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 3gq7_1_A DATA FIRST_RESID 87 DATA SEQUENCE HHFADLVIQV IDELKQFGVS VKTYGAKGDG VTDDIRAFEK AIESGFPVYV DATA SEQUENCE PYGTFMVSRG IKLPSNTVLT GAGKRNAVIR FMDSVGRGES LMYNENVTTG DATA SEQUENCE NENIFLSSFT LDGNNKRLGQ GISGIGGSRE SNLSIRACHN VYIRDIEAVD DATA SEQUENCE CTLHGIDITC GGLDYPYLGD GTTAPNPSEN IWIENCEATG FGDDGITTHH DATA SEQUENCE SQYINILNCY SHDPRLTANC NGFEIDDGSR HVVLSNNRSK GCYGGIEIKA DATA SEQUENCE HGDAPAAYNI SINGHMSVED VRSYNFRHIG HHAATAPQSV SAKNIVASNL DATA SEQUENCE VSIRPNNKRG FQDNATPRVL AVSAYYGVVI NGLTGYTDDP NLLTETVVSV DATA SEQUENCE QFRARNCSLN GVVLTGFSNS ENGIYVIGGS RGGDAVNISN VTLNNSGRYG DATA SEQUENCE VSIGSGIENV SITNISGIGD GINSPVALVS TINSNPEISG LSSIGYPTVA DATA SEQUENCE RVAGTDYNDG LTLFNGAFRA STTSSGKIHS EGFIMGSTSG CEASVSKSGV DATA SEQUENCE LTSSSSKTSS ERSLIAGSST SEAKGTYNTI LGSLGAVADE QFAALISASQ DATA SEQUENCE SRASGNHNLI LSSYGINTTG SYKVNGGFEK INWELDSLNG RIKARDTVTG DATA SEQUENCE GNTWS 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 87 H HA 0.000 nan 4.556 nan 0.000 0.296 87 H C 0.000 175.345 175.328 0.029 0.000 0.993 87 H CA 0.000 56.083 56.048 0.058 0.000 1.023 87 H CB 0.000 29.767 29.762 0.009 0.000 1.292 88 H N -0.201 118.908 119.070 0.064 0.000 2.423 88 H HA -0.068 4.488 4.556 0.000 0.000 0.297 88 H C 1.308 176.715 175.328 0.132 0.000 1.075 88 H CA 1.743 57.836 56.048 0.075 0.000 1.342 88 H CB 0.136 29.915 29.762 0.028 0.000 1.395 88 H HN 0.433 nan 8.280 nan 0.000 0.530 89 F N 1.674 121.713 119.950 0.149 0.000 2.084 89 F HA -0.113 4.414 4.527 0.000 0.000 0.296 89 F C 2.605 178.450 175.800 0.075 0.000 1.111 89 F CA 1.258 59.314 58.000 0.093 0.000 1.224 89 F CB -0.499 38.543 39.000 0.070 0.000 0.991 89 F HN 0.048 nan 8.300 nan 0.000 0.471 90 A N 0.316 123.102 122.820 -0.057 0.000 1.917 90 A HA -0.250 4.070 4.320 0.000 0.000 0.219 90 A C 2.024 179.510 177.584 -0.162 0.000 1.182 90 A CA 2.189 54.124 52.037 -0.171 0.000 0.633 90 A CB -1.211 17.802 19.000 0.020 0.000 0.819 90 A HN 0.504 nan 8.150 nan 0.000 0.448 91 D N -0.066 120.304 120.400 -0.050 0.000 2.123 91 D HA -0.128 4.512 4.640 0.000 0.000 0.196 91 D C 1.969 178.220 176.300 -0.082 0.000 0.992 91 D CA 1.055 55.028 54.000 -0.045 0.000 0.833 91 D CB -0.312 40.489 40.800 0.001 0.000 0.954 91 D HN 0.462 nan 8.370 nan 0.000 0.455 92 L N 0.296 121.460 121.223 -0.099 0.000 2.056 92 L HA -0.132 4.208 4.340 0.000 0.000 0.207 92 L C 2.559 179.322 176.870 -0.178 0.000 1.078 92 L CA 0.598 55.375 54.840 -0.105 0.000 0.749 92 L CB -0.393 41.632 42.059 -0.056 0.000 0.901 92 L HN -0.041 nan 8.230 nan 0.000 0.433 93 V N 0.450 120.162 119.914 -0.336 0.000 2.287 93 V HA -0.323 3.797 4.120 0.000 0.000 0.248 93 V C 2.371 178.363 176.094 -0.170 0.000 1.053 93 V CA 1.939 64.054 62.300 -0.308 0.000 1.027 93 V CB -0.348 31.188 31.823 -0.478 0.000 0.646 93 V HN 0.309 nan 8.190 nan 0.000 0.447 94 I N -0.421 120.059 120.570 -0.151 0.000 2.151 94 I HA -0.363 3.807 4.170 0.000 0.000 0.243 94 I C 2.721 178.788 176.117 -0.083 0.000 1.080 94 I CA 1.773 63.017 61.300 -0.093 0.000 1.339 94 I CB -0.478 37.474 38.000 -0.079 0.000 1.039 94 I HN 0.390 nan 8.210 nan 0.000 0.409 95 Q N 0.011 119.758 119.800 -0.088 0.000 2.112 95 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 95 Q C 2.409 178.364 176.000 -0.075 0.000 0.987 95 Q CA 1.748 57.503 55.803 -0.080 0.000 0.858 95 Q CB -0.180 28.518 28.738 -0.067 0.000 0.905 95 Q HN 0.422 nan 8.270 nan 0.000 0.420 96 V N 0.794 120.664 119.914 -0.073 0.000 2.307 96 V HA -0.259 3.861 4.120 0.000 0.000 0.245 96 V C 2.113 178.173 176.094 -0.057 0.000 1.045 96 V CA 1.581 63.844 62.300 -0.061 0.000 1.024 96 V CB -0.461 31.327 31.823 -0.058 0.000 0.651 96 V HN 0.334 nan 8.190 nan 0.000 0.449 97 I N 0.292 120.829 120.570 -0.055 0.000 2.163 97 I HA -0.254 3.916 4.170 0.000 0.000 0.243 97 I C 2.316 178.412 176.117 -0.036 0.000 1.085 97 I CA 1.738 63.017 61.300 -0.036 0.000 1.347 97 I CB -0.621 37.368 38.000 -0.017 0.000 1.044 97 I HN 0.295 nan 8.210 nan 0.000 0.408 98 D N 0.829 121.198 120.400 -0.051 0.000 2.116 98 D HA -0.220 4.420 4.640 0.000 0.000 0.193 98 D C 2.088 178.330 176.300 -0.098 0.000 0.998 98 D CA 1.355 55.311 54.000 -0.073 0.000 0.836 98 D CB -0.314 40.419 40.800 -0.111 0.000 0.951 98 D HN 0.414 nan 8.370 nan 0.000 0.449 99 E N -0.179 119.965 120.200 -0.093 0.000 2.204 99 E HA -0.053 4.297 4.350 0.000 0.000 0.194 99 E C 2.189 178.739 176.600 -0.084 0.000 0.989 99 E CA 0.036 56.379 56.400 -0.096 0.000 0.824 99 E CB 0.008 29.665 29.700 -0.072 0.000 0.756 99 E HN 0.274 nan 8.360 nan 0.000 0.477 100 L N 0.595 121.776 121.223 -0.071 0.000 2.201 100 L HA -0.123 4.217 4.340 0.000 0.000 0.212 100 L C 0.481 177.302 176.870 -0.080 0.000 1.105 100 L CA 0.797 55.596 54.840 -0.069 0.000 0.775 100 L CB -0.192 41.828 42.059 -0.066 0.000 0.913 100 L HN 0.076 nan 8.230 nan 0.000 0.440 101 K N 0.459 120.811 120.400 -0.080 0.000 3.451 101 K HA -0.268 4.052 4.320 0.000 0.000 0.273 101 K C 0.955 177.503 176.600 -0.086 0.000 0.944 101 K CA 0.107 56.349 56.287 -0.076 0.000 0.734 101 K CB -0.942 31.487 32.500 -0.117 0.000 1.437 101 K HN 0.471 nan 8.250 nan 0.000 0.454 102 Q N -0.672 119.045 119.800 -0.137 0.000 2.167 102 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 102 Q C 1.019 176.732 176.000 -0.478 0.000 0.970 102 Q CA 1.417 57.015 55.803 -0.341 0.000 0.855 102 Q CB 0.035 28.475 28.738 -0.496 0.000 0.911 102 Q HN 0.553 nan 8.270 nan 0.000 0.438 103 F N -1.095 118.734 119.950 -0.202 0.000 2.678 103 F HA 0.309 4.836 4.527 0.000 0.000 0.305 103 F C 1.260 177.002 175.800 -0.097 0.000 1.090 103 F CA 0.318 58.153 58.000 -0.275 0.000 1.272 103 F CB 1.070 39.651 39.000 -0.699 0.000 1.060 103 F HN 0.103 nan 8.300 nan 0.000 0.576 104 G N 0.549 109.412 108.800 0.106 0.000 2.460 104 G HA2 -0.034 3.926 3.960 0.000 0.000 0.207 104 G HA3 -0.034 3.926 3.960 0.000 0.000 0.207 104 G C -1.036 173.911 174.900 0.077 0.000 1.170 104 G CA -0.568 44.604 45.100 0.120 0.000 1.151 104 G HN 0.509 nan 8.290 nan 0.000 0.575 105 V N -1.635 118.338 119.914 0.099 0.000 2.417 105 V HA 0.821 4.941 4.120 0.000 0.000 0.291 105 V C 0.602 176.775 176.094 0.132 0.000 1.024 105 V CA 0.348 62.693 62.300 0.076 0.000 0.861 105 V CB 1.131 33.010 31.823 0.093 0.000 0.985 105 V HN 1.947 nan 8.190 nan 0.000 0.436 106 S N 3.201 118.974 115.700 0.122 0.000 2.565 106 S HA 0.253 4.723 4.470 0.000 0.000 0.276 106 S C 1.266 175.869 174.600 0.005 0.000 1.326 106 S CA -0.104 58.138 58.200 0.069 0.000 1.045 106 S CB 1.372 64.627 63.200 0.091 0.000 0.918 106 S HN 1.785 nan 8.310 nan 0.000 0.505 107 V N 3.858 123.640 119.914 -0.219 0.000 2.594 107 V HA -0.098 4.022 4.120 0.000 0.000 0.253 107 V C 2.099 178.142 176.094 -0.085 0.000 1.069 107 V CA 1.499 63.608 62.300 -0.318 0.000 1.082 107 V CB -0.920 30.313 31.823 -0.982 0.000 0.680 107 V HN 0.868 nan 8.190 nan 0.000 0.469 108 K N 0.554 120.933 120.400 -0.036 0.000 2.209 108 K HA -0.093 4.227 4.320 0.000 0.000 0.204 108 K C 2.225 178.827 176.600 0.002 0.000 1.048 108 K CA 1.722 58.032 56.287 0.039 0.000 0.940 108 K CB -0.523 32.016 32.500 0.065 0.000 0.729 108 K HN 0.582 nan 8.250 nan 0.000 0.451 109 T N 0.402 114.938 114.554 -0.029 0.000 2.849 109 T HA -0.142 4.208 4.350 0.000 0.000 0.270 109 T C 0.991 175.506 174.700 -0.308 0.000 1.066 109 T CA 1.250 63.246 62.100 -0.175 0.000 1.130 109 T CB -0.176 68.547 68.868 -0.242 0.000 0.864 109 T HN 0.248 nan 8.240 nan 0.000 0.481 110 Y N 0.212 120.476 120.300 -0.060 0.000 2.493 110 Y HA 0.448 4.998 4.550 0.000 0.000 0.275 110 Y C 1.746 177.635 175.900 -0.019 0.000 1.183 110 Y CA -0.272 57.803 58.100 -0.042 0.000 1.258 110 Y CB 0.224 38.650 38.460 -0.057 0.000 1.108 110 Y HN 0.280 nan 8.280 nan 0.000 0.521 111 G N -0.443 108.403 108.800 0.075 0.000 2.184 111 G HA2 -0.147 3.813 3.960 0.000 0.000 0.206 111 G HA3 -0.147 3.813 3.960 0.000 0.000 0.206 111 G C 0.319 175.273 174.900 0.089 0.000 0.995 111 G CA -0.355 44.783 45.100 0.065 0.000 0.651 111 G HN 0.544 nan 8.290 nan 0.000 0.511 112 A N 0.226 123.116 122.820 0.117 0.000 2.511 112 A HA 0.618 4.938 4.320 0.000 0.000 0.242 112 A C 1.403 179.090 177.584 0.172 0.000 1.069 112 A CA 0.949 53.108 52.037 0.204 0.000 0.763 112 A CB 0.465 19.619 19.000 0.256 0.000 1.001 112 A HN 0.154 nan 8.150 nan 0.000 0.498 113 K N 1.936 122.404 120.400 0.113 0.000 2.244 113 K HA 0.122 4.442 4.320 0.000 0.000 0.200 113 K C 1.291 177.762 176.600 -0.214 0.000 1.052 113 K CA 0.916 57.191 56.287 -0.019 0.000 0.980 113 K CB -0.331 32.148 32.500 -0.035 0.000 0.838 113 K HN 1.598 nan 8.250 nan 0.000 0.481 114 G N 4.135 112.655 108.800 -0.466 0.000 2.366 114 G HA2 -0.242 3.718 3.960 0.000 0.000 0.299 114 G HA3 -0.242 3.718 3.960 0.000 0.000 0.299 114 G C -0.045 174.435 174.900 -0.700 0.000 1.020 114 G CA 0.954 45.272 45.100 -1.302 0.000 1.026 114 G HN 0.460 nan 8.290 nan 0.000 0.512 115 D N -1.654 118.523 120.400 -0.372 0.000 2.395 115 D HA 0.378 5.018 4.640 0.000 0.000 0.213 115 D C 1.745 177.943 176.300 -0.170 0.000 1.110 115 D CA 0.300 54.165 54.000 -0.224 0.000 0.835 115 D CB -0.331 40.392 40.800 -0.129 0.000 0.965 115 D HN 1.396 nan 8.370 nan 0.000 0.505 116 G N -0.497 108.187 108.800 -0.194 0.000 2.168 116 G HA2 -0.318 3.642 3.960 0.000 0.000 0.263 116 G HA3 -0.318 3.642 3.960 0.000 0.000 0.263 116 G C 0.786 175.647 174.900 -0.065 0.000 0.977 116 G CA 0.681 45.711 45.100 -0.117 0.000 0.659 116 G HN 0.410 nan 8.290 nan 0.000 0.533 117 V N -0.736 119.141 119.914 -0.061 0.000 3.177 117 V HA 0.206 4.326 4.120 0.000 0.000 0.219 117 V C 1.571 177.655 176.094 -0.017 0.000 1.344 117 V CA 1.344 63.626 62.300 -0.031 0.000 1.324 117 V CB -0.035 31.772 31.823 -0.027 0.000 1.165 117 V HN 0.308 nan 8.190 nan 0.000 0.510 118 T N 2.168 116.709 114.554 -0.021 0.000 2.930 118 T HA 0.113 4.463 4.350 0.000 0.000 0.306 118 T C -0.274 174.440 174.700 0.024 0.000 1.045 118 T CA 0.339 62.440 62.100 0.002 0.000 1.134 118 T CB 0.581 69.450 68.868 0.002 0.000 0.961 118 T HN 0.317 nan 8.240 nan 0.000 0.545 119 D N 1.781 122.202 120.400 0.036 0.000 2.338 119 D HA 0.062 4.702 4.640 0.000 0.000 0.255 119 D C 0.150 176.502 176.300 0.087 0.000 1.237 119 D CA -0.367 53.664 54.000 0.053 0.000 0.883 119 D CB 0.481 41.307 40.800 0.044 0.000 1.087 119 D HN 0.323 nan 8.370 nan 0.000 0.485 120 D N 3.691 124.167 120.400 0.128 0.000 2.368 120 D HA -0.014 4.626 4.640 0.000 0.000 0.218 120 D C 1.737 178.193 176.300 0.261 0.000 1.112 120 D CA -0.253 53.888 54.000 0.235 0.000 0.834 120 D CB 0.311 41.365 40.800 0.424 0.000 0.953 120 D HN 0.424 nan 8.370 nan 0.000 0.505 121 I N 1.152 121.799 120.570 0.128 0.000 2.264 121 I HA -0.248 3.922 4.170 0.000 0.000 0.248 121 I C 1.985 178.181 176.117 0.132 0.000 1.111 121 I CA 1.477 62.831 61.300 0.091 0.000 1.382 121 I CB 0.171 38.194 38.000 0.038 0.000 1.060 121 I HN -0.186 nan 8.210 nan 0.000 0.418 122 R N 0.645 121.213 120.500 0.113 0.000 2.092 122 R HA 0.020 4.360 4.340 0.000 0.000 0.231 122 R C 2.248 178.606 176.300 0.097 0.000 1.119 122 R CA 1.314 57.467 56.100 0.089 0.000 0.970 122 R CB -1.272 29.073 30.300 0.075 0.000 0.864 122 R HN 0.500 nan 8.270 nan 0.000 0.440 123 A N 0.362 123.263 122.820 0.135 0.000 1.902 123 A HA -0.136 4.184 4.320 0.000 0.000 0.217 123 A C 2.063 179.625 177.584 -0.036 0.000 1.181 123 A CA 1.126 53.222 52.037 0.099 0.000 0.623 123 A CB -0.652 18.417 19.000 0.116 0.000 0.818 123 A HN 0.178 nan 8.150 nan 0.000 0.443 124 F N 0.294 120.192 119.950 -0.087 0.000 2.102 124 F HA -0.153 4.374 4.527 0.000 0.000 0.298 124 F C 2.495 178.194 175.800 -0.169 0.000 1.105 124 F CA 1.989 59.895 58.000 -0.157 0.000 1.239 124 F CB -0.450 38.454 39.000 -0.159 0.000 0.991 124 F HN 0.314 nan 8.300 nan 0.000 0.474 125 E N 0.043 120.280 120.200 0.061 0.000 2.051 125 E HA -0.229 4.121 4.350 0.000 0.000 0.192 125 E C 2.125 178.664 176.600 -0.100 0.000 0.991 125 E CA 1.408 57.796 56.400 -0.020 0.000 0.799 125 E CB -0.184 29.515 29.700 -0.001 0.000 0.748 125 E HN 0.405 nan 8.360 nan 0.000 0.449 126 K N 0.504 120.825 120.400 -0.131 0.000 2.026 126 K HA -0.107 4.213 4.320 0.000 0.000 0.208 126 K C 2.244 178.472 176.600 -0.619 0.000 1.048 126 K CA 1.077 57.227 56.287 -0.229 0.000 0.929 126 K CB -0.164 32.304 32.500 -0.052 0.000 0.713 126 K HN 0.048 nan 8.250 nan 0.000 0.439 127 A N 1.510 123.797 122.820 -0.888 0.000 1.883 127 A HA -0.168 4.152 4.320 0.000 0.000 0.217 127 A C 2.141 179.484 177.584 -0.402 0.000 1.186 127 A CA 1.430 52.877 52.037 -0.983 0.000 0.624 127 A CB -0.640 17.962 19.000 -0.663 0.000 0.822 127 A HN 0.193 nan 8.150 nan 0.000 0.444 128 I N 0.262 120.679 120.570 -0.255 0.000 2.394 128 I HA -0.248 3.922 4.170 0.000 0.000 0.251 128 I C 2.483 178.543 176.117 -0.095 0.000 1.136 128 I CA 1.675 62.901 61.300 -0.124 0.000 1.425 128 I CB -0.295 37.659 38.000 -0.077 0.000 1.079 128 I HN 0.653 nan 8.210 nan 0.000 0.425 129 E N 0.718 120.851 120.200 -0.113 0.000 2.481 129 E HA -0.122 4.228 4.350 0.000 0.000 0.195 129 E C 1.918 178.486 176.600 -0.052 0.000 1.047 129 E CA 1.018 57.375 56.400 -0.070 0.000 0.867 129 E CB -0.141 29.526 29.700 -0.056 0.000 0.858 129 E HN 0.477 nan 8.360 nan 0.000 0.513 130 S N 0.202 115.872 115.700 -0.050 0.000 2.453 130 S HA 0.090 4.560 4.470 0.000 0.000 0.231 130 S C 1.841 176.412 174.600 -0.048 0.000 1.005 130 S CA 0.669 58.903 58.200 0.058 0.000 0.949 130 S CB -0.258 63.090 63.200 0.246 0.000 0.774 130 S HN 0.618 nan 8.310 nan 0.000 0.510 131 G N -0.090 108.656 108.800 -0.090 0.000 2.176 131 G HA2 -0.222 3.738 3.960 0.000 0.000 0.253 131 G HA3 -0.222 3.738 3.960 0.000 0.000 0.253 131 G C -0.067 174.666 174.900 -0.277 0.000 0.979 131 G CA 0.139 45.115 45.100 -0.205 0.000 0.641 131 G HN 0.521 nan 8.290 nan 0.000 0.530 132 F N 1.278 121.241 119.950 0.021 0.000 2.399 132 F HA 0.577 5.104 4.527 0.000 0.000 0.328 132 F C -1.607 174.217 175.800 0.040 0.000 1.084 132 F CA -2.393 55.630 58.000 0.040 0.000 1.053 132 F CB 0.996 40.034 39.000 0.063 0.000 1.209 132 F HN -0.188 nan 8.300 nan 0.000 0.502 133 P HA 0.069 nan 4.420 nan 0.000 0.265 133 P C -0.994 176.417 177.300 0.186 0.000 1.193 133 P CA 0.012 63.227 63.100 0.193 0.000 0.765 133 P CB 0.521 32.326 31.700 0.175 0.000 0.823 134 V N 4.492 124.485 119.914 0.131 0.000 2.435 134 V HA 0.299 4.419 4.120 0.000 0.000 0.290 134 V C -0.529 175.620 176.094 0.093 0.000 1.030 134 V CA -0.484 61.853 62.300 0.062 0.000 0.881 134 V CB 0.986 32.775 31.823 -0.057 0.000 0.983 134 V HN 0.413 nan 8.190 nan 0.000 0.445 135 Y N 4.319 124.565 120.300 -0.090 0.000 2.377 135 Y HA 0.693 5.243 4.550 0.000 0.000 0.339 135 Y C -0.475 175.251 175.900 -0.289 0.000 1.011 135 Y CA -0.942 57.074 58.100 -0.140 0.000 1.093 135 Y CB 1.992 40.377 38.460 -0.125 0.000 1.201 135 Y HN 0.369 nan 8.280 nan 0.000 0.455 136 V N 9.049 128.378 119.914 -0.975 0.000 2.334 136 V HA 0.397 4.517 4.120 0.000 0.000 0.281 136 V C -2.155 173.264 176.094 -1.125 0.000 1.016 136 V CA -1.683 60.033 62.300 -0.973 0.000 0.832 136 V CB 0.879 32.260 31.823 -0.736 0.000 0.999 136 V HN 0.693 nan 8.190 nan 0.000 0.439 137 P HA 0.154 nan 4.420 nan 0.000 0.302 137 P C -0.529 176.801 177.300 0.049 0.000 1.307 137 P CA -0.627 62.253 63.100 -0.367 0.000 0.754 137 P CB 0.654 32.324 31.700 -0.049 0.000 1.298 138 Y N 0.162 120.497 120.300 0.059 0.000 2.811 138 Y HA 0.342 4.892 4.550 0.000 0.000 0.334 138 Y C 0.507 176.475 175.900 0.115 0.000 1.247 138 Y CA 1.866 60.024 58.100 0.097 0.000 1.526 138 Y CB -0.660 37.834 38.460 0.057 0.000 1.284 138 Y HN 0.807 nan 8.280 nan 0.000 0.586 139 G N 3.241 111.474 108.800 -0.946 0.000 2.350 139 G HA2 0.225 4.185 3.960 0.000 0.000 0.304 139 G HA3 0.225 4.185 3.960 0.000 0.000 0.304 139 G C -1.543 172.944 174.900 -0.689 0.000 1.421 139 G CA -0.754 43.646 45.100 -1.166 0.000 0.934 139 G HN 0.636 nan 8.290 nan 0.000 0.632 140 T N 1.362 115.520 114.554 -0.660 0.000 2.801 140 T HA 0.534 4.884 4.350 0.000 0.000 0.306 140 T C -0.748 173.711 174.700 -0.402 0.000 1.020 140 T CA 0.027 61.930 62.100 -0.328 0.000 0.948 140 T CB 0.172 68.923 68.868 -0.194 0.000 0.962 140 T HN 0.339 nan 8.240 nan 0.000 0.465 141 F N 4.210 124.107 119.950 -0.088 0.000 2.350 141 F HA 0.415 4.942 4.527 0.000 0.000 0.365 141 F C 0.655 176.386 175.800 -0.115 0.000 1.122 141 F CA -1.162 56.811 58.000 -0.045 0.000 1.139 141 F CB 0.611 39.667 39.000 0.093 0.000 1.220 141 F HN 0.199 nan 8.300 nan 0.000 0.499 142 M N 3.268 122.889 119.600 0.035 0.000 2.250 142 M HA 0.432 4.912 4.480 0.000 0.000 0.344 142 M C -0.449 175.853 176.300 0.004 0.000 1.150 142 M CA -0.530 54.775 55.300 0.008 0.000 1.147 142 M CB 1.363 33.968 32.600 0.008 0.000 1.498 142 M HN 0.256 nan 8.290 nan 0.000 0.461 143 V N 1.823 121.746 119.914 0.014 0.000 2.733 143 V HA 0.272 4.392 4.120 0.000 0.000 0.306 143 V C 0.567 176.754 176.094 0.155 0.000 1.084 143 V CA -0.301 62.008 62.300 0.016 0.000 0.905 143 V CB 2.393 34.121 31.823 -0.157 0.000 1.010 143 V HN 1.042 nan 8.190 nan 0.000 0.424 144 S N 4.677 120.442 115.700 0.108 0.000 2.575 144 S HA 0.259 4.729 4.470 0.000 0.000 0.215 144 S C 0.482 175.134 174.600 0.088 0.000 0.966 144 S CA -0.167 58.083 58.200 0.083 0.000 0.911 144 S CB 0.055 63.278 63.200 0.038 0.000 0.780 144 S HN 0.852 nan 8.310 nan 0.000 0.514 145 R N -1.074 119.536 120.500 0.184 0.000 2.733 145 R HA 0.667 5.007 4.340 0.000 0.000 0.272 145 R C -0.020 176.495 176.300 0.359 0.000 1.029 145 R CA -0.787 55.453 56.100 0.233 0.000 0.888 145 R CB 0.038 30.405 30.300 0.112 0.000 1.251 145 R HN 0.021 nan 8.270 nan 0.000 0.464 146 G N 1.007 110.048 108.800 0.401 0.000 2.491 146 G HA2 0.304 4.264 3.960 0.000 0.000 0.238 146 G HA3 0.304 4.264 3.960 0.000 0.000 0.238 146 G C -0.109 174.785 174.900 -0.011 0.000 1.277 146 G CA -0.739 44.532 45.100 0.285 0.000 0.851 146 G HN 0.435 nan 8.290 nan 0.000 0.573 147 I N 1.358 121.837 120.570 -0.152 0.000 2.322 147 I HA 0.140 4.310 4.170 0.000 0.000 0.292 147 I C 0.362 176.274 176.117 -0.341 0.000 1.060 147 I CA -0.249 60.918 61.300 -0.222 0.000 1.309 147 I CB 1.004 38.853 38.000 -0.252 0.000 1.415 147 I HN 0.232 nan 8.210 nan 0.000 0.492 148 K N 6.808 127.001 120.400 -0.346 0.000 2.227 148 K HA 0.537 4.857 4.320 0.000 0.000 0.280 148 K C -0.957 175.507 176.600 -0.227 0.000 1.041 148 K CA -0.173 55.854 56.287 -0.433 0.000 0.905 148 K CB 0.915 33.205 32.500 -0.349 0.000 1.068 148 K HN 0.473 nan 8.250 nan 0.000 0.470 149 L N 6.677 127.784 121.223 -0.193 0.000 2.287 149 L HA 0.484 4.824 4.340 0.000 0.000 0.287 149 L C -2.021 174.809 176.870 -0.066 0.000 1.022 149 L CA -2.126 52.659 54.840 -0.092 0.000 0.814 149 L CB 1.334 43.364 42.059 -0.050 0.000 1.217 149 L HN 0.519 nan 8.230 nan 0.000 0.420 150 P HA 0.206 nan 4.420 nan 0.000 0.279 150 P C -0.400 176.883 177.300 -0.029 0.000 1.276 150 P CA -0.532 62.547 63.100 -0.036 0.000 0.801 150 P CB 0.899 32.578 31.700 -0.034 0.000 1.127 151 S N 0.356 116.043 115.700 -0.022 0.000 2.576 151 S HA 0.039 4.509 4.470 0.000 0.000 0.272 151 S C 0.546 175.138 174.600 -0.014 0.000 1.352 151 S CA -0.016 58.171 58.200 -0.022 0.000 1.021 151 S CB -0.878 62.315 63.200 -0.012 0.000 0.887 151 S HN 0.553 nan 8.310 nan 0.000 0.542 152 N N 0.373 119.066 118.700 -0.011 0.000 2.738 152 N HA -0.137 4.603 4.740 0.000 0.000 0.249 152 N C -0.861 174.684 175.510 0.058 0.000 1.047 152 N CA 0.731 53.807 53.050 0.043 0.000 0.707 152 N CB -1.657 36.861 38.487 0.052 0.000 0.937 152 N HN 0.525 nan 8.380 nan 0.000 0.545 153 T N 0.437 115.006 114.554 0.024 0.000 2.795 153 T HA 0.494 4.844 4.350 0.000 0.000 0.282 153 T C 0.488 175.287 174.700 0.165 0.000 0.980 153 T CA -0.407 61.730 62.100 0.062 0.000 1.012 153 T CB 2.402 71.281 68.868 0.019 0.000 0.936 153 T HN -0.045 nan 8.240 nan 0.000 0.457 154 V N 4.923 124.962 119.914 0.208 0.000 2.378 154 V HA 0.525 4.645 4.120 0.000 0.000 0.288 154 V C -0.730 175.481 176.094 0.195 0.000 1.016 154 V CA -0.778 61.684 62.300 0.271 0.000 0.840 154 V CB 1.328 33.297 31.823 0.244 0.000 0.994 154 V HN 0.632 nan 8.190 nan 0.000 0.431 155 L N 5.532 126.888 121.223 0.222 0.000 2.372 155 L HA 0.770 5.110 4.340 0.000 0.000 0.273 155 L C -0.206 176.844 176.870 0.300 0.000 0.989 155 L CA 0.458 55.412 54.840 0.190 0.000 0.841 155 L CB 2.018 44.162 42.059 0.143 0.000 1.225 155 L HN 0.685 nan 8.230 nan 0.000 0.414 156 T N 3.505 118.209 114.554 0.249 0.000 2.861 156 T HA 0.814 5.164 4.350 0.000 0.000 0.287 156 T C 0.084 174.907 174.700 0.205 0.000 1.003 156 T CA -0.361 61.925 62.100 0.309 0.000 0.977 156 T CB 1.680 70.741 68.868 0.323 0.000 0.996 156 T HN 0.744 nan 8.240 nan 0.000 0.448 157 G N 0.258 109.215 108.800 0.262 0.000 2.601 157 G HA2 0.595 4.555 3.960 0.000 0.000 0.317 157 G HA3 0.595 4.555 3.960 0.000 0.000 0.317 157 G C 0.837 175.771 174.900 0.057 0.000 1.246 157 G CA -0.429 44.681 45.100 0.017 0.000 1.012 157 G HN 0.791 nan 8.290 nan 0.000 0.494 158 A N -1.542 121.248 122.820 -0.050 0.000 2.167 158 A HA 0.551 4.871 4.320 0.000 0.000 0.214 158 A C 1.297 178.982 177.584 0.169 0.000 1.151 158 A CA 1.522 53.637 52.037 0.130 0.000 0.735 158 A CB -0.687 18.379 19.000 0.111 0.000 0.802 158 A HN 2.366 nan 8.150 nan 0.000 0.467 159 G N -0.493 108.403 108.800 0.159 0.000 2.326 159 G HA2 0.261 4.221 3.960 0.000 0.000 0.413 159 G HA3 0.261 4.221 3.960 0.000 0.000 0.413 159 G C -0.591 174.398 174.900 0.149 0.000 1.444 159 G CA -0.520 44.668 45.100 0.146 0.000 1.002 159 G HN 0.784 nan 8.290 nan 0.000 0.649 160 K N 0.170 120.641 120.400 0.118 0.000 2.436 160 K HA 0.460 4.780 4.320 0.000 0.000 0.275 160 K C 0.848 177.526 176.600 0.130 0.000 0.999 160 K CA 0.523 56.880 56.287 0.118 0.000 0.980 160 K CB 0.461 33.017 32.500 0.092 0.000 0.919 160 K HN 0.865 nan 8.250 nan 0.000 0.484 161 R N -0.013 120.567 120.500 0.133 0.000 3.758 161 R HA -0.267 4.073 4.340 0.000 0.000 0.299 161 R C 0.121 176.522 176.300 0.168 0.000 1.182 161 R CA 1.032 57.212 56.100 0.133 0.000 0.809 161 R CB -1.877 28.493 30.300 0.116 0.000 1.249 161 R HN 0.939 nan 8.270 nan 0.000 0.497 162 N N -0.062 118.750 118.700 0.187 0.000 3.233 162 N HA 0.141 4.881 4.740 0.000 0.000 0.244 162 N C -0.500 175.136 175.510 0.211 0.000 1.007 162 N CA 0.890 54.096 53.050 0.259 0.000 1.103 162 N CB 0.277 38.898 38.487 0.222 0.000 1.573 162 N HN 0.215 nan 8.380 nan 0.000 0.694 163 A N 2.075 125.001 122.820 0.176 0.000 2.310 163 A HA 0.579 4.899 4.320 0.000 0.000 0.300 163 A C -0.646 177.056 177.584 0.196 0.000 1.269 163 A CA -0.245 51.893 52.037 0.168 0.000 0.909 163 A CB 0.125 19.169 19.000 0.072 0.000 1.144 163 A HN 0.087 nan 8.150 nan 0.000 0.540 164 V N 4.797 124.826 119.914 0.192 0.000 2.487 164 V HA 0.408 4.528 4.120 0.000 0.000 0.298 164 V C -0.247 175.936 176.094 0.149 0.000 1.028 164 V CA -0.256 62.132 62.300 0.147 0.000 0.860 164 V CB 1.520 33.389 31.823 0.077 0.000 0.991 164 V HN 0.765 nan 8.190 nan 0.000 0.427 165 I N 4.928 125.532 120.570 0.056 0.000 2.404 165 I HA 0.666 4.836 4.170 0.000 0.000 0.293 165 I C -0.058 176.001 176.117 -0.097 0.000 0.992 165 I CA -0.485 60.767 61.300 -0.079 0.000 1.149 165 I CB 1.678 39.510 38.000 -0.280 0.000 1.315 165 I HN 0.556 nan 8.210 nan 0.000 0.446 166 R N 5.834 126.265 120.500 -0.116 0.000 2.548 166 R HA 0.440 4.780 4.340 0.000 0.000 0.280 166 R C -1.452 174.835 176.300 -0.021 0.000 1.061 166 R CA -0.615 55.445 56.100 -0.066 0.000 0.915 166 R CB 1.657 31.954 30.300 -0.004 0.000 1.210 166 R HN 0.434 nan 8.270 nan 0.000 0.442 167 F N 4.259 124.190 119.950 -0.032 0.000 2.572 167 F HA 0.107 4.634 4.527 0.000 0.000 0.370 167 F C 1.121 176.905 175.800 -0.025 0.000 1.103 167 F CA -0.052 57.931 58.000 -0.030 0.000 1.286 167 F CB 0.828 39.819 39.000 -0.016 0.000 1.105 167 F HN 0.304 nan 8.300 nan 0.000 0.583 168 M N 3.261 122.990 119.600 0.214 0.000 2.240 168 M HA -0.040 4.440 4.480 0.000 0.000 0.333 168 M C 1.124 177.445 176.300 0.036 0.000 1.110 168 M CA -0.165 55.185 55.300 0.083 0.000 1.173 168 M CB 0.401 33.031 32.600 0.050 0.000 1.458 168 M HN 0.546 nan 8.290 nan 0.000 0.458 169 D N 0.268 120.678 120.400 0.016 0.000 2.221 169 D HA -0.124 4.516 4.640 0.000 0.000 0.204 169 D C 1.818 178.097 176.300 -0.034 0.000 0.982 169 D CA 1.782 55.779 54.000 -0.005 0.000 0.857 169 D CB -0.102 40.697 40.800 -0.003 0.000 0.934 169 D HN 0.685 nan 8.370 nan 0.000 0.475 170 S N -0.400 115.277 115.700 -0.038 0.000 2.562 170 S HA 0.039 4.509 4.470 0.000 0.000 0.221 170 S C 0.994 175.536 174.600 -0.097 0.000 0.975 170 S CA -0.341 57.827 58.200 -0.054 0.000 0.918 170 S CB -0.078 63.101 63.200 -0.035 0.000 0.772 170 S HN -0.079 nan 8.310 nan 0.000 0.531 171 V N 2.707 122.529 119.914 -0.153 0.000 2.599 171 V HA 0.396 4.516 4.120 0.000 0.000 0.300 171 V C 1.510 177.448 176.094 -0.260 0.000 1.034 171 V CA 0.260 62.391 62.300 -0.281 0.000 1.115 171 V CB 0.010 31.461 31.823 -0.620 0.000 0.934 171 V HN 0.502 nan 8.190 nan 0.000 0.485 172 G N 5.396 114.065 108.800 -0.219 0.000 2.546 172 G HA2 0.371 4.331 3.960 0.000 0.000 0.239 172 G HA3 0.371 4.331 3.960 0.000 0.000 0.239 172 G C -0.044 174.742 174.900 -0.191 0.000 1.476 172 G CA -0.646 44.355 45.100 -0.165 0.000 1.064 172 G HN 0.549 nan 8.290 nan 0.000 0.561 173 R N -1.145 119.278 120.500 -0.129 0.000 2.598 173 R HA 0.592 4.932 4.340 0.000 0.000 0.279 173 R C 0.655 176.897 176.300 -0.096 0.000 0.984 173 R CA -0.036 55.999 56.100 -0.110 0.000 0.999 173 R CB 0.879 31.132 30.300 -0.077 0.000 1.114 173 R HN 1.220 nan 8.270 nan 0.000 0.493 174 G N 0.554 109.304 108.800 -0.084 0.000 2.284 174 G HA2 -0.186 3.774 3.960 0.000 0.000 0.201 174 G HA3 -0.186 3.774 3.960 0.000 0.000 0.201 174 G C -0.175 174.673 174.900 -0.088 0.000 0.998 174 G CA -0.420 44.632 45.100 -0.080 0.000 0.651 174 G HN 0.460 nan 8.290 nan 0.000 0.489 175 E N 1.027 121.201 120.200 -0.043 0.000 2.195 175 E HA 0.590 4.940 4.350 0.000 0.000 0.271 175 E C -0.338 176.334 176.600 0.120 0.000 0.923 175 E CA -0.460 55.942 56.400 0.003 0.000 0.790 175 E CB 1.654 31.469 29.700 0.193 0.000 1.155 175 E HN 0.172 nan 8.360 nan 0.000 0.402 176 S N 1.956 117.642 115.700 -0.022 0.000 2.585 176 S HA -0.020 4.450 4.470 0.000 0.000 0.273 176 S C 1.035 175.797 174.600 0.271 0.000 1.339 176 S CA -0.477 57.793 58.200 0.116 0.000 1.028 176 S CB 0.723 63.936 63.200 0.021 0.000 0.906 176 S HN 0.480 nan 8.310 nan 0.000 0.528 177 L N 1.853 123.092 121.223 0.026 0.000 2.083 177 L HA 0.234 4.574 4.340 0.000 0.000 0.209 177 L C 0.644 177.420 176.870 -0.158 0.000 1.083 177 L CA 1.758 56.330 54.840 -0.447 0.000 0.752 177 L CB -0.202 41.461 42.059 -0.661 0.000 0.899 177 L HN 0.732 nan 8.230 nan 0.000 0.433 178 M N -0.575 119.049 119.600 0.040 0.000 2.326 178 M HA 0.442 4.922 4.480 0.000 0.000 0.292 178 M C -1.903 174.531 176.300 0.223 0.000 1.081 178 M CA -0.837 54.492 55.300 0.049 0.000 0.919 178 M CB 1.870 34.479 32.600 0.015 0.000 1.634 178 M HN 0.174 nan 8.290 nan 0.000 0.451 179 Y N 1.196 121.498 120.300 0.003 0.000 2.677 179 Y HA 0.537 5.087 4.550 0.000 0.000 0.334 179 Y C -1.468 174.441 175.900 0.014 0.000 1.196 179 Y CA -1.662 56.447 58.100 0.016 0.000 1.059 179 Y CB 0.374 38.844 38.460 0.017 0.000 1.315 179 Y HN 0.821 nan 8.280 nan 0.000 0.455 180 N N -0.037 118.736 118.700 0.122 0.000 2.530 180 N HA 0.239 4.979 4.740 0.000 0.000 0.273 180 N C 0.424 175.953 175.510 0.032 0.000 1.173 180 N CA -0.035 53.032 53.050 0.029 0.000 0.967 180 N CB 1.621 40.142 38.487 0.057 0.000 1.109 180 N HN 0.825 nan 8.380 nan 0.000 0.453 181 E N 0.860 121.032 120.200 -0.045 0.000 2.110 181 E HA -0.266 4.084 4.350 0.000 0.000 0.193 181 E C 0.035 176.664 176.600 0.048 0.000 0.988 181 E CA 1.012 57.390 56.400 -0.037 0.000 0.804 181 E CB -0.163 29.502 29.700 -0.060 0.000 0.745 181 E HN 0.619 nan 8.360 nan 0.000 0.458 182 N N 0.835 119.561 118.700 0.043 0.000 2.602 182 N HA 0.036 4.776 4.740 0.000 0.000 0.238 182 N C 0.218 175.766 175.510 0.063 0.000 1.084 182 N CA -0.100 52.977 53.050 0.045 0.000 0.952 182 N CB 1.225 39.726 38.487 0.024 0.000 1.244 182 N HN 0.036 nan 8.380 nan 0.000 0.512 183 V N 2.272 122.233 119.914 0.077 0.000 2.809 183 V HA -0.159 3.961 4.120 0.000 0.000 0.256 183 V C 2.211 178.319 176.094 0.024 0.000 1.080 183 V CA 2.239 64.579 62.300 0.066 0.000 1.102 183 V CB -0.563 31.294 31.823 0.056 0.000 0.705 183 V HN 0.783 nan 8.190 nan 0.000 0.475 184 T N -2.710 111.855 114.554 0.018 0.000 3.004 184 T HA -0.069 4.281 4.350 0.000 0.000 0.243 184 T C 1.619 176.324 174.700 0.009 0.000 1.020 184 T CA 1.263 63.365 62.100 0.003 0.000 1.145 184 T CB -0.145 68.722 68.868 -0.002 0.000 0.876 184 T HN 0.516 nan 8.240 nan 0.000 0.449 185 T N -1.736 112.828 114.554 0.016 0.000 3.040 185 T HA 0.567 4.917 4.350 0.000 0.000 0.266 185 T C 1.177 175.893 174.700 0.028 0.000 1.005 185 T CA 0.358 62.469 62.100 0.018 0.000 0.906 185 T CB -0.066 68.806 68.868 0.006 0.000 1.082 185 T HN 1.189 nan 8.240 nan 0.000 0.531 186 G N 1.316 110.137 108.800 0.036 0.000 2.796 186 G HA2 -0.090 3.870 3.960 0.000 0.000 0.571 186 G HA3 -0.090 3.870 3.960 0.000 0.000 0.571 186 G C -1.171 173.749 174.900 0.034 0.000 1.370 186 G CA -0.529 44.602 45.100 0.051 0.000 0.856 186 G HN 0.556 nan 8.290 nan 0.000 0.538 187 N N 0.154 118.880 118.700 0.043 0.000 2.761 187 N HA 0.672 5.412 4.740 0.000 0.000 0.283 187 N C -0.604 174.924 175.510 0.031 0.000 1.377 187 N CA -0.065 52.997 53.050 0.020 0.000 0.791 187 N CB 2.068 40.561 38.487 0.009 0.000 1.540 187 N HN 0.947 nan 8.380 nan 0.000 0.539 188 E N -0.628 119.577 120.200 0.008 0.000 2.383 188 E HA 0.418 4.768 4.350 0.000 0.000 0.275 188 E C -1.249 175.328 176.600 -0.037 0.000 0.918 188 E CA -0.767 55.647 56.400 0.023 0.000 0.764 188 E CB 1.381 31.100 29.700 0.031 0.000 1.252 188 E HN 0.348 nan 8.360 nan 0.000 0.449 189 N N 0.900 119.554 118.700 -0.077 0.000 2.621 189 N HA -0.145 4.595 4.740 0.000 0.000 0.269 189 N C -1.276 173.827 175.510 -0.680 0.000 1.154 189 N CA 0.805 53.675 53.050 -0.299 0.000 0.696 189 N CB -1.245 37.256 38.487 0.023 0.000 0.878 189 N HN 0.604 nan 8.380 nan 0.000 0.550 190 I N 1.151 121.249 120.570 -0.787 0.000 2.418 190 I HA 0.412 4.582 4.170 0.000 0.000 0.287 190 I C -0.400 175.347 176.117 -0.618 0.000 1.008 190 I CA -0.666 60.304 61.300 -0.550 0.000 1.104 190 I CB 0.832 38.728 38.000 -0.174 0.000 1.264 190 I HN 0.007 nan 8.210 nan 0.000 0.438 191 F N 7.045 127.093 119.950 0.163 0.000 2.434 191 F HA 0.535 5.062 4.527 0.000 0.000 0.355 191 F C -0.456 175.444 175.800 0.167 0.000 1.115 191 F CA -0.635 57.466 58.000 0.168 0.000 1.010 191 F CB 1.008 40.057 39.000 0.081 0.000 1.234 191 F HN 0.089 nan 8.300 nan 0.000 0.439 192 L N 3.270 124.674 121.223 0.302 0.000 2.333 192 L HA 0.741 5.081 4.340 0.000 0.000 0.280 192 L C -0.494 176.461 176.870 0.141 0.000 1.004 192 L CA -0.453 54.547 54.840 0.266 0.000 0.820 192 L CB 1.964 44.163 42.059 0.233 0.000 1.247 192 L HN 0.534 nan 8.230 nan 0.000 0.416 193 S N 0.373 116.155 115.700 0.137 0.000 2.540 193 S HA 0.466 4.936 4.470 0.000 0.000 0.275 193 S C -0.368 174.222 174.600 -0.018 0.000 1.123 193 S CA -0.803 57.411 58.200 0.024 0.000 0.907 193 S CB 1.893 65.166 63.200 0.121 0.000 1.081 193 S HN 0.604 nan 8.310 nan 0.000 0.476 194 S N 0.847 116.472 115.700 -0.125 0.000 3.886 194 S HA -0.116 4.354 4.470 0.000 0.000 0.398 194 S C -0.504 174.168 174.600 0.120 0.000 0.931 194 S CA 1.122 59.328 58.200 0.011 0.000 1.217 194 S CB -1.978 61.296 63.200 0.124 0.000 0.874 194 S HN 1.177 nan 8.310 nan 0.000 0.521 195 F N -2.927 117.059 119.950 0.059 0.000 2.713 195 F HA 0.779 5.306 4.527 0.000 0.000 0.311 195 F C -0.349 175.480 175.800 0.049 0.000 1.141 195 F CA -1.205 56.821 58.000 0.043 0.000 0.939 195 F CB 0.763 39.771 39.000 0.014 0.000 1.325 195 F HN -0.092 nan 8.300 nan 0.000 0.453 196 T N 2.716 117.466 114.554 0.326 0.000 2.837 196 T HA 0.636 4.986 4.350 0.000 0.000 0.285 196 T C -0.516 174.347 174.700 0.273 0.000 0.984 196 T CA -0.415 61.816 62.100 0.218 0.000 1.049 196 T CB 1.009 69.965 68.868 0.147 0.000 0.947 196 T HN 0.540 nan 8.240 nan 0.000 0.472 197 L N 3.423 124.763 121.223 0.194 0.000 2.280 197 L HA 0.433 4.774 4.340 0.000 0.000 0.287 197 L C -0.159 176.741 176.870 0.051 0.000 1.023 197 L CA -0.766 54.144 54.840 0.117 0.000 0.819 197 L CB 1.162 43.294 42.059 0.121 0.000 1.212 197 L HN 0.545 nan 8.230 nan 0.000 0.420 198 D N 2.421 122.829 120.400 0.013 0.000 2.441 198 D HA 0.244 4.884 4.640 0.000 0.000 0.231 198 D C 0.967 177.269 176.300 0.003 0.000 1.073 198 D CA -0.419 53.594 54.000 0.021 0.000 0.850 198 D CB 2.081 42.900 40.800 0.031 0.000 1.062 198 D HN 0.595 nan 8.370 nan 0.000 0.524 199 G N 3.088 111.909 108.800 0.035 0.000 2.679 199 G HA2 -0.200 3.760 3.960 0.000 0.000 0.212 199 G HA3 -0.200 3.760 3.960 0.000 0.000 0.212 199 G C 0.886 175.911 174.900 0.207 0.000 1.137 199 G CA -0.038 45.118 45.100 0.093 0.000 0.787 199 G HN 0.854 nan 8.290 nan 0.000 0.534 200 N N -0.184 118.594 118.700 0.130 0.000 2.714 200 N HA -0.290 4.450 4.740 0.000 0.000 0.252 200 N C 1.251 176.823 175.510 0.103 0.000 1.014 200 N CA 0.497 53.617 53.050 0.117 0.000 0.735 200 N CB -0.959 37.615 38.487 0.145 0.000 0.924 200 N HN 0.475 nan 8.380 nan 0.000 0.540 201 N N 1.311 120.062 118.700 0.085 0.000 2.205 201 N HA -0.194 4.546 4.740 0.000 0.000 0.186 201 N C 1.817 177.343 175.510 0.027 0.000 1.015 201 N CA 1.759 54.843 53.050 0.056 0.000 0.862 201 N CB 0.049 38.564 38.487 0.047 0.000 0.986 201 N HN 0.532 nan 8.380 nan 0.000 0.429 202 K N 1.069 121.484 120.400 0.025 0.000 2.360 202 K HA -0.201 4.119 4.320 0.000 0.000 0.201 202 K C 1.714 178.318 176.600 0.006 0.000 1.046 202 K CA 1.192 57.485 56.287 0.011 0.000 0.945 202 K CB -0.384 32.122 32.500 0.009 0.000 0.750 202 K HN 0.436 nan 8.250 nan 0.000 0.464 203 R N 1.377 121.882 120.500 0.009 0.000 2.241 203 R HA -0.050 4.290 4.340 0.000 0.000 0.224 203 R C 1.546 177.836 176.300 -0.017 0.000 1.101 203 R CA 0.966 57.064 56.100 -0.003 0.000 0.995 203 R CB -0.458 29.839 30.300 -0.005 0.000 0.870 203 R HN 0.250 nan 8.270 nan 0.000 0.463 204 L N 0.591 121.805 121.223 -0.015 0.000 2.607 204 L HA 0.324 4.664 4.340 0.000 0.000 0.228 204 L C 0.813 177.672 176.870 -0.018 0.000 1.123 204 L CA 0.233 55.059 54.840 -0.023 0.000 0.890 204 L CB 0.135 42.179 42.059 -0.024 0.000 1.103 204 L HN 0.542 nan 8.230 nan 0.000 0.468 205 G N 0.147 108.939 108.800 -0.014 0.000 2.757 205 G HA2 -0.160 3.800 3.960 0.000 0.000 0.638 205 G HA3 -0.160 3.800 3.960 0.000 0.000 0.638 205 G C -0.755 174.137 174.900 -0.013 0.000 1.344 205 G CA -0.858 44.234 45.100 -0.014 0.000 0.855 205 G HN 0.021 nan 8.290 nan 0.000 0.537 206 Q N -0.010 119.781 119.800 -0.015 0.000 2.221 206 Q HA 0.569 4.909 4.340 0.000 0.000 0.242 206 Q C 1.287 177.275 176.000 -0.020 0.000 0.940 206 Q CA 0.690 56.482 55.803 -0.018 0.000 0.896 206 Q CB 1.025 29.750 28.738 -0.021 0.000 1.226 206 Q HN 2.528 nan 8.270 nan 0.000 0.463 207 G N 1.036 109.822 108.800 -0.022 0.000 2.143 207 G HA2 -0.244 3.716 3.960 0.000 0.000 0.249 207 G HA3 -0.244 3.716 3.960 0.000 0.000 0.249 207 G C -0.020 174.871 174.900 -0.015 0.000 0.981 207 G CA 0.016 45.102 45.100 -0.022 0.000 0.665 207 G HN 0.441 nan 8.290 nan 0.000 0.528 208 I N 0.879 121.442 120.570 -0.012 0.000 2.412 208 I HA 0.640 4.810 4.170 0.000 0.000 0.296 208 I C 0.599 176.716 176.117 -0.001 0.000 0.987 208 I CA -0.447 60.848 61.300 -0.009 0.000 1.180 208 I CB 1.899 39.891 38.000 -0.012 0.000 1.340 208 I HN 0.137 nan 8.210 nan 0.000 0.455 209 S N 2.907 118.606 115.700 -0.001 0.000 2.801 209 S HA 0.717 5.187 4.470 0.000 0.000 0.312 209 S C 0.007 174.599 174.600 -0.013 0.000 1.112 209 S CA -0.516 57.685 58.200 0.001 0.000 0.943 209 S CB 1.416 64.623 63.200 0.012 0.000 1.269 209 S HN 0.742 nan 8.310 nan 0.000 0.558 210 G N 0.758 109.541 108.800 -0.028 0.000 2.491 210 G HA2 0.327 4.287 3.960 0.000 0.000 0.242 210 G HA3 0.327 4.287 3.960 0.000 0.000 0.242 210 G C 0.754 175.633 174.900 -0.034 0.000 1.266 210 G CA -0.089 44.986 45.100 -0.041 0.000 0.844 210 G HN 0.650 nan 8.290 nan 0.000 0.571 211 I N -0.156 120.388 120.570 -0.043 0.000 3.001 211 I HA 0.365 4.535 4.170 0.000 0.000 0.268 211 I C 1.150 177.243 176.117 -0.040 0.000 1.267 211 I CA 0.054 61.330 61.300 -0.040 0.000 1.472 211 I CB -0.706 37.266 38.000 -0.047 0.000 1.089 211 I HN 0.654 nan 8.210 nan 0.000 0.468 212 G N -0.724 108.046 108.800 -0.050 0.000 2.318 212 G HA2 0.511 4.471 3.960 0.000 0.000 0.306 212 G HA3 0.511 4.471 3.960 0.000 0.000 0.306 212 G C -0.087 174.757 174.900 -0.094 0.000 1.696 212 G CA -0.221 44.850 45.100 -0.048 0.000 0.905 212 G HN 0.691 nan 8.290 nan 0.000 0.700 213 G N 1.405 110.162 108.800 -0.073 0.000 2.611 213 G HA2 -0.010 3.950 3.960 0.000 0.000 0.301 213 G HA3 -0.010 3.950 3.960 0.000 0.000 0.301 213 G C 1.695 176.334 174.900 -0.435 0.000 1.233 213 G CA 1.451 46.392 45.100 -0.264 0.000 0.993 213 G HN 2.349 nan 8.290 nan 0.000 0.553 214 S N 0.558 115.808 115.700 -0.750 0.000 2.631 214 S HA 0.311 4.781 4.470 0.000 0.000 0.217 214 S C 0.977 175.438 174.600 -0.232 0.000 0.958 214 S CA 0.645 58.532 58.200 -0.522 0.000 0.920 214 S CB 0.050 62.878 63.200 -0.620 0.000 0.776 214 S HN 0.723 nan 8.310 nan 0.000 0.517 215 R N 1.753 122.124 120.500 -0.216 0.000 2.491 215 R HA 0.258 4.598 4.340 0.000 0.000 0.283 215 R C 0.067 176.306 176.300 -0.102 0.000 1.072 215 R CA 0.245 56.244 56.100 -0.168 0.000 1.048 215 R CB -0.048 30.162 30.300 -0.151 0.000 0.983 215 R HN 0.449 nan 8.270 nan 0.000 0.450 216 E N -0.598 119.562 120.200 -0.067 0.000 3.169 216 E HA -0.157 4.193 4.350 0.000 0.000 0.305 216 E C -0.765 175.856 176.600 0.035 0.000 0.912 216 E CA 0.182 56.591 56.400 0.015 0.000 1.029 216 E CB -1.255 28.447 29.700 0.004 0.000 1.514 216 E HN 0.556 nan 8.360 nan 0.000 0.412 217 S N 0.096 115.814 115.700 0.030 0.000 2.624 217 S HA 0.215 4.685 4.470 0.000 0.000 0.263 217 S C 1.225 175.874 174.600 0.082 0.000 1.287 217 S CA -0.530 57.712 58.200 0.070 0.000 0.990 217 S CB 0.770 64.048 63.200 0.130 0.000 0.950 217 S HN 0.213 nan 8.310 nan 0.000 0.561 218 N N -0.030 118.717 118.700 0.078 0.000 2.142 218 N HA 0.040 4.780 4.740 0.000 0.000 0.186 218 N C -0.177 175.368 175.510 0.058 0.000 1.023 218 N CA 0.790 53.868 53.050 0.047 0.000 0.852 218 N CB -0.234 38.282 38.487 0.047 0.000 0.998 218 N HN 0.356 nan 8.380 nan 0.000 0.424 219 L N -0.262 121.012 121.223 0.086 0.000 2.439 219 L HA 0.492 4.832 4.340 0.000 0.000 0.270 219 L C -1.281 175.659 176.870 0.116 0.000 0.972 219 L CA -0.355 54.549 54.840 0.107 0.000 0.836 219 L CB 1.954 44.072 42.059 0.099 0.000 1.255 219 L HN -0.239 nan 8.230 nan 0.000 0.404 220 S N 6.243 122.027 115.700 0.141 0.000 2.519 220 S HA 0.716 5.186 4.470 0.000 0.000 0.309 220 S C -0.787 173.895 174.600 0.137 0.000 1.100 220 S CA -0.492 57.783 58.200 0.125 0.000 1.059 220 S CB 1.323 64.566 63.200 0.072 0.000 1.008 220 S HN 0.422 nan 8.310 nan 0.000 0.478 221 I N 3.779 124.412 120.570 0.106 0.000 2.382 221 I HA 0.420 4.590 4.170 0.000 0.000 0.286 221 I C -0.048 176.117 176.117 0.080 0.000 1.002 221 I CA -0.438 60.916 61.300 0.091 0.000 1.135 221 I CB 1.358 39.398 38.000 0.067 0.000 1.288 221 I HN 0.514 nan 8.210 nan 0.000 0.448 222 R N 4.666 125.214 120.500 0.080 0.000 2.409 222 R HA 0.616 4.956 4.340 0.000 0.000 0.313 222 R C 0.500 176.839 176.300 0.065 0.000 0.953 222 R CA -0.548 55.589 56.100 0.062 0.000 0.849 222 R CB 1.865 32.190 30.300 0.042 0.000 1.171 222 R HN 0.751 nan 8.270 nan 0.000 0.458 223 A N 1.118 123.976 122.820 0.064 0.000 2.847 223 A HA -0.205 4.115 4.320 0.000 0.000 0.263 223 A C 0.085 177.761 177.584 0.152 0.000 1.391 223 A CA 0.754 52.843 52.037 0.088 0.000 0.866 223 A CB -2.298 16.745 19.000 0.072 0.000 1.057 223 A HN 0.706 nan 8.150 nan 0.000 0.673 224 C N 0.504 119.878 119.300 0.123 0.000 2.405 224 C HA 0.672 5.132 4.460 0.000 0.000 0.365 224 C C 0.630 175.739 174.990 0.199 0.000 1.233 224 C CA -0.492 58.623 59.018 0.162 0.000 2.230 224 C CB 0.401 28.191 27.740 0.083 0.000 2.443 224 C HN 0.594 nan 8.230 nan 0.000 0.556 225 H N 2.520 121.607 119.070 0.029 0.000 2.469 225 H HA 0.263 4.819 4.556 0.000 0.000 0.342 225 H C -0.536 174.832 175.328 0.067 0.000 1.115 225 H CA -0.371 55.710 56.048 0.056 0.000 1.204 225 H CB 1.102 30.905 29.762 0.070 0.000 1.492 225 H HN 0.784 nan 8.280 nan 0.000 0.499 226 N N 1.309 120.125 118.700 0.193 0.000 2.643 226 N HA -0.151 4.589 4.740 0.000 0.000 0.267 226 N C -1.272 174.335 175.510 0.162 0.000 1.158 226 N CA 0.245 53.446 53.050 0.251 0.000 0.684 226 N CB -1.372 37.309 38.487 0.323 0.000 0.879 226 N HN 0.230 nan 8.380 nan 0.000 0.553 227 V N 1.825 121.793 119.914 0.091 0.000 2.531 227 V HA 0.465 4.585 4.120 0.000 0.000 0.301 227 V C -0.491 175.656 176.094 0.088 0.000 1.034 227 V CA -0.668 61.672 62.300 0.067 0.000 0.865 227 V CB 1.462 33.301 31.823 0.025 0.000 0.995 227 V HN 0.268 nan 8.190 nan 0.000 0.424 228 Y N 4.854 125.279 120.300 0.208 0.000 2.328 228 Y HA 0.669 5.219 4.550 0.000 0.000 0.333 228 Y C -0.002 176.022 175.900 0.206 0.000 0.958 228 Y CA -0.851 57.425 58.100 0.292 0.000 1.167 228 Y CB 1.680 40.360 38.460 0.366 0.000 1.151 228 Y HN 0.477 nan 8.280 nan 0.000 0.470 229 I N 4.643 125.370 120.570 0.261 0.000 2.382 229 I HA 0.525 4.695 4.170 0.000 0.000 0.285 229 I C -0.460 175.736 176.117 0.132 0.000 1.007 229 I CA -0.626 60.766 61.300 0.154 0.000 1.142 229 I CB 1.593 39.650 38.000 0.095 0.000 1.289 229 I HN 0.463 nan 8.210 nan 0.000 0.453 230 R N 5.199 125.747 120.500 0.081 0.000 2.574 230 R HA 0.320 4.660 4.340 0.000 0.000 0.288 230 R C -0.824 175.471 176.300 -0.008 0.000 1.004 230 R CA -0.350 55.794 56.100 0.074 0.000 0.895 230 R CB 1.121 31.490 30.300 0.115 0.000 1.191 230 R HN 0.584 nan 8.270 nan 0.000 0.444 231 D N 3.293 123.701 120.400 0.012 0.000 2.708 231 D HA -0.178 4.462 4.640 0.000 0.000 0.236 231 D C -0.560 175.680 176.300 -0.101 0.000 1.146 231 D CA 1.030 55.026 54.000 -0.007 0.000 0.662 231 D CB -0.355 40.456 40.800 0.019 0.000 1.059 231 D HN 0.260 nan 8.370 nan 0.000 0.428 232 I N 0.938 121.429 120.570 -0.132 0.000 2.359 232 I HA 0.212 4.382 4.170 0.000 0.000 0.294 232 I C 0.793 176.869 176.117 -0.068 0.000 0.987 232 I CA -0.353 60.809 61.300 -0.230 0.000 1.225 232 I CB 1.619 39.439 38.000 -0.300 0.000 1.366 232 I HN -0.038 nan 8.210 nan 0.000 0.466 233 E N 5.111 125.295 120.200 -0.028 0.000 2.134 233 E HA 0.623 4.973 4.350 0.000 0.000 0.278 233 E C -1.122 175.504 176.600 0.043 0.000 0.959 233 E CA -0.660 55.762 56.400 0.038 0.000 0.783 233 E CB 1.548 31.292 29.700 0.074 0.000 1.095 233 E HN 0.727 nan 8.360 nan 0.000 0.399 234 A N 4.595 127.437 122.820 0.037 0.000 2.273 234 A HA 0.515 4.835 4.320 0.000 0.000 0.315 234 A C -0.480 177.133 177.584 0.048 0.000 1.256 234 A CA -0.620 51.443 52.037 0.044 0.000 0.851 234 A CB 0.667 19.686 19.000 0.031 0.000 1.172 234 A HN 0.463 nan 8.150 nan 0.000 0.508 235 V N -0.087 119.858 119.914 0.052 0.000 3.001 235 V HA 0.773 4.893 4.120 0.000 0.000 0.314 235 V C 0.039 176.161 176.094 0.047 0.000 1.099 235 V CA -0.489 61.836 62.300 0.041 0.000 0.989 235 V CB 1.513 33.359 31.823 0.038 0.000 1.040 235 V HN 0.920 nan 8.190 nan 0.000 0.434 236 D N 1.011 121.431 120.400 0.032 0.000 2.735 236 D HA -0.175 4.465 4.640 0.000 0.000 0.235 236 D C -0.055 176.283 176.300 0.064 0.000 1.175 236 D CA 0.970 54.991 54.000 0.035 0.000 0.683 236 D CB -1.132 39.689 40.800 0.035 0.000 1.008 236 D HN 1.047 nan 8.370 nan 0.000 0.416 237 C N 0.384 119.737 119.300 0.088 0.000 2.452 237 C HA 0.411 4.871 4.460 0.000 0.000 0.379 237 C C 2.205 177.256 174.990 0.101 0.000 1.275 237 C CA -0.598 58.487 59.018 0.113 0.000 2.056 237 C CB 0.978 28.814 27.740 0.160 0.000 2.506 237 C HN 0.475 nan 8.230 nan 0.000 0.560 238 T N 1.621 116.227 114.554 0.087 0.000 2.698 238 T HA -0.102 4.248 4.350 0.000 0.000 0.260 238 T C 1.383 176.099 174.700 0.027 0.000 1.044 238 T CA 1.335 63.468 62.100 0.055 0.000 1.149 238 T CB -0.135 68.765 68.868 0.053 0.000 0.864 238 T HN 0.596 nan 8.240 nan 0.000 0.419 239 L N -0.258 120.959 121.223 -0.009 0.000 2.575 239 L HA 0.360 4.700 4.340 0.000 0.000 0.188 239 L C 0.545 177.346 176.870 -0.115 0.000 1.290 239 L CA 0.418 55.172 54.840 -0.144 0.000 2.165 239 L CB -0.113 41.788 42.059 -0.263 0.000 1.984 239 L HN 0.226 nan 8.230 nan 0.000 1.006 240 H N -1.022 118.101 119.070 0.087 0.000 2.517 240 H HA 0.346 4.902 4.556 0.000 0.000 0.346 240 H C 0.704 176.025 175.328 -0.012 0.000 1.222 240 H CA -0.028 56.021 56.048 0.002 0.000 1.314 240 H CB 0.685 30.437 29.762 -0.017 0.000 1.609 240 H HN 0.504 nan 8.280 nan 0.000 0.571 241 G N 0.504 109.312 108.800 0.013 0.000 2.454 241 G HA2 0.031 3.991 3.960 0.000 0.000 0.214 241 G HA3 0.031 3.991 3.960 0.000 0.000 0.214 241 G C 0.434 175.347 174.900 0.022 0.000 1.217 241 G CA 0.343 45.443 45.100 -0.000 0.000 0.799 241 G HN 0.489 nan 8.290 nan 0.000 0.538 242 I N 0.613 121.169 120.570 -0.023 0.000 2.478 242 I HA 0.331 4.501 4.170 0.000 0.000 0.287 242 I C -1.825 174.290 176.117 -0.003 0.000 1.042 242 I CA -0.734 60.569 61.300 0.005 0.000 1.067 242 I CB 2.449 40.440 38.000 -0.015 0.000 1.233 242 I HN -0.014 nan 8.210 nan 0.000 0.431 243 D N 7.463 127.902 120.400 0.065 0.000 2.629 243 D HA 0.451 5.091 4.640 0.000 0.000 0.250 243 D C -1.051 175.310 176.300 0.101 0.000 1.126 243 D CA -0.350 53.703 54.000 0.088 0.000 0.852 243 D CB 1.590 42.538 40.800 0.247 0.000 1.335 243 D HN 0.134 nan 8.370 nan 0.000 0.518 244 I N 3.054 123.672 120.570 0.081 0.000 2.339 244 I HA 0.413 4.583 4.170 0.000 0.000 0.290 244 I C 0.637 176.837 176.117 0.139 0.000 0.994 244 I CA -0.421 60.920 61.300 0.068 0.000 1.191 244 I CB 0.683 38.679 38.000 -0.006 0.000 1.343 244 I HN 0.358 nan 8.210 nan 0.000 0.458 245 T N 5.172 119.809 114.554 0.139 0.000 2.812 245 T HA 0.510 4.860 4.350 0.000 0.000 0.294 245 T C 0.025 174.796 174.700 0.118 0.000 1.159 245 T CA -0.383 61.831 62.100 0.191 0.000 1.008 245 T CB 1.244 70.267 68.868 0.258 0.000 1.289 245 T HN 0.791 nan 8.240 nan 0.000 0.514 246 C N 0.687 120.069 119.300 0.136 0.000 2.641 246 C HA 0.881 5.341 4.460 0.000 0.000 0.318 246 C C 1.506 176.510 174.990 0.023 0.000 1.490 246 C CA -0.311 58.746 59.018 0.065 0.000 2.260 246 C CB -1.292 26.471 27.740 0.039 0.000 2.103 246 C HN 1.044 nan 8.230 nan 0.000 0.641 247 G N -0.340 108.463 108.800 0.004 0.000 2.491 247 G HA2 0.531 4.491 3.960 0.000 0.000 0.238 247 G HA3 0.531 4.491 3.960 0.000 0.000 0.238 247 G C 0.446 175.318 174.900 -0.046 0.000 1.277 247 G CA 0.582 45.677 45.100 -0.009 0.000 0.851 247 G HN 2.471 nan 8.290 nan 0.000 0.573 248 G N 0.108 108.876 108.800 -0.053 0.000 2.674 248 G HA2 -0.081 3.879 3.960 0.000 0.000 0.686 248 G HA3 -0.081 3.879 3.960 0.000 0.000 0.686 248 G C 0.561 175.379 174.900 -0.137 0.000 1.195 248 G CA -0.240 44.809 45.100 -0.085 0.000 0.776 248 G HN 0.830 nan 8.290 nan 0.000 0.654 249 L N 0.280 121.412 121.223 -0.152 0.000 2.109 249 L HA 0.114 4.454 4.340 0.000 0.000 0.207 249 L C 1.238 177.919 176.870 -0.314 0.000 1.086 249 L CA 0.779 55.490 54.840 -0.216 0.000 0.760 249 L CB -0.271 41.682 42.059 -0.177 0.000 0.910 249 L HN 0.517 nan 8.230 nan 0.000 0.437 250 D N -1.119 119.132 120.400 -0.250 0.000 2.329 250 D HA 0.160 4.800 4.640 0.000 0.000 0.246 250 D C -0.579 175.522 176.300 -0.332 0.000 1.111 250 D CA -0.095 53.744 54.000 -0.269 0.000 0.941 250 D CB 0.643 41.377 40.800 -0.110 0.000 1.169 250 D HN -0.079 nan 8.370 nan 0.000 0.441 251 Y N 0.943 121.157 120.300 -0.144 0.000 2.319 251 Y HA 0.237 4.787 4.550 0.000 0.000 0.328 251 Y C -1.407 174.205 175.900 -0.481 0.000 1.133 251 Y CA -1.753 56.172 58.100 -0.292 0.000 1.265 251 Y CB 0.662 38.938 38.460 -0.307 0.000 1.218 251 Y HN 0.078 nan 8.280 nan 0.000 0.508 252 P HA 0.124 nan 4.420 nan 0.000 0.284 252 P C -1.565 175.412 177.300 -0.539 0.000 1.253 252 P CA -0.358 62.515 63.100 -0.378 0.000 0.800 252 P CB 0.712 32.190 31.700 -0.369 0.000 0.961 253 Y N 1.905 122.235 120.300 0.050 0.000 2.805 253 Y HA 0.309 4.859 4.550 0.000 0.000 0.339 253 Y C 1.120 177.057 175.900 0.061 0.000 1.012 253 Y CA -0.380 57.772 58.100 0.087 0.000 1.262 253 Y CB 0.816 39.323 38.460 0.079 0.000 1.100 253 Y HN 0.113 nan 8.280 nan 0.000 0.559 254 L N 1.900 123.206 121.223 0.139 0.000 2.640 254 L HA 0.475 4.815 4.340 0.000 0.000 0.230 254 L C 0.969 177.905 176.870 0.109 0.000 1.123 254 L CA 0.158 55.053 54.840 0.091 0.000 0.900 254 L CB -0.020 42.059 42.059 0.035 0.000 1.146 254 L HN 0.780 nan 8.230 nan 0.000 0.484 255 G N 0.594 109.488 108.800 0.156 0.000 2.662 255 G HA2 -0.202 3.758 3.960 0.000 0.000 0.686 255 G HA3 -0.202 3.758 3.960 0.000 0.000 0.686 255 G C -0.953 174.035 174.900 0.146 0.000 1.271 255 G CA -0.806 44.382 45.100 0.146 0.000 0.816 255 G HN 0.101 nan 8.290 nan 0.000 0.608 256 D N 0.014 120.505 120.400 0.152 0.000 2.423 256 D HA 0.514 5.154 4.640 0.000 0.000 0.238 256 D C 1.617 177.948 176.300 0.053 0.000 1.142 256 D CA 1.907 55.976 54.000 0.115 0.000 0.884 256 D CB 0.494 41.349 40.800 0.091 0.000 1.199 256 D HN 2.085 nan 8.370 nan 0.000 0.438 257 G N 1.740 110.548 108.800 0.013 0.000 2.143 257 G HA2 -0.215 3.745 3.960 0.000 0.000 0.248 257 G HA3 -0.215 3.745 3.960 0.000 0.000 0.248 257 G C 0.418 175.321 174.900 0.005 0.000 0.991 257 G CA 0.822 45.911 45.100 -0.019 0.000 0.689 257 G HN 0.876 nan 8.290 nan 0.000 0.522 258 T N -2.611 111.967 114.554 0.040 0.000 2.949 258 T HA 0.758 5.108 4.350 0.000 0.000 0.287 258 T C -0.303 174.441 174.700 0.074 0.000 1.034 258 T CA 0.011 62.141 62.100 0.049 0.000 1.018 258 T CB 2.567 71.468 68.868 0.055 0.000 1.135 258 T HN 0.406 nan 8.240 nan 0.000 0.532 259 T N 1.499 116.090 114.554 0.063 0.000 2.847 259 T HA 0.680 5.030 4.350 0.000 0.000 0.291 259 T C 0.115 174.838 174.700 0.039 0.000 0.998 259 T CA -0.563 61.584 62.100 0.077 0.000 0.967 259 T CB 0.960 69.871 68.868 0.072 0.000 0.954 259 T HN 1.035 nan 8.240 nan 0.000 0.441 260 A N 5.498 128.335 122.820 0.028 0.000 2.462 260 A HA 0.600 4.920 4.320 0.000 0.000 0.243 260 A C -1.900 175.660 177.584 -0.039 0.000 1.076 260 A CA -1.049 50.940 52.037 -0.080 0.000 0.773 260 A CB -0.332 18.478 19.000 -0.316 0.000 1.010 260 A HN 0.537 nan 8.150 nan 0.000 0.493 261 P HA 0.116 nan 4.420 nan 0.000 0.272 261 P C -0.630 176.666 177.300 -0.007 0.000 1.230 261 P CA -0.324 62.767 63.100 -0.015 0.000 0.788 261 P CB 0.233 31.923 31.700 -0.016 0.000 0.949 262 N N -1.995 116.719 118.700 0.023 0.000 2.708 262 N HA -0.091 4.649 4.740 0.000 0.000 0.255 262 N C -2.192 173.346 175.510 0.047 0.000 1.046 262 N CA 0.311 53.390 53.050 0.048 0.000 0.715 262 N CB -1.537 36.969 38.487 0.031 0.000 0.895 262 N HN 0.423 nan 8.380 nan 0.000 0.545 263 P HA 0.115 nan 4.420 nan 0.000 0.272 263 P C 0.149 177.429 177.300 -0.034 0.000 1.230 263 P CA -0.032 63.063 63.100 -0.008 0.000 0.788 263 P CB 0.726 32.385 31.700 -0.067 0.000 0.949 264 S N 0.397 116.062 115.700 -0.059 0.000 2.592 264 S HA 0.273 4.743 4.470 0.000 0.000 0.271 264 S C 0.062 174.510 174.600 -0.255 0.000 1.326 264 S CA -0.188 57.945 58.200 -0.111 0.000 1.024 264 S CB 0.191 63.362 63.200 -0.050 0.000 0.921 264 S HN 0.552 nan 8.310 nan 0.000 0.527 265 E N 1.356 121.345 120.200 -0.351 0.000 2.352 265 E HA 0.304 4.654 4.350 0.000 0.000 0.280 265 E C -1.282 175.225 176.600 -0.155 0.000 0.930 265 E CA -0.612 55.580 56.400 -0.348 0.000 0.765 265 E CB 0.756 30.117 29.700 -0.565 0.000 1.219 265 E HN 0.535 nan 8.360 nan 0.000 0.434 266 N N 3.486 122.176 118.700 -0.016 0.000 2.573 266 N HA -0.125 4.615 4.740 0.000 0.000 0.275 266 N C -1.761 173.715 175.510 -0.057 0.000 1.208 266 N CA 0.705 53.773 53.050 0.030 0.000 0.688 266 N CB -0.768 37.822 38.487 0.171 0.000 0.882 266 N HN 0.469 nan 8.380 nan 0.000 0.548 267 I N 1.293 121.730 120.570 -0.222 0.000 2.569 267 I HA 0.487 4.657 4.170 0.000 0.000 0.296 267 I C -0.126 175.758 176.117 -0.387 0.000 1.028 267 I CA -0.444 60.735 61.300 -0.202 0.000 1.082 267 I CB 1.173 39.087 38.000 -0.144 0.000 1.264 267 I HN 0.286 nan 8.210 nan 0.000 0.429 268 W N 6.235 127.366 121.300 -0.282 0.000 2.715 268 W HA 0.639 5.299 4.660 0.000 0.000 0.331 268 W C -0.626 175.857 176.519 -0.060 0.000 1.031 268 W CA -0.275 56.960 57.345 -0.183 0.000 1.237 268 W CB 1.530 30.828 29.460 -0.270 0.000 1.378 268 W HN 0.153 nan 8.180 nan 0.000 0.454 269 I N 3.664 124.334 120.570 0.166 0.000 2.411 269 I HA 0.349 4.519 4.170 0.000 0.000 0.284 269 I C -0.454 175.767 176.117 0.172 0.000 1.012 269 I CA -0.778 60.608 61.300 0.143 0.000 1.119 269 I CB 1.351 39.406 38.000 0.091 0.000 1.261 269 I HN 0.345 nan 8.210 nan 0.000 0.448 270 E N 5.800 126.105 120.200 0.175 0.000 2.292 270 E HA 0.366 4.716 4.350 0.000 0.000 0.272 270 E C -0.626 176.055 176.600 0.135 0.000 0.881 270 E CA -0.872 55.629 56.400 0.169 0.000 0.754 270 E CB 1.693 31.509 29.700 0.192 0.000 1.201 270 E HN 0.498 nan 8.360 nan 0.000 0.425 271 N N 0.437 119.217 118.700 0.134 0.000 2.725 271 N HA -0.163 4.577 4.740 0.000 0.000 0.249 271 N C -0.786 174.794 175.510 0.116 0.000 1.103 271 N CA 0.687 53.809 53.050 0.121 0.000 0.707 271 N CB -1.462 37.082 38.487 0.095 0.000 1.043 271 N HN 0.391 nan 8.380 nan 0.000 0.553 272 C N 0.504 119.884 119.300 0.132 0.000 2.351 272 C HA 0.550 5.010 4.460 0.000 0.000 0.359 272 C C 1.031 176.110 174.990 0.148 0.000 1.193 272 C CA -0.639 58.442 59.018 0.104 0.000 2.270 272 C CB 1.933 29.716 27.740 0.072 0.000 2.369 272 C HN 0.324 nan 8.230 nan 0.000 0.553 273 E N 0.496 120.764 120.200 0.114 0.000 2.266 273 E HA 0.672 5.022 4.350 0.000 0.000 0.268 273 E C -1.311 175.308 176.600 0.031 0.000 0.879 273 E CA -0.368 56.110 56.400 0.130 0.000 0.762 273 E CB 1.721 31.539 29.700 0.197 0.000 1.199 273 E HN 0.854 nan 8.360 nan 0.000 0.422 274 A N 2.871 125.665 122.820 -0.043 0.000 2.374 274 A HA 0.693 5.013 4.320 0.000 0.000 0.305 274 A C -0.838 176.709 177.584 -0.061 0.000 1.053 274 A CA -0.449 51.552 52.037 -0.059 0.000 0.726 274 A CB 2.182 21.070 19.000 -0.187 0.000 1.229 274 A HN 0.477 nan 8.150 nan 0.000 0.431 275 T N 0.101 114.657 114.554 0.003 0.000 2.853 275 T HA 0.560 4.910 4.350 0.000 0.000 0.311 275 T C 0.518 175.138 174.700 -0.133 0.000 1.307 275 T CA 0.899 62.854 62.100 -0.241 0.000 1.019 275 T CB 1.084 69.516 68.868 -0.727 0.000 1.264 275 T HN 2.534 nan 8.240 nan 0.000 0.497 276 G N 2.489 111.052 108.800 -0.395 0.000 2.273 276 G HA2 -0.196 3.764 3.960 0.000 0.000 0.280 276 G HA3 -0.196 3.764 3.960 0.000 0.000 0.280 276 G C -0.100 174.696 174.900 -0.174 0.000 1.047 276 G CA 0.769 45.702 45.100 -0.279 0.000 0.869 276 G HN 0.981 nan 8.290 nan 0.000 0.502 277 F N -2.143 117.782 119.950 -0.042 0.000 2.408 277 F HA 0.756 5.283 4.527 0.000 0.000 0.325 277 F C 1.244 177.052 175.800 0.014 0.000 1.082 277 F CA -1.140 56.854 58.000 -0.010 0.000 1.032 277 F CB 0.784 39.783 39.000 -0.003 0.000 1.259 277 F HN 0.014 nan 8.300 nan 0.000 0.503 278 G N -0.775 108.167 108.800 0.237 0.000 2.595 278 G HA2 -0.014 3.946 3.960 0.000 0.000 0.213 278 G HA3 -0.014 3.946 3.960 0.000 0.000 0.213 278 G C 0.455 175.480 174.900 0.208 0.000 1.141 278 G CA 0.729 45.913 45.100 0.139 0.000 0.806 278 G HN 0.657 nan 8.290 nan 0.000 0.530 279 D N -0.442 120.136 120.400 0.297 0.000 3.012 279 D HA 0.134 4.774 4.640 0.000 0.000 0.230 279 D C -0.547 176.035 176.300 0.471 0.000 1.477 279 D CA 0.039 54.230 54.000 0.318 0.000 1.329 279 D CB 0.661 41.566 40.800 0.174 0.000 0.951 279 D HN -0.023 nan 8.370 nan 0.000 0.224 280 D N -0.823 119.809 120.400 0.386 0.000 2.433 280 D HA 0.420 5.060 4.640 0.000 0.000 0.236 280 D C 0.756 176.449 176.300 -1.011 0.000 1.026 280 D CA -0.562 53.328 54.000 -0.183 0.000 0.884 280 D CB 1.984 42.700 40.800 -0.141 0.000 1.384 280 D HN 0.320 nan 8.370 nan 0.000 0.477 281 G N 0.680 108.462 108.800 -1.696 0.000 2.454 281 G HA2 0.028 3.988 3.960 0.000 0.000 0.214 281 G HA3 0.028 3.988 3.960 0.000 0.000 0.214 281 G C 0.588 175.050 174.900 -0.730 0.000 1.217 281 G CA 0.538 44.695 45.100 -1.573 0.000 0.799 281 G HN 0.485 nan 8.290 nan 0.000 0.538 282 I N -0.028 120.149 120.570 -0.655 0.000 2.466 282 I HA 0.481 4.651 4.170 0.000 0.000 0.289 282 I C -0.706 175.225 176.117 -0.311 0.000 1.026 282 I CA -0.366 60.702 61.300 -0.386 0.000 1.078 282 I CB 2.684 40.511 38.000 -0.288 0.000 1.249 282 I HN 0.061 nan 8.210 nan 0.000 0.429 283 T N 3.417 117.807 114.554 -0.274 0.000 2.900 283 T HA 0.671 5.021 4.350 0.000 0.000 0.303 283 T C -0.887 173.651 174.700 -0.270 0.000 1.142 283 T CA -0.410 61.489 62.100 -0.335 0.000 1.007 283 T CB 1.698 70.240 68.868 -0.544 0.000 1.156 283 T HN 0.715 nan 8.240 nan 0.000 0.490 284 T N 1.060 115.390 114.554 -0.374 0.000 2.876 284 T HA 0.783 5.133 4.350 0.000 0.000 0.289 284 T C -1.321 173.063 174.700 -0.525 0.000 1.014 284 T CA -0.725 61.198 62.100 -0.295 0.000 0.986 284 T CB 1.270 69.994 68.868 -0.239 0.000 1.021 284 T HN 0.709 nan 8.240 nan 0.000 0.458 285 H N 0.627 119.588 119.070 -0.181 0.000 2.771 285 H HA 0.486 5.042 4.556 0.000 0.000 0.361 285 H C -0.201 175.033 175.328 -0.156 0.000 1.108 285 H CA -0.644 55.252 56.048 -0.254 0.000 1.201 285 H CB 0.836 30.521 29.762 -0.127 0.000 1.681 285 H HN 0.851 nan 8.280 nan 0.000 0.534 286 H N 0.332 119.384 119.070 -0.029 0.000 2.690 286 H HA -0.140 4.416 4.556 0.000 0.000 0.309 286 H C -0.593 174.675 175.328 -0.100 0.000 1.138 286 H CA 1.065 57.077 56.048 -0.059 0.000 1.142 286 H CB -1.414 28.343 29.762 -0.009 0.000 1.410 286 H HN 0.513 nan 8.280 nan 0.000 0.409 287 S N -0.059 115.572 115.700 -0.115 0.000 2.651 287 S HA 0.614 5.084 4.470 0.000 0.000 0.279 287 S C -0.197 174.222 174.600 -0.302 0.000 1.148 287 S CA -0.973 57.124 58.200 -0.172 0.000 0.837 287 S CB 3.423 66.551 63.200 -0.121 0.000 1.138 287 S HN 0.454 nan 8.310 nan 0.000 0.478 288 Q N -0.180 119.394 119.800 -0.376 0.000 2.462 288 Q HA 0.627 4.967 4.340 0.000 0.000 0.285 288 Q C -1.633 174.079 176.000 -0.480 0.000 1.035 288 Q CA -1.122 54.359 55.803 -0.536 0.000 0.799 288 Q CB 1.158 29.414 28.738 -0.803 0.000 1.452 288 Q HN 0.802 nan 8.270 nan 0.000 0.404 289 Y N -0.158 120.075 120.300 -0.112 0.000 2.978 289 Y HA -0.169 4.381 4.550 0.000 0.000 0.142 289 Y C -0.941 174.774 175.900 -0.310 0.000 1.837 289 Y CA -0.216 57.780 58.100 -0.174 0.000 0.947 289 Y CB -1.670 36.710 38.460 -0.134 0.000 1.519 289 Y HN 0.506 nan 8.280 nan 0.000 0.359 290 I N 2.001 122.438 120.570 -0.221 0.000 2.533 290 I HA 0.355 4.525 4.170 0.000 0.000 0.290 290 I C -0.315 175.558 176.117 -0.407 0.000 1.056 290 I CA -0.733 60.360 61.300 -0.344 0.000 1.057 290 I CB 2.035 39.891 38.000 -0.241 0.000 1.240 290 I HN 0.340 nan 8.210 nan 0.000 0.423 291 N N 6.934 125.294 118.700 -0.567 0.000 2.372 291 N HA 0.597 5.337 4.740 0.000 0.000 0.285 291 N C -1.223 174.182 175.510 -0.176 0.000 1.008 291 N CA -0.483 52.313 53.050 -0.424 0.000 0.880 291 N CB 2.649 40.726 38.487 -0.683 0.000 1.239 291 N HN 0.399 nan 8.380 nan 0.000 0.484 292 I N 3.857 124.375 120.570 -0.088 0.000 2.411 292 I HA 0.391 4.561 4.170 0.000 0.000 0.284 292 I C -0.770 175.358 176.117 0.019 0.000 1.012 292 I CA -0.447 60.857 61.300 0.006 0.000 1.119 292 I CB 1.229 39.242 38.000 0.021 0.000 1.261 292 I HN 0.230 nan 8.210 nan 0.000 0.448 293 L N 6.494 127.769 121.223 0.087 0.000 2.409 293 L HA 0.519 4.859 4.340 0.000 0.000 0.272 293 L C -0.125 176.809 176.870 0.107 0.000 0.980 293 L CA -0.842 54.050 54.840 0.087 0.000 0.826 293 L CB 1.686 43.824 42.059 0.132 0.000 1.268 293 L HN 0.583 nan 8.230 nan 0.000 0.407 294 N N 0.062 118.810 118.700 0.081 0.000 2.725 294 N HA -0.166 4.574 4.740 0.000 0.000 0.249 294 N C -0.439 175.164 175.510 0.155 0.000 1.103 294 N CA 0.582 53.688 53.050 0.092 0.000 0.707 294 N CB -1.763 36.773 38.487 0.083 0.000 1.043 294 N HN 0.507 nan 8.380 nan 0.000 0.553 295 C N 0.090 119.528 119.300 0.229 0.000 2.335 295 C HA 0.580 5.040 4.460 0.000 0.000 0.363 295 C C 0.536 175.842 174.990 0.528 0.000 1.198 295 C CA -0.708 58.527 59.018 0.362 0.000 2.279 295 C CB 0.767 28.780 27.740 0.455 0.000 2.334 295 C HN 0.389 nan 8.230 nan 0.000 0.559 296 Y N 0.965 121.457 120.300 0.319 0.000 2.329 296 Y HA 0.511 5.061 4.550 0.000 0.000 0.328 296 Y C -0.473 175.604 175.900 0.295 0.000 0.992 296 Y CA -0.755 57.536 58.100 0.318 0.000 1.151 296 Y CB 1.116 39.706 38.460 0.217 0.000 1.150 296 Y HN 0.691 nan 8.280 nan 0.000 0.450 297 S N 6.523 122.320 115.700 0.163 0.000 2.498 297 S HA 0.622 5.092 4.470 0.000 0.000 0.317 297 S C -1.450 173.160 174.600 0.016 0.000 1.090 297 S CA -0.572 57.543 58.200 -0.141 0.000 1.089 297 S CB 0.570 63.398 63.200 -0.620 0.000 0.997 297 S HN 0.841 nan 8.310 nan 0.000 0.470 298 H N -1.035 117.972 119.070 -0.105 0.000 3.046 298 H HA 0.583 5.139 4.556 0.000 0.000 0.361 298 H C -1.599 173.667 175.328 -0.103 0.000 1.235 298 H CA -1.066 54.918 56.048 -0.107 0.000 1.146 298 H CB 0.521 30.066 29.762 -0.362 0.000 1.859 298 H HN 0.351 nan 8.280 nan 0.000 0.548 299 D N 0.927 121.316 120.400 -0.019 0.000 3.082 299 D HA -0.104 4.536 4.640 0.000 0.000 0.234 299 D C -2.368 173.659 176.300 -0.455 0.000 1.159 299 D CA 0.329 54.259 54.000 -0.116 0.000 0.875 299 D CB -0.743 40.050 40.800 -0.010 0.000 0.946 299 D HN 0.484 nan 8.370 nan 0.000 0.411 300 P HA 0.089 nan 4.420 nan 0.000 0.272 300 P C 1.083 178.178 177.300 -0.342 0.000 1.230 300 P CA -0.243 62.369 63.100 -0.814 0.000 0.788 300 P CB 0.810 32.339 31.700 -0.286 0.000 0.949 301 R N 0.316 120.641 120.500 -0.292 0.000 2.090 301 R HA 0.065 4.405 4.340 0.000 0.000 0.228 301 R C 0.859 177.099 176.300 -0.100 0.000 1.110 301 R CA 0.896 56.907 56.100 -0.148 0.000 0.973 301 R CB -0.366 29.873 30.300 -0.102 0.000 0.869 301 R HN 0.434 nan 8.270 nan 0.000 0.440 302 L N -0.814 120.376 121.223 -0.055 0.000 2.376 302 L HA 0.301 4.641 4.340 0.000 0.000 0.267 302 L C 0.834 177.689 176.870 -0.025 0.000 1.035 302 L CA -0.495 54.326 54.840 -0.031 0.000 0.800 302 L CB 1.560 43.630 42.059 0.019 0.000 1.290 302 L HN 0.027 nan 8.230 nan 0.000 0.462 303 T N -3.155 111.352 114.554 -0.078 0.000 3.339 303 T HA 0.527 4.877 4.350 0.000 0.000 0.292 303 T C 0.186 174.930 174.700 0.075 0.000 1.012 303 T CA -0.098 61.877 62.100 -0.209 0.000 0.937 303 T CB 0.487 69.085 68.868 -0.450 0.000 1.164 303 T HN 0.574 nan 8.240 nan 0.000 0.509 304 A N 2.229 125.133 122.820 0.139 0.000 3.176 304 A HA 0.582 4.902 4.320 0.000 0.000 0.182 304 A C 0.815 178.463 177.584 0.105 0.000 2.036 304 A CA -0.554 51.539 52.037 0.093 0.000 0.938 304 A CB -0.351 18.692 19.000 0.073 0.000 1.909 304 A HN 0.381 nan 8.150 nan 0.000 0.760 305 N N -0.341 118.393 118.700 0.058 0.000 3.178 305 N HA 0.170 4.910 4.740 0.000 0.000 0.300 305 N C -1.316 174.308 175.510 0.189 0.000 1.242 305 N CA -0.031 53.052 53.050 0.054 0.000 1.192 305 N CB -0.880 37.656 38.487 0.081 0.000 1.463 305 N HN 0.428 nan 8.380 nan 0.000 0.539 306 C N 2.352 121.798 119.300 0.244 0.000 2.225 306 C HA 0.475 4.935 4.460 0.000 0.000 0.323 306 C C -0.208 174.936 174.990 0.257 0.000 1.164 306 C CA -1.226 57.984 59.018 0.319 0.000 1.565 306 C CB -1.116 26.873 27.740 0.416 0.000 2.124 306 C HN 0.534 nan 8.230 nan 0.000 0.461 307 N N 1.145 119.973 118.700 0.212 0.000 2.384 307 N HA 0.378 5.118 4.740 0.000 0.000 0.301 307 N C 0.999 176.518 175.510 0.015 0.000 1.133 307 N CA -0.294 52.808 53.050 0.087 0.000 0.853 307 N CB 1.750 40.262 38.487 0.041 0.000 1.241 307 N HN 0.646 nan 8.380 nan 0.000 0.502 308 G N 0.339 109.143 108.800 0.006 0.000 2.434 308 G HA2 -0.064 3.896 3.960 0.000 0.000 0.214 308 G HA3 -0.064 3.896 3.960 0.000 0.000 0.214 308 G C -0.237 174.322 174.900 -0.568 0.000 1.202 308 G CA 0.854 45.868 45.100 -0.143 0.000 0.788 308 G HN 0.461 nan 8.290 nan 0.000 0.539 309 F N -0.103 119.796 119.950 -0.084 0.000 2.507 309 F HA 0.509 5.036 4.527 0.000 0.000 0.328 309 F C -0.218 175.493 175.800 -0.150 0.000 1.136 309 F CA -1.003 56.922 58.000 -0.126 0.000 0.930 309 F CB 2.464 41.405 39.000 -0.097 0.000 1.166 309 F HN 0.009 nan 8.300 nan 0.000 0.436 310 E N 4.336 124.487 120.200 -0.082 0.000 2.186 310 E HA 0.387 4.737 4.350 0.000 0.000 0.255 310 E C -1.185 175.280 176.600 -0.226 0.000 0.881 310 E CA -0.547 55.771 56.400 -0.137 0.000 0.752 310 E CB 0.845 30.443 29.700 -0.170 0.000 1.176 310 E HN 0.408 nan 8.360 nan 0.000 0.421 311 I N 4.253 124.711 120.570 -0.188 0.000 2.269 311 I HA 0.230 4.400 4.170 0.000 0.000 0.293 311 I C 0.255 176.199 176.117 -0.288 0.000 1.106 311 I CA -0.179 60.970 61.300 -0.252 0.000 1.248 311 I CB -0.123 37.748 38.000 -0.215 0.000 1.444 311 I HN 0.579 nan 8.210 nan 0.000 0.497 312 D N 4.058 124.202 120.400 -0.427 0.000 2.588 312 D HA 0.205 4.845 4.640 0.000 0.000 0.268 312 D C -0.569 175.487 176.300 -0.406 0.000 1.176 312 D CA -0.469 53.278 54.000 -0.422 0.000 1.080 312 D CB 1.083 41.520 40.800 -0.605 0.000 1.186 312 D HN 0.261 nan 8.370 nan 0.000 0.619 313 D N -0.191 120.025 120.400 -0.307 0.000 4.723 313 D HA 0.116 4.756 4.640 0.000 0.000 0.184 313 D C 1.169 177.028 176.300 -0.735 0.000 1.137 313 D CA 1.869 55.664 54.000 -0.342 0.000 0.724 313 D CB -0.303 40.410 40.800 -0.145 0.000 1.242 313 D HN 0.690 nan 8.370 nan 0.000 0.678 314 G N 1.794 110.302 108.800 -0.487 0.000 2.179 314 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 314 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 314 G C 0.580 175.261 174.900 -0.365 0.000 0.977 314 G CA 0.437 45.304 45.100 -0.389 0.000 0.641 314 G HN 0.607 nan 8.290 nan 0.000 0.533 315 S N 1.387 116.834 115.700 -0.420 0.000 2.579 315 S HA 0.638 5.108 4.470 0.000 0.000 0.275 315 S C 0.510 174.732 174.600 -0.629 0.000 1.345 315 S CA 0.529 58.467 58.200 -0.436 0.000 1.031 315 S CB 1.055 64.023 63.200 -0.387 0.000 0.892 315 S HN 1.004 nan 8.310 nan 0.000 0.529 316 R N 1.284 121.354 120.500 -0.716 0.000 2.664 316 R HA 0.274 4.614 4.340 0.000 0.000 0.266 316 R C -1.591 174.246 176.300 -0.772 0.000 1.046 316 R CA -0.669 54.766 56.100 -1.108 0.000 0.885 316 R CB 0.141 29.243 30.300 -1.996 0.000 1.254 316 R HN 0.827 nan 8.270 nan 0.000 0.465 317 H N -0.767 118.119 119.070 -0.306 0.000 2.847 317 H HA -0.078 4.478 4.556 0.000 0.000 0.336 317 H C -0.974 174.267 175.328 -0.145 0.000 1.221 317 H CA 0.521 56.493 56.048 -0.127 0.000 1.162 317 H CB -1.873 27.916 29.762 0.045 0.000 1.566 317 H HN 0.431 nan 8.280 nan 0.000 0.430 318 V N 1.051 120.892 119.914 -0.121 0.000 2.604 318 V HA 0.499 4.619 4.120 0.000 0.000 0.305 318 V C 0.505 176.509 176.094 -0.150 0.000 1.043 318 V CA -0.914 61.287 62.300 -0.165 0.000 0.888 318 V CB 2.856 34.552 31.823 -0.212 0.000 0.995 318 V HN 0.181 nan 8.190 nan 0.000 0.429 319 V N 5.916 125.733 119.914 -0.161 0.000 2.417 319 V HA 0.533 4.653 4.120 0.000 0.000 0.291 319 V C -0.583 175.427 176.094 -0.141 0.000 1.024 319 V CA -0.477 61.739 62.300 -0.140 0.000 0.861 319 V CB 1.652 33.401 31.823 -0.124 0.000 0.985 319 V HN 0.640 nan 8.190 nan 0.000 0.436 320 L N 4.214 125.356 121.223 -0.136 0.000 2.322 320 L HA 0.751 5.091 4.340 0.000 0.000 0.281 320 L C 0.014 176.827 176.870 -0.095 0.000 1.014 320 L CA 0.209 54.963 54.840 -0.143 0.000 0.815 320 L CB 1.956 43.885 42.059 -0.217 0.000 1.247 320 L HN 0.641 nan 8.230 nan 0.000 0.421 321 S N 2.392 118.054 115.700 -0.063 0.000 2.572 321 S HA 0.474 4.944 4.470 0.000 0.000 0.274 321 S C -0.347 174.248 174.600 -0.008 0.000 1.150 321 S CA -0.566 57.620 58.200 -0.023 0.000 0.944 321 S CB 0.583 63.779 63.200 -0.007 0.000 1.071 321 S HN 0.694 nan 8.310 nan 0.000 0.479 322 N N 2.274 120.973 118.700 -0.002 0.000 2.747 322 N HA -0.137 4.603 4.740 0.000 0.000 0.249 322 N C -0.654 174.839 175.510 -0.028 0.000 1.107 322 N CA 0.919 53.960 53.050 -0.015 0.000 0.707 322 N CB -1.502 36.985 38.487 -0.001 0.000 1.054 322 N HN 0.684 nan 8.380 nan 0.000 0.555 323 N N 0.682 119.354 118.700 -0.047 0.000 2.434 323 N HA 0.329 5.069 4.740 0.000 0.000 0.266 323 N C 0.355 175.735 175.510 -0.218 0.000 1.223 323 N CA -0.120 52.895 53.050 -0.058 0.000 0.972 323 N CB 1.452 39.758 38.487 -0.301 0.000 1.207 323 N HN 0.227 nan 8.380 nan 0.000 0.525 324 R N -0.090 120.432 120.500 0.036 0.000 2.686 324 R HA 0.346 4.686 4.340 0.000 0.000 0.283 324 R C -1.057 175.550 176.300 0.511 0.000 0.978 324 R CA -0.510 55.591 56.100 0.003 0.000 0.897 324 R CB 1.090 31.369 30.300 -0.035 0.000 1.192 324 R HN 0.790 nan 8.270 nan 0.000 0.457 325 S N 2.652 118.610 115.700 0.430 0.000 2.532 325 S HA 0.575 5.045 4.470 0.000 0.000 0.301 325 S C -0.934 173.886 174.600 0.368 0.000 1.083 325 S CA -0.916 57.599 58.200 0.524 0.000 1.025 325 S CB 2.260 65.793 63.200 0.554 0.000 1.056 325 S HN 0.638 nan 8.310 nan 0.000 0.494 326 K N 0.435 121.039 120.400 0.340 0.000 2.535 326 K HA 0.539 4.859 4.320 0.000 0.000 0.251 326 K C 0.420 177.143 176.600 0.205 0.000 0.942 326 K CA -0.034 56.413 56.287 0.266 0.000 0.798 326 K CB 1.071 33.769 32.500 0.331 0.000 1.267 326 K HN 1.421 nan 8.250 nan 0.000 0.434 327 G N 2.244 111.138 108.800 0.157 0.000 2.221 327 G HA2 -0.260 3.700 3.960 0.000 0.000 0.265 327 G HA3 -0.260 3.700 3.960 0.000 0.000 0.265 327 G C -0.001 174.997 174.900 0.163 0.000 1.041 327 G CA 0.370 45.574 45.100 0.173 0.000 0.807 327 G HN 0.605 nan 8.290 nan 0.000 0.502 328 C N -2.103 117.200 119.300 0.004 0.000 2.547 328 C HA 0.720 5.180 4.460 0.000 0.000 0.411 328 C C 1.645 176.204 174.990 -0.719 0.000 1.424 328 C CA -0.097 58.787 59.018 -0.223 0.000 1.848 328 C CB 0.922 28.646 27.740 -0.027 0.000 2.062 328 C HN 0.423 nan 8.230 nan 0.000 0.504 329 Y N 1.466 121.125 120.300 -1.068 0.000 2.144 329 Y HA 0.266 4.816 4.550 0.000 0.000 0.279 329 Y C 1.359 177.045 175.900 -0.357 0.000 1.099 329 Y CA 1.742 59.328 58.100 -0.856 0.000 1.087 329 Y CB -1.016 37.102 38.460 -0.570 0.000 1.007 329 Y HN 0.683 nan 8.280 nan 0.000 0.482 330 G N -0.241 108.285 108.800 -0.457 0.000 2.377 330 G HA2 0.410 4.370 3.960 0.000 0.000 0.299 330 G HA3 0.410 4.370 3.960 0.000 0.000 0.299 330 G C 0.788 175.563 174.900 -0.210 0.000 1.150 330 G CA -0.101 44.755 45.100 -0.407 0.000 0.847 330 G HN 0.685 nan 8.290 nan 0.000 0.501 331 G N 1.083 109.737 108.800 -0.243 0.000 2.496 331 G HA2 0.040 4.000 3.960 0.000 0.000 0.214 331 G HA3 0.040 4.000 3.960 0.000 0.000 0.214 331 G C 0.560 175.438 174.900 -0.038 0.000 1.234 331 G CA 0.231 45.264 45.100 -0.110 0.000 0.807 331 G HN 0.574 nan 8.290 nan 0.000 0.543 332 I N 0.849 121.297 120.570 -0.202 0.000 2.382 332 I HA 0.299 4.469 4.170 0.000 0.000 0.286 332 I C -0.671 175.462 176.117 0.026 0.000 1.002 332 I CA -0.425 60.842 61.300 -0.055 0.000 1.135 332 I CB 2.146 40.093 38.000 -0.088 0.000 1.288 332 I HN 0.216 nan 8.210 nan 0.000 0.448 333 E N 7.723 127.942 120.200 0.030 0.000 2.175 333 E HA 0.559 4.909 4.350 0.000 0.000 0.278 333 E C -1.261 175.371 176.600 0.053 0.000 0.969 333 E CA -0.573 55.862 56.400 0.058 0.000 0.796 333 E CB 1.368 31.083 29.700 0.025 0.000 1.104 333 E HN 0.524 nan 8.360 nan 0.000 0.395 334 I N 5.534 126.178 120.570 0.124 0.000 2.410 334 I HA 0.374 4.544 4.170 0.000 0.000 0.286 334 I C -0.293 175.872 176.117 0.082 0.000 1.009 334 I CA -0.505 60.776 61.300 -0.032 0.000 1.111 334 I CB 1.182 38.987 38.000 -0.325 0.000 1.262 334 I HN 0.582 nan 8.210 nan 0.000 0.443 335 K N 5.334 125.755 120.400 0.035 0.000 2.580 335 K HA 0.954 5.274 4.320 0.000 0.000 0.288 335 K C -1.902 174.639 176.600 -0.098 0.000 1.041 335 K CA -0.892 55.442 56.287 0.078 0.000 0.855 335 K CB 1.960 34.498 32.500 0.063 0.000 1.543 335 K HN 0.473 nan 8.250 nan 0.000 0.388 336 A N 0.321 123.062 122.820 -0.132 0.000 2.594 336 A HA 0.604 4.924 4.320 0.000 0.000 0.291 336 A C -1.537 176.062 177.584 0.024 0.000 1.105 336 A CA -0.858 51.090 52.037 -0.147 0.000 0.694 336 A CB 0.675 19.507 19.000 -0.281 0.000 1.291 336 A HN 0.756 nan 8.150 nan 0.000 0.410 337 H N -0.335 118.865 119.070 0.216 0.000 2.660 337 H HA 0.357 4.913 4.556 0.000 0.000 0.374 337 H C 1.738 177.239 175.328 0.287 0.000 1.291 337 H CA 1.016 57.202 56.048 0.231 0.000 1.437 337 H CB 0.765 30.662 29.762 0.224 0.000 1.509 337 H HN 0.769 nan 8.280 nan 0.000 0.614 338 G N -0.172 108.804 108.800 0.293 0.000 2.432 338 G HA2 -0.197 3.763 3.960 0.000 0.000 0.219 338 G HA3 -0.197 3.763 3.960 0.000 0.000 0.219 338 G C 0.439 175.472 174.900 0.222 0.000 1.135 338 G CA 0.765 45.962 45.100 0.162 0.000 0.767 338 G HN 0.632 nan 8.290 nan 0.000 0.550 339 D N 0.861 121.407 120.400 0.243 0.000 2.722 339 D HA 0.516 5.156 4.640 0.000 0.000 0.239 339 D C 0.436 176.947 176.300 0.352 0.000 1.249 339 D CA 0.299 54.443 54.000 0.240 0.000 0.830 339 D CB 0.751 41.646 40.800 0.158 0.000 1.025 339 D HN 0.304 nan 8.370 nan 0.000 0.486 340 A N 1.371 124.420 122.820 0.382 0.000 2.587 340 A HA 0.635 4.955 4.320 0.000 0.000 0.293 340 A C -2.875 174.855 177.584 0.242 0.000 1.087 340 A CA -1.352 50.884 52.037 0.333 0.000 0.692 340 A CB 2.085 21.317 19.000 0.388 0.000 1.291 340 A HN -0.183 nan 8.150 nan 0.000 0.407 341 P HA 0.449 nan 4.420 nan 0.000 0.280 341 P C -0.076 177.089 177.300 -0.224 0.000 1.244 341 P CA 0.174 63.262 63.100 -0.020 0.000 0.784 341 P CB 1.334 33.063 31.700 0.048 0.000 0.913 342 A N 3.452 125.949 122.820 -0.538 0.000 2.425 342 A HA 0.466 4.786 4.320 0.000 0.000 0.242 342 A C 0.712 178.193 177.584 -0.171 0.000 1.077 342 A CA -0.171 51.530 52.037 -0.561 0.000 0.781 342 A CB -0.410 18.087 19.000 -0.839 0.000 1.020 342 A HN 0.661 nan 8.150 nan 0.000 0.494 343 A N 0.991 123.736 122.820 -0.124 0.000 2.531 343 A HA 0.503 4.823 4.320 0.000 0.000 0.236 343 A C -0.176 177.432 177.584 0.040 0.000 1.062 343 A CA 0.571 52.522 52.037 -0.142 0.000 0.760 343 A CB -0.464 18.423 19.000 -0.190 0.000 0.995 343 A HN 1.654 nan 8.150 nan 0.000 0.501 344 Y N -0.655 119.563 120.300 -0.136 0.000 2.553 344 Y HA 0.617 5.167 4.550 0.000 0.000 0.347 344 Y C -0.061 175.752 175.900 -0.144 0.000 1.019 344 Y CA -1.502 56.553 58.100 -0.076 0.000 1.032 344 Y CB 1.047 39.462 38.460 -0.075 0.000 1.284 344 Y HN 0.746 nan 8.280 nan 0.000 0.466 345 N N 1.275 120.043 118.700 0.113 0.000 2.648 345 N HA -0.142 4.598 4.740 0.000 0.000 0.265 345 N C -1.814 173.658 175.510 -0.064 0.000 1.100 345 N CA 0.568 53.661 53.050 0.071 0.000 0.715 345 N CB -0.746 37.899 38.487 0.263 0.000 0.881 345 N HN 0.676 nan 8.380 nan 0.000 0.548 346 I N 0.070 120.558 120.570 -0.137 0.000 2.474 346 I HA 0.423 4.593 4.170 0.000 0.000 0.294 346 I C 0.487 176.485 176.117 -0.198 0.000 1.005 346 I CA -0.704 60.474 61.300 -0.204 0.000 1.113 346 I CB 1.528 39.346 38.000 -0.303 0.000 1.289 346 I HN 0.328 nan 8.210 nan 0.000 0.436 347 S N 7.025 122.626 115.700 -0.164 0.000 2.502 347 S HA 0.722 5.192 4.470 0.000 0.000 0.304 347 S C -0.796 173.716 174.600 -0.146 0.000 1.097 347 S CA -0.565 57.551 58.200 -0.140 0.000 1.045 347 S CB 0.857 64.001 63.200 -0.093 0.000 1.019 347 S HN 0.416 nan 8.310 nan 0.000 0.481 348 I N 4.729 125.214 120.570 -0.142 0.000 2.359 348 I HA 0.313 4.483 4.170 0.000 0.000 0.284 348 I C -0.091 175.976 176.117 -0.082 0.000 1.018 348 I CA -0.598 60.633 61.300 -0.116 0.000 1.173 348 I CB 1.238 39.168 38.000 -0.116 0.000 1.326 348 I HN 0.569 nan 8.210 nan 0.000 0.462 349 N N 5.891 124.555 118.700 -0.060 0.000 3.322 349 N HA 0.399 5.139 4.740 0.000 0.000 0.290 349 N C -0.048 175.450 175.510 -0.020 0.000 1.297 349 N CA 0.245 53.271 53.050 -0.040 0.000 1.167 349 N CB 0.345 38.812 38.487 -0.032 0.000 1.434 349 N HN 0.859 nan 8.380 nan 0.000 0.526 350 G N 1.431 110.221 108.800 -0.015 0.000 3.039 350 G HA2 -0.061 3.899 3.960 0.000 0.000 0.686 350 G HA3 -0.061 3.899 3.960 0.000 0.000 0.686 350 G C -1.360 173.591 174.900 0.085 0.000 1.066 350 G CA -0.626 44.481 45.100 0.013 0.000 0.774 350 G HN 0.774 nan 8.290 nan 0.000 0.591 351 H N 1.307 120.381 119.070 0.006 0.000 3.064 351 H HA 0.735 5.291 4.556 0.000 0.000 0.352 351 H C -0.602 174.810 175.328 0.141 0.000 1.260 351 H CA -0.737 55.355 56.048 0.072 0.000 1.160 351 H CB 1.635 31.510 29.762 0.189 0.000 1.879 351 H HN 0.826 nan 8.280 nan 0.000 0.544 352 M N 4.016 123.367 119.600 -0.416 0.000 2.190 352 M HA 0.376 4.856 4.480 0.000 0.000 0.312 352 M C -1.308 174.885 176.300 -0.178 0.000 0.990 352 M CA -0.598 54.606 55.300 -0.160 0.000 0.927 352 M CB 1.156 33.674 32.600 -0.137 0.000 1.571 352 M HN 0.555 nan 8.290 nan 0.000 0.427 353 S N 4.746 120.492 115.700 0.077 0.000 2.456 353 S HA 0.664 5.134 4.470 0.000 0.000 0.316 353 S C -1.261 173.379 174.600 0.067 0.000 1.089 353 S CA -0.563 57.681 58.200 0.073 0.000 1.101 353 S CB 1.050 64.207 63.200 -0.072 0.000 0.995 353 S HN 0.574 nan 8.310 nan 0.000 0.468 354 V N 5.373 125.339 119.914 0.086 0.000 2.378 354 V HA 0.457 4.577 4.120 0.000 0.000 0.288 354 V C 0.260 176.411 176.094 0.096 0.000 1.016 354 V CA -0.594 61.759 62.300 0.089 0.000 0.840 354 V CB 0.642 32.519 31.823 0.090 0.000 0.994 354 V HN 1.123 nan 8.190 nan 0.000 0.431 355 E N 1.586 121.839 120.200 0.088 0.000 2.440 355 E HA -0.202 4.148 4.350 0.000 0.000 0.246 355 E C -0.055 176.593 176.600 0.079 0.000 1.165 355 E CA 0.568 57.023 56.400 0.091 0.000 0.726 355 E CB -0.551 29.210 29.700 0.102 0.000 1.271 355 E HN 0.811 nan 8.360 nan 0.000 0.397 356 D N -0.842 119.574 120.400 0.028 0.000 2.411 356 D HA 0.128 4.768 4.640 0.000 0.000 0.251 356 D C 1.491 177.751 176.300 -0.066 0.000 1.201 356 D CA -0.236 53.732 54.000 -0.053 0.000 0.996 356 D CB 1.283 42.008 40.800 -0.125 0.000 1.101 356 D HN -0.116 nan 8.370 nan 0.000 0.504 357 V N 0.480 120.298 119.914 -0.160 0.000 2.331 357 V HA -0.058 4.062 4.120 0.000 0.000 0.242 357 V C 1.036 177.002 176.094 -0.212 0.000 1.034 357 V CA 1.278 63.511 62.300 -0.112 0.000 1.027 357 V CB -0.160 31.655 31.823 -0.013 0.000 0.667 357 V HN 0.327 nan 8.190 nan 0.000 0.457 358 R N -0.208 120.033 120.500 -0.432 0.000 2.407 358 R HA 0.396 4.736 4.340 0.000 0.000 0.298 358 R C 0.906 176.960 176.300 -0.411 0.000 1.166 358 R CA -0.066 55.798 56.100 -0.393 0.000 1.006 358 R CB 1.471 31.483 30.300 -0.480 0.000 1.145 358 R HN 0.230 nan 8.270 nan 0.000 0.538 359 S N 1.480 116.964 115.700 -0.360 0.000 2.365 359 S HA -0.140 4.330 4.470 0.000 0.000 0.225 359 S C 0.170 174.188 174.600 -0.970 0.000 1.039 359 S CA 1.424 59.267 58.200 -0.595 0.000 1.033 359 S CB -0.082 62.801 63.200 -0.528 0.000 0.887 359 S HN 0.463 nan 8.310 nan 0.000 0.447 360 Y N 0.762 120.913 120.300 -0.248 0.000 2.326 360 Y HA 0.489 5.039 4.550 0.000 0.000 0.329 360 Y C -0.058 175.455 175.900 -0.645 0.000 0.973 360 Y CA -0.767 57.088 58.100 -0.408 0.000 1.162 360 Y CB 0.945 39.147 38.460 -0.430 0.000 1.147 360 Y HN 0.052 nan 8.280 nan 0.000 0.456 361 N N 4.982 123.419 118.700 -0.437 0.000 2.577 361 N HA 0.417 5.157 4.740 0.000 0.000 0.275 361 N C -1.969 173.525 175.510 -0.026 0.000 1.091 361 N CA -0.310 52.555 53.050 -0.308 0.000 0.843 361 N CB 0.798 39.153 38.487 -0.221 0.000 1.295 361 N HN 0.490 nan 8.380 nan 0.000 0.530 362 F N 3.629 123.568 119.950 -0.018 0.000 2.444 362 F HA 0.575 5.102 4.527 0.000 0.000 0.342 362 F C 0.599 176.519 175.800 0.200 0.000 1.121 362 F CA -1.070 56.907 58.000 -0.038 0.000 0.997 362 F CB 1.504 40.342 39.000 -0.270 0.000 1.130 362 F HN 0.289 nan 8.300 nan 0.000 0.454 363 R N 1.233 122.077 120.500 0.573 0.000 2.712 363 R HA 0.421 4.761 4.340 0.000 0.000 0.272 363 R C -2.213 174.414 176.300 0.544 0.000 1.032 363 R CA -1.083 55.373 56.100 0.594 0.000 0.874 363 R CB 2.275 32.818 30.300 0.405 0.000 1.256 363 R HN 0.834 nan 8.270 nan 0.000 0.468 364 H N 1.822 121.069 119.070 0.295 0.000 3.036 364 H HA 0.370 4.926 4.556 0.000 0.000 0.295 364 H C -0.486 174.673 175.328 -0.282 0.000 1.124 364 H CA -0.828 55.202 56.048 -0.031 0.000 1.507 364 H CB 0.907 30.555 29.762 -0.190 0.000 1.591 364 H HN 0.495 nan 8.280 nan 0.000 0.510 365 I N 4.097 124.717 120.570 0.083 0.000 2.845 365 I HA -0.088 4.082 4.170 0.000 0.000 0.296 365 I C 1.463 177.454 176.117 -0.209 0.000 1.216 365 I CA 1.917 63.188 61.300 -0.048 0.000 1.438 365 I CB 0.556 38.623 38.000 0.112 0.000 1.342 365 I HN 1.069 nan 8.210 nan 0.000 0.577 366 G N 4.302 112.909 108.800 -0.323 0.000 2.176 366 G HA2 -0.283 3.677 3.960 0.000 0.000 0.253 366 G HA3 -0.283 3.677 3.960 0.000 0.000 0.253 366 G C 0.237 174.641 174.900 -0.827 0.000 0.979 366 G CA 0.042 44.854 45.100 -0.480 0.000 0.641 366 G HN 0.814 nan 8.290 nan 0.000 0.530 367 H N -1.499 117.245 119.070 -0.543 0.000 2.651 367 H HA 0.495 5.051 4.556 0.000 0.000 0.241 367 H C 1.124 176.307 175.328 -0.242 0.000 1.225 367 H CA -0.063 55.747 56.048 -0.398 0.000 0.942 367 H CB 0.179 29.648 29.762 -0.488 0.000 1.996 367 H HN 0.582 nan 8.280 nan 0.000 0.600 368 H N -0.689 118.398 119.070 0.028 0.000 2.695 368 H HA 0.450 5.006 4.556 0.000 0.000 0.267 368 H C 1.178 176.597 175.328 0.150 0.000 0.973 368 H CA 0.157 56.268 56.048 0.104 0.000 1.223 368 H CB 0.822 30.577 29.762 -0.013 0.000 1.442 368 H HN 0.303 nan 8.280 nan 0.000 0.478 369 A N 1.074 123.997 122.820 0.171 0.000 2.445 369 A HA 0.396 4.716 4.320 0.000 0.000 0.242 369 A C 1.608 179.253 177.584 0.103 0.000 1.075 369 A CA 0.418 52.536 52.037 0.135 0.000 0.777 369 A CB 0.078 19.110 19.000 0.053 0.000 1.013 369 A HN 0.505 nan 8.150 nan 0.000 0.493 370 A N 1.228 124.103 122.820 0.092 0.000 2.019 370 A HA -0.030 4.290 4.320 0.000 0.000 0.219 370 A C 1.850 179.454 177.584 0.033 0.000 1.164 370 A CA 2.176 54.247 52.037 0.056 0.000 0.644 370 A CB -0.832 18.192 19.000 0.040 0.000 0.805 370 A HN 1.417 nan 8.150 nan 0.000 0.449 371 T N -3.303 111.266 114.554 0.025 0.000 3.145 371 T HA 0.632 4.982 4.350 0.000 0.000 0.255 371 T C 0.437 175.131 174.700 -0.009 0.000 1.039 371 T CA 0.317 62.421 62.100 0.007 0.000 0.928 371 T CB -0.115 68.756 68.868 0.006 0.000 1.029 371 T HN 0.547 nan 8.240 nan 0.000 0.554 372 A N 2.656 125.468 122.820 -0.014 0.000 2.294 372 A HA 0.797 5.117 4.320 0.000 0.000 0.330 372 A C -2.510 175.059 177.584 -0.026 0.000 1.133 372 A CA -2.096 49.908 52.037 -0.054 0.000 0.836 372 A CB 0.648 19.585 19.000 -0.105 0.000 1.190 372 A HN 0.280 nan 8.150 nan 0.000 0.492 373 P HA 0.211 nan 4.420 nan 0.000 0.274 373 P C -0.678 176.676 177.300 0.090 0.000 1.231 373 P CA -0.245 62.872 63.100 0.028 0.000 0.790 373 P CB 0.551 32.273 31.700 0.037 0.000 0.951 374 Q N 1.430 121.268 119.800 0.064 0.000 2.361 374 Q HA 0.122 4.462 4.340 0.000 0.000 0.276 374 Q C 0.158 176.180 176.000 0.035 0.000 1.022 374 Q CA 0.240 56.078 55.803 0.058 0.000 0.898 374 Q CB 0.189 28.940 28.738 0.023 0.000 1.246 374 Q HN 0.435 nan 8.270 nan 0.000 0.410 375 S N 2.255 117.917 115.700 -0.063 0.000 2.546 375 S HA 0.049 4.519 4.470 0.000 0.000 0.290 375 S C 0.796 175.295 174.600 -0.167 0.000 1.290 375 S CA -0.067 57.954 58.200 -0.299 0.000 1.069 375 S CB 0.195 63.260 63.200 -0.224 0.000 0.846 375 S HN 0.695 nan 8.310 nan 0.000 0.495 376 V N 2.883 122.697 119.914 -0.167 0.000 3.649 376 V HA 0.162 4.282 4.120 0.000 0.000 0.275 376 V C 1.357 177.342 176.094 -0.181 0.000 1.281 376 V CA 1.119 63.333 62.300 -0.143 0.000 1.143 376 V CB -0.413 31.346 31.823 -0.107 0.000 0.892 376 V HN 0.869 nan 8.190 nan 0.000 0.441 377 S N 0.387 115.971 115.700 -0.195 0.000 2.575 377 S HA 0.486 4.956 4.470 0.000 0.000 0.230 377 S C 1.324 175.795 174.600 -0.216 0.000 1.062 377 S CA 0.504 58.569 58.200 -0.224 0.000 0.913 377 S CB -0.013 63.085 63.200 -0.169 0.000 0.837 377 S HN 0.978 nan 8.310 nan 0.000 0.487 378 A N 2.249 124.873 122.820 -0.327 0.000 2.785 378 A HA 0.527 4.847 4.320 0.000 0.000 0.294 378 A C -0.031 177.422 177.584 -0.218 0.000 1.597 378 A CA -0.183 51.446 52.037 -0.680 0.000 1.283 378 A CB -0.551 17.756 19.000 -1.155 0.000 1.088 378 A HN 0.511 nan 8.150 nan 0.000 0.568 379 K N 1.385 121.877 120.400 0.155 0.000 2.502 379 K HA 0.478 4.798 4.320 0.000 0.000 0.257 379 K C -1.078 175.721 176.600 0.332 0.000 0.938 379 K CA -1.166 55.317 56.287 0.326 0.000 0.819 379 K CB 1.645 34.261 32.500 0.194 0.000 1.333 379 K HN 0.471 nan 8.250 nan 0.000 0.434 380 N N 1.180 120.034 118.700 0.256 0.000 2.469 380 N HA -0.156 4.584 4.740 0.000 0.000 0.283 380 N C -1.700 173.802 175.510 -0.013 0.000 1.326 380 N CA 0.541 53.660 53.050 0.114 0.000 0.646 380 N CB -0.972 37.604 38.487 0.148 0.000 0.894 380 N HN 0.489 nan 8.380 nan 0.000 0.533 381 I N 0.871 121.364 120.570 -0.129 0.000 2.447 381 I HA 0.461 4.631 4.170 0.000 0.000 0.287 381 I C -0.284 175.710 176.117 -0.206 0.000 1.023 381 I CA -1.079 60.046 61.300 -0.291 0.000 1.083 381 I CB 1.925 39.543 38.000 -0.636 0.000 1.245 381 I HN -0.020 nan 8.210 nan 0.000 0.434 382 V N 5.444 125.253 119.914 -0.175 0.000 2.378 382 V HA 0.767 4.887 4.120 0.000 0.000 0.288 382 V C -0.037 175.978 176.094 -0.132 0.000 1.016 382 V CA -0.423 61.804 62.300 -0.122 0.000 0.840 382 V CB 1.474 33.250 31.823 -0.080 0.000 0.994 382 V HN 0.813 nan 8.190 nan 0.000 0.431 383 A N 3.877 126.630 122.820 -0.111 0.000 2.359 383 A HA 0.919 5.239 4.320 0.000 0.000 0.303 383 A C -0.405 177.116 177.584 -0.105 0.000 1.066 383 A CA -0.425 51.544 52.037 -0.114 0.000 0.730 383 A CB 1.769 20.716 19.000 -0.088 0.000 1.211 383 A HN 0.690 nan 8.150 nan 0.000 0.439 384 S N 1.196 116.835 115.700 -0.103 0.000 2.588 384 S HA 0.574 5.044 4.470 0.000 0.000 0.275 384 S C -0.050 174.504 174.600 -0.077 0.000 1.130 384 S CA -0.722 57.430 58.200 -0.081 0.000 0.855 384 S CB 1.300 64.467 63.200 -0.056 0.000 1.116 384 S HN 0.870 nan 8.310 nan 0.000 0.472 385 N N 1.217 119.882 118.700 -0.059 0.000 2.688 385 N HA -0.146 4.594 4.740 0.000 0.000 0.258 385 N C -1.107 174.380 175.510 -0.037 0.000 1.016 385 N CA 0.430 53.459 53.050 -0.036 0.000 0.747 385 N CB -1.106 37.369 38.487 -0.020 0.000 0.895 385 N HN 0.577 nan 8.380 nan 0.000 0.543 386 L N 0.487 121.658 121.223 -0.086 0.000 2.292 386 L HA 0.456 4.796 4.340 0.000 0.000 0.284 386 L C 0.589 177.489 176.870 0.050 0.000 1.065 386 L CA -0.724 54.043 54.840 -0.122 0.000 0.806 386 L CB 1.496 43.251 42.059 -0.507 0.000 1.175 386 L HN -0.186 nan 8.230 nan 0.000 0.431 387 V N 2.173 122.207 119.914 0.200 0.000 2.495 387 V HA 0.433 4.553 4.120 0.000 0.000 0.298 387 V C -0.103 176.180 176.094 0.314 0.000 1.031 387 V CA -0.404 62.016 62.300 0.200 0.000 0.871 387 V CB 1.831 33.721 31.823 0.111 0.000 0.988 387 V HN 0.797 nan 8.190 nan 0.000 0.432 388 S N 5.451 121.316 115.700 0.275 0.000 2.561 388 S HA 0.788 5.258 4.470 0.000 0.000 0.303 388 S C -1.066 173.672 174.600 0.231 0.000 1.110 388 S CA -0.451 57.894 58.200 0.242 0.000 1.034 388 S CB 0.782 64.135 63.200 0.254 0.000 1.010 388 S HN 0.534 nan 8.310 nan 0.000 0.482 389 I N 4.391 125.068 120.570 0.179 0.000 2.418 389 I HA 0.517 4.687 4.170 0.000 0.000 0.287 389 I C 0.298 176.510 176.117 0.158 0.000 1.008 389 I CA -0.784 60.627 61.300 0.185 0.000 1.104 389 I CB 1.648 39.724 38.000 0.127 0.000 1.264 389 I HN 0.779 nan 8.210 nan 0.000 0.438 390 R N 3.157 123.751 120.500 0.156 0.000 3.225 390 R HA -0.141 4.199 4.340 0.000 0.000 0.245 390 R C -2.385 173.991 176.300 0.126 0.000 0.928 390 R CA -0.229 55.933 56.100 0.102 0.000 0.632 390 R CB -1.666 28.683 30.300 0.082 0.000 1.038 390 R HN 0.374 nan 8.270 nan 0.000 0.461 391 P HA -0.001 nan 4.420 nan 0.000 0.268 391 P C -0.602 176.776 177.300 0.130 0.000 1.205 391 P CA 0.243 63.420 63.100 0.128 0.000 0.771 391 P CB 0.811 32.586 31.700 0.125 0.000 0.858 392 N N 0.427 119.191 118.700 0.106 0.000 3.046 392 N HA 0.239 4.979 4.740 0.000 0.000 0.243 392 N C -1.063 174.534 175.510 0.144 0.000 1.452 392 N CA -0.818 52.303 53.050 0.117 0.000 0.882 392 N CB 0.393 38.944 38.487 0.107 0.000 1.425 392 N HN 0.055 nan 8.380 nan 0.000 0.517 393 N N -0.359 118.433 118.700 0.153 0.000 2.599 393 N HA 0.270 5.010 4.740 0.000 0.000 0.309 393 N C -0.417 175.185 175.510 0.153 0.000 1.743 393 N CA -0.229 52.944 53.050 0.206 0.000 0.918 393 N CB 0.336 38.952 38.487 0.216 0.000 1.339 393 N HN 0.603 nan 8.380 nan 0.000 0.493 394 K N -0.335 120.143 120.400 0.129 0.000 2.152 394 K HA -0.001 4.319 4.320 0.000 0.000 0.206 394 K C 1.406 178.031 176.600 0.043 0.000 1.048 394 K CA 1.067 57.401 56.287 0.078 0.000 0.933 394 K CB 0.277 32.819 32.500 0.071 0.000 0.721 394 K HN 0.208 nan 8.250 nan 0.000 0.447 395 R N -0.606 119.922 120.500 0.046 0.000 2.275 395 R HA 0.008 4.348 4.340 0.000 0.000 0.199 395 R C 0.829 177.009 176.300 -0.201 0.000 0.989 395 R CA 0.672 56.699 56.100 -0.123 0.000 1.016 395 R CB 0.332 30.466 30.300 -0.276 0.000 0.918 395 R HN 0.386 nan 8.270 nan 0.000 0.473 396 G N 1.209 109.979 108.800 -0.050 0.000 2.160 396 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 396 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 396 G C 0.023 174.899 174.900 -0.040 0.000 1.022 396 G CA -0.359 44.723 45.100 -0.031 0.000 0.741 396 G HN 0.198 nan 8.290 nan 0.000 0.508 397 F N 0.441 120.415 119.950 0.040 0.000 2.629 397 F HA 0.257 4.784 4.527 0.000 0.000 0.369 397 F C 1.819 177.560 175.800 -0.098 0.000 1.125 397 F CA 1.342 59.340 58.000 -0.004 0.000 1.330 397 F CB 0.472 39.541 39.000 0.114 0.000 1.071 397 F HN 0.345 nan 8.300 nan 0.000 0.595 398 Q N 2.186 121.982 119.800 -0.006 0.000 2.452 398 Q HA -0.278 4.062 4.340 0.000 0.000 0.318 398 Q C -0.500 175.471 176.000 -0.048 0.000 1.386 398 Q CA 0.988 56.702 55.803 -0.149 0.000 0.872 398 Q CB -1.661 26.785 28.738 -0.488 0.000 1.151 398 Q HN 0.811 nan 8.270 nan 0.000 0.417 399 D N 0.548 120.937 120.400 -0.019 0.000 2.689 399 D HA -0.206 4.434 4.640 0.000 0.000 0.237 399 D C 0.077 176.392 176.300 0.025 0.000 1.148 399 D CA 1.311 55.310 54.000 -0.002 0.000 0.656 399 D CB -1.154 39.642 40.800 -0.008 0.000 1.050 399 D HN 0.614 nan 8.370 nan 0.000 0.426 400 N N -2.852 115.877 118.700 0.049 0.000 2.735 400 N HA -0.220 4.520 4.740 0.000 0.000 0.248 400 N C 0.315 175.885 175.510 0.099 0.000 1.083 400 N CA 1.085 54.182 53.050 0.078 0.000 0.703 400 N CB -1.416 37.103 38.487 0.052 0.000 1.005 400 N HN 0.664 nan 8.380 nan 0.000 0.550 401 A N 0.552 123.446 122.820 0.124 0.000 2.586 401 A HA 0.267 4.587 4.320 0.000 0.000 0.231 401 A C 1.206 178.892 177.584 0.169 0.000 1.055 401 A CA 0.854 52.986 52.037 0.158 0.000 0.756 401 A CB 0.147 19.298 19.000 0.252 0.000 0.988 401 A HN 0.438 nan 8.150 nan 0.000 0.509 402 T N 1.397 116.030 114.554 0.132 0.000 2.869 402 T HA 0.526 4.876 4.350 0.000 0.000 0.295 402 T C -2.578 172.179 174.700 0.095 0.000 0.987 402 T CA -1.528 60.636 62.100 0.107 0.000 1.109 402 T CB 0.695 69.616 68.868 0.088 0.000 0.932 402 T HN 0.433 nan 8.240 nan 0.000 0.518 403 P HA 0.360 nan 4.420 nan 0.000 0.272 403 P C -0.281 177.020 177.300 0.002 0.000 1.230 403 P CA -0.552 62.575 63.100 0.046 0.000 0.788 403 P CB 0.469 32.217 31.700 0.079 0.000 0.949 404 R N 1.057 121.527 120.500 -0.051 0.000 2.626 404 R HA 0.235 4.575 4.340 0.000 0.000 0.274 404 R C 0.652 176.891 176.300 -0.101 0.000 1.031 404 R CA -0.799 55.247 56.100 -0.090 0.000 0.898 404 R CB 1.279 31.515 30.300 -0.107 0.000 1.222 404 R HN 0.109 nan 8.270 nan 0.000 0.455 405 V N 1.411 121.251 119.914 -0.122 0.000 2.307 405 V HA -0.060 4.060 4.120 0.000 0.000 0.245 405 V C 0.689 176.776 176.094 -0.012 0.000 1.045 405 V CA 1.435 63.704 62.300 -0.052 0.000 1.024 405 V CB -0.182 31.588 31.823 -0.089 0.000 0.651 405 V HN 0.553 nan 8.190 nan 0.000 0.449 406 L N -0.550 120.625 121.223 -0.080 0.000 2.493 406 L HA 0.781 5.121 4.340 0.000 0.000 0.265 406 L C -0.887 175.882 176.870 -0.170 0.000 0.954 406 L CA -0.369 54.395 54.840 -0.126 0.000 0.844 406 L CB 1.693 43.685 42.059 -0.111 0.000 1.302 406 L HN -0.032 nan 8.230 nan 0.000 0.405 407 A N 4.722 127.393 122.820 -0.248 0.000 2.357 407 A HA 0.804 5.124 4.320 0.000 0.000 0.295 407 A C -1.578 175.894 177.584 -0.188 0.000 1.121 407 A CA -0.508 51.430 52.037 -0.165 0.000 0.742 407 A CB 1.512 20.443 19.000 -0.115 0.000 1.181 407 A HN 0.556 nan 8.150 nan 0.000 0.454 408 V N 2.598 122.476 119.914 -0.061 0.000 2.448 408 V HA 0.773 4.893 4.120 0.000 0.000 0.295 408 V C 0.146 176.333 176.094 0.154 0.000 1.025 408 V CA -0.176 62.168 62.300 0.074 0.000 0.859 408 V CB 1.354 33.244 31.823 0.112 0.000 0.988 408 V HN 1.155 nan 8.190 nan 0.000 0.431 409 S N 2.809 118.669 115.700 0.267 0.000 2.588 409 S HA 0.850 5.320 4.470 0.000 0.000 0.275 409 S C 0.461 175.346 174.600 0.476 0.000 1.130 409 S CA 0.238 58.624 58.200 0.310 0.000 0.855 409 S CB 2.080 65.350 63.200 0.117 0.000 1.116 409 S HN 2.309 nan 8.310 nan 0.000 0.472 410 A N -0.025 123.069 122.820 0.457 0.000 3.292 410 A HA -0.242 4.078 4.320 0.000 0.000 0.241 410 A C 0.193 177.886 177.584 0.182 0.000 0.569 410 A CA 1.518 53.747 52.037 0.320 0.000 1.149 410 A CB -2.745 16.414 19.000 0.266 0.000 1.321 410 A HN 1.162 nan 8.150 nan 0.000 0.679 411 Y N -0.839 119.586 120.300 0.209 0.000 2.411 411 Y HA 0.434 4.984 4.550 0.000 0.000 0.333 411 Y C 0.405 176.399 175.900 0.157 0.000 1.186 411 Y CA 1.031 59.228 58.100 0.162 0.000 1.381 411 Y CB 0.285 38.822 38.460 0.128 0.000 1.273 411 Y HN 0.451 nan 8.280 nan 0.000 0.546 412 Y N 1.430 121.830 120.300 0.167 0.000 2.342 412 Y HA 0.516 5.066 4.550 0.000 0.000 0.334 412 Y C 0.494 176.472 175.900 0.129 0.000 1.067 412 Y CA -0.692 57.475 58.100 0.111 0.000 1.128 412 Y CB 1.311 39.798 38.460 0.044 0.000 1.200 412 Y HN 0.792 nan 8.280 nan 0.000 0.464 413 G N 4.010 112.343 108.800 -0.778 0.000 2.401 413 G HA2 -0.157 3.803 3.960 0.000 0.000 0.283 413 G HA3 -0.157 3.803 3.960 0.000 0.000 0.283 413 G C -1.358 173.413 174.900 -0.214 0.000 1.117 413 G CA 0.019 44.718 45.100 -0.669 0.000 1.051 413 G HN 0.782 nan 8.290 nan 0.000 0.510 414 V N 0.502 120.329 119.914 -0.144 0.000 2.370 414 V HA 0.601 4.721 4.120 0.000 0.000 0.283 414 V C 0.467 176.519 176.094 -0.070 0.000 1.023 414 V CA -0.805 61.449 62.300 -0.077 0.000 0.857 414 V CB 1.912 33.745 31.823 0.016 0.000 0.985 414 V HN 0.416 nan 8.190 nan 0.000 0.443 415 V N 6.412 126.283 119.914 -0.072 0.000 2.378 415 V HA 0.509 4.629 4.120 0.000 0.000 0.288 415 V C -0.326 175.740 176.094 -0.047 0.000 1.016 415 V CA -0.445 61.820 62.300 -0.058 0.000 0.840 415 V CB 1.659 33.446 31.823 -0.061 0.000 0.994 415 V HN 0.592 nan 8.190 nan 0.000 0.431 416 I N 4.259 124.807 120.570 -0.037 0.000 2.406 416 I HA 0.486 4.656 4.170 0.000 0.000 0.290 416 I C -0.374 175.716 176.117 -0.044 0.000 0.999 416 I CA -0.411 60.864 61.300 -0.042 0.000 1.124 416 I CB 1.642 39.621 38.000 -0.035 0.000 1.289 416 I HN 0.672 nan 8.210 nan 0.000 0.441 417 N N 3.646 122.315 118.700 -0.051 0.000 2.480 417 N HA 0.595 5.335 4.740 0.000 0.000 0.289 417 N C -0.310 175.176 175.510 -0.041 0.000 1.073 417 N CA -0.087 52.940 53.050 -0.040 0.000 0.885 417 N CB 1.647 40.114 38.487 -0.034 0.000 1.421 417 N HN 0.890 nan 8.380 nan 0.000 0.503 418 G N 2.325 111.107 108.800 -0.030 0.000 2.828 418 G HA2 -0.126 3.834 3.960 0.000 0.000 0.262 418 G HA3 -0.126 3.834 3.960 0.000 0.000 0.262 418 G C -1.389 173.493 174.900 -0.031 0.000 1.033 418 G CA -0.148 44.939 45.100 -0.023 0.000 1.248 418 G HN 0.632 nan 8.290 nan 0.000 0.551 419 L N 2.119 123.331 121.223 -0.018 0.000 2.376 419 L HA 0.921 5.261 4.340 0.000 0.000 0.275 419 L C 0.010 176.902 176.870 0.036 0.000 0.987 419 L CA -0.215 54.617 54.840 -0.014 0.000 0.828 419 L CB 2.461 44.498 42.059 -0.036 0.000 1.249 419 L HN 0.567 nan 8.230 nan 0.000 0.409 420 T N 3.479 118.075 114.554 0.070 0.000 2.786 420 T HA 0.799 5.149 4.350 0.000 0.000 0.283 420 T C -0.229 174.581 174.700 0.182 0.000 0.992 420 T CA -0.111 62.061 62.100 0.119 0.000 0.954 420 T CB 0.629 69.563 68.868 0.109 0.000 0.934 420 T HN 0.933 nan 8.240 nan 0.000 0.440 421 G N 3.503 112.442 108.800 0.232 0.000 2.416 421 G HA2 0.602 4.562 3.960 0.000 0.000 0.324 421 G HA3 0.602 4.562 3.960 0.000 0.000 0.324 421 G C -1.929 173.261 174.900 0.483 0.000 1.194 421 G CA -0.559 44.750 45.100 0.349 0.000 0.922 421 G HN 0.737 nan 8.290 nan 0.000 0.467 422 Y N 1.077 121.541 120.300 0.273 0.000 2.421 422 Y HA 0.670 5.220 4.550 0.000 0.000 0.339 422 Y C -0.394 175.425 175.900 -0.134 0.000 0.996 422 Y CA -0.629 57.504 58.100 0.054 0.000 1.046 422 Y CB 2.632 41.112 38.460 0.033 0.000 1.226 422 Y HN 0.690 nan 8.280 nan 0.000 0.445 423 T N 3.362 117.349 114.554 -0.944 0.000 2.903 423 T HA 0.271 4.621 4.350 0.000 0.000 0.299 423 T C -0.708 173.563 174.700 -0.715 0.000 1.093 423 T CA -0.477 61.216 62.100 -0.677 0.000 1.002 423 T CB 1.017 69.415 68.868 -0.782 0.000 1.127 423 T HN 0.755 nan 8.240 nan 0.000 0.488 424 D N 1.197 121.429 120.400 -0.280 0.000 2.440 424 D HA 0.224 4.864 4.640 0.000 0.000 0.216 424 D C -0.237 175.985 176.300 -0.130 0.000 1.150 424 D CA -0.135 53.769 54.000 -0.159 0.000 0.832 424 D CB 0.459 41.281 40.800 0.036 0.000 0.992 424 D HN 0.354 nan 8.370 nan 0.000 0.502 425 D N 0.589 120.892 120.400 -0.161 0.000 2.386 425 D HA 0.229 4.869 4.640 0.000 0.000 0.247 425 D C -2.106 174.128 176.300 -0.111 0.000 1.336 425 D CA -1.845 52.096 54.000 -0.098 0.000 0.976 425 D CB 2.309 43.083 40.800 -0.043 0.000 1.257 425 D HN -0.250 nan 8.370 nan 0.000 0.570 426 P HA 0.000 nan 4.420 nan 0.000 0.225 426 P C 0.759 178.056 177.300 -0.004 0.000 1.148 426 P CA 0.588 63.649 63.100 -0.066 0.000 0.779 426 P CB 0.395 32.062 31.700 -0.055 0.000 0.780 427 N N -1.133 117.566 118.700 -0.001 0.000 2.336 427 N HA 0.107 4.847 4.740 0.000 0.000 0.189 427 N C 1.457 176.992 175.510 0.042 0.000 1.113 427 N CA 0.324 53.388 53.050 0.022 0.000 0.858 427 N CB -0.080 38.416 38.487 0.014 0.000 0.970 427 N HN 0.243 nan 8.380 nan 0.000 0.471 428 L N -0.107 121.143 121.223 0.046 0.000 2.131 428 L HA 0.118 4.458 4.340 0.000 0.000 0.206 428 L C 0.865 177.798 176.870 0.105 0.000 1.087 428 L CA 0.744 55.626 54.840 0.071 0.000 0.767 428 L CB 0.119 42.217 42.059 0.066 0.000 0.917 428 L HN 0.072 nan 8.230 nan 0.000 0.441 429 L N 0.015 121.323 121.223 0.142 0.000 2.372 429 L HA 0.256 4.596 4.340 0.000 0.000 0.273 429 L C 0.448 177.408 176.870 0.151 0.000 0.989 429 L CA -0.113 54.826 54.840 0.166 0.000 0.841 429 L CB 1.513 43.727 42.059 0.258 0.000 1.225 429 L HN 0.007 nan 8.230 nan 0.000 0.414 430 T N -1.449 113.167 114.554 0.103 0.000 3.043 430 T HA 0.171 4.521 4.350 0.000 0.000 0.272 430 T C 0.698 175.442 174.700 0.073 0.000 0.990 430 T CA 0.129 62.281 62.100 0.086 0.000 0.897 430 T CB 0.435 69.344 68.868 0.067 0.000 1.111 430 T HN 0.683 nan 8.240 nan 0.000 0.529 431 E N 1.682 121.924 120.200 0.069 0.000 2.068 431 E HA 0.182 4.532 4.350 0.000 0.000 0.201 431 E C -0.441 176.192 176.600 0.054 0.000 0.947 431 E CA 0.505 56.943 56.400 0.064 0.000 0.909 431 E CB 0.797 30.541 29.700 0.072 0.000 1.015 431 E HN 0.288 nan 8.360 nan 0.000 0.484 432 T N 0.583 115.163 114.554 0.043 0.000 2.921 432 T HA 0.259 4.609 4.350 0.000 0.000 0.297 432 T C 0.588 175.256 174.700 -0.053 0.000 1.013 432 T CA -0.631 61.485 62.100 0.027 0.000 0.990 432 T CB 2.077 71.001 68.868 0.094 0.000 1.023 432 T HN 0.016 nan 8.240 nan 0.000 0.447 433 V N 2.651 122.482 119.914 -0.138 0.000 2.323 433 V HA 0.057 4.177 4.120 0.000 0.000 0.244 433 V C 0.711 176.677 176.094 -0.212 0.000 1.041 433 V CA 0.991 63.097 62.300 -0.324 0.000 1.025 433 V CB -0.018 31.459 31.823 -0.578 0.000 0.656 433 V HN 0.639 nan 8.190 nan 0.000 0.451 434 V N 1.193 121.033 119.914 -0.124 0.000 2.483 434 V HA 0.549 4.669 4.120 0.000 0.000 0.297 434 V C -0.450 175.624 176.094 -0.035 0.000 1.027 434 V CA -0.342 61.908 62.300 -0.085 0.000 0.855 434 V CB 1.770 33.547 31.823 -0.078 0.000 0.995 434 V HN 0.461 nan 8.190 nan 0.000 0.424 435 S N 3.876 119.552 115.700 -0.040 0.000 2.482 435 S HA 0.834 5.304 4.470 0.000 0.000 0.303 435 S C -0.884 173.685 174.600 -0.052 0.000 1.091 435 S CA -0.785 57.394 58.200 -0.035 0.000 1.057 435 S CB 1.999 65.191 63.200 -0.014 0.000 1.031 435 S HN 0.401 nan 8.310 nan 0.000 0.485 436 V N 3.278 123.143 119.914 -0.081 0.000 2.340 436 V HA 0.509 4.629 4.120 0.000 0.000 0.277 436 V C -0.344 175.673 176.094 -0.128 0.000 1.017 436 V CA -0.260 62.004 62.300 -0.061 0.000 0.820 436 V CB 0.306 32.103 31.823 -0.043 0.000 1.028 436 V HN 1.004 nan 8.190 nan 0.000 0.436 437 Q N 2.080 121.820 119.800 -0.099 0.000 2.831 437 Q HA 0.651 4.991 4.340 0.000 0.000 0.322 437 Q C -0.777 175.182 176.000 -0.068 0.000 0.923 437 Q CA -1.286 54.358 55.803 -0.265 0.000 0.767 437 Q CB 2.268 30.674 28.738 -0.553 0.000 1.469 437 Q HN 0.477 nan 8.270 nan 0.000 0.496 438 F N 1.151 121.074 119.950 -0.046 0.000 2.969 438 F HA -0.301 4.226 4.527 0.000 0.000 0.273 438 F C 0.582 176.452 175.800 0.117 0.000 0.986 438 F CA 0.837 58.846 58.000 0.015 0.000 0.926 438 F CB -1.174 37.773 39.000 -0.088 0.000 0.887 438 F HN 0.675 nan 8.300 nan 0.000 0.816 439 R N -3.032 117.575 120.500 0.179 0.000 3.840 439 R HA -0.195 4.146 4.340 0.000 0.000 0.464 439 R C 0.692 177.090 176.300 0.163 0.000 0.986 439 R CA 0.653 56.849 56.100 0.160 0.000 1.305 439 R CB -1.635 28.778 30.300 0.187 0.000 1.950 439 R HN 0.676 nan 8.270 nan 0.000 0.526 440 A N 2.028 124.949 122.820 0.168 0.000 2.511 440 A HA 0.349 4.669 4.320 0.000 0.000 0.242 440 A C 0.658 178.304 177.584 0.102 0.000 1.069 440 A CA 0.612 52.747 52.037 0.163 0.000 0.763 440 A CB 0.154 19.241 19.000 0.145 0.000 1.001 440 A HN 0.412 nan 8.150 nan 0.000 0.498 441 R N 1.596 122.161 120.500 0.108 0.000 2.680 441 R HA 0.537 4.877 4.340 0.000 0.000 0.269 441 R C -0.630 175.673 176.300 0.004 0.000 1.026 441 R CA -0.899 55.247 56.100 0.077 0.000 0.889 441 R CB 0.792 31.172 30.300 0.134 0.000 1.241 441 R HN 0.632 nan 8.270 nan 0.000 0.463 442 N N -0.198 118.486 118.700 -0.027 0.000 2.727 442 N HA -0.184 4.556 4.740 0.000 0.000 0.251 442 N C -0.935 174.468 175.510 -0.179 0.000 1.040 442 N CA 1.152 54.125 53.050 -0.128 0.000 0.712 442 N CB -0.838 37.502 38.487 -0.245 0.000 0.912 442 N HN 0.675 nan 8.380 nan 0.000 0.545 443 C N 0.479 119.727 119.300 -0.087 0.000 2.391 443 C HA 0.711 5.171 4.460 0.000 0.000 0.339 443 C C 0.552 175.511 174.990 -0.052 0.000 1.205 443 C CA -0.225 58.754 59.018 -0.065 0.000 1.937 443 C CB 1.826 29.554 27.740 -0.020 0.000 2.341 443 C HN 0.484 nan 8.230 nan 0.000 0.516 444 S N 4.259 119.930 115.700 -0.048 0.000 2.557 444 S HA 0.774 5.244 4.470 0.000 0.000 0.291 444 S C -1.396 173.186 174.600 -0.030 0.000 1.116 444 S CA -0.510 57.667 58.200 -0.038 0.000 0.992 444 S CB 0.675 63.851 63.200 -0.041 0.000 1.028 444 S HN 0.736 nan 8.310 nan 0.000 0.484 445 L N 4.932 126.139 121.223 -0.026 0.000 2.356 445 L HA 0.648 4.988 4.340 0.000 0.000 0.277 445 L C -0.086 176.771 176.870 -0.022 0.000 0.996 445 L CA -0.670 54.155 54.840 -0.025 0.000 0.822 445 L CB 1.771 43.816 42.059 -0.025 0.000 1.256 445 L HN 0.610 nan 8.230 nan 0.000 0.413 446 N N 2.108 120.795 118.700 -0.022 0.000 2.336 446 N HA 0.392 5.132 4.740 0.000 0.000 0.290 446 N C -0.149 175.353 175.510 -0.014 0.000 1.058 446 N CA 0.183 53.224 53.050 -0.016 0.000 0.865 446 N CB 2.636 41.115 38.487 -0.015 0.000 1.581 446 N HN 0.774 nan 8.380 nan 0.000 0.480 447 G N 1.610 110.406 108.800 -0.007 0.000 2.473 447 G HA2 -0.158 3.802 3.960 0.000 0.000 0.289 447 G HA3 -0.158 3.802 3.960 0.000 0.000 0.289 447 G C -0.876 174.025 174.900 0.002 0.000 1.084 447 G CA 0.061 45.160 45.100 -0.001 0.000 1.215 447 G HN 0.447 nan 8.290 nan 0.000 0.527 448 V N 0.559 120.477 119.914 0.008 0.000 2.495 448 V HA 0.725 4.845 4.120 0.000 0.000 0.298 448 V C 0.320 176.435 176.094 0.035 0.000 1.031 448 V CA -0.886 61.423 62.300 0.015 0.000 0.871 448 V CB 2.176 34.001 31.823 0.004 0.000 0.988 448 V HN 0.596 nan 8.190 nan 0.000 0.432 449 V N 6.173 126.121 119.914 0.057 0.000 2.443 449 V HA 0.531 4.651 4.120 0.000 0.000 0.293 449 V C -0.513 175.657 176.094 0.126 0.000 1.021 449 V CA -0.454 61.897 62.300 0.085 0.000 0.848 449 V CB 1.639 33.517 31.823 0.092 0.000 0.998 449 V HN 0.652 nan 8.190 nan 0.000 0.424 450 L N 4.207 125.513 121.223 0.138 0.000 2.325 450 L HA 0.724 5.064 4.340 0.000 0.000 0.281 450 L C -0.177 176.842 176.870 0.248 0.000 1.004 450 L CA -0.146 54.826 54.840 0.219 0.000 0.823 450 L CB 2.166 44.304 42.059 0.131 0.000 1.236 450 L HN 0.580 nan 8.230 nan 0.000 0.415 451 T N 1.298 116.004 114.554 0.253 0.000 2.879 451 T HA 0.564 4.914 4.350 0.000 0.000 0.290 451 T C 0.669 175.161 174.700 -0.347 0.000 0.993 451 T CA 0.229 62.335 62.100 0.010 0.000 0.975 451 T CB 1.779 70.666 68.868 0.032 0.000 0.981 451 T HN 0.950 nan 8.240 nan 0.000 0.439 452 G N 2.106 110.725 108.800 -0.301 0.000 2.176 452 G HA2 -0.219 3.741 3.960 0.000 0.000 0.232 452 G HA3 -0.219 3.741 3.960 0.000 0.000 0.232 452 G C 0.185 174.810 174.900 -0.458 0.000 0.986 452 G CA -0.562 44.250 45.100 -0.481 0.000 0.643 452 G HN 0.672 nan 8.290 nan 0.000 0.522 453 F N 2.981 122.874 119.950 -0.095 0.000 2.705 453 F HA 0.360 4.887 4.527 0.000 0.000 0.355 453 F C 1.967 177.745 175.800 -0.036 0.000 1.172 453 F CA 0.493 58.462 58.000 -0.051 0.000 1.332 453 F CB 0.294 39.281 39.000 -0.022 0.000 1.621 453 F HN 0.221 nan 8.300 nan 0.000 0.605 454 S N -1.555 114.157 115.700 0.019 0.000 2.607 454 S HA -0.088 4.382 4.470 0.000 0.000 0.224 454 S C 1.290 175.895 174.600 0.009 0.000 0.969 454 S CA 0.457 58.657 58.200 -0.000 0.000 0.927 454 S CB -0.217 62.953 63.200 -0.050 0.000 0.772 454 S HN 0.447 nan 8.310 nan 0.000 0.533 455 N N 1.828 120.550 118.700 0.037 0.000 2.291 455 N HA 0.180 4.920 4.740 0.000 0.000 0.244 455 N C -0.579 174.971 175.510 0.067 0.000 1.216 455 N CA -0.082 52.990 53.050 0.036 0.000 0.879 455 N CB 0.934 39.435 38.487 0.022 0.000 1.167 455 N HN 0.485 nan 8.380 nan 0.000 0.515 456 S N -1.099 114.661 115.700 0.100 0.000 2.578 456 S HA 0.295 4.765 4.470 0.000 0.000 0.283 456 S C 1.150 175.800 174.600 0.082 0.000 1.195 456 S CA -0.549 57.711 58.200 0.099 0.000 1.050 456 S CB 2.275 65.548 63.200 0.121 0.000 1.012 456 S HN 0.121 nan 8.310 nan 0.000 0.511 457 E N 2.312 122.557 120.200 0.075 0.000 2.072 457 E HA -0.044 4.306 4.350 0.000 0.000 0.191 457 E C -0.186 176.488 176.600 0.124 0.000 0.985 457 E CA 1.255 57.712 56.400 0.093 0.000 0.801 457 E CB 0.105 29.844 29.700 0.065 0.000 0.750 457 E HN 0.748 nan 8.360 nan 0.000 0.452 458 N N -1.043 117.697 118.700 0.067 0.000 2.258 458 N HA 0.259 4.999 4.740 0.000 0.000 0.299 458 N C 0.179 175.714 175.510 0.042 0.000 1.047 458 N CA 0.226 53.306 53.050 0.051 0.000 0.814 458 N CB 1.809 40.271 38.487 -0.041 0.000 1.413 458 N HN 0.156 nan 8.380 nan 0.000 0.478 459 G N 1.351 110.184 108.800 0.055 0.000 2.551 459 G HA2 0.125 4.085 3.960 0.000 0.000 0.214 459 G HA3 0.125 4.085 3.960 0.000 0.000 0.214 459 G C 0.378 175.271 174.900 -0.012 0.000 1.250 459 G CA 0.487 45.593 45.100 0.010 0.000 0.825 459 G HN 0.526 nan 8.290 nan 0.000 0.549 460 I N -0.418 120.165 120.570 0.022 0.000 2.433 460 I HA 0.376 4.546 4.170 0.000 0.000 0.292 460 I C -1.561 174.626 176.117 0.117 0.000 1.001 460 I CA -0.931 60.389 61.300 0.035 0.000 1.119 460 I CB 2.278 40.286 38.000 0.012 0.000 1.289 460 I HN 0.105 nan 8.210 nan 0.000 0.438 461 Y N 6.917 127.183 120.300 -0.057 0.000 2.329 461 Y HA 0.614 5.164 4.550 0.000 0.000 0.328 461 Y C -1.226 174.626 175.900 -0.080 0.000 0.992 461 Y CA -1.318 56.740 58.100 -0.071 0.000 1.151 461 Y CB 1.471 39.886 38.460 -0.075 0.000 1.150 461 Y HN 0.199 nan 8.280 nan 0.000 0.450 462 V N 7.867 127.745 119.914 -0.061 0.000 2.495 462 V HA 0.566 4.686 4.120 0.000 0.000 0.298 462 V C -0.303 175.585 176.094 -0.342 0.000 1.031 462 V CA -0.742 61.438 62.300 -0.200 0.000 0.871 462 V CB 1.794 33.572 31.823 -0.076 0.000 0.988 462 V HN 0.634 nan 8.190 nan 0.000 0.432 463 I N 3.151 123.483 120.570 -0.396 0.000 2.533 463 I HA 0.736 4.906 4.170 0.000 0.000 0.290 463 I C 0.613 176.593 176.117 -0.228 0.000 1.056 463 I CA -0.273 60.810 61.300 -0.361 0.000 1.057 463 I CB 2.239 39.919 38.000 -0.533 0.000 1.240 463 I HN 0.746 nan 8.210 nan 0.000 0.423 464 G N 2.517 111.229 108.800 -0.147 0.000 2.971 464 G HA2 0.588 4.548 3.960 0.000 0.000 0.235 464 G HA3 0.588 4.548 3.960 0.000 0.000 0.235 464 G C 0.270 175.130 174.900 -0.066 0.000 1.351 464 G CA -0.346 44.702 45.100 -0.085 0.000 1.039 464 G HN 0.725 nan 8.290 nan 0.000 0.563 465 G N -1.579 107.204 108.800 -0.028 0.000 3.839 465 G HA2 0.372 4.332 3.960 0.000 0.000 0.286 465 G HA3 0.372 4.332 3.960 0.000 0.000 0.286 465 G C 0.409 175.306 174.900 -0.005 0.000 1.005 465 G CA 1.019 46.111 45.100 -0.013 0.000 0.824 465 G HN 1.206 nan 8.290 nan 0.000 0.489 466 S N -0.360 115.336 115.700 -0.007 0.000 3.587 466 S HA -0.179 4.291 4.470 0.000 0.000 0.337 466 S C 0.911 175.515 174.600 0.007 0.000 1.119 466 S CA 0.686 58.885 58.200 -0.001 0.000 0.976 466 S CB -0.970 62.228 63.200 -0.002 0.000 0.922 466 S HN 0.746 nan 8.310 nan 0.000 0.503 467 R N 1.017 121.525 120.500 0.013 0.000 2.490 467 R HA 0.445 4.785 4.340 0.000 0.000 0.280 467 R C 1.098 177.411 176.300 0.021 0.000 1.077 467 R CA 0.272 56.384 56.100 0.020 0.000 1.065 467 R CB 0.416 30.736 30.300 0.032 0.000 1.003 467 R HN 0.286 nan 8.270 nan 0.000 0.470 468 G N -0.029 108.782 108.800 0.019 0.000 2.441 468 G HA2 0.353 4.313 3.960 0.000 0.000 0.243 468 G HA3 0.353 4.313 3.960 0.000 0.000 0.243 468 G C 0.869 175.786 174.900 0.029 0.000 1.281 468 G CA 0.140 45.251 45.100 0.018 0.000 0.854 468 G HN 0.770 nan 8.290 nan 0.000 0.560 469 G N 1.326 110.145 108.800 0.031 0.000 2.162 469 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 469 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 469 G C 0.340 175.279 174.900 0.066 0.000 0.976 469 G CA 0.526 45.654 45.100 0.046 0.000 0.655 469 G HN 0.923 nan 8.290 nan 0.000 0.533 470 D N 0.672 121.104 120.400 0.054 0.000 2.329 470 D HA 0.740 5.380 4.640 0.000 0.000 0.246 470 D C 0.314 176.634 176.300 0.033 0.000 1.111 470 D CA 0.912 54.945 54.000 0.055 0.000 0.941 470 D CB 1.271 42.096 40.800 0.041 0.000 1.169 470 D HN 1.159 nan 8.370 nan 0.000 0.441 471 A N 1.471 124.304 122.820 0.021 0.000 2.589 471 A HA 0.525 4.845 4.320 0.000 0.000 0.296 471 A C -1.707 175.870 177.584 -0.010 0.000 1.062 471 A CA -0.670 51.370 52.037 0.005 0.000 0.686 471 A CB 1.519 20.523 19.000 0.007 0.000 1.282 471 A HN 0.386 nan 8.150 nan 0.000 0.404 472 V N 2.748 122.653 119.914 -0.015 0.000 2.577 472 V HA 0.650 4.770 4.120 0.000 0.000 0.303 472 V C -1.590 174.490 176.094 -0.023 0.000 1.042 472 V CA -0.820 61.466 62.300 -0.023 0.000 0.872 472 V CB 1.873 33.680 31.823 -0.026 0.000 0.998 472 V HN 0.852 nan 8.190 nan 0.000 0.423 473 N N 7.178 125.864 118.700 -0.024 0.000 2.407 473 N HA 0.602 5.342 4.740 0.000 0.000 0.277 473 N C -1.120 174.376 175.510 -0.023 0.000 0.995 473 N CA -0.156 52.880 53.050 -0.022 0.000 0.903 473 N CB 2.233 40.709 38.487 -0.018 0.000 1.218 473 N HN 0.617 nan 8.380 nan 0.000 0.487 474 I N 1.284 121.839 120.570 -0.025 0.000 2.439 474 I HA 0.293 4.463 4.170 0.000 0.000 0.285 474 I C -0.350 175.752 176.117 -0.024 0.000 1.021 474 I CA -0.513 60.773 61.300 -0.024 0.000 1.091 474 I CB 1.508 39.493 38.000 -0.025 0.000 1.242 474 I HN 0.441 nan 8.210 nan 0.000 0.439 475 S N 4.016 119.705 115.700 -0.019 0.000 2.564 475 S HA 0.525 4.995 4.470 0.000 0.000 0.274 475 S C -0.382 174.212 174.600 -0.010 0.000 1.124 475 S CA -0.869 57.322 58.200 -0.015 0.000 0.869 475 S CB 1.897 65.091 63.200 -0.010 0.000 1.105 475 S HN 0.659 nan 8.310 nan 0.000 0.472 476 N N -0.308 118.388 118.700 -0.008 0.000 2.708 476 N HA -0.107 4.633 4.740 0.000 0.000 0.255 476 N C -1.067 174.444 175.510 0.001 0.000 1.046 476 N CA 0.636 53.685 53.050 -0.002 0.000 0.715 476 N CB -1.322 37.165 38.487 0.001 0.000 0.895 476 N HN 0.636 nan 8.380 nan 0.000 0.545 477 V N 0.317 120.231 119.914 -0.001 0.000 2.459 477 V HA 0.594 4.714 4.120 0.000 0.000 0.295 477 V C 0.655 176.757 176.094 0.013 0.000 1.029 477 V CA -0.406 61.897 62.300 0.005 0.000 0.874 477 V CB 2.202 34.023 31.823 -0.004 0.000 0.985 477 V HN 0.347 nan 8.190 nan 0.000 0.438 478 T N 6.028 120.599 114.554 0.029 0.000 2.861 478 T HA 0.734 5.084 4.350 0.000 0.000 0.287 478 T C -1.152 173.586 174.700 0.064 0.000 1.003 478 T CA -0.377 61.748 62.100 0.042 0.000 0.977 478 T CB 0.773 69.666 68.868 0.043 0.000 0.996 478 T HN 0.456 nan 8.240 nan 0.000 0.448 479 L N 4.829 126.099 121.223 0.079 0.000 2.349 479 L HA 0.549 4.889 4.340 0.000 0.000 0.278 479 L C -0.052 176.893 176.870 0.124 0.000 0.996 479 L CA -0.890 54.018 54.840 0.112 0.000 0.825 479 L CB 1.799 43.934 42.059 0.127 0.000 1.243 479 L HN 0.628 nan 8.230 nan 0.000 0.412 480 N N 3.413 122.180 118.700 0.111 0.000 2.621 480 N HA 0.223 4.963 4.740 0.000 0.000 0.237 480 N C -0.428 175.115 175.510 0.055 0.000 0.997 480 N CA -0.354 52.742 53.050 0.077 0.000 0.918 480 N CB 0.351 38.874 38.487 0.061 0.000 1.122 480 N HN 0.523 nan 8.380 nan 0.000 0.510 481 N N 1.250 119.976 118.700 0.044 0.000 2.705 481 N HA -0.176 4.564 4.740 0.000 0.000 0.255 481 N C -1.332 174.211 175.510 0.055 0.000 1.008 481 N CA 0.892 53.943 53.050 0.001 0.000 0.742 481 N CB -1.109 37.352 38.487 -0.043 0.000 0.906 481 N HN 0.350 nan 8.380 nan 0.000 0.541 482 S N 0.082 115.863 115.700 0.135 0.000 2.664 482 S HA 0.658 5.128 4.470 0.000 0.000 0.262 482 S C 0.488 175.201 174.600 0.189 0.000 1.229 482 S CA -0.132 58.193 58.200 0.207 0.000 1.151 482 S CB 1.716 65.086 63.200 0.283 0.000 1.054 482 S HN 0.814 nan 8.310 nan 0.000 0.483 483 G N 2.576 111.472 108.800 0.159 0.000 3.444 483 G HA2 -0.126 3.834 3.960 0.000 0.000 0.685 483 G HA3 -0.126 3.834 3.960 0.000 0.000 0.685 483 G C 0.161 175.171 174.900 0.183 0.000 1.145 483 G CA -0.964 44.228 45.100 0.154 0.000 0.973 483 G HN 0.580 nan 8.290 nan 0.000 0.525 484 R N 0.512 121.074 120.500 0.104 0.000 2.105 484 R HA -0.075 4.265 4.340 0.000 0.000 0.239 484 R C 0.326 176.606 176.300 -0.033 0.000 1.135 484 R CA 1.347 57.453 56.100 0.010 0.000 0.967 484 R CB 0.010 30.280 30.300 -0.051 0.000 0.861 484 R HN 0.581 nan 8.270 nan 0.000 0.442 485 Y N -0.553 119.798 120.300 0.085 0.000 2.342 485 Y HA 0.234 4.784 4.550 0.000 0.000 0.338 485 Y C 1.312 177.218 175.900 0.010 0.000 0.965 485 Y CA -0.627 57.487 58.100 0.023 0.000 1.159 485 Y CB 1.741 40.151 38.460 -0.083 0.000 1.157 485 Y HN 0.016 nan 8.280 nan 0.000 0.486 486 G N 2.285 111.121 108.800 0.061 0.000 2.464 486 G HA2 -0.033 3.927 3.960 0.000 0.000 0.214 486 G HA3 -0.033 3.927 3.960 0.000 0.000 0.214 486 G C -0.102 174.806 174.900 0.014 0.000 1.218 486 G CA 0.516 45.619 45.100 0.005 0.000 0.794 486 G HN 0.377 nan 8.290 nan 0.000 0.542 487 V N 0.424 120.331 119.914 -0.011 0.000 2.443 487 V HA 0.589 4.709 4.120 0.000 0.000 0.293 487 V C -0.632 175.479 176.094 0.028 0.000 1.021 487 V CA -0.663 61.642 62.300 0.007 0.000 0.848 487 V CB 1.554 33.365 31.823 -0.020 0.000 0.998 487 V HN 0.270 nan 8.190 nan 0.000 0.424 488 S N 6.112 121.843 115.700 0.051 0.000 2.519 488 S HA 0.721 5.191 4.470 0.000 0.000 0.309 488 S C -0.816 173.875 174.600 0.153 0.000 1.100 488 S CA -0.617 57.601 58.200 0.030 0.000 1.059 488 S CB 0.689 63.768 63.200 -0.202 0.000 1.008 488 S HN 0.478 nan 8.310 nan 0.000 0.478 489 I N 4.854 125.477 120.570 0.088 0.000 2.339 489 I HA 0.412 4.582 4.170 0.000 0.000 0.290 489 I C 1.147 177.322 176.117 0.096 0.000 0.994 489 I CA -0.394 60.954 61.300 0.079 0.000 1.191 489 I CB 0.523 38.533 38.000 0.017 0.000 1.343 489 I HN 0.754 nan 8.210 nan 0.000 0.458 490 G N 4.686 113.553 108.800 0.111 0.000 2.574 490 G HA2 0.421 4.381 3.960 0.000 0.000 0.248 490 G HA3 0.421 4.381 3.960 0.000 0.000 0.248 490 G C 0.115 175.010 174.900 -0.008 0.000 1.422 490 G CA -0.275 44.878 45.100 0.088 0.000 1.051 490 G HN 0.651 nan 8.290 nan 0.000 0.560 491 S N -1.987 113.695 115.700 -0.030 0.000 2.600 491 S HA 0.441 4.911 4.470 0.000 0.000 0.265 491 S C 1.318 175.885 174.600 -0.054 0.000 1.325 491 S CA 0.678 58.856 58.200 -0.035 0.000 1.002 491 S CB 0.900 64.081 63.200 -0.031 0.000 0.921 491 S HN 2.387 nan 8.310 nan 0.000 0.554 492 G N -0.071 108.707 108.800 -0.037 0.000 2.155 492 G HA2 -0.187 3.773 3.960 0.000 0.000 0.257 492 G HA3 -0.187 3.773 3.960 0.000 0.000 0.257 492 G C -0.058 174.823 174.900 -0.031 0.000 0.983 492 G CA 0.235 45.314 45.100 -0.034 0.000 0.676 492 G HN 0.702 nan 8.290 nan 0.000 0.528 493 I N 1.058 121.609 120.570 -0.030 0.000 2.328 493 I HA 0.297 4.467 4.170 0.000 0.000 0.287 493 I C 0.852 176.960 176.117 -0.015 0.000 1.012 493 I CA -0.345 60.940 61.300 -0.025 0.000 1.195 493 I CB 1.185 39.166 38.000 -0.032 0.000 1.350 493 I HN 0.147 nan 8.210 nan 0.000 0.464 494 E N 3.928 124.123 120.200 -0.009 0.000 2.389 494 E HA 0.136 4.486 4.350 0.000 0.000 0.199 494 E C -0.025 176.574 176.600 -0.003 0.000 0.978 494 E CA 0.290 56.687 56.400 -0.004 0.000 0.912 494 E CB 0.759 30.460 29.700 0.001 0.000 0.907 494 E HN 0.528 nan 8.360 nan 0.000 0.494 495 N N 1.236 119.934 118.700 -0.003 0.000 2.569 495 N HA 0.210 4.950 4.740 0.000 0.000 0.254 495 N C -1.513 173.992 175.510 -0.009 0.000 1.004 495 N CA 0.003 53.053 53.050 -0.001 0.000 0.904 495 N CB 2.705 41.197 38.487 0.008 0.000 1.165 495 N HN -0.124 nan 8.380 nan 0.000 0.513 496 V N 1.292 121.196 119.914 -0.017 0.000 2.686 496 V HA 0.487 4.607 4.120 0.000 0.000 0.306 496 V C -0.926 175.145 176.094 -0.039 0.000 1.065 496 V CA -0.421 61.864 62.300 -0.027 0.000 0.894 496 V CB 2.166 33.971 31.823 -0.030 0.000 1.004 496 V HN 0.523 nan 8.190 nan 0.000 0.424 497 S N 6.916 122.594 115.700 -0.037 0.000 2.498 497 S HA 0.749 5.219 4.470 0.000 0.000 0.317 497 S C -0.917 173.649 174.600 -0.056 0.000 1.090 497 S CA -0.525 57.645 58.200 -0.051 0.000 1.089 497 S CB 0.690 63.876 63.200 -0.024 0.000 0.997 497 S HN 0.609 nan 8.310 nan 0.000 0.470 498 I N 4.135 124.656 120.570 -0.081 0.000 2.448 498 I HA 0.348 4.518 4.170 0.000 0.000 0.281 498 I C -0.193 175.872 176.117 -0.086 0.000 1.027 498 I CA -0.301 60.956 61.300 -0.073 0.000 1.111 498 I CB 2.062 40.018 38.000 -0.074 0.000 1.236 498 I HN 0.535 nan 8.210 nan 0.000 0.452 499 T N 4.369 118.886 114.554 -0.061 0.000 2.886 499 T HA 0.378 4.728 4.350 0.000 0.000 0.292 499 T C -0.394 174.285 174.700 -0.035 0.000 1.012 499 T CA -0.426 61.641 62.100 -0.054 0.000 0.982 499 T CB 0.666 69.512 68.868 -0.037 0.000 1.018 499 T HN 0.608 nan 8.240 nan 0.000 0.451 500 N N 2.820 121.500 118.700 -0.032 0.000 2.648 500 N HA -0.113 4.627 4.740 0.000 0.000 0.265 500 N C -0.904 174.594 175.510 -0.020 0.000 1.100 500 N CA 0.554 53.592 53.050 -0.019 0.000 0.715 500 N CB -1.062 37.421 38.487 -0.007 0.000 0.881 500 N HN 0.572 nan 8.380 nan 0.000 0.548 501 I N 0.249 120.800 120.570 -0.031 0.000 2.404 501 I HA 0.396 4.566 4.170 0.000 0.000 0.293 501 I C 0.833 176.932 176.117 -0.030 0.000 0.992 501 I CA -0.666 60.614 61.300 -0.034 0.000 1.149 501 I CB 1.625 39.592 38.000 -0.054 0.000 1.315 501 I HN 0.282 nan 8.210 nan 0.000 0.446 502 S N 3.659 119.351 115.700 -0.013 0.000 2.570 502 S HA 0.976 5.446 4.470 0.000 0.000 0.286 502 S C -0.397 174.217 174.600 0.023 0.000 1.099 502 S CA -0.763 57.438 58.200 0.002 0.000 0.913 502 S CB 2.605 65.815 63.200 0.017 0.000 1.085 502 S HN 0.960 nan 8.310 nan 0.000 0.480 503 G N 0.569 109.403 108.800 0.057 0.000 2.733 503 G HA2 0.638 4.598 3.960 0.000 0.000 0.297 503 G HA3 0.638 4.598 3.960 0.000 0.000 0.297 503 G C -1.585 173.457 174.900 0.236 0.000 1.422 503 G CA -0.822 44.375 45.100 0.161 0.000 0.942 503 G HN 0.779 nan 8.290 nan 0.000 0.510 504 I N 1.503 122.200 120.570 0.212 0.000 2.362 504 I HA 0.483 4.653 4.170 0.000 0.000 0.289 504 I C 1.061 177.187 176.117 0.015 0.000 0.994 504 I CA -0.604 60.764 61.300 0.113 0.000 1.158 504 I CB 2.348 40.381 38.000 0.054 0.000 1.315 504 I HN 0.666 nan 8.210 nan 0.000 0.451 505 G N 3.114 111.805 108.800 -0.182 0.000 3.228 505 G HA2 -0.027 3.933 3.960 0.000 0.000 0.245 505 G HA3 -0.027 3.933 3.960 0.000 0.000 0.245 505 G C 0.741 175.441 174.900 -0.332 0.000 1.051 505 G CA -0.061 44.705 45.100 -0.557 0.000 0.809 505 G HN 0.706 nan 8.290 nan 0.000 0.531 506 D N 0.498 120.792 120.400 -0.177 0.000 2.310 506 D HA 0.032 4.672 4.640 0.000 0.000 0.212 506 D C 1.975 178.211 176.300 -0.107 0.000 0.965 506 D CA 0.929 54.855 54.000 -0.124 0.000 0.879 506 D CB -0.415 40.341 40.800 -0.073 0.000 0.921 506 D HN 0.192 nan 8.370 nan 0.000 0.510 507 G N -0.297 108.439 108.800 -0.106 0.000 3.126 507 G HA2 0.244 4.204 3.960 0.000 0.000 0.224 507 G HA3 0.244 4.204 3.960 0.000 0.000 0.224 507 G C 0.451 175.294 174.900 -0.095 0.000 1.142 507 G CA -0.429 44.620 45.100 -0.085 0.000 0.759 507 G HN 0.226 nan 8.290 nan 0.000 0.550 508 I N 0.946 121.434 120.570 -0.136 0.000 2.519 508 I HA 0.072 4.242 4.170 0.000 0.000 0.287 508 I C 0.336 176.387 176.117 -0.110 0.000 1.047 508 I CA -0.494 60.727 61.300 -0.131 0.000 1.381 508 I CB 1.346 39.223 38.000 -0.205 0.000 1.417 508 I HN 0.029 nan 8.210 nan 0.000 0.540 509 N N 4.534 123.189 118.700 -0.075 0.000 2.400 509 N HA -0.022 4.718 4.740 0.000 0.000 0.267 509 N C -0.417 175.053 175.510 -0.067 0.000 1.208 509 N CA 0.058 53.072 53.050 -0.059 0.000 0.951 509 N CB 0.270 38.737 38.487 -0.034 0.000 1.227 509 N HN 0.722 nan 8.380 nan 0.000 0.488 510 S N 1.633 117.286 115.700 -0.079 0.000 3.697 510 S HA -0.096 4.374 4.470 0.000 0.000 0.388 510 S C -2.418 172.111 174.600 -0.119 0.000 0.941 510 S CA -0.170 57.980 58.200 -0.084 0.000 1.247 510 S CB -1.213 61.953 63.200 -0.056 0.000 0.904 510 S HN 0.685 nan 8.310 nan 0.000 0.518 511 P HA 0.299 nan 4.420 nan 0.000 0.272 511 P C 0.625 177.826 177.300 -0.165 0.000 1.223 511 P CA -0.338 62.632 63.100 -0.217 0.000 0.784 511 P CB 1.022 32.456 31.700 -0.443 0.000 0.923 512 V N 0.961 120.761 119.914 -0.190 0.000 3.001 512 V HA 0.446 4.566 4.120 0.000 0.000 0.228 512 V C 0.788 176.814 176.094 -0.113 0.000 1.204 512 V CA 1.294 63.426 62.300 -0.279 0.000 1.247 512 V CB -0.274 31.102 31.823 -0.745 0.000 1.093 512 V HN 0.797 nan 8.190 nan 0.000 0.504 513 A N -0.716 122.040 122.820 -0.107 0.000 2.517 513 A HA 0.579 4.899 4.320 0.000 0.000 0.297 513 A C 0.110 177.514 177.584 -0.300 0.000 1.050 513 A CA -0.359 51.641 52.037 -0.062 0.000 0.694 513 A CB 1.357 20.343 19.000 -0.022 0.000 1.277 513 A HN 0.134 nan 8.150 nan 0.000 0.400 514 L N 1.180 122.019 121.223 -0.639 0.000 2.017 514 L HA 0.023 4.363 4.340 0.000 0.000 0.208 514 L C -0.060 176.603 176.870 -0.345 0.000 1.073 514 L CA 1.956 56.263 54.840 -0.887 0.000 0.745 514 L CB 0.047 41.728 42.059 -0.630 0.000 0.894 514 L HN 0.545 nan 8.230 nan 0.000 0.432 515 V N -0.786 119.025 119.914 -0.171 0.000 2.638 515 V HA 0.362 4.482 4.120 0.000 0.000 0.306 515 V C -0.539 175.566 176.094 0.018 0.000 1.052 515 V CA -0.506 61.757 62.300 -0.061 0.000 0.885 515 V CB 1.730 33.513 31.823 -0.067 0.000 0.999 515 V HN 0.227 nan 8.190 nan 0.000 0.424 516 S N 3.043 118.776 115.700 0.056 0.000 2.547 516 S HA 0.854 5.324 4.470 0.000 0.000 0.281 516 S C -0.541 174.073 174.600 0.023 0.000 1.118 516 S CA -0.069 58.176 58.200 0.074 0.000 0.947 516 S CB 1.868 65.161 63.200 0.156 0.000 1.053 516 S HN 1.133 nan 8.310 nan 0.000 0.482 517 T N 2.697 117.263 114.554 0.020 0.000 2.900 517 T HA 0.562 4.912 4.350 0.000 0.000 0.295 517 T C 0.849 175.554 174.700 0.009 0.000 1.044 517 T CA -0.893 61.212 62.100 0.008 0.000 0.995 517 T CB 0.946 69.813 68.868 -0.001 0.000 1.072 517 T HN 0.387 nan 8.240 nan 0.000 0.473 518 I N 1.624 122.197 120.570 0.005 0.000 2.339 518 I HA 0.085 4.255 4.170 0.000 0.000 0.245 518 I C 1.015 177.135 176.117 0.006 0.000 1.096 518 I CA 0.473 61.776 61.300 0.004 0.000 1.408 518 I CB -1.211 36.791 38.000 0.003 0.000 1.092 518 I HN 0.708 nan 8.210 nan 0.000 0.423 519 N N 0.680 119.381 118.700 0.002 0.000 2.467 519 N HA 0.030 4.770 4.740 0.000 0.000 0.262 519 N C 1.233 176.745 175.510 0.003 0.000 1.234 519 N CA 0.304 53.355 53.050 0.001 0.000 0.952 519 N CB 0.811 39.296 38.487 -0.004 0.000 1.158 519 N HN 0.063 nan 8.380 nan 0.000 0.463 520 S N -0.001 115.703 115.700 0.006 0.000 2.496 520 S HA -0.068 4.402 4.470 0.000 0.000 0.224 520 S C 0.529 175.126 174.600 -0.004 0.000 0.996 520 S CA 0.170 58.376 58.200 0.010 0.000 0.927 520 S CB -0.306 62.904 63.200 0.017 0.000 0.774 520 S HN 0.732 nan 8.310 nan 0.000 0.524 521 N N 1.670 120.363 118.700 -0.012 0.000 2.610 521 N HA 0.342 5.082 4.740 0.000 0.000 0.309 521 N C -3.154 172.332 175.510 -0.039 0.000 1.536 521 N CA -1.811 51.225 53.050 -0.023 0.000 0.954 521 N CB 0.227 38.710 38.487 -0.007 0.000 1.310 521 N HN 0.257 nan 8.380 nan 0.000 0.502 522 P HA 0.174 nan 4.420 nan 0.000 0.274 522 P C -0.475 176.754 177.300 -0.118 0.000 1.231 522 P CA 0.033 63.089 63.100 -0.073 0.000 0.790 522 P CB 1.405 33.062 31.700 -0.073 0.000 0.951 523 E N 1.839 121.960 120.200 -0.132 0.000 2.167 523 E HA 0.477 4.827 4.350 0.000 0.000 0.284 523 E C -0.285 176.154 176.600 -0.268 0.000 1.016 523 E CA -0.382 55.877 56.400 -0.236 0.000 0.817 523 E CB 0.728 30.311 29.700 -0.195 0.000 1.080 523 E HN 0.405 nan 8.360 nan 0.000 0.397 524 I N 2.114 122.468 120.570 -0.361 0.000 2.656 524 I HA 0.276 4.446 4.170 0.000 0.000 0.292 524 I C -0.522 175.398 176.117 -0.328 0.000 1.144 524 I CA -0.502 60.630 61.300 -0.280 0.000 1.038 524 I CB 2.097 39.964 38.000 -0.221 0.000 1.244 524 I HN 0.533 nan 8.210 nan 0.000 0.420 525 S N 2.665 118.231 115.700 -0.224 0.000 2.588 525 S HA 0.740 5.210 4.470 0.000 0.000 0.269 525 S C -0.002 174.546 174.600 -0.086 0.000 1.157 525 S CA -0.112 57.993 58.200 -0.158 0.000 0.824 525 S CB 1.793 64.910 63.200 -0.139 0.000 1.126 525 S HN 1.500 nan 8.310 nan 0.000 0.464 526 G N 0.730 109.498 108.800 -0.054 0.000 2.272 526 G HA2 -0.164 3.796 3.960 0.000 0.000 0.280 526 G HA3 -0.164 3.796 3.960 0.000 0.000 0.280 526 G C -0.335 174.544 174.900 -0.035 0.000 1.067 526 G CA 0.263 45.345 45.100 -0.030 0.000 0.902 526 G HN 0.963 nan 8.290 nan 0.000 0.500 527 L N 0.224 121.421 121.223 -0.043 0.000 2.312 527 L HA 0.730 5.070 4.340 0.000 0.000 0.281 527 L C 0.580 177.436 176.870 -0.023 0.000 1.070 527 L CA -0.410 54.405 54.840 -0.042 0.000 0.805 527 L CB 1.918 43.944 42.059 -0.054 0.000 1.174 527 L HN 0.264 nan 8.230 nan 0.000 0.434 528 S N 1.781 117.469 115.700 -0.019 0.000 2.619 528 S HA 0.748 5.218 4.470 0.000 0.000 0.280 528 S C -0.799 173.808 174.600 0.011 0.000 1.150 528 S CA -0.463 57.737 58.200 0.001 0.000 0.978 528 S CB 1.486 64.690 63.200 0.008 0.000 1.041 528 S HN 0.761 nan 8.310 nan 0.000 0.485 529 S N 4.127 119.846 115.700 0.032 0.000 2.596 529 S HA 0.806 5.276 4.470 0.000 0.000 0.270 529 S C -1.291 173.366 174.600 0.096 0.000 1.155 529 S CA -0.812 57.438 58.200 0.082 0.000 0.827 529 S CB 1.382 64.641 63.200 0.099 0.000 1.130 529 S HN 0.895 nan 8.310 nan 0.000 0.467 530 I N 0.269 120.916 120.570 0.128 0.000 2.619 530 I HA 0.618 4.788 4.170 0.000 0.000 0.292 530 I C 0.730 176.892 176.117 0.075 0.000 1.100 530 I CA 0.472 61.821 61.300 0.082 0.000 1.043 530 I CB 1.595 39.622 38.000 0.045 0.000 1.239 530 I HN 1.421 nan 8.210 nan 0.000 0.420 531 G N 4.297 113.111 108.800 0.023 0.000 2.179 531 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 531 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 531 G C -0.458 174.346 174.900 -0.159 0.000 0.977 531 G CA 0.111 45.168 45.100 -0.073 0.000 0.641 531 G HN 0.555 nan 8.290 nan 0.000 0.533 532 Y N 0.314 120.595 120.300 -0.032 0.000 2.326 532 Y HA 0.460 5.010 4.550 0.000 0.000 0.337 532 Y C -0.789 175.084 175.900 -0.044 0.000 1.023 532 Y CA -1.716 56.356 58.100 -0.047 0.000 1.143 532 Y CB 1.727 40.160 38.460 -0.044 0.000 1.183 532 Y HN -0.041 nan 8.280 nan 0.000 0.485 533 P HA -0.070 nan 4.420 nan 0.000 0.218 533 P C -0.211 177.113 177.300 0.039 0.000 1.149 533 P CA 1.309 64.427 63.100 0.029 0.000 0.817 533 P CB 0.361 32.057 31.700 -0.006 0.000 0.785 534 T N -1.262 113.327 114.554 0.058 0.000 2.861 534 T HA 0.292 4.642 4.350 0.000 0.000 0.287 534 T C 1.119 175.841 174.700 0.036 0.000 1.003 534 T CA -0.599 61.523 62.100 0.036 0.000 0.977 534 T CB 2.410 71.289 68.868 0.017 0.000 0.996 534 T HN -0.377 nan 8.240 nan 0.000 0.448 535 V N 1.422 121.350 119.914 0.024 0.000 2.278 535 V HA 0.307 4.427 4.120 0.000 0.000 0.238 535 V C 1.155 177.231 176.094 -0.029 0.000 1.039 535 V CA 1.064 63.356 62.300 -0.013 0.000 1.017 535 V CB -0.417 31.412 31.823 0.009 0.000 0.657 535 V HN 0.972 nan 8.190 nan 0.000 0.462 536 A N 0.426 123.269 122.820 0.038 0.000 2.343 536 A HA 0.730 5.050 4.320 0.000 0.000 0.316 536 A C -0.209 177.443 177.584 0.114 0.000 1.104 536 A CA -0.541 51.529 52.037 0.056 0.000 0.768 536 A CB 0.922 19.953 19.000 0.052 0.000 1.213 536 A HN 0.364 nan 8.150 nan 0.000 0.456 537 R N 2.703 123.257 120.500 0.091 0.000 2.320 537 R HA 0.554 4.894 4.340 0.000 0.000 0.319 537 R C -1.794 174.567 176.300 0.101 0.000 0.969 537 R CA -0.216 55.946 56.100 0.103 0.000 0.857 537 R CB 0.992 31.348 30.300 0.094 0.000 1.160 537 R HN 0.443 nan 8.270 nan 0.000 0.491 538 V N 4.323 124.320 119.914 0.139 0.000 2.328 538 V HA 0.358 4.478 4.120 0.000 0.000 0.278 538 V C 0.570 176.716 176.094 0.087 0.000 1.021 538 V CA -0.129 62.231 62.300 0.100 0.000 0.838 538 V CB 1.089 32.974 31.823 0.103 0.000 0.999 538 V HN 1.038 nan 8.190 nan 0.000 0.447 539 A N 4.401 127.252 122.820 0.052 0.000 2.596 539 A HA -0.017 4.303 4.320 0.000 0.000 0.300 539 A C 1.808 179.417 177.584 0.042 0.000 1.495 539 A CA 1.464 53.525 52.037 0.040 0.000 0.769 539 A CB -1.482 17.539 19.000 0.035 0.000 1.047 539 A HN 2.528 nan 8.150 nan 0.000 0.436 540 G N -2.814 106.013 108.800 0.044 0.000 2.217 540 G HA2 -0.087 3.873 3.960 0.000 0.000 0.246 540 G HA3 -0.087 3.873 3.960 0.000 0.000 0.246 540 G C 0.383 175.294 174.900 0.020 0.000 0.990 540 G CA 0.742 45.862 45.100 0.033 0.000 0.627 540 G HN 1.839 nan 8.290 nan 0.000 0.522 541 T N 2.229 116.802 114.554 0.033 0.000 2.767 541 T HA 0.537 4.887 4.350 0.000 0.000 0.284 541 T C -0.721 173.941 174.700 -0.063 0.000 0.973 541 T CA -0.365 61.717 62.100 -0.030 0.000 0.996 541 T CB 1.661 70.523 68.868 -0.009 0.000 0.927 541 T HN 0.184 nan 8.240 nan 0.000 0.456 542 D N 2.025 122.314 120.400 -0.184 0.000 2.256 542 D HA 0.317 4.957 4.640 0.000 0.000 0.250 542 D C -0.804 175.255 176.300 -0.403 0.000 1.093 542 D CA 0.062 53.969 54.000 -0.156 0.000 0.882 542 D CB 0.716 41.457 40.800 -0.098 0.000 1.185 542 D HN 0.476 nan 8.370 nan 0.000 0.437 543 Y N 1.554 121.846 120.300 -0.014 0.000 2.332 543 Y HA 0.271 4.821 4.550 0.000 0.000 0.326 543 Y C 0.758 176.647 175.900 -0.018 0.000 0.978 543 Y CA -0.642 57.447 58.100 -0.018 0.000 1.205 543 Y CB 1.213 39.657 38.460 -0.027 0.000 1.131 543 Y HN 0.209 nan 8.280 nan 0.000 0.462 544 N N 1.005 119.753 118.700 0.079 0.000 2.184 544 N HA 0.030 4.770 4.740 0.000 0.000 0.206 544 N C -0.324 175.215 175.510 0.050 0.000 1.151 544 N CA 0.366 53.446 53.050 0.050 0.000 0.878 544 N CB 0.730 39.227 38.487 0.017 0.000 1.014 544 N HN 0.657 nan 8.380 nan 0.000 0.512 545 D N 0.268 120.708 120.400 0.068 0.000 2.571 545 D HA 0.292 4.932 4.640 0.000 0.000 0.239 545 D C 0.527 176.858 176.300 0.050 0.000 1.267 545 D CA 0.075 54.105 54.000 0.050 0.000 0.823 545 D CB 1.269 42.096 40.800 0.043 0.000 1.056 545 D HN 0.167 nan 8.370 nan 0.000 0.494 546 G N 1.079 109.911 108.800 0.053 0.000 2.697 546 G HA2 0.094 4.054 3.960 0.000 0.000 0.686 546 G HA3 0.094 4.054 3.960 0.000 0.000 0.686 546 G C -1.624 173.277 174.900 0.002 0.000 1.179 546 G CA -0.985 44.127 45.100 0.020 0.000 0.765 546 G HN 0.145 nan 8.290 nan 0.000 0.649 547 L N 0.721 121.907 121.223 -0.062 0.000 2.526 547 L HA 0.861 5.201 4.340 0.000 0.000 0.263 547 L C -0.236 176.534 176.870 -0.166 0.000 0.943 547 L CA -0.214 54.528 54.840 -0.163 0.000 0.859 547 L CB 2.527 44.429 42.059 -0.261 0.000 1.313 547 L HN 0.920 nan 8.230 nan 0.000 0.406 548 T N 5.973 120.420 114.554 -0.179 0.000 2.890 548 T HA 0.659 5.009 4.350 0.000 0.000 0.295 548 T C -0.864 173.688 174.700 -0.246 0.000 0.993 548 T CA -0.256 61.732 62.100 -0.188 0.000 0.979 548 T CB 0.748 69.590 68.868 -0.044 0.000 0.967 548 T HN 0.431 nan 8.240 nan 0.000 0.441 549 L N 3.955 124.946 121.223 -0.386 0.000 2.349 549 L HA 0.677 5.017 4.340 0.000 0.000 0.278 549 L C -1.065 175.511 176.870 -0.490 0.000 0.996 549 L CA -0.829 53.810 54.840 -0.334 0.000 0.825 549 L CB 1.359 43.246 42.059 -0.288 0.000 1.243 549 L HN 0.534 nan 8.230 nan 0.000 0.412 550 F N 1.051 120.931 119.950 -0.115 0.000 2.561 550 F HA 0.508 5.035 4.527 0.000 0.000 0.321 550 F C 0.294 176.070 175.800 -0.040 0.000 1.065 550 F CA -0.719 57.247 58.000 -0.057 0.000 0.934 550 F CB 2.030 41.017 39.000 -0.022 0.000 1.215 550 F HN 0.413 nan 8.300 nan 0.000 0.471 551 N N 0.239 119.071 118.700 0.220 0.000 2.432 551 N HA 0.703 5.443 4.740 0.000 0.000 0.292 551 N C 0.013 175.614 175.510 0.151 0.000 1.193 551 N CA 0.156 53.285 53.050 0.131 0.000 0.878 551 N CB 1.644 40.178 38.487 0.079 0.000 1.252 551 N HN 0.905 nan 8.380 nan 0.000 0.520 552 G N -0.318 108.546 108.800 0.108 0.000 2.782 552 G HA2 0.097 4.058 3.960 0.000 0.000 0.228 552 G HA3 0.097 4.058 3.960 0.000 0.000 0.228 552 G C -0.309 174.671 174.900 0.135 0.000 1.372 552 G CA -0.387 44.768 45.100 0.093 0.000 0.862 552 G HN 0.844 nan 8.290 nan 0.000 0.547 553 A N -0.438 122.440 122.820 0.098 0.000 2.584 553 A HA 0.460 4.780 4.320 0.000 0.000 0.239 553 A C -0.093 177.611 177.584 0.200 0.000 1.043 553 A CA 1.284 53.397 52.037 0.127 0.000 0.756 553 A CB 0.026 19.057 19.000 0.052 0.000 0.963 553 A HN 2.009 nan 8.150 nan 0.000 0.511 554 F N 2.589 122.589 119.950 0.084 0.000 2.495 554 F HA 0.702 5.229 4.527 0.000 0.000 0.327 554 F C 0.154 175.998 175.800 0.072 0.000 1.103 554 F CA -0.801 57.237 58.000 0.063 0.000 0.949 554 F CB 1.551 40.603 39.000 0.086 0.000 1.142 554 F HN 0.673 nan 8.300 nan 0.000 0.457 555 R N 4.220 124.213 120.500 -0.845 0.000 2.548 555 R HA 0.824 5.164 4.340 0.000 0.000 0.280 555 R C -2.053 173.720 176.300 -0.877 0.000 1.061 555 R CA -0.689 55.021 56.100 -0.651 0.000 0.915 555 R CB 1.716 31.845 30.300 -0.285 0.000 1.210 555 R HN 0.862 nan 8.270 nan 0.000 0.442 556 A N 1.467 123.935 122.820 -0.587 0.000 2.539 556 A HA 0.488 4.808 4.320 0.000 0.000 0.296 556 A C -0.134 177.354 177.584 -0.159 0.000 1.073 556 A CA -0.072 51.746 52.037 -0.364 0.000 0.700 556 A CB 1.573 20.424 19.000 -0.248 0.000 1.296 556 A HN 1.380 nan 8.150 nan 0.000 0.405 557 S N -0.758 114.878 115.700 -0.106 0.000 3.486 557 S HA -0.156 4.314 4.470 0.000 0.000 0.371 557 S C 0.083 174.652 174.600 -0.052 0.000 1.001 557 S CA 1.356 59.521 58.200 -0.058 0.000 1.164 557 S CB -2.429 60.755 63.200 -0.028 0.000 0.911 557 S HN 1.770 nan 8.310 nan 0.000 0.472 558 T N 0.922 115.433 114.554 -0.072 0.000 3.170 558 T HA 0.532 4.882 4.350 0.000 0.000 0.315 558 T C 1.208 175.871 174.700 -0.062 0.000 0.967 558 T CA -0.274 61.792 62.100 -0.057 0.000 1.024 558 T CB 1.746 70.579 68.868 -0.058 0.000 1.018 558 T HN 0.561 nan 8.240 nan 0.000 0.449 559 T N -0.548 113.979 114.554 -0.045 0.000 3.023 559 T HA 0.188 4.538 4.350 0.000 0.000 0.266 559 T C 0.893 175.568 174.700 -0.042 0.000 1.093 559 T CA 0.379 62.453 62.100 -0.043 0.000 1.129 559 T CB 0.204 69.053 68.868 -0.032 0.000 0.899 559 T HN 0.480 nan 8.240 nan 0.000 0.491 560 S N -0.148 115.529 115.700 -0.039 0.000 2.537 560 S HA 0.623 5.093 4.470 0.000 0.000 0.270 560 S C -1.302 173.277 174.600 -0.034 0.000 1.142 560 S CA -0.235 57.944 58.200 -0.035 0.000 0.870 560 S CB 1.676 64.860 63.200 -0.027 0.000 1.112 560 S HN 0.930 nan 8.310 nan 0.000 0.466 561 S N 2.015 117.695 115.700 -0.033 0.000 2.611 561 S HA 0.815 5.285 4.470 0.000 0.000 0.268 561 S C 0.314 174.898 174.600 -0.027 0.000 1.156 561 S CA -0.364 57.818 58.200 -0.030 0.000 0.817 561 S CB 0.668 63.847 63.200 -0.034 0.000 1.122 561 S HN 1.208 nan 8.310 nan 0.000 0.466 562 G N 0.532 109.317 108.800 -0.024 0.000 2.504 562 G HA2 0.476 4.436 3.960 0.000 0.000 0.257 562 G HA3 0.476 4.436 3.960 0.000 0.000 0.257 562 G C -0.318 174.569 174.900 -0.022 0.000 1.451 562 G CA -0.619 44.468 45.100 -0.022 0.000 1.059 562 G HN 0.854 nan 8.290 nan 0.000 0.550 563 K N -0.431 119.958 120.400 -0.018 0.000 2.401 563 K HA 0.255 4.575 4.320 0.000 0.000 0.278 563 K C -0.441 176.154 176.600 -0.008 0.000 1.018 563 K CA 0.319 56.599 56.287 -0.013 0.000 0.981 563 K CB 0.011 32.507 32.500 -0.006 0.000 0.933 563 K HN 0.225 nan 8.250 nan 0.000 0.477 564 I N 4.497 125.066 120.570 -0.001 0.000 2.418 564 I HA 0.169 4.339 4.170 0.000 0.000 0.287 564 I C 0.230 176.374 176.117 0.045 0.000 1.008 564 I CA -1.047 60.263 61.300 0.017 0.000 1.104 564 I CB 1.403 39.413 38.000 0.016 0.000 1.264 564 I HN 0.649 nan 8.210 nan 0.000 0.438 565 H N 4.557 123.609 119.070 -0.030 0.000 2.771 565 H HA 0.022 4.578 4.556 0.000 0.000 0.364 565 H C 1.152 176.486 175.328 0.011 0.000 1.133 565 H CA 0.766 56.803 56.048 -0.019 0.000 1.423 565 H CB 1.478 31.217 29.762 -0.040 0.000 1.425 565 H HN 0.780 nan 8.280 nan 0.000 0.606 566 S N 2.175 117.706 115.700 -0.281 0.000 2.469 566 S HA -0.109 4.361 4.470 0.000 0.000 0.238 566 S C 0.667 175.345 174.600 0.129 0.000 0.998 566 S CA 1.050 59.209 58.200 -0.068 0.000 0.957 566 S CB -0.009 63.100 63.200 -0.151 0.000 0.764 566 S HN 0.710 nan 8.310 nan 0.000 0.514 567 E N 1.019 121.441 120.200 0.370 0.000 2.723 567 E HA 0.467 4.817 4.350 0.000 0.000 0.219 567 E C 0.344 177.055 176.600 0.184 0.000 1.060 567 E CA -0.393 56.168 56.400 0.268 0.000 1.291 567 E CB 0.705 30.536 29.700 0.217 0.000 1.265 567 E HN 0.584 nan 8.360 nan 0.000 0.438 568 G N 0.857 109.766 108.800 0.183 0.000 2.766 568 G HA2 0.710 4.670 3.960 0.000 0.000 0.288 568 G HA3 0.710 4.670 3.960 0.000 0.000 0.288 568 G C -1.242 173.751 174.900 0.154 0.000 1.408 568 G CA -0.773 44.342 45.100 0.026 0.000 0.852 568 G HN 0.169 nan 8.290 nan 0.000 0.487 569 F N -2.022 117.988 119.950 0.101 0.000 2.719 569 F HA 0.789 5.316 4.527 0.000 0.000 0.309 569 F C -1.569 174.269 175.800 0.063 0.000 1.138 569 F CA -1.480 56.599 58.000 0.131 0.000 0.943 569 F CB 1.419 40.563 39.000 0.240 0.000 1.304 569 F HN 0.437 nan 8.300 nan 0.000 0.445 570 I N 3.155 123.894 120.570 0.281 0.000 2.533 570 I HA 0.560 4.730 4.170 0.000 0.000 0.290 570 I C -1.003 175.213 176.117 0.165 0.000 1.056 570 I CA -0.705 60.706 61.300 0.184 0.000 1.057 570 I CB 2.183 40.204 38.000 0.035 0.000 1.240 570 I HN 0.636 nan 8.210 nan 0.000 0.423 571 M N 3.304 123.016 119.600 0.186 0.000 2.550 571 M HA 0.461 4.941 4.480 0.000 0.000 0.292 571 M C 0.570 176.905 176.300 0.059 0.000 1.221 571 M CA -0.637 54.715 55.300 0.086 0.000 0.873 571 M CB 2.204 34.868 32.600 0.107 0.000 1.727 571 M HN 0.788 nan 8.290 nan 0.000 0.459 572 G N 1.784 110.597 108.800 0.020 0.000 2.356 572 G HA2 -0.192 3.768 3.960 0.000 0.000 0.296 572 G HA3 -0.192 3.768 3.960 0.000 0.000 0.296 572 G C -0.386 174.525 174.900 0.018 0.000 1.022 572 G CA 0.557 45.667 45.100 0.017 0.000 0.961 572 G HN 0.632 nan 8.290 nan 0.000 0.510 573 S N -1.336 114.369 115.700 0.009 0.000 2.634 573 S HA 0.883 5.353 4.470 0.000 0.000 0.296 573 S C 0.485 175.083 174.600 -0.004 0.000 1.104 573 S CA -0.047 58.158 58.200 0.008 0.000 0.920 573 S CB 2.112 65.319 63.200 0.013 0.000 1.111 573 S HN 1.067 nan 8.310 nan 0.000 0.493 574 T N -0.980 113.572 114.554 -0.003 0.000 2.889 574 T HA 0.640 4.990 4.350 0.000 0.000 0.278 574 T C 0.466 175.159 174.700 -0.011 0.000 0.995 574 T CA -0.653 61.442 62.100 -0.008 0.000 0.966 574 T CB 0.544 69.409 68.868 -0.005 0.000 1.237 574 T HN 0.692 nan 8.240 nan 0.000 0.591 575 S N -0.858 114.835 115.700 -0.012 0.000 2.569 575 S HA 0.423 4.893 4.470 0.000 0.000 0.274 575 S C 1.465 176.057 174.600 -0.013 0.000 1.353 575 S CA 0.046 58.237 58.200 -0.015 0.000 1.023 575 S CB -0.438 62.753 63.200 -0.014 0.000 0.876 575 S HN 2.435 nan 8.310 nan 0.000 0.540 576 G N 0.019 108.810 108.800 -0.016 0.000 2.157 576 G HA2 -0.218 3.742 3.960 0.000 0.000 0.239 576 G HA3 -0.218 3.742 3.960 0.000 0.000 0.239 576 G C 0.214 175.103 174.900 -0.018 0.000 0.982 576 G CA -0.121 44.970 45.100 -0.015 0.000 0.650 576 G HN 1.012 nan 8.290 nan 0.000 0.527 577 C N 0.813 120.102 119.300 -0.019 0.000 2.398 577 C HA 0.778 5.238 4.460 0.000 0.000 0.364 577 C C 0.421 175.394 174.990 -0.028 0.000 1.219 577 C CA -0.423 58.582 59.018 -0.022 0.000 2.312 577 C CB 1.045 28.774 27.740 -0.018 0.000 2.428 577 C HN 0.539 nan 8.230 nan 0.000 0.564 578 E N 0.028 120.206 120.200 -0.037 0.000 2.366 578 E HA 0.595 4.945 4.350 0.000 0.000 0.278 578 E C -1.270 175.292 176.600 -0.063 0.000 0.923 578 E CA -0.546 55.829 56.400 -0.041 0.000 0.761 578 E CB 1.979 31.658 29.700 -0.035 0.000 1.231 578 E HN 0.692 nan 8.360 nan 0.000 0.443 579 A N 1.232 124.010 122.820 -0.069 0.000 2.984 579 A HA 0.289 4.609 4.320 0.000 0.000 0.320 579 A C 0.249 177.797 177.584 -0.060 0.000 1.142 579 A CA -0.560 51.411 52.037 -0.110 0.000 0.772 579 A CB 0.069 18.957 19.000 -0.187 0.000 1.195 579 A HN 0.518 nan 8.150 nan 0.000 0.459 580 S N 0.036 115.707 115.700 -0.049 0.000 2.575 580 S HA 0.326 4.796 4.470 0.000 0.000 0.215 580 S C 0.644 175.254 174.600 0.016 0.000 0.966 580 S CA 0.557 58.761 58.200 0.006 0.000 0.911 580 S CB -0.789 62.407 63.200 -0.008 0.000 0.780 580 S HN 1.616 nan 8.310 nan 0.000 0.514 581 V N -2.155 117.684 119.914 -0.126 0.000 3.126 581 V HA 0.732 4.852 4.120 0.000 0.000 0.314 581 V C 0.143 175.808 176.094 -0.716 0.000 1.138 581 V CA -1.067 61.014 62.300 -0.365 0.000 1.034 581 V CB 1.069 32.740 31.823 -0.255 0.000 1.075 581 V HN 0.127 nan 8.190 nan 0.000 0.442 582 S N 1.227 116.287 115.700 -1.067 0.000 2.558 582 S HA 0.180 4.650 4.470 0.000 0.000 0.293 582 S C 0.511 174.908 174.600 -0.337 0.000 1.292 582 S CA 0.791 58.574 58.200 -0.696 0.000 1.063 582 S CB -0.793 62.170 63.200 -0.395 0.000 0.831 582 S HN 1.033 nan 8.310 nan 0.000 0.499 583 K N 1.208 121.490 120.400 -0.197 0.000 3.244 583 K HA -0.145 4.175 4.320 0.000 0.000 0.270 583 K C -0.487 175.985 176.600 -0.213 0.000 1.016 583 K CA 0.868 57.064 56.287 -0.152 0.000 0.754 583 K CB -2.451 29.960 32.500 -0.149 0.000 1.326 583 K HN 0.748 nan 8.250 nan 0.000 0.465 584 S N -0.843 114.701 115.700 -0.259 0.000 2.548 584 S HA 0.868 5.338 4.470 0.000 0.000 0.286 584 S C -0.017 174.269 174.600 -0.523 0.000 1.098 584 S CA -0.206 57.810 58.200 -0.307 0.000 0.930 584 S CB 2.797 65.850 63.200 -0.246 0.000 1.070 584 S HN 0.497 nan 8.310 nan 0.000 0.480 585 G N 0.389 108.834 108.800 -0.590 0.000 2.720 585 G HA2 0.600 4.560 3.960 0.000 0.000 0.295 585 G HA3 0.600 4.560 3.960 0.000 0.000 0.295 585 G C -1.888 172.766 174.900 -0.411 0.000 1.437 585 G CA -0.685 43.793 45.100 -1.037 0.000 0.886 585 G HN 0.988 nan 8.290 nan 0.000 0.509 586 V N 1.469 121.248 119.914 -0.226 0.000 2.588 586 V HA 0.636 4.756 4.120 0.000 0.000 0.304 586 V C -0.263 175.920 176.094 0.147 0.000 1.042 586 V CA -0.598 61.696 62.300 -0.011 0.000 0.877 586 V CB 1.463 33.270 31.823 -0.027 0.000 0.996 586 V HN 0.647 nan 8.190 nan 0.000 0.425 587 L N 3.283 124.594 121.223 0.148 0.000 2.354 587 L HA 0.577 4.917 4.340 0.000 0.000 0.269 587 L C 0.664 177.582 176.870 0.080 0.000 1.005 587 L CA -0.645 54.282 54.840 0.146 0.000 0.819 587 L CB 2.206 44.361 42.059 0.161 0.000 1.311 587 L HN 0.930 nan 8.230 nan 0.000 0.423 588 T N -1.534 113.057 114.554 0.062 0.000 3.795 588 T HA -0.183 4.167 4.350 0.000 0.000 0.370 588 T C 0.063 174.783 174.700 0.033 0.000 0.761 588 T CA 0.824 62.948 62.100 0.041 0.000 1.923 588 T CB -1.868 67.024 68.868 0.040 0.000 1.795 588 T HN 0.618 nan 8.240 nan 0.000 0.762 589 S N 0.101 115.818 115.700 0.028 0.000 2.697 589 S HA 0.900 5.370 4.470 0.000 0.000 0.289 589 S C -0.253 174.354 174.600 0.011 0.000 1.149 589 S CA -0.397 57.814 58.200 0.019 0.000 0.850 589 S CB 2.307 65.517 63.200 0.017 0.000 1.151 589 S HN 1.251 nan 8.310 nan 0.000 0.491 590 S N -0.234 115.470 115.700 0.007 0.000 2.536 590 S HA 0.659 5.129 4.470 0.000 0.000 0.287 590 S C -0.299 174.300 174.600 -0.001 0.000 1.101 590 S CA -0.649 57.552 58.200 0.002 0.000 0.950 590 S CB 1.291 64.493 63.200 0.003 0.000 1.056 590 S HN 0.916 nan 8.310 nan 0.000 0.481 591 S N 0.965 116.661 115.700 -0.006 0.000 3.427 591 S HA -0.131 4.339 4.470 0.000 0.000 0.373 591 S C 0.070 174.663 174.600 -0.011 0.000 0.973 591 S CA 0.930 59.124 58.200 -0.009 0.000 1.218 591 S CB -1.918 61.277 63.200 -0.007 0.000 0.912 591 S HN 0.868 nan 8.310 nan 0.000 0.483 592 S N 1.022 116.714 115.700 -0.013 0.000 2.500 592 S HA 0.592 5.062 4.470 0.000 0.000 0.301 592 S C -0.156 174.428 174.600 -0.028 0.000 1.092 592 S CA -1.003 57.187 58.200 -0.017 0.000 1.030 592 S CB 1.739 64.932 63.200 -0.012 0.000 1.031 592 S HN 0.372 nan 8.310 nan 0.000 0.483 593 K N 1.312 121.692 120.400 -0.034 0.000 2.427 593 K HA 0.610 4.930 4.320 0.000 0.000 0.252 593 K C -0.953 175.613 176.600 -0.056 0.000 0.931 593 K CA -0.701 55.559 56.287 -0.044 0.000 0.793 593 K CB 2.165 34.643 32.500 -0.038 0.000 1.211 593 K HN 0.503 nan 8.250 nan 0.000 0.426 594 T N 0.061 114.571 114.554 -0.074 0.000 2.841 594 T HA 0.250 4.600 4.350 0.000 0.000 0.285 594 T C -0.064 174.578 174.700 -0.097 0.000 0.991 594 T CA -0.544 61.502 62.100 -0.091 0.000 0.966 594 T CB 0.761 69.560 68.868 -0.115 0.000 0.962 594 T HN 0.560 nan 8.240 nan 0.000 0.438 595 S N 2.599 118.244 115.700 -0.092 0.000 2.741 595 S HA 0.325 4.795 4.470 0.000 0.000 0.247 595 S C 0.338 174.868 174.600 -0.117 0.000 1.050 595 S CA -0.616 57.528 58.200 -0.094 0.000 1.025 595 S CB 0.225 63.384 63.200 -0.068 0.000 0.897 595 S HN 0.550 nan 8.310 nan 0.000 0.508 596 S N 1.930 117.548 115.700 -0.137 0.000 2.422 596 S HA 0.312 4.782 4.470 0.000 0.000 0.308 596 S C -0.348 174.124 174.600 -0.214 0.000 1.097 596 S CA -0.449 57.655 58.200 -0.160 0.000 1.099 596 S CB 0.820 63.932 63.200 -0.146 0.000 0.976 596 S HN 0.584 nan 8.310 nan 0.000 0.471 597 E N 3.759 123.816 120.200 -0.238 0.000 2.299 597 E HA 0.157 4.507 4.350 0.000 0.000 0.272 597 E C -0.506 175.853 176.600 -0.402 0.000 1.043 597 E CA -0.020 56.206 56.400 -0.290 0.000 0.895 597 E CB 0.147 29.690 29.700 -0.261 0.000 1.011 597 E HN 0.710 nan 8.360 nan 0.000 0.432 598 R N 2.124 122.404 120.500 -0.367 0.000 2.650 598 R HA -0.128 4.212 4.340 0.000 0.000 0.315 598 R C -1.221 174.895 176.300 -0.306 0.000 0.986 598 R CA 0.707 56.572 56.100 -0.393 0.000 0.744 598 R CB -2.253 27.626 30.300 -0.702 0.000 2.072 598 R HN 0.662 nan 8.270 nan 0.000 0.477 599 S N 0.377 115.954 115.700 -0.206 0.000 2.596 599 S HA 0.861 5.331 4.470 0.000 0.000 0.270 599 S C -1.180 173.354 174.600 -0.110 0.000 1.155 599 S CA -1.188 56.921 58.200 -0.151 0.000 0.827 599 S CB 2.861 65.964 63.200 -0.161 0.000 1.130 599 S HN 0.347 nan 8.310 nan 0.000 0.467 600 L N 0.970 122.155 121.223 -0.064 0.000 2.493 600 L HA 0.697 5.037 4.340 0.000 0.000 0.265 600 L C -1.946 174.915 176.870 -0.015 0.000 0.954 600 L CA -0.516 54.309 54.840 -0.026 0.000 0.844 600 L CB 1.616 43.702 42.059 0.045 0.000 1.302 600 L HN 0.910 nan 8.230 nan 0.000 0.405 601 I N 4.431 124.991 120.570 -0.016 0.000 2.404 601 I HA 0.842 5.012 4.170 0.000 0.000 0.293 601 I C -0.214 175.923 176.117 0.033 0.000 0.992 601 I CA -0.551 60.749 61.300 0.001 0.000 1.149 601 I CB 1.825 39.815 38.000 -0.018 0.000 1.315 601 I HN 0.792 nan 8.210 nan 0.000 0.446 602 A N 3.635 126.479 122.820 0.040 0.000 2.539 602 A HA 0.723 5.043 4.320 0.000 0.000 0.296 602 A C 0.384 177.993 177.584 0.041 0.000 1.073 602 A CA -0.120 51.948 52.037 0.052 0.000 0.700 602 A CB 1.518 20.557 19.000 0.066 0.000 1.296 602 A HN 1.107 nan 8.150 nan 0.000 0.405 603 G N 0.510 109.334 108.800 0.040 0.000 2.305 603 G HA2 -0.057 3.903 3.960 0.000 0.000 0.287 603 G HA3 -0.057 3.903 3.960 0.000 0.000 0.287 603 G C 0.259 175.177 174.900 0.030 0.000 1.036 603 G CA 0.861 45.982 45.100 0.034 0.000 0.887 603 G HN 1.269 nan 8.290 nan 0.000 0.505 604 S N -1.221 114.494 115.700 0.026 0.000 2.671 604 S HA 0.908 5.378 4.470 0.000 0.000 0.299 604 S C 0.015 174.625 174.600 0.017 0.000 1.116 604 S CA 0.034 58.247 58.200 0.022 0.000 0.912 604 S CB 2.236 65.447 63.200 0.018 0.000 1.130 604 S HN 1.433 nan 8.310 nan 0.000 0.501 605 S N -0.475 115.235 115.700 0.016 0.000 2.548 605 S HA 0.628 5.098 4.470 0.000 0.000 0.286 605 S C -0.109 174.495 174.600 0.007 0.000 1.098 605 S CA -0.120 58.087 58.200 0.011 0.000 0.930 605 S CB 0.967 64.175 63.200 0.014 0.000 1.070 605 S HN 1.564 nan 8.310 nan 0.000 0.480 606 T N -0.706 113.849 114.554 0.002 0.000 3.760 606 T HA -0.162 4.188 4.350 0.000 0.000 0.366 606 T C 0.132 174.828 174.700 -0.007 0.000 0.761 606 T CA 1.034 63.132 62.100 -0.003 0.000 1.887 606 T CB -2.685 66.183 68.868 -0.000 0.000 1.811 606 T HN 0.814 nan 8.240 nan 0.000 0.749 607 S N 0.436 116.131 115.700 -0.009 0.000 2.621 607 S HA 0.738 5.208 4.470 0.000 0.000 0.302 607 S C -0.300 174.287 174.600 -0.022 0.000 1.093 607 S CA -0.943 57.249 58.200 -0.013 0.000 1.017 607 S CB 2.272 65.467 63.200 -0.007 0.000 1.077 607 S HN 0.692 nan 8.310 nan 0.000 0.517 608 E N 0.264 120.447 120.200 -0.027 0.000 2.304 608 E HA 0.607 4.957 4.350 0.000 0.000 0.277 608 E C -1.683 174.893 176.600 -0.040 0.000 0.898 608 E CA -0.689 55.690 56.400 -0.035 0.000 0.764 608 E CB 1.458 31.138 29.700 -0.033 0.000 1.216 608 E HN 0.689 nan 8.360 nan 0.000 0.419 609 A N 4.116 126.905 122.820 -0.051 0.000 2.303 609 A HA 0.500 4.820 4.320 0.000 0.000 0.320 609 A C -0.166 177.377 177.584 -0.068 0.000 1.192 609 A CA -0.599 51.402 52.037 -0.060 0.000 0.821 609 A CB 0.570 19.528 19.000 -0.071 0.000 1.188 609 A HN 0.669 nan 8.150 nan 0.000 0.492 610 K N 2.381 122.742 120.400 -0.064 0.000 2.586 610 K HA 0.259 4.579 4.320 0.000 0.000 0.198 610 K C 0.621 177.183 176.600 -0.064 0.000 1.170 610 K CA 0.281 56.530 56.287 -0.064 0.000 1.069 610 K CB 0.680 33.150 32.500 -0.050 0.000 0.944 610 K HN 0.632 nan 8.250 nan 0.000 0.572 611 G N 1.582 110.339 108.800 -0.070 0.000 3.411 611 G HA2 0.382 4.342 3.960 0.000 0.000 0.186 611 G HA3 0.382 4.342 3.960 0.000 0.000 0.186 611 G C -0.335 174.501 174.900 -0.106 0.000 1.766 611 G CA 0.391 45.450 45.100 -0.068 0.000 0.971 611 G HN 0.265 nan 8.290 nan 0.000 0.590 612 T N -5.085 109.391 114.554 -0.130 0.000 2.868 612 T HA 0.423 4.773 4.350 0.000 0.000 0.306 612 T C -0.556 173.985 174.700 -0.264 0.000 1.224 612 T CA -0.611 61.354 62.100 -0.225 0.000 1.012 612 T CB 1.381 70.139 68.868 -0.183 0.000 1.221 612 T HN 0.895 nan 8.240 nan 0.000 0.499 613 Y N -0.549 119.494 120.300 -0.428 0.000 3.305 613 Y HA -0.195 4.355 4.550 0.000 0.000 0.212 613 Y C 0.247 175.951 175.900 -0.327 0.000 1.248 613 Y CA 0.078 57.869 58.100 -0.515 0.000 1.359 613 Y CB -2.059 35.678 38.460 -1.204 0.000 1.407 613 Y HN 0.667 nan 8.280 nan 0.000 0.572 614 N N 0.705 119.328 118.700 -0.128 0.000 2.456 614 N HA 0.483 5.223 4.740 0.000 0.000 0.288 614 N C -0.131 175.353 175.510 -0.043 0.000 1.059 614 N CA -0.280 52.726 53.050 -0.074 0.000 0.946 614 N CB 1.711 40.149 38.487 -0.082 0.000 1.150 614 N HN 0.071 nan 8.380 nan 0.000 0.479 615 T N 2.021 116.569 114.554 -0.010 0.000 2.841 615 T HA 0.564 4.914 4.350 0.000 0.000 0.285 615 T C 0.110 174.816 174.700 0.010 0.000 0.991 615 T CA -0.431 61.673 62.100 0.008 0.000 0.966 615 T CB 0.841 69.730 68.868 0.034 0.000 0.962 615 T HN 0.260 nan 8.240 nan 0.000 0.438 616 I N 4.266 124.841 120.570 0.008 0.000 2.468 616 I HA 0.461 4.631 4.170 0.000 0.000 0.285 616 I C -0.993 175.138 176.117 0.023 0.000 1.039 616 I CA -0.767 60.541 61.300 0.012 0.000 1.074 616 I CB 1.552 39.552 38.000 -0.000 0.000 1.228 616 I HN 0.340 nan 8.210 nan 0.000 0.436 617 L N 4.939 126.182 121.223 0.032 0.000 2.386 617 L HA 0.595 4.935 4.340 0.000 0.000 0.271 617 L C 0.840 177.734 176.870 0.041 0.000 0.993 617 L CA -0.810 54.053 54.840 0.039 0.000 0.819 617 L CB 1.986 44.072 42.059 0.045 0.000 1.294 617 L HN 0.850 nan 8.230 nan 0.000 0.414 618 G N 1.955 110.779 108.800 0.039 0.000 2.366 618 G HA2 -0.229 3.731 3.960 0.000 0.000 0.299 618 G HA3 -0.229 3.731 3.960 0.000 0.000 0.299 618 G C -0.028 174.898 174.900 0.044 0.000 1.020 618 G CA 0.579 45.704 45.100 0.041 0.000 1.026 618 G HN 0.506 nan 8.290 nan 0.000 0.512 619 S N -1.262 114.461 115.700 0.038 0.000 2.632 619 S HA 0.815 5.285 4.470 0.000 0.000 0.289 619 S C -0.404 174.217 174.600 0.034 0.000 1.115 619 S CA -0.738 57.485 58.200 0.039 0.000 0.889 619 S CB 2.468 65.686 63.200 0.031 0.000 1.116 619 S HN 0.877 nan 8.310 nan 0.000 0.486 620 L N 1.224 122.471 121.223 0.040 0.000 2.409 620 L HA 0.653 4.993 4.340 0.000 0.000 0.272 620 L C 0.498 177.385 176.870 0.029 0.000 0.980 620 L CA -0.008 54.854 54.840 0.037 0.000 0.826 620 L CB 1.109 43.199 42.059 0.051 0.000 1.268 620 L HN 0.935 nan 8.230 nan 0.000 0.407 621 G N 3.517 112.325 108.800 0.014 0.000 2.305 621 G HA2 -0.195 3.765 3.960 0.000 0.000 0.287 621 G HA3 -0.195 3.765 3.960 0.000 0.000 0.287 621 G C 0.131 175.021 174.900 -0.017 0.000 1.036 621 G CA 0.402 45.501 45.100 -0.002 0.000 0.887 621 G HN 1.075 nan 8.290 nan 0.000 0.505 622 A N -0.788 122.025 122.820 -0.012 0.000 2.301 622 A HA 0.841 5.161 4.320 0.000 0.000 0.312 622 A C 0.016 177.585 177.584 -0.026 0.000 1.182 622 A CA -0.316 51.709 52.037 -0.020 0.000 0.826 622 A CB 1.904 20.900 19.000 -0.007 0.000 1.134 622 A HN 1.191 nan 8.150 nan 0.000 0.501 623 V N 1.315 121.208 119.914 -0.034 0.000 2.531 623 V HA 0.672 4.792 4.120 0.000 0.000 0.301 623 V C 0.143 176.216 176.094 -0.035 0.000 1.034 623 V CA -0.307 61.971 62.300 -0.035 0.000 0.865 623 V CB 1.592 33.392 31.823 -0.039 0.000 0.995 623 V HN 1.215 nan 8.190 nan 0.000 0.424 624 A N 3.069 125.868 122.820 -0.034 0.000 2.285 624 A HA 0.753 5.073 4.320 0.000 0.000 0.310 624 A C -0.101 177.461 177.584 -0.037 0.000 1.266 624 A CA -0.463 51.554 52.037 -0.033 0.000 0.832 624 A CB 0.486 19.468 19.000 -0.030 0.000 1.163 624 A HN 0.912 nan 8.150 nan 0.000 0.499 625 D N 1.070 121.450 120.400 -0.033 0.000 2.599 625 D HA 0.306 4.946 4.640 0.000 0.000 0.249 625 D C -0.093 176.192 176.300 -0.025 0.000 1.313 625 D CA -0.044 53.936 54.000 -0.033 0.000 0.815 625 D CB 0.438 41.219 40.800 -0.031 0.000 1.077 625 D HN 0.375 nan 8.370 nan 0.000 0.492 626 E N 0.810 120.998 120.200 -0.020 0.000 2.416 626 E HA 0.252 4.602 4.350 0.000 0.000 0.273 626 E C -0.923 175.676 176.600 -0.002 0.000 0.935 626 E CA -0.797 55.601 56.400 -0.004 0.000 0.784 626 E CB 1.338 31.042 29.700 0.006 0.000 1.301 626 E HN 0.131 nan 8.360 nan 0.000 0.454 627 Q N 2.030 121.849 119.800 0.032 0.000 2.286 627 Q HA 0.156 4.496 4.340 0.000 0.000 0.290 627 Q C -0.579 175.479 176.000 0.096 0.000 1.049 627 Q CA 0.259 56.086 55.803 0.038 0.000 0.923 627 Q CB -0.059 28.784 28.738 0.174 0.000 1.183 627 Q HN 0.657 nan 8.270 nan 0.000 0.383 628 F N -1.143 118.731 119.950 -0.126 0.000 2.871 628 F HA -0.313 4.214 4.527 0.000 0.000 0.326 628 F C 0.683 176.376 175.800 -0.179 0.000 0.675 628 F CA 0.716 58.549 58.000 -0.278 0.000 1.188 628 F CB -1.866 36.594 39.000 -0.900 0.000 1.567 628 F HN 0.794 nan 8.300 nan 0.000 0.325 629 A N 0.349 123.180 122.820 0.017 0.000 2.407 629 A HA 0.790 5.110 4.320 0.000 0.000 0.248 629 A C 0.438 178.026 177.584 0.008 0.000 1.082 629 A CA 0.538 52.581 52.037 0.010 0.000 0.785 629 A CB 0.661 19.657 19.000 -0.006 0.000 1.020 629 A HN 1.316 nan 8.150 nan 0.000 0.489 630 A N 0.776 123.606 122.820 0.016 0.000 2.612 630 A HA 0.722 5.042 4.320 0.000 0.000 0.293 630 A C -1.641 175.956 177.584 0.021 0.000 1.075 630 A CA -0.492 51.557 52.037 0.021 0.000 0.680 630 A CB 0.964 19.990 19.000 0.043 0.000 1.279 630 A HN 1.006 nan 8.150 nan 0.000 0.411 631 L N 0.526 121.762 121.223 0.022 0.000 2.455 631 L HA 0.701 5.041 4.340 0.000 0.000 0.264 631 L C -0.920 175.974 176.870 0.040 0.000 0.968 631 L CA 0.072 54.928 54.840 0.026 0.000 0.827 631 L CB 1.994 44.059 42.059 0.009 0.000 1.317 631 L HN 0.622 nan 8.230 nan 0.000 0.407 632 I N 1.318 121.921 120.570 0.056 0.000 2.499 632 I HA 0.384 4.554 4.170 0.000 0.000 0.288 632 I C -0.083 176.079 176.117 0.075 0.000 1.048 632 I CA -0.685 60.653 61.300 0.064 0.000 1.062 632 I CB 2.023 40.067 38.000 0.073 0.000 1.238 632 I HN 0.642 nan 8.210 nan 0.000 0.426 633 S N 3.426 119.168 115.700 0.069 0.000 3.608 633 S HA -0.145 4.325 4.470 0.000 0.000 0.382 633 S C -0.160 174.495 174.600 0.091 0.000 0.945 633 S CA 0.743 58.991 58.200 0.080 0.000 1.256 633 S CB -0.859 62.394 63.200 0.088 0.000 0.913 633 S HN 0.872 nan 8.310 nan 0.000 0.518 634 A N 0.720 123.585 122.820 0.075 0.000 2.401 634 A HA 0.862 5.182 4.320 0.000 0.000 0.310 634 A C -0.027 177.601 177.584 0.073 0.000 1.075 634 A CA -0.483 51.597 52.037 0.072 0.000 0.746 634 A CB 1.873 20.894 19.000 0.035 0.000 1.277 634 A HN 0.401 nan 8.150 nan 0.000 0.425 635 S N 1.271 117.031 115.700 0.099 0.000 2.521 635 S HA 0.502 4.972 4.470 0.000 0.000 0.295 635 S C -0.754 173.859 174.600 0.022 0.000 1.098 635 S CA -0.402 57.873 58.200 0.124 0.000 0.999 635 S CB 1.396 64.758 63.200 0.271 0.000 1.034 635 S HN 0.703 nan 8.310 nan 0.000 0.483 636 Q N 0.575 120.363 119.800 -0.021 0.000 2.439 636 Q HA -0.156 4.184 4.340 0.000 0.000 0.325 636 Q C -0.693 175.176 176.000 -0.218 0.000 1.372 636 Q CA 0.681 56.401 55.803 -0.139 0.000 0.909 636 Q CB -1.916 26.674 28.738 -0.246 0.000 1.167 636 Q HN 0.621 nan 8.270 nan 0.000 0.418 637 S N -0.101 115.519 115.700 -0.133 0.000 2.569 637 S HA 0.769 5.239 4.470 0.000 0.000 0.280 637 S C -0.367 174.179 174.600 -0.089 0.000 1.111 637 S CA -0.931 57.190 58.200 -0.132 0.000 0.887 637 S CB 2.938 66.072 63.200 -0.110 0.000 1.095 637 S HN 0.374 nan 8.310 nan 0.000 0.476 638 R N 1.088 121.535 120.500 -0.088 0.000 2.502 638 R HA 0.671 5.011 4.340 0.000 0.000 0.300 638 R C -1.479 174.785 176.300 -0.060 0.000 0.984 638 R CA -0.557 55.504 56.100 -0.066 0.000 0.882 638 R CB 1.206 31.467 30.300 -0.065 0.000 1.180 638 R HN 0.739 nan 8.270 nan 0.000 0.444 639 A N 2.850 125.643 122.820 -0.046 0.000 2.253 639 A HA 0.390 4.710 4.320 0.000 0.000 0.316 639 A C -0.148 177.418 177.584 -0.030 0.000 1.327 639 A CA -0.469 51.546 52.037 -0.038 0.000 0.917 639 A CB 1.123 20.107 19.000 -0.026 0.000 1.162 639 A HN 0.771 nan 8.150 nan 0.000 0.535 640 S N 1.642 117.325 115.700 -0.029 0.000 2.650 640 S HA 0.280 4.750 4.470 0.000 0.000 0.240 640 S C 0.879 175.472 174.600 -0.013 0.000 1.007 640 S CA 0.240 58.427 58.200 -0.021 0.000 0.984 640 S CB 0.528 63.714 63.200 -0.024 0.000 0.910 640 S HN 1.000 nan 8.310 nan 0.000 0.509 641 G N 1.756 110.548 108.800 -0.013 0.000 2.451 641 G HA2 0.401 4.362 3.960 0.000 0.000 0.303 641 G HA3 0.401 4.362 3.960 0.000 0.000 0.303 641 G C -0.408 174.485 174.900 -0.011 0.000 1.166 641 G CA -0.587 44.507 45.100 -0.010 0.000 0.884 641 G HN 0.214 nan 8.290 nan 0.000 0.514 642 N N -0.004 118.681 118.700 -0.025 0.000 2.452 642 N HA 0.028 4.768 4.740 0.000 0.000 0.266 642 N C 0.181 175.607 175.510 -0.141 0.000 1.209 642 N CA 0.106 53.134 53.050 -0.037 0.000 0.929 642 N CB -0.273 38.182 38.487 -0.053 0.000 1.063 642 N HN 0.609 nan 8.380 nan 0.000 0.472 643 H N -0.268 118.659 119.070 -0.238 0.000 2.791 643 H HA -0.230 4.326 4.556 0.000 0.000 0.302 643 H C -0.718 174.527 175.328 -0.139 0.000 1.198 643 H CA 0.922 56.816 56.048 -0.257 0.000 1.145 643 H CB -1.729 27.613 29.762 -0.701 0.000 1.385 643 H HN 0.568 nan 8.280 nan 0.000 0.409 644 N N 0.859 119.567 118.700 0.013 0.000 2.437 644 N HA 0.391 5.131 4.740 0.000 0.000 0.259 644 N C -0.978 174.549 175.510 0.028 0.000 0.983 644 N CA -0.874 52.186 53.050 0.017 0.000 0.937 644 N CB 0.768 39.253 38.487 -0.005 0.000 1.122 644 N HN 0.299 nan 8.380 nan 0.000 0.499 645 L N 4.798 126.049 121.223 0.047 0.000 2.322 645 L HA 0.653 4.993 4.340 0.000 0.000 0.281 645 L C -1.090 175.799 176.870 0.031 0.000 1.014 645 L CA -0.507 54.365 54.840 0.054 0.000 0.815 645 L CB 1.005 43.120 42.059 0.094 0.000 1.247 645 L HN 0.532 nan 8.230 nan 0.000 0.421 646 I N 5.853 126.430 120.570 0.012 0.000 2.377 646 I HA 0.424 4.594 4.170 0.000 0.000 0.293 646 I C -0.791 175.350 176.117 0.040 0.000 0.987 646 I CA -0.525 60.758 61.300 -0.028 0.000 1.185 646 I CB 1.523 39.488 38.000 -0.058 0.000 1.341 646 I HN 0.494 nan 8.210 nan 0.000 0.455 647 L N 4.706 125.977 121.223 0.080 0.000 2.381 647 L HA 0.413 4.753 4.340 0.000 0.000 0.268 647 L C 0.355 177.349 176.870 0.207 0.000 0.997 647 L CA -0.771 54.182 54.840 0.188 0.000 0.818 647 L CB 1.870 44.131 42.059 0.336 0.000 1.310 647 L HN 0.620 nan 8.230 nan 0.000 0.416 648 S N 1.105 116.914 115.700 0.182 0.000 3.524 648 S HA -0.152 4.318 4.470 0.000 0.000 0.377 648 S C -0.127 174.599 174.600 0.211 0.000 0.949 648 S CA 0.604 58.925 58.200 0.200 0.000 1.264 648 S CB -0.975 62.370 63.200 0.241 0.000 0.918 648 S HN 0.706 nan 8.310 nan 0.000 0.517 649 S N 0.182 115.981 115.700 0.164 0.000 2.595 649 S HA 0.788 5.258 4.470 0.000 0.000 0.281 649 S C -1.029 173.691 174.600 0.200 0.000 1.117 649 S CA -0.768 57.525 58.200 0.156 0.000 0.873 649 S CB 1.868 65.079 63.200 0.018 0.000 1.108 649 S HN 0.473 nan 8.310 nan 0.000 0.477 650 Y N 0.220 120.546 120.300 0.044 0.000 2.406 650 Y HA 0.531 5.081 4.550 0.000 0.000 0.340 650 Y C 0.442 176.218 175.900 -0.207 0.000 0.975 650 Y CA 0.139 58.178 58.100 -0.103 0.000 1.056 650 Y CB 1.322 39.657 38.460 -0.208 0.000 1.210 650 Y HN 0.981 nan 8.280 nan 0.000 0.448 651 G N 5.482 113.690 108.800 -0.986 0.000 2.246 651 G HA2 -0.252 3.708 3.960 0.000 0.000 0.273 651 G HA3 -0.252 3.708 3.960 0.000 0.000 0.273 651 G C -0.387 174.246 174.900 -0.445 0.000 1.055 651 G CA 0.520 45.056 45.100 -0.940 0.000 0.851 651 G HN 1.176 nan 8.290 nan 0.000 0.500 652 I N -3.287 117.105 120.570 -0.297 0.000 2.646 652 I HA 0.771 4.941 4.170 0.000 0.000 0.299 652 I C -0.807 175.217 176.117 -0.156 0.000 1.036 652 I CA -1.531 59.652 61.300 -0.195 0.000 1.074 652 I CB 2.189 40.090 38.000 -0.165 0.000 1.258 652 I HN -0.094 nan 8.210 nan 0.000 0.430 653 N N 3.640 122.265 118.700 -0.124 0.000 2.399 653 N HA 0.454 5.194 4.740 0.000 0.000 0.280 653 N C -0.850 174.610 175.510 -0.083 0.000 1.008 653 N CA -0.401 52.591 53.050 -0.097 0.000 0.894 653 N CB 2.227 40.664 38.487 -0.083 0.000 1.273 653 N HN 0.867 nan 8.380 nan 0.000 0.486 654 T N -2.557 111.952 114.554 -0.075 0.000 2.912 654 T HA 0.630 4.980 4.350 0.000 0.000 0.288 654 T C 0.749 175.423 174.700 -0.043 0.000 1.030 654 T CA -0.622 61.439 62.100 -0.064 0.000 1.020 654 T CB 1.753 70.575 68.868 -0.076 0.000 1.056 654 T HN 0.456 nan 8.240 nan 0.000 0.480 655 T N -2.190 112.346 114.554 -0.030 0.000 3.130 655 T HA 0.407 4.757 4.350 0.000 0.000 0.288 655 T C 0.962 175.658 174.700 -0.006 0.000 0.936 655 T CA -0.036 62.053 62.100 -0.018 0.000 0.897 655 T CB -0.226 68.633 68.868 -0.015 0.000 1.178 655 T HN 1.008 nan 8.240 nan 0.000 0.543 656 G N 1.145 109.943 108.800 -0.004 0.000 2.503 656 G HA2 0.475 4.435 3.960 0.000 0.000 0.257 656 G HA3 0.475 4.435 3.960 0.000 0.000 0.257 656 G C -0.430 174.483 174.900 0.020 0.000 1.214 656 G CA -0.420 44.689 45.100 0.015 0.000 0.839 656 G HN 0.321 nan 8.290 nan 0.000 0.559 657 S N 0.252 115.980 115.700 0.047 0.000 2.513 657 S HA 0.310 4.780 4.470 0.000 0.000 0.276 657 S C -0.585 174.103 174.600 0.146 0.000 1.254 657 S CA -0.199 58.031 58.200 0.050 0.000 1.053 657 S CB 0.246 63.524 63.200 0.130 0.000 0.958 657 S HN 0.532 nan 8.310 nan 0.000 0.491 658 Y N 0.553 120.867 120.300 0.023 0.000 3.168 658 Y HA -0.227 4.323 4.550 0.000 0.000 0.207 658 Y C 0.297 176.215 175.900 0.029 0.000 1.280 658 Y CA 0.402 58.503 58.100 0.002 0.000 1.235 658 Y CB -1.437 36.970 38.460 -0.088 0.000 1.370 658 Y HN 0.417 nan 8.280 nan 0.000 0.537 659 K N 0.095 120.570 120.400 0.124 0.000 2.378 659 K HA 0.757 5.077 4.320 0.000 0.000 0.252 659 K C -0.456 176.208 176.600 0.106 0.000 0.931 659 K CA -1.071 55.283 56.287 0.111 0.000 0.794 659 K CB 2.723 35.266 32.500 0.072 0.000 1.181 659 K HN -0.063 nan 8.250 nan 0.000 0.425 660 V N 2.912 122.918 119.914 0.155 0.000 2.439 660 V HA 0.345 4.465 4.120 0.000 0.000 0.282 660 V C -0.008 176.167 176.094 0.135 0.000 1.039 660 V CA -0.797 61.619 62.300 0.192 0.000 0.913 660 V CB 1.121 33.133 31.823 0.315 0.000 0.983 660 V HN 0.667 nan 8.190 nan 0.000 0.460 661 N N 2.308 120.917 118.700 -0.152 0.000 2.312 661 N HA 0.773 5.513 4.740 0.000 0.000 0.296 661 N C -0.267 174.512 175.510 -1.218 0.000 1.193 661 N CA -0.276 52.400 53.050 -0.623 0.000 0.773 661 N CB 2.784 41.065 38.487 -0.345 0.000 1.435 661 N HN 0.863 nan 8.380 nan 0.000 0.484 662 G N -1.393 106.216 108.800 -1.985 0.000 2.660 662 G HA2 0.777 4.737 3.960 0.000 0.000 0.294 662 G HA3 0.777 4.737 3.960 0.000 0.000 0.294 662 G C -0.910 173.507 174.900 -0.806 0.000 1.369 662 G CA -0.589 43.717 45.100 -1.324 0.000 0.912 662 G HN 0.699 nan 8.290 nan 0.000 0.479 663 G N -1.554 107.082 108.800 -0.272 0.000 2.430 663 G HA2 0.578 4.538 3.960 0.000 0.000 0.300 663 G HA3 0.578 4.538 3.960 0.000 0.000 0.300 663 G C -2.265 172.730 174.900 0.159 0.000 1.330 663 G CA -0.600 44.463 45.100 -0.062 0.000 0.813 663 G HN 1.187 nan 8.290 nan 0.000 0.487 664 F N 1.016 120.978 119.950 0.019 0.000 2.941 664 F HA 0.443 4.970 4.527 0.000 0.000 0.359 664 F C 0.926 176.778 175.800 0.088 0.000 1.231 664 F CA -0.202 57.864 58.000 0.110 0.000 1.089 664 F CB 0.894 39.974 39.000 0.132 0.000 1.407 664 F HN 0.844 nan 8.300 nan 0.000 0.538 665 E N 1.820 121.895 120.200 -0.207 0.000 4.205 665 E HA -0.294 4.056 4.350 0.000 0.000 0.310 665 E C -0.511 176.038 176.600 -0.086 0.000 0.654 665 E CA 1.613 57.907 56.400 -0.177 0.000 1.279 665 E CB -0.815 28.832 29.700 -0.088 0.000 1.720 665 E HN 0.657 nan 8.360 nan 0.000 0.403 666 K N 0.174 120.560 120.400 -0.024 0.000 2.536 666 K HA 0.642 4.962 4.320 0.000 0.000 0.269 666 K C -0.520 176.060 176.600 -0.032 0.000 0.965 666 K CA -0.928 55.344 56.287 -0.026 0.000 0.860 666 K CB 1.613 34.118 32.500 0.009 0.000 1.423 666 K HN -0.057 nan 8.250 nan 0.000 0.438 667 I N 2.040 122.573 120.570 -0.062 0.000 2.668 667 I HA -0.064 4.106 4.170 0.000 0.000 0.285 667 I C 0.501 176.584 176.117 -0.056 0.000 1.168 667 I CA 0.265 61.504 61.300 -0.102 0.000 1.424 667 I CB 0.106 38.043 38.000 -0.105 0.000 1.377 667 I HN 0.730 nan 8.210 nan 0.000 0.560 668 N N 5.706 124.352 118.700 -0.090 0.000 2.257 668 N HA 0.167 4.907 4.740 0.000 0.000 0.200 668 N C -0.887 174.718 175.510 0.158 0.000 1.163 668 N CA -0.283 52.792 53.050 0.041 0.000 0.891 668 N CB 0.659 39.215 38.487 0.114 0.000 1.067 668 N HN 0.643 nan 8.380 nan 0.000 0.497 669 W N 0.496 121.828 121.300 0.054 0.000 3.137 669 W HA 0.576 5.236 4.660 0.000 0.000 0.324 669 W C -1.912 174.634 176.519 0.045 0.000 1.253 669 W CA -0.567 56.806 57.345 0.048 0.000 1.183 669 W CB 0.897 30.388 29.460 0.052 0.000 1.424 669 W HN -0.291 nan 8.180 nan 0.000 0.566 670 E N 1.895 122.378 120.200 0.471 0.000 2.304 670 E HA 0.501 4.851 4.350 0.000 0.000 0.277 670 E C -1.913 174.901 176.600 0.358 0.000 0.898 670 E CA -0.706 55.896 56.400 0.337 0.000 0.764 670 E CB 2.451 32.236 29.700 0.141 0.000 1.216 670 E HN 0.543 nan 8.360 nan 0.000 0.419 671 L N 3.695 125.130 121.223 0.353 0.000 2.276 671 L HA 0.398 4.738 4.340 0.000 0.000 0.286 671 L C -0.518 176.448 176.870 0.159 0.000 1.024 671 L CA -0.852 54.117 54.840 0.215 0.000 0.826 671 L CB 1.202 43.379 42.059 0.197 0.000 1.211 671 L HN 0.481 nan 8.230 nan 0.000 0.422 672 D N 1.506 121.975 120.400 0.115 0.000 2.467 672 D HA 0.169 4.809 4.640 0.000 0.000 0.220 672 D C 0.806 177.149 176.300 0.071 0.000 1.103 672 D CA -0.182 53.875 54.000 0.094 0.000 0.886 672 D CB 1.426 42.270 40.800 0.074 0.000 1.025 672 D HN 0.359 nan 8.370 nan 0.000 0.514 673 S N 2.599 118.350 115.700 0.087 0.000 2.423 673 S HA -0.134 4.336 4.470 0.000 0.000 0.231 673 S C 1.641 176.227 174.600 -0.023 0.000 1.014 673 S CA 0.191 58.419 58.200 0.046 0.000 0.965 673 S CB 0.030 63.281 63.200 0.085 0.000 0.785 673 S HN 0.535 nan 8.310 nan 0.000 0.495 674 L N 2.332 123.553 121.223 -0.003 0.000 2.027 674 L HA 0.075 4.415 4.340 0.000 0.000 0.206 674 L C 1.288 178.120 176.870 -0.063 0.000 1.074 674 L CA 1.779 56.570 54.840 -0.082 0.000 0.745 674 L CB -0.425 41.631 42.059 -0.004 0.000 0.898 674 L HN 0.176 nan 8.230 nan 0.000 0.433 675 N N -0.737 117.953 118.700 -0.017 0.000 2.220 675 N HA 0.172 4.912 4.740 0.000 0.000 0.195 675 N C 0.913 176.419 175.510 -0.006 0.000 1.123 675 N CA 0.815 53.858 53.050 -0.013 0.000 0.874 675 N CB 0.604 39.093 38.487 0.003 0.000 0.995 675 N HN 0.392 nan 8.380 nan 0.000 0.498 676 G N 1.875 110.675 108.800 0.001 0.000 2.272 676 G HA2 -0.300 3.660 3.960 0.000 0.000 0.280 676 G HA3 -0.300 3.660 3.960 0.000 0.000 0.280 676 G C -0.189 174.722 174.900 0.018 0.000 1.067 676 G CA -0.019 45.085 45.100 0.006 0.000 0.902 676 G HN 0.281 nan 8.290 nan 0.000 0.500 677 R N -1.052 119.466 120.500 0.031 0.000 2.589 677 R HA 0.759 5.099 4.340 0.000 0.000 0.293 677 R C 0.096 176.430 176.300 0.058 0.000 0.963 677 R CA -0.822 55.302 56.100 0.039 0.000 0.905 677 R CB 1.541 31.864 30.300 0.039 0.000 1.144 677 R HN 0.251 nan 8.270 nan 0.000 0.459 678 I N 2.318 122.922 120.570 0.057 0.000 2.406 678 I HA 0.364 4.534 4.170 0.000 0.000 0.290 678 I C -0.537 175.631 176.117 0.084 0.000 0.999 678 I CA -0.633 60.713 61.300 0.077 0.000 1.124 678 I CB 1.819 39.852 38.000 0.054 0.000 1.289 678 I HN 0.336 nan 8.210 nan 0.000 0.441 679 K N 5.120 125.592 120.400 0.121 0.000 2.443 679 K HA 0.818 5.138 4.320 0.000 0.000 0.252 679 K C -1.135 175.564 176.600 0.165 0.000 0.933 679 K CA -0.643 55.714 56.287 0.118 0.000 0.792 679 K CB 2.694 35.255 32.500 0.102 0.000 1.185 679 K HN 0.644 nan 8.250 nan 0.000 0.425 680 A N 1.904 124.803 122.820 0.132 0.000 2.355 680 A HA 0.394 4.714 4.320 0.000 0.000 0.324 680 A C 0.749 178.402 177.584 0.114 0.000 1.117 680 A CA -0.685 51.445 52.037 0.155 0.000 0.785 680 A CB 1.401 20.474 19.000 0.121 0.000 1.254 680 A HN 0.953 nan 8.150 nan 0.000 0.453 681 R N 0.313 120.884 120.500 0.119 0.000 2.073 681 R HA -0.133 4.207 4.340 0.000 0.000 0.234 681 R C 0.908 177.249 176.300 0.068 0.000 1.134 681 R CA 2.342 58.491 56.100 0.083 0.000 0.952 681 R CB -0.080 30.269 30.300 0.081 0.000 0.850 681 R HN 0.905 nan 8.270 nan 0.000 0.433 682 D N -0.750 119.694 120.400 0.074 0.000 2.432 682 D HA 0.015 4.655 4.640 0.000 0.000 0.270 682 D C -0.225 176.102 176.300 0.044 0.000 1.256 682 D CA 1.117 55.148 54.000 0.052 0.000 1.022 682 D CB 0.187 41.015 40.800 0.047 0.000 0.916 682 D HN 0.212 nan 8.370 nan 0.000 0.253 683 T N -0.955 113.620 114.554 0.036 0.000 2.918 683 T HA 0.604 4.954 4.350 0.000 0.000 0.286 683 T C -0.219 174.496 174.700 0.026 0.000 1.026 683 T CA -0.860 61.254 62.100 0.024 0.000 1.031 683 T CB 1.615 70.486 68.868 0.006 0.000 1.046 683 T HN 0.233 nan 8.240 nan 0.000 0.479 684 V N -0.009 119.917 119.914 0.020 0.000 2.409 684 V HA 0.893 5.013 4.120 0.000 0.000 0.291 684 V C -0.212 175.884 176.094 0.004 0.000 1.020 684 V CA -0.588 61.721 62.300 0.016 0.000 0.848 684 V CB 0.553 32.390 31.823 0.024 0.000 0.990 684 V HN 1.343 nan 8.190 nan 0.000 0.430 685 T N 1.538 116.090 114.554 -0.003 0.000 2.900 685 T HA 0.867 5.217 4.350 0.000 0.000 0.303 685 T C 0.176 174.871 174.700 -0.008 0.000 1.142 685 T CA -0.059 62.032 62.100 -0.014 0.000 1.007 685 T CB 1.631 70.477 68.868 -0.037 0.000 1.156 685 T HN 1.246 nan 8.240 nan 0.000 0.490 686 G N -0.830 107.966 108.800 -0.007 0.000 2.642 686 G HA2 0.583 4.543 3.960 0.000 0.000 0.291 686 G HA3 0.583 4.543 3.960 0.000 0.000 0.291 686 G C 0.961 175.852 174.900 -0.015 0.000 1.345 686 G CA -0.499 44.603 45.100 0.005 0.000 1.043 686 G HN 2.054 nan 8.290 nan 0.000 0.528 687 G N -0.921 107.879 108.800 -0.000 0.000 2.225 687 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 687 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 687 G C 0.299 175.167 174.900 -0.054 0.000 1.024 687 G CA 0.320 45.411 45.100 -0.014 0.000 0.784 687 G HN 0.618 nan 8.290 nan 0.000 0.507 688 N N -0.244 118.407 118.700 -0.082 0.000 2.515 688 N HA 0.579 5.319 4.740 0.000 0.000 0.279 688 N C -0.102 175.277 175.510 -0.218 0.000 1.164 688 N CA 0.420 53.309 53.050 -0.270 0.000 0.982 688 N CB 1.579 39.744 38.487 -0.536 0.000 1.170 688 N HN 0.222 nan 8.380 nan 0.000 0.474 689 T N -0.146 114.203 114.554 -0.342 0.000 2.901 689 T HA 0.409 4.759 4.350 0.000 0.000 0.293 689 T C -1.093 173.439 174.700 -0.280 0.000 1.084 689 T CA -0.546 61.499 62.100 -0.091 0.000 1.008 689 T CB 0.758 69.627 68.868 0.001 0.000 1.170 689 T HN 0.375 nan 8.240 nan 0.000 0.509 690 W N 3.897 125.190 121.300 -0.012 0.000 1.864 690 W HA 0.475 5.135 4.660 0.000 0.000 0.296 690 W C 0.261 176.774 176.519 -0.010 0.000 0.794 690 W CA -0.622 56.715 57.345 -0.012 0.000 2.180 690 W CB -0.202 29.250 29.460 -0.013 0.000 2.332 690 W HN 0.821 nan 8.180 nan 0.000 0.417 691 S N 0.000 115.736 115.700 0.060 0.000 2.498 691 S HA 0.000 4.470 4.470 0.000 0.000 0.327 691 S CA 0.000 58.224 58.200 0.040 0.000 1.107 691 S CB 0.000 63.230 63.200 0.050 0.000 0.593 691 S HN 0.000 nan 8.310 nan 0.000 0.517