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 3gq9_1_A DATA FIRST_RESID 88 DATA SEQUENCE HFADLVIQVI DELKQFGVSV KTYGAKGDGV TDDIRAFEKA IESGFPVYVP DATA SEQUENCE YGTFMVSRGI KLPSNTVLTG AGKRNAVIRF MDSVGRGESL MYNENVTTGN DATA SEQUENCE ENIFLSSFTL DGNNKRLGQG ISGIGGSRES NLSIRACHNV YIRDIEAVDC DATA SEQUENCE TLHGIDITCG GLDYPYLGDG TTAPNPSENI WIENCEATGF GDDGITTHHS DATA SEQUENCE QYINILNCYS HDPRLTANCN GFEIDDGSRH VVLSNNRSKG CYGGIEIKAH DATA SEQUENCE GDAPAAYNIS INGHMSVEDV RSYNFRHIGH HAATAPQSVS AKNIVASNLV DATA SEQUENCE SIRPNNKRGF QDNATPRVLA VSAYYGVVIN GLTGYTDDPN LLTETVVSVQ DATA SEQUENCE FRARNCSLNG VVLTGFSNSE NGIYVIGGSR GGDAVNISNV TLNNSGRYGV DATA SEQUENCE SIGSGIENVS ITNISGIGDG INSPVALVST INSNPEISGL SSIGYPTVAR DATA SEQUENCE VAGTDYNDGL TLFNGAFRAS TTSSGKIHSE GFIMGSTSGC EASVSKSGVL DATA SEQUENCE TSSSSKTSSE RSLIAGSSTS EAKGTYNTIL GSLGAVADEQ FAALISASQS DATA SEQUENCE RASGNHNLIL SSYGINTTGS YKVNGGFEKI NWELDSLNGR IKARDTVTGG DATA SEQUENCE NTWS 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 88 H HA 0.000 nan 4.556 nan 0.000 0.296 88 H C 0.000 175.386 175.328 0.097 0.000 0.993 88 H CA 0.000 56.090 56.048 0.069 0.000 1.023 88 H CB 0.000 29.805 29.762 0.071 0.000 1.292 89 F N 2.788 122.824 119.950 0.143 0.000 2.102 89 F HA 0.057 4.584 4.527 0.000 0.000 0.298 89 F C 2.356 178.183 175.800 0.044 0.000 1.105 89 F CA 2.265 60.312 58.000 0.078 0.000 1.239 89 F CB -0.558 38.475 39.000 0.054 0.000 0.991 89 F HN 0.138 nan 8.300 nan 0.000 0.474 90 A N 0.385 123.128 122.820 -0.128 0.000 1.917 90 A HA -0.245 4.075 4.320 0.000 0.000 0.219 90 A C 1.994 179.449 177.584 -0.215 0.000 1.182 90 A CA 2.164 54.061 52.037 -0.234 0.000 0.633 90 A CB -1.209 17.768 19.000 -0.038 0.000 0.819 90 A HN 0.485 nan 8.150 nan 0.000 0.448 91 D N -0.068 120.250 120.400 -0.136 0.000 2.123 91 D HA -0.137 4.503 4.640 0.000 0.000 0.196 91 D C 1.926 178.142 176.300 -0.141 0.000 0.992 91 D CA 1.038 54.956 54.000 -0.136 0.000 0.833 91 D CB -0.331 40.368 40.800 -0.167 0.000 0.954 91 D HN 0.457 nan 8.370 nan 0.000 0.455 92 L N 0.197 121.334 121.223 -0.143 0.000 2.056 92 L HA -0.134 4.206 4.340 0.000 0.000 0.207 92 L C 2.503 179.258 176.870 -0.191 0.000 1.078 92 L CA 0.587 55.352 54.840 -0.126 0.000 0.749 92 L CB -0.314 41.712 42.059 -0.055 0.000 0.901 92 L HN -0.029 nan 8.230 nan 0.000 0.433 93 V N 0.382 120.086 119.914 -0.350 0.000 2.287 93 V HA -0.330 3.790 4.120 0.000 0.000 0.248 93 V C 2.348 178.333 176.094 -0.180 0.000 1.053 93 V CA 1.945 64.055 62.300 -0.316 0.000 1.027 93 V CB -0.369 31.165 31.823 -0.482 0.000 0.646 93 V HN 0.316 nan 8.190 nan 0.000 0.447 94 I N -0.404 120.066 120.570 -0.165 0.000 2.163 94 I HA -0.359 3.811 4.170 0.000 0.000 0.243 94 I C 2.730 178.790 176.117 -0.095 0.000 1.085 94 I CA 1.767 63.004 61.300 -0.105 0.000 1.347 94 I CB -0.452 37.492 38.000 -0.092 0.000 1.044 94 I HN 0.387 nan 8.210 nan 0.000 0.408 95 Q N -0.015 119.722 119.800 -0.104 0.000 2.112 95 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 95 Q C 2.386 178.336 176.000 -0.083 0.000 0.987 95 Q CA 1.768 57.515 55.803 -0.093 0.000 0.858 95 Q CB -0.174 28.514 28.738 -0.083 0.000 0.905 95 Q HN 0.416 nan 8.270 nan 0.000 0.420 96 V N 0.766 120.632 119.914 -0.080 0.000 2.307 96 V HA -0.265 3.855 4.120 0.000 0.000 0.245 96 V C 2.114 178.172 176.094 -0.061 0.000 1.045 96 V CA 1.630 63.891 62.300 -0.065 0.000 1.024 96 V CB -0.488 31.299 31.823 -0.061 0.000 0.651 96 V HN 0.338 nan 8.190 nan 0.000 0.449 97 I N 0.253 120.787 120.570 -0.060 0.000 2.127 97 I HA -0.264 3.906 4.170 0.000 0.000 0.241 97 I C 2.370 178.463 176.117 -0.039 0.000 1.075 97 I CA 1.809 63.086 61.300 -0.039 0.000 1.334 97 I CB -0.646 37.342 38.000 -0.021 0.000 1.040 97 I HN 0.301 nan 8.210 nan 0.000 0.405 98 D N 0.602 120.969 120.400 -0.055 0.000 2.126 98 D HA -0.267 4.373 4.640 0.000 0.000 0.190 98 D C 2.037 178.276 176.300 -0.102 0.000 1.001 98 D CA 1.581 55.536 54.000 -0.077 0.000 0.841 98 D CB -0.375 40.356 40.800 -0.115 0.000 0.949 98 D HN 0.331 nan 8.370 nan 0.000 0.446 99 E N 0.340 120.481 120.200 -0.099 0.000 2.204 99 E HA -0.083 4.267 4.350 0.000 0.000 0.195 99 E C 2.129 178.673 176.600 -0.093 0.000 0.990 99 E CA 0.363 56.702 56.400 -0.102 0.000 0.821 99 E CB -0.327 29.327 29.700 -0.076 0.000 0.750 99 E HN 0.257 nan 8.360 nan 0.000 0.477 100 L N 0.480 121.657 121.223 -0.078 0.000 2.191 100 L HA -0.097 4.244 4.340 0.000 0.000 0.212 100 L C 0.516 177.331 176.870 -0.091 0.000 1.103 100 L CA 1.061 55.855 54.840 -0.076 0.000 0.769 100 L CB -0.282 41.735 42.059 -0.070 0.000 0.908 100 L HN 0.174 nan 8.230 nan 0.000 0.438 101 K N 0.366 120.710 120.400 -0.093 0.000 3.278 101 K HA -0.272 4.048 4.320 0.000 0.000 0.270 101 K C 0.908 177.449 176.600 -0.099 0.000 0.955 101 K CA 0.159 56.390 56.287 -0.094 0.000 0.723 101 K CB -1.109 31.301 32.500 -0.149 0.000 1.382 101 K HN 0.509 nan 8.250 nan 0.000 0.461 102 Q N -0.678 119.037 119.800 -0.142 0.000 2.167 102 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 102 Q C 1.044 176.751 176.000 -0.488 0.000 0.970 102 Q CA 1.468 57.061 55.803 -0.349 0.000 0.855 102 Q CB 0.013 28.448 28.738 -0.505 0.000 0.911 102 Q HN 0.546 nan 8.270 nan 0.000 0.438 103 F N -1.149 118.672 119.950 -0.215 0.000 2.678 103 F HA 0.330 4.857 4.527 0.000 0.000 0.305 103 F C 1.237 176.973 175.800 -0.107 0.000 1.090 103 F CA 0.321 58.152 58.000 -0.283 0.000 1.272 103 F CB 1.031 39.594 39.000 -0.728 0.000 1.060 103 F HN 0.095 nan 8.300 nan 0.000 0.576 104 G N 0.555 109.410 108.800 0.092 0.000 2.460 104 G HA2 -0.010 3.950 3.960 0.000 0.000 0.207 104 G HA3 -0.010 3.950 3.960 0.000 0.000 0.207 104 G C -1.074 173.858 174.900 0.052 0.000 1.170 104 G CA -0.569 44.591 45.100 0.100 0.000 1.151 104 G HN 0.518 nan 8.290 nan 0.000 0.575 105 V N -1.677 118.286 119.914 0.080 0.000 2.417 105 V HA 0.817 4.937 4.120 0.000 0.000 0.291 105 V C 0.617 176.788 176.094 0.128 0.000 1.024 105 V CA 0.336 62.677 62.300 0.069 0.000 0.861 105 V CB 1.078 32.962 31.823 0.103 0.000 0.985 105 V HN 1.927 nan 8.190 nan 0.000 0.436 106 S N 3.214 118.987 115.700 0.122 0.000 2.564 106 S HA 0.225 4.695 4.470 0.000 0.000 0.278 106 S C 1.300 175.901 174.600 0.003 0.000 1.333 106 S CA -0.080 58.162 58.200 0.070 0.000 1.048 106 S CB 1.346 64.600 63.200 0.091 0.000 0.900 106 S HN 1.775 nan 8.310 nan 0.000 0.505 107 V N 3.898 123.681 119.914 -0.218 0.000 2.594 107 V HA -0.104 4.016 4.120 0.000 0.000 0.253 107 V C 2.093 178.142 176.094 -0.075 0.000 1.069 107 V CA 1.532 63.645 62.300 -0.312 0.000 1.082 107 V CB -0.922 30.328 31.823 -0.955 0.000 0.680 107 V HN 0.876 nan 8.190 nan 0.000 0.469 108 K N 0.553 120.936 120.400 -0.029 0.000 2.209 108 K HA -0.100 4.220 4.320 0.000 0.000 0.204 108 K C 2.211 178.816 176.600 0.008 0.000 1.048 108 K CA 1.734 58.049 56.287 0.047 0.000 0.940 108 K CB -0.534 32.010 32.500 0.074 0.000 0.729 108 K HN 0.584 nan 8.250 nan 0.000 0.451 109 T N 0.372 114.912 114.554 -0.023 0.000 2.881 109 T HA -0.139 4.211 4.350 0.000 0.000 0.270 109 T C 0.971 175.491 174.700 -0.301 0.000 1.068 109 T CA 1.238 63.237 62.100 -0.169 0.000 1.131 109 T CB -0.168 68.561 68.868 -0.232 0.000 0.871 109 T HN 0.250 nan 8.240 nan 0.000 0.479 110 Y N 0.216 120.483 120.300 -0.054 0.000 2.493 110 Y HA 0.449 4.999 4.550 0.000 0.000 0.275 110 Y C 1.724 177.615 175.900 -0.015 0.000 1.183 110 Y CA -0.286 57.792 58.100 -0.036 0.000 1.258 110 Y CB 0.249 38.680 38.460 -0.049 0.000 1.108 110 Y HN 0.279 nan 8.280 nan 0.000 0.521 111 G N -0.429 108.417 108.800 0.077 0.000 2.168 111 G HA2 -0.138 3.822 3.960 0.000 0.000 0.197 111 G HA3 -0.138 3.822 3.960 0.000 0.000 0.197 111 G C 0.282 175.238 174.900 0.092 0.000 0.997 111 G CA -0.354 44.785 45.100 0.065 0.000 0.658 111 G HN 0.541 nan 8.290 nan 0.000 0.513 112 A N 0.229 123.123 122.820 0.122 0.000 2.477 112 A HA 0.629 4.949 4.320 0.000 0.000 0.246 112 A C 1.401 179.088 177.584 0.172 0.000 1.078 112 A CA 0.888 53.050 52.037 0.208 0.000 0.770 112 A CB 0.474 19.636 19.000 0.269 0.000 1.011 112 A HN 0.155 nan 8.150 nan 0.000 0.494 113 K N 1.962 122.428 120.400 0.109 0.000 2.244 113 K HA 0.124 4.444 4.320 0.000 0.000 0.200 113 K C 1.275 177.746 176.600 -0.216 0.000 1.052 113 K CA 0.931 57.208 56.287 -0.017 0.000 0.980 113 K CB -0.307 32.176 32.500 -0.028 0.000 0.838 113 K HN 1.623 nan 8.250 nan 0.000 0.481 114 G N 4.116 112.638 108.800 -0.464 0.000 2.323 114 G HA2 -0.236 3.724 3.960 0.000 0.000 0.292 114 G HA3 -0.236 3.724 3.960 0.000 0.000 0.292 114 G C -0.053 174.430 174.900 -0.694 0.000 1.040 114 G CA 0.901 45.228 45.100 -1.288 0.000 0.942 114 G HN 0.460 nan 8.290 nan 0.000 0.506 115 D N -1.597 118.584 120.400 -0.366 0.000 2.395 115 D HA 0.383 5.023 4.640 0.000 0.000 0.213 115 D C 1.741 177.944 176.300 -0.162 0.000 1.110 115 D CA 0.297 54.166 54.000 -0.218 0.000 0.835 115 D CB -0.330 40.398 40.800 -0.121 0.000 0.965 115 D HN 1.418 nan 8.370 nan 0.000 0.505 116 G N -0.531 108.157 108.800 -0.186 0.000 2.184 116 G HA2 -0.316 3.644 3.960 0.000 0.000 0.264 116 G HA3 -0.316 3.644 3.960 0.000 0.000 0.264 116 G C 0.777 175.641 174.900 -0.060 0.000 0.975 116 G CA 0.653 45.687 45.100 -0.109 0.000 0.642 116 G HN 0.411 nan 8.290 nan 0.000 0.536 117 V N -0.722 119.158 119.914 -0.057 0.000 3.177 117 V HA 0.205 4.325 4.120 0.000 0.000 0.219 117 V C 1.553 177.639 176.094 -0.015 0.000 1.344 117 V CA 1.338 63.622 62.300 -0.027 0.000 1.324 117 V CB -0.002 31.807 31.823 -0.023 0.000 1.165 117 V HN 0.309 nan 8.190 nan 0.000 0.510 118 T N 2.211 116.754 114.554 -0.019 0.000 2.916 118 T HA 0.105 4.455 4.350 0.000 0.000 0.303 118 T C -0.261 174.453 174.700 0.024 0.000 1.025 118 T CA 0.327 62.429 62.100 0.004 0.000 1.142 118 T CB 0.544 69.415 68.868 0.005 0.000 0.947 118 T HN 0.315 nan 8.240 nan 0.000 0.544 119 D N 1.857 122.278 120.400 0.036 0.000 2.346 119 D HA 0.042 4.682 4.640 0.000 0.000 0.260 119 D C 0.193 176.545 176.300 0.086 0.000 1.252 119 D CA -0.281 53.750 54.000 0.053 0.000 0.895 119 D CB 0.488 41.315 40.800 0.044 0.000 1.097 119 D HN 0.332 nan 8.370 nan 0.000 0.489 120 D N 3.636 124.111 120.400 0.126 0.000 2.363 120 D HA -0.014 4.626 4.640 0.000 0.000 0.214 120 D C 1.734 178.192 176.300 0.263 0.000 1.093 120 D CA -0.273 53.868 54.000 0.234 0.000 0.837 120 D CB 0.283 41.336 40.800 0.421 0.000 0.948 120 D HN 0.419 nan 8.370 nan 0.000 0.507 121 I N 1.234 121.882 120.570 0.130 0.000 2.208 121 I HA -0.259 3.911 4.170 0.000 0.000 0.245 121 I C 1.987 178.186 176.117 0.136 0.000 1.097 121 I CA 1.514 62.870 61.300 0.094 0.000 1.363 121 I CB 0.152 38.174 38.000 0.038 0.000 1.051 121 I HN -0.184 nan 8.210 nan 0.000 0.413 122 R N 0.739 121.307 120.500 0.113 0.000 2.096 122 R HA -0.036 4.304 4.340 0.000 0.000 0.235 122 R C 2.249 178.609 176.300 0.101 0.000 1.127 122 R CA 1.376 57.530 56.100 0.091 0.000 0.968 122 R CB -1.375 28.970 30.300 0.076 0.000 0.861 122 R HN 0.520 nan 8.270 nan 0.000 0.440 123 A N 0.300 123.206 122.820 0.142 0.000 1.902 123 A HA -0.135 4.185 4.320 0.000 0.000 0.217 123 A C 2.080 179.655 177.584 -0.015 0.000 1.181 123 A CA 1.130 53.233 52.037 0.112 0.000 0.623 123 A CB -0.643 18.434 19.000 0.129 0.000 0.818 123 A HN 0.184 nan 8.150 nan 0.000 0.443 124 F N 0.278 120.183 119.950 -0.075 0.000 2.102 124 F HA -0.141 4.386 4.527 0.000 0.000 0.298 124 F C 2.504 178.207 175.800 -0.161 0.000 1.105 124 F CA 1.979 59.892 58.000 -0.146 0.000 1.239 124 F CB -0.439 38.472 39.000 -0.150 0.000 0.991 124 F HN 0.310 nan 8.300 nan 0.000 0.474 125 E N 0.010 120.250 120.200 0.066 0.000 2.077 125 E HA -0.227 4.123 4.350 0.000 0.000 0.193 125 E C 2.129 178.670 176.600 -0.098 0.000 0.989 125 E CA 1.345 57.734 56.400 -0.018 0.000 0.800 125 E CB -0.184 29.515 29.700 -0.001 0.000 0.746 125 E HN 0.396 nan 8.360 nan 0.000 0.452 126 K N 0.496 120.821 120.400 -0.126 0.000 2.026 126 K HA -0.116 4.204 4.320 0.000 0.000 0.208 126 K C 2.233 178.466 176.600 -0.612 0.000 1.048 126 K CA 1.111 57.260 56.287 -0.229 0.000 0.929 126 K CB -0.161 32.305 32.500 -0.056 0.000 0.713 126 K HN 0.050 nan 8.250 nan 0.000 0.439 127 A N 1.352 123.666 122.820 -0.843 0.000 1.902 127 A HA -0.159 4.161 4.320 0.000 0.000 0.217 127 A C 2.119 179.465 177.584 -0.397 0.000 1.181 127 A CA 1.392 52.863 52.037 -0.944 0.000 0.623 127 A CB -0.589 18.037 19.000 -0.624 0.000 0.818 127 A HN 0.193 nan 8.150 nan 0.000 0.443 128 I N 0.248 120.666 120.570 -0.254 0.000 2.315 128 I HA -0.239 3.931 4.170 0.000 0.000 0.248 128 I C 2.452 178.506 176.117 -0.106 0.000 1.117 128 I CA 1.633 62.855 61.300 -0.129 0.000 1.404 128 I CB -0.292 37.660 38.000 -0.080 0.000 1.071 128 I HN 0.637 nan 8.210 nan 0.000 0.419 129 E N 0.744 120.870 120.200 -0.123 0.000 2.482 129 E HA -0.116 4.234 4.350 0.000 0.000 0.196 129 E C 1.862 178.416 176.600 -0.077 0.000 1.047 129 E CA 1.002 57.351 56.400 -0.085 0.000 0.869 129 E CB -0.151 29.509 29.700 -0.067 0.000 0.836 129 E HN 0.481 nan 8.360 nan 0.000 0.520 130 S N 0.072 115.721 115.700 -0.085 0.000 2.481 130 S HA 0.119 4.589 4.470 0.000 0.000 0.231 130 S C 1.833 176.348 174.600 -0.142 0.000 0.996 130 S CA 0.579 58.773 58.200 -0.010 0.000 0.942 130 S CB -0.173 63.134 63.200 0.179 0.000 0.768 130 S HN 0.603 nan 8.310 nan 0.000 0.520 131 G N 0.002 108.712 108.800 -0.150 0.000 2.195 131 G HA2 -0.229 3.731 3.960 0.000 0.000 0.246 131 G HA3 -0.229 3.731 3.960 0.000 0.000 0.246 131 G C -0.040 174.688 174.900 -0.287 0.000 0.984 131 G CA 0.138 45.090 45.100 -0.247 0.000 0.633 131 G HN 0.530 nan 8.290 nan 0.000 0.525 132 F N 1.519 121.478 119.950 0.015 0.000 2.377 132 F HA 0.567 5.094 4.527 0.000 0.000 0.328 132 F C -1.614 174.207 175.800 0.035 0.000 1.094 132 F CA -2.348 55.673 58.000 0.035 0.000 1.093 132 F CB 0.897 39.932 39.000 0.059 0.000 1.214 132 F HN -0.186 nan 8.300 nan 0.000 0.518 133 P HA 0.061 nan 4.420 nan 0.000 0.264 133 P C -0.958 176.450 177.300 0.181 0.000 1.193 133 P CA 0.024 63.239 63.100 0.192 0.000 0.763 133 P CB 0.506 32.312 31.700 0.177 0.000 0.810 134 V N 4.733 124.722 119.914 0.125 0.000 2.427 134 V HA 0.277 4.397 4.120 0.000 0.000 0.286 134 V C -0.453 175.694 176.094 0.089 0.000 1.034 134 V CA -0.457 61.877 62.300 0.055 0.000 0.893 134 V CB 0.888 32.673 31.823 -0.064 0.000 0.982 134 V HN 0.410 nan 8.190 nan 0.000 0.452 135 Y N 4.305 124.546 120.300 -0.098 0.000 2.377 135 Y HA 0.684 5.234 4.550 0.000 0.000 0.339 135 Y C -0.454 175.266 175.900 -0.300 0.000 1.011 135 Y CA -0.956 57.053 58.100 -0.151 0.000 1.093 135 Y CB 1.958 40.333 38.460 -0.141 0.000 1.201 135 Y HN 0.371 nan 8.280 nan 0.000 0.455 136 V N 9.091 128.431 119.914 -0.956 0.000 2.334 136 V HA 0.408 4.528 4.120 0.000 0.000 0.281 136 V C -2.162 173.251 176.094 -1.135 0.000 1.016 136 V CA -1.662 60.051 62.300 -0.979 0.000 0.832 136 V CB 0.935 32.301 31.823 -0.762 0.000 0.999 136 V HN 0.695 nan 8.190 nan 0.000 0.439 137 P HA 0.181 nan 4.420 nan 0.000 0.312 137 P C -0.575 176.747 177.300 0.037 0.000 1.308 137 P CA -0.659 62.196 63.100 -0.407 0.000 0.743 137 P CB 0.660 32.311 31.700 -0.082 0.000 1.364 138 Y N 0.153 120.487 120.300 0.057 0.000 2.811 138 Y HA 0.347 4.897 4.550 0.000 0.000 0.334 138 Y C 0.498 176.480 175.900 0.137 0.000 1.247 138 Y CA 1.845 60.008 58.100 0.105 0.000 1.526 138 Y CB -0.632 37.866 38.460 0.063 0.000 1.284 138 Y HN 0.828 nan 8.280 nan 0.000 0.586 139 G N 3.112 111.331 108.800 -0.969 0.000 2.353 139 G HA2 0.212 4.172 3.960 0.000 0.000 0.308 139 G HA3 0.212 4.172 3.960 0.000 0.000 0.308 139 G C -1.528 172.975 174.900 -0.662 0.000 1.418 139 G CA -0.720 43.689 45.100 -1.151 0.000 0.966 139 G HN 0.664 nan 8.290 nan 0.000 0.638 140 T N 1.359 115.526 114.554 -0.645 0.000 2.801 140 T HA 0.535 4.885 4.350 0.000 0.000 0.306 140 T C -0.734 173.734 174.700 -0.387 0.000 1.020 140 T CA 0.012 61.925 62.100 -0.312 0.000 0.948 140 T CB 0.186 68.944 68.868 -0.183 0.000 0.962 140 T HN 0.351 nan 8.240 nan 0.000 0.465 141 F N 4.251 124.154 119.950 -0.079 0.000 2.335 141 F HA 0.406 4.933 4.527 0.000 0.000 0.365 141 F C 0.660 176.397 175.800 -0.106 0.000 1.122 141 F CA -1.178 56.800 58.000 -0.038 0.000 1.151 141 F CB 0.582 39.639 39.000 0.095 0.000 1.282 141 F HN 0.206 nan 8.300 nan 0.000 0.513 142 M N 4.410 124.032 119.600 0.037 0.000 2.233 142 M HA 0.478 4.958 4.480 0.000 0.000 0.350 142 M C -0.225 176.079 176.300 0.007 0.000 1.176 142 M CA -0.613 54.695 55.300 0.013 0.000 1.150 142 M CB 1.057 33.665 32.600 0.012 0.000 1.530 142 M HN 0.357 nan 8.290 nan 0.000 0.459 143 V N 0.254 120.174 119.914 0.011 0.000 2.841 143 V HA 0.619 4.739 4.120 0.000 0.000 0.310 143 V C 0.433 176.613 176.094 0.144 0.000 1.090 143 V CA -0.577 61.735 62.300 0.021 0.000 0.930 143 V CB 1.639 33.390 31.823 -0.121 0.000 1.014 143 V HN 0.933 nan 8.190 nan 0.000 0.425 144 S N 2.389 118.150 115.700 0.101 0.000 2.575 144 S HA 0.303 4.773 4.470 0.000 0.000 0.215 144 S C 0.583 175.230 174.600 0.078 0.000 0.966 144 S CA 0.168 58.412 58.200 0.074 0.000 0.911 144 S CB -0.320 62.900 63.200 0.033 0.000 0.780 144 S HN 1.158 nan 8.310 nan 0.000 0.514 145 R N -1.046 119.559 120.500 0.176 0.000 2.733 145 R HA 0.655 4.995 4.340 0.000 0.000 0.272 145 R C -0.065 176.442 176.300 0.345 0.000 1.029 145 R CA -0.794 55.440 56.100 0.224 0.000 0.888 145 R CB 0.043 30.408 30.300 0.108 0.000 1.251 145 R HN 0.018 nan 8.270 nan 0.000 0.464 146 G N 1.059 110.089 108.800 0.384 0.000 2.491 146 G HA2 0.303 4.263 3.960 0.000 0.000 0.238 146 G HA3 0.303 4.263 3.960 0.000 0.000 0.238 146 G C -0.083 174.802 174.900 -0.025 0.000 1.277 146 G CA -0.739 44.524 45.100 0.271 0.000 0.851 146 G HN 0.436 nan 8.290 nan 0.000 0.573 147 I N 1.773 122.244 120.570 -0.164 0.000 2.322 147 I HA 0.138 4.308 4.170 0.000 0.000 0.292 147 I C 0.537 176.448 176.117 -0.343 0.000 1.060 147 I CA 0.011 61.175 61.300 -0.226 0.000 1.309 147 I CB 0.780 38.624 38.000 -0.260 0.000 1.415 147 I HN 0.247 nan 8.210 nan 0.000 0.492 148 K N 7.534 127.725 120.400 -0.349 0.000 2.183 148 K HA 0.568 4.888 4.320 0.000 0.000 0.274 148 K C -0.918 175.542 176.600 -0.234 0.000 1.009 148 K CA -0.570 55.444 56.287 -0.455 0.000 0.888 148 K CB 1.545 33.808 32.500 -0.395 0.000 1.078 148 K HN 0.493 nan 8.250 nan 0.000 0.459 149 L N 5.763 126.868 121.223 -0.197 0.000 2.287 149 L HA 0.425 4.765 4.340 0.000 0.000 0.287 149 L C -2.051 174.778 176.870 -0.067 0.000 1.022 149 L CA -2.139 52.644 54.840 -0.095 0.000 0.814 149 L CB 1.291 43.319 42.059 -0.052 0.000 1.217 149 L HN 0.429 nan 8.230 nan 0.000 0.420 150 P HA 0.221 nan 4.420 nan 0.000 0.282 150 P C -0.394 176.885 177.300 -0.035 0.000 1.287 150 P CA -0.543 62.533 63.100 -0.040 0.000 0.792 150 P CB 0.927 32.603 31.700 -0.040 0.000 1.163 151 S N 0.359 116.041 115.700 -0.029 0.000 2.576 151 S HA 0.028 4.498 4.470 0.000 0.000 0.272 151 S C 0.545 175.128 174.600 -0.028 0.000 1.352 151 S CA 0.022 58.203 58.200 -0.031 0.000 1.021 151 S CB -0.921 62.268 63.200 -0.020 0.000 0.887 151 S HN 0.548 nan 8.310 nan 0.000 0.542 152 N N 0.472 119.152 118.700 -0.034 0.000 2.725 152 N HA -0.139 4.601 4.740 0.000 0.000 0.251 152 N C -0.843 174.682 175.510 0.025 0.000 1.031 152 N CA 0.751 53.806 53.050 0.009 0.000 0.720 152 N CB -1.620 36.886 38.487 0.031 0.000 0.930 152 N HN 0.515 nan 8.380 nan 0.000 0.543 153 T N 0.418 114.967 114.554 -0.008 0.000 2.795 153 T HA 0.490 4.840 4.350 0.000 0.000 0.282 153 T C 0.481 175.255 174.700 0.123 0.000 0.980 153 T CA -0.416 61.705 62.100 0.036 0.000 1.012 153 T CB 2.376 71.246 68.868 0.003 0.000 0.936 153 T HN -0.048 nan 8.240 nan 0.000 0.457 154 V N 4.949 124.974 119.914 0.184 0.000 2.378 154 V HA 0.524 4.644 4.120 0.000 0.000 0.288 154 V C -0.699 175.508 176.094 0.189 0.000 1.016 154 V CA -0.784 61.672 62.300 0.260 0.000 0.840 154 V CB 1.333 33.309 31.823 0.255 0.000 0.994 154 V HN 0.636 nan 8.190 nan 0.000 0.431 155 L N 5.513 126.865 121.223 0.215 0.000 2.372 155 L HA 0.776 5.116 4.340 0.000 0.000 0.273 155 L C -0.215 176.829 176.870 0.290 0.000 0.989 155 L CA 0.460 55.408 54.840 0.180 0.000 0.841 155 L CB 2.031 44.164 42.059 0.124 0.000 1.225 155 L HN 0.685 nan 8.230 nan 0.000 0.414 156 T N 3.693 118.390 114.554 0.239 0.000 2.848 156 T HA 0.786 5.136 4.350 0.000 0.000 0.285 156 T C 0.104 174.924 174.700 0.201 0.000 0.995 156 T CA -0.364 61.919 62.100 0.305 0.000 0.970 156 T CB 1.622 70.683 68.868 0.321 0.000 0.976 156 T HN 0.753 nan 8.240 nan 0.000 0.441 157 G N 0.432 109.391 108.800 0.264 0.000 2.552 157 G HA2 0.591 4.551 3.960 0.000 0.000 0.318 157 G HA3 0.591 4.551 3.960 0.000 0.000 0.318 157 G C 0.874 175.810 174.900 0.060 0.000 1.240 157 G CA -0.438 44.673 45.100 0.018 0.000 1.002 157 G HN 0.791 nan 8.290 nan 0.000 0.493 158 A N -1.523 121.267 122.820 -0.050 0.000 2.168 158 A HA 0.548 4.868 4.320 0.000 0.000 0.215 158 A C 1.301 178.986 177.584 0.167 0.000 1.152 158 A CA 1.514 53.629 52.037 0.129 0.000 0.716 158 A CB -0.707 18.360 19.000 0.111 0.000 0.794 158 A HN 2.364 nan 8.150 nan 0.000 0.465 159 G N -1.104 107.792 108.800 0.160 0.000 2.340 159 G HA2 0.165 4.125 3.960 0.000 0.000 0.527 159 G HA3 0.165 4.125 3.960 0.000 0.000 0.527 159 G C -0.962 174.028 174.900 0.150 0.000 1.381 159 G CA -0.834 44.354 45.100 0.147 0.000 1.001 159 G HN 0.284 nan 8.290 nan 0.000 0.626 160 K N 0.679 121.150 120.400 0.118 0.000 2.485 160 K HA 0.293 4.613 4.320 0.000 0.000 0.277 160 K C 1.019 177.698 176.600 0.132 0.000 0.990 160 K CA 0.526 56.883 56.287 0.117 0.000 0.994 160 K CB 0.220 32.776 32.500 0.093 0.000 0.906 160 K HN 0.701 nan 8.250 nan 0.000 0.488 161 R N 0.373 120.955 120.500 0.137 0.000 3.741 161 R HA -0.293 4.047 4.340 0.000 0.000 0.292 161 R C 0.438 176.841 176.300 0.173 0.000 1.176 161 R CA 0.783 56.966 56.100 0.138 0.000 0.794 161 R CB -1.578 28.794 30.300 0.119 0.000 1.213 161 R HN 0.741 nan 8.270 nan 0.000 0.494 162 N N 0.021 118.837 118.700 0.193 0.000 3.326 162 N HA 0.143 4.883 4.740 0.000 0.000 0.234 162 N C -0.436 175.211 175.510 0.228 0.000 1.050 162 N CA 0.886 54.094 53.050 0.264 0.000 1.141 162 N CB 0.261 38.881 38.487 0.222 0.000 1.551 162 N HN 0.222 nan 8.380 nan 0.000 0.630 163 A N 2.082 125.013 122.820 0.185 0.000 2.347 163 A HA 0.568 4.888 4.320 0.000 0.000 0.287 163 A C -0.609 177.100 177.584 0.207 0.000 1.199 163 A CA -0.226 51.915 52.037 0.175 0.000 0.851 163 A CB 0.113 19.157 19.000 0.072 0.000 1.118 163 A HN 0.092 nan 8.150 nan 0.000 0.525 164 V N 4.698 124.738 119.914 0.209 0.000 2.540 164 V HA 0.432 4.552 4.120 0.000 0.000 0.302 164 V C -0.260 175.936 176.094 0.169 0.000 1.035 164 V CA -0.271 62.128 62.300 0.164 0.000 0.873 164 V CB 1.578 33.457 31.823 0.092 0.000 0.992 164 V HN 0.761 nan 8.190 nan 0.000 0.428 165 I N 4.820 125.436 120.570 0.078 0.000 2.433 165 I HA 0.677 4.847 4.170 0.000 0.000 0.292 165 I C -0.137 175.931 176.117 -0.081 0.000 1.001 165 I CA -0.530 60.737 61.300 -0.055 0.000 1.119 165 I CB 1.792 39.642 38.000 -0.250 0.000 1.289 165 I HN 0.562 nan 8.210 nan 0.000 0.438 166 R N 5.829 126.269 120.500 -0.100 0.000 2.548 166 R HA 0.445 4.785 4.340 0.000 0.000 0.280 166 R C -1.488 174.809 176.300 -0.006 0.000 1.061 166 R CA -0.599 55.469 56.100 -0.053 0.000 0.915 166 R CB 1.691 31.995 30.300 0.007 0.000 1.210 166 R HN 0.441 nan 8.270 nan 0.000 0.442 167 F N 4.274 124.208 119.950 -0.026 0.000 2.572 167 F HA 0.113 4.640 4.527 0.000 0.000 0.370 167 F C 1.102 176.889 175.800 -0.022 0.000 1.103 167 F CA -0.068 57.916 58.000 -0.026 0.000 1.286 167 F CB 0.836 39.829 39.000 -0.012 0.000 1.105 167 F HN 0.299 nan 8.300 nan 0.000 0.583 168 M N 3.285 123.014 119.600 0.215 0.000 2.240 168 M HA -0.035 4.445 4.480 0.000 0.000 0.333 168 M C 1.074 177.394 176.300 0.034 0.000 1.110 168 M CA -0.206 55.144 55.300 0.083 0.000 1.173 168 M CB 0.425 33.054 32.600 0.049 0.000 1.458 168 M HN 0.544 nan 8.290 nan 0.000 0.458 169 D N 0.326 120.736 120.400 0.017 0.000 2.228 169 D HA -0.129 4.511 4.640 0.000 0.000 0.203 169 D C 1.811 178.090 176.300 -0.034 0.000 0.988 169 D CA 1.773 55.771 54.000 -0.004 0.000 0.864 169 D CB -0.101 40.698 40.800 -0.002 0.000 0.928 169 D HN 0.686 nan 8.370 nan 0.000 0.469 170 S N -0.529 115.147 115.700 -0.040 0.000 2.558 170 S HA 0.050 4.520 4.470 0.000 0.000 0.217 170 S C 0.914 175.455 174.600 -0.098 0.000 0.975 170 S CA -0.386 57.782 58.200 -0.055 0.000 0.912 170 S CB -0.013 63.166 63.200 -0.036 0.000 0.776 170 S HN -0.083 nan 8.310 nan 0.000 0.526 171 V N 2.797 122.617 119.914 -0.157 0.000 2.599 171 V HA 0.402 4.522 4.120 0.000 0.000 0.300 171 V C 1.550 177.487 176.094 -0.263 0.000 1.034 171 V CA 0.226 62.355 62.300 -0.285 0.000 1.115 171 V CB 0.028 31.474 31.823 -0.627 0.000 0.934 171 V HN 0.506 nan 8.190 nan 0.000 0.485 172 G N 5.687 114.358 108.800 -0.215 0.000 2.580 172 G HA2 0.323 4.283 3.960 0.000 0.000 0.225 172 G HA3 0.323 4.283 3.960 0.000 0.000 0.225 172 G C 0.030 174.818 174.900 -0.186 0.000 1.521 172 G CA -0.551 44.452 45.100 -0.161 0.000 1.068 172 G HN 0.549 nan 8.290 nan 0.000 0.564 173 R N -1.244 119.180 120.500 -0.127 0.000 2.787 173 R HA 0.596 4.936 4.340 0.000 0.000 0.271 173 R C 0.618 176.863 176.300 -0.091 0.000 0.993 173 R CA -0.055 55.982 56.100 -0.106 0.000 0.993 173 R CB 0.943 31.198 30.300 -0.075 0.000 1.155 173 R HN 1.212 nan 8.270 nan 0.000 0.486 174 G N 0.468 109.221 108.800 -0.078 0.000 2.316 174 G HA2 -0.190 3.770 3.960 0.000 0.000 0.203 174 G HA3 -0.190 3.770 3.960 0.000 0.000 0.203 174 G C -0.178 174.672 174.900 -0.083 0.000 0.999 174 G CA -0.403 44.651 45.100 -0.076 0.000 0.649 174 G HN 0.454 nan 8.290 nan 0.000 0.489 175 E N 1.047 121.227 120.200 -0.034 0.000 2.183 175 E HA 0.590 4.940 4.350 0.000 0.000 0.271 175 E C -0.352 176.332 176.600 0.140 0.000 0.919 175 E CA -0.450 55.962 56.400 0.019 0.000 0.781 175 E CB 1.655 31.478 29.700 0.205 0.000 1.140 175 E HN 0.167 nan 8.360 nan 0.000 0.402 176 S N 2.330 118.033 115.700 0.004 0.000 2.579 176 S HA 0.045 4.515 4.470 0.000 0.000 0.275 176 S C 1.291 176.057 174.600 0.277 0.000 1.345 176 S CA -0.370 57.908 58.200 0.130 0.000 1.031 176 S CB 0.647 63.867 63.200 0.033 0.000 0.892 176 S HN 0.525 nan 8.310 nan 0.000 0.529 177 L N 1.079 122.311 121.223 0.015 0.000 2.046 177 L HA 0.106 4.446 4.340 0.000 0.000 0.208 177 L C 0.715 177.491 176.870 -0.157 0.000 1.077 177 L CA 1.336 55.901 54.840 -0.458 0.000 0.747 177 L CB -0.023 41.688 42.059 -0.580 0.000 0.896 177 L HN 0.629 nan 8.230 nan 0.000 0.432 178 M N -0.785 118.841 119.600 0.044 0.000 2.324 178 M HA 0.335 4.815 4.480 0.000 0.000 0.288 178 M C -1.934 174.497 176.300 0.218 0.000 1.097 178 M CA -0.722 54.605 55.300 0.045 0.000 0.928 178 M CB 2.005 34.613 32.600 0.014 0.000 1.648 178 M HN 0.068 nan 8.290 nan 0.000 0.460 179 Y N 1.249 121.552 120.300 0.006 0.000 2.641 179 Y HA 0.524 5.074 4.550 0.000 0.000 0.333 179 Y C -1.420 174.489 175.900 0.016 0.000 1.174 179 Y CA -1.629 56.483 58.100 0.019 0.000 1.057 179 Y CB 0.373 38.844 38.460 0.019 0.000 1.322 179 Y HN 0.826 nan 8.280 nan 0.000 0.457 180 N N 1.010 119.789 118.700 0.132 0.000 2.518 180 N HA 0.073 4.813 4.740 0.000 0.000 0.266 180 N C 0.832 176.370 175.510 0.047 0.000 1.196 180 N CA -0.091 52.984 53.050 0.041 0.000 0.947 180 N CB 1.444 39.969 38.487 0.064 0.000 1.098 180 N HN 0.955 nan 8.380 nan 0.000 0.450 181 E N 2.185 122.363 120.200 -0.036 0.000 2.049 181 E HA -0.381 3.969 4.350 0.000 0.000 0.198 181 E C -0.180 176.450 176.600 0.050 0.000 1.007 181 E CA 1.123 57.506 56.400 -0.028 0.000 0.809 181 E CB -0.163 29.512 29.700 -0.041 0.000 0.749 181 E HN 0.721 nan 8.360 nan 0.000 0.450 182 N N 0.963 119.690 118.700 0.045 0.000 2.602 182 N HA 0.031 4.771 4.740 0.000 0.000 0.238 182 N C 0.562 176.111 175.510 0.065 0.000 1.084 182 N CA -0.040 53.038 53.050 0.047 0.000 0.952 182 N CB 1.299 39.801 38.487 0.024 0.000 1.244 182 N HN -0.008 nan 8.380 nan 0.000 0.512 183 V N 2.341 122.303 119.914 0.080 0.000 2.626 183 V HA -0.179 3.941 4.120 0.000 0.000 0.252 183 V C 2.213 178.322 176.094 0.026 0.000 1.067 183 V CA 2.335 64.676 62.300 0.068 0.000 1.081 183 V CB -0.562 31.294 31.823 0.056 0.000 0.686 183 V HN 0.797 nan 8.190 nan 0.000 0.468 184 T N -2.895 111.671 114.554 0.020 0.000 3.004 184 T HA -0.067 4.283 4.350 0.000 0.000 0.243 184 T C 1.628 176.335 174.700 0.011 0.000 1.020 184 T CA 1.222 63.325 62.100 0.005 0.000 1.145 184 T CB -0.143 68.724 68.868 -0.001 0.000 0.876 184 T HN 0.515 nan 8.240 nan 0.000 0.449 185 T N -1.625 112.938 114.554 0.016 0.000 3.044 185 T HA 0.562 4.912 4.350 0.000 0.000 0.260 185 T C 1.214 175.928 174.700 0.024 0.000 1.019 185 T CA 0.382 62.492 62.100 0.016 0.000 0.921 185 T CB -0.145 68.725 68.868 0.004 0.000 1.053 185 T HN 1.186 nan 8.240 nan 0.000 0.533 186 G N 1.331 110.152 108.800 0.034 0.000 2.760 186 G HA2 -0.101 3.859 3.960 0.000 0.000 0.246 186 G HA3 -0.101 3.859 3.960 0.000 0.000 0.246 186 G C -1.130 173.788 174.900 0.030 0.000 1.359 186 G CA -0.490 44.639 45.100 0.049 0.000 0.861 186 G HN 0.571 nan 8.290 nan 0.000 0.541 187 N N -0.240 118.484 118.700 0.040 0.000 2.761 187 N HA 0.624 5.364 4.740 0.000 0.000 0.283 187 N C -0.928 174.598 175.510 0.027 0.000 1.377 187 N CA -0.661 52.400 53.050 0.017 0.000 0.791 187 N CB 2.088 40.580 38.487 0.007 0.000 1.540 187 N HN 0.691 nan 8.380 nan 0.000 0.539 188 E N 0.724 120.926 120.200 0.003 0.000 2.293 188 E HA 0.280 4.630 4.350 0.000 0.000 0.270 188 E C -1.267 175.308 176.600 -0.042 0.000 0.879 188 E CA -0.598 55.811 56.400 0.015 0.000 0.756 188 E CB 1.341 31.046 29.700 0.008 0.000 1.208 188 E HN 0.426 nan 8.360 nan 0.000 0.428 189 N N 1.911 120.566 118.700 -0.075 0.000 2.621 189 N HA -0.176 4.564 4.740 0.000 0.000 0.269 189 N C -1.175 173.934 175.510 -0.667 0.000 1.154 189 N CA 0.898 53.765 53.050 -0.305 0.000 0.696 189 N CB -1.167 37.294 38.487 -0.044 0.000 0.878 189 N HN 0.482 nan 8.380 nan 0.000 0.550 190 I N 1.197 121.334 120.570 -0.722 0.000 2.418 190 I HA 0.418 4.588 4.170 0.000 0.000 0.287 190 I C -0.365 175.428 176.117 -0.540 0.000 1.008 190 I CA -0.647 60.352 61.300 -0.502 0.000 1.104 190 I CB 0.869 38.778 38.000 -0.152 0.000 1.264 190 I HN 0.017 nan 8.210 nan 0.000 0.438 191 F N 7.028 127.079 119.950 0.168 0.000 2.434 191 F HA 0.541 5.068 4.527 0.000 0.000 0.355 191 F C -0.448 175.456 175.800 0.174 0.000 1.115 191 F CA -0.653 57.451 58.000 0.174 0.000 1.010 191 F CB 1.102 40.153 39.000 0.086 0.000 1.234 191 F HN 0.088 nan 8.300 nan 0.000 0.439 192 L N 2.915 124.332 121.223 0.323 0.000 2.333 192 L HA 0.713 5.053 4.340 0.000 0.000 0.280 192 L C -0.223 176.749 176.870 0.170 0.000 1.004 192 L CA -0.589 54.425 54.840 0.289 0.000 0.820 192 L CB 2.042 44.256 42.059 0.258 0.000 1.247 192 L HN 0.581 nan 8.230 nan 0.000 0.416 193 S N 0.711 116.514 115.700 0.172 0.000 2.536 193 S HA 0.528 4.998 4.470 0.000 0.000 0.271 193 S C -0.545 174.065 174.600 0.017 0.000 1.134 193 S CA -0.381 57.845 58.200 0.044 0.000 0.897 193 S CB 1.469 64.746 63.200 0.128 0.000 1.094 193 S HN 0.649 nan 8.310 nan 0.000 0.473 194 S N 1.823 117.457 115.700 -0.111 0.000 3.766 194 S HA -0.096 4.374 4.470 0.000 0.000 0.416 194 S C -0.555 174.126 174.600 0.136 0.000 0.902 194 S CA 1.418 59.628 58.200 0.017 0.000 1.283 194 S CB -2.519 60.759 63.200 0.130 0.000 0.891 194 S HN 1.467 nan 8.310 nan 0.000 0.556 195 F N -3.009 116.977 119.950 0.061 0.000 2.713 195 F HA 0.773 5.300 4.527 0.000 0.000 0.311 195 F C -0.365 175.467 175.800 0.053 0.000 1.141 195 F CA -1.228 56.800 58.000 0.046 0.000 0.939 195 F CB 0.765 39.775 39.000 0.016 0.000 1.325 195 F HN -0.088 nan 8.300 nan 0.000 0.453 196 T N 2.754 117.497 114.554 0.314 0.000 2.799 196 T HA 0.616 4.966 4.350 0.000 0.000 0.286 196 T C -0.471 174.394 174.700 0.274 0.000 0.973 196 T CA -0.400 61.827 62.100 0.212 0.000 1.035 196 T CB 0.930 69.888 68.868 0.150 0.000 0.932 196 T HN 0.530 nan 8.240 nan 0.000 0.469 197 L N 3.552 124.895 121.223 0.200 0.000 2.265 197 L HA 0.416 4.756 4.340 0.000 0.000 0.289 197 L C 0.009 176.914 176.870 0.058 0.000 1.033 197 L CA -0.719 54.198 54.840 0.127 0.000 0.814 197 L CB 1.011 43.147 42.059 0.127 0.000 1.203 197 L HN 0.542 nan 8.230 nan 0.000 0.423 198 D N 2.493 122.906 120.400 0.021 0.000 2.441 198 D HA 0.228 4.868 4.640 0.000 0.000 0.231 198 D C 0.987 177.291 176.300 0.008 0.000 1.073 198 D CA -0.405 53.612 54.000 0.027 0.000 0.850 198 D CB 2.050 42.872 40.800 0.037 0.000 1.062 198 D HN 0.602 nan 8.370 nan 0.000 0.524 199 G N 3.075 111.897 108.800 0.037 0.000 2.598 199 G HA2 -0.215 3.745 3.960 0.000 0.000 0.215 199 G HA3 -0.215 3.745 3.960 0.000 0.000 0.215 199 G C 0.907 175.930 174.900 0.206 0.000 1.131 199 G CA 0.035 45.188 45.100 0.089 0.000 0.785 199 G HN 0.855 nan 8.290 nan 0.000 0.539 200 N N -0.277 118.502 118.700 0.132 0.000 2.727 200 N HA -0.289 4.451 4.740 0.000 0.000 0.249 200 N C 1.266 176.840 175.510 0.106 0.000 1.048 200 N CA 0.502 53.624 53.050 0.120 0.000 0.714 200 N CB -0.993 37.585 38.487 0.151 0.000 0.959 200 N HN 0.449 nan 8.380 nan 0.000 0.544 201 N N 0.614 119.368 118.700 0.090 0.000 2.192 201 N HA -0.157 4.583 4.740 0.000 0.000 0.188 201 N C 1.394 176.923 175.510 0.031 0.000 1.013 201 N CA 1.654 54.740 53.050 0.060 0.000 0.863 201 N CB 0.076 38.593 38.487 0.050 0.000 0.990 201 N HN 0.407 nan 8.380 nan 0.000 0.430 202 K N 0.105 120.522 120.400 0.028 0.000 2.160 202 K HA -0.210 4.110 4.320 0.000 0.000 0.206 202 K C 1.969 178.574 176.600 0.008 0.000 1.047 202 K CA 1.482 57.777 56.287 0.014 0.000 0.930 202 K CB -0.195 32.314 32.500 0.016 0.000 0.720 202 K HN 0.468 nan 8.250 nan 0.000 0.450 203 R N 0.981 121.489 120.500 0.012 0.000 2.241 203 R HA -0.113 4.227 4.340 0.000 0.000 0.224 203 R C 1.417 177.708 176.300 -0.014 0.000 1.101 203 R CA 1.185 57.284 56.100 -0.001 0.000 0.995 203 R CB -0.331 29.968 30.300 -0.003 0.000 0.870 203 R HN 0.189 nan 8.270 nan 0.000 0.463 204 L N 0.687 121.902 121.223 -0.013 0.000 2.592 204 L HA 0.304 4.644 4.340 0.000 0.000 0.227 204 L C 0.882 177.743 176.870 -0.016 0.000 1.127 204 L CA 0.239 55.066 54.840 -0.020 0.000 0.884 204 L CB -0.001 42.045 42.059 -0.021 0.000 1.065 204 L HN 0.561 nan 8.230 nan 0.000 0.457 205 G N 0.206 108.999 108.800 -0.012 0.000 2.725 205 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 205 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 205 G C -0.725 174.167 174.900 -0.012 0.000 1.357 205 G CA -0.798 44.295 45.100 -0.012 0.000 0.866 205 G HN 0.058 nan 8.290 nan 0.000 0.548 206 Q N 0.067 119.859 119.800 -0.014 0.000 2.205 206 Q HA 0.578 4.918 4.340 0.000 0.000 0.249 206 Q C 1.168 177.157 176.000 -0.019 0.000 0.948 206 Q CA 0.552 56.344 55.803 -0.017 0.000 0.895 206 Q CB 1.069 29.794 28.738 -0.020 0.000 1.249 206 Q HN 2.542 nan 8.270 nan 0.000 0.458 207 G N 1.080 109.866 108.800 -0.022 0.000 2.136 207 G HA2 -0.192 3.768 3.960 0.000 0.000 0.242 207 G HA3 -0.192 3.768 3.960 0.000 0.000 0.242 207 G C 0.016 174.907 174.900 -0.015 0.000 0.989 207 G CA -0.207 44.880 45.100 -0.022 0.000 0.682 207 G HN 0.381 nan 8.290 nan 0.000 0.522 208 I N 0.856 121.419 120.570 -0.011 0.000 2.392 208 I HA 0.687 4.857 4.170 0.000 0.000 0.295 208 I C 0.608 176.726 176.117 0.001 0.000 0.985 208 I CA -0.356 60.939 61.300 -0.008 0.000 1.221 208 I CB 1.296 39.290 38.000 -0.010 0.000 1.366 208 I HN 0.151 nan 8.210 nan 0.000 0.467 209 S N 3.269 118.969 115.700 0.001 0.000 2.823 209 S HA 0.774 5.244 4.470 0.000 0.000 0.316 209 S C 0.083 174.676 174.600 -0.011 0.000 1.116 209 S CA -0.440 57.762 58.200 0.004 0.000 0.911 209 S CB 1.667 64.877 63.200 0.016 0.000 1.276 209 S HN 0.818 nan 8.310 nan 0.000 0.565 210 G N 0.896 109.681 108.800 -0.025 0.000 2.432 210 G HA2 0.277 4.237 3.960 0.000 0.000 0.239 210 G HA3 0.277 4.237 3.960 0.000 0.000 0.239 210 G C 0.649 175.529 174.900 -0.034 0.000 1.291 210 G CA -0.200 44.876 45.100 -0.041 0.000 0.863 210 G HN 0.726 nan 8.290 nan 0.000 0.560 211 I N 0.805 121.349 120.570 -0.043 0.000 2.676 211 I HA 0.238 4.408 4.170 0.000 0.000 0.259 211 I C 1.206 177.297 176.117 -0.042 0.000 1.194 211 I CA 1.442 62.717 61.300 -0.042 0.000 1.473 211 I CB -0.038 37.933 38.000 -0.049 0.000 1.096 211 I HN 0.696 nan 8.210 nan 0.000 0.443 212 G N -0.925 107.843 108.800 -0.053 0.000 2.318 212 G HA2 0.423 4.383 3.960 0.000 0.000 0.306 212 G HA3 0.423 4.383 3.960 0.000 0.000 0.306 212 G C -0.067 174.776 174.900 -0.096 0.000 1.696 212 G CA -0.471 44.599 45.100 -0.050 0.000 0.905 212 G HN 0.542 nan 8.290 nan 0.000 0.700 213 G N 1.284 110.039 108.800 -0.075 0.000 2.596 213 G HA2 -0.008 3.952 3.960 0.000 0.000 0.295 213 G HA3 -0.008 3.952 3.960 0.000 0.000 0.295 213 G C 1.714 176.348 174.900 -0.444 0.000 1.240 213 G CA 1.461 46.402 45.100 -0.265 0.000 0.985 213 G HN 2.349 nan 8.290 nan 0.000 0.555 214 S N 0.521 115.748 115.700 -0.787 0.000 2.631 214 S HA 0.274 4.744 4.470 0.000 0.000 0.217 214 S C 1.008 175.465 174.600 -0.238 0.000 0.958 214 S CA 0.737 58.611 58.200 -0.543 0.000 0.920 214 S CB 0.015 62.832 63.200 -0.638 0.000 0.776 214 S HN 0.728 nan 8.310 nan 0.000 0.517 215 R N 1.748 122.115 120.500 -0.221 0.000 2.543 215 R HA 0.259 4.599 4.340 0.000 0.000 0.277 215 R C 0.101 176.340 176.300 -0.101 0.000 1.074 215 R CA 0.260 56.258 56.100 -0.169 0.000 1.076 215 R CB -0.059 30.149 30.300 -0.152 0.000 0.993 215 R HN 0.444 nan 8.270 nan 0.000 0.459 216 E N -0.670 119.493 120.200 -0.061 0.000 3.169 216 E HA -0.157 4.193 4.350 0.000 0.000 0.305 216 E C -0.758 175.867 176.600 0.042 0.000 0.912 216 E CA 0.190 56.604 56.400 0.023 0.000 1.029 216 E CB -1.300 28.407 29.700 0.011 0.000 1.514 216 E HN 0.566 nan 8.360 nan 0.000 0.412 217 S N 0.127 115.849 115.700 0.036 0.000 2.624 217 S HA 0.220 4.690 4.470 0.000 0.000 0.263 217 S C 1.229 175.880 174.600 0.085 0.000 1.287 217 S CA -0.536 57.710 58.200 0.076 0.000 0.990 217 S CB 0.763 64.045 63.200 0.138 0.000 0.950 217 S HN 0.210 nan 8.310 nan 0.000 0.561 218 N N -0.050 118.698 118.700 0.080 0.000 2.142 218 N HA 0.042 4.782 4.740 0.000 0.000 0.186 218 N C -0.182 175.363 175.510 0.059 0.000 1.023 218 N CA 0.785 53.863 53.050 0.046 0.000 0.852 218 N CB -0.245 38.271 38.487 0.048 0.000 0.998 218 N HN 0.346 nan 8.380 nan 0.000 0.424 219 L N -0.203 121.073 121.223 0.089 0.000 2.439 219 L HA 0.490 4.830 4.340 0.000 0.000 0.270 219 L C -1.263 175.680 176.870 0.121 0.000 0.972 219 L CA -0.382 54.525 54.840 0.111 0.000 0.836 219 L CB 1.918 44.038 42.059 0.102 0.000 1.255 219 L HN -0.233 nan 8.230 nan 0.000 0.404 220 S N 6.295 122.083 115.700 0.148 0.000 2.519 220 S HA 0.718 5.188 4.470 0.000 0.000 0.309 220 S C -0.778 173.908 174.600 0.143 0.000 1.100 220 S CA -0.492 57.787 58.200 0.132 0.000 1.059 220 S CB 1.319 64.566 63.200 0.079 0.000 1.008 220 S HN 0.415 nan 8.310 nan 0.000 0.478 221 I N 3.776 124.413 120.570 0.112 0.000 2.382 221 I HA 0.415 4.585 4.170 0.000 0.000 0.286 221 I C -0.035 176.134 176.117 0.087 0.000 1.002 221 I CA -0.460 60.899 61.300 0.098 0.000 1.135 221 I CB 1.339 39.383 38.000 0.075 0.000 1.288 221 I HN 0.516 nan 8.210 nan 0.000 0.448 222 R N 4.654 125.206 120.500 0.086 0.000 2.409 222 R HA 0.621 4.961 4.340 0.000 0.000 0.313 222 R C 0.503 176.846 176.300 0.072 0.000 0.953 222 R CA -0.566 55.575 56.100 0.069 0.000 0.849 222 R CB 1.853 32.182 30.300 0.048 0.000 1.171 222 R HN 0.743 nan 8.270 nan 0.000 0.458 223 A N 1.171 124.034 122.820 0.072 0.000 2.860 223 A HA -0.206 4.114 4.320 0.000 0.000 0.267 223 A C 0.066 177.745 177.584 0.159 0.000 1.421 223 A CA 0.734 52.829 52.037 0.096 0.000 0.831 223 A CB -2.276 16.769 19.000 0.076 0.000 1.041 223 A HN 0.707 nan 8.150 nan 0.000 0.623 224 C N 0.452 119.834 119.300 0.136 0.000 2.370 224 C HA 0.668 5.128 4.460 0.000 0.000 0.354 224 C C 0.627 175.753 174.990 0.227 0.000 1.218 224 C CA -0.489 58.633 59.018 0.173 0.000 2.154 224 C CB 0.429 28.223 27.740 0.091 0.000 2.391 224 C HN 0.600 nan 8.230 nan 0.000 0.540 225 H N 2.643 121.732 119.070 0.032 0.000 2.469 225 H HA 0.261 4.817 4.556 0.000 0.000 0.342 225 H C -0.519 174.851 175.328 0.070 0.000 1.115 225 H CA -0.361 55.722 56.048 0.057 0.000 1.204 225 H CB 1.055 30.859 29.762 0.070 0.000 1.492 225 H HN 0.781 nan 8.280 nan 0.000 0.499 226 N N 1.328 120.144 118.700 0.192 0.000 2.729 226 N HA -0.149 4.591 4.740 0.000 0.000 0.259 226 N C -1.268 174.353 175.510 0.185 0.000 1.119 226 N CA 0.235 53.439 53.050 0.256 0.000 0.679 226 N CB -1.418 37.263 38.487 0.324 0.000 0.892 226 N HN 0.227 nan 8.380 nan 0.000 0.558 227 V N 1.611 121.583 119.914 0.096 0.000 2.487 227 V HA 0.490 4.610 4.120 0.000 0.000 0.298 227 V C -0.420 175.733 176.094 0.097 0.000 1.028 227 V CA -0.641 61.713 62.300 0.090 0.000 0.860 227 V CB 1.477 33.325 31.823 0.042 0.000 0.991 227 V HN 0.252 nan 8.190 nan 0.000 0.427 228 Y N 4.799 125.249 120.300 0.250 0.000 2.328 228 Y HA 0.671 5.221 4.550 0.000 0.000 0.333 228 Y C -0.031 176.007 175.900 0.229 0.000 0.958 228 Y CA -0.790 57.503 58.100 0.320 0.000 1.167 228 Y CB 1.729 40.426 38.460 0.395 0.000 1.151 228 Y HN 0.473 nan 8.280 nan 0.000 0.470 229 I N 4.584 125.320 120.570 0.277 0.000 2.411 229 I HA 0.524 4.694 4.170 0.000 0.000 0.284 229 I C -0.550 175.650 176.117 0.138 0.000 1.012 229 I CA -0.687 60.713 61.300 0.167 0.000 1.119 229 I CB 1.655 39.720 38.000 0.108 0.000 1.261 229 I HN 0.429 nan 8.210 nan 0.000 0.448 230 R N 5.246 125.799 120.500 0.087 0.000 2.574 230 R HA 0.347 4.688 4.340 0.000 0.000 0.288 230 R C -0.790 175.508 176.300 -0.003 0.000 1.004 230 R CA -0.261 55.885 56.100 0.077 0.000 0.895 230 R CB 0.970 31.338 30.300 0.115 0.000 1.191 230 R HN 0.561 nan 8.270 nan 0.000 0.444 231 D N 3.475 123.884 120.400 0.014 0.000 2.708 231 D HA -0.175 4.465 4.640 0.000 0.000 0.236 231 D C -0.582 175.657 176.300 -0.102 0.000 1.146 231 D CA 1.016 55.012 54.000 -0.006 0.000 0.662 231 D CB -0.386 40.425 40.800 0.019 0.000 1.059 231 D HN 0.262 nan 8.370 nan 0.000 0.428 232 I N 0.940 121.429 120.570 -0.134 0.000 2.359 232 I HA 0.208 4.378 4.170 0.000 0.000 0.294 232 I C 0.805 176.879 176.117 -0.071 0.000 0.987 232 I CA -0.385 60.774 61.300 -0.236 0.000 1.225 232 I CB 1.593 39.407 38.000 -0.310 0.000 1.366 232 I HN -0.036 nan 8.210 nan 0.000 0.466 233 E N 5.213 125.393 120.200 -0.032 0.000 2.134 233 E HA 0.622 4.972 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 -0.654 55.768 56.400 0.038 0.000 0.783 233 E CB 1.481 31.226 29.700 0.074 0.000 1.095 233 E HN 0.724 nan 8.360 nan 0.000 0.399 234 A N 4.614 127.457 122.820 0.039 0.000 2.273 234 A HA 0.519 4.839 4.320 0.000 0.000 0.315 234 A C -0.465 177.149 177.584 0.051 0.000 1.256 234 A CA -0.618 51.447 52.037 0.046 0.000 0.851 234 A CB 0.704 19.725 19.000 0.035 0.000 1.172 234 A HN 0.473 nan 8.150 nan 0.000 0.508 235 V N -0.059 119.888 119.914 0.055 0.000 3.001 235 V HA 0.772 4.892 4.120 0.000 0.000 0.314 235 V C 0.042 176.166 176.094 0.051 0.000 1.099 235 V CA -0.499 61.828 62.300 0.045 0.000 0.989 235 V CB 1.525 33.373 31.823 0.042 0.000 1.040 235 V HN 0.917 nan 8.190 nan 0.000 0.434 236 D N 0.965 121.386 120.400 0.036 0.000 2.740 236 D HA -0.175 4.465 4.640 0.000 0.000 0.231 236 D C -0.079 176.262 176.300 0.068 0.000 1.194 236 D CA 0.966 54.989 54.000 0.039 0.000 0.673 236 D CB -1.129 39.695 40.800 0.039 0.000 0.995 236 D HN 1.038 nan 8.370 nan 0.000 0.411 237 C N 0.449 119.804 119.300 0.091 0.000 2.388 237 C HA 0.436 4.896 4.460 0.000 0.000 0.362 237 C C 2.182 177.236 174.990 0.106 0.000 1.266 237 C CA -0.629 58.459 59.018 0.116 0.000 2.028 237 C CB 1.088 28.925 27.740 0.162 0.000 2.440 237 C HN 0.480 nan 8.230 nan 0.000 0.547 238 T N 1.509 116.118 114.554 0.092 0.000 2.732 238 T HA -0.094 4.256 4.350 0.000 0.000 0.261 238 T C 1.368 176.088 174.700 0.032 0.000 1.040 238 T CA 1.301 63.437 62.100 0.060 0.000 1.145 238 T CB -0.133 68.770 68.868 0.058 0.000 0.866 238 T HN 0.596 nan 8.240 nan 0.000 0.427 239 L N -0.289 120.931 121.223 -0.004 0.000 2.714 239 L HA 0.372 4.712 4.340 0.000 0.000 0.184 239 L C 0.458 177.272 176.870 -0.094 0.000 1.317 239 L CA 0.409 55.168 54.840 -0.135 0.000 2.279 239 L CB -0.084 41.814 42.059 -0.268 0.000 2.140 239 L HN 0.211 nan 8.230 nan 0.000 1.029 240 H N -1.005 118.118 119.070 0.090 0.000 2.517 240 H HA 0.360 4.916 4.556 0.000 0.000 0.346 240 H C 0.684 176.007 175.328 -0.009 0.000 1.222 240 H CA -0.044 56.005 56.048 0.002 0.000 1.314 240 H CB 0.813 30.569 29.762 -0.009 0.000 1.609 240 H HN 0.500 nan 8.280 nan 0.000 0.571 241 G N 0.578 109.388 108.800 0.017 0.000 2.454 241 G HA2 0.033 3.993 3.960 0.000 0.000 0.214 241 G HA3 0.033 3.993 3.960 0.000 0.000 0.214 241 G C 0.421 175.336 174.900 0.026 0.000 1.217 241 G CA 0.350 45.453 45.100 0.004 0.000 0.799 241 G HN 0.488 nan 8.290 nan 0.000 0.538 242 I N 0.556 121.115 120.570 -0.018 0.000 2.478 242 I HA 0.332 4.502 4.170 0.000 0.000 0.287 242 I C -1.835 174.282 176.117 -0.001 0.000 1.042 242 I CA -0.736 60.570 61.300 0.010 0.000 1.067 242 I CB 2.494 40.490 38.000 -0.008 0.000 1.233 242 I HN -0.018 nan 8.210 nan 0.000 0.431 243 D N 7.429 127.867 120.400 0.065 0.000 2.629 243 D HA 0.453 5.093 4.640 0.000 0.000 0.250 243 D C -1.080 175.280 176.300 0.100 0.000 1.126 243 D CA -0.345 53.706 54.000 0.085 0.000 0.852 243 D CB 1.649 42.590 40.800 0.236 0.000 1.335 243 D HN 0.133 nan 8.370 nan 0.000 0.518 244 I N 3.022 123.640 120.570 0.079 0.000 2.339 244 I HA 0.406 4.576 4.170 0.000 0.000 0.290 244 I C 0.637 176.834 176.117 0.133 0.000 0.994 244 I CA -0.427 60.914 61.300 0.068 0.000 1.191 244 I CB 0.712 38.709 38.000 -0.005 0.000 1.343 244 I HN 0.351 nan 8.210 nan 0.000 0.458 245 T N 5.177 119.815 114.554 0.139 0.000 2.778 245 T HA 0.519 4.869 4.350 0.000 0.000 0.293 245 T C -0.004 174.771 174.700 0.126 0.000 1.144 245 T CA -0.379 61.837 62.100 0.192 0.000 1.010 245 T CB 1.253 70.282 68.868 0.269 0.000 1.325 245 T HN 0.783 nan 8.240 nan 0.000 0.515 246 C N 0.651 120.040 119.300 0.148 0.000 2.560 246 C HA 0.887 5.347 4.460 0.000 0.000 0.334 246 C C 1.501 176.513 174.990 0.036 0.000 1.404 246 C CA -0.338 58.726 59.018 0.077 0.000 2.410 246 C CB -1.226 26.546 27.740 0.053 0.000 2.268 246 C HN 1.046 nan 8.230 nan 0.000 0.673 247 G N -0.361 108.448 108.800 0.015 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 0.434 175.313 174.900 -0.035 0.000 1.277 247 G CA 0.555 45.655 45.100 0.000 0.000 0.851 247 G HN 2.465 nan 8.290 nan 0.000 0.573 248 G N 0.081 108.854 108.800 -0.045 0.000 2.770 248 G HA2 -0.075 3.885 3.960 0.000 0.000 0.686 248 G HA3 -0.075 3.885 3.960 0.000 0.000 0.686 248 G C 0.548 175.370 174.900 -0.130 0.000 1.180 248 G CA -0.240 44.813 45.100 -0.078 0.000 0.767 248 G HN 0.809 nan 8.290 nan 0.000 0.646 249 L N 0.382 121.518 121.223 -0.146 0.000 2.109 249 L HA 0.105 4.445 4.340 0.000 0.000 0.207 249 L C 1.315 178.003 176.870 -0.303 0.000 1.086 249 L CA 0.768 55.481 54.840 -0.211 0.000 0.760 249 L CB -0.284 41.670 42.059 -0.174 0.000 0.910 249 L HN 0.527 nan 8.230 nan 0.000 0.437 250 D N -1.041 119.219 120.400 -0.234 0.000 2.344 250 D HA 0.136 4.776 4.640 0.000 0.000 0.244 250 D C -0.563 175.552 176.300 -0.309 0.000 1.134 250 D CA -0.014 53.840 54.000 -0.243 0.000 0.930 250 D CB 0.593 41.338 40.800 -0.092 0.000 1.175 250 D HN -0.070 nan 8.370 nan 0.000 0.437 251 Y N 0.785 121.019 120.300 -0.110 0.000 2.304 251 Y HA 0.247 4.797 4.550 0.000 0.000 0.328 251 Y C -1.417 174.229 175.900 -0.423 0.000 1.123 251 Y CA -1.811 56.137 58.100 -0.254 0.000 1.218 251 Y CB 0.739 39.030 38.460 -0.281 0.000 1.207 251 Y HN 0.076 nan 8.280 nan 0.000 0.495 252 P HA 0.122 nan 4.420 nan 0.000 0.285 252 P C -1.557 175.441 177.300 -0.503 0.000 1.259 252 P CA -0.337 62.558 63.100 -0.342 0.000 0.794 252 P CB 0.640 32.127 31.700 -0.355 0.000 0.940 253 Y N 2.208 122.541 120.300 0.054 0.000 2.919 253 Y HA 0.301 4.851 4.550 0.000 0.000 0.341 253 Y C 1.194 177.131 175.900 0.061 0.000 1.045 253 Y CA -0.345 57.809 58.100 0.089 0.000 1.218 253 Y CB 0.761 39.270 38.460 0.081 0.000 1.137 253 Y HN 0.141 nan 8.280 nan 0.000 0.577 254 L N 1.838 123.138 121.223 0.129 0.000 2.607 254 L HA 0.449 4.789 4.340 0.000 0.000 0.228 254 L C 0.962 177.895 176.870 0.105 0.000 1.123 254 L CA 0.175 55.067 54.840 0.086 0.000 0.890 254 L CB -0.020 42.055 42.059 0.026 0.000 1.103 254 L HN 0.774 nan 8.230 nan 0.000 0.468 255 G N 0.646 109.539 108.800 0.154 0.000 2.662 255 G HA2 -0.204 3.756 3.960 0.000 0.000 0.686 255 G HA3 -0.204 3.756 3.960 0.000 0.000 0.686 255 G C -0.917 174.070 174.900 0.145 0.000 1.271 255 G CA -0.768 44.420 45.100 0.147 0.000 0.816 255 G HN 0.122 nan 8.290 nan 0.000 0.608 256 D N -0.061 120.432 120.400 0.155 0.000 2.400 256 D HA 0.518 5.158 4.640 0.000 0.000 0.238 256 D C 1.612 177.943 176.300 0.051 0.000 1.157 256 D CA 1.952 56.018 54.000 0.111 0.000 0.889 256 D CB 0.453 41.302 40.800 0.082 0.000 1.199 256 D HN 2.115 nan 8.370 nan 0.000 0.436 257 G N 1.676 110.481 108.800 0.009 0.000 2.160 257 G HA2 -0.206 3.754 3.960 0.000 0.000 0.251 257 G HA3 -0.206 3.754 3.960 0.000 0.000 0.251 257 G C 0.371 175.273 174.900 0.003 0.000 1.008 257 G CA 0.805 45.892 45.100 -0.021 0.000 0.724 257 G HN 0.903 nan 8.290 nan 0.000 0.514 258 T N -2.797 111.778 114.554 0.035 0.000 2.940 258 T HA 0.770 5.120 4.350 0.000 0.000 0.288 258 T C -0.353 174.388 174.700 0.067 0.000 1.045 258 T CA -0.023 62.103 62.100 0.044 0.000 1.018 258 T CB 2.632 71.529 68.868 0.048 0.000 1.151 258 T HN 0.407 nan 8.240 nan 0.000 0.529 259 T N 1.530 116.117 114.554 0.056 0.000 2.847 259 T HA 0.690 5.040 4.350 0.000 0.000 0.291 259 T C 0.077 174.795 174.700 0.030 0.000 0.998 259 T CA -0.559 61.583 62.100 0.070 0.000 0.967 259 T CB 1.022 69.930 68.868 0.068 0.000 0.954 259 T HN 1.039 nan 8.240 nan 0.000 0.441 260 A N 5.489 128.316 122.820 0.013 0.000 2.425 260 A HA 0.632 4.952 4.320 0.000 0.000 0.249 260 A C -1.926 175.632 177.584 -0.044 0.000 1.084 260 A CA -1.154 50.827 52.037 -0.093 0.000 0.781 260 A CB -0.306 18.488 19.000 -0.342 0.000 1.019 260 A HN 0.542 nan 8.150 nan 0.000 0.490 261 P HA 0.090 nan 4.420 nan 0.000 0.272 261 P C -0.617 176.680 177.300 -0.005 0.000 1.230 261 P CA -0.277 62.814 63.100 -0.014 0.000 0.788 261 P CB 0.213 31.903 31.700 -0.016 0.000 0.949 262 N N -2.030 116.685 118.700 0.025 0.000 2.708 262 N HA -0.096 4.644 4.740 0.000 0.000 0.255 262 N C -2.179 173.365 175.510 0.056 0.000 1.046 262 N CA 0.364 53.445 53.050 0.051 0.000 0.715 262 N CB -1.537 36.970 38.487 0.034 0.000 0.895 262 N HN 0.427 nan 8.380 nan 0.000 0.545 263 P HA 0.118 nan 4.420 nan 0.000 0.272 263 P C 0.152 177.446 177.300 -0.010 0.000 1.230 263 P CA -0.075 63.029 63.100 0.007 0.000 0.788 263 P CB 0.744 32.411 31.700 -0.054 0.000 0.949 264 S N 0.427 116.104 115.700 -0.039 0.000 2.592 264 S HA 0.246 4.716 4.470 0.000 0.000 0.271 264 S C 0.078 174.534 174.600 -0.241 0.000 1.326 264 S CA -0.135 58.012 58.200 -0.089 0.000 1.024 264 S CB 0.128 63.305 63.200 -0.037 0.000 0.921 264 S HN 0.551 nan 8.310 nan 0.000 0.527 265 E N 1.337 121.331 120.200 -0.343 0.000 2.354 265 E HA 0.294 4.644 4.350 0.000 0.000 0.283 265 E C -1.270 175.228 176.600 -0.171 0.000 0.938 265 E CA -0.595 55.589 56.400 -0.360 0.000 0.777 265 E CB 0.742 30.085 29.700 -0.596 0.000 1.222 265 E HN 0.545 nan 8.360 nan 0.000 0.423 266 N N 3.543 122.224 118.700 -0.033 0.000 2.621 266 N HA -0.125 4.615 4.740 0.000 0.000 0.269 266 N C -1.741 173.725 175.510 -0.075 0.000 1.154 266 N CA 0.686 53.745 53.050 0.014 0.000 0.696 266 N CB -0.812 37.769 38.487 0.157 0.000 0.878 266 N HN 0.464 nan 8.380 nan 0.000 0.550 267 I N 1.047 121.478 120.570 -0.232 0.000 2.569 267 I HA 0.504 4.674 4.170 0.000 0.000 0.296 267 I C -0.052 175.829 176.117 -0.393 0.000 1.028 267 I CA -0.441 60.734 61.300 -0.208 0.000 1.082 267 I CB 1.153 39.065 38.000 -0.146 0.000 1.264 267 I HN 0.282 nan 8.210 nan 0.000 0.429 268 W N 6.089 127.229 121.300 -0.266 0.000 2.715 268 W HA 0.630 5.290 4.660 0.000 0.000 0.331 268 W C -0.663 175.827 176.519 -0.049 0.000 1.031 268 W CA -0.248 56.998 57.345 -0.165 0.000 1.237 268 W CB 1.506 30.829 29.460 -0.228 0.000 1.378 268 W HN 0.146 nan 8.180 nan 0.000 0.454 269 I N 3.555 124.228 120.570 0.171 0.000 2.410 269 I HA 0.378 4.548 4.170 0.000 0.000 0.286 269 I C -0.416 175.805 176.117 0.174 0.000 1.009 269 I CA -0.810 60.578 61.300 0.148 0.000 1.111 269 I CB 1.488 39.546 38.000 0.096 0.000 1.262 269 I HN 0.346 nan 8.210 nan 0.000 0.443 270 E N 5.630 125.935 120.200 0.174 0.000 2.308 270 E HA 0.349 4.699 4.350 0.000 0.000 0.275 270 E C -0.665 176.015 176.600 0.134 0.000 0.890 270 E CA -0.858 55.642 56.400 0.167 0.000 0.754 270 E CB 1.732 31.544 29.700 0.188 0.000 1.207 270 E HN 0.513 nan 8.360 nan 0.000 0.426 271 N N 0.398 119.178 118.700 0.133 0.000 2.725 271 N HA -0.169 4.571 4.740 0.000 0.000 0.249 271 N C -0.776 174.804 175.510 0.117 0.000 1.103 271 N CA 0.716 53.838 53.050 0.120 0.000 0.707 271 N CB -1.461 37.081 38.487 0.093 0.000 1.043 271 N HN 0.370 nan 8.380 nan 0.000 0.553 272 C N 0.429 119.811 119.300 0.136 0.000 2.351 272 C HA 0.568 5.028 4.460 0.000 0.000 0.359 272 C C 1.013 176.095 174.990 0.154 0.000 1.193 272 C CA -0.641 58.442 59.018 0.109 0.000 2.270 272 C CB 1.980 29.767 27.740 0.080 0.000 2.369 272 C HN 0.338 nan 8.230 nan 0.000 0.553 273 E N 0.450 120.721 120.200 0.118 0.000 2.293 273 E HA 0.667 5.017 4.350 0.000 0.000 0.270 273 E C -1.349 175.274 176.600 0.038 0.000 0.879 273 E CA -0.357 56.126 56.400 0.137 0.000 0.756 273 E CB 1.710 31.532 29.700 0.204 0.000 1.208 273 E HN 0.857 nan 8.360 nan 0.000 0.428 274 A N 2.930 125.729 122.820 -0.036 0.000 2.374 274 A HA 0.698 5.018 4.320 0.000 0.000 0.305 274 A C -0.831 176.715 177.584 -0.063 0.000 1.053 274 A CA -0.444 51.560 52.037 -0.054 0.000 0.726 274 A CB 2.176 21.070 19.000 -0.177 0.000 1.229 274 A HN 0.479 nan 8.150 nan 0.000 0.431 275 T N 0.091 114.643 114.554 -0.004 0.000 2.821 275 T HA 0.563 4.913 4.350 0.000 0.000 0.306 275 T C 0.566 175.188 174.700 -0.130 0.000 1.313 275 T CA 0.899 62.849 62.100 -0.250 0.000 1.012 275 T CB 1.080 69.507 68.868 -0.735 0.000 1.298 275 T HN 2.533 nan 8.240 nan 0.000 0.502 276 G N 2.329 110.902 108.800 -0.378 0.000 2.305 276 G HA2 -0.198 3.762 3.960 0.000 0.000 0.287 276 G HA3 -0.198 3.762 3.960 0.000 0.000 0.287 276 G C -0.085 174.724 174.900 -0.152 0.000 1.036 276 G CA 0.827 45.772 45.100 -0.260 0.000 0.887 276 G HN 1.007 nan 8.290 nan 0.000 0.505 277 F N -2.224 117.702 119.950 -0.040 0.000 2.408 277 F HA 0.759 5.286 4.527 0.000 0.000 0.325 277 F C 1.212 177.023 175.800 0.017 0.000 1.082 277 F CA -1.132 56.864 58.000 -0.007 0.000 1.032 277 F CB 0.881 39.881 39.000 0.001 0.000 1.259 277 F HN 0.011 nan 8.300 nan 0.000 0.503 278 G N -0.727 108.222 108.800 0.248 0.000 2.595 278 G HA2 -0.001 3.959 3.960 0.000 0.000 0.213 278 G HA3 -0.001 3.959 3.960 0.000 0.000 0.213 278 G C 0.396 175.428 174.900 0.220 0.000 1.141 278 G CA 0.699 45.888 45.100 0.148 0.000 0.806 278 G HN 0.657 nan 8.290 nan 0.000 0.530 279 D N -0.432 120.156 120.400 0.313 0.000 3.051 279 D HA 0.138 4.778 4.640 0.000 0.000 0.216 279 D C -0.540 176.045 176.300 0.475 0.000 1.454 279 D CA 0.003 54.202 54.000 0.333 0.000 1.400 279 D CB 0.648 41.569 40.800 0.202 0.000 0.975 279 D HN -0.041 nan 8.370 nan 0.000 0.212 280 D N -0.745 119.884 120.400 0.381 0.000 2.340 280 D HA 0.420 5.060 4.640 0.000 0.000 0.240 280 D C 0.749 176.432 176.300 -1.028 0.000 1.001 280 D CA -0.535 53.347 54.000 -0.195 0.000 0.888 280 D CB 2.013 42.719 40.800 -0.156 0.000 1.310 280 D HN 0.326 nan 8.370 nan 0.000 0.474 281 G N 0.816 108.596 108.800 -1.700 0.000 2.454 281 G HA2 0.016 3.976 3.960 0.000 0.000 0.214 281 G HA3 0.016 3.976 3.960 0.000 0.000 0.214 281 G C 0.594 175.063 174.900 -0.719 0.000 1.217 281 G CA 0.521 44.678 45.100 -1.572 0.000 0.799 281 G HN 0.486 nan 8.290 nan 0.000 0.538 282 I N 0.062 120.250 120.570 -0.636 0.000 2.466 282 I HA 0.475 4.645 4.170 0.000 0.000 0.289 282 I C -0.660 175.280 176.117 -0.295 0.000 1.026 282 I CA -0.342 60.741 61.300 -0.362 0.000 1.078 282 I CB 2.652 40.509 38.000 -0.238 0.000 1.249 282 I HN 0.065 nan 8.210 nan 0.000 0.429 283 T N 3.522 117.917 114.554 -0.264 0.000 2.900 283 T HA 0.669 5.019 4.350 0.000 0.000 0.303 283 T C -0.836 173.705 174.700 -0.264 0.000 1.142 283 T CA -0.421 61.481 62.100 -0.330 0.000 1.007 283 T CB 1.619 70.160 68.868 -0.545 0.000 1.156 283 T HN 0.700 nan 8.240 nan 0.000 0.490 284 T N 1.193 115.527 114.554 -0.367 0.000 2.876 284 T HA 0.776 5.126 4.350 0.000 0.000 0.289 284 T C -1.296 173.082 174.700 -0.537 0.000 1.014 284 T CA -0.727 61.193 62.100 -0.299 0.000 0.986 284 T CB 1.225 69.947 68.868 -0.243 0.000 1.021 284 T HN 0.709 nan 8.240 nan 0.000 0.458 285 H N 0.702 119.647 119.070 -0.207 0.000 2.771 285 H HA 0.496 5.052 4.556 0.000 0.000 0.361 285 H C -0.163 175.048 175.328 -0.196 0.000 1.108 285 H CA -0.640 55.228 56.048 -0.301 0.000 1.201 285 H CB 0.840 30.479 29.762 -0.205 0.000 1.681 285 H HN 0.848 nan 8.280 nan 0.000 0.534 286 H N 0.210 119.257 119.070 -0.039 0.000 2.741 286 H HA -0.140 4.416 4.556 0.000 0.000 0.305 286 H C -0.595 174.674 175.328 -0.099 0.000 1.169 286 H CA 1.057 57.069 56.048 -0.060 0.000 1.144 286 H CB -1.476 28.280 29.762 -0.010 0.000 1.397 286 H HN 0.520 nan 8.280 nan 0.000 0.409 287 S N -0.073 115.558 115.700 -0.115 0.000 2.651 287 S HA 0.625 5.095 4.470 0.000 0.000 0.279 287 S C -0.196 174.223 174.600 -0.301 0.000 1.148 287 S CA -0.952 57.147 58.200 -0.170 0.000 0.837 287 S CB 3.447 66.576 63.200 -0.119 0.000 1.138 287 S HN 0.449 nan 8.310 nan 0.000 0.478 288 Q N -0.193 119.381 119.800 -0.377 0.000 2.482 288 Q HA 0.614 4.954 4.340 0.000 0.000 0.286 288 Q C -1.661 174.035 176.000 -0.508 0.000 1.007 288 Q CA -1.094 54.382 55.803 -0.545 0.000 0.801 288 Q CB 1.126 29.384 28.738 -0.799 0.000 1.455 288 Q HN 0.808 nan 8.270 nan 0.000 0.398 289 Y N -0.071 120.157 120.300 -0.120 0.000 2.984 289 Y HA -0.164 4.386 4.550 0.000 0.000 0.132 289 Y C -0.963 174.744 175.900 -0.322 0.000 1.924 289 Y CA -0.206 57.783 58.100 -0.185 0.000 0.976 289 Y CB -1.689 36.684 38.460 -0.145 0.000 1.560 289 Y HN 0.521 nan 8.280 nan 0.000 0.353 290 I N 2.018 122.448 120.570 -0.233 0.000 2.533 290 I HA 0.345 4.515 4.170 0.000 0.000 0.290 290 I C -0.299 175.574 176.117 -0.406 0.000 1.056 290 I CA -0.695 60.398 61.300 -0.345 0.000 1.057 290 I CB 1.969 39.823 38.000 -0.243 0.000 1.240 290 I HN 0.342 nan 8.210 nan 0.000 0.423 291 N N 7.090 125.454 118.700 -0.560 0.000 2.372 291 N HA 0.580 5.320 4.740 0.000 0.000 0.285 291 N C -1.188 174.217 175.510 -0.174 0.000 1.008 291 N CA -0.476 52.322 53.050 -0.419 0.000 0.880 291 N CB 2.560 40.643 38.487 -0.673 0.000 1.239 291 N HN 0.401 nan 8.380 nan 0.000 0.484 292 I N 4.010 124.523 120.570 -0.095 0.000 2.382 292 I HA 0.386 4.556 4.170 0.000 0.000 0.285 292 I C -0.690 175.431 176.117 0.005 0.000 1.007 292 I CA -0.448 60.849 61.300 -0.006 0.000 1.142 292 I CB 1.100 39.100 38.000 0.001 0.000 1.289 292 I HN 0.225 nan 8.210 nan 0.000 0.453 293 L N 6.437 127.707 121.223 0.078 0.000 2.410 293 L HA 0.526 4.866 4.340 0.000 0.000 0.270 293 L C -0.102 176.829 176.870 0.102 0.000 0.983 293 L CA -0.884 54.004 54.840 0.080 0.000 0.822 293 L CB 1.659 43.794 42.059 0.126 0.000 1.285 293 L HN 0.579 nan 8.230 nan 0.000 0.409 294 N N 0.046 118.792 118.700 0.077 0.000 2.725 294 N HA -0.166 4.574 4.740 0.000 0.000 0.249 294 N C -0.487 175.115 175.510 0.153 0.000 1.103 294 N CA 0.576 53.680 53.050 0.091 0.000 0.707 294 N CB -1.785 36.750 38.487 0.081 0.000 1.043 294 N HN 0.517 nan 8.380 nan 0.000 0.553 295 C N 0.073 119.509 119.300 0.227 0.000 2.335 295 C HA 0.591 5.051 4.460 0.000 0.000 0.363 295 C C 0.518 175.827 174.990 0.532 0.000 1.198 295 C CA -0.758 58.478 59.018 0.363 0.000 2.279 295 C CB 0.827 28.843 27.740 0.461 0.000 2.334 295 C HN 0.391 nan 8.230 nan 0.000 0.559 296 Y N 0.975 121.467 120.300 0.320 0.000 2.326 296 Y HA 0.530 5.080 4.550 0.000 0.000 0.329 296 Y C -0.441 175.635 175.900 0.294 0.000 0.973 296 Y CA -0.742 57.548 58.100 0.316 0.000 1.162 296 Y CB 1.164 39.752 38.460 0.212 0.000 1.147 296 Y HN 0.698 nan 8.280 nan 0.000 0.456 297 S N 6.478 122.251 115.700 0.122 0.000 2.519 297 S HA 0.636 5.106 4.470 0.000 0.000 0.309 297 S C -1.502 173.087 174.600 -0.019 0.000 1.100 297 S CA -0.595 57.505 58.200 -0.168 0.000 1.059 297 S CB 0.666 63.483 63.200 -0.638 0.000 1.008 297 S HN 0.851 nan 8.310 nan 0.000 0.478 298 H N -1.061 117.930 119.070 -0.132 0.000 3.042 298 H HA 0.577 5.133 4.556 0.000 0.000 0.346 298 H C -1.647 173.613 175.328 -0.113 0.000 1.294 298 H CA -1.066 54.907 56.048 -0.125 0.000 1.141 298 H CB 0.509 30.044 29.762 -0.377 0.000 1.872 298 H HN 0.359 nan 8.280 nan 0.000 0.541 299 D N 0.800 121.177 120.400 -0.038 0.000 3.133 299 D HA -0.103 4.537 4.640 0.000 0.000 0.239 299 D C -2.394 173.625 176.300 -0.469 0.000 1.136 299 D CA 0.321 54.244 54.000 -0.128 0.000 0.898 299 D CB -0.739 40.049 40.800 -0.020 0.000 0.959 299 D HN 0.471 nan 8.370 nan 0.000 0.415 300 P HA 0.090 nan 4.420 nan 0.000 0.272 300 P C 1.072 178.160 177.300 -0.355 0.000 1.230 300 P CA -0.236 62.361 63.100 -0.837 0.000 0.788 300 P CB 0.780 32.298 31.700 -0.303 0.000 0.949 301 R N 0.456 120.776 120.500 -0.301 0.000 2.090 301 R HA 0.063 4.403 4.340 0.000 0.000 0.228 301 R C 0.826 177.062 176.300 -0.108 0.000 1.110 301 R CA 0.868 56.876 56.100 -0.154 0.000 0.973 301 R CB -0.386 29.852 30.300 -0.104 0.000 0.869 301 R HN 0.433 nan 8.270 nan 0.000 0.440 302 L N -0.655 120.529 121.223 -0.065 0.000 2.376 302 L HA 0.291 4.631 4.340 0.000 0.000 0.267 302 L C 0.848 177.689 176.870 -0.048 0.000 1.035 302 L CA -0.489 54.326 54.840 -0.042 0.000 0.800 302 L CB 1.563 43.631 42.059 0.015 0.000 1.290 302 L HN 0.029 nan 8.230 nan 0.000 0.462 303 T N -3.072 111.415 114.554 -0.111 0.000 3.296 303 T HA 0.521 4.872 4.350 0.000 0.000 0.285 303 T C 0.217 174.949 174.700 0.052 0.000 1.014 303 T CA -0.118 61.818 62.100 -0.274 0.000 0.920 303 T CB 0.479 69.049 68.868 -0.497 0.000 1.143 303 T HN 0.574 nan 8.240 nan 0.000 0.522 304 A N 2.219 125.119 122.820 0.134 0.000 3.054 304 A HA 0.569 4.889 4.320 0.000 0.000 0.207 304 A C 0.837 178.492 177.584 0.118 0.000 1.942 304 A CA -0.564 51.531 52.037 0.097 0.000 0.878 304 A CB -0.345 18.701 19.000 0.077 0.000 1.860 304 A HN 0.375 nan 8.150 nan 0.000 0.706 305 N N -0.298 118.440 118.700 0.063 0.000 3.103 305 N HA 0.157 4.897 4.740 0.000 0.000 0.305 305 N C -1.320 174.310 175.510 0.200 0.000 1.232 305 N CA -0.022 53.062 53.050 0.057 0.000 1.190 305 N CB -0.960 37.578 38.487 0.085 0.000 1.461 305 N HN 0.424 nan 8.380 nan 0.000 0.538 306 C N 2.481 121.937 119.300 0.260 0.000 2.225 306 C HA 0.477 4.937 4.460 0.000 0.000 0.323 306 C C -0.192 174.960 174.990 0.270 0.000 1.164 306 C CA -1.230 57.990 59.018 0.336 0.000 1.565 306 C CB -1.053 26.950 27.740 0.437 0.000 2.124 306 C HN 0.534 nan 8.230 nan 0.000 0.461 307 N N 1.151 119.985 118.700 0.223 0.000 2.404 307 N HA 0.371 5.111 4.740 0.000 0.000 0.297 307 N C 0.972 176.490 175.510 0.013 0.000 1.163 307 N CA -0.307 52.797 53.050 0.090 0.000 0.864 307 N CB 1.807 40.320 38.487 0.043 0.000 1.247 307 N HN 0.647 nan 8.380 nan 0.000 0.510 308 G N 0.315 109.111 108.800 -0.008 0.000 2.434 308 G HA2 -0.043 3.917 3.960 0.000 0.000 0.214 308 G HA3 -0.043 3.917 3.960 0.000 0.000 0.214 308 G C -0.223 174.312 174.900 -0.608 0.000 1.202 308 G CA 0.800 45.795 45.100 -0.175 0.000 0.788 308 G HN 0.459 nan 8.290 nan 0.000 0.539 309 F N -0.228 119.674 119.950 -0.081 0.000 2.507 309 F HA 0.544 5.072 4.527 0.000 0.000 0.328 309 F C -0.406 175.305 175.800 -0.149 0.000 1.136 309 F CA -1.056 56.870 58.000 -0.124 0.000 0.930 309 F CB 2.534 41.475 39.000 -0.098 0.000 1.166 309 F HN 0.036 nan 8.300 nan 0.000 0.436 310 E N 3.984 124.138 120.200 -0.077 0.000 2.207 310 E HA 0.417 4.767 4.350 0.000 0.000 0.250 310 E C -1.431 175.030 176.600 -0.231 0.000 0.890 310 E CA -0.395 55.919 56.400 -0.144 0.000 0.749 310 E CB 0.491 30.076 29.700 -0.191 0.000 1.193 310 E HN 0.385 nan 8.360 nan 0.000 0.423 311 I N 4.320 124.775 120.570 -0.192 0.000 2.269 311 I HA 0.309 4.479 4.170 0.000 0.000 0.293 311 I C 0.166 176.106 176.117 -0.296 0.000 1.106 311 I CA -0.267 60.880 61.300 -0.255 0.000 1.248 311 I CB -0.108 37.762 38.000 -0.216 0.000 1.444 311 I HN 0.606 nan 8.210 nan 0.000 0.497 312 D N 3.898 124.036 120.400 -0.436 0.000 2.616 312 D HA 0.205 4.845 4.640 0.000 0.000 0.260 312 D C -0.641 175.399 176.300 -0.433 0.000 1.158 312 D CA -0.497 53.238 54.000 -0.441 0.000 1.085 312 D CB 1.228 41.654 40.800 -0.623 0.000 1.222 312 D HN 0.263 nan 8.370 nan 0.000 0.626 313 D N -0.242 119.952 120.400 -0.343 0.000 4.262 313 D HA 0.111 4.751 4.640 0.000 0.000 0.186 313 D C 1.166 177.020 176.300 -0.743 0.000 1.090 313 D CA 1.843 55.625 54.000 -0.363 0.000 0.711 313 D CB -0.307 40.386 40.800 -0.177 0.000 1.194 313 D HN 0.675 nan 8.370 nan 0.000 0.627 314 G N 1.801 110.313 108.800 -0.479 0.000 2.179 314 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 314 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 314 G C 0.593 175.286 174.900 -0.346 0.000 0.977 314 G CA 0.444 45.329 45.100 -0.359 0.000 0.641 314 G HN 0.608 nan 8.290 nan 0.000 0.533 315 S N 1.391 116.843 115.700 -0.414 0.000 2.579 315 S HA 0.632 5.102 4.470 0.000 0.000 0.275 315 S C 0.518 174.746 174.600 -0.620 0.000 1.345 315 S CA 0.544 58.485 58.200 -0.433 0.000 1.031 315 S CB 1.021 63.987 63.200 -0.390 0.000 0.892 315 S HN 1.001 nan 8.310 nan 0.000 0.529 316 R N 1.319 121.391 120.500 -0.713 0.000 2.664 316 R HA 0.276 4.616 4.340 0.000 0.000 0.266 316 R C -1.569 174.265 176.300 -0.776 0.000 1.046 316 R CA -0.669 54.763 56.100 -1.114 0.000 0.885 316 R CB 0.131 29.212 30.300 -2.031 0.000 1.254 316 R HN 0.824 nan 8.270 nan 0.000 0.465 317 H N -0.879 117.997 119.070 -0.323 0.000 2.827 317 H HA -0.079 4.477 4.556 0.000 0.000 0.330 317 H C -0.949 174.286 175.328 -0.155 0.000 1.236 317 H CA 0.502 56.465 56.048 -0.141 0.000 1.165 317 H CB -1.918 27.857 29.762 0.021 0.000 1.532 317 H HN 0.427 nan 8.280 nan 0.000 0.434 318 V N 0.924 120.761 119.914 -0.128 0.000 2.604 318 V HA 0.510 4.630 4.120 0.000 0.000 0.305 318 V C 0.545 176.547 176.094 -0.154 0.000 1.043 318 V CA -0.909 61.289 62.300 -0.170 0.000 0.888 318 V CB 2.842 34.534 31.823 -0.217 0.000 0.995 318 V HN 0.170 nan 8.190 nan 0.000 0.429 319 V N 5.879 125.695 119.914 -0.164 0.000 2.417 319 V HA 0.531 4.651 4.120 0.000 0.000 0.291 319 V C -0.570 175.436 176.094 -0.146 0.000 1.024 319 V CA -0.487 61.727 62.300 -0.144 0.000 0.861 319 V CB 1.657 33.405 31.823 -0.125 0.000 0.985 319 V HN 0.637 nan 8.190 nan 0.000 0.436 320 L N 4.177 125.314 121.223 -0.143 0.000 2.322 320 L HA 0.757 5.097 4.340 0.000 0.000 0.281 320 L C 0.010 176.818 176.870 -0.104 0.000 1.014 320 L CA 0.212 54.959 54.840 -0.155 0.000 0.815 320 L CB 1.954 43.874 42.059 -0.230 0.000 1.247 320 L HN 0.650 nan 8.230 nan 0.000 0.421 321 S N 2.304 117.960 115.700 -0.073 0.000 2.572 321 S HA 0.468 4.938 4.470 0.000 0.000 0.274 321 S C -0.296 174.297 174.600 -0.012 0.000 1.150 321 S CA -0.570 57.613 58.200 -0.028 0.000 0.944 321 S CB 0.648 63.841 63.200 -0.011 0.000 1.071 321 S HN 0.695 nan 8.310 nan 0.000 0.479 322 N N 2.194 120.893 118.700 -0.001 0.000 2.714 322 N HA -0.140 4.600 4.740 0.000 0.000 0.250 322 N C -0.583 174.914 175.510 -0.020 0.000 1.117 322 N CA 0.969 54.013 53.050 -0.010 0.000 0.719 322 N CB -1.506 36.982 38.487 0.002 0.000 1.081 322 N HN 0.688 nan 8.380 nan 0.000 0.557 323 N N 0.682 119.362 118.700 -0.034 0.000 2.408 323 N HA 0.307 5.047 4.740 0.000 0.000 0.260 323 N C 0.354 175.765 175.510 -0.166 0.000 1.242 323 N CA -0.091 52.937 53.050 -0.038 0.000 0.959 323 N CB 1.403 39.700 38.487 -0.316 0.000 1.201 323 N HN 0.219 nan 8.380 nan 0.000 0.511 324 R N -0.033 120.510 120.500 0.071 0.000 2.628 324 R HA 0.324 4.664 4.340 0.000 0.000 0.288 324 R C -1.018 175.597 176.300 0.526 0.000 0.980 324 R CA -0.508 55.605 56.100 0.021 0.000 0.891 324 R CB 1.098 31.395 30.300 -0.006 0.000 1.188 324 R HN 0.788 nan 8.270 nan 0.000 0.450 325 S N 2.671 118.634 115.700 0.439 0.000 2.568 325 S HA 0.573 5.043 4.470 0.000 0.000 0.302 325 S C -0.874 173.942 174.600 0.360 0.000 1.082 325 S CA -0.901 57.609 58.200 0.517 0.000 1.009 325 S CB 2.228 65.756 63.200 0.547 0.000 1.069 325 S HN 0.638 nan 8.310 nan 0.000 0.500 326 K N 0.396 120.989 120.400 0.323 0.000 2.553 326 K HA 0.528 4.848 4.320 0.000 0.000 0.250 326 K C 0.351 177.067 176.600 0.194 0.000 0.953 326 K CA 0.000 56.441 56.287 0.256 0.000 0.800 326 K CB 0.976 33.672 32.500 0.327 0.000 1.243 326 K HN 1.425 nan 8.250 nan 0.000 0.435 327 G N 2.328 111.215 108.800 0.145 0.000 2.198 327 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 327 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 327 G C -0.002 174.984 174.900 0.143 0.000 1.042 327 G CA 0.290 45.485 45.100 0.160 0.000 0.791 327 G HN 0.613 nan 8.290 nan 0.000 0.502 328 C N -2.046 117.245 119.300 -0.014 0.000 2.547 328 C HA 0.728 5.188 4.460 0.000 0.000 0.411 328 C C 1.650 176.203 174.990 -0.728 0.000 1.424 328 C CA -0.091 58.788 59.018 -0.232 0.000 1.848 328 C CB 0.906 28.626 27.740 -0.033 0.000 2.062 328 C HN 0.424 nan 8.230 nan 0.000 0.504 329 Y N 1.491 121.155 120.300 -1.061 0.000 2.144 329 Y HA 0.260 4.810 4.550 0.000 0.000 0.272 329 Y C 1.377 177.066 175.900 -0.351 0.000 1.092 329 Y CA 1.762 59.358 58.100 -0.840 0.000 1.080 329 Y CB -1.035 37.104 38.460 -0.535 0.000 1.003 329 Y HN 0.683 nan 8.280 nan 0.000 0.477 330 G N -0.256 108.272 108.800 -0.453 0.000 2.377 330 G HA2 0.408 4.368 3.960 0.000 0.000 0.299 330 G HA3 0.408 4.368 3.960 0.000 0.000 0.299 330 G C 0.785 175.561 174.900 -0.206 0.000 1.150 330 G CA -0.090 44.771 45.100 -0.399 0.000 0.847 330 G HN 0.694 nan 8.290 nan 0.000 0.501 331 G N 1.069 109.727 108.800 -0.237 0.000 2.496 331 G HA2 0.054 4.014 3.960 0.000 0.000 0.214 331 G HA3 0.054 4.014 3.960 0.000 0.000 0.214 331 G C 0.562 175.449 174.900 -0.022 0.000 1.234 331 G CA 0.185 45.227 45.100 -0.096 0.000 0.807 331 G HN 0.573 nan 8.290 nan 0.000 0.543 332 I N 0.869 121.325 120.570 -0.189 0.000 2.355 332 I HA 0.310 4.480 4.170 0.000 0.000 0.288 332 I C -0.690 175.445 176.117 0.031 0.000 0.999 332 I CA -0.394 60.877 61.300 -0.049 0.000 1.163 332 I CB 2.139 40.081 38.000 -0.096 0.000 1.316 332 I HN 0.191 nan 8.210 nan 0.000 0.454 333 E N 7.527 127.747 120.200 0.035 0.000 2.175 333 E HA 0.563 4.913 4.350 0.000 0.000 0.278 333 E C -1.235 175.396 176.600 0.051 0.000 0.969 333 E CA -0.602 55.836 56.400 0.064 0.000 0.796 333 E CB 1.401 31.119 29.700 0.031 0.000 1.104 333 E HN 0.512 nan 8.360 nan 0.000 0.395 334 I N 5.637 126.278 120.570 0.118 0.000 2.410 334 I HA 0.370 4.540 4.170 0.000 0.000 0.286 334 I C -0.245 175.920 176.117 0.080 0.000 1.009 334 I CA -0.468 60.807 61.300 -0.040 0.000 1.111 334 I CB 1.110 38.905 38.000 -0.341 0.000 1.262 334 I HN 0.556 nan 8.210 nan 0.000 0.443 335 K N 5.313 125.732 120.400 0.032 0.000 2.544 335 K HA 0.959 5.279 4.320 0.000 0.000 0.282 335 K C -1.867 174.667 176.600 -0.111 0.000 1.020 335 K CA -0.917 55.415 56.287 0.075 0.000 0.830 335 K CB 1.987 34.527 32.500 0.067 0.000 1.521 335 K HN 0.464 nan 8.250 nan 0.000 0.376 336 A N 0.331 123.063 122.820 -0.147 0.000 2.587 336 A HA 0.578 4.898 4.320 0.000 0.000 0.293 336 A C -1.514 176.089 177.584 0.032 0.000 1.087 336 A CA -0.859 51.080 52.037 -0.164 0.000 0.692 336 A CB 0.637 19.457 19.000 -0.300 0.000 1.291 336 A HN 0.758 nan 8.150 nan 0.000 0.407 337 H N -0.228 118.969 119.070 0.212 0.000 2.730 337 H HA 0.313 4.869 4.556 0.000 0.000 0.376 337 H C 1.756 177.270 175.328 0.310 0.000 1.299 337 H CA 1.098 57.293 56.048 0.245 0.000 1.447 337 H CB 0.741 30.655 29.762 0.253 0.000 1.493 337 H HN 0.786 nan 8.280 nan 0.000 0.619 338 G N -0.025 108.971 108.800 0.327 0.000 2.422 338 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 338 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 338 G C 0.521 175.578 174.900 0.262 0.000 1.146 338 G CA 0.786 46.007 45.100 0.201 0.000 0.769 338 G HN 0.634 nan 8.290 nan 0.000 0.547 339 D N 1.032 121.595 120.400 0.271 0.000 2.706 339 D HA 0.517 5.157 4.640 0.000 0.000 0.236 339 D C 0.442 176.964 176.300 0.370 0.000 1.231 339 D CA 0.356 54.514 54.000 0.263 0.000 0.828 339 D CB 0.640 41.547 40.800 0.178 0.000 1.015 339 D HN 0.308 nan 8.370 nan 0.000 0.484 340 A N 1.339 124.393 122.820 0.390 0.000 2.606 340 A HA 0.599 4.919 4.320 0.000 0.000 0.293 340 A C -2.880 174.848 177.584 0.240 0.000 1.082 340 A CA -1.306 50.928 52.037 0.329 0.000 0.685 340 A CB 2.041 21.265 19.000 0.373 0.000 1.284 340 A HN -0.181 nan 8.150 nan 0.000 0.408 341 P HA 0.441 nan 4.420 nan 0.000 0.280 341 P C -0.016 177.143 177.300 -0.235 0.000 1.244 341 P CA 0.222 63.308 63.100 -0.025 0.000 0.784 341 P CB 1.310 33.037 31.700 0.045 0.000 0.913 342 A N 3.584 126.064 122.820 -0.566 0.000 2.445 342 A HA 0.446 4.766 4.320 0.000 0.000 0.242 342 A C 0.747 178.221 177.584 -0.183 0.000 1.075 342 A CA -0.136 51.553 52.037 -0.580 0.000 0.777 342 A CB -0.434 18.060 19.000 -0.843 0.000 1.013 342 A HN 0.667 nan 8.150 nan 0.000 0.493 343 A N 1.109 123.847 122.820 -0.137 0.000 2.531 343 A HA 0.481 4.801 4.320 0.000 0.000 0.236 343 A C -0.138 177.467 177.584 0.035 0.000 1.062 343 A CA 0.676 52.626 52.037 -0.146 0.000 0.760 343 A CB -0.526 18.357 19.000 -0.195 0.000 0.995 343 A HN 1.649 nan 8.150 nan 0.000 0.501 344 Y N -0.479 119.734 120.300 -0.143 0.000 2.553 344 Y HA 0.627 5.177 4.550 0.000 0.000 0.347 344 Y C -0.030 175.779 175.900 -0.151 0.000 1.019 344 Y CA -1.555 56.495 58.100 -0.083 0.000 1.032 344 Y CB 1.052 39.466 38.460 -0.077 0.000 1.284 344 Y HN 0.739 nan 8.280 nan 0.000 0.466 345 N N 1.246 120.009 118.700 0.106 0.000 2.648 345 N HA -0.140 4.600 4.740 0.000 0.000 0.265 345 N C -1.832 173.637 175.510 -0.068 0.000 1.100 345 N CA 0.563 53.653 53.050 0.067 0.000 0.715 345 N CB -0.770 37.871 38.487 0.257 0.000 0.881 345 N HN 0.678 nan 8.380 nan 0.000 0.548 346 I N 0.023 120.510 120.570 -0.139 0.000 2.474 346 I HA 0.428 4.598 4.170 0.000 0.000 0.294 346 I C 0.483 176.480 176.117 -0.200 0.000 1.005 346 I CA -0.714 60.462 61.300 -0.208 0.000 1.113 346 I CB 1.539 39.354 38.000 -0.307 0.000 1.289 346 I HN 0.321 nan 8.210 nan 0.000 0.436 347 S N 6.907 122.507 115.700 -0.167 0.000 2.473 347 S HA 0.738 5.208 4.470 0.000 0.000 0.307 347 S C -0.800 173.712 174.600 -0.148 0.000 1.094 347 S CA -0.557 57.558 58.200 -0.142 0.000 1.070 347 S CB 0.902 64.045 63.200 -0.095 0.000 1.019 347 S HN 0.420 nan 8.310 nan 0.000 0.480 348 I N 4.682 125.168 120.570 -0.140 0.000 2.390 348 I HA 0.315 4.485 4.170 0.000 0.000 0.283 348 I C -0.161 175.908 176.117 -0.081 0.000 1.016 348 I CA -0.608 60.624 61.300 -0.113 0.000 1.151 348 I CB 1.317 39.253 38.000 -0.107 0.000 1.293 348 I HN 0.563 nan 8.210 nan 0.000 0.458 349 N N 5.872 124.536 118.700 -0.060 0.000 3.322 349 N HA 0.402 5.142 4.740 0.000 0.000 0.290 349 N C -0.022 175.476 175.510 -0.020 0.000 1.297 349 N CA 0.281 53.307 53.050 -0.040 0.000 1.167 349 N CB 0.348 38.815 38.487 -0.033 0.000 1.434 349 N HN 0.863 nan 8.380 nan 0.000 0.526 350 G N 1.427 110.217 108.800 -0.016 0.000 2.879 350 G HA2 -0.057 3.903 3.960 0.000 0.000 0.686 350 G HA3 -0.057 3.903 3.960 0.000 0.000 0.686 350 G C -1.328 173.625 174.900 0.088 0.000 1.115 350 G CA -0.571 44.536 45.100 0.013 0.000 0.770 350 G HN 0.795 nan 8.290 nan 0.000 0.601 351 H N 1.179 120.254 119.070 0.009 0.000 3.068 351 H HA 0.721 5.277 4.556 0.000 0.000 0.342 351 H C -0.671 174.745 175.328 0.148 0.000 1.284 351 H CA -0.666 55.429 56.048 0.078 0.000 1.181 351 H CB 1.571 31.451 29.762 0.196 0.000 1.898 351 H HN 0.852 nan 8.280 nan 0.000 0.540 352 M N 4.034 123.367 119.600 -0.446 0.000 2.190 352 M HA 0.385 4.865 4.480 0.000 0.000 0.312 352 M C -1.320 174.853 176.300 -0.211 0.000 0.990 352 M CA -0.592 54.600 55.300 -0.180 0.000 0.927 352 M CB 1.192 33.710 32.600 -0.137 0.000 1.571 352 M HN 0.547 nan 8.290 nan 0.000 0.427 353 S N 4.640 120.382 115.700 0.070 0.000 2.456 353 S HA 0.673 5.143 4.470 0.000 0.000 0.316 353 S C -1.255 173.386 174.600 0.068 0.000 1.089 353 S CA -0.556 57.688 58.200 0.073 0.000 1.101 353 S CB 0.991 64.148 63.200 -0.072 0.000 0.995 353 S HN 0.578 nan 8.310 nan 0.000 0.468 354 V N 5.436 125.401 119.914 0.086 0.000 2.378 354 V HA 0.455 4.575 4.120 0.000 0.000 0.288 354 V C 0.201 176.351 176.094 0.093 0.000 1.016 354 V CA -0.637 61.716 62.300 0.088 0.000 0.840 354 V CB 0.725 32.603 31.823 0.091 0.000 0.994 354 V HN 1.115 nan 8.190 nan 0.000 0.431 355 E N 1.596 121.847 120.200 0.085 0.000 2.440 355 E HA -0.203 4.147 4.350 0.000 0.000 0.246 355 E C -0.074 176.570 176.600 0.072 0.000 1.165 355 E CA 0.559 57.011 56.400 0.087 0.000 0.726 355 E CB -0.574 29.185 29.700 0.098 0.000 1.271 355 E HN 0.805 nan 8.360 nan 0.000 0.397 356 D N -0.797 119.617 120.400 0.022 0.000 2.383 356 D HA 0.132 4.772 4.640 0.000 0.000 0.248 356 D C 1.492 177.748 176.300 -0.074 0.000 1.170 356 D CA -0.256 53.708 54.000 -0.059 0.000 0.977 356 D CB 1.346 42.068 40.800 -0.129 0.000 1.120 356 D HN -0.117 nan 8.370 nan 0.000 0.481 357 V N 0.536 120.349 119.914 -0.167 0.000 2.302 357 V HA -0.063 4.057 4.120 0.000 0.000 0.243 357 V C 1.032 176.999 176.094 -0.211 0.000 1.036 357 V CA 1.299 63.530 62.300 -0.115 0.000 1.020 357 V CB -0.164 31.649 31.823 -0.016 0.000 0.657 357 V HN 0.330 nan 8.190 nan 0.000 0.453 358 R N -0.297 119.946 120.500 -0.427 0.000 2.407 358 R HA 0.389 4.730 4.340 0.000 0.000 0.298 358 R C 0.905 176.961 176.300 -0.407 0.000 1.166 358 R CA -0.059 55.808 56.100 -0.388 0.000 1.006 358 R CB 1.502 31.515 30.300 -0.478 0.000 1.145 358 R HN 0.227 nan 8.270 nan 0.000 0.538 359 S N 1.440 116.924 115.700 -0.360 0.000 2.365 359 S HA -0.147 4.323 4.470 0.000 0.000 0.225 359 S C 0.188 174.207 174.600 -0.969 0.000 1.039 359 S CA 1.429 59.267 58.200 -0.603 0.000 1.033 359 S CB -0.093 62.780 63.200 -0.545 0.000 0.887 359 S HN 0.463 nan 8.310 nan 0.000 0.447 360 Y N 0.806 120.966 120.300 -0.234 0.000 2.326 360 Y HA 0.485 5.035 4.550 0.000 0.000 0.329 360 Y C -0.031 175.500 175.900 -0.615 0.000 0.973 360 Y CA -0.751 57.118 58.100 -0.385 0.000 1.162 360 Y CB 0.921 39.135 38.460 -0.409 0.000 1.147 360 Y HN 0.053 nan 8.280 nan 0.000 0.456 361 N N 5.143 123.604 118.700 -0.398 0.000 2.576 361 N HA 0.398 5.138 4.740 0.000 0.000 0.269 361 N C -1.942 173.575 175.510 0.012 0.000 1.058 361 N CA -0.296 52.589 53.050 -0.275 0.000 0.860 361 N CB 0.766 39.129 38.487 -0.206 0.000 1.249 361 N HN 0.505 nan 8.380 nan 0.000 0.525 362 F N 3.678 123.625 119.950 -0.005 0.000 2.444 362 F HA 0.556 5.083 4.527 0.000 0.000 0.342 362 F C 0.627 176.559 175.800 0.220 0.000 1.121 362 F CA -1.083 56.904 58.000 -0.022 0.000 0.997 362 F CB 1.464 40.311 39.000 -0.255 0.000 1.130 362 F HN 0.285 nan 8.300 nan 0.000 0.454 363 R N 1.212 122.059 120.500 0.580 0.000 2.712 363 R HA 0.429 4.769 4.340 0.000 0.000 0.272 363 R C -2.204 174.419 176.300 0.538 0.000 1.032 363 R CA -1.080 55.385 56.100 0.610 0.000 0.874 363 R CB 2.253 32.818 30.300 0.442 0.000 1.256 363 R HN 0.820 nan 8.270 nan 0.000 0.468 364 H N 1.990 121.212 119.070 0.253 0.000 3.092 364 H HA 0.376 4.932 4.556 0.000 0.000 0.308 364 H C -0.423 174.744 175.328 -0.268 0.000 1.047 364 H CA -0.856 55.159 56.048 -0.055 0.000 1.466 364 H CB 0.916 30.540 29.762 -0.230 0.000 1.597 364 H HN 0.493 nan 8.280 nan 0.000 0.512 365 I N 4.102 124.766 120.570 0.157 0.000 2.845 365 I HA -0.122 4.048 4.170 0.000 0.000 0.296 365 I C 1.476 177.516 176.117 -0.127 0.000 1.216 365 I CA 1.918 63.251 61.300 0.055 0.000 1.438 365 I CB 0.536 38.640 38.000 0.174 0.000 1.342 365 I HN 1.084 nan 8.210 nan 0.000 0.577 366 G N 4.325 112.984 108.800 -0.235 0.000 2.179 366 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 366 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 366 G C 0.275 174.711 174.900 -0.774 0.000 0.977 366 G CA 0.212 45.060 45.100 -0.420 0.000 0.641 366 G HN 0.827 nan 8.290 nan 0.000 0.533 367 H N -1.648 117.103 119.070 -0.533 0.000 2.637 367 H HA 0.473 5.029 4.556 0.000 0.000 0.245 367 H C 1.218 176.373 175.328 -0.288 0.000 1.190 367 H CA -0.049 55.744 56.048 -0.425 0.000 0.934 367 H CB 0.198 29.630 29.762 -0.550 0.000 1.950 367 H HN 0.584 nan 8.280 nan 0.000 0.614 368 H N -0.634 118.453 119.070 0.029 0.000 2.681 368 H HA 0.438 4.994 4.556 0.000 0.000 0.268 368 H C 1.147 176.555 175.328 0.134 0.000 0.967 368 H CA 0.206 56.314 56.048 0.099 0.000 1.233 368 H CB 0.821 30.578 29.762 -0.007 0.000 1.445 368 H HN 0.295 nan 8.280 nan 0.000 0.494 369 A N 0.988 123.899 122.820 0.151 0.000 2.407 369 A HA 0.436 4.756 4.320 0.000 0.000 0.248 369 A C 1.531 179.173 177.584 0.096 0.000 1.082 369 A CA 0.364 52.474 52.037 0.122 0.000 0.785 369 A CB 0.151 19.178 19.000 0.045 0.000 1.020 369 A HN 0.486 nan 8.150 nan 0.000 0.489 370 A N 1.336 124.213 122.820 0.094 0.000 2.015 370 A HA 0.009 4.329 4.320 0.000 0.000 0.219 370 A C 1.855 179.460 177.584 0.035 0.000 1.163 370 A CA 2.007 54.080 52.037 0.060 0.000 0.646 370 A CB -0.792 18.238 19.000 0.050 0.000 0.806 370 A HN 1.354 nan 8.150 nan 0.000 0.448 371 T N -3.328 111.243 114.554 0.028 0.000 3.188 371 T HA 0.624 4.974 4.350 0.000 0.000 0.250 371 T C 0.369 175.066 174.700 -0.005 0.000 1.077 371 T CA 0.404 62.511 62.100 0.011 0.000 0.967 371 T CB -0.171 68.703 68.868 0.010 0.000 1.006 371 T HN 0.630 nan 8.240 nan 0.000 0.552 372 A N 2.105 124.919 122.820 -0.009 0.000 2.430 372 A HA 0.856 5.176 4.320 0.000 0.000 0.300 372 A C -2.781 174.794 177.584 -0.016 0.000 1.124 372 A CA -2.161 49.855 52.037 -0.034 0.000 0.766 372 A CB 1.097 20.044 19.000 -0.087 0.000 1.328 372 A HN 0.217 nan 8.150 nan 0.000 0.424 373 P HA 0.231 nan 4.420 nan 0.000 0.274 373 P C -0.601 176.731 177.300 0.054 0.000 1.237 373 P CA -0.167 62.944 63.100 0.019 0.000 0.793 373 P CB 0.492 32.206 31.700 0.022 0.000 0.977 374 Q N 1.142 120.968 119.800 0.043 0.000 2.386 374 Q HA 0.086 4.426 4.340 0.000 0.000 0.282 374 Q C 0.161 176.182 176.000 0.035 0.000 1.050 374 Q CA 0.329 56.158 55.803 0.044 0.000 0.918 374 Q CB 0.103 28.851 28.738 0.017 0.000 1.266 374 Q HN 0.432 nan 8.270 nan 0.000 0.423 375 S N 1.993 117.676 115.700 -0.027 0.000 2.537 375 S HA 0.051 4.521 4.470 0.000 0.000 0.286 375 S C 0.802 175.321 174.600 -0.134 0.000 1.299 375 S CA -0.065 58.013 58.200 -0.203 0.000 1.067 375 S CB 0.193 63.286 63.200 -0.179 0.000 0.864 375 S HN 0.709 nan 8.310 nan 0.000 0.494 376 V N 2.940 122.769 119.914 -0.141 0.000 3.623 376 V HA 0.153 4.273 4.120 0.000 0.000 0.271 376 V C 1.382 177.370 176.094 -0.177 0.000 1.248 376 V CA 1.187 63.407 62.300 -0.133 0.000 1.156 376 V CB -0.411 31.351 31.823 -0.103 0.000 0.870 376 V HN 0.871 nan 8.190 nan 0.000 0.453 377 S N 0.490 116.076 115.700 -0.190 0.000 2.539 377 S HA 0.479 4.949 4.470 0.000 0.000 0.226 377 S C 1.332 175.803 174.600 -0.216 0.000 1.054 377 S CA 0.501 58.566 58.200 -0.224 0.000 0.910 377 S CB -0.064 63.032 63.200 -0.173 0.000 0.818 377 S HN 1.011 nan 8.310 nan 0.000 0.490 378 A N 2.174 124.797 122.820 -0.329 0.000 2.785 378 A HA 0.554 4.874 4.320 0.000 0.000 0.294 378 A C -0.035 177.422 177.584 -0.213 0.000 1.597 378 A CA -0.189 51.431 52.037 -0.695 0.000 1.283 378 A CB -0.520 17.785 19.000 -1.157 0.000 1.088 378 A HN 0.508 nan 8.150 nan 0.000 0.568 379 K N 1.431 121.944 120.400 0.188 0.000 2.527 379 K HA 0.444 4.764 4.320 0.000 0.000 0.260 379 K C -1.131 175.668 176.600 0.332 0.000 0.937 379 K CA -1.151 55.342 56.287 0.344 0.000 0.826 379 K CB 1.644 34.273 32.500 0.215 0.000 1.359 379 K HN 0.493 nan 8.250 nan 0.000 0.434 380 N N 1.191 120.037 118.700 0.243 0.000 2.469 380 N HA -0.164 4.576 4.740 0.000 0.000 0.283 380 N C -1.689 173.808 175.510 -0.022 0.000 1.326 380 N CA 0.581 53.693 53.050 0.103 0.000 0.646 380 N CB -0.941 37.631 38.487 0.142 0.000 0.894 380 N HN 0.477 nan 8.380 nan 0.000 0.533 381 I N 0.960 121.447 120.570 -0.139 0.000 2.447 381 I HA 0.447 4.617 4.170 0.000 0.000 0.287 381 I C -0.299 175.693 176.117 -0.209 0.000 1.023 381 I CA -1.067 60.052 61.300 -0.300 0.000 1.083 381 I CB 1.924 39.534 38.000 -0.650 0.000 1.245 381 I HN -0.014 nan 8.210 nan 0.000 0.434 382 V N 5.504 125.312 119.914 -0.176 0.000 2.378 382 V HA 0.758 4.878 4.120 0.000 0.000 0.288 382 V C -0.040 175.977 176.094 -0.128 0.000 1.016 382 V CA -0.419 61.809 62.300 -0.121 0.000 0.840 382 V CB 1.484 33.259 31.823 -0.080 0.000 0.994 382 V HN 0.809 nan 8.190 nan 0.000 0.431 383 A N 4.112 126.870 122.820 -0.103 0.000 2.359 383 A HA 0.930 5.250 4.320 0.000 0.000 0.303 383 A C -0.225 177.300 177.584 -0.099 0.000 1.066 383 A CA -0.379 51.596 52.037 -0.104 0.000 0.730 383 A CB 1.786 20.747 19.000 -0.065 0.000 1.211 383 A HN 1.016 nan 8.150 nan 0.000 0.439 384 S N 1.937 117.577 115.700 -0.099 0.000 2.595 384 S HA 0.653 5.123 4.470 0.000 0.000 0.281 384 S C -0.097 174.457 174.600 -0.078 0.000 1.117 384 S CA -0.744 57.408 58.200 -0.080 0.000 0.873 384 S CB 1.279 64.446 63.200 -0.055 0.000 1.108 384 S HN 0.972 nan 8.310 nan 0.000 0.477 385 N N 0.389 119.053 118.700 -0.061 0.000 2.688 385 N HA -0.121 4.619 4.740 0.000 0.000 0.258 385 N C -1.074 174.410 175.510 -0.042 0.000 1.016 385 N CA 0.491 53.518 53.050 -0.039 0.000 0.747 385 N CB -1.186 37.288 38.487 -0.021 0.000 0.895 385 N HN 0.718 nan 8.380 nan 0.000 0.543 386 L N 0.555 121.721 121.223 -0.095 0.000 2.292 386 L HA 0.469 4.809 4.340 0.000 0.000 0.284 386 L C 0.584 177.473 176.870 0.032 0.000 1.065 386 L CA -0.731 54.021 54.840 -0.146 0.000 0.806 386 L CB 1.557 43.293 42.059 -0.538 0.000 1.175 386 L HN -0.195 nan 8.230 nan 0.000 0.431 387 V N 2.125 122.155 119.914 0.193 0.000 2.495 387 V HA 0.460 4.580 4.120 0.000 0.000 0.298 387 V C -0.101 176.191 176.094 0.331 0.000 1.031 387 V CA -0.409 62.015 62.300 0.205 0.000 0.871 387 V CB 1.804 33.696 31.823 0.115 0.000 0.988 387 V HN 0.797 nan 8.190 nan 0.000 0.432 388 S N 5.319 121.190 115.700 0.285 0.000 2.594 388 S HA 0.791 5.261 4.470 0.000 0.000 0.296 388 S C -1.098 173.644 174.600 0.236 0.000 1.124 388 S CA -0.458 57.894 58.200 0.253 0.000 1.011 388 S CB 0.858 64.218 63.200 0.267 0.000 1.016 388 S HN 0.539 nan 8.310 nan 0.000 0.485 389 I N 4.365 125.045 120.570 0.183 0.000 2.418 389 I HA 0.517 4.687 4.170 0.000 0.000 0.287 389 I C 0.253 176.465 176.117 0.159 0.000 1.008 389 I CA -0.763 60.650 61.300 0.188 0.000 1.104 389 I CB 1.642 39.719 38.000 0.128 0.000 1.264 389 I HN 0.791 nan 8.210 nan 0.000 0.438 390 R N 3.198 123.791 120.500 0.156 0.000 3.251 390 R HA -0.138 4.202 4.340 0.000 0.000 0.249 390 R C -2.401 173.971 176.300 0.120 0.000 0.949 390 R CA -0.230 55.929 56.100 0.098 0.000 0.645 390 R CB -1.647 28.700 30.300 0.079 0.000 1.065 390 R HN 0.369 nan 8.270 nan 0.000 0.452 391 P HA 0.000 nan 4.420 nan 0.000 0.268 391 P C -0.628 176.745 177.300 0.123 0.000 1.204 391 P CA 0.228 63.401 63.100 0.122 0.000 0.768 391 P CB 0.807 32.581 31.700 0.123 0.000 0.842 392 N N 0.524 119.284 118.700 0.100 0.000 3.046 392 N HA 0.253 4.993 4.740 0.000 0.000 0.243 392 N C -0.996 174.596 175.510 0.138 0.000 1.452 392 N CA -0.827 52.290 53.050 0.112 0.000 0.882 392 N CB 0.439 38.987 38.487 0.102 0.000 1.425 392 N HN 0.044 nan 8.380 nan 0.000 0.517 393 N N -0.355 118.434 118.700 0.148 0.000 2.599 393 N HA 0.269 5.009 4.740 0.000 0.000 0.309 393 N C -0.403 175.201 175.510 0.156 0.000 1.743 393 N CA -0.219 52.953 53.050 0.203 0.000 0.918 393 N CB 0.300 38.916 38.487 0.215 0.000 1.339 393 N HN 0.599 nan 8.380 nan 0.000 0.493 394 K N -0.333 120.146 120.400 0.132 0.000 2.152 394 K HA 0.015 4.335 4.320 0.000 0.000 0.206 394 K C 1.410 178.040 176.600 0.050 0.000 1.048 394 K CA 1.034 57.371 56.287 0.082 0.000 0.933 394 K CB 0.279 32.822 32.500 0.073 0.000 0.721 394 K HN 0.206 nan 8.250 nan 0.000 0.447 395 R N -0.531 120.006 120.500 0.061 0.000 2.276 395 R HA 0.004 4.344 4.340 0.000 0.000 0.203 395 R C 0.801 176.990 176.300 -0.184 0.000 1.017 395 R CA 0.673 56.713 56.100 -0.100 0.000 1.010 395 R CB 0.282 30.446 30.300 -0.227 0.000 0.900 395 R HN 0.384 nan 8.270 nan 0.000 0.469 396 G N 1.234 110.012 108.800 -0.036 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 0.002 174.879 174.900 -0.038 0.000 1.022 396 G CA -0.348 44.738 45.100 -0.024 0.000 0.741 396 G HN 0.193 nan 8.290 nan 0.000 0.508 397 F N 0.365 120.341 119.950 0.042 0.000 2.629 397 F HA 0.280 4.807 4.527 0.000 0.000 0.369 397 F C 1.799 177.547 175.800 -0.086 0.000 1.125 397 F CA 1.324 59.325 58.000 0.001 0.000 1.330 397 F CB 0.484 39.549 39.000 0.108 0.000 1.071 397 F HN 0.351 nan 8.300 nan 0.000 0.595 398 Q N 2.174 121.979 119.800 0.008 0.000 2.452 398 Q HA -0.270 4.070 4.340 0.000 0.000 0.318 398 Q C -0.517 175.458 176.000 -0.042 0.000 1.386 398 Q CA 0.949 56.672 55.803 -0.134 0.000 0.872 398 Q CB -1.643 26.815 28.738 -0.467 0.000 1.151 398 Q HN 0.830 nan 8.270 nan 0.000 0.417 399 D N 0.500 120.891 120.400 -0.016 0.000 2.689 399 D HA -0.202 4.438 4.640 0.000 0.000 0.237 399 D C 0.051 176.367 176.300 0.026 0.000 1.148 399 D CA 1.309 55.308 54.000 -0.001 0.000 0.656 399 D CB -1.154 39.642 40.800 -0.006 0.000 1.050 399 D HN 0.617 nan 8.370 nan 0.000 0.426 400 N N -2.790 115.939 118.700 0.049 0.000 2.735 400 N HA -0.219 4.521 4.740 0.000 0.000 0.248 400 N C 0.310 175.879 175.510 0.099 0.000 1.083 400 N CA 1.092 54.188 53.050 0.077 0.000 0.703 400 N CB -1.418 37.100 38.487 0.051 0.000 1.005 400 N HN 0.667 nan 8.380 nan 0.000 0.550 401 A N 0.528 123.424 122.820 0.126 0.000 2.587 401 A HA 0.257 4.577 4.320 0.000 0.000 0.233 401 A C 1.205 178.890 177.584 0.169 0.000 1.049 401 A CA 0.854 52.989 52.037 0.162 0.000 0.754 401 A CB 0.136 19.294 19.000 0.263 0.000 0.977 401 A HN 0.438 nan 8.150 nan 0.000 0.509 402 T N 1.565 116.197 114.554 0.131 0.000 2.884 402 T HA 0.514 4.864 4.350 0.000 0.000 0.298 402 T C -2.568 172.189 174.700 0.096 0.000 0.998 402 T CA -1.476 60.687 62.100 0.106 0.000 1.124 402 T CB 0.644 69.562 68.868 0.084 0.000 0.931 402 T HN 0.439 nan 8.240 nan 0.000 0.531 403 P HA 0.366 nan 4.420 nan 0.000 0.272 403 P C -0.252 177.053 177.300 0.008 0.000 1.230 403 P CA -0.559 62.570 63.100 0.049 0.000 0.788 403 P CB 0.479 32.227 31.700 0.080 0.000 0.949 404 R N 1.096 121.571 120.500 -0.042 0.000 2.626 404 R HA 0.251 4.591 4.340 0.000 0.000 0.274 404 R C 0.618 176.863 176.300 -0.092 0.000 1.031 404 R CA -0.819 55.233 56.100 -0.079 0.000 0.898 404 R CB 1.315 31.558 30.300 -0.094 0.000 1.222 404 R HN 0.112 nan 8.270 nan 0.000 0.455 405 V N 1.339 121.185 119.914 -0.114 0.000 2.379 405 V HA -0.025 4.095 4.120 0.000 0.000 0.245 405 V C 0.632 176.721 176.094 -0.008 0.000 1.044 405 V CA 1.308 63.580 62.300 -0.048 0.000 1.036 405 V CB -0.147 31.623 31.823 -0.088 0.000 0.664 405 V HN 0.544 nan 8.190 nan 0.000 0.453 406 L N -0.480 120.696 121.223 -0.077 0.000 2.493 406 L HA 0.789 5.129 4.340 0.000 0.000 0.265 406 L C -0.924 175.849 176.870 -0.162 0.000 0.954 406 L CA -0.392 54.374 54.840 -0.124 0.000 0.844 406 L CB 1.735 43.725 42.059 -0.114 0.000 1.302 406 L HN -0.048 nan 8.230 nan 0.000 0.405 407 A N 4.702 127.380 122.820 -0.237 0.000 2.357 407 A HA 0.786 5.106 4.320 0.000 0.000 0.295 407 A C -1.595 175.893 177.584 -0.160 0.000 1.121 407 A CA -0.499 51.451 52.037 -0.145 0.000 0.742 407 A CB 1.471 20.418 19.000 -0.088 0.000 1.181 407 A HN 0.559 nan 8.150 nan 0.000 0.454 408 V N 2.592 122.479 119.914 -0.045 0.000 2.417 408 V HA 0.776 4.896 4.120 0.000 0.000 0.291 408 V C 0.200 176.397 176.094 0.172 0.000 1.024 408 V CA -0.161 62.190 62.300 0.085 0.000 0.861 408 V CB 1.317 33.206 31.823 0.110 0.000 0.985 408 V HN 1.145 nan 8.190 nan 0.000 0.436 409 S N 2.833 118.710 115.700 0.295 0.000 2.588 409 S HA 0.840 5.310 4.470 0.000 0.000 0.275 409 S C 0.450 175.354 174.600 0.507 0.000 1.130 409 S CA 0.240 58.653 58.200 0.355 0.000 0.855 409 S CB 2.086 65.406 63.200 0.199 0.000 1.116 409 S HN 2.311 nan 8.310 nan 0.000 0.472 410 A N 0.033 123.142 122.820 0.482 0.000 3.292 410 A HA -0.240 4.080 4.320 0.000 0.000 0.241 410 A C 0.179 177.872 177.584 0.182 0.000 0.569 410 A CA 1.503 53.731 52.037 0.319 0.000 1.149 410 A CB -2.741 16.397 19.000 0.231 0.000 1.321 410 A HN 1.164 nan 8.150 nan 0.000 0.679 411 Y N -0.844 119.581 120.300 0.209 0.000 2.411 411 Y HA 0.439 4.989 4.550 0.000 0.000 0.333 411 Y C 0.413 176.406 175.900 0.154 0.000 1.186 411 Y CA 0.955 59.152 58.100 0.161 0.000 1.381 411 Y CB 0.291 38.828 38.460 0.128 0.000 1.273 411 Y HN 0.443 nan 8.280 nan 0.000 0.546 412 Y N 1.550 121.952 120.300 0.169 0.000 2.323 412 Y HA 0.507 5.057 4.550 0.000 0.000 0.331 412 Y C 0.509 176.488 175.900 0.132 0.000 1.092 412 Y CA -0.690 57.478 58.100 0.114 0.000 1.150 412 Y CB 1.234 39.721 38.460 0.046 0.000 1.200 412 Y HN 0.793 nan 8.280 nan 0.000 0.472 413 G N 4.058 112.352 108.800 -0.844 0.000 2.417 413 G HA2 -0.148 3.812 3.960 0.000 0.000 0.291 413 G HA3 -0.148 3.812 3.960 0.000 0.000 0.291 413 G C -1.394 173.364 174.900 -0.237 0.000 1.094 413 G CA 0.030 44.700 45.100 -0.718 0.000 1.146 413 G HN 0.793 nan 8.290 nan 0.000 0.519 414 V N 0.637 120.458 119.914 -0.155 0.000 2.384 414 V HA 0.607 4.727 4.120 0.000 0.000 0.287 414 V C 0.432 176.484 176.094 -0.069 0.000 1.020 414 V CA -0.832 61.421 62.300 -0.079 0.000 0.850 414 V CB 1.951 33.786 31.823 0.020 0.000 0.987 414 V HN 0.438 nan 8.190 nan 0.000 0.436 415 V N 6.350 126.223 119.914 -0.070 0.000 2.378 415 V HA 0.510 4.630 4.120 0.000 0.000 0.288 415 V C -0.335 175.732 176.094 -0.044 0.000 1.016 415 V CA -0.449 61.817 62.300 -0.057 0.000 0.840 415 V CB 1.662 33.449 31.823 -0.061 0.000 0.994 415 V HN 0.592 nan 8.190 nan 0.000 0.431 416 I N 4.277 124.826 120.570 -0.035 0.000 2.406 416 I HA 0.484 4.654 4.170 0.000 0.000 0.290 416 I C -0.366 175.724 176.117 -0.045 0.000 0.999 416 I CA -0.406 60.869 61.300 -0.041 0.000 1.124 416 I CB 1.623 39.601 38.000 -0.036 0.000 1.289 416 I HN 0.673 nan 8.210 nan 0.000 0.441 417 N N 3.692 122.361 118.700 -0.052 0.000 2.430 417 N HA 0.599 5.339 4.740 0.000 0.000 0.290 417 N C -0.267 175.217 175.510 -0.043 0.000 1.063 417 N CA -0.056 52.969 53.050 -0.041 0.000 0.883 417 N CB 1.669 40.136 38.487 -0.035 0.000 1.465 417 N HN 0.877 nan 8.380 nan 0.000 0.493 418 G N 2.307 111.087 108.800 -0.032 0.000 2.689 418 G HA2 -0.136 3.824 3.960 0.000 0.000 0.273 418 G HA3 -0.136 3.824 3.960 0.000 0.000 0.273 418 G C -1.358 173.521 174.900 -0.035 0.000 1.062 418 G CA -0.089 44.995 45.100 -0.026 0.000 1.279 418 G HN 0.639 nan 8.290 nan 0.000 0.547 419 L N 2.069 123.277 121.223 -0.024 0.000 2.381 419 L HA 0.921 5.261 4.340 0.000 0.000 0.274 419 L C 0.039 176.926 176.870 0.029 0.000 0.988 419 L CA -0.250 54.577 54.840 -0.022 0.000 0.824 419 L CB 2.436 44.468 42.059 -0.044 0.000 1.263 419 L HN 0.535 nan 8.230 nan 0.000 0.410 420 T N 3.509 118.102 114.554 0.064 0.000 2.809 420 T HA 0.801 5.151 4.350 0.000 0.000 0.284 420 T C -0.272 174.536 174.700 0.179 0.000 0.992 420 T CA -0.137 62.032 62.100 0.114 0.000 0.957 420 T CB 0.636 69.568 68.868 0.106 0.000 0.942 420 T HN 0.931 nan 8.240 nan 0.000 0.439 421 G N 3.552 112.488 108.800 0.227 0.000 2.416 421 G HA2 0.604 4.564 3.960 0.000 0.000 0.324 421 G HA3 0.604 4.564 3.960 0.000 0.000 0.324 421 G C -1.938 173.254 174.900 0.488 0.000 1.194 421 G CA -0.565 44.740 45.100 0.342 0.000 0.922 421 G HN 0.739 nan 8.290 nan 0.000 0.467 422 Y N 1.150 121.621 120.300 0.285 0.000 2.421 422 Y HA 0.688 5.238 4.550 0.000 0.000 0.339 422 Y C -0.451 175.374 175.900 -0.125 0.000 0.996 422 Y CA -0.649 57.493 58.100 0.070 0.000 1.046 422 Y CB 2.673 41.157 38.460 0.039 0.000 1.226 422 Y HN 0.686 nan 8.280 nan 0.000 0.445 423 T N 3.432 117.380 114.554 -1.010 0.000 2.900 423 T HA 0.261 4.611 4.350 0.000 0.000 0.303 423 T C -0.716 173.530 174.700 -0.756 0.000 1.142 423 T CA -0.465 61.208 62.100 -0.712 0.000 1.007 423 T CB 1.011 69.388 68.868 -0.819 0.000 1.156 423 T HN 0.765 nan 8.240 nan 0.000 0.490 424 D N 1.317 121.552 120.400 -0.276 0.000 2.431 424 D HA 0.215 4.855 4.640 0.000 0.000 0.213 424 D C -0.184 176.040 176.300 -0.127 0.000 1.130 424 D CA -0.116 53.797 54.000 -0.145 0.000 0.834 424 D CB 0.469 41.308 40.800 0.064 0.000 0.985 424 D HN 0.362 nan 8.370 nan 0.000 0.504 425 D N 0.568 120.871 120.400 -0.162 0.000 2.402 425 D HA 0.242 4.882 4.640 0.000 0.000 0.252 425 D C -2.082 174.147 176.300 -0.119 0.000 1.294 425 D CA -1.941 51.998 54.000 -0.102 0.000 0.948 425 D CB 2.281 43.053 40.800 -0.047 0.000 1.202 425 D HN -0.253 nan 8.370 nan 0.000 0.561 426 P HA -0.013 nan 4.420 nan 0.000 0.225 426 P C 0.763 178.054 177.300 -0.015 0.000 1.148 426 P CA 0.621 63.675 63.100 -0.077 0.000 0.779 426 P CB 0.396 32.060 31.700 -0.061 0.000 0.780 427 N N -1.308 117.386 118.700 -0.010 0.000 2.353 427 N HA 0.110 4.850 4.740 0.000 0.000 0.185 427 N C 1.455 176.985 175.510 0.034 0.000 1.098 427 N CA 0.344 53.403 53.050 0.014 0.000 0.872 427 N CB -0.092 38.400 38.487 0.008 0.000 0.970 427 N HN 0.234 nan 8.380 nan 0.000 0.467 428 L N -0.104 121.141 121.223 0.037 0.000 2.131 428 L HA 0.117 4.457 4.340 0.000 0.000 0.206 428 L C 0.873 177.800 176.870 0.095 0.000 1.087 428 L CA 0.742 55.619 54.840 0.062 0.000 0.767 428 L CB 0.098 42.191 42.059 0.057 0.000 0.917 428 L HN 0.062 nan 8.230 nan 0.000 0.441 429 L N 0.066 121.367 121.223 0.130 0.000 2.372 429 L HA 0.266 4.606 4.340 0.000 0.000 0.273 429 L C 0.439 177.395 176.870 0.143 0.000 0.989 429 L CA -0.120 54.815 54.840 0.158 0.000 0.841 429 L CB 1.493 43.704 42.059 0.252 0.000 1.225 429 L HN 0.014 nan 8.230 nan 0.000 0.414 430 T N -1.446 113.164 114.554 0.094 0.000 3.043 430 T HA 0.187 4.537 4.350 0.000 0.000 0.272 430 T C 0.684 175.417 174.700 0.056 0.000 0.990 430 T CA 0.106 62.250 62.100 0.074 0.000 0.897 430 T CB 0.447 69.349 68.868 0.055 0.000 1.111 430 T HN 0.685 nan 8.240 nan 0.000 0.529 431 E N 1.624 121.855 120.200 0.050 0.000 2.068 431 E HA 0.203 4.553 4.350 0.000 0.000 0.201 431 E C -0.443 176.165 176.600 0.013 0.000 0.947 431 E CA 0.452 56.871 56.400 0.032 0.000 0.909 431 E CB 0.821 30.546 29.700 0.042 0.000 1.015 431 E HN 0.279 nan 8.360 nan 0.000 0.484 432 T N 0.501 115.062 114.554 0.011 0.000 2.921 432 T HA 0.255 4.605 4.350 0.000 0.000 0.297 432 T C 0.594 175.258 174.700 -0.060 0.000 1.013 432 T CA -0.634 61.462 62.100 -0.006 0.000 0.990 432 T CB 2.070 70.968 68.868 0.050 0.000 1.023 432 T HN 0.015 nan 8.240 nan 0.000 0.447 433 V N 2.652 122.481 119.914 -0.140 0.000 2.323 433 V HA 0.061 4.181 4.120 0.000 0.000 0.244 433 V C 0.694 176.665 176.094 -0.205 0.000 1.041 433 V CA 1.001 63.114 62.300 -0.312 0.000 1.025 433 V CB -0.025 31.453 31.823 -0.574 0.000 0.656 433 V HN 0.633 nan 8.190 nan 0.000 0.451 434 V N 0.939 120.781 119.914 -0.120 0.000 2.577 434 V HA 0.600 4.720 4.120 0.000 0.000 0.303 434 V C -0.547 175.533 176.094 -0.024 0.000 1.042 434 V CA -0.294 61.958 62.300 -0.080 0.000 0.872 434 V CB 1.894 33.670 31.823 -0.079 0.000 0.998 434 V HN 0.461 nan 8.190 nan 0.000 0.423 435 S N 3.633 119.319 115.700 -0.024 0.000 2.521 435 S HA 0.860 5.330 4.470 0.000 0.000 0.295 435 S C -1.050 173.528 174.600 -0.037 0.000 1.098 435 S CA -0.793 57.404 58.200 -0.005 0.000 0.999 435 S CB 2.057 65.282 63.200 0.042 0.000 1.034 435 S HN 0.425 nan 8.310 nan 0.000 0.483 436 V N 3.111 122.977 119.914 -0.079 0.000 2.398 436 V HA 0.536 4.656 4.120 0.000 0.000 0.282 436 V C -0.418 175.589 176.094 -0.145 0.000 1.014 436 V CA -0.271 61.988 62.300 -0.069 0.000 0.838 436 V CB 0.515 32.302 31.823 -0.060 0.000 1.018 436 V HN 1.018 nan 8.190 nan 0.000 0.432 437 Q N 2.345 122.084 119.800 -0.101 0.000 2.814 437 Q HA 0.649 4.989 4.340 0.000 0.000 0.322 437 Q C -0.803 175.162 176.000 -0.058 0.000 0.888 437 Q CA -1.307 54.335 55.803 -0.269 0.000 0.768 437 Q CB 2.150 30.540 28.738 -0.580 0.000 1.443 437 Q HN 0.475 nan 8.270 nan 0.000 0.497 438 F N 1.187 121.132 119.950 -0.009 0.000 2.891 438 F HA -0.299 4.228 4.527 0.000 0.000 0.272 438 F C 0.630 176.517 175.800 0.144 0.000 1.004 438 F CA 0.821 58.853 58.000 0.054 0.000 0.938 438 F CB -1.166 37.820 39.000 -0.023 0.000 0.939 438 F HN 0.685 nan 8.300 nan 0.000 0.833 439 R N -2.868 117.750 120.500 0.197 0.000 3.922 439 R HA -0.203 4.137 4.340 0.000 0.000 0.447 439 R C 0.697 177.099 176.300 0.169 0.000 1.035 439 R CA 0.677 56.878 56.100 0.168 0.000 1.289 439 R CB -1.584 28.827 30.300 0.185 0.000 1.906 439 R HN 0.682 nan 8.270 nan 0.000 0.540 440 A N 2.048 124.975 122.820 0.177 0.000 2.540 440 A HA 0.318 4.638 4.320 0.000 0.000 0.239 440 A C 0.649 178.293 177.584 0.101 0.000 1.061 440 A CA 0.628 52.764 52.037 0.165 0.000 0.758 440 A CB 0.117 19.206 19.000 0.149 0.000 0.991 440 A HN 0.410 nan 8.150 nan 0.000 0.502 441 R N 1.833 122.398 120.500 0.108 0.000 2.707 441 R HA 0.550 4.890 4.340 0.000 0.000 0.272 441 R C -0.651 175.653 176.300 0.006 0.000 1.011 441 R CA -0.936 55.211 56.100 0.078 0.000 0.893 441 R CB 0.803 31.185 30.300 0.137 0.000 1.233 441 R HN 0.620 nan 8.270 nan 0.000 0.464 442 N N 0.068 118.755 118.700 -0.022 0.000 2.696 442 N HA -0.156 4.584 4.740 0.000 0.000 0.256 442 N C -1.153 174.256 175.510 -0.168 0.000 1.031 442 N CA 0.992 53.973 53.050 -0.116 0.000 0.730 442 N CB -0.975 37.382 38.487 -0.217 0.000 0.894 442 N HN 0.557 nan 8.380 nan 0.000 0.544 443 C N 0.606 119.855 119.300 -0.085 0.000 2.456 443 C HA 0.632 5.092 4.460 0.000 0.000 0.325 443 C C 0.687 175.645 174.990 -0.053 0.000 1.217 443 C CA -0.331 58.648 59.018 -0.065 0.000 1.687 443 C CB 1.953 29.678 27.740 -0.024 0.000 2.270 443 C HN 0.410 nan 8.230 nan 0.000 0.499 444 S N 2.280 117.950 115.700 -0.050 0.000 2.532 444 S HA 0.735 5.205 4.470 0.000 0.000 0.299 444 S C -1.095 173.485 174.600 -0.033 0.000 1.105 444 S CA -0.445 57.731 58.200 -0.040 0.000 1.018 444 S CB 0.865 64.040 63.200 -0.041 0.000 1.021 444 S HN 0.544 nan 8.310 nan 0.000 0.483 445 L N 3.519 124.723 121.223 -0.030 0.000 2.356 445 L HA 0.622 4.962 4.340 0.000 0.000 0.277 445 L C -0.274 176.581 176.870 -0.025 0.000 0.996 445 L CA -0.542 54.280 54.840 -0.029 0.000 0.822 445 L CB 1.471 43.512 42.059 -0.030 0.000 1.256 445 L HN 0.557 nan 8.230 nan 0.000 0.413 446 N N 2.186 120.871 118.700 -0.024 0.000 2.260 446 N HA 0.411 5.151 4.740 0.000 0.000 0.293 446 N C -0.064 175.436 175.510 -0.016 0.000 1.058 446 N CA 0.207 53.246 53.050 -0.018 0.000 0.824 446 N CB 2.708 41.185 38.487 -0.016 0.000 1.551 446 N HN 0.774 nan 8.380 nan 0.000 0.475 447 G N 1.623 110.418 108.800 -0.009 0.000 2.473 447 G HA2 -0.156 3.804 3.960 0.000 0.000 0.289 447 G HA3 -0.156 3.804 3.960 0.000 0.000 0.289 447 G C -0.894 174.005 174.900 -0.001 0.000 1.084 447 G CA 0.042 45.140 45.100 -0.003 0.000 1.215 447 G HN 0.453 nan 8.290 nan 0.000 0.527 448 V N 0.576 120.493 119.914 0.004 0.000 2.540 448 V HA 0.729 4.849 4.120 0.000 0.000 0.302 448 V C 0.294 176.407 176.094 0.031 0.000 1.035 448 V CA -0.903 61.404 62.300 0.011 0.000 0.873 448 V CB 2.203 34.025 31.823 -0.001 0.000 0.992 448 V HN 0.600 nan 8.190 nan 0.000 0.428 449 V N 6.145 126.091 119.914 0.053 0.000 2.443 449 V HA 0.521 4.641 4.120 0.000 0.000 0.293 449 V C -0.511 175.655 176.094 0.119 0.000 1.021 449 V CA -0.435 61.913 62.300 0.081 0.000 0.848 449 V CB 1.633 33.509 31.823 0.089 0.000 0.998 449 V HN 0.654 nan 8.190 nan 0.000 0.424 450 L N 4.281 125.582 121.223 0.129 0.000 2.325 450 L HA 0.715 5.055 4.340 0.000 0.000 0.281 450 L C -0.145 176.876 176.870 0.251 0.000 1.004 450 L CA -0.125 54.837 54.840 0.204 0.000 0.823 450 L CB 2.111 44.227 42.059 0.096 0.000 1.236 450 L HN 0.577 nan 8.230 nan 0.000 0.415 451 T N 1.344 116.065 114.554 0.279 0.000 2.879 451 T HA 0.570 4.920 4.350 0.000 0.000 0.290 451 T C 0.667 175.182 174.700 -0.309 0.000 0.993 451 T CA 0.215 62.341 62.100 0.043 0.000 0.975 451 T CB 1.776 70.675 68.868 0.051 0.000 0.981 451 T HN 0.944 nan 8.240 nan 0.000 0.439 452 G N 2.074 110.709 108.800 -0.276 0.000 2.179 452 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 452 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 452 G C 0.174 174.800 174.900 -0.456 0.000 0.990 452 G CA -0.600 44.213 45.100 -0.479 0.000 0.646 452 G HN 0.666 nan 8.290 nan 0.000 0.517 453 F N 2.995 122.885 119.950 -0.100 0.000 2.705 453 F HA 0.363 4.890 4.527 0.000 0.000 0.355 453 F C 1.955 177.732 175.800 -0.039 0.000 1.172 453 F CA 0.473 58.440 58.000 -0.056 0.000 1.332 453 F CB 0.345 39.328 39.000 -0.028 0.000 1.621 453 F HN 0.217 nan 8.300 nan 0.000 0.605 454 S N -1.605 114.108 115.700 0.020 0.000 2.607 454 S HA -0.085 4.385 4.470 0.000 0.000 0.224 454 S C 1.293 175.896 174.600 0.006 0.000 0.969 454 S CA 0.438 58.638 58.200 -0.000 0.000 0.927 454 S CB -0.225 62.946 63.200 -0.049 0.000 0.772 454 S HN 0.440 nan 8.310 nan 0.000 0.533 455 N N 1.861 120.580 118.700 0.032 0.000 2.291 455 N HA 0.180 4.920 4.740 0.000 0.000 0.244 455 N C -0.515 175.030 175.510 0.058 0.000 1.216 455 N CA -0.080 52.987 53.050 0.030 0.000 0.879 455 N CB 0.893 39.390 38.487 0.016 0.000 1.167 455 N HN 0.492 nan 8.380 nan 0.000 0.515 456 S N -1.166 114.588 115.700 0.090 0.000 2.585 456 S HA 0.306 4.776 4.470 0.000 0.000 0.277 456 S C 1.143 175.784 174.600 0.069 0.000 1.241 456 S CA -0.540 57.712 58.200 0.087 0.000 1.041 456 S CB 2.275 65.540 63.200 0.109 0.000 0.987 456 S HN 0.107 nan 8.310 nan 0.000 0.512 457 E N 2.063 122.295 120.200 0.054 0.000 2.046 457 E HA -0.012 4.338 4.350 0.000 0.000 0.190 457 E C -0.175 176.488 176.600 0.106 0.000 0.982 457 E CA 1.207 57.649 56.400 0.071 0.000 0.800 457 E CB 0.103 29.819 29.700 0.027 0.000 0.756 457 E HN 0.747 nan 8.360 nan 0.000 0.449 458 N N -0.987 117.735 118.700 0.038 0.000 2.258 458 N HA 0.259 4.999 4.740 0.000 0.000 0.299 458 N C 0.210 175.739 175.510 0.031 0.000 1.047 458 N CA 0.243 53.315 53.050 0.037 0.000 0.814 458 N CB 1.826 40.264 38.487 -0.081 0.000 1.413 458 N HN 0.163 nan 8.380 nan 0.000 0.478 459 G N 1.363 110.194 108.800 0.053 0.000 2.499 459 G HA2 0.116 4.076 3.960 0.000 0.000 0.213 459 G HA3 0.116 4.076 3.960 0.000 0.000 0.213 459 G C 0.400 175.290 174.900 -0.016 0.000 1.230 459 G CA 0.505 45.608 45.100 0.004 0.000 0.813 459 G HN 0.528 nan 8.290 nan 0.000 0.542 460 I N -0.453 120.132 120.570 0.024 0.000 2.433 460 I HA 0.391 4.561 4.170 0.000 0.000 0.292 460 I C -1.567 174.622 176.117 0.120 0.000 1.001 460 I CA -0.943 60.378 61.300 0.034 0.000 1.119 460 I CB 2.277 40.281 38.000 0.007 0.000 1.289 460 I HN 0.096 nan 8.210 nan 0.000 0.438 461 Y N 6.730 126.995 120.300 -0.059 0.000 2.361 461 Y HA 0.681 5.231 4.550 0.000 0.000 0.337 461 Y C -1.229 174.623 175.900 -0.080 0.000 0.965 461 Y CA -1.186 56.872 58.100 -0.071 0.000 1.091 461 Y CB 1.591 40.008 38.460 -0.072 0.000 1.182 461 Y HN 0.208 nan 8.280 nan 0.000 0.450 462 V N 7.679 127.394 119.914 -0.333 0.000 2.588 462 V HA 0.580 4.700 4.120 0.000 0.000 0.304 462 V C -0.491 175.295 176.094 -0.513 0.000 1.042 462 V CA -0.836 61.250 62.300 -0.357 0.000 0.877 462 V CB 1.909 33.633 31.823 -0.164 0.000 0.996 462 V HN 0.656 nan 8.190 nan 0.000 0.425 463 I N 2.655 122.939 120.570 -0.477 0.000 2.647 463 I HA 0.821 4.991 4.170 0.000 0.000 0.295 463 I C 0.565 176.533 176.117 -0.248 0.000 1.078 463 I CA -0.337 60.720 61.300 -0.405 0.000 1.048 463 I CB 2.447 40.129 38.000 -0.531 0.000 1.239 463 I HN 0.765 nan 8.210 nan 0.000 0.421 464 G N 1.999 110.698 108.800 -0.170 0.000 3.251 464 G HA2 0.615 4.575 3.960 0.000 0.000 0.248 464 G HA3 0.615 4.575 3.960 0.000 0.000 0.248 464 G C -0.038 174.819 174.900 -0.072 0.000 1.320 464 G CA -0.386 44.655 45.100 -0.099 0.000 0.982 464 G HN 0.753 nan 8.290 nan 0.000 0.575 465 G N -1.378 107.401 108.800 -0.034 0.000 4.299 465 G HA2 0.389 4.349 3.960 0.000 0.000 0.290 465 G HA3 0.389 4.349 3.960 0.000 0.000 0.290 465 G C 0.319 175.214 174.900 -0.008 0.000 1.019 465 G CA 0.980 46.070 45.100 -0.016 0.000 0.790 465 G HN 1.305 nan 8.290 nan 0.000 0.452 466 S N -0.363 115.329 115.700 -0.013 0.000 3.614 466 S HA -0.185 4.285 4.470 0.000 0.000 0.360 466 S C 0.837 175.439 174.600 0.002 0.000 1.023 466 S CA 0.728 58.925 58.200 -0.006 0.000 1.114 466 S CB -0.947 62.250 63.200 -0.006 0.000 0.907 466 S HN 0.718 nan 8.310 nan 0.000 0.470 467 R N 0.798 121.302 120.500 0.008 0.000 2.410 467 R HA 0.463 4.803 4.340 0.000 0.000 0.288 467 R C 1.074 177.385 176.300 0.018 0.000 1.051 467 R CA 0.201 56.310 56.100 0.016 0.000 1.021 467 R CB 0.713 31.029 30.300 0.027 0.000 1.032 467 R HN 0.326 nan 8.270 nan 0.000 0.481 468 G N -0.059 108.750 108.800 0.015 0.000 2.441 468 G HA2 0.351 4.311 3.960 0.000 0.000 0.243 468 G HA3 0.351 4.311 3.960 0.000 0.000 0.243 468 G C 0.827 175.742 174.900 0.026 0.000 1.281 468 G CA 0.265 45.374 45.100 0.015 0.000 0.854 468 G HN 0.771 nan 8.290 nan 0.000 0.560 469 G N 1.289 110.106 108.800 0.029 0.000 2.162 469 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 469 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 469 G C 0.342 175.281 174.900 0.066 0.000 0.976 469 G CA 0.562 45.689 45.100 0.045 0.000 0.655 469 G HN 0.929 nan 8.290 nan 0.000 0.533 470 D N 0.641 121.073 120.400 0.052 0.000 2.329 470 D HA 0.760 5.400 4.640 0.000 0.000 0.246 470 D C 0.298 176.616 176.300 0.030 0.000 1.111 470 D CA 0.852 54.884 54.000 0.053 0.000 0.941 470 D CB 1.298 42.122 40.800 0.039 0.000 1.169 470 D HN 1.157 nan 8.370 nan 0.000 0.441 471 A N 1.351 124.181 122.820 0.018 0.000 2.594 471 A HA 0.531 4.851 4.320 0.000 0.000 0.296 471 A C -1.742 175.832 177.584 -0.016 0.000 1.061 471 A CA -0.662 51.375 52.037 0.000 0.000 0.689 471 A CB 1.502 20.505 19.000 0.004 0.000 1.280 471 A HN 0.408 nan 8.150 nan 0.000 0.406 472 V N 1.790 121.689 119.914 -0.024 0.000 2.577 472 V HA 0.703 4.823 4.120 0.000 0.000 0.303 472 V C -0.951 175.124 176.094 -0.031 0.000 1.042 472 V CA -0.551 61.729 62.300 -0.033 0.000 0.872 472 V CB 1.636 33.433 31.823 -0.042 0.000 0.998 472 V HN 1.113 nan 8.190 nan 0.000 0.423 473 N N 6.162 124.844 118.700 -0.031 0.000 2.417 473 N HA 0.629 5.369 4.740 0.000 0.000 0.274 473 N C -1.235 174.258 175.510 -0.029 0.000 0.987 473 N CA -0.461 52.573 53.050 -0.027 0.000 0.912 473 N CB 1.379 39.854 38.487 -0.020 0.000 1.177 473 N HN 0.677 nan 8.380 nan 0.000 0.490 474 I N 2.655 123.206 120.570 -0.031 0.000 2.439 474 I HA 0.358 4.528 4.170 0.000 0.000 0.285 474 I C -0.670 175.430 176.117 -0.028 0.000 1.021 474 I CA -0.585 60.697 61.300 -0.030 0.000 1.091 474 I CB 1.549 39.530 38.000 -0.033 0.000 1.242 474 I HN 0.619 nan 8.210 nan 0.000 0.439 475 S N 4.167 119.854 115.700 -0.022 0.000 2.546 475 S HA 0.534 5.004 4.470 0.000 0.000 0.274 475 S C -0.418 174.174 174.600 -0.012 0.000 1.121 475 S CA -0.842 57.348 58.200 -0.017 0.000 0.887 475 S CB 1.892 65.085 63.200 -0.011 0.000 1.094 475 S HN 0.653 nan 8.310 nan 0.000 0.474 476 N N -0.298 118.397 118.700 -0.009 0.000 2.681 476 N HA -0.103 4.637 4.740 0.000 0.000 0.259 476 N C -1.163 174.346 175.510 -0.001 0.000 1.066 476 N CA 0.628 53.676 53.050 -0.003 0.000 0.717 476 N CB -1.333 37.153 38.487 -0.001 0.000 0.885 476 N HN 0.655 nan 8.380 nan 0.000 0.547 477 V N 0.364 120.276 119.914 -0.003 0.000 2.540 477 V HA 0.611 4.731 4.120 0.000 0.000 0.302 477 V C 0.549 176.650 176.094 0.011 0.000 1.035 477 V CA -0.447 61.855 62.300 0.003 0.000 0.873 477 V CB 2.258 34.077 31.823 -0.007 0.000 0.992 477 V HN 0.358 nan 8.190 nan 0.000 0.428 478 T N 6.067 120.637 114.554 0.027 0.000 2.861 478 T HA 0.741 5.091 4.350 0.000 0.000 0.287 478 T C -1.161 173.576 174.700 0.062 0.000 1.003 478 T CA -0.368 61.757 62.100 0.041 0.000 0.977 478 T CB 0.789 69.683 68.868 0.043 0.000 0.996 478 T HN 0.454 nan 8.240 nan 0.000 0.448 479 L N 4.806 126.076 121.223 0.078 0.000 2.356 479 L HA 0.551 4.891 4.340 0.000 0.000 0.277 479 L C -0.054 176.890 176.870 0.124 0.000 0.996 479 L CA -0.897 54.009 54.840 0.110 0.000 0.822 479 L CB 1.825 43.959 42.059 0.126 0.000 1.256 479 L HN 0.635 nan 8.230 nan 0.000 0.413 480 N N 3.391 122.160 118.700 0.114 0.000 2.558 480 N HA 0.224 4.964 4.740 0.000 0.000 0.242 480 N C -0.438 175.109 175.510 0.062 0.000 0.979 480 N CA -0.369 52.730 53.050 0.082 0.000 0.931 480 N CB 0.379 38.905 38.487 0.065 0.000 1.122 480 N HN 0.526 nan 8.380 nan 0.000 0.508 481 N N 1.293 120.022 118.700 0.048 0.000 2.714 481 N HA -0.175 4.565 4.740 0.000 0.000 0.252 481 N C -1.317 174.231 175.510 0.063 0.000 1.014 481 N CA 0.908 53.963 53.050 0.007 0.000 0.735 481 N CB -1.065 37.399 38.487 -0.038 0.000 0.924 481 N HN 0.356 nan 8.380 nan 0.000 0.540 482 S N 0.073 115.858 115.700 0.140 0.000 2.664 482 S HA 0.653 5.123 4.470 0.000 0.000 0.262 482 S C 0.519 175.230 174.600 0.186 0.000 1.229 482 S CA -0.146 58.179 58.200 0.209 0.000 1.151 482 S CB 1.733 65.103 63.200 0.282 0.000 1.054 482 S HN 0.803 nan 8.310 nan 0.000 0.483 483 G N 2.524 111.418 108.800 0.158 0.000 3.444 483 G HA2 -0.125 3.835 3.960 0.000 0.000 0.685 483 G HA3 -0.125 3.835 3.960 0.000 0.000 0.685 483 G C 0.174 175.190 174.900 0.193 0.000 1.145 483 G CA -0.976 44.217 45.100 0.155 0.000 0.973 483 G HN 0.571 nan 8.290 nan 0.000 0.525 484 R N 0.482 121.048 120.500 0.110 0.000 2.105 484 R HA -0.089 4.251 4.340 0.000 0.000 0.239 484 R C 0.331 176.621 176.300 -0.016 0.000 1.135 484 R CA 1.390 57.502 56.100 0.019 0.000 0.967 484 R CB -0.004 30.269 30.300 -0.045 0.000 0.861 484 R HN 0.583 nan 8.270 nan 0.000 0.442 485 Y N -0.653 119.714 120.300 0.111 0.000 2.342 485 Y HA 0.233 4.783 4.550 0.000 0.000 0.338 485 Y C 1.329 177.250 175.900 0.036 0.000 0.965 485 Y CA -0.609 57.526 58.100 0.058 0.000 1.159 485 Y CB 1.751 40.199 38.460 -0.021 0.000 1.157 485 Y HN 0.013 nan 8.280 nan 0.000 0.486 486 G N 2.286 111.125 108.800 0.065 0.000 2.434 486 G HA2 -0.047 3.913 3.960 0.000 0.000 0.214 486 G HA3 -0.047 3.913 3.960 0.000 0.000 0.214 486 G C -0.082 174.833 174.900 0.026 0.000 1.202 486 G CA 0.577 45.679 45.100 0.004 0.000 0.788 486 G HN 0.382 nan 8.290 nan 0.000 0.539 487 V N 0.414 120.333 119.914 0.010 0.000 2.409 487 V HA 0.568 4.688 4.120 0.000 0.000 0.290 487 V C -0.621 175.510 176.094 0.061 0.000 1.017 487 V CA -0.711 61.605 62.300 0.027 0.000 0.841 487 V CB 1.565 33.380 31.823 -0.013 0.000 1.003 487 V HN 0.252 nan 8.190 nan 0.000 0.426 488 S N 6.254 122.015 115.700 0.102 0.000 2.498 488 S HA 0.711 5.181 4.470 0.000 0.000 0.317 488 S C -0.708 173.994 174.600 0.170 0.000 1.090 488 S CA -0.614 57.653 58.200 0.112 0.000 1.089 488 S CB 0.497 63.700 63.200 0.006 0.000 0.997 488 S HN 0.483 nan 8.310 nan 0.000 0.470 489 I N 4.809 125.421 120.570 0.071 0.000 2.354 489 I HA 0.449 4.619 4.170 0.000 0.000 0.292 489 I C 1.090 177.212 176.117 0.009 0.000 0.989 489 I CA -0.422 60.882 61.300 0.006 0.000 1.188 489 I CB 0.650 38.635 38.000 -0.025 0.000 1.342 489 I HN 0.745 nan 8.210 nan 0.000 0.457 490 G N 4.366 113.130 108.800 -0.059 0.000 2.736 490 G HA2 0.470 4.430 3.960 0.000 0.000 0.229 490 G HA3 0.470 4.430 3.960 0.000 0.000 0.229 490 G C -0.033 174.825 174.900 -0.070 0.000 1.380 490 G CA -0.328 44.748 45.100 -0.040 0.000 1.040 490 G HN 0.654 nan 8.290 nan 0.000 0.568 491 S N -1.846 113.814 115.700 -0.067 0.000 2.589 491 S HA 0.424 4.894 4.470 0.000 0.000 0.265 491 S C 1.358 175.913 174.600 -0.075 0.000 1.342 491 S CA 0.778 58.944 58.200 -0.056 0.000 1.005 491 S CB 0.856 64.031 63.200 -0.041 0.000 0.909 491 S HN 2.436 nan 8.310 nan 0.000 0.555 492 G N 0.125 108.894 108.800 -0.051 0.000 2.162 492 G HA2 -0.192 3.768 3.960 0.000 0.000 0.260 492 G HA3 -0.192 3.768 3.960 0.000 0.000 0.260 492 G C -0.027 174.845 174.900 -0.047 0.000 0.976 492 G CA 0.216 45.288 45.100 -0.047 0.000 0.655 492 G HN 0.712 nan 8.290 nan 0.000 0.533 493 I N 1.087 121.626 120.570 -0.051 0.000 2.307 493 I HA 0.330 4.500 4.170 0.000 0.000 0.289 493 I C 0.673 176.772 176.117 -0.030 0.000 1.021 493 I CA -0.423 60.850 61.300 -0.046 0.000 1.224 493 I CB 1.369 39.333 38.000 -0.061 0.000 1.376 493 I HN 0.002 nan 8.210 nan 0.000 0.470 494 E N 3.797 123.985 120.200 -0.021 0.000 2.389 494 E HA 0.150 4.500 4.350 0.000 0.000 0.199 494 E C 0.000 176.593 176.600 -0.011 0.000 0.978 494 E CA 0.451 56.843 56.400 -0.013 0.000 0.912 494 E CB 0.631 30.328 29.700 -0.006 0.000 0.907 494 E HN 0.518 nan 8.360 nan 0.000 0.494 495 N N 1.094 119.787 118.700 -0.012 0.000 2.623 495 N HA 0.212 4.952 4.740 0.000 0.000 0.256 495 N C -0.783 174.716 175.510 -0.018 0.000 1.045 495 N CA -0.059 52.986 53.050 -0.009 0.000 0.863 495 N CB 2.513 41.001 38.487 0.002 0.000 1.182 495 N HN -0.159 nan 8.380 nan 0.000 0.523 496 V N -0.876 119.021 119.914 -0.028 0.000 2.709 496 V HA 0.641 4.761 4.120 0.000 0.000 0.308 496 V C -0.042 176.024 176.094 -0.046 0.000 1.062 496 V CA -0.790 61.487 62.300 -0.038 0.000 0.901 496 V CB 1.888 33.683 31.823 -0.047 0.000 1.003 496 V HN 0.394 nan 8.190 nan 0.000 0.425 497 S N 4.207 119.881 115.700 -0.044 0.000 2.498 497 S HA 0.810 5.280 4.470 0.000 0.000 0.317 497 S C -0.838 173.725 174.600 -0.060 0.000 1.090 497 S CA -0.539 57.628 58.200 -0.055 0.000 1.089 497 S CB 0.598 63.784 63.200 -0.024 0.000 0.997 497 S HN 0.716 nan 8.310 nan 0.000 0.470 498 I N 4.855 125.374 120.570 -0.086 0.000 2.448 498 I HA 0.338 4.508 4.170 0.000 0.000 0.281 498 I C -0.373 175.692 176.117 -0.087 0.000 1.027 498 I CA -0.330 60.924 61.300 -0.077 0.000 1.111 498 I CB 1.997 39.948 38.000 -0.080 0.000 1.236 498 I HN 0.681 nan 8.210 nan 0.000 0.452 499 T N 1.349 115.866 114.554 -0.061 0.000 2.886 499 T HA 0.454 4.804 4.350 0.000 0.000 0.292 499 T C -0.193 174.486 174.700 -0.035 0.000 1.012 499 T CA -0.838 61.230 62.100 -0.053 0.000 0.982 499 T CB 1.581 70.430 68.868 -0.032 0.000 1.018 499 T HN 0.494 nan 8.240 nan 0.000 0.451 500 N N 1.370 120.051 118.700 -0.032 0.000 2.648 500 N HA -0.106 4.634 4.740 0.000 0.000 0.265 500 N C -0.892 174.605 175.510 -0.021 0.000 1.100 500 N CA 0.418 53.457 53.050 -0.019 0.000 0.715 500 N CB -1.100 37.383 38.487 -0.007 0.000 0.881 500 N HN 0.699 nan 8.380 nan 0.000 0.548 501 I N 0.223 120.775 120.570 -0.031 0.000 2.404 501 I HA 0.412 4.582 4.170 0.000 0.000 0.293 501 I C 0.846 176.945 176.117 -0.030 0.000 0.992 501 I CA -0.656 60.624 61.300 -0.033 0.000 1.149 501 I CB 1.645 39.613 38.000 -0.053 0.000 1.315 501 I HN 0.286 nan 8.210 nan 0.000 0.446 502 S N 3.588 119.280 115.700 -0.013 0.000 2.570 502 S HA 0.977 5.447 4.470 0.000 0.000 0.286 502 S C -0.414 174.200 174.600 0.023 0.000 1.099 502 S CA -0.761 57.440 58.200 0.002 0.000 0.913 502 S CB 2.609 65.820 63.200 0.018 0.000 1.085 502 S HN 0.976 nan 8.310 nan 0.000 0.480 503 G N 0.548 109.382 108.800 0.057 0.000 2.733 503 G HA2 0.636 4.596 3.960 0.000 0.000 0.297 503 G HA3 0.636 4.596 3.960 0.000 0.000 0.297 503 G C -1.608 173.434 174.900 0.237 0.000 1.422 503 G CA -0.824 44.371 45.100 0.158 0.000 0.942 503 G HN 0.784 nan 8.290 nan 0.000 0.510 504 I N 1.437 122.135 120.570 0.214 0.000 2.362 504 I HA 0.485 4.655 4.170 0.000 0.000 0.289 504 I C 1.040 177.173 176.117 0.027 0.000 0.994 504 I CA -0.630 60.741 61.300 0.119 0.000 1.158 504 I CB 2.348 40.383 38.000 0.058 0.000 1.315 504 I HN 0.667 nan 8.210 nan 0.000 0.451 505 G N 3.149 111.847 108.800 -0.169 0.000 3.228 505 G HA2 -0.020 3.940 3.960 0.000 0.000 0.245 505 G HA3 -0.020 3.940 3.960 0.000 0.000 0.245 505 G C 0.731 175.433 174.900 -0.330 0.000 1.051 505 G CA -0.062 44.709 45.100 -0.549 0.000 0.809 505 G HN 0.714 nan 8.290 nan 0.000 0.531 506 D N 0.385 120.682 120.400 -0.172 0.000 2.264 506 D HA 0.020 4.660 4.640 0.000 0.000 0.208 506 D C 2.025 178.262 176.300 -0.105 0.000 0.966 506 D CA 1.011 54.939 54.000 -0.120 0.000 0.864 506 D CB -0.431 40.327 40.800 -0.068 0.000 0.933 506 D HN 0.170 nan 8.370 nan 0.000 0.499 507 G N -0.297 108.441 108.800 -0.102 0.000 3.088 507 G HA2 0.231 4.191 3.960 0.000 0.000 0.217 507 G HA3 0.231 4.191 3.960 0.000 0.000 0.217 507 G C 0.488 175.332 174.900 -0.094 0.000 1.159 507 G CA -0.414 44.637 45.100 -0.082 0.000 0.760 507 G HN 0.235 nan 8.290 nan 0.000 0.550 508 I N 0.895 121.384 120.570 -0.135 0.000 2.519 508 I HA 0.072 4.242 4.170 0.000 0.000 0.287 508 I C 0.323 176.373 176.117 -0.112 0.000 1.047 508 I CA -0.498 60.723 61.300 -0.131 0.000 1.381 508 I CB 1.342 39.218 38.000 -0.207 0.000 1.417 508 I HN 0.025 nan 8.210 nan 0.000 0.540 509 N N 4.524 123.178 118.700 -0.077 0.000 2.400 509 N HA -0.016 4.724 4.740 0.000 0.000 0.267 509 N C -0.434 175.034 175.510 -0.069 0.000 1.208 509 N CA 0.055 53.069 53.050 -0.061 0.000 0.951 509 N CB 0.271 38.736 38.487 -0.037 0.000 1.227 509 N HN 0.728 nan 8.380 nan 0.000 0.488 510 S N 1.541 117.193 115.700 -0.081 0.000 3.697 510 S HA -0.093 4.377 4.470 0.000 0.000 0.388 510 S C -2.424 172.105 174.600 -0.119 0.000 0.941 510 S CA -0.183 57.966 58.200 -0.085 0.000 1.247 510 S CB -1.247 61.920 63.200 -0.055 0.000 0.904 510 S HN 0.688 nan 8.310 nan 0.000 0.518 511 P HA 0.310 nan 4.420 nan 0.000 0.272 511 P C 0.630 177.830 177.300 -0.166 0.000 1.223 511 P CA -0.336 62.631 63.100 -0.220 0.000 0.784 511 P CB 0.981 32.412 31.700 -0.449 0.000 0.923 512 V N 0.794 120.595 119.914 -0.188 0.000 3.001 512 V HA 0.459 4.579 4.120 0.000 0.000 0.228 512 V C 0.762 176.795 176.094 -0.102 0.000 1.204 512 V CA 1.265 63.398 62.300 -0.278 0.000 1.247 512 V CB -0.304 31.054 31.823 -0.775 0.000 1.093 512 V HN 0.791 nan 8.190 nan 0.000 0.504 513 A N -0.703 122.054 122.820 -0.106 0.000 2.547 513 A HA 0.634 4.954 4.320 0.000 0.000 0.297 513 A C -0.144 177.270 177.584 -0.283 0.000 1.056 513 A CA -0.303 51.707 52.037 -0.046 0.000 0.688 513 A CB 1.576 20.584 19.000 0.013 0.000 1.282 513 A HN 0.173 nan 8.150 nan 0.000 0.400 514 L N 2.494 123.369 121.223 -0.581 0.000 2.017 514 L HA 0.125 4.465 4.340 0.000 0.000 0.208 514 L C 0.180 176.859 176.870 -0.319 0.000 1.073 514 L CA 2.233 56.574 54.840 -0.832 0.000 0.745 514 L CB 0.008 41.699 42.059 -0.614 0.000 0.894 514 L HN 0.529 nan 8.230 nan 0.000 0.432 515 V N -0.556 119.270 119.914 -0.146 0.000 2.638 515 V HA 0.549 4.669 4.120 0.000 0.000 0.306 515 V C -0.631 175.487 176.094 0.041 0.000 1.052 515 V CA -0.345 61.931 62.300 -0.041 0.000 0.885 515 V CB 1.537 33.327 31.823 -0.056 0.000 0.999 515 V HN 0.205 nan 8.190 nan 0.000 0.424 516 S N 2.998 118.746 115.700 0.080 0.000 2.547 516 S HA 0.851 5.321 4.470 0.000 0.000 0.281 516 S C -0.528 174.094 174.600 0.037 0.000 1.118 516 S CA -0.056 58.201 58.200 0.094 0.000 0.947 516 S CB 1.883 65.187 63.200 0.173 0.000 1.053 516 S HN 1.143 nan 8.310 nan 0.000 0.482 517 T N 2.729 117.299 114.554 0.028 0.000 2.900 517 T HA 0.569 4.919 4.350 0.000 0.000 0.295 517 T C 0.911 175.616 174.700 0.008 0.000 1.044 517 T CA -0.913 61.191 62.100 0.008 0.000 0.995 517 T CB 0.929 69.793 68.868 -0.008 0.000 1.072 517 T HN 0.394 nan 8.240 nan 0.000 0.473 518 I N 0.979 121.549 120.570 -0.001 0.000 2.339 518 I HA 0.089 4.259 4.170 0.000 0.000 0.245 518 I C 1.035 177.151 176.117 -0.000 0.000 1.096 518 I CA 0.495 61.794 61.300 -0.001 0.000 1.408 518 I CB -1.045 36.951 38.000 -0.007 0.000 1.092 518 I HN 0.654 nan 8.210 nan 0.000 0.423 519 N N 1.369 120.064 118.700 -0.008 0.000 2.467 519 N HA 0.019 4.759 4.740 0.000 0.000 0.262 519 N C 1.308 176.815 175.510 -0.004 0.000 1.234 519 N CA 0.340 53.386 53.050 -0.007 0.000 0.952 519 N CB 0.996 39.475 38.487 -0.014 0.000 1.158 519 N HN 0.117 nan 8.380 nan 0.000 0.463 520 S N -0.269 115.431 115.700 0.000 0.000 2.496 520 S HA -0.065 4.405 4.470 0.000 0.000 0.224 520 S C 0.580 175.174 174.600 -0.009 0.000 0.996 520 S CA 0.117 58.320 58.200 0.006 0.000 0.927 520 S CB -0.252 62.957 63.200 0.014 0.000 0.774 520 S HN 0.683 nan 8.310 nan 0.000 0.524 521 N N 1.683 120.373 118.700 -0.018 0.000 2.610 521 N HA 0.333 5.073 4.740 0.000 0.000 0.309 521 N C -3.128 172.354 175.510 -0.046 0.000 1.536 521 N CA -1.777 51.256 53.050 -0.029 0.000 0.954 521 N CB 0.238 38.717 38.487 -0.012 0.000 1.310 521 N HN 0.261 nan 8.380 nan 0.000 0.502 522 P HA 0.163 nan 4.420 nan 0.000 0.274 522 P C -0.484 176.741 177.300 -0.125 0.000 1.231 522 P CA 0.056 63.107 63.100 -0.081 0.000 0.790 522 P CB 1.426 33.077 31.700 -0.082 0.000 0.951 523 E N 1.815 121.932 120.200 -0.139 0.000 2.200 523 E HA 0.489 4.839 4.350 0.000 0.000 0.283 523 E C -0.282 176.152 176.600 -0.276 0.000 1.015 523 E CA -0.423 55.831 56.400 -0.244 0.000 0.819 523 E CB 0.792 30.372 29.700 -0.200 0.000 1.081 523 E HN 0.406 nan 8.360 nan 0.000 0.397 524 I N 2.003 122.349 120.570 -0.373 0.000 2.656 524 I HA 0.295 4.465 4.170 0.000 0.000 0.292 524 I C -0.498 175.418 176.117 -0.334 0.000 1.144 524 I CA -0.557 60.570 61.300 -0.289 0.000 1.038 524 I CB 2.130 39.992 38.000 -0.229 0.000 1.244 524 I HN 0.530 nan 8.210 nan 0.000 0.420 525 S N 2.510 118.075 115.700 -0.226 0.000 2.588 525 S HA 0.738 5.208 4.470 0.000 0.000 0.269 525 S C 0.012 174.560 174.600 -0.088 0.000 1.157 525 S CA -0.097 58.008 58.200 -0.159 0.000 0.824 525 S CB 1.788 64.906 63.200 -0.136 0.000 1.126 525 S HN 1.529 nan 8.310 nan 0.000 0.464 526 G N 0.707 109.475 108.800 -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 -0.306 174.574 174.900 -0.034 0.000 1.067 526 G CA 0.268 45.350 45.100 -0.030 0.000 0.902 526 G HN 0.967 nan 8.290 nan 0.000 0.500 527 L N 0.227 121.424 121.223 -0.042 0.000 2.312 527 L HA 0.719 5.059 4.340 0.000 0.000 0.281 527 L C 0.591 177.448 176.870 -0.022 0.000 1.070 527 L CA -0.358 54.457 54.840 -0.041 0.000 0.805 527 L CB 1.877 43.904 42.059 -0.053 0.000 1.174 527 L HN 0.263 nan 8.230 nan 0.000 0.434 528 S N 1.884 117.574 115.700 -0.017 0.000 2.619 528 S HA 0.625 5.095 4.470 0.000 0.000 0.280 528 S C -1.035 173.573 174.600 0.013 0.000 1.150 528 S CA -0.384 57.817 58.200 0.003 0.000 0.978 528 S CB 1.763 64.969 63.200 0.009 0.000 1.041 528 S HN 0.650 nan 8.310 nan 0.000 0.485 529 S N 4.029 119.750 115.700 0.034 0.000 2.556 529 S HA 0.820 5.290 4.470 0.000 0.000 0.271 529 S C -1.596 173.062 174.600 0.097 0.000 1.135 529 S CA -0.667 57.581 58.200 0.080 0.000 0.858 529 S CB 1.368 64.610 63.200 0.071 0.000 1.114 529 S HN 0.835 nan 8.310 nan 0.000 0.468 530 I N 2.289 122.938 120.570 0.132 0.000 2.656 530 I HA 0.607 4.777 4.170 0.000 0.000 0.292 530 I C 0.700 176.866 176.117 0.080 0.000 1.144 530 I CA 0.514 61.865 61.300 0.085 0.000 1.038 530 I CB 1.603 39.632 38.000 0.048 0.000 1.244 530 I HN 1.063 nan 8.210 nan 0.000 0.420 531 G N 4.341 113.159 108.800 0.028 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 -0.463 174.346 174.900 -0.151 0.000 0.977 531 G CA 0.131 45.192 45.100 -0.066 0.000 0.641 531 G HN 0.555 nan 8.290 nan 0.000 0.533 532 Y N 0.290 120.573 120.300 -0.029 0.000 2.328 532 Y HA 0.463 5.013 4.550 0.000 0.000 0.337 532 Y C -0.803 175.073 175.900 -0.040 0.000 1.008 532 Y CA -1.717 56.357 58.100 -0.044 0.000 1.129 532 Y CB 1.753 40.189 38.460 -0.040 0.000 1.185 532 Y HN -0.046 nan 8.280 nan 0.000 0.476 533 P HA -0.075 nan 4.420 nan 0.000 0.218 533 P C -0.191 177.137 177.300 0.046 0.000 1.149 533 P CA 1.357 64.478 63.100 0.035 0.000 0.817 533 P CB 0.353 32.053 31.700 -0.001 0.000 0.785 534 T N -1.419 113.174 114.554 0.066 0.000 2.863 534 T HA 0.305 4.655 4.350 0.000 0.000 0.285 534 T C 1.099 175.827 174.700 0.046 0.000 1.009 534 T CA -0.613 61.514 62.100 0.045 0.000 0.989 534 T CB 2.412 71.298 68.868 0.030 0.000 1.004 534 T HN -0.381 nan 8.240 nan 0.000 0.455 535 V N 1.150 121.084 119.914 0.033 0.000 2.326 535 V HA 0.369 4.489 4.120 0.000 0.000 0.238 535 V C 1.078 177.162 176.094 -0.017 0.000 1.038 535 V CA 0.887 63.185 62.300 -0.004 0.000 1.032 535 V CB -0.369 31.464 31.823 0.016 0.000 0.675 535 V HN 0.968 nan 8.190 nan 0.000 0.467 536 A N 0.523 123.372 122.820 0.048 0.000 2.330 536 A HA 0.730 5.050 4.320 0.000 0.000 0.313 536 A C -0.239 177.422 177.584 0.129 0.000 1.124 536 A CA -0.527 51.551 52.037 0.068 0.000 0.774 536 A CB 0.909 19.944 19.000 0.058 0.000 1.198 536 A HN 0.352 nan 8.150 nan 0.000 0.465 537 R N 2.755 123.319 120.500 0.108 0.000 2.275 537 R HA 0.551 4.891 4.340 0.000 0.000 0.326 537 R C -1.752 174.615 176.300 0.113 0.000 0.973 537 R CA -0.218 55.954 56.100 0.119 0.000 0.854 537 R CB 0.965 31.334 30.300 0.114 0.000 1.156 537 R HN 0.442 nan 8.270 nan 0.000 0.487 538 V N 4.361 124.365 119.914 0.150 0.000 2.328 538 V HA 0.350 4.470 4.120 0.000 0.000 0.278 538 V C 0.566 176.715 176.094 0.092 0.000 1.021 538 V CA -0.118 62.245 62.300 0.104 0.000 0.838 538 V CB 1.059 32.941 31.823 0.098 0.000 0.999 538 V HN 1.039 nan 8.190 nan 0.000 0.447 539 A N 4.427 127.280 122.820 0.055 0.000 2.596 539 A HA -0.013 4.307 4.320 0.000 0.000 0.300 539 A C 1.808 179.421 177.584 0.047 0.000 1.495 539 A CA 1.454 53.516 52.037 0.042 0.000 0.769 539 A CB -1.478 17.543 19.000 0.035 0.000 1.047 539 A HN 2.514 nan 8.150 nan 0.000 0.436 540 G N -2.749 106.081 108.800 0.051 0.000 2.241 540 G HA2 -0.089 3.871 3.960 0.000 0.000 0.244 540 G HA3 -0.089 3.871 3.960 0.000 0.000 0.244 540 G C 0.407 175.324 174.900 0.029 0.000 0.998 540 G CA 0.708 45.831 45.100 0.040 0.000 0.621 540 G HN 1.848 nan 8.290 nan 0.000 0.519 541 T N 2.364 116.943 114.554 0.043 0.000 2.767 541 T HA 0.542 4.892 4.350 0.000 0.000 0.288 541 T C -0.722 173.954 174.700 -0.040 0.000 0.963 541 T CA -0.344 61.745 62.100 -0.018 0.000 1.019 541 T CB 1.684 70.550 68.868 -0.003 0.000 0.923 541 T HN 0.198 nan 8.240 nan 0.000 0.468 542 D N 1.930 122.232 120.400 -0.164 0.000 2.210 542 D HA 0.332 4.972 4.640 0.000 0.000 0.249 542 D C -0.811 175.263 176.300 -0.377 0.000 1.062 542 D CA 0.009 53.929 54.000 -0.133 0.000 0.891 542 D CB 0.774 41.525 40.800 -0.082 0.000 1.186 542 D HN 0.477 nan 8.370 nan 0.000 0.432 543 Y N 1.435 121.730 120.300 -0.009 0.000 2.327 543 Y HA 0.269 4.819 4.550 0.000 0.000 0.325 543 Y C 0.723 176.615 175.900 -0.014 0.000 0.999 543 Y CA -0.647 57.444 58.100 -0.014 0.000 1.195 543 Y CB 1.235 39.681 38.460 -0.024 0.000 1.132 543 Y HN 0.197 nan 8.280 nan 0.000 0.455 544 N N 0.958 119.708 118.700 0.084 0.000 2.197 544 N HA 0.032 4.772 4.740 0.000 0.000 0.201 544 N C -0.326 175.215 175.510 0.052 0.000 1.148 544 N CA 0.362 53.444 53.050 0.054 0.000 0.883 544 N CB 0.736 39.236 38.487 0.021 0.000 1.012 544 N HN 0.654 nan 8.380 nan 0.000 0.507 545 D N 0.265 120.706 120.400 0.068 0.000 2.571 545 D HA 0.294 4.934 4.640 0.000 0.000 0.239 545 D C 0.515 176.846 176.300 0.052 0.000 1.267 545 D CA 0.061 54.091 54.000 0.050 0.000 0.823 545 D CB 1.258 42.083 40.800 0.042 0.000 1.056 545 D HN 0.164 nan 8.370 nan 0.000 0.494 546 G N 1.513 110.347 108.800 0.056 0.000 2.697 546 G HA2 0.062 4.022 3.960 0.000 0.000 0.686 546 G HA3 0.062 4.022 3.960 0.000 0.000 0.686 546 G C -0.901 174.005 174.900 0.009 0.000 1.179 546 G CA -0.626 44.488 45.100 0.023 0.000 0.765 546 G HN 0.326 nan 8.290 nan 0.000 0.649 547 L N -1.380 119.807 121.223 -0.059 0.000 2.556 547 L HA 0.968 5.308 4.340 0.000 0.000 0.257 547 L C -0.661 176.110 176.870 -0.165 0.000 0.955 547 L CA -0.921 53.829 54.840 -0.150 0.000 0.850 547 L CB 2.263 44.124 42.059 -0.331 0.000 1.398 547 L HN 0.720 nan 8.230 nan 0.000 0.412 548 T N 4.204 118.652 114.554 -0.177 0.000 2.890 548 T HA 0.640 4.990 4.350 0.000 0.000 0.295 548 T C -0.644 173.905 174.700 -0.251 0.000 0.993 548 T CA -0.305 61.680 62.100 -0.192 0.000 0.979 548 T CB 1.204 70.042 68.868 -0.049 0.000 0.967 548 T HN 0.494 nan 8.240 nan 0.000 0.441 549 L N 3.952 124.937 121.223 -0.398 0.000 2.376 549 L HA 0.671 5.011 4.340 0.000 0.000 0.275 549 L C -1.128 175.445 176.870 -0.496 0.000 0.987 549 L CA -0.807 53.827 54.840 -0.343 0.000 0.828 549 L CB 1.408 43.287 42.059 -0.299 0.000 1.249 549 L HN 0.545 nan 8.230 nan 0.000 0.409 550 F N 1.090 120.968 119.950 -0.121 0.000 2.561 550 F HA 0.507 5.034 4.527 0.000 0.000 0.321 550 F C 0.268 176.041 175.800 -0.045 0.000 1.065 550 F CA -0.726 57.236 58.000 -0.063 0.000 0.934 550 F CB 2.103 41.083 39.000 -0.034 0.000 1.215 550 F HN 0.413 nan 8.300 nan 0.000 0.471 551 N N 0.300 119.133 118.700 0.222 0.000 2.432 551 N HA 0.714 5.454 4.740 0.000 0.000 0.292 551 N C -0.002 175.598 175.510 0.151 0.000 1.193 551 N CA 0.123 53.252 53.050 0.132 0.000 0.878 551 N CB 1.653 40.186 38.487 0.077 0.000 1.252 551 N HN 0.912 nan 8.380 nan 0.000 0.520 552 G N -0.387 108.478 108.800 0.108 0.000 2.760 552 G HA2 0.123 4.083 3.960 0.000 0.000 0.246 552 G HA3 0.123 4.083 3.960 0.000 0.000 0.246 552 G C -0.367 174.612 174.900 0.132 0.000 1.359 552 G CA -0.412 44.743 45.100 0.091 0.000 0.861 552 G HN 0.829 nan 8.290 nan 0.000 0.541 553 A N -0.419 122.458 122.820 0.094 0.000 2.584 553 A HA 0.467 4.787 4.320 0.000 0.000 0.239 553 A C -0.098 177.605 177.584 0.199 0.000 1.043 553 A CA 1.227 53.339 52.037 0.124 0.000 0.756 553 A CB 0.024 19.054 19.000 0.050 0.000 0.963 553 A HN 1.997 nan 8.150 nan 0.000 0.511 554 F N 2.618 122.618 119.950 0.084 0.000 2.495 554 F HA 0.695 5.222 4.527 0.000 0.000 0.327 554 F C 0.190 176.034 175.800 0.074 0.000 1.103 554 F CA -0.793 57.245 58.000 0.063 0.000 0.949 554 F CB 1.521 40.572 39.000 0.085 0.000 1.142 554 F HN 0.669 nan 8.300 nan 0.000 0.457 555 R N 4.226 124.236 120.500 -0.816 0.000 2.564 555 R HA 0.825 5.165 4.340 0.000 0.000 0.284 555 R C -2.030 173.735 176.300 -0.892 0.000 1.031 555 R CA -0.691 55.027 56.100 -0.636 0.000 0.904 555 R CB 1.694 31.824 30.300 -0.284 0.000 1.199 555 R HN 0.854 nan 8.270 nan 0.000 0.443 556 A N 1.502 123.965 122.820 -0.595 0.000 2.498 556 A HA 0.491 4.811 4.320 0.000 0.000 0.298 556 A C -0.129 177.360 177.584 -0.159 0.000 1.075 556 A CA -0.084 51.732 52.037 -0.369 0.000 0.714 556 A CB 1.567 20.422 19.000 -0.241 0.000 1.299 556 A HN 1.369 nan 8.150 nan 0.000 0.407 557 S N -0.760 114.876 115.700 -0.107 0.000 3.486 557 S HA -0.155 4.315 4.470 0.000 0.000 0.371 557 S C 0.081 174.650 174.600 -0.052 0.000 1.001 557 S CA 1.327 59.492 58.200 -0.058 0.000 1.164 557 S CB -2.447 60.737 63.200 -0.027 0.000 0.911 557 S HN 1.763 nan 8.310 nan 0.000 0.472 558 T N 0.873 115.384 114.554 -0.072 0.000 3.170 558 T HA 0.532 4.882 4.350 0.000 0.000 0.315 558 T C 1.192 175.855 174.700 -0.062 0.000 0.967 558 T CA -0.281 61.785 62.100 -0.057 0.000 1.024 558 T CB 1.758 70.592 68.868 -0.057 0.000 1.018 558 T HN 0.556 nan 8.240 nan 0.000 0.449 559 T N -0.462 114.065 114.554 -0.046 0.000 3.023 559 T HA 0.164 4.514 4.350 0.000 0.000 0.266 559 T C 0.920 175.594 174.700 -0.042 0.000 1.093 559 T CA 0.557 62.630 62.100 -0.044 0.000 1.129 559 T CB -0.007 68.841 68.868 -0.033 0.000 0.899 559 T HN 0.692 nan 8.240 nan 0.000 0.491 560 S N 0.153 115.830 115.700 -0.038 0.000 2.550 560 S HA 0.693 5.163 4.470 0.000 0.000 0.270 560 S C -0.894 173.686 174.600 -0.034 0.000 1.145 560 S CA -0.366 57.812 58.200 -0.036 0.000 0.852 560 S CB 2.096 65.279 63.200 -0.028 0.000 1.119 560 S HN 0.977 nan 8.310 nan 0.000 0.465 561 S N 0.541 116.221 115.700 -0.033 0.000 2.615 561 S HA 0.862 5.332 4.470 0.000 0.000 0.269 561 S C 0.311 174.895 174.600 -0.027 0.000 1.161 561 S CA -0.482 57.700 58.200 -0.030 0.000 0.817 561 S CB 0.719 63.899 63.200 -0.034 0.000 1.131 561 S HN 1.614 nan 8.310 nan 0.000 0.467 562 G N 0.565 109.351 108.800 -0.024 0.000 2.504 562 G HA2 0.469 4.429 3.960 0.000 0.000 0.257 562 G HA3 0.469 4.429 3.960 0.000 0.000 0.257 562 G C -0.282 174.605 174.900 -0.022 0.000 1.451 562 G CA -0.601 44.486 45.100 -0.022 0.000 1.059 562 G HN 0.862 nan 8.290 nan 0.000 0.550 563 K N -0.448 119.942 120.400 -0.018 0.000 2.448 563 K HA 0.240 4.560 4.320 0.000 0.000 0.278 563 K C -0.446 176.149 176.600 -0.008 0.000 1.009 563 K CA 0.382 56.661 56.287 -0.012 0.000 0.995 563 K CB -0.032 32.465 32.500 -0.006 0.000 0.917 563 K HN 0.228 nan 8.250 nan 0.000 0.481 564 I N 4.374 124.943 120.570 -0.001 0.000 2.436 564 I HA 0.172 4.342 4.170 0.000 0.000 0.289 564 I C 0.187 176.332 176.117 0.046 0.000 1.010 564 I CA -1.064 60.247 61.300 0.017 0.000 1.098 564 I CB 1.473 39.483 38.000 0.017 0.000 1.266 564 I HN 0.653 nan 8.210 nan 0.000 0.434 565 H N 4.479 123.530 119.070 -0.031 0.000 2.757 565 H HA 0.030 4.586 4.556 0.000 0.000 0.370 565 H C 1.144 176.478 175.328 0.011 0.000 1.172 565 H CA 0.772 56.808 56.048 -0.019 0.000 1.426 565 H CB 1.503 31.241 29.762 -0.040 0.000 1.438 565 H HN 0.777 nan 8.280 nan 0.000 0.612 566 S N 2.091 117.616 115.700 -0.293 0.000 2.469 566 S HA -0.107 4.363 4.470 0.000 0.000 0.238 566 S C 0.656 175.334 174.600 0.129 0.000 0.998 566 S CA 1.047 59.202 58.200 -0.075 0.000 0.957 566 S CB -0.020 63.086 63.200 -0.156 0.000 0.764 566 S HN 0.704 nan 8.310 nan 0.000 0.514 567 E N 0.952 121.389 120.200 0.395 0.000 2.723 567 E HA 0.472 4.822 4.350 0.000 0.000 0.219 567 E C 0.336 177.048 176.600 0.187 0.000 1.060 567 E CA -0.394 56.172 56.400 0.277 0.000 1.291 567 E CB 0.721 30.554 29.700 0.223 0.000 1.265 567 E HN 0.585 nan 8.360 nan 0.000 0.438 568 G N 0.813 109.724 108.800 0.185 0.000 2.766 568 G HA2 0.709 4.669 3.960 0.000 0.000 0.288 568 G HA3 0.709 4.669 3.960 0.000 0.000 0.288 568 G C -1.263 173.730 174.900 0.155 0.000 1.408 568 G CA -0.772 44.345 45.100 0.028 0.000 0.852 568 G HN 0.168 nan 8.290 nan 0.000 0.487 569 F N -2.045 117.965 119.950 0.100 0.000 2.719 569 F HA 0.791 5.318 4.527 0.000 0.000 0.309 569 F C -1.586 174.251 175.800 0.061 0.000 1.138 569 F CA -1.486 56.591 58.000 0.127 0.000 0.943 569 F CB 1.417 40.556 39.000 0.230 0.000 1.304 569 F HN 0.442 nan 8.300 nan 0.000 0.445 570 I N 3.112 123.853 120.570 0.285 0.000 2.534 570 I HA 0.546 4.716 4.170 0.000 0.000 0.288 570 I C -1.039 175.177 176.117 0.165 0.000 1.077 570 I CA -0.684 60.728 61.300 0.186 0.000 1.051 570 I CB 2.175 40.197 38.000 0.037 0.000 1.234 570 I HN 0.631 nan 8.210 nan 0.000 0.425 571 M N 3.343 123.056 119.600 0.188 0.000 2.550 571 M HA 0.475 4.955 4.480 0.000 0.000 0.292 571 M C 0.582 176.917 176.300 0.058 0.000 1.221 571 M CA -0.622 54.729 55.300 0.085 0.000 0.873 571 M CB 2.208 34.869 32.600 0.103 0.000 1.727 571 M HN 0.794 nan 8.290 nan 0.000 0.459 572 G N 1.778 110.590 108.800 0.020 0.000 2.323 572 G HA2 -0.189 3.771 3.960 0.000 0.000 0.292 572 G HA3 -0.189 3.771 3.960 0.000 0.000 0.292 572 G C -0.398 174.512 174.900 0.018 0.000 1.040 572 G CA 0.521 45.631 45.100 0.017 0.000 0.942 572 G HN 0.637 nan 8.290 nan 0.000 0.506 573 S N -1.358 114.348 115.700 0.009 0.000 2.671 573 S HA 0.884 5.354 4.470 0.000 0.000 0.299 573 S C 0.478 175.076 174.600 -0.003 0.000 1.116 573 S CA -0.061 58.145 58.200 0.009 0.000 0.912 573 S CB 2.119 65.328 63.200 0.014 0.000 1.130 573 S HN 1.070 nan 8.310 nan 0.000 0.501 574 T N -0.910 113.643 114.554 -0.003 0.000 2.893 574 T HA 0.639 4.989 4.350 0.000 0.000 0.279 574 T C 0.482 175.176 174.700 -0.010 0.000 0.991 574 T CA -0.663 61.432 62.100 -0.007 0.000 0.950 574 T CB 0.452 69.317 68.868 -0.005 0.000 1.223 574 T HN 0.690 nan 8.240 nan 0.000 0.585 575 S N -0.932 114.761 115.700 -0.012 0.000 2.569 575 S HA 0.441 4.911 4.470 0.000 0.000 0.274 575 S C 1.473 176.065 174.600 -0.013 0.000 1.353 575 S CA -0.018 58.174 58.200 -0.014 0.000 1.023 575 S CB -0.344 62.847 63.200 -0.014 0.000 0.876 575 S HN 2.392 nan 8.310 nan 0.000 0.540 576 G N -0.295 108.496 108.800 -0.015 0.000 2.175 576 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 576 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 576 G C 0.231 175.121 174.900 -0.017 0.000 0.982 576 G CA -0.104 44.987 45.100 -0.015 0.000 0.641 576 G HN 0.999 nan 8.290 nan 0.000 0.527 577 C N 1.169 120.459 119.300 -0.018 0.000 2.443 577 C HA 0.771 5.231 4.460 0.000 0.000 0.369 577 C C 0.427 175.401 174.990 -0.027 0.000 1.241 577 C CA 0.129 59.134 59.018 -0.021 0.000 2.413 577 C CB 0.931 28.662 27.740 -0.016 0.000 2.451 577 C HN 0.753 nan 8.230 nan 0.000 0.595 578 E N 0.274 120.453 120.200 -0.035 0.000 2.375 578 E HA 0.638 4.988 4.350 0.000 0.000 0.280 578 E C -1.591 174.971 176.600 -0.062 0.000 0.972 578 E CA -0.774 55.602 56.400 -0.041 0.000 0.782 578 E CB 1.625 31.306 29.700 -0.032 0.000 1.229 578 E HN 0.654 nan 8.360 nan 0.000 0.439 579 A N 1.486 124.265 122.820 -0.068 0.000 2.943 579 A HA 0.376 4.696 4.320 0.000 0.000 0.327 579 A C 0.249 177.796 177.584 -0.062 0.000 1.141 579 A CA -0.268 51.703 52.037 -0.109 0.000 0.773 579 A CB 0.308 19.196 19.000 -0.187 0.000 1.143 579 A HN 0.657 nan 8.150 nan 0.000 0.463 580 S N 0.163 115.833 115.700 -0.050 0.000 2.575 580 S HA 0.300 4.770 4.470 0.000 0.000 0.215 580 S C 0.677 175.284 174.600 0.012 0.000 0.966 580 S CA 0.595 58.796 58.200 0.001 0.000 0.911 580 S CB -0.833 62.361 63.200 -0.010 0.000 0.780 580 S HN 1.607 nan 8.310 nan 0.000 0.514 581 V N -2.221 117.620 119.914 -0.121 0.000 3.155 581 V HA 0.729 4.849 4.120 0.000 0.000 0.313 581 V C 0.137 175.814 176.094 -0.696 0.000 1.162 581 V CA -1.067 61.026 62.300 -0.344 0.000 1.048 581 V CB 1.052 32.727 31.823 -0.246 0.000 1.092 581 V HN 0.121 nan 8.190 nan 0.000 0.447 582 S N 1.086 116.173 115.700 -1.023 0.000 2.552 582 S HA 0.192 4.662 4.470 0.000 0.000 0.289 582 S C 0.494 174.889 174.600 -0.343 0.000 1.304 582 S CA 0.739 58.511 58.200 -0.714 0.000 1.063 582 S CB -0.766 62.187 63.200 -0.411 0.000 0.848 582 S HN 1.034 nan 8.310 nan 0.000 0.499 583 K N 1.242 121.520 120.400 -0.203 0.000 3.244 583 K HA -0.148 4.172 4.320 0.000 0.000 0.270 583 K C -0.434 176.036 176.600 -0.217 0.000 1.016 583 K CA 0.859 57.052 56.287 -0.156 0.000 0.754 583 K CB -2.485 29.925 32.500 -0.149 0.000 1.326 583 K HN 0.721 nan 8.250 nan 0.000 0.465 584 S N -0.817 114.726 115.700 -0.261 0.000 2.548 584 S HA 0.881 5.351 4.470 0.000 0.000 0.286 584 S C 0.043 174.327 174.600 -0.525 0.000 1.098 584 S CA -0.211 57.805 58.200 -0.308 0.000 0.930 584 S CB 2.823 65.876 63.200 -0.245 0.000 1.070 584 S HN 0.524 nan 8.310 nan 0.000 0.480 585 G N 0.187 108.634 108.800 -0.588 0.000 2.698 585 G HA2 0.596 4.556 3.960 0.000 0.000 0.293 585 G HA3 0.596 4.556 3.960 0.000 0.000 0.293 585 G C -1.950 172.711 174.900 -0.398 0.000 1.437 585 G CA -0.681 43.813 45.100 -1.010 0.000 0.852 585 G HN 1.019 nan 8.290 nan 0.000 0.499 586 V N 1.221 121.011 119.914 -0.206 0.000 2.531 586 V HA 0.615 4.735 4.120 0.000 0.000 0.301 586 V C -0.279 175.907 176.094 0.153 0.000 1.034 586 V CA -0.581 61.717 62.300 -0.003 0.000 0.865 586 V CB 1.426 33.235 31.823 -0.023 0.000 0.995 586 V HN 0.646 nan 8.190 nan 0.000 0.424 587 L N 3.428 124.743 121.223 0.153 0.000 2.354 587 L HA 0.571 4.911 4.340 0.000 0.000 0.269 587 L C 0.731 177.650 176.870 0.081 0.000 1.005 587 L CA -0.613 54.316 54.840 0.148 0.000 0.819 587 L CB 2.187 44.342 42.059 0.160 0.000 1.311 587 L HN 0.938 nan 8.230 nan 0.000 0.423 588 T N -1.514 113.078 114.554 0.063 0.000 3.795 588 T HA -0.183 4.167 4.350 0.000 0.000 0.370 588 T C 0.076 174.797 174.700 0.034 0.000 0.761 588 T CA 0.837 62.962 62.100 0.042 0.000 1.923 588 T CB -1.907 66.985 68.868 0.040 0.000 1.795 588 T HN 0.616 nan 8.240 nan 0.000 0.762 589 S N 0.128 115.845 115.700 0.029 0.000 2.704 589 S HA 0.898 5.368 4.470 0.000 0.000 0.296 589 S C -0.206 174.401 174.600 0.012 0.000 1.138 589 S CA -0.401 57.811 58.200 0.020 0.000 0.875 589 S CB 2.288 65.499 63.200 0.019 0.000 1.151 589 S HN 1.230 nan 8.310 nan 0.000 0.500 590 S N -0.264 115.440 115.700 0.008 0.000 2.536 590 S HA 0.658 5.128 4.470 0.000 0.000 0.287 590 S C -0.255 174.344 174.600 -0.000 0.000 1.101 590 S CA -0.646 57.556 58.200 0.003 0.000 0.950 590 S CB 1.278 64.481 63.200 0.004 0.000 1.056 590 S HN 0.895 nan 8.310 nan 0.000 0.481 591 S N 0.967 116.664 115.700 -0.005 0.000 3.427 591 S HA -0.133 4.338 4.470 0.000 0.000 0.373 591 S C 0.073 174.667 174.600 -0.010 0.000 0.973 591 S CA 0.951 59.147 58.200 -0.008 0.000 1.218 591 S CB -1.927 61.270 63.200 -0.006 0.000 0.912 591 S HN 0.871 nan 8.310 nan 0.000 0.483 592 S N 0.974 116.667 115.700 -0.012 0.000 2.500 592 S HA 0.592 5.062 4.470 0.000 0.000 0.301 592 S C -0.148 174.437 174.600 -0.026 0.000 1.092 592 S CA -0.998 57.193 58.200 -0.016 0.000 1.030 592 S CB 1.763 64.957 63.200 -0.010 0.000 1.031 592 S HN 0.363 nan 8.310 nan 0.000 0.483 593 K N 1.290 121.670 120.400 -0.032 0.000 2.427 593 K HA 0.619 4.939 4.320 0.000 0.000 0.252 593 K C -0.928 175.639 176.600 -0.054 0.000 0.931 593 K CA -0.692 55.569 56.287 -0.042 0.000 0.793 593 K CB 2.161 34.640 32.500 -0.036 0.000 1.211 593 K HN 0.504 nan 8.250 nan 0.000 0.426 594 T N 0.053 114.564 114.554 -0.072 0.000 2.848 594 T HA 0.252 4.602 4.350 0.000 0.000 0.285 594 T C -0.053 174.590 174.700 -0.095 0.000 0.995 594 T CA -0.543 61.504 62.100 -0.089 0.000 0.970 594 T CB 0.780 69.580 68.868 -0.113 0.000 0.976 594 T HN 0.565 nan 8.240 nan 0.000 0.441 595 S N 2.547 118.193 115.700 -0.090 0.000 2.741 595 S HA 0.319 4.789 4.470 0.000 0.000 0.247 595 S C 0.345 174.877 174.600 -0.113 0.000 1.050 595 S CA -0.599 57.546 58.200 -0.092 0.000 1.025 595 S CB 0.233 63.393 63.200 -0.066 0.000 0.897 595 S HN 0.547 nan 8.310 nan 0.000 0.508 596 S N 1.983 117.603 115.700 -0.133 0.000 2.422 596 S HA 0.310 4.780 4.470 0.000 0.000 0.308 596 S C -0.322 174.153 174.600 -0.208 0.000 1.097 596 S CA -0.447 57.660 58.200 -0.155 0.000 1.099 596 S CB 0.773 63.888 63.200 -0.141 0.000 0.976 596 S HN 0.589 nan 8.310 nan 0.000 0.471 597 E N 3.820 123.882 120.200 -0.230 0.000 2.351 597 E HA 0.142 4.492 4.350 0.000 0.000 0.266 597 E C -0.498 175.868 176.600 -0.390 0.000 1.031 597 E CA -0.010 56.220 56.400 -0.283 0.000 0.911 597 E CB 0.159 29.707 29.700 -0.254 0.000 0.986 597 E HN 0.709 nan 8.360 nan 0.000 0.446 598 R N 2.157 122.440 120.500 -0.361 0.000 2.650 598 R HA -0.131 4.209 4.340 0.000 0.000 0.315 598 R C -1.194 174.923 176.300 -0.305 0.000 0.986 598 R CA 0.720 56.585 56.100 -0.391 0.000 0.744 598 R CB -2.271 27.605 30.300 -0.708 0.000 2.072 598 R HN 0.683 nan 8.270 nan 0.000 0.477 599 S N 0.412 115.990 115.700 -0.204 0.000 2.596 599 S HA 0.859 5.329 4.470 0.000 0.000 0.270 599 S C -1.251 173.284 174.600 -0.108 0.000 1.155 599 S CA -1.198 56.913 58.200 -0.148 0.000 0.827 599 S CB 2.809 65.915 63.200 -0.157 0.000 1.130 599 S HN 0.365 nan 8.310 nan 0.000 0.467 600 L N 0.799 121.985 121.223 -0.062 0.000 2.526 600 L HA 0.694 5.034 4.340 0.000 0.000 0.263 600 L C -1.960 174.902 176.870 -0.013 0.000 0.943 600 L CA -0.512 54.313 54.840 -0.025 0.000 0.859 600 L CB 1.637 43.724 42.059 0.047 0.000 1.313 600 L HN 0.908 nan 8.230 nan 0.000 0.406 601 I N 4.419 124.981 120.570 -0.014 0.000 2.378 601 I HA 0.834 5.004 4.170 0.000 0.000 0.291 601 I C -0.164 175.974 176.117 0.036 0.000 0.992 601 I CA -0.553 60.749 61.300 0.004 0.000 1.154 601 I CB 1.785 39.776 38.000 -0.015 0.000 1.315 601 I HN 0.790 nan 8.210 nan 0.000 0.448 602 A N 3.645 126.491 122.820 0.043 0.000 2.498 602 A HA 0.737 5.057 4.320 0.000 0.000 0.298 602 A C 0.441 178.050 177.584 0.042 0.000 1.075 602 A CA -0.156 51.913 52.037 0.054 0.000 0.714 602 A CB 1.489 20.529 19.000 0.067 0.000 1.299 602 A HN 1.096 nan 8.150 nan 0.000 0.407 603 G N 0.482 109.306 108.800 0.041 0.000 2.341 603 G HA2 -0.059 3.901 3.960 0.000 0.000 0.292 603 G HA3 -0.059 3.901 3.960 0.000 0.000 0.292 603 G C 0.259 175.178 174.900 0.031 0.000 1.021 603 G CA 0.884 46.005 45.100 0.035 0.000 0.905 603 G HN 1.241 nan 8.290 nan 0.000 0.508 604 S N -1.243 114.473 115.700 0.027 0.000 2.671 604 S HA 0.906 5.376 4.470 0.000 0.000 0.299 604 S C 0.018 174.629 174.600 0.018 0.000 1.116 604 S CA 0.020 58.234 58.200 0.023 0.000 0.912 604 S CB 2.237 65.448 63.200 0.020 0.000 1.130 604 S HN 1.431 nan 8.310 nan 0.000 0.501 605 S N -0.469 115.242 115.700 0.017 0.000 2.548 605 S HA 0.627 5.097 4.470 0.000 0.000 0.286 605 S C -0.088 174.517 174.600 0.009 0.000 1.098 605 S CA -0.086 58.121 58.200 0.013 0.000 0.930 605 S CB 0.968 64.177 63.200 0.015 0.000 1.070 605 S HN 1.599 nan 8.310 nan 0.000 0.480 606 T N -0.656 113.900 114.554 0.004 0.000 3.760 606 T HA -0.161 4.189 4.350 0.000 0.000 0.366 606 T C 0.120 174.817 174.700 -0.004 0.000 0.761 606 T CA 1.035 63.134 62.100 -0.001 0.000 1.887 606 T CB -2.679 66.190 68.868 0.002 0.000 1.811 606 T HN 0.821 nan 8.240 nan 0.000 0.749 607 S N 0.425 116.121 115.700 -0.006 0.000 2.621 607 S HA 0.742 5.212 4.470 0.000 0.000 0.302 607 S C -0.333 174.255 174.600 -0.019 0.000 1.093 607 S CA -0.939 57.254 58.200 -0.010 0.000 1.017 607 S CB 2.281 65.479 63.200 -0.004 0.000 1.077 607 S HN 0.674 nan 8.310 nan 0.000 0.517 608 E N 0.263 120.448 120.200 -0.024 0.000 2.304 608 E HA 0.601 4.951 4.350 0.000 0.000 0.277 608 E C -1.741 174.836 176.600 -0.038 0.000 0.898 608 E CA -0.679 55.702 56.400 -0.032 0.000 0.764 608 E CB 1.506 31.187 29.700 -0.031 0.000 1.216 608 E HN 0.689 nan 8.360 nan 0.000 0.419 609 A N 3.960 126.751 122.820 -0.048 0.000 2.304 609 A HA 0.478 4.798 4.320 0.000 0.000 0.314 609 A C -0.218 177.327 177.584 -0.065 0.000 1.187 609 A CA -0.607 51.395 52.037 -0.057 0.000 0.810 609 A CB 0.478 19.437 19.000 -0.068 0.000 1.183 609 A HN 0.666 nan 8.150 nan 0.000 0.487 610 K N 2.371 122.734 120.400 -0.061 0.000 2.562 610 K HA 0.300 4.620 4.320 0.000 0.000 0.201 610 K C 0.715 177.277 176.600 -0.063 0.000 1.131 610 K CA 0.206 56.456 56.287 -0.062 0.000 1.059 610 K CB 0.815 33.286 32.500 -0.048 0.000 0.913 610 K HN 0.603 nan 8.250 nan 0.000 0.563 611 G N 1.462 110.221 108.800 -0.069 0.000 3.411 611 G HA2 0.376 4.336 3.960 0.000 0.000 0.186 611 G HA3 0.376 4.336 3.960 0.000 0.000 0.186 611 G C -0.317 174.521 174.900 -0.103 0.000 1.766 611 G CA 0.355 45.415 45.100 -0.068 0.000 0.971 611 G HN 0.255 nan 8.290 nan 0.000 0.590 612 T N -5.081 109.397 114.554 -0.127 0.000 2.868 612 T HA 0.423 4.773 4.350 0.000 0.000 0.306 612 T C -0.568 173.985 174.700 -0.246 0.000 1.224 612 T CA -0.631 61.344 62.100 -0.208 0.000 1.012 612 T CB 1.374 70.145 68.868 -0.162 0.000 1.221 612 T HN 0.865 nan 8.240 nan 0.000 0.499 613 Y N -0.405 119.638 120.300 -0.428 0.000 3.305 613 Y HA -0.194 4.356 4.550 0.000 0.000 0.212 613 Y C 0.254 175.962 175.900 -0.322 0.000 1.248 613 Y CA 0.101 57.901 58.100 -0.501 0.000 1.359 613 Y CB -2.016 35.743 38.460 -1.168 0.000 1.407 613 Y HN 0.655 nan 8.280 nan 0.000 0.572 614 N N 0.642 119.270 118.700 -0.120 0.000 2.443 614 N HA 0.494 5.234 4.740 0.000 0.000 0.295 614 N C -0.137 175.350 175.510 -0.039 0.000 1.076 614 N CA -0.322 52.687 53.050 -0.069 0.000 0.919 614 N CB 1.733 40.174 38.487 -0.077 0.000 1.176 614 N HN 0.071 nan 8.380 nan 0.000 0.487 615 T N 1.917 116.467 114.554 -0.007 0.000 2.841 615 T HA 0.569 4.919 4.350 0.000 0.000 0.285 615 T C 0.090 174.798 174.700 0.013 0.000 0.991 615 T CA -0.425 61.681 62.100 0.011 0.000 0.966 615 T CB 0.847 69.738 68.868 0.038 0.000 0.962 615 T HN 0.263 nan 8.240 nan 0.000 0.438 616 I N 4.211 124.787 120.570 0.011 0.000 2.468 616 I HA 0.466 4.636 4.170 0.000 0.000 0.285 616 I C -1.021 175.112 176.117 0.026 0.000 1.039 616 I CA -0.772 60.537 61.300 0.015 0.000 1.074 616 I CB 1.590 39.591 38.000 0.003 0.000 1.228 616 I HN 0.341 nan 8.210 nan 0.000 0.436 617 L N 4.962 126.206 121.223 0.035 0.000 2.386 617 L HA 0.600 4.940 4.340 0.000 0.000 0.271 617 L C 0.820 177.715 176.870 0.042 0.000 0.993 617 L CA -0.814 54.050 54.840 0.040 0.000 0.819 617 L CB 1.991 44.078 42.059 0.046 0.000 1.294 617 L HN 0.848 nan 8.230 nan 0.000 0.414 618 G N 1.928 110.753 108.800 0.041 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 -0.035 174.892 174.900 0.045 0.000 1.020 618 G CA 0.574 45.699 45.100 0.042 0.000 1.026 618 G HN 0.506 nan 8.290 nan 0.000 0.512 619 S N -1.237 114.487 115.700 0.040 0.000 2.599 619 S HA 0.809 5.279 4.470 0.000 0.000 0.294 619 S C -0.372 174.250 174.600 0.037 0.000 1.094 619 S CA -0.741 57.484 58.200 0.042 0.000 0.931 619 S CB 2.489 65.710 63.200 0.035 0.000 1.093 619 S HN 0.892 nan 8.310 nan 0.000 0.488 620 L N 1.235 122.485 121.223 0.044 0.000 2.409 620 L HA 0.666 5.006 4.340 0.000 0.000 0.272 620 L C 0.503 177.395 176.870 0.036 0.000 0.980 620 L CA -0.000 54.864 54.840 0.041 0.000 0.826 620 L CB 1.086 43.178 42.059 0.054 0.000 1.268 620 L HN 0.934 nan 8.230 nan 0.000 0.407 621 G N 3.516 112.328 108.800 0.020 0.000 2.305 621 G HA2 -0.188 3.772 3.960 0.000 0.000 0.287 621 G HA3 -0.188 3.772 3.960 0.000 0.000 0.287 621 G C 0.105 175.000 174.900 -0.009 0.000 1.036 621 G CA 0.373 45.477 45.100 0.005 0.000 0.887 621 G HN 1.093 nan 8.290 nan 0.000 0.505 622 A N -0.753 122.064 122.820 -0.005 0.000 2.305 622 A HA 0.847 5.167 4.320 0.000 0.000 0.322 622 A C -0.000 177.571 177.584 -0.021 0.000 1.187 622 A CA -0.338 51.692 52.037 -0.013 0.000 0.825 622 A CB 1.941 20.941 19.000 -0.001 0.000 1.164 622 A HN 1.195 nan 8.150 nan 0.000 0.498 623 V N 1.309 121.205 119.914 -0.029 0.000 2.531 623 V HA 0.686 4.806 4.120 0.000 0.000 0.301 623 V C 0.147 176.222 176.094 -0.031 0.000 1.034 623 V CA -0.309 61.973 62.300 -0.031 0.000 0.865 623 V CB 1.612 33.413 31.823 -0.035 0.000 0.995 623 V HN 1.218 nan 8.190 nan 0.000 0.424 624 A N 3.026 125.827 122.820 -0.031 0.000 2.285 624 A HA 0.748 5.068 4.320 0.000 0.000 0.310 624 A C -0.128 177.434 177.584 -0.036 0.000 1.266 624 A CA -0.477 51.541 52.037 -0.031 0.000 0.832 624 A CB 0.500 19.483 19.000 -0.028 0.000 1.163 624 A HN 0.906 nan 8.150 nan 0.000 0.499 625 D N 1.088 121.469 120.400 -0.032 0.000 2.650 625 D HA 0.320 4.960 4.640 0.000 0.000 0.265 625 D C -0.102 176.183 176.300 -0.025 0.000 1.339 625 D CA -0.046 53.935 54.000 -0.032 0.000 0.816 625 D CB 0.482 41.264 40.800 -0.030 0.000 1.091 625 D HN 0.363 nan 8.370 nan 0.000 0.483 626 E N 0.795 120.982 120.200 -0.022 0.000 2.416 626 E HA 0.243 4.593 4.350 0.000 0.000 0.273 626 E C -0.959 175.636 176.600 -0.008 0.000 0.935 626 E CA -0.790 55.606 56.400 -0.007 0.000 0.784 626 E CB 1.360 31.062 29.700 0.004 0.000 1.301 626 E HN 0.136 nan 8.360 nan 0.000 0.454 627 Q N 2.096 121.909 119.800 0.021 0.000 2.286 627 Q HA 0.148 4.488 4.340 0.000 0.000 0.290 627 Q C -0.558 175.484 176.000 0.071 0.000 1.049 627 Q CA 0.315 56.126 55.803 0.013 0.000 0.923 627 Q CB -0.084 28.739 28.738 0.143 0.000 1.183 627 Q HN 0.654 nan 8.270 nan 0.000 0.383 628 F N -1.172 118.695 119.950 -0.138 0.000 2.871 628 F HA -0.317 4.210 4.527 0.000 0.000 0.326 628 F C 0.705 176.398 175.800 -0.178 0.000 0.675 628 F CA 0.706 58.535 58.000 -0.285 0.000 1.188 628 F CB -1.866 36.594 39.000 -0.900 0.000 1.567 628 F HN 0.795 nan 8.300 nan 0.000 0.325 629 A N 0.358 123.187 122.820 0.015 0.000 2.407 629 A HA 0.788 5.108 4.320 0.000 0.000 0.248 629 A C 0.437 178.026 177.584 0.008 0.000 1.082 629 A CA 0.529 52.571 52.037 0.009 0.000 0.785 629 A CB 0.663 19.659 19.000 -0.006 0.000 1.020 629 A HN 1.327 nan 8.150 nan 0.000 0.489 630 A N 0.753 123.583 122.820 0.017 0.000 2.612 630 A HA 0.705 5.025 4.320 0.000 0.000 0.293 630 A C -1.621 175.976 177.584 0.023 0.000 1.075 630 A CA -0.485 51.566 52.037 0.023 0.000 0.680 630 A CB 0.946 19.974 19.000 0.045 0.000 1.279 630 A HN 0.987 nan 8.150 nan 0.000 0.411 631 L N 0.706 121.944 121.223 0.024 0.000 2.455 631 L HA 0.711 5.051 4.340 0.000 0.000 0.264 631 L C -0.874 176.022 176.870 0.043 0.000 0.968 631 L CA 0.045 54.902 54.840 0.029 0.000 0.827 631 L CB 1.996 44.063 42.059 0.013 0.000 1.317 631 L HN 0.629 nan 8.230 nan 0.000 0.407 632 I N 1.241 121.846 120.570 0.058 0.000 2.533 632 I HA 0.378 4.548 4.170 0.000 0.000 0.290 632 I C 0.015 176.177 176.117 0.076 0.000 1.056 632 I CA -0.691 60.649 61.300 0.066 0.000 1.057 632 I CB 2.047 40.091 38.000 0.074 0.000 1.240 632 I HN 0.640 nan 8.210 nan 0.000 0.423 633 S N 3.357 119.099 115.700 0.071 0.000 3.628 633 S HA -0.157 4.313 4.470 0.000 0.000 0.373 633 S C -0.148 174.507 174.600 0.093 0.000 0.968 633 S CA 0.764 59.012 58.200 0.080 0.000 1.215 633 S CB -0.856 62.396 63.200 0.087 0.000 0.912 633 S HN 0.848 nan 8.310 nan 0.000 0.495 634 A N 0.649 123.516 122.820 0.078 0.000 2.401 634 A HA 0.860 5.180 4.320 0.000 0.000 0.310 634 A C -0.007 177.627 177.584 0.084 0.000 1.075 634 A CA -0.477 51.608 52.037 0.080 0.000 0.746 634 A CB 1.856 20.882 19.000 0.044 0.000 1.277 634 A HN 0.380 nan 8.150 nan 0.000 0.425 635 S N 1.252 117.023 115.700 0.118 0.000 2.521 635 S HA 0.500 4.970 4.470 0.000 0.000 0.295 635 S C -0.785 173.854 174.600 0.066 0.000 1.098 635 S CA -0.374 57.916 58.200 0.150 0.000 0.999 635 S CB 1.360 64.741 63.200 0.301 0.000 1.034 635 S HN 0.699 nan 8.310 nan 0.000 0.483 636 Q N 0.569 120.375 119.800 0.011 0.000 2.452 636 Q HA -0.153 4.187 4.340 0.000 0.000 0.318 636 Q C -0.667 175.220 176.000 -0.189 0.000 1.386 636 Q CA 0.671 56.410 55.803 -0.107 0.000 0.872 636 Q CB -1.939 26.683 28.738 -0.193 0.000 1.151 636 Q HN 0.608 nan 8.270 nan 0.000 0.417 637 S N -0.149 115.484 115.700 -0.112 0.000 2.569 637 S HA 0.776 5.246 4.470 0.000 0.000 0.280 637 S C -0.396 174.156 174.600 -0.079 0.000 1.111 637 S CA -0.918 57.212 58.200 -0.116 0.000 0.887 637 S CB 2.916 66.060 63.200 -0.093 0.000 1.095 637 S HN 0.374 nan 8.310 nan 0.000 0.476 638 R N 1.109 121.561 120.500 -0.080 0.000 2.514 638 R HA 0.667 5.007 4.340 0.000 0.000 0.296 638 R C -1.498 174.769 176.300 -0.056 0.000 1.012 638 R CA -0.551 55.513 56.100 -0.060 0.000 0.897 638 R CB 1.204 31.468 30.300 -0.060 0.000 1.184 638 R HN 0.731 nan 8.270 nan 0.000 0.440 639 A N 2.840 125.634 122.820 -0.042 0.000 2.253 639 A HA 0.386 4.706 4.320 0.000 0.000 0.316 639 A C -0.124 177.443 177.584 -0.029 0.000 1.327 639 A CA -0.465 51.551 52.037 -0.035 0.000 0.917 639 A CB 1.129 20.115 19.000 -0.024 0.000 1.162 639 A HN 0.768 nan 8.150 nan 0.000 0.535 640 S N 1.686 117.369 115.700 -0.028 0.000 2.650 640 S HA 0.283 4.753 4.470 0.000 0.000 0.240 640 S C 0.863 175.455 174.600 -0.013 0.000 1.007 640 S CA 0.246 58.434 58.200 -0.021 0.000 0.984 640 S CB 0.492 63.678 63.200 -0.024 0.000 0.910 640 S HN 1.001 nan 8.310 nan 0.000 0.509 641 G N 1.733 110.525 108.800 -0.013 0.000 2.437 641 G HA2 0.405 4.365 3.960 0.000 0.000 0.319 641 G HA3 0.405 4.365 3.960 0.000 0.000 0.319 641 G C -0.429 174.463 174.900 -0.013 0.000 1.158 641 G CA -0.612 44.481 45.100 -0.011 0.000 0.899 641 G HN 0.212 nan 8.290 nan 0.000 0.502 642 N N 0.063 118.747 118.700 -0.027 0.000 2.438 642 N HA 0.025 4.765 4.740 0.000 0.000 0.267 642 N C 0.243 175.669 175.510 -0.140 0.000 1.222 642 N CA 0.159 53.188 53.050 -0.036 0.000 0.930 642 N CB -0.279 38.178 38.487 -0.051 0.000 1.083 642 N HN 0.629 nan 8.380 nan 0.000 0.476 643 H N -0.321 118.615 119.070 -0.223 0.000 2.820 643 H HA -0.228 4.328 4.556 0.000 0.000 0.295 643 H C -0.707 174.540 175.328 -0.136 0.000 1.187 643 H CA 0.966 56.862 56.048 -0.254 0.000 1.144 643 H CB -1.753 27.579 29.762 -0.717 0.000 1.354 643 H HN 0.587 nan 8.280 nan 0.000 0.395 644 N N 0.897 119.604 118.700 0.012 0.000 2.426 644 N HA 0.369 5.109 4.740 0.000 0.000 0.257 644 N C -0.940 174.587 175.510 0.030 0.000 1.002 644 N CA -0.835 52.225 53.050 0.017 0.000 0.942 644 N CB 0.710 39.194 38.487 -0.004 0.000 1.112 644 N HN 0.293 nan 8.380 nan 0.000 0.499 645 L N 4.940 126.194 121.223 0.050 0.000 2.307 645 L HA 0.637 4.978 4.340 0.000 0.000 0.284 645 L C -1.002 175.889 176.870 0.034 0.000 1.023 645 L CA -0.494 54.381 54.840 0.057 0.000 0.810 645 L CB 0.906 43.023 42.059 0.097 0.000 1.231 645 L HN 0.529 nan 8.230 nan 0.000 0.423 646 I N 6.009 126.587 120.570 0.014 0.000 2.377 646 I HA 0.410 4.580 4.170 0.000 0.000 0.293 646 I C -0.763 175.378 176.117 0.041 0.000 0.987 646 I CA -0.519 60.767 61.300 -0.024 0.000 1.185 646 I CB 1.447 39.415 38.000 -0.053 0.000 1.341 646 I HN 0.488 nan 8.210 nan 0.000 0.455 647 L N 4.712 125.981 121.223 0.076 0.000 2.381 647 L HA 0.414 4.754 4.340 0.000 0.000 0.268 647 L C 0.369 177.360 176.870 0.201 0.000 0.997 647 L CA -0.777 54.173 54.840 0.183 0.000 0.818 647 L CB 1.864 44.121 42.059 0.329 0.000 1.310 647 L HN 0.617 nan 8.230 nan 0.000 0.416 648 S N 1.110 116.918 115.700 0.180 0.000 3.524 648 S HA -0.152 4.318 4.470 0.000 0.000 0.377 648 S C -0.134 174.590 174.600 0.207 0.000 0.949 648 S CA 0.613 58.931 58.200 0.197 0.000 1.264 648 S CB -0.940 62.404 63.200 0.239 0.000 0.918 648 S HN 0.709 nan 8.310 nan 0.000 0.517 649 S N 0.157 115.956 115.700 0.166 0.000 2.627 649 S HA 0.795 5.265 4.470 0.000 0.000 0.283 649 S C -1.099 173.632 174.600 0.218 0.000 1.127 649 S CA -0.762 57.537 58.200 0.165 0.000 0.863 649 S CB 1.900 65.117 63.200 0.028 0.000 1.121 649 S HN 0.476 nan 8.310 nan 0.000 0.479 650 Y N 0.208 120.545 120.300 0.062 0.000 2.406 650 Y HA 0.525 5.075 4.550 0.000 0.000 0.340 650 Y C 0.360 176.152 175.900 -0.180 0.000 0.975 650 Y CA 0.074 58.132 58.100 -0.070 0.000 1.056 650 Y CB 1.335 39.711 38.460 -0.139 0.000 1.210 650 Y HN 0.992 nan 8.280 nan 0.000 0.448 651 G N 5.677 113.923 108.800 -0.924 0.000 2.295 651 G HA2 -0.244 3.716 3.960 0.000 0.000 0.287 651 G HA3 -0.244 3.716 3.960 0.000 0.000 0.287 651 G C -0.450 174.192 174.900 -0.431 0.000 1.055 651 G CA 0.592 45.158 45.100 -0.890 0.000 0.922 651 G HN 1.212 nan 8.290 nan 0.000 0.503 652 I N -3.273 117.128 120.570 -0.282 0.000 2.689 652 I HA 0.769 4.939 4.170 0.000 0.000 0.299 652 I C -0.861 175.166 176.117 -0.149 0.000 1.059 652 I CA -1.555 59.632 61.300 -0.189 0.000 1.055 652 I CB 2.304 40.207 38.000 -0.162 0.000 1.243 652 I HN -0.088 nan 8.210 nan 0.000 0.425 653 N N 3.712 122.339 118.700 -0.121 0.000 2.442 653 N HA 0.441 5.181 4.740 0.000 0.000 0.274 653 N C -0.900 174.562 175.510 -0.080 0.000 1.002 653 N CA -0.400 52.594 53.050 -0.094 0.000 0.910 653 N CB 2.213 40.651 38.487 -0.082 0.000 1.244 653 N HN 0.866 nan 8.380 nan 0.000 0.492 654 T N -2.453 112.058 114.554 -0.073 0.000 2.885 654 T HA 0.622 4.972 4.350 0.000 0.000 0.285 654 T C 0.783 175.458 174.700 -0.042 0.000 1.019 654 T CA -0.627 61.435 62.100 -0.063 0.000 1.010 654 T CB 1.748 70.571 68.868 -0.075 0.000 1.022 654 T HN 0.438 nan 8.240 nan 0.000 0.466 655 T N -2.068 112.468 114.554 -0.029 0.000 3.144 655 T HA 0.412 4.762 4.350 0.000 0.000 0.290 655 T C 0.937 175.633 174.700 -0.006 0.000 0.966 655 T CA -0.080 62.010 62.100 -0.017 0.000 0.907 655 T CB -0.210 68.650 68.868 -0.015 0.000 1.152 655 T HN 0.997 nan 8.240 nan 0.000 0.532 656 G N 1.081 109.879 108.800 -0.003 0.000 2.503 656 G HA2 0.485 4.445 3.960 0.000 0.000 0.257 656 G HA3 0.485 4.445 3.960 0.000 0.000 0.257 656 G C -0.456 174.456 174.900 0.020 0.000 1.214 656 G CA -0.437 44.672 45.100 0.016 0.000 0.839 656 G HN 0.321 nan 8.290 nan 0.000 0.559 657 S N 0.177 115.904 115.700 0.045 0.000 2.513 657 S HA 0.322 4.792 4.470 0.000 0.000 0.276 657 S C -0.627 174.058 174.600 0.140 0.000 1.254 657 S CA -0.220 58.004 58.200 0.039 0.000 1.053 657 S CB 0.292 63.564 63.200 0.121 0.000 0.958 657 S HN 0.533 nan 8.310 nan 0.000 0.491 658 Y N 0.483 120.798 120.300 0.025 0.000 3.078 658 Y HA -0.222 4.328 4.550 0.000 0.000 0.202 658 Y C 0.264 176.184 175.900 0.033 0.000 1.322 658 Y CA 0.363 58.466 58.100 0.006 0.000 1.118 658 Y CB -1.481 36.928 38.460 -0.085 0.000 1.343 658 Y HN 0.399 nan 8.280 nan 0.000 0.499 659 K N 0.112 120.587 120.400 0.125 0.000 2.378 659 K HA 0.746 5.066 4.320 0.000 0.000 0.252 659 K C -0.463 176.202 176.600 0.109 0.000 0.931 659 K CA -1.059 55.296 56.287 0.114 0.000 0.794 659 K CB 2.692 35.236 32.500 0.073 0.000 1.181 659 K HN -0.059 nan 8.250 nan 0.000 0.425 660 V N 3.093 123.103 119.914 0.160 0.000 2.407 660 V HA 0.338 4.458 4.120 0.000 0.000 0.278 660 V C 0.032 176.212 176.094 0.143 0.000 1.037 660 V CA -0.757 61.663 62.300 0.200 0.000 0.900 660 V CB 1.070 33.087 31.823 0.323 0.000 0.983 660 V HN 0.655 nan 8.190 nan 0.000 0.459 661 N N 2.370 120.980 118.700 -0.151 0.000 2.312 661 N HA 0.772 5.512 4.740 0.000 0.000 0.296 661 N C -0.270 174.507 175.510 -1.222 0.000 1.193 661 N CA -0.273 52.410 53.050 -0.613 0.000 0.773 661 N CB 2.797 41.080 38.487 -0.340 0.000 1.435 661 N HN 0.847 nan 8.380 nan 0.000 0.484 662 G N -1.375 106.235 108.800 -1.984 0.000 2.660 662 G HA2 0.773 4.733 3.960 0.000 0.000 0.294 662 G HA3 0.773 4.733 3.960 0.000 0.000 0.294 662 G C -0.932 173.480 174.900 -0.814 0.000 1.369 662 G CA -0.581 43.720 45.100 -1.332 0.000 0.912 662 G HN 0.698 nan 8.290 nan 0.000 0.479 663 G N -1.568 107.064 108.800 -0.281 0.000 2.430 663 G HA2 0.589 4.549 3.960 0.000 0.000 0.300 663 G HA3 0.589 4.549 3.960 0.000 0.000 0.300 663 G C -2.266 172.728 174.900 0.157 0.000 1.330 663 G CA -0.593 44.466 45.100 -0.069 0.000 0.813 663 G HN 1.224 nan 8.290 nan 0.000 0.487 664 F N 0.932 120.890 119.950 0.013 0.000 2.941 664 F HA 0.450 4.977 4.527 0.000 0.000 0.359 664 F C 0.833 176.679 175.800 0.077 0.000 1.231 664 F CA -0.203 57.858 58.000 0.101 0.000 1.089 664 F CB 0.920 39.997 39.000 0.128 0.000 1.407 664 F HN 0.849 nan 8.300 nan 0.000 0.538 665 E N 1.932 121.982 120.200 -0.249 0.000 3.991 665 E HA -0.290 4.060 4.350 0.000 0.000 0.331 665 E C -0.590 175.943 176.600 -0.111 0.000 0.628 665 E CA 1.511 57.777 56.400 -0.223 0.000 1.192 665 E CB -0.890 28.724 29.700 -0.144 0.000 1.683 665 E HN 0.672 nan 8.360 nan 0.000 0.416 666 K N -0.078 120.294 120.400 -0.047 0.000 2.575 666 K HA 0.616 4.936 4.320 0.000 0.000 0.279 666 K C -0.701 175.875 176.600 -0.040 0.000 0.969 666 K CA -0.964 55.299 56.287 -0.040 0.000 0.868 666 K CB 1.304 33.802 32.500 -0.004 0.000 1.457 666 K HN -0.045 nan 8.250 nan 0.000 0.426 667 I N 1.955 122.485 120.570 -0.065 0.000 2.598 667 I HA -0.029 4.141 4.170 0.000 0.000 0.284 667 I C 0.414 176.496 176.117 -0.058 0.000 1.140 667 I CA 0.156 61.394 61.300 -0.103 0.000 1.420 667 I CB 0.147 38.084 38.000 -0.105 0.000 1.387 667 I HN 0.706 nan 8.210 nan 0.000 0.553 668 N N 5.739 124.384 118.700 -0.092 0.000 2.257 668 N HA 0.165 4.905 4.740 0.000 0.000 0.200 668 N C -0.850 174.750 175.510 0.150 0.000 1.163 668 N CA -0.289 52.783 53.050 0.037 0.000 0.891 668 N CB 0.650 39.205 38.487 0.113 0.000 1.067 668 N HN 0.644 nan 8.380 nan 0.000 0.497 669 W N 0.464 121.796 121.300 0.054 0.000 3.137 669 W HA 0.587 5.247 4.660 0.000 0.000 0.324 669 W C -1.872 174.674 176.519 0.045 0.000 1.253 669 W CA -0.577 56.797 57.345 0.048 0.000 1.183 669 W CB 0.922 30.413 29.460 0.051 0.000 1.424 669 W HN -0.291 nan 8.180 nan 0.000 0.566 670 E N 1.741 122.233 120.200 0.486 0.000 2.304 670 E HA 0.499 4.849 4.350 0.000 0.000 0.277 670 E C -1.940 174.883 176.600 0.370 0.000 0.898 670 E CA -0.693 55.919 56.400 0.353 0.000 0.764 670 E CB 2.426 32.216 29.700 0.149 0.000 1.216 670 E HN 0.537 nan 8.360 nan 0.000 0.419 671 L N 3.647 125.090 121.223 0.367 0.000 2.280 671 L HA 0.411 4.751 4.340 0.000 0.000 0.287 671 L C -0.520 176.448 176.870 0.164 0.000 1.023 671 L CA -0.859 54.113 54.840 0.220 0.000 0.819 671 L CB 1.218 43.396 42.059 0.198 0.000 1.212 671 L HN 0.482 nan 8.230 nan 0.000 0.420 672 D N 1.463 121.934 120.400 0.117 0.000 2.467 672 D HA 0.178 4.818 4.640 0.000 0.000 0.220 672 D C 0.777 177.122 176.300 0.074 0.000 1.103 672 D CA -0.186 53.872 54.000 0.096 0.000 0.886 672 D CB 1.434 42.279 40.800 0.076 0.000 1.025 672 D HN 0.371 nan 8.370 nan 0.000 0.514 673 S N 2.631 118.385 115.700 0.091 0.000 2.423 673 S HA -0.127 4.343 4.470 0.000 0.000 0.231 673 S C 1.652 176.241 174.600 -0.017 0.000 1.014 673 S CA 0.116 58.346 58.200 0.050 0.000 0.965 673 S CB 0.040 63.293 63.200 0.089 0.000 0.785 673 S HN 0.522 nan 8.310 nan 0.000 0.495 674 L N 2.500 123.727 121.223 0.006 0.000 2.027 674 L HA 0.055 4.395 4.340 0.000 0.000 0.206 674 L C 1.226 178.060 176.870 -0.060 0.000 1.074 674 L CA 1.814 56.610 54.840 -0.072 0.000 0.745 674 L CB -0.496 41.570 42.059 0.012 0.000 0.898 674 L HN 0.184 nan 8.230 nan 0.000 0.433 675 N N -0.713 117.979 118.700 -0.014 0.000 2.205 675 N HA 0.173 4.913 4.740 0.000 0.000 0.201 675 N C 0.923 176.430 175.510 -0.005 0.000 1.128 675 N CA 0.798 53.841 53.050 -0.011 0.000 0.867 675 N CB 0.581 39.070 38.487 0.005 0.000 0.996 675 N HN 0.404 nan 8.380 nan 0.000 0.503 676 G N 1.850 110.651 108.800 0.001 0.000 2.246 676 G HA2 -0.312 3.648 3.960 0.000 0.000 0.273 676 G HA3 -0.312 3.648 3.960 0.000 0.000 0.273 676 G C -0.127 174.783 174.900 0.018 0.000 1.055 676 G CA 0.054 45.157 45.100 0.007 0.000 0.851 676 G HN 0.289 nan 8.290 nan 0.000 0.500 677 R N -1.042 119.476 120.500 0.031 0.000 2.532 677 R HA 0.748 5.089 4.340 0.000 0.000 0.295 677 R C 0.179 176.514 176.300 0.058 0.000 0.968 677 R CA -0.786 55.338 56.100 0.039 0.000 0.916 677 R CB 1.422 31.746 30.300 0.040 0.000 1.124 677 R HN 0.257 nan 8.270 nan 0.000 0.463 678 I N 2.437 123.041 120.570 0.057 0.000 2.406 678 I HA 0.350 4.520 4.170 0.000 0.000 0.290 678 I C -0.509 175.658 176.117 0.083 0.000 0.999 678 I CA -0.605 60.740 61.300 0.075 0.000 1.124 678 I CB 1.771 39.801 38.000 0.050 0.000 1.289 678 I HN 0.335 nan 8.210 nan 0.000 0.441 679 K N 5.186 125.660 120.400 0.122 0.000 2.397 679 K HA 0.808 5.128 4.320 0.000 0.000 0.253 679 K C -1.091 175.609 176.600 0.167 0.000 0.932 679 K CA -0.609 55.749 56.287 0.119 0.000 0.795 679 K CB 2.647 35.211 32.500 0.105 0.000 1.159 679 K HN 0.647 nan 8.250 nan 0.000 0.424 680 A N 1.961 124.861 122.820 0.134 0.000 2.355 680 A HA 0.390 4.710 4.320 0.000 0.000 0.324 680 A C 0.742 178.395 177.584 0.114 0.000 1.117 680 A CA -0.678 51.453 52.037 0.156 0.000 0.785 680 A CB 1.378 20.451 19.000 0.121 0.000 1.254 680 A HN 0.951 nan 8.150 nan 0.000 0.453 681 R N 0.249 120.820 120.500 0.119 0.000 2.075 681 R HA -0.126 4.214 4.340 0.000 0.000 0.232 681 R C 0.884 177.225 176.300 0.068 0.000 1.126 681 R CA 2.295 58.444 56.100 0.082 0.000 0.963 681 R CB -0.063 30.285 30.300 0.080 0.000 0.858 681 R HN 0.912 nan 8.270 nan 0.000 0.435 682 D N -0.751 119.694 120.400 0.074 0.000 2.432 682 D HA 0.014 4.654 4.640 0.000 0.000 0.270 682 D C -0.256 176.070 176.300 0.043 0.000 1.256 682 D CA 1.079 55.111 54.000 0.052 0.000 1.022 682 D CB 0.235 41.064 40.800 0.048 0.000 0.916 682 D HN 0.191 nan 8.370 nan 0.000 0.253 683 T N -0.864 113.712 114.554 0.036 0.000 2.918 683 T HA 0.600 4.950 4.350 0.000 0.000 0.286 683 T C -0.211 174.504 174.700 0.025 0.000 1.026 683 T CA -0.867 61.246 62.100 0.023 0.000 1.031 683 T CB 1.614 70.485 68.868 0.005 0.000 1.046 683 T HN 0.248 nan 8.240 nan 0.000 0.479 684 V N 0.024 119.949 119.914 0.019 0.000 2.409 684 V HA 0.905 5.025 4.120 0.000 0.000 0.291 684 V C -0.203 175.892 176.094 0.002 0.000 1.020 684 V CA -0.552 61.756 62.300 0.014 0.000 0.848 684 V CB 0.566 32.402 31.823 0.022 0.000 0.990 684 V HN 1.350 nan 8.190 nan 0.000 0.430 685 T N 1.539 116.089 114.554 -0.007 0.000 2.900 685 T HA 0.864 5.214 4.350 0.000 0.000 0.303 685 T C 0.134 174.827 174.700 -0.013 0.000 1.142 685 T CA -0.064 62.026 62.100 -0.017 0.000 1.007 685 T CB 1.594 70.438 68.868 -0.040 0.000 1.156 685 T HN 1.283 nan 8.240 nan 0.000 0.490 686 G N -0.971 107.823 108.800 -0.011 0.000 2.705 686 G HA2 0.592 4.552 3.960 0.000 0.000 0.299 686 G HA3 0.592 4.552 3.960 0.000 0.000 0.299 686 G C 0.929 175.818 174.900 -0.019 0.000 1.315 686 G CA -0.509 44.591 45.100 0.000 0.000 1.045 686 G HN 2.061 nan 8.290 nan 0.000 0.517 687 G N -0.884 107.913 108.800 -0.004 0.000 2.198 687 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 687 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 687 G C 0.276 175.140 174.900 -0.060 0.000 1.025 687 G CA 0.249 45.338 45.100 -0.018 0.000 0.769 687 G HN 0.638 nan 8.290 nan 0.000 0.507 688 N N 0.581 119.224 118.700 -0.095 0.000 2.515 688 N HA 0.567 5.307 4.740 0.000 0.000 0.279 688 N C 0.593 175.957 175.510 -0.242 0.000 1.164 688 N CA 0.813 53.691 53.050 -0.287 0.000 0.982 688 N CB 1.369 39.518 38.487 -0.564 0.000 1.170 688 N HN 0.559 nan 8.380 nan 0.000 0.474 689 T N -2.775 111.574 114.554 -0.342 0.000 2.926 689 T HA 0.447 4.797 4.350 0.000 0.000 0.289 689 T C -0.454 174.061 174.700 -0.308 0.000 1.054 689 T CA -0.806 61.234 62.100 -0.100 0.000 1.015 689 T CB 1.580 70.442 68.868 -0.011 0.000 1.167 689 T HN 0.453 nan 8.240 nan 0.000 0.526 690 W N 2.715 124.008 121.300 -0.012 0.000 1.853 690 W HA 0.498 5.158 4.660 0.000 0.000 0.290 690 W C -0.003 176.510 176.519 -0.010 0.000 0.821 690 W CA -0.681 56.657 57.345 -0.012 0.000 2.222 690 W CB 0.140 29.591 29.460 -0.014 0.000 2.392 690 W HN 1.016 nan 8.180 nan 0.000 0.420 691 S N 0.000 115.735 115.700 0.059 0.000 2.498 691 S HA 0.000 4.470 4.470 0.000 0.000 0.327 691 S CA 0.000 58.225 58.200 0.042 0.000 1.107 691 S CB 0.000 63.227 63.200 0.046 0.000 0.593 691 S HN 0.000 nan 8.310 nan 0.000 0.517