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 2ddh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNPDLRKERA SATFNPELIT HILDGSPENT RRRREIENLI LNDPDFQHED DATA SEQUENCE YNFLTRSQRY EVAVKKSATM VKKMREYGIS DPEEIMWFKN SVHRGHPEPL DATA SEQUENCE DLHLGMFLPT LLXQATAEQQ ERFFMPAWNL EITGTYAQTE MGHGTHLRGL DATA SEQUENCE ETTATYDPKT QEFILNSPTV TSIKWWPGGL GKTSNHAIVL AQLITQGECY DATA SEQUENCE GLHAFVVPIR EIGTHKPLPG ITVGDIGPKF GYEEMDNGYL KMDNYRIPRE DATA SEQUENCE NMLMKYAQVK PDGTYVKPLX XXXXXXXMVF VRSFLVGNAA QSLSKACTIA DATA SEQUENCE IRYSAVRRQS EIKQSEPEPQ ILDFQTQQYK LFPLLATAYA FHFVGRYMKE DATA SEQUENCE TYLRXXXXXX XXXXSELPEL HALTAGLKAF TTWTANAGIE ECRMACGGHG DATA SEQUENCE YSHSSGIPNI YVTFTPACTF EGENTVMMLQ TARFLMKIYD QVRSGKLVGG DATA SEQUENCE MVSYLNDLPS XXXXXXXXXX XXXXVDINSL EGLTEAYKLR AARLVEIAAK DATA SEQUENCE NLQTHVSHRK SKEVAWNLTS VDLVRASEAH CHYVVVKVFS DKLPKIQDKA DATA SEQUENCE VQAVLRNLCL LYSLYGISQK GGDFLEGSII TGAQLSQVNA RILELLTLIR DATA SEQUENCE PNAVALVDAF DFKDMTLGSV LGRYDGNVYE NLFEWAKKSP LNKTEVHESY DATA SEQUENCE HKHLK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 N N 6.043 124.730 118.700 -0.023 0.000 2.411 2 N HA 0.094 4.833 4.740 -0.002 0.000 0.261 2 N C -1.844 173.648 175.510 -0.031 0.000 1.248 2 N CA -0.518 52.518 53.050 -0.024 0.000 0.885 2 N CB 1.100 39.561 38.487 -0.043 0.000 1.062 2 N HN 0.456 nan 8.380 nan 0.000 0.471 3 P HA -0.127 nan 4.420 nan 0.000 0.218 3 P C 0.314 177.595 177.300 -0.032 0.000 1.148 3 P CA 1.111 64.198 63.100 -0.021 0.000 0.822 3 P CB 0.446 32.141 31.700 -0.010 0.000 0.784 4 D N -0.603 119.777 120.400 -0.034 0.000 2.183 4 D HA -0.065 4.574 4.640 -0.002 0.000 0.203 4 D C 1.912 178.177 176.300 -0.058 0.000 0.969 4 D CA 0.686 54.661 54.000 -0.043 0.000 0.842 4 D CB -0.460 40.315 40.800 -0.042 0.000 0.957 4 D HN 0.108 nan 8.370 nan 0.000 0.484 5 L N 0.390 121.569 121.223 -0.073 0.000 2.270 5 L HA 0.083 4.422 4.340 -0.002 0.000 0.210 5 L C 2.212 179.019 176.870 -0.105 0.000 1.104 5 L CA 0.883 55.662 54.840 -0.103 0.000 0.804 5 L CB -0.261 41.712 42.059 -0.143 0.000 0.937 5 L HN -0.143 nan 8.230 nan 0.000 0.450 6 R N 0.265 120.717 120.500 -0.080 0.000 2.090 6 R HA -0.170 4.169 4.340 -0.002 0.000 0.228 6 R C 2.237 178.501 176.300 -0.061 0.000 1.110 6 R CA 1.491 57.551 56.100 -0.067 0.000 0.973 6 R CB -0.041 30.233 30.300 -0.043 0.000 0.869 6 R HN 0.439 nan 8.270 nan 0.000 0.440 7 K N -0.192 120.177 120.400 -0.052 0.000 2.148 7 K HA -0.094 4.225 4.320 -0.002 0.000 0.204 7 K C 1.354 177.923 176.600 -0.052 0.000 1.050 7 K CA 1.203 57.462 56.287 -0.047 0.000 0.942 7 K CB 0.029 32.506 32.500 -0.038 0.000 0.724 7 K HN 0.097 nan 8.250 nan 0.000 0.446 8 E N 1.522 121.687 120.200 -0.058 0.000 2.072 8 E HA -0.101 4.248 4.350 -0.002 0.000 0.190 8 E C 2.112 178.665 176.600 -0.079 0.000 0.982 8 E CA 1.062 57.427 56.400 -0.057 0.000 0.803 8 E CB -0.086 29.584 29.700 -0.051 0.000 0.755 8 E HN 0.415 nan 8.360 nan 0.000 0.453 9 R N 0.536 120.978 120.500 -0.096 0.000 2.148 9 R HA 0.033 4.372 4.340 -0.002 0.000 0.223 9 R C 2.229 178.459 176.300 -0.117 0.000 1.088 9 R CA 0.984 57.012 56.100 -0.120 0.000 0.985 9 R CB -0.162 30.068 30.300 -0.117 0.000 0.880 9 R HN 0.083 nan 8.270 nan 0.000 0.451 10 A N 0.736 123.504 122.820 -0.087 0.000 1.968 10 A HA -0.116 4.203 4.320 -0.002 0.000 0.217 10 A C 2.057 179.596 177.584 -0.075 0.000 1.169 10 A CA 1.518 53.510 52.037 -0.075 0.000 0.638 10 A CB -0.304 18.663 19.000 -0.055 0.000 0.812 10 A HN 0.379 nan 8.150 nan 0.000 0.446 11 S N -0.056 115.602 115.700 -0.069 0.000 2.522 11 S HA 0.413 4.882 4.470 -0.002 0.000 0.227 11 S C 1.025 175.584 174.600 -0.068 0.000 0.986 11 S CA 0.352 58.518 58.200 -0.056 0.000 0.929 11 S CB -0.747 62.429 63.200 -0.040 0.000 0.769 11 S HN 0.881 nan 8.310 nan 0.000 0.529 12 A N 2.258 125.009 122.820 -0.116 0.000 2.531 12 A HA 0.401 4.720 4.320 -0.002 0.000 0.236 12 A C 1.295 178.799 177.584 -0.132 0.000 1.062 12 A CA 0.398 52.334 52.037 -0.169 0.000 0.760 12 A CB -0.028 18.739 19.000 -0.389 0.000 0.995 12 A HN 0.609 nan 8.150 nan 0.000 0.501 13 T N -0.685 113.861 114.554 -0.014 0.000 3.122 13 T HA 0.458 4.807 4.350 -0.002 0.000 0.250 13 T C -0.041 174.728 174.700 0.115 0.000 1.067 13 T CA 0.338 62.464 62.100 0.043 0.000 0.966 13 T CB -0.964 67.950 68.868 0.077 0.000 1.002 13 T HN 0.992 nan 8.240 nan 0.000 0.542 14 F N -1.134 118.777 119.950 -0.065 0.000 2.685 14 F HA 0.738 5.264 4.527 -0.002 0.000 0.315 14 F C -1.197 174.564 175.800 -0.065 0.000 1.126 14 F CA -1.764 56.198 58.000 -0.065 0.000 0.950 14 F CB 0.881 39.834 39.000 -0.079 0.000 1.360 14 F HN -0.193 nan 8.300 nan 0.000 0.469 15 N N 3.143 121.824 118.700 -0.031 0.000 2.500 15 N HA 0.367 5.106 4.740 -0.002 0.000 0.236 15 N C -1.771 173.733 175.510 -0.010 0.000 1.022 15 N CA -2.921 50.051 53.050 -0.131 0.000 0.935 15 N CB 1.055 39.521 38.487 -0.035 0.000 1.147 15 N HN 0.413 nan 8.380 nan 0.000 0.512 16 P HA -0.200 nan 4.420 nan 0.000 0.217 16 P C 0.844 178.124 177.300 -0.034 0.000 1.148 16 P CA 1.013 64.151 63.100 0.064 0.000 0.828 16 P CB 0.569 32.215 31.700 -0.091 0.000 0.783 17 E N 0.445 120.564 120.200 -0.134 0.000 2.130 17 E HA -0.166 4.183 4.350 -0.002 0.000 0.196 17 E C 2.113 178.415 176.600 -0.496 0.000 0.998 17 E CA 1.110 57.333 56.400 -0.294 0.000 0.806 17 E CB -1.098 28.462 29.700 -0.232 0.000 0.738 17 E HN 0.217 nan 8.360 nan 0.000 0.459 18 L N -0.153 120.944 121.223 -0.210 0.000 2.141 18 L HA -0.115 4.224 4.340 -0.002 0.000 0.209 18 L C 2.414 179.264 176.870 -0.034 0.000 1.094 18 L CA 0.857 55.644 54.840 -0.087 0.000 0.763 18 L CB -0.384 41.711 42.059 0.058 0.000 0.908 18 L HN 0.210 nan 8.230 nan 0.000 0.437 19 I N -0.514 120.052 120.570 -0.008 0.000 2.353 19 I HA -0.212 3.957 4.170 -0.002 0.000 0.248 19 I C 2.485 178.588 176.117 -0.022 0.000 1.119 19 I CA 1.178 62.493 61.300 0.026 0.000 1.417 19 I CB -0.359 37.664 38.000 0.039 0.000 1.078 19 I HN 0.230 nan 8.210 nan 0.000 0.421 20 T N -0.483 113.998 114.554 -0.123 0.000 2.720 20 T HA -0.213 4.136 4.350 -0.002 0.000 0.268 20 T C 1.838 176.519 174.700 -0.032 0.000 1.037 20 T CA 1.425 63.442 62.100 -0.138 0.000 1.144 20 T CB -0.417 68.328 68.868 -0.205 0.000 0.864 20 T HN 0.318 nan 8.240 nan 0.000 0.444 21 H N 0.829 119.899 119.070 -0.000 0.000 2.352 21 H HA 0.048 4.603 4.556 -0.002 0.000 0.299 21 H C 2.344 177.697 175.328 0.042 0.000 1.097 21 H CA 0.853 56.910 56.048 0.014 0.000 1.311 21 H CB -0.721 29.054 29.762 0.022 0.000 1.377 21 H HN 0.363 nan 8.280 nan 0.000 0.504 22 I N 0.337 121.015 120.570 0.181 0.000 2.179 22 I HA -0.254 3.915 4.170 -0.002 0.000 0.242 22 I C 2.397 178.600 176.117 0.144 0.000 1.088 22 I CA 0.932 62.337 61.300 0.175 0.000 1.357 22 I CB -0.324 37.804 38.000 0.213 0.000 1.051 22 I HN 0.104 nan 8.210 nan 0.000 0.409 23 L N 0.220 121.479 121.223 0.061 0.000 2.042 23 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 23 L C 1.944 178.837 176.870 0.037 0.000 1.076 23 L CA 1.317 56.136 54.840 -0.037 0.000 0.749 23 L CB -0.678 41.272 42.059 -0.182 0.000 0.893 23 L HN 0.302 nan 8.230 nan 0.000 0.432 24 D N -0.653 119.792 120.400 0.074 0.000 2.317 24 D HA -0.008 4.631 4.640 -0.002 0.000 0.211 24 D C 1.736 178.144 176.300 0.181 0.000 0.966 24 D CA 1.228 55.314 54.000 0.142 0.000 0.876 24 D CB 0.565 41.422 40.800 0.095 0.000 0.927 24 D HN 0.475 nan 8.370 nan 0.000 0.519 25 G N 0.601 109.489 108.800 0.147 0.000 2.232 25 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.226 25 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.226 25 G C 0.302 175.270 174.900 0.114 0.000 0.996 25 G CA 0.451 45.634 45.100 0.137 0.000 0.626 25 G HN 0.739 nan 8.290 nan 0.000 0.509 26 S N -2.018 113.746 115.700 0.107 0.000 2.683 26 S HA 0.593 5.062 4.470 -0.002 0.000 0.278 26 S C -2.506 172.082 174.600 -0.020 0.000 1.059 26 S CA 0.002 58.230 58.200 0.046 0.000 0.847 26 S CB 1.357 64.581 63.200 0.040 0.000 1.078 26 S HN -0.031 nan 8.310 nan 0.000 0.456 27 P HA -0.092 nan 4.420 nan 0.000 0.218 27 P C 1.308 178.503 177.300 -0.174 0.000 1.149 27 P CA 1.504 64.314 63.100 -0.483 0.000 0.817 27 P CB -0.002 31.316 31.700 -0.636 0.000 0.785 28 E N -0.442 119.707 120.200 -0.085 0.000 2.152 28 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 28 E C 1.513 178.125 176.600 0.020 0.000 0.983 28 E CA 1.053 57.440 56.400 -0.022 0.000 0.818 28 E CB -1.507 28.197 29.700 0.007 0.000 0.758 28 E HN 0.443 nan 8.360 nan 0.000 0.467 29 N N 0.576 119.313 118.700 0.061 0.000 2.142 29 N HA -0.079 4.659 4.740 -0.002 0.000 0.186 29 N C 1.687 177.135 175.510 -0.103 0.000 1.023 29 N CA 1.578 54.705 53.050 0.128 0.000 0.852 29 N CB -0.054 38.591 38.487 0.263 0.000 0.998 29 N HN 0.105 nan 8.380 nan 0.000 0.424 30 T N 0.994 115.516 114.554 -0.053 0.000 2.684 30 T HA -0.191 4.158 4.350 -0.002 0.000 0.267 30 T C 1.843 176.450 174.700 -0.155 0.000 1.036 30 T CA 1.066 63.109 62.100 -0.096 0.000 1.148 30 T CB -0.195 68.736 68.868 0.106 0.000 0.863 30 T HN 0.269 nan 8.240 nan 0.000 0.436 31 R N 0.602 121.050 120.500 -0.087 0.000 2.083 31 R HA -0.104 4.234 4.340 -0.002 0.000 0.237 31 R C 2.564 178.797 176.300 -0.112 0.000 1.137 31 R CA 1.523 57.575 56.100 -0.080 0.000 0.951 31 R CB -0.123 30.151 30.300 -0.044 0.000 0.851 31 R HN 0.092 nan 8.270 nan 0.000 0.434 32 R N 0.715 121.148 120.500 -0.112 0.000 2.075 32 R HA -0.082 4.256 4.340 -0.002 0.000 0.232 32 R C 2.385 178.530 176.300 -0.257 0.000 1.126 32 R CA 1.879 57.937 56.100 -0.071 0.000 0.963 32 R CB -0.411 29.960 30.300 0.119 0.000 0.858 32 R HN 0.230 nan 8.270 nan 0.000 0.435 33 R N 0.028 120.093 120.500 -0.724 0.000 2.070 33 R HA -0.085 4.254 4.340 -0.002 0.000 0.233 33 R C 2.133 178.169 176.300 -0.441 0.000 1.137 33 R CA 1.755 57.245 56.100 -1.016 0.000 0.945 33 R CB -0.167 29.218 30.300 -1.526 0.000 0.845 33 R HN 0.150 nan 8.270 nan 0.000 0.430 34 R N 0.281 120.588 120.500 -0.322 0.000 2.105 34 R HA -0.137 4.202 4.340 -0.002 0.000 0.239 34 R C 2.229 178.452 176.300 -0.129 0.000 1.135 34 R CA 1.934 57.919 56.100 -0.191 0.000 0.967 34 R CB -0.157 30.054 30.300 -0.149 0.000 0.861 34 R HN 0.472 nan 8.270 nan 0.000 0.442 35 E N 0.343 120.477 120.200 -0.109 0.000 2.107 35 E HA -0.132 4.217 4.350 -0.002 0.000 0.191 35 E C 2.016 178.597 176.600 -0.032 0.000 0.982 35 E CA 0.854 57.219 56.400 -0.058 0.000 0.809 35 E CB -0.006 29.672 29.700 -0.036 0.000 0.756 35 E HN 0.350 nan 8.360 nan 0.000 0.459 36 I N 1.230 121.795 120.570 -0.009 0.000 2.315 36 I HA -0.229 3.940 4.170 -0.002 0.000 0.248 36 I C 2.182 178.284 176.117 -0.026 0.000 1.117 36 I CA 1.090 62.430 61.300 0.066 0.000 1.404 36 I CB -0.133 38.002 38.000 0.224 0.000 1.071 36 I HN 0.094 nan 8.210 nan 0.000 0.419 37 E N 0.608 120.767 120.200 -0.067 0.000 2.077 37 E HA -0.249 4.100 4.350 -0.002 0.000 0.193 37 E C 1.933 178.484 176.600 -0.082 0.000 0.989 37 E CA 1.113 57.459 56.400 -0.090 0.000 0.800 37 E CB -0.224 29.421 29.700 -0.092 0.000 0.746 37 E HN 0.451 nan 8.360 nan 0.000 0.452 38 N N 1.025 119.685 118.700 -0.066 0.000 2.188 38 N HA -0.166 4.573 4.740 -0.002 0.000 0.184 38 N C 2.083 177.573 175.510 -0.033 0.000 1.018 38 N CA 0.594 53.614 53.050 -0.050 0.000 0.858 38 N CB 0.039 38.496 38.487 -0.049 0.000 0.989 38 N HN 0.097 nan 8.380 nan 0.000 0.426 39 L N 1.253 122.458 121.223 -0.029 0.000 2.079 39 L HA -0.106 4.233 4.340 -0.002 0.000 0.210 39 L C 2.035 178.926 176.870 0.035 0.000 1.081 39 L CA 1.381 56.222 54.840 0.001 0.000 0.752 39 L CB -0.468 41.598 42.059 0.012 0.000 0.896 39 L HN 0.158 nan 8.230 nan 0.000 0.433 40 I N -1.179 119.355 120.570 -0.060 0.000 2.339 40 I HA -0.137 4.031 4.170 -0.002 0.000 0.245 40 I C 2.399 178.522 176.117 0.010 0.000 1.096 40 I CA 0.876 62.126 61.300 -0.084 0.000 1.408 40 I CB -1.254 36.495 38.000 -0.419 0.000 1.092 40 I HN 0.322 nan 8.210 nan 0.000 0.423 41 L N 1.715 122.916 121.223 -0.037 0.000 2.043 41 L HA -0.187 4.151 4.340 -0.002 0.000 0.212 41 L C 1.624 178.498 176.870 0.008 0.000 1.075 41 L CA 2.014 56.842 54.840 -0.021 0.000 0.752 41 L CB -0.767 41.270 42.059 -0.036 0.000 0.891 41 L HN 0.254 nan 8.230 nan 0.000 0.432 42 N N -0.168 118.541 118.700 0.016 0.000 2.313 42 N HA -0.000 4.739 4.740 -0.002 0.000 0.207 42 N C -0.351 175.184 175.510 0.041 0.000 1.141 42 N CA 0.147 53.209 53.050 0.020 0.000 0.830 42 N CB -0.294 38.197 38.487 0.008 0.000 1.008 42 N HN 0.416 nan 8.380 nan 0.000 0.481 43 D N 0.805 121.255 120.400 0.083 0.000 2.317 43 D HA 0.219 4.858 4.640 -0.002 0.000 0.234 43 D C -1.738 174.581 176.300 0.031 0.000 1.112 43 D CA -2.164 51.889 54.000 0.088 0.000 0.840 43 D CB 2.052 42.980 40.800 0.214 0.000 1.078 43 D HN -0.076 nan 8.370 nan 0.000 0.486 44 P HA -0.090 nan 4.420 nan 0.000 0.218 44 P C 0.603 177.846 177.300 -0.095 0.000 1.148 44 P CA 0.728 63.802 63.100 -0.043 0.000 0.822 44 P CB 0.375 32.048 31.700 -0.045 0.000 0.784 45 D N -1.711 118.564 120.400 -0.208 0.000 2.309 45 D HA -0.097 4.542 4.640 -0.002 0.000 0.212 45 D C 1.076 177.112 176.300 -0.439 0.000 0.968 45 D CA 1.070 54.840 54.000 -0.382 0.000 0.882 45 D CB -0.410 40.034 40.800 -0.592 0.000 0.918 45 D HN 0.333 nan 8.370 nan 0.000 0.503 46 F N 0.083 120.016 119.950 -0.028 0.000 2.653 46 F HA 0.148 4.674 4.527 -0.002 0.000 0.304 46 F C 0.886 176.693 175.800 0.012 0.000 1.092 46 F CA -0.519 57.461 58.000 -0.033 0.000 1.279 46 F CB 0.562 39.514 39.000 -0.080 0.000 1.044 46 F HN -0.330 nan 8.300 nan 0.000 0.564 47 Q N 1.475 121.347 119.800 0.121 0.000 2.214 47 Q HA 0.400 4.739 4.340 -0.002 0.000 0.251 47 Q C -0.139 175.896 176.000 0.059 0.000 0.936 47 Q CA -0.106 55.708 55.803 0.018 0.000 0.894 47 Q CB 1.527 30.246 28.738 -0.031 0.000 1.252 47 Q HN 0.426 nan 8.270 nan 0.000 0.448 48 H N -1.872 117.128 119.070 -0.117 0.000 2.876 48 H HA 0.321 4.876 4.556 -0.002 0.000 0.284 48 H C -0.859 174.377 175.328 -0.154 0.000 1.445 48 H CA -0.710 55.252 56.048 -0.142 0.000 1.141 48 H CB 0.627 30.270 29.762 -0.197 0.000 1.816 48 H HN 0.415 nan 8.280 nan 0.000 0.511 49 E N 1.082 121.271 120.200 -0.018 0.000 2.418 49 E HA -0.050 4.298 4.350 -0.002 0.000 0.261 49 E C -0.138 176.376 176.600 -0.145 0.000 1.070 49 E CA 0.133 56.508 56.400 -0.041 0.000 0.931 49 E CB 0.512 30.248 29.700 0.059 0.000 0.954 49 E HN 0.472 nan 8.360 nan 0.000 0.439 50 D N 1.811 122.087 120.400 -0.207 0.000 2.531 50 D HA -0.142 4.497 4.640 -0.002 0.000 0.239 50 D C 0.780 176.988 176.300 -0.153 0.000 1.144 50 D CA 0.579 54.384 54.000 -0.325 0.000 0.869 50 D CB 0.327 40.661 40.800 -0.777 0.000 1.160 50 D HN 0.401 nan 8.370 nan 0.000 0.484 51 Y N 2.830 123.071 120.300 -0.099 0.000 2.151 51 Y HA -0.258 4.291 4.550 -0.002 0.000 0.284 51 Y C 2.254 178.150 175.900 -0.006 0.000 1.166 51 Y CA 1.211 59.295 58.100 -0.026 0.000 1.163 51 Y CB -0.062 38.341 38.460 -0.094 0.000 0.974 51 Y HN 0.493 nan 8.280 nan 0.000 0.511 52 N N -0.407 118.350 118.700 0.096 0.000 2.443 52 N HA -0.152 4.587 4.740 -0.002 0.000 0.184 52 N C 1.107 176.784 175.510 0.278 0.000 1.037 52 N CA 1.197 54.292 53.050 0.075 0.000 0.896 52 N CB -0.525 37.993 38.487 0.051 0.000 0.959 52 N HN 0.435 nan 8.380 nan 0.000 0.442 53 F N 0.404 120.372 119.950 0.030 0.000 2.765 53 F HA 0.250 4.776 4.527 -0.002 0.000 0.302 53 F C 0.640 176.444 175.800 0.007 0.000 1.111 53 F CA -0.398 57.585 58.000 -0.029 0.000 1.359 53 F CB 0.442 39.388 39.000 -0.090 0.000 1.097 53 F HN -0.189 nan 8.300 nan 0.000 0.577 54 L N 0.153 121.508 121.223 0.220 0.000 2.330 54 L HA 0.360 4.699 4.340 -0.002 0.000 0.271 54 L C 0.610 177.566 176.870 0.143 0.000 1.013 54 L CA -0.978 53.953 54.840 0.152 0.000 0.816 54 L CB 1.842 43.977 42.059 0.127 0.000 1.287 54 L HN -0.057 nan 8.230 nan 0.000 0.435 55 T N -2.282 112.341 114.554 0.115 0.000 2.766 55 T HA 0.103 4.452 4.350 -0.002 0.000 0.295 55 T C 1.094 175.871 174.700 0.127 0.000 1.024 55 T CA -0.331 61.836 62.100 0.112 0.000 1.018 55 T CB 1.064 69.987 68.868 0.092 0.000 1.002 55 T HN 0.670 nan 8.240 nan 0.000 0.532 56 R N 0.136 120.710 120.500 0.124 0.000 2.091 56 R HA -0.127 4.212 4.340 -0.002 0.000 0.238 56 R C 2.669 179.059 176.300 0.150 0.000 1.136 56 R CA 1.763 57.944 56.100 0.135 0.000 0.959 56 R CB -0.821 29.548 30.300 0.114 0.000 0.856 56 R HN 0.780 nan 8.270 nan 0.000 0.437 57 S N 0.317 116.094 115.700 0.128 0.000 2.370 57 S HA -0.195 4.274 4.470 -0.002 0.000 0.226 57 S C 1.815 176.509 174.600 0.157 0.000 1.033 57 S CA 1.507 59.795 58.200 0.147 0.000 1.011 57 S CB -0.047 63.216 63.200 0.104 0.000 0.852 57 S HN 0.479 nan 8.310 nan 0.000 0.457 58 Q N -0.137 119.730 119.800 0.112 0.000 2.230 58 Q HA 0.047 4.386 4.340 -0.002 0.000 0.202 58 Q C 2.530 178.576 176.000 0.076 0.000 0.963 58 Q CA 0.779 56.625 55.803 0.072 0.000 0.866 58 Q CB -0.088 28.684 28.738 0.057 0.000 0.931 58 Q HN 0.490 nan 8.270 nan 0.000 0.452 59 R N -0.280 120.311 120.500 0.151 0.000 2.073 59 R HA -0.142 4.197 4.340 -0.002 0.000 0.229 59 R C 2.159 178.583 176.300 0.206 0.000 1.120 59 R CA 1.254 57.489 56.100 0.225 0.000 0.967 59 R CB -0.352 30.116 30.300 0.280 0.000 0.862 59 R HN 0.295 nan 8.270 nan 0.000 0.436 60 Y N 2.175 122.522 120.300 0.079 0.000 2.181 60 Y HA -0.247 4.301 4.550 -0.002 0.000 0.288 60 Y C 2.270 178.186 175.900 0.028 0.000 1.146 60 Y CA 1.857 59.986 58.100 0.050 0.000 1.164 60 Y CB -0.389 38.090 38.460 0.032 0.000 0.982 60 Y HN 0.099 nan 8.280 nan 0.000 0.515 61 E N -0.506 119.592 120.200 -0.169 0.000 2.031 61 E HA -0.220 4.128 4.350 -0.002 0.000 0.193 61 E C 2.319 178.778 176.600 -0.234 0.000 0.994 61 E CA 1.789 58.029 56.400 -0.267 0.000 0.800 61 E CB -0.556 29.083 29.700 -0.102 0.000 0.752 61 E HN 0.346 nan 8.360 nan 0.000 0.447 62 V N 0.556 120.364 119.914 -0.177 0.000 2.490 62 V HA -0.215 3.904 4.120 -0.002 0.000 0.250 62 V C 2.171 178.156 176.094 -0.182 0.000 1.061 62 V CA 2.008 64.153 62.300 -0.258 0.000 1.064 62 V CB -0.446 31.083 31.823 -0.490 0.000 0.670 62 V HN 0.493 nan 8.190 nan 0.000 0.461 63 A N -0.559 122.221 122.820 -0.065 0.000 1.877 63 A HA -0.149 4.169 4.320 -0.002 0.000 0.216 63 A C 2.345 179.923 177.584 -0.010 0.000 1.186 63 A CA 2.195 54.275 52.037 0.072 0.000 0.620 63 A CB -0.834 18.221 19.000 0.091 0.000 0.822 63 A HN 0.415 nan 8.150 nan 0.000 0.443 64 V N 0.443 120.221 119.914 -0.227 0.000 2.287 64 V HA -0.299 3.820 4.120 -0.002 0.000 0.248 64 V C 2.566 178.575 176.094 -0.143 0.000 1.053 64 V CA 2.473 64.622 62.300 -0.251 0.000 1.027 64 V CB -0.700 30.850 31.823 -0.456 0.000 0.646 64 V HN 0.712 nan 8.190 nan 0.000 0.447 65 K N 0.280 120.590 120.400 -0.150 0.000 2.009 65 K HA -0.244 4.075 4.320 -0.002 0.000 0.210 65 K C 2.247 178.821 176.600 -0.044 0.000 1.049 65 K CA 1.850 58.069 56.287 -0.114 0.000 0.929 65 K CB -0.170 32.248 32.500 -0.136 0.000 0.714 65 K HN 0.397 nan 8.250 nan 0.000 0.440 66 K N 0.089 120.493 120.400 0.007 0.000 2.097 66 K HA -0.056 4.263 4.320 -0.002 0.000 0.205 66 K C 2.279 178.995 176.600 0.193 0.000 1.050 66 K CA 1.407 57.773 56.287 0.131 0.000 0.938 66 K CB -0.027 32.494 32.500 0.035 0.000 0.718 66 K HN 0.082 nan 8.250 nan 0.000 0.442 67 S N 0.956 116.773 115.700 0.194 0.000 2.368 67 S HA -0.122 4.347 4.470 -0.002 0.000 0.224 67 S C 2.127 176.764 174.600 0.062 0.000 1.029 67 S CA 1.202 59.520 58.200 0.197 0.000 0.988 67 S CB -0.156 63.112 63.200 0.114 0.000 0.838 67 S HN 0.429 nan 8.310 nan 0.000 0.462 68 A N 1.167 123.980 122.820 -0.013 0.000 1.902 68 A HA -0.106 4.212 4.320 -0.002 0.000 0.217 68 A C 2.307 179.865 177.584 -0.044 0.000 1.181 68 A CA 2.040 54.032 52.037 -0.075 0.000 0.623 68 A CB -1.287 17.648 19.000 -0.107 0.000 0.818 68 A HN 0.478 nan 8.150 nan 0.000 0.443 69 T N -0.218 114.341 114.554 0.008 0.000 2.821 69 T HA -0.153 4.196 4.350 -0.002 0.000 0.267 69 T C 1.905 176.710 174.700 0.176 0.000 1.046 69 T CA 1.560 63.666 62.100 0.010 0.000 1.139 69 T CB -0.304 68.507 68.868 -0.095 0.000 0.871 69 T HN 0.556 nan 8.240 nan 0.000 0.454 70 M N 1.063 120.857 119.600 0.322 0.000 2.080 70 M HA -0.131 4.348 4.480 -0.002 0.000 0.260 70 M C 2.090 178.454 176.300 0.106 0.000 1.068 70 M CA 1.715 57.241 55.300 0.376 0.000 1.109 70 M CB -0.334 32.440 32.600 0.290 0.000 1.342 70 M HN 0.080 nan 8.290 nan 0.000 0.405 71 V N 0.822 120.723 119.914 -0.021 0.000 2.343 71 V HA -0.283 3.836 4.120 -0.002 0.000 0.247 71 V C 2.408 178.368 176.094 -0.224 0.000 1.051 71 V CA 2.272 64.469 62.300 -0.172 0.000 1.036 71 V CB -0.966 30.714 31.823 -0.238 0.000 0.654 71 V HN 0.558 nan 8.190 nan 0.000 0.451 72 K N 0.267 120.565 120.400 -0.169 0.000 2.032 72 K HA -0.211 4.108 4.320 -0.002 0.000 0.209 72 K C 2.248 178.716 176.600 -0.220 0.000 1.048 72 K CA 1.584 57.762 56.287 -0.182 0.000 0.927 72 K CB -0.108 32.308 32.500 -0.141 0.000 0.712 72 K HN 0.382 nan 8.250 nan 0.000 0.441 73 K N 0.105 120.376 120.400 -0.214 0.000 2.057 73 K HA -0.080 4.239 4.320 -0.002 0.000 0.206 73 K C 2.225 178.470 176.600 -0.592 0.000 1.050 73 K CA 1.465 57.477 56.287 -0.459 0.000 0.935 73 K CB -0.129 32.243 32.500 -0.214 0.000 0.715 73 K HN 0.270 nan 8.250 nan 0.000 0.439 74 M N 0.390 119.708 119.600 -0.469 0.000 2.159 74 M HA -0.166 4.313 4.480 -0.002 0.000 0.263 74 M C 2.419 178.589 176.300 -0.217 0.000 1.063 74 M CA 1.453 56.465 55.300 -0.480 0.000 1.110 74 M CB -0.296 31.992 32.600 -0.520 0.000 1.374 74 M HN 0.117 nan 8.290 nan 0.000 0.411 75 R N 0.516 120.894 120.500 -0.203 0.000 2.090 75 R HA -0.188 4.151 4.340 -0.002 0.000 0.228 75 R C 2.015 178.295 176.300 -0.033 0.000 1.110 75 R CA 1.773 57.827 56.100 -0.076 0.000 0.973 75 R CB -0.039 30.172 30.300 -0.148 0.000 0.869 75 R HN 0.220 nan 8.270 nan 0.000 0.440 76 E N -0.223 119.897 120.200 -0.133 0.000 2.072 76 E HA -0.180 4.169 4.350 -0.002 0.000 0.191 76 E C 1.136 177.783 176.600 0.078 0.000 0.985 76 E CA 1.373 57.726 56.400 -0.078 0.000 0.801 76 E CB -0.239 29.340 29.700 -0.202 0.000 0.750 76 E HN 0.436 nan 8.360 nan 0.000 0.452 77 Y N -0.093 120.215 120.300 0.014 0.000 2.583 77 Y HA 0.299 4.848 4.550 -0.002 0.000 0.293 77 Y C 1.583 177.495 175.900 0.021 0.000 1.157 77 Y CA 0.388 58.504 58.100 0.027 0.000 1.315 77 Y CB -0.371 38.109 38.460 0.034 0.000 1.021 77 Y HN 0.197 nan 8.280 nan 0.000 0.536 78 G N 1.177 110.068 108.800 0.151 0.000 2.273 78 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.280 78 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.280 78 G C -0.017 174.940 174.900 0.095 0.000 1.047 78 G CA 0.050 45.218 45.100 0.113 0.000 0.869 78 G HN 0.365 nan 8.290 nan 0.000 0.502 79 I N 1.388 121.995 120.570 0.062 0.000 2.322 79 I HA 0.300 4.468 4.170 -0.002 0.000 0.292 79 I C 1.404 177.537 176.117 0.025 0.000 1.060 79 I CA 0.428 61.746 61.300 0.031 0.000 1.309 79 I CB 1.231 39.195 38.000 -0.059 0.000 1.415 79 I HN 0.297 nan 8.210 nan 0.000 0.492 80 S N 1.835 117.562 115.700 0.046 0.000 2.593 80 S HA 0.052 4.521 4.470 -0.002 0.000 0.235 80 S C 0.337 174.956 174.600 0.031 0.000 1.059 80 S CA -0.509 57.724 58.200 0.054 0.000 0.953 80 S CB -0.056 63.185 63.200 0.067 0.000 0.897 80 S HN 0.632 nan 8.310 nan 0.000 0.507 81 D N 4.780 125.192 120.400 0.020 0.000 2.434 81 D HA 0.191 4.830 4.640 -0.002 0.000 0.252 81 D C -0.914 175.360 176.300 -0.044 0.000 1.185 81 D CA -1.556 52.439 54.000 -0.009 0.000 0.886 81 D CB 1.125 41.918 40.800 -0.012 0.000 1.148 81 D HN 0.055 nan 8.370 nan 0.000 0.483 82 P HA -0.223 nan 4.420 nan 0.000 0.216 82 P C 1.033 178.256 177.300 -0.130 0.000 1.150 82 P CA 1.175 64.248 63.100 -0.046 0.000 0.843 82 P CB 0.295 31.991 31.700 -0.006 0.000 0.787 83 E N 0.173 120.229 120.200 -0.241 0.000 2.047 83 E HA -0.168 4.181 4.350 -0.002 0.000 0.191 83 E C 2.122 178.207 176.600 -0.858 0.000 0.987 83 E CA 0.941 57.002 56.400 -0.566 0.000 0.799 83 E CB -0.133 29.201 29.700 -0.611 0.000 0.752 83 E HN 0.303 nan 8.360 nan 0.000 0.449 84 E N 0.348 120.254 120.200 -0.491 0.000 2.110 84 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 84 E C 2.234 178.880 176.600 0.077 0.000 0.988 84 E CA 0.893 57.240 56.400 -0.088 0.000 0.804 84 E CB -0.097 29.680 29.700 0.129 0.000 0.745 84 E HN 0.374 nan 8.360 nan 0.000 0.458 85 I N 0.902 121.472 120.570 -0.001 0.000 2.208 85 I HA -0.318 3.851 4.170 -0.002 0.000 0.245 85 I C 2.669 178.860 176.117 0.123 0.000 1.097 85 I CA 1.107 62.443 61.300 0.059 0.000 1.363 85 I CB -0.176 37.829 38.000 0.009 0.000 1.051 85 I HN 0.203 nan 8.210 nan 0.000 0.413 86 M N -0.017 119.592 119.600 0.015 0.000 2.067 86 M HA -0.239 4.240 4.480 -0.002 0.000 0.260 86 M C 2.247 178.677 176.300 0.217 0.000 1.069 86 M CA 2.054 57.396 55.300 0.070 0.000 1.117 86 M CB -0.207 32.378 32.600 -0.025 0.000 1.334 86 M HN 0.225 nan 8.290 nan 0.000 0.407 87 W N -0.052 121.350 121.300 0.171 0.000 2.318 87 W HA -0.254 4.405 4.660 -0.002 0.000 0.313 87 W C 2.292 178.894 176.519 0.138 0.000 1.221 87 W CA 1.118 58.548 57.345 0.142 0.000 1.266 87 W CB -1.720 27.817 29.460 0.127 0.000 1.150 87 W HN 0.281 nan 8.180 nan 0.000 0.496 88 F N 1.366 121.480 119.950 0.274 0.000 2.043 88 F HA -0.291 4.235 4.527 -0.002 0.000 0.297 88 F C 2.416 178.246 175.800 0.051 0.000 1.121 88 F CA 2.625 60.705 58.000 0.133 0.000 1.199 88 F CB -0.424 38.646 39.000 0.118 0.000 0.968 88 F HN -0.220 nan 8.300 nan 0.000 0.478 89 K N 0.060 120.672 120.400 0.353 0.000 2.063 89 K HA -0.223 4.096 4.320 -0.002 0.000 0.208 89 K C 1.819 178.539 176.600 0.201 0.000 1.048 89 K CA 2.013 58.462 56.287 0.270 0.000 0.928 89 K CB -0.557 32.094 32.500 0.251 0.000 0.713 89 K HN 0.458 nan 8.250 nan 0.000 0.442 90 N N 0.184 119.002 118.700 0.197 0.000 2.069 90 N HA -0.140 4.599 4.740 -0.002 0.000 0.191 90 N C 1.854 177.421 175.510 0.095 0.000 1.031 90 N CA 1.269 54.428 53.050 0.181 0.000 0.852 90 N CB -0.038 38.585 38.487 0.227 0.000 1.018 90 N HN 0.045 nan 8.380 nan 0.000 0.423 91 S N 0.435 116.141 115.700 0.011 0.000 2.356 91 S HA -0.085 4.384 4.470 -0.002 0.000 0.223 91 S C 2.221 176.689 174.600 -0.220 0.000 1.032 91 S CA 0.740 58.879 58.200 -0.103 0.000 1.005 91 S CB -0.295 62.792 63.200 -0.189 0.000 0.867 91 S HN 0.106 nan 8.310 nan 0.000 0.449 92 V N 1.498 121.165 119.914 -0.412 0.000 2.343 92 V HA -0.164 3.955 4.120 -0.002 0.000 0.247 92 V C 1.771 177.606 176.094 -0.432 0.000 1.051 92 V CA 1.580 63.489 62.300 -0.651 0.000 1.036 92 V CB -0.592 30.652 31.823 -0.964 0.000 0.654 92 V HN 0.580 nan 8.190 nan 0.000 0.451 93 H N -0.257 118.805 119.070 -0.015 0.000 2.529 93 H HA 0.263 4.818 4.556 -0.002 0.000 0.277 93 H C 0.897 176.325 175.328 0.167 0.000 1.004 93 H CA -0.029 56.085 56.048 0.109 0.000 1.167 93 H CB 0.083 29.898 29.762 0.087 0.000 1.445 93 H HN 0.422 nan 8.280 nan 0.000 0.554 94 R N -0.218 120.390 120.500 0.181 0.000 3.627 94 R HA -0.245 4.094 4.340 -0.002 0.000 0.281 94 R C 1.165 177.622 176.300 0.263 0.000 1.140 94 R CA 0.490 56.704 56.100 0.189 0.000 0.761 94 R CB -2.131 28.286 30.300 0.194 0.000 1.181 94 R HN 0.638 nan 8.270 nan 0.000 0.472 95 G N -1.284 107.644 108.800 0.214 0.000 2.217 95 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.246 95 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.246 95 G C 0.051 174.986 174.900 0.058 0.000 0.990 95 G CA 0.563 45.739 45.100 0.126 0.000 0.627 95 G HN 0.554 nan 8.290 nan 0.000 0.522 96 H N 1.902 120.926 119.070 -0.076 0.000 2.615 96 H HA 0.504 5.059 4.556 -0.002 0.000 0.363 96 H C -1.893 173.292 175.328 -0.238 0.000 1.148 96 H CA -1.150 54.757 56.048 -0.235 0.000 1.401 96 H CB 0.397 29.866 29.762 -0.488 0.000 1.461 96 H HN 0.184 nan 8.280 nan 0.000 0.588 97 P HA 0.105 nan 4.420 nan 0.000 0.270 97 P C -0.817 176.307 177.300 -0.293 0.000 1.223 97 P CA -0.251 62.622 63.100 -0.377 0.000 0.785 97 P CB 0.597 31.812 31.700 -0.807 0.000 0.923 98 E N 1.034 121.051 120.200 -0.305 0.000 2.308 98 E HA 0.321 4.670 4.350 -0.002 0.000 0.275 98 E C -2.476 174.044 176.600 -0.134 0.000 0.890 98 E CA -2.145 54.056 56.400 -0.332 0.000 0.754 98 E CB 0.863 30.017 29.700 -0.910 0.000 1.207 98 E HN 0.112 nan 8.360 nan 0.000 0.426 99 P HA -0.153 nan 4.420 nan 0.000 0.222 99 P C 0.514 177.827 177.300 0.022 0.000 1.142 99 P CA 0.988 64.124 63.100 0.061 0.000 0.788 99 P CB 0.318 32.118 31.700 0.167 0.000 0.767 100 L N -0.777 120.431 121.223 -0.025 0.000 2.700 100 L HA 0.110 4.449 4.340 -0.002 0.000 0.234 100 L C 1.990 178.882 176.870 0.037 0.000 1.156 100 L CA -0.013 54.819 54.840 -0.013 0.000 0.946 100 L CB -0.573 41.431 42.059 -0.092 0.000 1.216 100 L HN -0.095 nan 8.230 nan 0.000 0.493 101 D N 1.220 121.622 120.400 0.004 0.000 2.106 101 D HA -0.214 4.425 4.640 -0.002 0.000 0.191 101 D C 2.082 178.397 176.300 0.024 0.000 0.997 101 D CA 1.770 55.766 54.000 -0.008 0.000 0.834 101 D CB 0.176 40.959 40.800 -0.028 0.000 0.956 101 D HN 0.268 nan 8.370 nan 0.000 0.448 102 L N -0.505 120.752 121.223 0.057 0.000 2.240 102 L HA -0.084 4.255 4.340 -0.002 0.000 0.211 102 L C 2.566 179.521 176.870 0.141 0.000 1.106 102 L CA 0.646 55.535 54.840 0.083 0.000 0.793 102 L CB -0.613 41.512 42.059 0.111 0.000 0.927 102 L HN 0.297 nan 8.230 nan 0.000 0.446 103 H N 1.165 120.259 119.070 0.039 0.000 2.321 103 H HA -0.151 4.404 4.556 -0.002 0.000 0.300 103 H C 2.110 177.497 175.328 0.098 0.000 1.087 103 H CA 1.831 57.906 56.048 0.045 0.000 1.319 103 H CB 0.151 29.878 29.762 -0.058 0.000 1.379 103 H HN 0.287 nan 8.280 nan 0.000 0.501 104 L N -0.700 120.653 121.223 0.217 0.000 2.209 104 L HA 0.072 4.411 4.340 -0.002 0.000 0.207 104 L C 2.896 179.795 176.870 0.049 0.000 1.094 104 L CA 0.765 55.685 54.840 0.133 0.000 0.790 104 L CB -0.221 41.908 42.059 0.116 0.000 0.932 104 L HN 0.291 nan 8.230 nan 0.000 0.447 105 G N -1.229 107.583 108.800 0.020 0.000 2.539 105 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.215 105 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.215 105 G C 1.467 176.329 174.900 -0.064 0.000 1.141 105 G CA 0.233 45.307 45.100 -0.043 0.000 0.806 105 G HN 0.040 nan 8.290 nan 0.000 0.533 106 M N -1.628 117.961 119.600 -0.019 0.000 2.583 106 M HA 0.376 4.855 4.480 -0.002 0.000 0.217 106 M C 1.876 178.193 176.300 0.028 0.000 1.655 106 M CA -0.278 54.985 55.300 -0.061 0.000 1.114 106 M CB -0.865 31.672 32.600 -0.105 0.000 1.384 106 M HN 0.151 nan 8.290 nan 0.000 0.562 107 F N 2.450 122.378 119.950 -0.037 0.000 2.011 107 F HA -0.232 4.293 4.527 -0.002 0.000 0.296 107 F C 2.177 177.951 175.800 -0.044 0.000 1.144 107 F CA 2.126 60.101 58.000 -0.041 0.000 1.185 107 F CB -0.562 38.349 39.000 -0.149 0.000 0.961 107 F HN 0.002 nan 8.300 nan 0.000 0.485 108 L N -0.251 121.000 121.223 0.046 0.000 2.012 108 L HA -0.193 4.146 4.340 -0.002 0.000 0.210 108 L C -0.397 176.586 176.870 0.189 0.000 1.073 108 L CA 1.591 56.491 54.840 0.100 0.000 0.748 108 L CB -2.234 39.874 42.059 0.083 0.000 0.891 108 L HN 0.160 nan 8.230 nan 0.000 0.431 109 P HA -0.137 nan 4.420 nan 0.000 0.215 109 P C 1.649 178.925 177.300 -0.041 0.000 1.157 109 P CA 1.497 64.606 63.100 0.014 0.000 0.868 109 P CB -0.075 31.594 31.700 -0.051 0.000 0.788 110 T N -0.152 114.356 114.554 -0.077 0.000 2.720 110 T HA -0.114 4.235 4.350 -0.002 0.000 0.268 110 T C 1.646 176.290 174.700 -0.094 0.000 1.037 110 T CA 1.060 63.105 62.100 -0.093 0.000 1.144 110 T CB -0.989 67.827 68.868 -0.087 0.000 0.864 110 T HN 0.073 nan 8.240 nan 0.000 0.444 111 L N 0.157 121.316 121.223 -0.108 0.000 2.450 111 L HA 0.061 4.399 4.340 -0.002 0.000 0.224 111 L C 0.988 177.803 176.870 -0.092 0.000 1.149 111 L CA 0.552 55.346 54.840 -0.076 0.000 0.816 111 L CB -0.486 41.590 42.059 0.028 0.000 0.932 111 L HN 0.227 nan 8.230 nan 0.000 0.449 115 A N 0.346 123.103 122.820 -0.105 0.000 2.313 115 A HA 0.955 5.274 4.320 -0.002 0.000 0.323 115 A C 0.771 178.292 177.584 -0.104 0.000 1.133 115 A CA 0.142 52.125 52.037 -0.089 0.000 0.847 115 A CB 0.909 19.873 19.000 -0.061 0.000 1.308 115 A HN 1.070 nan 8.150 nan 0.000 0.475 116 T N -2.318 112.194 114.554 -0.070 0.000 2.810 116 T HA 0.552 4.901 4.350 -0.002 0.000 0.277 116 T C 1.302 175.964 174.700 -0.065 0.000 0.973 116 T CA 0.178 62.233 62.100 -0.074 0.000 0.949 116 T CB 0.850 69.690 68.868 -0.046 0.000 1.075 116 T HN 1.297 nan 8.240 nan 0.000 0.537 117 A N 0.496 123.275 122.820 -0.068 0.000 1.832 117 A HA -0.013 4.306 4.320 -0.002 0.000 0.214 117 A C 2.255 179.816 177.584 -0.039 0.000 1.200 117 A CA 1.989 53.985 52.037 -0.069 0.000 0.610 117 A CB -1.544 17.414 19.000 -0.070 0.000 0.842 117 A HN 1.090 nan 8.150 nan 0.000 0.444 118 E N 0.404 120.589 120.200 -0.025 0.000 2.113 118 E HA -0.333 4.016 4.350 -0.002 0.000 0.210 118 E C 1.937 178.547 176.600 0.017 0.000 1.040 118 E CA 2.665 59.061 56.400 -0.007 0.000 0.847 118 E CB -0.732 28.970 29.700 0.002 0.000 0.755 118 E HN 0.731 nan 8.360 nan 0.000 0.459 119 Q N -0.211 119.623 119.800 0.057 0.000 2.020 119 Q HA -0.237 4.102 4.340 -0.002 0.000 0.202 119 Q C 2.455 178.553 176.000 0.164 0.000 0.982 119 Q CA 1.830 57.728 55.803 0.158 0.000 0.838 119 Q CB -0.318 28.526 28.738 0.177 0.000 0.899 119 Q HN 0.560 nan 8.270 nan 0.000 0.423 120 Q N 0.841 120.685 119.800 0.074 0.000 2.112 120 Q HA -0.247 4.092 4.340 -0.002 0.000 0.206 120 Q C 1.861 177.917 176.000 0.093 0.000 0.987 120 Q CA 1.460 57.294 55.803 0.052 0.000 0.858 120 Q CB -0.015 28.663 28.738 -0.099 0.000 0.905 120 Q HN 0.255 nan 8.270 nan 0.000 0.420 121 E N -0.128 120.089 120.200 0.029 0.000 2.511 121 E HA -0.130 4.218 4.350 -0.002 0.000 0.196 121 E C 1.555 178.160 176.600 0.009 0.000 1.066 121 E CA 0.282 56.697 56.400 0.025 0.000 0.871 121 E CB 0.188 29.878 29.700 -0.016 0.000 0.863 121 E HN 0.306 nan 8.360 nan 0.000 0.520 122 R N -1.355 119.131 120.500 -0.024 0.000 2.279 122 R HA 0.091 4.430 4.340 -0.002 0.000 0.195 122 R C 0.995 177.079 176.300 -0.361 0.000 0.905 122 R CA 0.221 56.192 56.100 -0.216 0.000 1.044 122 R CB 0.286 30.391 30.300 -0.324 0.000 1.056 122 R HN 0.052 nan 8.270 nan 0.000 0.535 123 F N -1.663 118.346 119.950 0.098 0.000 2.747 123 F HA 0.181 4.707 4.527 -0.002 0.000 0.305 123 F C 1.332 177.216 175.800 0.140 0.000 1.065 123 F CA -0.519 57.538 58.000 0.095 0.000 1.230 123 F CB 0.018 39.062 39.000 0.074 0.000 1.027 123 F HN -0.105 nan 8.300 nan 0.000 0.607 124 F N 0.759 120.821 119.950 0.186 0.000 2.000 124 F HA -0.243 4.283 4.527 -0.002 0.000 0.295 124 F C 2.551 178.470 175.800 0.197 0.000 1.159 124 F CA 1.783 59.872 58.000 0.148 0.000 1.171 124 F CB -0.416 38.616 39.000 0.054 0.000 0.971 124 F HN -0.212 nan 8.300 nan 0.000 0.479 125 M N 0.299 120.081 119.600 0.303 0.000 2.103 125 M HA -0.222 4.257 4.480 -0.002 0.000 0.255 125 M C -0.444 175.954 176.300 0.163 0.000 1.074 125 M CA 2.374 57.797 55.300 0.205 0.000 1.090 125 M CB -2.438 30.255 32.600 0.156 0.000 1.325 125 M HN 0.057 nan 8.290 nan 0.000 0.403 126 P HA -0.058 nan 4.420 nan 0.000 0.216 126 P C 1.176 178.541 177.300 0.110 0.000 1.153 126 P CA 2.031 65.191 63.100 0.101 0.000 0.848 126 P CB -0.216 31.526 31.700 0.070 0.000 0.787 127 A N -1.802 121.097 122.820 0.131 0.000 1.930 127 A HA -0.159 4.159 4.320 -0.002 0.000 0.217 127 A C 2.147 179.808 177.584 0.130 0.000 1.175 127 A CA 1.025 53.164 52.037 0.171 0.000 0.627 127 A CB -1.875 17.278 19.000 0.256 0.000 0.815 127 A HN 0.215 nan 8.150 nan 0.000 0.443 128 W N 1.140 122.307 121.300 -0.221 0.000 2.363 128 W HA -0.116 4.543 4.660 -0.002 0.000 0.296 128 W C 1.570 178.046 176.519 -0.072 0.000 1.212 128 W CA 1.869 59.063 57.345 -0.251 0.000 1.260 128 W CB -0.261 28.942 29.460 -0.428 0.000 1.131 128 W HN 0.446 nan 8.180 nan 0.000 0.530 129 N N -0.091 118.673 118.700 0.107 0.000 2.461 129 N HA 0.036 4.775 4.740 -0.002 0.000 0.188 129 N C 0.399 175.864 175.510 -0.075 0.000 1.134 129 N CA 0.619 53.672 53.050 0.005 0.000 0.878 129 N CB 0.005 38.563 38.487 0.118 0.000 0.972 129 N HN 0.015 nan 8.380 nan 0.000 0.456 130 L N -0.274 120.911 121.223 -0.062 0.000 4.759 130 L HA -0.295 4.044 4.340 -0.002 0.000 0.419 130 L C 0.821 177.668 176.870 -0.039 0.000 1.093 130 L CA 0.465 55.249 54.840 -0.093 0.000 1.037 130 L CB -1.393 40.554 42.059 -0.186 0.000 2.095 130 L HN 0.363 nan 8.230 nan 0.000 0.739 131 E N 0.121 120.326 120.200 0.009 0.000 2.268 131 E HA 0.058 4.407 4.350 -0.002 0.000 0.195 131 E C 0.756 177.382 176.600 0.044 0.000 0.995 131 E CA 0.819 57.234 56.400 0.024 0.000 0.836 131 E CB 0.333 30.059 29.700 0.043 0.000 0.763 131 E HN 0.557 nan 8.360 nan 0.000 0.491 132 I N 0.732 121.332 120.570 0.050 0.000 2.689 132 I HA 0.154 4.323 4.170 -0.002 0.000 0.299 132 I C -0.529 175.622 176.117 0.055 0.000 1.059 132 I CA -0.804 60.527 61.300 0.052 0.000 1.055 132 I CB 2.433 40.404 38.000 -0.048 0.000 1.243 132 I HN -0.149 nan 8.210 nan 0.000 0.425 133 T N 1.226 115.805 114.554 0.041 0.000 2.812 133 T HA 0.781 5.130 4.350 -0.002 0.000 0.282 133 T C -0.266 174.360 174.700 -0.124 0.000 0.990 133 T CA -0.747 61.362 62.100 0.016 0.000 0.960 133 T CB 1.776 70.634 68.868 -0.017 0.000 0.948 133 T HN 0.786 nan 8.240 nan 0.000 0.438 134 G N 0.375 108.994 108.800 -0.301 0.000 2.630 134 G HA2 0.778 4.737 3.960 -0.002 0.000 0.296 134 G HA3 0.778 4.737 3.960 -0.002 0.000 0.296 134 G C -1.095 173.550 174.900 -0.424 0.000 1.285 134 G CA -0.811 43.681 45.100 -1.013 0.000 0.958 134 G HN 0.916 nan 8.290 nan 0.000 0.479 135 T N -2.008 112.431 114.554 -0.191 0.000 2.731 135 T HA 0.584 4.933 4.350 -0.002 0.000 0.300 135 T C -2.193 172.684 174.700 0.294 0.000 1.283 135 T CA -0.493 61.669 62.100 0.102 0.000 1.005 135 T CB 1.510 70.407 68.868 0.048 0.000 1.420 135 T HN 0.538 nan 8.240 nan 0.000 0.503 136 Y N 1.201 121.576 120.300 0.125 0.000 2.326 136 Y HA 0.690 5.239 4.550 -0.002 0.000 0.331 136 Y C -0.480 175.469 175.900 0.081 0.000 0.962 136 Y CA -0.707 57.462 58.100 0.116 0.000 1.167 136 Y CB 1.370 39.880 38.460 0.083 0.000 1.148 136 Y HN 0.795 nan 8.280 nan 0.000 0.463 137 A N 6.311 129.011 122.820 -0.200 0.000 2.322 137 A HA 0.356 4.675 4.320 -0.002 0.000 0.327 137 A C 0.147 177.652 177.584 -0.133 0.000 1.394 137 A CA -0.413 51.575 52.037 -0.083 0.000 0.921 137 A CB 0.875 19.843 19.000 -0.054 0.000 1.153 137 A HN 0.991 nan 8.150 nan 0.000 0.523 138 Q N 1.953 121.776 119.800 0.037 0.000 2.530 138 Q HA 0.089 4.428 4.340 -0.002 0.000 0.198 138 Q C 0.249 176.331 176.000 0.136 0.000 0.956 138 Q CA 0.550 56.406 55.803 0.088 0.000 0.870 138 Q CB 0.396 29.273 28.738 0.232 0.000 1.050 138 Q HN 0.642 nan 8.270 nan 0.000 0.604 139 T N 2.087 116.757 114.554 0.194 0.000 2.946 139 T HA 0.030 4.379 4.350 -0.002 0.000 0.312 139 T C -0.497 174.369 174.700 0.277 0.000 1.066 139 T CA 0.624 62.873 62.100 0.248 0.000 1.138 139 T CB 0.610 69.670 68.868 0.319 0.000 1.014 139 T HN 0.222 nan 8.240 nan 0.000 0.544 140 E N 1.283 121.651 120.200 0.279 0.000 2.299 140 E HA 0.302 4.651 4.350 -0.002 0.000 0.265 140 E C 1.049 177.797 176.600 0.246 0.000 0.911 140 E CA -0.804 55.756 56.400 0.267 0.000 0.789 140 E CB 1.650 31.479 29.700 0.214 0.000 1.246 140 E HN 0.581 nan 8.360 nan 0.000 0.427 141 M N 1.053 120.741 119.600 0.148 0.000 2.144 141 M HA -0.118 4.360 4.480 -0.002 0.000 0.260 141 M C 1.342 177.589 176.300 -0.089 0.000 1.067 141 M CA 2.374 57.594 55.300 -0.133 0.000 1.095 141 M CB -0.169 32.191 32.600 -0.401 0.000 1.365 141 M HN 0.691 nan 8.290 nan 0.000 0.406 142 G N -1.823 106.973 108.800 -0.007 0.000 2.880 142 G HA2 0.022 3.980 3.960 -0.002 0.000 0.209 142 G HA3 0.022 3.980 3.960 -0.002 0.000 0.209 142 G C -0.676 174.023 174.900 -0.334 0.000 1.157 142 G CA 0.000 45.031 45.100 -0.115 0.000 0.779 142 G HN 0.562 nan 8.290 nan 0.000 0.539 143 H N -2.522 116.596 119.070 0.080 0.000 2.966 143 H HA 0.502 5.057 4.556 -0.002 0.000 0.347 143 H C 0.660 176.063 175.328 0.124 0.000 1.048 143 H CA -0.034 56.075 56.048 0.102 0.000 1.295 143 H CB 1.946 31.768 29.762 0.100 0.000 1.744 143 H HN 0.026 nan 8.280 nan 0.000 0.513 144 G N 0.836 109.759 108.800 0.205 0.000 2.798 144 G HA2 -0.060 3.899 3.960 -0.002 0.000 0.202 144 G HA3 -0.060 3.899 3.960 -0.002 0.000 0.202 144 G C 1.067 176.055 174.900 0.146 0.000 1.149 144 G CA 0.354 45.553 45.100 0.166 0.000 0.713 144 G HN 0.534 nan 8.290 nan 0.000 0.749 145 T N 0.170 114.809 114.554 0.142 0.000 2.809 145 T HA 0.024 4.373 4.350 -0.002 0.000 0.260 145 T C 0.889 175.710 174.700 0.201 0.000 1.039 145 T CA 0.458 62.644 62.100 0.142 0.000 1.141 145 T CB -0.298 68.643 68.868 0.122 0.000 0.869 145 T HN 0.238 nan 8.240 nan 0.000 0.437 146 H N 2.018 121.168 119.070 0.135 0.000 3.014 146 H HA 0.245 4.800 4.556 -0.002 0.000 0.266 146 H C 0.908 176.306 175.328 0.117 0.000 1.455 146 H CA -0.418 55.712 56.048 0.137 0.000 1.402 146 H CB -0.069 29.804 29.762 0.185 0.000 1.626 146 H HN 0.237 nan 8.280 nan 0.000 0.520 147 L N 3.086 124.263 121.223 -0.076 0.000 2.131 147 L HA -0.169 4.170 4.340 -0.002 0.000 0.210 147 L C 2.767 179.500 176.870 -0.228 0.000 1.092 147 L CA 0.847 55.628 54.840 -0.099 0.000 0.759 147 L CB -0.321 41.706 42.059 -0.055 0.000 0.903 147 L HN 0.516 nan 8.230 nan 0.000 0.435 148 R N 0.861 121.102 120.500 -0.432 0.000 2.127 148 R HA -0.145 4.194 4.340 -0.002 0.000 0.238 148 R C 1.975 178.092 176.300 -0.305 0.000 1.134 148 R CA 1.425 57.298 56.100 -0.378 0.000 0.975 148 R CB -0.306 29.703 30.300 -0.486 0.000 0.865 148 R HN 0.390 nan 8.270 nan 0.000 0.447 149 G N 0.703 109.284 108.800 -0.365 0.000 2.920 149 G HA2 0.061 4.020 3.960 -0.002 0.000 0.208 149 G HA3 0.061 4.020 3.960 -0.002 0.000 0.208 149 G C 0.529 174.946 174.900 -0.805 0.000 1.159 149 G CA -0.386 44.411 45.100 -0.506 0.000 0.784 149 G HN 0.127 nan 8.290 nan 0.000 0.535 150 L N 0.680 121.640 121.223 -0.438 0.000 2.559 150 L HA 0.040 4.379 4.340 -0.002 0.000 0.282 150 L C 1.246 178.027 176.870 -0.147 0.000 1.232 150 L CA 0.203 54.908 54.840 -0.225 0.000 0.885 150 L CB 0.688 42.702 42.059 -0.075 0.000 1.131 150 L HN 0.303 nan 8.230 nan 0.000 0.498 151 E N 0.483 120.648 120.200 -0.058 0.000 2.415 151 E HA 0.032 4.381 4.350 -0.002 0.000 0.197 151 E C 0.112 176.718 176.600 0.010 0.000 1.007 151 E CA -0.034 56.358 56.400 -0.013 0.000 0.890 151 E CB 0.310 30.027 29.700 0.028 0.000 0.891 151 E HN 0.644 nan 8.360 nan 0.000 0.496 152 T N 2.491 117.057 114.554 0.020 0.000 2.908 152 T HA 0.065 4.414 4.350 -0.002 0.000 0.301 152 T C 0.291 174.998 174.700 0.012 0.000 1.019 152 T CA 0.342 62.454 62.100 0.021 0.000 1.152 152 T CB 0.625 69.508 68.868 0.025 0.000 0.966 152 T HN 0.170 nan 8.240 nan 0.000 0.540 153 T N -0.543 114.013 114.554 0.002 0.000 2.912 153 T HA 0.747 5.095 4.350 -0.002 0.000 0.288 153 T C -0.644 174.023 174.700 -0.055 0.000 1.030 153 T CA -1.161 60.939 62.100 -0.000 0.000 1.020 153 T CB 1.953 70.832 68.868 0.018 0.000 1.056 153 T HN 0.618 nan 8.240 nan 0.000 0.480 154 A N 2.097 124.871 122.820 -0.076 0.000 2.545 154 A HA 0.630 4.949 4.320 -0.002 0.000 0.300 154 A C 0.022 177.661 177.584 0.090 0.000 1.252 154 A CA -0.790 51.122 52.037 -0.209 0.000 0.753 154 A CB 0.406 18.871 19.000 -0.892 0.000 1.144 154 A HN 0.831 nan 8.150 nan 0.000 0.457 155 T N 2.332 116.965 114.554 0.132 0.000 2.749 155 T HA 0.356 4.705 4.350 -0.002 0.000 0.287 155 T C -0.461 174.354 174.700 0.193 0.000 0.970 155 T CA 0.015 62.221 62.100 0.177 0.000 0.980 155 T CB 0.327 69.246 68.868 0.085 0.000 0.924 155 T HN 0.456 nan 8.240 nan 0.000 0.456 156 Y N 3.128 123.466 120.300 0.064 0.000 2.425 156 Y HA 0.262 4.810 4.550 -0.002 0.000 0.331 156 Y C 0.280 176.093 175.900 -0.145 0.000 1.157 156 Y CA -0.592 57.381 58.100 -0.212 0.000 1.372 156 Y CB 0.561 38.857 38.460 -0.273 0.000 1.253 156 Y HN 0.497 nan 8.280 nan 0.000 0.536 157 D N 8.435 128.305 120.400 -0.883 0.000 2.460 157 D HA 0.252 4.890 4.640 -0.002 0.000 0.232 157 D C -2.009 173.754 176.300 -0.895 0.000 1.079 157 D CA -2.521 51.112 54.000 -0.611 0.000 0.864 157 D CB 1.617 42.186 40.800 -0.385 0.000 1.048 157 D HN 0.343 nan 8.370 nan 0.000 0.523 158 P HA -0.133 nan 4.420 nan 0.000 0.222 158 P C 0.879 178.072 177.300 -0.179 0.000 1.147 158 P CA 0.719 63.672 63.100 -0.246 0.000 0.790 158 P CB 0.598 32.308 31.700 0.017 0.000 0.780 159 K N -0.113 120.177 120.400 -0.183 0.000 2.103 159 K HA -0.024 4.295 4.320 -0.002 0.000 0.204 159 K C 1.876 178.399 176.600 -0.128 0.000 1.052 159 K CA 1.980 58.195 56.287 -0.120 0.000 0.945 159 K CB -0.549 31.892 32.500 -0.098 0.000 0.722 159 K HN 0.303 nan 8.250 nan 0.000 0.443 160 T N -2.424 112.015 114.554 -0.191 0.000 3.044 160 T HA 0.092 4.441 4.350 -0.002 0.000 0.260 160 T C 0.089 174.680 174.700 -0.182 0.000 1.019 160 T CA -0.379 61.628 62.100 -0.156 0.000 0.921 160 T CB 0.213 68.994 68.868 -0.144 0.000 1.053 160 T HN 0.140 nan 8.240 nan 0.000 0.533 161 Q N 1.015 120.637 119.800 -0.296 0.000 2.452 161 Q HA -0.160 4.179 4.340 -0.002 0.000 0.318 161 Q C -0.782 175.089 176.000 -0.214 0.000 1.386 161 Q CA 0.744 56.402 55.803 -0.242 0.000 0.872 161 Q CB -1.488 27.252 28.738 0.004 0.000 1.151 161 Q HN 0.755 nan 8.270 nan 0.000 0.417 162 E N -0.618 119.313 120.200 -0.449 0.000 2.416 162 E HA 0.623 4.972 4.350 -0.002 0.000 0.273 162 E C -0.933 175.463 176.600 -0.341 0.000 0.935 162 E CA -0.859 55.405 56.400 -0.227 0.000 0.784 162 E CB 1.333 30.945 29.700 -0.147 0.000 1.301 162 E HN 0.067 nan 8.360 nan 0.000 0.454 163 F N 1.152 121.126 119.950 0.040 0.000 2.443 163 F HA 0.442 4.968 4.527 -0.002 0.000 0.335 163 F C 0.092 175.852 175.800 -0.066 0.000 1.104 163 F CA -0.680 57.334 58.000 0.023 0.000 1.013 163 F CB 1.013 40.012 39.000 -0.002 0.000 1.136 163 F HN 0.173 nan 8.300 nan 0.000 0.470 164 I N 5.156 125.786 120.570 0.101 0.000 2.330 164 I HA 0.183 4.351 4.170 -0.002 0.000 0.286 164 I C -0.839 175.294 176.117 0.027 0.000 1.025 164 I CA -0.475 60.847 61.300 0.036 0.000 1.197 164 I CB 0.625 38.628 38.000 0.004 0.000 1.358 164 I HN 0.229 nan 8.210 nan 0.000 0.467 165 L N 5.553 126.800 121.223 0.039 0.000 2.290 165 L HA 0.361 4.700 4.340 -0.002 0.000 0.284 165 L C -0.249 176.647 176.870 0.043 0.000 1.078 165 L CA 0.244 55.086 54.840 0.004 0.000 0.815 165 L CB 0.844 42.924 42.059 0.035 0.000 1.162 165 L HN 0.637 nan 8.230 nan 0.000 0.435 166 N N 0.808 119.517 118.700 0.016 0.000 2.264 166 N HA 0.324 5.063 4.740 -0.002 0.000 0.288 166 N C -1.314 174.210 175.510 0.024 0.000 1.094 166 N CA -0.335 52.732 53.050 0.028 0.000 0.817 166 N CB 1.902 40.406 38.487 0.027 0.000 1.604 166 N HN 0.350 nan 8.380 nan 0.000 0.473 167 S N 3.387 119.105 115.700 0.030 0.000 2.475 167 S HA 0.282 4.751 4.470 -0.002 0.000 0.249 167 S C -1.729 172.889 174.600 0.031 0.000 1.298 167 S CA -0.918 57.302 58.200 0.035 0.000 1.125 167 S CB 1.333 64.559 63.200 0.044 0.000 1.054 167 S HN 0.585 nan 8.310 nan 0.000 0.484 168 P HA -0.068 nan 4.420 nan 0.000 0.220 168 P C 0.592 177.904 177.300 0.020 0.000 1.148 168 P CA 1.104 64.217 63.100 0.022 0.000 0.803 168 P CB -0.031 31.681 31.700 0.020 0.000 0.782 169 T N -5.213 109.355 114.554 0.023 0.000 2.864 169 T HA 0.317 4.666 4.350 -0.002 0.000 0.289 169 T C 0.771 175.478 174.700 0.011 0.000 1.082 169 T CA -0.611 61.498 62.100 0.016 0.000 1.009 169 T CB 1.698 70.578 68.868 0.020 0.000 1.234 169 T HN -0.209 nan 8.240 nan 0.000 0.526 170 V N 1.222 121.130 119.914 -0.010 0.000 2.515 170 V HA -0.082 4.037 4.120 -0.002 0.000 0.250 170 V C 2.577 178.647 176.094 -0.041 0.000 1.058 170 V CA 2.873 65.154 62.300 -0.032 0.000 1.064 170 V CB -1.273 30.511 31.823 -0.065 0.000 0.675 170 V HN 1.161 nan 8.190 nan 0.000 0.461 171 T N -1.525 113.012 114.554 -0.028 0.000 2.995 171 T HA -0.125 4.223 4.350 -0.002 0.000 0.269 171 T C 1.891 176.625 174.700 0.056 0.000 1.091 171 T CA 1.436 63.525 62.100 -0.018 0.000 1.128 171 T CB -0.617 68.254 68.868 0.005 0.000 0.891 171 T HN 0.715 nan 8.240 nan 0.000 0.492 172 S N 1.168 116.908 115.700 0.067 0.000 2.481 172 S HA 0.157 4.626 4.470 -0.002 0.000 0.231 172 S C 0.869 175.532 174.600 0.106 0.000 0.996 172 S CA -0.407 57.846 58.200 0.088 0.000 0.942 172 S CB -1.003 62.234 63.200 0.061 0.000 0.768 172 S HN 0.598 nan 8.310 nan 0.000 0.520 173 I N 2.917 123.556 120.570 0.114 0.000 2.752 173 I HA 0.019 4.188 4.170 -0.002 0.000 0.289 173 I C 0.466 176.736 176.117 0.256 0.000 1.197 173 I CA -0.128 61.280 61.300 0.180 0.000 1.432 173 I CB 0.324 38.457 38.000 0.222 0.000 1.359 173 I HN 0.055 nan 8.210 nan 0.000 0.571 174 K N 6.183 126.716 120.400 0.221 0.000 2.436 174 K HA 0.102 4.421 4.320 -0.002 0.000 0.275 174 K C -0.648 176.165 176.600 0.354 0.000 0.999 174 K CA 0.239 56.662 56.287 0.227 0.000 0.980 174 K CB 0.835 33.407 32.500 0.119 0.000 0.919 174 K HN 0.596 nan 8.250 nan 0.000 0.484 175 W N 3.134 124.498 121.300 0.107 0.000 3.211 175 W HA 0.116 4.775 4.660 -0.002 0.000 0.335 175 W C -0.695 175.928 176.519 0.172 0.000 1.113 175 W CA -0.573 56.800 57.345 0.048 0.000 1.235 175 W CB 0.795 30.250 29.460 -0.009 0.000 1.365 175 W HN 0.843 nan 8.180 nan 0.000 0.476 176 W N 0.874 122.146 121.300 -0.048 0.000 0.478 176 W HA -0.194 4.465 4.660 -0.002 0.000 0.218 176 W C -1.955 174.557 176.519 -0.013 0.000 0.927 176 W CA 0.109 57.456 57.345 0.005 0.000 0.334 176 W CB -2.096 27.451 29.460 0.146 0.000 1.922 176 W HN 0.192 nan 8.180 nan 0.000 1.053 177 P HA 0.159 nan 4.420 nan 0.000 0.255 177 P C 0.624 177.977 177.300 0.088 0.000 1.161 177 P CA 1.762 64.945 63.100 0.138 0.000 0.768 177 P CB 0.034 31.788 31.700 0.089 0.000 0.746 178 G N 3.009 111.878 108.800 0.116 0.000 2.398 178 G HA2 0.350 4.309 3.960 -0.002 0.000 0.246 178 G HA3 0.350 4.309 3.960 -0.002 0.000 0.246 178 G C 1.117 176.056 174.900 0.064 0.000 1.289 178 G CA 0.191 45.354 45.100 0.105 0.000 0.869 178 G HN 0.844 nan 8.290 nan 0.000 0.543 179 G N 1.146 109.974 108.800 0.047 0.000 2.179 179 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.260 179 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.260 179 G C 1.177 176.070 174.900 -0.011 0.000 0.977 179 G CA 0.568 45.693 45.100 0.042 0.000 0.641 179 G HN 0.785 nan 8.290 nan 0.000 0.533 180 L N 0.551 121.742 121.223 -0.054 0.000 2.209 180 L HA 0.200 4.539 4.340 -0.002 0.000 0.207 180 L C 2.823 179.568 176.870 -0.207 0.000 1.094 180 L CA 2.041 56.812 54.840 -0.115 0.000 0.790 180 L CB -0.796 41.194 42.059 -0.115 0.000 0.932 180 L HN 0.339 nan 8.230 nan 0.000 0.447 181 G N 0.189 108.840 108.800 -0.249 0.000 2.545 181 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.217 181 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.217 181 G C 1.494 176.224 174.900 -0.283 0.000 1.218 181 G CA 0.822 45.711 45.100 -0.351 0.000 0.787 181 G HN 0.236 nan 8.290 nan 0.000 0.571 182 K N -1.062 119.233 120.400 -0.175 0.000 2.538 182 K HA 0.138 4.457 4.320 -0.002 0.000 0.215 182 K C 2.279 179.014 176.600 0.225 0.000 1.345 182 K CA 0.470 56.745 56.287 -0.021 0.000 0.985 182 K CB 0.270 32.744 32.500 -0.042 0.000 1.116 182 K HN 0.232 nan 8.250 nan 0.000 0.582 183 T N 1.879 116.550 114.554 0.195 0.000 2.770 183 T HA -0.039 4.310 4.350 -0.002 0.000 0.258 183 T C 1.160 175.983 174.700 0.204 0.000 1.039 183 T CA 0.951 63.186 62.100 0.224 0.000 1.143 183 T CB -0.034 68.936 68.868 0.169 0.000 0.866 183 T HN 0.276 nan 8.240 nan 0.000 0.428 184 S N 2.583 118.339 115.700 0.093 0.000 2.585 184 S HA 0.312 4.781 4.470 -0.002 0.000 0.277 184 S C 0.526 175.139 174.600 0.021 0.000 1.241 184 S CA -0.879 57.355 58.200 0.056 0.000 1.041 184 S CB 0.970 64.143 63.200 -0.045 0.000 0.987 184 S HN 0.474 nan 8.310 nan 0.000 0.512 185 N N -0.265 118.492 118.700 0.096 0.000 2.236 185 N HA 0.170 4.909 4.740 -0.002 0.000 0.196 185 N C -0.699 174.788 175.510 -0.039 0.000 1.114 185 N CA -0.028 53.038 53.050 0.026 0.000 0.859 185 N CB -0.168 38.430 38.487 0.185 0.000 0.982 185 N HN 0.700 nan 8.380 nan 0.000 0.493 186 H N -0.396 118.627 119.070 -0.078 0.000 2.851 186 H HA 0.811 5.366 4.556 -0.002 0.000 0.372 186 H C -1.199 174.072 175.328 -0.095 0.000 1.158 186 H CA -0.908 55.111 56.048 -0.048 0.000 1.159 186 H CB 2.182 31.958 29.762 0.023 0.000 1.757 186 H HN 0.226 nan 8.280 nan 0.000 0.546 187 A N 2.700 125.594 122.820 0.124 0.000 2.427 187 A HA 0.516 4.835 4.320 -0.002 0.000 0.298 187 A C -1.038 176.645 177.584 0.164 0.000 1.036 187 A CA -0.616 51.492 52.037 0.119 0.000 0.701 187 A CB 0.871 19.867 19.000 -0.006 0.000 1.250 187 A HN 0.661 nan 8.150 nan 0.000 0.412 188 I N 2.808 123.494 120.570 0.193 0.000 2.322 188 I HA 0.263 4.432 4.170 -0.002 0.000 0.292 188 I C -0.501 175.490 176.117 -0.210 0.000 1.060 188 I CA -0.376 60.937 61.300 0.021 0.000 1.309 188 I CB 1.241 39.279 38.000 0.064 0.000 1.415 188 I HN 0.325 nan 8.210 nan 0.000 0.492 189 V N 7.609 127.464 119.914 -0.098 0.000 2.427 189 V HA 0.252 4.371 4.120 -0.002 0.000 0.286 189 V C -0.041 176.027 176.094 -0.043 0.000 1.034 189 V CA -0.722 61.515 62.300 -0.105 0.000 0.893 189 V CB 1.817 33.638 31.823 -0.003 0.000 0.982 189 V HN 0.403 nan 8.190 nan 0.000 0.452 190 L N 5.315 126.463 121.223 -0.125 0.000 2.281 190 L HA 0.764 5.103 4.340 -0.002 0.000 0.285 190 L C 0.218 177.138 176.870 0.083 0.000 1.074 190 L CA 0.548 55.381 54.840 -0.011 0.000 0.817 190 L CB 0.531 42.567 42.059 -0.037 0.000 1.168 190 L HN 0.847 nan 8.230 nan 0.000 0.434 191 A N 4.201 127.143 122.820 0.203 0.000 2.566 191 A HA 0.657 4.976 4.320 -0.002 0.000 0.292 191 A C -1.255 176.453 177.584 0.206 0.000 1.112 191 A CA -0.759 51.372 52.037 0.157 0.000 0.707 191 A CB 1.329 20.369 19.000 0.067 0.000 1.302 191 A HN 0.523 nan 8.150 nan 0.000 0.409 192 Q N 1.082 120.953 119.800 0.119 0.000 2.307 192 Q HA 0.220 4.558 4.340 -0.002 0.000 0.261 192 Q C -0.769 175.337 176.000 0.177 0.000 1.051 192 Q CA -0.351 55.529 55.803 0.128 0.000 0.911 192 Q CB 1.080 29.849 28.738 0.053 0.000 1.227 192 Q HN 0.565 nan 8.270 nan 0.000 0.418 193 L N 5.048 126.450 121.223 0.298 0.000 2.361 193 L HA 0.295 4.634 4.340 -0.002 0.000 0.278 193 L C -0.743 176.284 176.870 0.262 0.000 1.113 193 L CA 0.415 55.444 54.840 0.315 0.000 0.849 193 L CB 0.169 42.425 42.059 0.329 0.000 1.155 193 L HN 0.481 nan 8.230 nan 0.000 0.452 194 I N 4.938 125.662 120.570 0.257 0.000 2.418 194 I HA 0.439 4.607 4.170 -0.002 0.000 0.287 194 I C -0.177 176.112 176.117 0.286 0.000 1.008 194 I CA -0.337 61.097 61.300 0.223 0.000 1.104 194 I CB 1.921 40.000 38.000 0.132 0.000 1.264 194 I HN 0.622 nan 8.210 nan 0.000 0.438 195 T N 4.630 119.374 114.554 0.316 0.000 2.982 195 T HA 0.264 4.612 4.350 -0.002 0.000 0.321 195 T C -0.723 174.139 174.700 0.271 0.000 1.229 195 T CA -0.220 62.054 62.100 0.291 0.000 1.044 195 T CB 1.227 70.241 68.868 0.242 0.000 1.184 195 T HN 0.718 nan 8.240 nan 0.000 0.477 196 Q N 2.040 121.960 119.800 0.199 0.000 2.475 196 Q HA -0.230 4.108 4.340 -0.002 0.000 0.280 196 Q C 0.907 176.983 176.000 0.127 0.000 1.234 196 Q CA 1.079 56.975 55.803 0.155 0.000 0.873 196 Q CB -1.922 26.914 28.738 0.163 0.000 1.256 196 Q HN 1.660 nan 8.270 nan 0.000 0.475 197 G N -0.423 108.440 108.800 0.104 0.000 2.168 197 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.257 197 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.257 197 G C -0.142 174.772 174.900 0.023 0.000 0.997 197 G CA 0.791 45.926 45.100 0.058 0.000 0.708 197 G HN 0.441 nan 8.290 nan 0.000 0.520 198 E N -1.012 119.207 120.200 0.031 0.000 2.317 198 E HA 0.483 4.832 4.350 -0.002 0.000 0.270 198 E C -0.519 175.939 176.600 -0.238 0.000 0.885 198 E CA -0.664 55.644 56.400 -0.154 0.000 0.760 198 E CB 2.141 31.673 29.700 -0.280 0.000 1.227 198 E HN 0.295 nan 8.360 nan 0.000 0.434 199 C N 3.926 123.019 119.300 -0.346 0.000 2.330 199 C HA 0.462 4.921 4.460 -0.002 0.000 0.344 199 C C -0.058 174.631 174.990 -0.500 0.000 1.273 199 C CA -0.277 58.596 59.018 -0.240 0.000 1.879 199 C CB -0.807 26.861 27.740 -0.119 0.000 2.376 199 C HN 0.804 nan 8.230 nan 0.000 0.534 200 Y N 4.375 124.591 120.300 -0.140 0.000 2.660 200 Y HA 0.431 4.980 4.550 -0.002 0.000 0.254 200 Y C 1.344 177.220 175.900 -0.041 0.000 1.176 200 Y CA 0.645 58.597 58.100 -0.247 0.000 1.195 200 Y CB -0.110 37.841 38.460 -0.848 0.000 1.190 200 Y HN 1.227 nan 8.280 nan 0.000 0.535 201 G N 0.228 109.086 108.800 0.095 0.000 2.660 201 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.247 201 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.247 201 G C -1.121 173.849 174.900 0.116 0.000 1.328 201 G CA -1.190 43.947 45.100 0.061 0.000 0.884 201 G HN -0.049 nan 8.290 nan 0.000 0.531 202 L N 1.932 123.133 121.223 -0.038 0.000 2.455 202 L HA 0.420 4.759 4.340 -0.002 0.000 0.272 202 L C 0.878 177.582 176.870 -0.275 0.000 1.174 202 L CA 0.717 55.528 54.840 -0.048 0.000 0.869 202 L CB -0.026 41.994 42.059 -0.064 0.000 1.130 202 L HN 0.682 nan 8.230 nan 0.000 0.474 203 H N 1.093 120.203 119.070 0.066 0.000 2.980 203 H HA 0.600 5.155 4.556 -0.002 0.000 0.367 203 H C -0.735 174.450 175.328 -0.239 0.000 1.206 203 H CA -0.791 55.199 56.048 -0.097 0.000 1.126 203 H CB 2.310 31.976 29.762 -0.160 0.000 1.838 203 H HN 0.634 nan 8.280 nan 0.000 0.552 204 A N 1.963 124.590 122.820 -0.323 0.000 2.305 204 A HA 0.653 4.971 4.320 -0.002 0.000 0.322 204 A C -1.285 175.890 177.584 -0.683 0.000 1.187 204 A CA -0.347 51.504 52.037 -0.310 0.000 0.825 204 A CB 0.021 18.964 19.000 -0.095 0.000 1.164 204 A HN 0.410 nan 8.150 nan 0.000 0.498 205 F N 1.369 121.260 119.950 -0.098 0.000 2.547 205 F HA 0.417 4.942 4.527 -0.002 0.000 0.316 205 F C -0.013 175.733 175.800 -0.091 0.000 1.121 205 F CA -0.842 57.091 58.000 -0.112 0.000 0.911 205 F CB 2.251 41.172 39.000 -0.131 0.000 1.179 205 F HN 0.257 nan 8.300 nan 0.000 0.443 206 V N 4.348 124.284 119.914 0.036 0.000 2.405 206 V HA 0.245 4.364 4.120 -0.002 0.000 0.264 206 V C -0.240 175.886 176.094 0.053 0.000 1.048 206 V CA -0.403 61.847 62.300 -0.083 0.000 0.966 206 V CB 0.767 32.283 31.823 -0.512 0.000 1.015 206 V HN 0.509 nan 8.190 nan 0.000 0.477 207 V N 8.441 128.410 119.914 0.093 0.000 2.350 207 V HA 0.338 4.457 4.120 -0.002 0.000 0.285 207 V C -2.361 173.744 176.094 0.017 0.000 1.014 207 V CA -2.029 60.338 62.300 0.112 0.000 0.831 207 V CB 1.730 33.589 31.823 0.060 0.000 1.000 207 V HN 0.705 nan 8.190 nan 0.000 0.433 208 P HA 0.291 nan 4.420 nan 0.000 0.271 208 P C 0.677 177.858 177.300 -0.198 0.000 1.220 208 P CA 0.055 62.961 63.100 -0.324 0.000 0.768 208 P CB 0.652 32.296 31.700 -0.094 0.000 0.848 209 I N -0.183 120.210 120.570 -0.294 0.000 4.471 209 I HA 0.386 4.555 4.170 -0.002 0.000 0.326 209 I C 0.391 176.373 176.117 -0.225 0.000 1.300 209 I CA 0.021 61.153 61.300 -0.280 0.000 1.237 209 I CB 0.395 38.230 38.000 -0.275 0.000 1.195 209 I HN 0.069 nan 8.210 nan 0.000 0.427 210 R N 2.167 122.543 120.500 -0.207 0.000 2.750 210 R HA 0.406 4.744 4.340 -0.002 0.000 0.281 210 R C -0.630 175.630 176.300 -0.066 0.000 0.972 210 R CA -0.654 55.334 56.100 -0.187 0.000 0.912 210 R CB 2.420 32.479 30.300 -0.401 0.000 1.187 210 R HN 0.160 nan 8.270 nan 0.000 0.464 211 E N 3.185 123.375 120.200 -0.018 0.000 2.392 211 E HA 0.027 4.376 4.350 -0.002 0.000 0.264 211 E C -0.121 176.534 176.600 0.091 0.000 1.024 211 E CA -0.409 56.018 56.400 0.044 0.000 0.903 211 E CB 0.660 30.385 29.700 0.043 0.000 0.963 211 E HN 0.286 nan 8.360 nan 0.000 0.432 212 I N 3.628 124.264 120.570 0.109 0.000 2.634 212 I HA 0.042 4.211 4.170 -0.002 0.000 0.284 212 I C 1.671 177.844 176.117 0.094 0.000 1.124 212 I CA 1.414 62.789 61.300 0.124 0.000 1.417 212 I CB 0.190 38.262 38.000 0.121 0.000 1.396 212 I HN 1.017 nan 8.210 nan 0.000 0.571 213 G N 4.698 113.549 108.800 0.085 0.000 2.640 213 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.226 213 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.226 213 G C 0.933 175.869 174.900 0.061 0.000 1.222 213 G CA 0.824 45.958 45.100 0.057 0.000 0.729 213 G HN 0.690 nan 8.290 nan 0.000 0.516 214 T N -3.886 110.717 114.554 0.081 0.000 3.015 214 T HA 0.278 4.627 4.350 -0.002 0.000 0.250 214 T C 1.135 175.926 174.700 0.153 0.000 1.057 214 T CA 1.382 63.532 62.100 0.083 0.000 1.066 214 T CB -0.173 68.730 68.868 0.059 0.000 0.959 214 T HN 1.347 nan 8.240 nan 0.000 0.488 215 H N 0.630 119.707 119.070 0.012 0.000 3.047 215 H HA -0.144 4.411 4.556 -0.002 0.000 0.263 215 H C 0.178 175.503 175.328 -0.005 0.000 1.168 215 H CA 0.983 57.033 56.048 0.005 0.000 1.152 215 H CB -0.756 29.007 29.762 0.002 0.000 1.278 215 H HN 0.537 nan 8.280 nan 0.000 0.339 216 K N 1.816 122.231 120.400 0.024 0.000 2.350 216 K HA 0.203 4.522 4.320 -0.002 0.000 0.279 216 K C -2.595 173.965 176.600 -0.066 0.000 1.027 216 K CA -1.269 55.007 56.287 -0.018 0.000 0.969 216 K CB 0.763 33.270 32.500 0.011 0.000 0.954 216 K HN -0.037 nan 8.250 nan 0.000 0.474 217 P HA -0.056 nan 4.420 nan 0.000 0.263 217 P C -0.690 176.583 177.300 -0.045 0.000 1.195 217 P CA 0.271 63.311 63.100 -0.100 0.000 0.762 217 P CB 0.405 32.052 31.700 -0.089 0.000 0.799 218 L N 6.484 127.685 121.223 -0.037 0.000 2.473 218 L HA 0.189 4.528 4.340 -0.002 0.000 0.268 218 L C -1.768 175.161 176.870 0.099 0.000 1.215 218 L CA -1.888 52.987 54.840 0.059 0.000 0.823 218 L CB -0.327 41.820 42.059 0.148 0.000 1.099 218 L HN 0.224 nan 8.230 nan 0.000 0.483 219 P HA 0.012 nan 4.420 nan 0.000 0.261 219 P C 0.590 178.021 177.300 0.218 0.000 1.183 219 P CA 0.952 64.127 63.100 0.126 0.000 0.761 219 P CB 0.536 32.290 31.700 0.090 0.000 0.785 220 G N 2.776 111.662 108.800 0.143 0.000 2.175 220 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.244 220 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.244 220 G C -0.021 174.915 174.900 0.061 0.000 0.982 220 G CA -0.554 44.648 45.100 0.169 0.000 0.641 220 G HN 0.454 nan 8.290 nan 0.000 0.527 221 I N 1.746 122.298 120.570 -0.030 0.000 2.378 221 I HA 0.498 4.666 4.170 -0.002 0.000 0.291 221 I C -0.103 175.974 176.117 -0.068 0.000 0.992 221 I CA -0.279 60.930 61.300 -0.152 0.000 1.154 221 I CB 1.460 39.289 38.000 -0.284 0.000 1.315 221 I HN -0.027 nan 8.210 nan 0.000 0.448 222 T N 5.726 120.260 114.554 -0.032 0.000 2.815 222 T HA 0.588 4.937 4.350 -0.002 0.000 0.289 222 T C -0.508 174.228 174.700 0.060 0.000 1.000 222 T CA -0.473 61.655 62.100 0.047 0.000 0.958 222 T CB 1.971 70.901 68.868 0.102 0.000 0.944 222 T HN 0.402 nan 8.240 nan 0.000 0.442 223 V N 2.326 122.208 119.914 -0.054 0.000 3.049 223 V HA 1.021 5.140 4.120 -0.002 0.000 0.309 223 V C -0.508 175.195 176.094 -0.651 0.000 1.148 223 V CA 0.070 62.154 62.300 -0.361 0.000 0.990 223 V CB 2.035 33.670 31.823 -0.313 0.000 1.039 223 V HN 1.130 nan 8.190 nan 0.000 0.430 224 G N 3.012 111.020 108.800 -1.321 0.000 2.322 224 G HA2 0.366 4.325 3.960 -0.002 0.000 0.295 224 G HA3 0.366 4.325 3.960 -0.002 0.000 0.295 224 G C -1.899 172.405 174.900 -0.994 0.000 1.369 224 G CA -0.256 44.244 45.100 -0.999 0.000 0.821 224 G HN 0.951 nan 8.290 nan 0.000 0.536 225 D N -0.754 119.358 120.400 -0.480 0.000 2.341 225 D HA 0.362 5.000 4.640 -0.002 0.000 0.245 225 D C 1.927 178.071 176.300 -0.260 0.000 1.106 225 D CA -0.219 53.562 54.000 -0.364 0.000 0.905 225 D CB 0.878 41.520 40.800 -0.263 0.000 1.202 225 D HN 0.530 nan 8.370 nan 0.000 0.426 226 I N 0.157 120.491 120.570 -0.392 0.000 3.564 226 I HA 0.399 4.568 4.170 -0.002 0.000 0.294 226 I C 0.879 176.873 176.117 -0.205 0.000 1.289 226 I CA -0.010 60.997 61.300 -0.488 0.000 1.325 226 I CB -0.812 36.564 38.000 -1.041 0.000 1.039 226 I HN 0.479 nan 8.210 nan 0.000 0.474 227 G N 2.108 110.832 108.800 -0.128 0.000 2.603 227 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.686 227 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.686 227 G C -2.999 171.899 174.900 -0.003 0.000 1.286 227 G CA -0.594 44.486 45.100 -0.034 0.000 0.871 227 G HN 0.208 nan 8.290 nan 0.000 0.568 228 P HA 0.404 nan 4.420 nan 0.000 0.271 228 P C -0.382 176.999 177.300 0.136 0.000 1.218 228 P CA 0.285 63.441 63.100 0.094 0.000 0.780 228 P CB 1.081 32.841 31.700 0.100 0.000 0.901 229 K N 0.946 121.462 120.400 0.193 0.000 2.372 229 K HA 0.339 4.657 4.320 -0.002 0.000 0.251 229 K C 0.973 177.771 176.600 0.331 0.000 1.055 229 K CA -0.796 55.651 56.287 0.267 0.000 0.879 229 K CB 0.910 33.605 32.500 0.325 0.000 1.384 229 K HN 0.220 nan 8.250 nan 0.000 0.465 230 F N 0.446 120.487 119.950 0.151 0.000 2.154 230 F HA -0.194 4.332 4.527 -0.002 0.000 0.301 230 F C 0.855 176.742 175.800 0.143 0.000 1.087 230 F CA 1.464 59.542 58.000 0.130 0.000 1.274 230 F CB 0.334 39.390 39.000 0.092 0.000 1.009 230 F HN 0.659 nan 8.300 nan 0.000 0.485 231 G N -3.083 105.868 108.800 0.252 0.000 3.003 231 G HA2 0.260 4.219 3.960 -0.002 0.000 0.243 231 G HA3 0.260 4.219 3.960 -0.002 0.000 0.243 231 G C -1.003 174.083 174.900 0.309 0.000 1.176 231 G CA -0.309 44.886 45.100 0.159 0.000 0.812 231 G HN 0.113 nan 8.290 nan 0.000 0.584 232 Y N 0.247 120.558 120.300 0.018 0.000 3.305 232 Y HA -0.199 4.350 4.550 -0.002 0.000 0.212 232 Y C 1.773 177.717 175.900 0.074 0.000 1.248 232 Y CA 0.711 58.843 58.100 0.054 0.000 1.359 232 Y CB -1.662 36.868 38.460 0.116 0.000 1.407 232 Y HN 0.673 nan 8.280 nan 0.000 0.572 233 E N 0.747 121.027 120.200 0.134 0.000 2.085 233 E HA -0.203 4.146 4.350 -0.002 0.000 0.194 233 E C 1.915 178.596 176.600 0.135 0.000 0.994 233 E CA 1.667 58.145 56.400 0.131 0.000 0.801 233 E CB -0.064 29.707 29.700 0.118 0.000 0.743 233 E HN 0.647 nan 8.360 nan 0.000 0.453 234 E N -0.028 120.232 120.200 0.099 0.000 2.502 234 E HA -0.046 4.303 4.350 -0.002 0.000 0.194 234 E C 0.170 176.891 176.600 0.202 0.000 1.062 234 E CA 0.088 56.586 56.400 0.164 0.000 0.867 234 E CB -0.212 29.554 29.700 0.110 0.000 0.888 234 E HN 0.184 nan 8.360 nan 0.000 0.510 235 M N 3.557 123.241 119.600 0.140 0.000 2.180 235 M HA 0.113 4.591 4.480 -0.002 0.000 0.350 235 M C -0.967 175.381 176.300 0.080 0.000 1.125 235 M CA -0.879 54.513 55.300 0.154 0.000 1.031 235 M CB 1.364 34.104 32.600 0.233 0.000 1.623 235 M HN -0.112 nan 8.290 nan 0.000 0.451 236 D N 3.047 123.432 120.400 -0.025 0.000 2.845 236 D HA 0.072 4.711 4.640 -0.002 0.000 0.235 236 D C -0.912 175.302 176.300 -0.142 0.000 1.158 236 D CA -0.169 53.685 54.000 -0.243 0.000 0.990 236 D CB -1.058 39.431 40.800 -0.519 0.000 1.094 236 D HN 0.575 nan 8.370 nan 0.000 0.486 237 N N 0.218 118.888 118.700 -0.049 0.000 2.357 237 N HA 0.347 5.086 4.740 -0.002 0.000 0.257 237 N C 0.502 175.850 175.510 -0.270 0.000 1.250 237 N CA 0.626 53.647 53.050 -0.048 0.000 0.862 237 N CB 0.946 39.487 38.487 0.090 0.000 1.066 237 N HN 0.502 nan 8.380 nan 0.000 0.468 238 G N 0.310 108.929 108.800 -0.300 0.000 3.015 238 G HA2 0.600 4.559 3.960 -0.002 0.000 0.281 238 G HA3 0.600 4.559 3.960 -0.002 0.000 0.281 238 G C -1.677 172.917 174.900 -0.511 0.000 1.386 238 G CA -0.660 44.151 45.100 -0.482 0.000 0.959 238 G HN 0.545 nan 8.290 nan 0.000 0.522 239 Y N -1.627 118.373 120.300 -0.500 0.000 2.524 239 Y HA 0.849 5.398 4.550 -0.002 0.000 0.344 239 Y C -1.187 174.609 175.900 -0.173 0.000 1.012 239 Y CA -2.184 55.692 58.100 -0.373 0.000 1.068 239 Y CB 2.242 40.390 38.460 -0.520 0.000 1.249 239 Y HN 0.556 nan 8.280 nan 0.000 0.468 240 L N 3.098 124.410 121.223 0.149 0.000 2.528 240 L HA 0.526 4.865 4.340 -0.002 0.000 0.267 240 L C -1.475 175.462 176.870 0.111 0.000 0.961 240 L CA -0.810 54.064 54.840 0.056 0.000 0.866 240 L CB 1.891 43.921 42.059 -0.048 0.000 1.248 240 L HN 0.864 nan 8.230 nan 0.000 0.404 241 K N 5.672 126.136 120.400 0.108 0.000 2.323 241 K HA 0.711 5.030 4.320 -0.002 0.000 0.259 241 K C -1.421 175.183 176.600 0.007 0.000 0.947 241 K CA -0.584 55.747 56.287 0.074 0.000 0.819 241 K CB 1.294 33.848 32.500 0.091 0.000 1.109 241 K HN 0.771 nan 8.250 nan 0.000 0.429 242 M N 3.209 122.810 119.600 0.002 0.000 2.227 242 M HA 0.155 4.634 4.480 -0.002 0.000 0.335 242 M C -0.897 175.429 176.300 0.043 0.000 1.053 242 M CA -0.777 54.517 55.300 -0.010 0.000 0.973 242 M CB 1.684 34.272 32.600 -0.020 0.000 1.623 242 M HN 0.460 nan 8.290 nan 0.000 0.434 243 D N 4.323 124.764 120.400 0.069 0.000 2.500 243 D HA 0.136 4.775 4.640 -0.002 0.000 0.219 243 D C -0.334 176.024 176.300 0.097 0.000 1.137 243 D CA 0.197 54.240 54.000 0.071 0.000 0.946 243 D CB 0.099 40.937 40.800 0.062 0.000 1.022 243 D HN 0.531 nan 8.370 nan 0.000 0.518 244 N N 2.905 121.652 118.700 0.079 0.000 2.689 244 N HA -0.313 4.426 4.740 -0.002 0.000 0.263 244 N C -0.923 174.647 175.510 0.099 0.000 0.987 244 N CA 0.541 53.631 53.050 0.068 0.000 0.782 244 N CB -1.364 37.143 38.487 0.033 0.000 0.903 244 N HN 0.545 nan 8.380 nan 0.000 0.547 245 Y N 0.772 121.068 120.300 -0.008 0.000 2.365 245 Y HA 0.217 4.766 4.550 -0.002 0.000 0.340 245 Y C 0.874 176.776 175.900 0.003 0.000 1.016 245 Y CA -0.563 57.535 58.100 -0.004 0.000 1.196 245 Y CB 0.612 39.068 38.460 -0.006 0.000 1.167 245 Y HN 0.049 nan 8.280 nan 0.000 0.509 246 R N 7.209 127.502 120.500 -0.346 0.000 2.357 246 R HA 0.577 4.916 4.340 -0.002 0.000 0.296 246 R C -0.836 175.310 176.300 -0.256 0.000 1.052 246 R CA -0.538 55.424 56.100 -0.230 0.000 0.988 246 R CB 0.920 31.108 30.300 -0.186 0.000 1.025 246 R HN 0.803 nan 8.270 nan 0.000 0.469 247 I N -1.167 119.395 120.570 -0.014 0.000 2.994 247 I HA 0.608 4.777 4.170 -0.002 0.000 0.306 247 I C -2.812 173.411 176.117 0.177 0.000 1.195 247 I CA -3.426 57.933 61.300 0.100 0.000 1.001 247 I CB 2.678 40.811 38.000 0.222 0.000 1.244 247 I HN 0.295 nan 8.210 nan 0.000 0.437 248 P HA 0.157 nan 4.420 nan 0.000 0.270 248 P C 0.143 177.665 177.300 0.370 0.000 1.223 248 P CA -0.261 62.968 63.100 0.216 0.000 0.785 248 P CB 0.648 32.469 31.700 0.202 0.000 0.923 249 R N 1.685 122.379 120.500 0.323 0.000 2.096 249 R HA -0.187 4.152 4.340 -0.002 0.000 0.235 249 R C 0.926 177.528 176.300 0.504 0.000 1.127 249 R CA 1.686 58.071 56.100 0.474 0.000 0.968 249 R CB -0.268 30.212 30.300 0.301 0.000 0.861 249 R HN 0.421 nan 8.270 nan 0.000 0.440 250 E N 0.198 120.588 120.200 0.316 0.000 2.515 250 E HA -0.086 4.263 4.350 -0.002 0.000 0.201 250 E C 0.548 177.320 176.600 0.286 0.000 1.071 250 E CA 0.537 57.087 56.400 0.250 0.000 0.880 250 E CB -0.056 29.756 29.700 0.185 0.000 0.828 250 E HN 0.353 nan 8.360 nan 0.000 0.540 251 N N -0.340 118.569 118.700 0.347 0.000 2.299 251 N HA 0.083 4.821 4.740 -0.002 0.000 0.187 251 N C -0.021 175.594 175.510 0.176 0.000 1.099 251 N CA 0.064 53.293 53.050 0.298 0.000 0.867 251 N CB 0.204 38.891 38.487 0.332 0.000 0.974 251 N HN 0.206 nan 8.380 nan 0.000 0.477 252 M N 1.484 121.175 119.600 0.152 0.000 2.162 252 M HA 0.160 4.639 4.480 -0.002 0.000 0.356 252 M C -0.779 175.414 176.300 -0.180 0.000 1.303 252 M CA -0.349 54.824 55.300 -0.212 0.000 1.116 252 M CB 0.561 32.999 32.600 -0.271 0.000 1.632 252 M HN -0.099 nan 8.290 nan 0.000 0.469 253 L N 7.169 128.229 121.223 -0.272 0.000 2.530 253 L HA 0.073 4.412 4.340 -0.002 0.000 0.273 253 L C 0.352 177.150 176.870 -0.121 0.000 1.141 253 L CA 0.448 55.199 54.840 -0.147 0.000 0.905 253 L CB 0.112 42.094 42.059 -0.129 0.000 1.202 253 L HN 0.884 nan 8.230 nan 0.000 0.473 254 M N 3.129 122.679 119.600 -0.083 0.000 2.771 254 M HA 0.079 4.558 4.480 -0.002 0.000 0.341 254 M C 1.417 177.654 176.300 -0.104 0.000 1.226 254 M CA 0.011 55.264 55.300 -0.080 0.000 0.955 254 M CB 0.366 32.926 32.600 -0.067 0.000 1.318 254 M HN 0.515 nan 8.290 nan 0.000 0.514 255 K N 0.365 120.681 120.400 -0.139 0.000 2.025 255 K HA -0.120 4.199 4.320 -0.002 0.000 0.207 255 K C 1.095 177.484 176.600 -0.352 0.000 1.049 255 K CA 1.876 57.992 56.287 -0.285 0.000 0.933 255 K CB 0.239 32.487 32.500 -0.420 0.000 0.714 255 K HN 0.259 nan 8.250 nan 0.000 0.438 256 Y N -0.255 120.011 120.300 -0.057 0.000 2.230 256 Y HA 0.255 4.805 4.550 -0.002 0.000 0.294 256 Y C 0.859 176.723 175.900 -0.060 0.000 1.120 256 Y CA 0.520 58.593 58.100 -0.046 0.000 1.129 256 Y CB 0.146 38.590 38.460 -0.026 0.000 1.040 256 Y HN 0.045 nan 8.280 nan 0.000 0.519 257 A N -0.363 122.519 122.820 0.103 0.000 2.380 257 A HA 0.789 5.107 4.320 -0.002 0.000 0.315 257 A C -1.005 176.476 177.584 -0.171 0.000 1.101 257 A CA -0.544 51.454 52.037 -0.066 0.000 0.771 257 A CB 1.397 20.443 19.000 0.076 0.000 1.287 257 A HN 0.201 nan 8.150 nan 0.000 0.436 258 Q N -0.880 118.717 119.800 -0.338 0.000 2.544 258 Q HA 0.736 5.075 4.340 -0.002 0.000 0.291 258 Q C -1.370 174.435 176.000 -0.325 0.000 1.068 258 Q CA -0.710 54.939 55.803 -0.256 0.000 0.785 258 Q CB 2.292 30.918 28.738 -0.186 0.000 1.481 258 Q HN 0.488 nan 8.270 nan 0.000 0.430 259 V N 0.928 120.739 119.914 -0.172 0.000 2.569 259 V HA 0.395 4.514 4.120 -0.002 0.000 0.301 259 V C -0.660 175.303 176.094 -0.219 0.000 1.044 259 V CA -0.966 61.219 62.300 -0.191 0.000 0.874 259 V CB 1.710 33.490 31.823 -0.072 0.000 1.002 259 V HN 0.554 nan 8.190 nan 0.000 0.424 260 K N 4.598 124.864 120.400 -0.222 0.000 2.180 260 K HA 0.256 4.575 4.320 -0.002 0.000 0.251 260 K C -1.681 174.813 176.600 -0.178 0.000 1.014 260 K CA -1.385 54.808 56.287 -0.157 0.000 0.913 260 K CB 0.837 33.272 32.500 -0.109 0.000 1.008 260 K HN 0.275 nan 8.250 nan 0.000 0.490 261 P HA -0.213 nan 4.420 nan 0.000 0.216 261 P C 0.487 177.850 177.300 0.105 0.000 1.150 261 P CA 1.491 64.617 63.100 0.043 0.000 0.843 261 P CB 0.063 31.786 31.700 0.039 0.000 0.787 262 D N -1.800 118.622 120.400 0.036 0.000 2.363 262 D HA 0.027 4.666 4.640 -0.002 0.000 0.226 262 D C 1.383 177.733 176.300 0.083 0.000 1.020 262 D CA 0.840 54.882 54.000 0.069 0.000 0.892 262 D CB -0.994 39.823 40.800 0.028 0.000 0.900 262 D HN 0.258 nan 8.370 nan 0.000 0.531 263 G N -0.581 108.184 108.800 -0.059 0.000 2.175 263 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.244 263 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.244 263 G C 0.333 175.150 174.900 -0.139 0.000 0.982 263 G CA 0.222 45.206 45.100 -0.193 0.000 0.641 263 G HN 0.444 nan 8.290 nan 0.000 0.527 264 T N 1.121 115.611 114.554 -0.107 0.000 2.834 264 T HA 0.371 4.720 4.350 -0.002 0.000 0.298 264 T C -0.014 174.604 174.700 -0.137 0.000 0.966 264 T CA 0.081 62.136 62.100 -0.075 0.000 1.141 264 T CB 1.023 69.857 68.868 -0.057 0.000 0.905 264 T HN 0.364 nan 8.240 nan 0.000 0.535 265 Y N 4.427 124.544 120.300 -0.304 0.000 2.309 265 Y HA 0.496 5.045 4.550 -0.002 0.000 0.327 265 Y C -0.084 175.642 175.900 -0.290 0.000 1.172 265 Y CA -0.481 57.348 58.100 -0.452 0.000 1.280 265 Y CB 0.660 38.474 38.460 -1.076 0.000 1.234 265 Y HN 0.443 nan 8.280 nan 0.000 0.512 266 V N 5.253 124.621 119.914 -0.910 0.000 3.007 266 V HA 0.853 4.972 4.120 -0.002 0.000 0.311 266 V C -0.279 175.462 176.094 -0.589 0.000 1.120 266 V CA 0.113 62.081 62.300 -0.553 0.000 0.980 266 V CB 0.818 32.457 31.823 -0.307 0.000 1.033 266 V HN 1.389 nan 8.190 nan 0.000 0.429 267 K N 3.593 123.835 120.400 -0.264 0.000 1.462 267 K HA -0.142 4.177 4.320 -0.002 0.000 0.669 267 K C -2.526 174.043 176.600 -0.052 0.000 1.902 267 K CA 0.730 56.940 56.287 -0.128 0.000 1.050 267 K CB -3.238 29.191 32.500 -0.118 0.000 1.861 267 K HN 0.999 nan 8.250 nan 0.000 0.563 268 P HA 0.432 nan 4.420 nan 0.000 0.269 268 P C 0.013 177.338 177.300 0.042 0.000 1.209 268 P CA -0.401 62.736 63.100 0.062 0.000 0.776 268 P CB 0.458 32.224 31.700 0.110 0.000 0.876 279 V N 0.210 120.065 119.914 -0.098 0.000 2.407 279 V HA -0.119 4.000 4.120 -0.002 0.000 0.248 279 V C 1.647 177.739 176.094 -0.004 0.000 1.055 279 V CA 2.256 64.494 62.300 -0.103 0.000 1.049 279 V CB -1.182 30.530 31.823 -0.184 0.000 0.662 279 V HN 0.846 nan 8.190 nan 0.000 0.455 280 F N 2.381 122.289 119.950 -0.070 0.000 2.084 280 F HA -0.100 4.426 4.527 -0.002 0.000 0.296 280 F C 2.419 178.229 175.800 0.017 0.000 1.111 280 F CA 2.536 60.519 58.000 -0.029 0.000 1.224 280 F CB -0.317 38.657 39.000 -0.043 0.000 0.991 280 F HN 0.133 nan 8.300 nan 0.000 0.471 281 V N -0.930 119.137 119.914 0.256 0.000 2.594 281 V HA -0.184 3.935 4.120 -0.002 0.000 0.253 281 V C 2.235 178.416 176.094 0.145 0.000 1.069 281 V CA 1.795 64.206 62.300 0.185 0.000 1.082 281 V CB -0.906 30.975 31.823 0.097 0.000 0.680 281 V HN 0.325 nan 8.190 nan 0.000 0.469 282 R N 0.736 121.273 120.500 0.062 0.000 2.073 282 R HA -0.002 4.337 4.340 -0.002 0.000 0.229 282 R C 2.680 178.974 176.300 -0.010 0.000 1.120 282 R CA 1.510 57.626 56.100 0.027 0.000 0.967 282 R CB -0.550 29.743 30.300 -0.011 0.000 0.862 282 R HN 0.582 nan 8.270 nan 0.000 0.436 283 S N 0.953 116.613 115.700 -0.066 0.000 2.370 283 S HA -0.177 4.291 4.470 -0.002 0.000 0.226 283 S C 1.546 176.079 174.600 -0.110 0.000 1.033 283 S CA 1.367 59.495 58.200 -0.119 0.000 1.011 283 S CB -0.317 62.754 63.200 -0.215 0.000 0.852 283 S HN 0.323 nan 8.310 nan 0.000 0.457 284 F N 2.207 122.030 119.950 -0.210 0.000 2.186 284 F HA 0.006 4.532 4.527 -0.002 0.000 0.299 284 F C 1.732 177.510 175.800 -0.037 0.000 1.090 284 F CA 1.101 59.021 58.000 -0.135 0.000 1.307 284 F CB -0.319 38.616 39.000 -0.107 0.000 1.019 284 F HN 0.076 nan 8.300 nan 0.000 0.489 285 L N -0.542 120.695 121.223 0.024 0.000 2.141 285 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 285 L C 2.328 179.131 176.870 -0.112 0.000 1.094 285 L CA 0.657 55.487 54.840 -0.016 0.000 0.763 285 L CB -0.646 41.486 42.059 0.122 0.000 0.908 285 L HN 0.052 nan 8.230 nan 0.000 0.437 286 V N -0.005 119.829 119.914 -0.134 0.000 2.427 286 V HA -0.170 3.948 4.120 -0.002 0.000 0.248 286 V C 2.569 178.535 176.094 -0.214 0.000 1.051 286 V CA 1.918 64.117 62.300 -0.169 0.000 1.048 286 V CB -0.992 30.740 31.823 -0.151 0.000 0.666 286 V HN 0.556 nan 8.190 nan 0.000 0.456 287 G N -0.439 108.203 108.800 -0.262 0.000 2.408 287 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.217 287 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.217 287 G C 1.431 176.133 174.900 -0.331 0.000 1.150 287 G CA 0.967 45.898 45.100 -0.283 0.000 0.776 287 G HN 0.594 nan 8.290 nan 0.000 0.542 288 N N 0.509 118.944 118.700 -0.441 0.000 2.120 288 N HA -0.055 4.684 4.740 -0.002 0.000 0.188 288 N C 2.501 177.950 175.510 -0.102 0.000 1.024 288 N CA 1.042 53.918 53.050 -0.291 0.000 0.852 288 N CB -0.169 38.143 38.487 -0.293 0.000 1.003 288 N HN 0.259 nan 8.380 nan 0.000 0.424 289 A N 0.826 123.623 122.820 -0.038 0.000 1.877 289 A HA -0.014 4.305 4.320 -0.002 0.000 0.216 289 A C 2.352 179.738 177.584 -0.330 0.000 1.186 289 A CA 1.685 53.600 52.037 -0.204 0.000 0.620 289 A CB -1.056 17.943 19.000 -0.000 0.000 0.822 289 A HN 0.488 nan 8.150 nan 0.000 0.443 290 A N -1.219 121.428 122.820 -0.287 0.000 1.877 290 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 290 A C 2.172 179.399 177.584 -0.595 0.000 1.186 290 A CA 1.682 53.414 52.037 -0.507 0.000 0.620 290 A CB -0.505 17.992 19.000 -0.839 0.000 0.822 290 A HN 0.513 nan 8.150 nan 0.000 0.443 291 Q N -0.073 119.495 119.800 -0.386 0.000 2.079 291 Q HA -0.102 4.237 4.340 -0.002 0.000 0.200 291 Q C 2.506 178.356 176.000 -0.250 0.000 0.974 291 Q CA 1.796 57.507 55.803 -0.154 0.000 0.840 291 Q CB -0.475 28.258 28.738 -0.009 0.000 0.898 291 Q HN 0.657 nan 8.270 nan 0.000 0.430 292 S N 1.333 116.837 115.700 -0.326 0.000 2.368 292 S HA -0.128 4.341 4.470 -0.002 0.000 0.224 292 S C 1.929 176.293 174.600 -0.394 0.000 1.029 292 S CA 0.810 58.787 58.200 -0.371 0.000 0.988 292 S CB -0.286 62.637 63.200 -0.461 0.000 0.838 292 S HN 0.225 nan 8.310 nan 0.000 0.462 293 L N 2.420 123.381 121.223 -0.437 0.000 2.083 293 L HA -0.093 4.246 4.340 -0.002 0.000 0.209 293 L C 2.388 179.085 176.870 -0.288 0.000 1.083 293 L CA 2.056 56.697 54.840 -0.330 0.000 0.752 293 L CB -0.940 40.935 42.059 -0.307 0.000 0.899 293 L HN 0.417 nan 8.230 nan 0.000 0.433 294 S N -1.398 114.069 115.700 -0.387 0.000 2.383 294 S HA -0.195 4.274 4.470 -0.002 0.000 0.227 294 S C 2.021 176.459 174.600 -0.271 0.000 1.026 294 S CA 1.020 58.902 58.200 -0.529 0.000 0.981 294 S CB -0.499 61.993 63.200 -1.180 0.000 0.818 294 S HN 0.516 nan 8.310 nan 0.000 0.472 295 K N 1.585 121.753 120.400 -0.387 0.000 2.057 295 K HA 0.081 4.400 4.320 -0.002 0.000 0.207 295 K C 2.585 179.056 176.600 -0.215 0.000 1.049 295 K CA 1.216 57.191 56.287 -0.520 0.000 0.931 295 K CB -0.571 31.509 32.500 -0.700 0.000 0.714 295 K HN 0.495 nan 8.250 nan 0.000 0.440 296 A N 0.962 123.673 122.820 -0.182 0.000 1.902 296 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 296 A C 2.402 179.973 177.584 -0.021 0.000 1.181 296 A CA 1.733 53.712 52.037 -0.096 0.000 0.623 296 A CB -1.151 17.790 19.000 -0.098 0.000 0.818 296 A HN 0.575 nan 8.150 nan 0.000 0.443 297 C N -1.024 118.277 119.300 0.002 0.000 2.440 297 C HA -0.063 4.396 4.460 -0.002 0.000 0.278 297 C C 2.874 177.968 174.990 0.173 0.000 1.295 297 C CA 1.941 61.019 59.018 0.099 0.000 1.738 297 C CB -1.577 26.247 27.740 0.139 0.000 1.987 297 C HN 0.588 nan 8.230 nan 0.000 0.492 298 T N 1.412 116.090 114.554 0.206 0.000 2.684 298 T HA -0.123 4.226 4.350 -0.002 0.000 0.267 298 T C 1.624 176.421 174.700 0.162 0.000 1.036 298 T CA 2.110 64.369 62.100 0.265 0.000 1.148 298 T CB -0.296 68.793 68.868 0.369 0.000 0.863 298 T HN 0.599 nan 8.240 nan 0.000 0.436 299 I N 1.212 121.838 120.570 0.093 0.000 2.142 299 I HA -0.166 4.003 4.170 -0.002 0.000 0.240 299 I C 2.915 179.095 176.117 0.105 0.000 1.078 299 I CA 1.219 62.556 61.300 0.061 0.000 1.343 299 I CB -0.466 37.528 38.000 -0.010 0.000 1.046 299 I HN 0.186 nan 8.210 nan 0.000 0.405 300 A N 0.678 123.561 122.820 0.106 0.000 1.930 300 A HA -0.124 4.194 4.320 -0.002 0.000 0.217 300 A C 2.300 179.988 177.584 0.174 0.000 1.175 300 A CA 1.382 53.509 52.037 0.150 0.000 0.627 300 A CB -0.700 18.363 19.000 0.105 0.000 0.815 300 A HN 0.396 nan 8.150 nan 0.000 0.443 301 I N -1.343 119.326 120.570 0.164 0.000 2.333 301 I HA -0.180 3.988 4.170 -0.002 0.000 0.246 301 I C 2.770 178.963 176.117 0.127 0.000 1.106 301 I CA 0.898 62.301 61.300 0.171 0.000 1.411 301 I CB -0.311 37.819 38.000 0.217 0.000 1.082 301 I HN 0.285 nan 8.210 nan 0.000 0.420 302 R N -0.153 120.417 120.500 0.117 0.000 2.073 302 R HA -0.222 4.117 4.340 -0.002 0.000 0.234 302 R C 2.418 178.763 176.300 0.076 0.000 1.134 302 R CA 1.734 57.873 56.100 0.066 0.000 0.952 302 R CB -0.588 29.743 30.300 0.052 0.000 0.850 302 R HN 0.280 nan 8.270 nan 0.000 0.433 303 Y N 1.549 121.846 120.300 -0.005 0.000 2.165 303 Y HA -0.201 4.348 4.550 -0.002 0.000 0.286 303 Y C 2.264 178.172 175.900 0.014 0.000 1.155 303 Y CA 1.422 59.513 58.100 -0.015 0.000 1.164 303 Y CB -0.265 38.193 38.460 -0.003 0.000 0.978 303 Y HN -0.063 nan 8.280 nan 0.000 0.513 304 S N -0.038 115.635 115.700 -0.045 0.000 2.419 304 S HA -0.151 4.318 4.470 -0.002 0.000 0.233 304 S C 2.146 176.677 174.600 -0.115 0.000 1.016 304 S CA 0.930 59.068 58.200 -0.104 0.000 0.974 304 S CB -0.585 62.628 63.200 0.022 0.000 0.786 304 S HN 0.608 nan 8.310 nan 0.000 0.492 305 A N 0.391 123.168 122.820 -0.072 0.000 2.072 305 A HA 0.163 4.482 4.320 -0.002 0.000 0.216 305 A C 2.084 179.608 177.584 -0.100 0.000 1.156 305 A CA 0.631 52.630 52.037 -0.064 0.000 0.701 305 A CB -0.188 18.793 19.000 -0.032 0.000 0.816 305 A HN 0.360 nan 8.150 nan 0.000 0.458 306 V N -0.422 119.403 119.914 -0.148 0.000 2.685 306 V HA 0.065 4.184 4.120 -0.002 0.000 0.244 306 V C 1.268 177.258 176.094 -0.174 0.000 1.054 306 V CA 0.727 62.937 62.300 -0.150 0.000 1.076 306 V CB -0.510 31.219 31.823 -0.156 0.000 0.725 306 V HN 0.498 nan 8.190 nan 0.000 0.467 307 R N 2.124 122.409 120.500 -0.359 0.000 2.370 307 R HA 0.199 4.538 4.340 -0.002 0.000 0.309 307 R C -0.158 176.076 176.300 -0.110 0.000 1.059 307 R CA 0.395 56.318 56.100 -0.295 0.000 0.981 307 R CB -0.111 29.777 30.300 -0.686 0.000 0.972 307 R HN 0.340 nan 8.270 nan 0.000 0.437 308 R N 3.207 123.707 120.500 -0.001 0.000 2.445 308 R HA 0.408 4.747 4.340 -0.002 0.000 0.308 308 R C -0.918 175.412 176.300 0.050 0.000 0.961 308 R CA -0.832 55.271 56.100 0.005 0.000 0.862 308 R CB 1.786 32.092 30.300 0.009 0.000 1.144 308 R HN 0.554 nan 8.270 nan 0.000 0.447 309 Q N 1.047 120.897 119.800 0.083 0.000 2.527 309 Q HA 0.340 4.679 4.340 -0.002 0.000 0.280 309 Q C -0.982 175.140 176.000 0.204 0.000 0.977 309 Q CA -0.168 55.710 55.803 0.124 0.000 0.837 309 Q CB 1.921 30.737 28.738 0.131 0.000 1.454 309 Q HN 0.700 nan 8.270 nan 0.000 0.387 310 S N 0.607 116.393 115.700 0.143 0.000 3.245 310 S HA -0.233 4.235 4.470 -0.002 0.000 0.631 310 S C -0.613 174.100 174.600 0.189 0.000 2.821 310 S CA 1.196 59.490 58.200 0.157 0.000 3.266 310 S CB -1.021 62.278 63.200 0.165 0.000 0.314 310 S HN 0.938 nan 8.310 nan 0.000 1.621 311 E N -0.686 119.662 120.200 0.246 0.000 2.437 311 E HA 0.758 5.107 4.350 -0.002 0.000 0.280 311 E C 0.063 176.803 176.600 0.233 0.000 1.044 311 E CA -0.891 55.614 56.400 0.176 0.000 0.826 311 E CB 0.972 30.724 29.700 0.086 0.000 1.358 311 E HN 0.490 nan 8.360 nan 0.000 0.459 312 I N -0.317 120.327 120.570 0.124 0.000 4.083 312 I HA 0.172 4.341 4.170 -0.002 0.000 0.240 312 I C 0.354 176.507 176.117 0.061 0.000 1.088 312 I CA -0.453 60.916 61.300 0.116 0.000 1.651 312 I CB 0.340 38.362 38.000 0.037 0.000 1.573 312 I HN 0.285 nan 8.210 nan 0.000 0.451 313 K N 2.130 122.547 120.400 0.028 0.000 2.276 313 K HA 0.135 4.454 4.320 -0.002 0.000 0.285 313 K C 0.486 177.098 176.600 0.019 0.000 1.062 313 K CA -0.024 56.274 56.287 0.018 0.000 0.918 313 K CB 1.488 33.992 32.500 0.006 0.000 1.055 313 K HN 0.193 nan 8.250 nan 0.000 0.477 314 Q N 0.932 120.744 119.800 0.019 0.000 2.197 314 Q HA -0.184 4.155 4.340 -0.002 0.000 0.207 314 Q C 1.512 177.518 176.000 0.010 0.000 0.984 314 Q CA 2.017 57.830 55.803 0.017 0.000 0.869 314 Q CB 0.134 28.880 28.738 0.013 0.000 0.906 314 Q HN 0.693 nan 8.270 nan 0.000 0.426 315 S N -0.998 114.706 115.700 0.006 0.000 2.603 315 S HA 0.029 4.498 4.470 -0.002 0.000 0.220 315 S C 0.259 174.859 174.600 0.000 0.000 0.967 315 S CA -0.067 58.135 58.200 0.003 0.000 0.920 315 S CB 0.302 63.502 63.200 0.001 0.000 0.773 315 S HN 0.132 nan 8.310 nan 0.000 0.529 316 E N 2.305 122.505 120.200 0.000 0.000 2.235 316 E HA 0.552 4.901 4.350 -0.002 0.000 0.265 316 E C -2.515 174.082 176.600 -0.005 0.000 0.940 316 E CA -2.372 54.024 56.400 -0.006 0.000 0.819 316 E CB 1.171 30.863 29.700 -0.012 0.000 1.206 316 E HN 0.147 nan 8.360 nan 0.000 0.409 317 P HA 0.091 nan 4.420 nan 0.000 0.274 317 P C -0.908 176.385 177.300 -0.011 0.000 1.246 317 P CA -0.249 62.846 63.100 -0.008 0.000 0.795 317 P CB 0.485 32.179 31.700 -0.010 0.000 1.006 318 E N 2.061 122.260 120.200 -0.001 0.000 2.558 318 E HA 0.025 4.374 4.350 -0.002 0.000 0.255 318 E C -1.674 174.903 176.600 -0.037 0.000 0.968 318 E CA -0.915 55.487 56.400 0.003 0.000 0.939 318 E CB -0.301 29.413 29.700 0.023 0.000 0.921 318 E HN 0.401 nan 8.360 nan 0.000 0.477 319 P HA 0.044 nan 4.420 nan 0.000 0.280 319 P C -0.852 176.336 177.300 -0.187 0.000 1.272 319 P CA -0.549 62.448 63.100 -0.173 0.000 0.819 319 P CB 0.760 32.281 31.700 -0.298 0.000 1.122 320 Q N 0.204 119.895 119.800 -0.182 0.000 2.337 320 Q HA 0.105 4.444 4.340 -0.002 0.000 0.270 320 Q C 1.486 177.349 176.000 -0.228 0.000 1.002 320 Q CA -0.049 55.662 55.803 -0.152 0.000 0.888 320 Q CB 0.332 28.999 28.738 -0.119 0.000 1.222 320 Q HN 0.416 nan 8.270 nan 0.000 0.400 321 I N -0.284 120.214 120.570 -0.120 0.000 2.700 321 I HA -0.202 3.967 4.170 -0.002 0.000 0.261 321 I C 1.514 177.615 176.117 -0.027 0.000 1.219 321 I CA 0.792 62.098 61.300 0.010 0.000 1.463 321 I CB -0.256 37.847 38.000 0.171 0.000 1.092 321 I HN 0.534 nan 8.210 nan 0.000 0.452 322 L N 1.862 123.039 121.223 -0.076 0.000 2.353 322 L HA -0.142 4.197 4.340 -0.002 0.000 0.220 322 L C 1.566 178.387 176.870 -0.081 0.000 1.133 322 L CA 1.762 56.577 54.840 -0.042 0.000 0.798 322 L CB -0.931 41.131 42.059 0.005 0.000 0.922 322 L HN 0.174 nan 8.230 nan 0.000 0.445 323 D N -1.050 119.222 120.400 -0.213 0.000 2.269 323 D HA -0.067 4.572 4.640 -0.002 0.000 0.208 323 D C 0.333 176.502 176.300 -0.218 0.000 0.963 323 D CA 0.620 54.472 54.000 -0.247 0.000 0.864 323 D CB -0.094 40.478 40.800 -0.379 0.000 0.936 323 D HN 0.184 nan 8.370 nan 0.000 0.505 324 F N 1.401 121.331 119.950 -0.034 0.000 2.504 324 F HA 0.101 4.626 4.527 -0.002 0.000 0.369 324 F C 1.867 177.635 175.800 -0.054 0.000 1.082 324 F CA -0.319 57.658 58.000 -0.037 0.000 1.216 324 F CB 0.616 39.595 39.000 -0.035 0.000 1.108 324 F HN -0.165 nan 8.300 nan 0.000 0.554 325 Q N 1.493 121.390 119.800 0.162 0.000 2.135 325 Q HA -0.209 4.130 4.340 -0.002 0.000 0.204 325 Q C 1.952 177.989 176.000 0.063 0.000 0.981 325 Q CA 2.352 58.197 55.803 0.071 0.000 0.856 325 Q CB 0.067 28.837 28.738 0.052 0.000 0.902 325 Q HN 0.929 nan 8.270 nan 0.000 0.425 326 T N -2.006 112.593 114.554 0.074 0.000 2.867 326 T HA -0.187 4.162 4.350 -0.002 0.000 0.268 326 T C 1.714 176.460 174.700 0.075 0.000 1.057 326 T CA 1.280 63.421 62.100 0.068 0.000 1.136 326 T CB -0.212 68.660 68.868 0.006 0.000 0.874 326 T HN 0.216 nan 8.240 nan 0.000 0.466 327 Q N 1.300 121.136 119.800 0.060 0.000 2.079 327 Q HA -0.022 4.316 4.340 -0.002 0.000 0.200 327 Q C 2.446 178.349 176.000 -0.161 0.000 0.974 327 Q CA 1.539 57.347 55.803 0.008 0.000 0.840 327 Q CB -0.391 28.397 28.738 0.083 0.000 0.898 327 Q HN 0.713 nan 8.270 nan 0.000 0.430 328 Q N -1.464 118.169 119.800 -0.278 0.000 2.119 328 Q HA -0.176 4.163 4.340 -0.002 0.000 0.201 328 Q C 1.625 177.329 176.000 -0.493 0.000 0.972 328 Q CA 1.345 56.672 55.803 -0.793 0.000 0.847 328 Q CB -0.207 28.127 28.738 -0.672 0.000 0.903 328 Q HN 0.464 nan 8.270 nan 0.000 0.433 329 Y N 1.601 121.753 120.300 -0.245 0.000 2.293 329 Y HA -0.150 4.399 4.550 -0.002 0.000 0.291 329 Y C 1.700 177.550 175.900 -0.084 0.000 1.137 329 Y CA 1.272 59.312 58.100 -0.100 0.000 1.202 329 Y CB 0.215 38.667 38.460 -0.013 0.000 0.990 329 Y HN -0.098 nan 8.280 nan 0.000 0.537 330 K N -0.510 119.845 120.400 -0.075 0.000 2.062 330 K HA -0.062 4.257 4.320 -0.002 0.000 0.205 330 K C 1.806 178.322 176.600 -0.139 0.000 1.051 330 K CA 1.640 57.867 56.287 -0.099 0.000 0.941 330 K CB -0.054 32.436 32.500 -0.017 0.000 0.719 330 K HN 0.331 nan 8.250 nan 0.000 0.440 331 L N -0.911 120.228 121.223 -0.140 0.000 2.269 331 L HA 0.096 4.435 4.340 -0.002 0.000 0.200 331 L C 2.187 179.134 176.870 0.128 0.000 1.069 331 L CA 0.441 55.268 54.840 -0.021 0.000 0.804 331 L CB -0.431 41.654 42.059 0.043 0.000 0.987 331 L HN 0.086 nan 8.230 nan 0.000 0.468 332 F N 0.953 120.871 119.950 -0.053 0.000 2.126 332 F HA -0.161 4.365 4.527 -0.002 0.000 0.299 332 F C -0.122 175.609 175.800 -0.115 0.000 1.096 332 F CA 0.722 58.696 58.000 -0.044 0.000 1.255 332 F CB -1.564 37.428 39.000 -0.014 0.000 0.997 332 F HN 0.147 nan 8.300 nan 0.000 0.479 333 P HA -0.154 nan 4.420 nan 0.000 0.218 333 P C 1.554 178.716 177.300 -0.231 0.000 1.149 333 P CA 1.344 64.208 63.100 -0.394 0.000 0.817 333 P CB -0.055 30.923 31.700 -1.203 0.000 0.785 334 L N -1.640 119.486 121.223 -0.161 0.000 2.179 334 L HA -0.064 4.275 4.340 -0.002 0.000 0.208 334 L C 2.418 179.281 176.870 -0.012 0.000 1.096 334 L CA 0.775 55.560 54.840 -0.093 0.000 0.779 334 L CB -0.732 41.282 42.059 -0.074 0.000 0.922 334 L HN 0.002 nan 8.230 nan 0.000 0.443 335 L N 0.021 121.300 121.223 0.093 0.000 2.056 335 L HA -0.189 4.150 4.340 -0.002 0.000 0.207 335 L C 2.749 179.765 176.870 0.244 0.000 1.078 335 L CA 1.436 56.401 54.840 0.209 0.000 0.749 335 L CB -0.242 41.962 42.059 0.242 0.000 0.901 335 L HN 0.264 nan 8.230 nan 0.000 0.433 336 A N -0.870 122.057 122.820 0.178 0.000 1.902 336 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 336 A C 2.180 179.833 177.584 0.114 0.000 1.181 336 A CA 2.173 54.353 52.037 0.238 0.000 0.623 336 A CB -0.909 18.244 19.000 0.255 0.000 0.818 336 A HN 0.466 nan 8.150 nan 0.000 0.443 337 T N 0.384 114.930 114.554 -0.013 0.000 2.746 337 T HA -0.043 4.306 4.350 -0.002 0.000 0.267 337 T C 2.224 176.485 174.700 -0.731 0.000 1.039 337 T CA 1.571 63.423 62.100 -0.414 0.000 1.142 337 T CB -0.466 68.201 68.868 -0.335 0.000 0.866 337 T HN 0.605 nan 8.240 nan 0.000 0.444 338 A N 0.484 123.080 122.820 -0.374 0.000 1.883 338 A HA -0.122 4.197 4.320 -0.002 0.000 0.217 338 A C 2.066 179.474 177.584 -0.293 0.000 1.186 338 A CA 1.554 53.375 52.037 -0.360 0.000 0.624 338 A CB -1.142 17.742 19.000 -0.193 0.000 0.822 338 A HN 0.565 nan 8.150 nan 0.000 0.444 339 Y N -0.155 120.074 120.300 -0.118 0.000 2.181 339 Y HA -0.111 4.437 4.550 -0.002 0.000 0.288 339 Y C 2.934 178.436 175.900 -0.663 0.000 1.146 339 Y CA 1.130 59.096 58.100 -0.224 0.000 1.164 339 Y CB -0.412 38.005 38.460 -0.071 0.000 0.982 339 Y HN 0.346 nan 8.280 nan 0.000 0.515 340 A N -0.127 122.283 122.820 -0.683 0.000 1.908 340 A HA -0.202 4.117 4.320 -0.002 0.000 0.218 340 A C 2.134 179.562 177.584 -0.260 0.000 1.181 340 A CA 1.604 53.111 52.037 -0.883 0.000 0.627 340 A CB -1.307 17.148 19.000 -0.909 0.000 0.818 340 A HN 0.566 nan 8.150 nan 0.000 0.445 341 F N -1.540 118.171 119.950 -0.398 0.000 2.259 341 F HA -0.143 4.383 4.527 -0.002 0.000 0.298 341 F C 2.433 178.030 175.800 -0.340 0.000 1.088 341 F CA 0.980 58.796 58.000 -0.307 0.000 1.358 341 F CB -0.339 38.473 39.000 -0.312 0.000 1.040 341 F HN 0.347 nan 8.300 nan 0.000 0.505 342 H N -0.546 118.382 119.070 -0.237 0.000 2.321 342 H HA -0.160 4.395 4.556 -0.002 0.000 0.300 342 H C 1.952 177.094 175.328 -0.310 0.000 1.087 342 H CA 2.201 58.026 56.048 -0.371 0.000 1.319 342 H CB -0.287 29.089 29.762 -0.643 0.000 1.379 342 H HN 0.167 nan 8.280 nan 0.000 0.501 343 F N -0.905 119.050 119.950 0.009 0.000 2.259 343 F HA -0.145 4.381 4.527 -0.002 0.000 0.298 343 F C 2.338 178.156 175.800 0.031 0.000 1.088 343 F CA 0.164 58.162 58.000 -0.003 0.000 1.358 343 F CB -0.080 38.863 39.000 -0.095 0.000 1.040 343 F HN -0.018 nan 8.300 nan 0.000 0.505 344 V N 0.047 120.047 119.914 0.143 0.000 2.358 344 V HA -0.221 3.898 4.120 -0.002 0.000 0.246 344 V C 2.624 178.795 176.094 0.129 0.000 1.047 344 V CA 2.041 64.411 62.300 0.117 0.000 1.035 344 V CB -1.293 30.560 31.823 0.050 0.000 0.658 344 V HN 0.469 nan 8.190 nan 0.000 0.452 345 G N -0.361 108.467 108.800 0.047 0.000 2.421 345 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.216 345 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.216 345 G C 1.727 176.654 174.900 0.045 0.000 1.171 345 G CA 0.373 45.475 45.100 0.004 0.000 0.775 345 G HN 0.278 nan 8.290 nan 0.000 0.543 346 R N -0.396 120.165 120.500 0.102 0.000 2.081 346 R HA -0.084 4.255 4.340 -0.002 0.000 0.235 346 R C 2.204 178.580 176.300 0.126 0.000 1.131 346 R CA 1.236 57.408 56.100 0.120 0.000 0.960 346 R CB -1.226 29.192 30.300 0.196 0.000 0.856 346 R HN 0.579 nan 8.270 nan 0.000 0.436 347 Y N 1.104 121.441 120.300 0.060 0.000 2.165 347 Y HA -0.224 4.325 4.550 -0.002 0.000 0.286 347 Y C 2.260 178.168 175.900 0.013 0.000 1.155 347 Y CA 1.820 59.944 58.100 0.041 0.000 1.164 347 Y CB -0.295 38.189 38.460 0.039 0.000 0.978 347 Y HN -0.066 nan 8.280 nan 0.000 0.513 348 M N 0.218 119.811 119.600 -0.012 0.000 2.067 348 M HA -0.231 4.248 4.480 -0.002 0.000 0.260 348 M C 2.425 178.627 176.300 -0.164 0.000 1.069 348 M CA 2.100 57.325 55.300 -0.124 0.000 1.117 348 M CB -0.430 32.156 32.600 -0.023 0.000 1.334 348 M HN 0.130 nan 8.290 nan 0.000 0.407 349 K N 0.522 120.857 120.400 -0.108 0.000 2.032 349 K HA -0.214 4.105 4.320 -0.002 0.000 0.209 349 K C 1.799 178.343 176.600 -0.094 0.000 1.048 349 K CA 1.754 57.979 56.287 -0.103 0.000 0.927 349 K CB -0.048 32.407 32.500 -0.074 0.000 0.712 349 K HN 0.337 nan 8.250 nan 0.000 0.441 350 E N -0.565 119.576 120.200 -0.100 0.000 2.038 350 E HA -0.171 4.178 4.350 -0.002 0.000 0.195 350 E C 1.941 178.448 176.600 -0.155 0.000 1.000 350 E CA 2.083 58.424 56.400 -0.098 0.000 0.803 350 E CB -0.043 29.611 29.700 -0.076 0.000 0.750 350 E HN 0.333 nan 8.360 nan 0.000 0.448 351 T N -0.495 113.877 114.554 -0.304 0.000 2.720 351 T HA -0.259 4.089 4.350 -0.002 0.000 0.268 351 T C 2.060 176.666 174.700 -0.158 0.000 1.037 351 T CA 1.894 63.814 62.100 -0.300 0.000 1.144 351 T CB -0.831 67.723 68.868 -0.523 0.000 0.864 351 T HN 0.475 nan 8.240 nan 0.000 0.444 352 Y N 0.820 121.036 120.300 -0.138 0.000 2.293 352 Y HA 0.274 4.822 4.550 -0.002 0.000 0.291 352 Y C 3.005 178.887 175.900 -0.031 0.000 1.137 352 Y CA 1.285 59.342 58.100 -0.072 0.000 1.202 352 Y CB -1.316 37.106 38.460 -0.062 0.000 0.990 352 Y HN 0.423 nan 8.280 nan 0.000 0.537 353 L N 0.343 121.547 121.223 -0.032 0.000 2.465 353 L HA 0.488 4.826 4.340 -0.002 0.000 0.224 353 L C 1.719 178.584 176.870 -0.008 0.000 1.145 353 L CA 1.539 56.376 54.840 -0.005 0.000 0.834 353 L CB -2.261 39.798 42.059 -0.000 0.000 0.944 353 L HN 0.960 nan 8.230 nan 0.000 0.451 366 E N 1.287 121.521 120.200 0.057 0.000 2.463 366 E HA 0.256 4.605 4.350 -0.002 0.000 0.193 366 E C 1.020 177.654 176.600 0.056 0.000 1.041 366 E CA -0.317 56.122 56.400 0.064 0.000 0.879 366 E CB 0.236 29.971 29.700 0.058 0.000 0.997 366 E HN 0.396 nan 8.360 nan 0.000 0.478 367 L N 0.707 121.966 121.223 0.060 0.000 2.072 367 L HA -0.037 4.302 4.340 -0.002 0.000 0.205 367 L C -0.623 176.298 176.870 0.086 0.000 1.079 367 L CA 1.742 56.644 54.840 0.104 0.000 0.752 367 L CB -1.941 40.162 42.059 0.073 0.000 0.906 367 L HN 0.072 nan 8.230 nan 0.000 0.436 368 P HA -0.204 nan 4.420 nan 0.000 0.215 368 P C 1.526 178.668 177.300 -0.263 0.000 1.157 368 P CA 1.306 64.366 63.100 -0.067 0.000 0.868 368 P CB 0.152 31.911 31.700 0.097 0.000 0.788 369 E N -0.394 119.635 120.200 -0.285 0.000 2.085 369 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 369 E C 1.829 178.248 176.600 -0.301 0.000 0.994 369 E CA 1.105 57.172 56.400 -0.555 0.000 0.801 369 E CB -1.196 28.453 29.700 -0.086 0.000 0.743 369 E HN 0.015 nan 8.360 nan 0.000 0.453 370 L N 0.129 121.308 121.223 -0.073 0.000 2.017 370 L HA -0.130 4.209 4.340 -0.002 0.000 0.208 370 L C 2.025 178.876 176.870 -0.032 0.000 1.073 370 L CA 2.169 56.996 54.840 -0.021 0.000 0.745 370 L CB -0.758 41.311 42.059 0.017 0.000 0.894 370 L HN 0.241 nan 8.230 nan 0.000 0.432 371 H N -0.449 118.552 119.070 -0.116 0.000 2.321 371 H HA -0.037 4.518 4.556 -0.002 0.000 0.300 371 H C 2.173 177.444 175.328 -0.095 0.000 1.087 371 H CA 1.582 57.582 56.048 -0.081 0.000 1.319 371 H CB -0.675 29.051 29.762 -0.061 0.000 1.379 371 H HN 0.502 nan 8.280 nan 0.000 0.501 372 A N 0.593 123.370 122.820 -0.072 0.000 1.858 372 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 372 A C 2.332 179.900 177.584 -0.026 0.000 1.190 372 A CA 1.703 53.671 52.037 -0.115 0.000 0.617 372 A CB -0.905 17.800 19.000 -0.492 0.000 0.827 372 A HN 0.332 nan 8.150 nan 0.000 0.443 373 L N -0.569 120.623 121.223 -0.052 0.000 2.046 373 L HA -0.099 4.240 4.340 -0.002 0.000 0.208 373 L C 2.585 179.490 176.870 0.059 0.000 1.077 373 L CA 2.795 57.681 54.840 0.077 0.000 0.747 373 L CB -1.001 41.127 42.059 0.115 0.000 0.896 373 L HN 0.424 nan 8.230 nan 0.000 0.432 374 T N -1.344 113.217 114.554 0.012 0.000 2.867 374 T HA -0.116 4.233 4.350 -0.002 0.000 0.268 374 T C 1.851 176.551 174.700 0.001 0.000 1.057 374 T CA 1.275 63.371 62.100 -0.007 0.000 1.136 374 T CB -0.219 68.613 68.868 -0.059 0.000 0.874 374 T HN 0.513 nan 8.240 nan 0.000 0.466 375 A N 0.612 123.441 122.820 0.016 0.000 1.873 375 A HA 0.209 4.528 4.320 -0.002 0.000 0.215 375 A C 2.614 180.218 177.584 0.033 0.000 1.186 375 A CA 1.850 53.902 52.037 0.025 0.000 0.616 375 A CB -1.412 17.620 19.000 0.053 0.000 0.823 375 A HN 0.572 nan 8.150 nan 0.000 0.442 376 G N -0.242 108.603 108.800 0.076 0.000 2.404 376 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.215 376 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.215 376 G C 1.557 176.519 174.900 0.104 0.000 1.174 376 G CA 0.991 46.160 45.100 0.114 0.000 0.780 376 G HN 0.414 nan 8.290 nan 0.000 0.537 377 L N 0.228 121.490 121.223 0.065 0.000 2.093 377 L HA -0.043 4.296 4.340 -0.002 0.000 0.208 377 L C 2.872 179.741 176.870 -0.002 0.000 1.085 377 L CA 1.118 55.983 54.840 0.042 0.000 0.755 377 L CB -0.307 41.754 42.059 0.004 0.000 0.904 377 L HN 0.139 nan 8.230 nan 0.000 0.435 378 K N 1.001 121.384 120.400 -0.029 0.000 2.032 378 K HA -0.197 4.121 4.320 -0.002 0.000 0.209 378 K C 2.000 178.526 176.600 -0.124 0.000 1.048 378 K CA 1.856 58.100 56.287 -0.071 0.000 0.927 378 K CB -0.111 32.356 32.500 -0.054 0.000 0.712 378 K HN 0.273 nan 8.250 nan 0.000 0.441 379 A N 0.442 123.176 122.820 -0.143 0.000 1.897 379 A HA -0.107 4.212 4.320 -0.002 0.000 0.215 379 A C 2.135 179.622 177.584 -0.162 0.000 1.181 379 A CA 1.087 52.914 52.037 -0.349 0.000 0.620 379 A CB -0.784 17.975 19.000 -0.401 0.000 0.821 379 A HN 0.408 nan 8.150 nan 0.000 0.443 380 F N 2.007 121.918 119.950 -0.065 0.000 2.069 380 F HA -0.226 4.300 4.527 -0.002 0.000 0.298 380 F C 2.821 178.618 175.800 -0.005 0.000 1.113 380 F CA 2.628 60.672 58.000 0.075 0.000 1.214 380 F CB -0.636 38.392 39.000 0.047 0.000 0.978 380 F HN 0.353 nan 8.300 nan 0.000 0.474 381 T N -2.739 111.706 114.554 -0.182 0.000 2.777 381 T HA -0.185 4.164 4.350 -0.002 0.000 0.266 381 T C 2.049 176.670 174.700 -0.130 0.000 1.040 381 T CA 1.838 63.578 62.100 -0.601 0.000 1.141 381 T CB -1.500 66.811 68.868 -0.928 0.000 0.868 381 T HN 0.453 nan 8.240 nan 0.000 0.444 382 T N -1.905 112.639 114.554 -0.017 0.000 2.788 382 T HA -0.121 4.228 4.350 -0.002 0.000 0.268 382 T C 1.728 176.601 174.700 0.289 0.000 1.044 382 T CA 0.750 62.984 62.100 0.224 0.000 1.139 382 T CB -0.758 68.107 68.868 -0.004 0.000 0.867 382 T HN 0.415 nan 8.240 nan 0.000 0.454 383 W N 2.630 123.958 121.300 0.045 0.000 2.379 383 W HA -0.023 4.635 4.660 -0.002 0.000 0.307 383 W C 3.023 179.562 176.519 0.033 0.000 1.200 383 W CA 1.751 59.115 57.345 0.031 0.000 1.297 383 W CB -1.328 28.118 29.460 -0.023 0.000 1.140 383 W HN 0.567 nan 8.180 nan 0.000 0.507 384 T N -1.852 112.826 114.554 0.207 0.000 2.777 384 T HA -0.045 4.304 4.350 -0.002 0.000 0.266 384 T C 1.987 176.789 174.700 0.170 0.000 1.040 384 T CA 1.789 63.974 62.100 0.141 0.000 1.141 384 T CB -0.775 68.173 68.868 0.133 0.000 0.868 384 T HN -0.024 nan 8.240 nan 0.000 0.444 385 A N 2.092 125.033 122.820 0.202 0.000 1.930 385 A HA -0.075 4.244 4.320 -0.002 0.000 0.217 385 A C 2.281 179.876 177.584 0.017 0.000 1.175 385 A CA 1.884 53.919 52.037 -0.003 0.000 0.627 385 A CB -1.256 17.590 19.000 -0.257 0.000 0.815 385 A HN 0.603 nan 8.150 nan 0.000 0.443 386 N N 0.242 119.103 118.700 0.269 0.000 2.025 386 N HA -0.138 4.601 4.740 -0.002 0.000 0.194 386 N C 1.818 177.541 175.510 0.356 0.000 1.044 386 N CA 2.330 55.645 53.050 0.442 0.000 0.851 386 N CB -0.376 38.402 38.487 0.485 0.000 1.036 386 N HN 0.352 nan 8.380 nan 0.000 0.422 387 A N -0.406 122.554 122.820 0.233 0.000 1.902 387 A HA -0.001 4.317 4.320 -0.002 0.000 0.217 387 A C 2.329 179.951 177.584 0.064 0.000 1.181 387 A CA 1.888 54.002 52.037 0.130 0.000 0.623 387 A CB -1.520 17.530 19.000 0.082 0.000 0.818 387 A HN 0.492 nan 8.150 nan 0.000 0.443 388 G N -0.016 108.815 108.800 0.052 0.000 2.442 388 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.219 388 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.219 388 G C 1.506 176.393 174.900 -0.022 0.000 1.141 388 G CA 1.159 46.258 45.100 -0.002 0.000 0.763 388 G HN 0.497 nan 8.290 nan 0.000 0.554 389 I N 0.260 120.829 120.570 -0.001 0.000 2.226 389 I HA -0.104 4.065 4.170 -0.002 0.000 0.245 389 I C 2.687 178.765 176.117 -0.064 0.000 1.100 389 I CA 0.937 62.231 61.300 -0.010 0.000 1.374 389 I CB -0.082 37.978 38.000 0.099 0.000 1.057 389 I HN 0.083 nan 8.210 nan 0.000 0.413 390 E N 0.524 120.639 120.200 -0.141 0.000 2.208 390 E HA -0.166 4.183 4.350 -0.002 0.000 0.193 390 E C 2.041 178.574 176.600 -0.112 0.000 0.988 390 E CA 0.768 57.018 56.400 -0.250 0.000 0.828 390 E CB -0.060 29.412 29.700 -0.381 0.000 0.763 390 E HN 0.438 nan 8.360 nan 0.000 0.478 391 E N 0.085 120.249 120.200 -0.061 0.000 2.106 391 E HA -0.122 4.226 4.350 -0.002 0.000 0.192 391 E C 2.235 178.823 176.600 -0.021 0.000 0.984 391 E CA 0.486 56.867 56.400 -0.030 0.000 0.806 391 E CB -0.353 29.336 29.700 -0.019 0.000 0.750 391 E HN 0.250 nan 8.360 nan 0.000 0.458 392 C N 0.870 120.155 119.300 -0.025 0.000 2.429 392 C HA -0.057 4.402 4.460 -0.002 0.000 0.277 392 C C 2.724 177.713 174.990 -0.001 0.000 1.262 392 C CA 0.305 59.320 59.018 -0.004 0.000 1.733 392 C CB -0.755 26.978 27.740 -0.011 0.000 2.010 392 C HN 0.380 nan 8.230 nan 0.000 0.483 393 R N 0.812 121.293 120.500 -0.030 0.000 2.080 393 R HA -0.094 4.245 4.340 -0.002 0.000 0.236 393 R C 2.106 178.408 176.300 0.003 0.000 1.137 393 R CA 1.791 57.873 56.100 -0.029 0.000 0.943 393 R CB -0.583 29.677 30.300 -0.065 0.000 0.846 393 R HN 0.521 nan 8.270 nan 0.000 0.431 394 M N -0.289 119.309 119.600 -0.002 0.000 2.296 394 M HA -0.069 4.410 4.480 -0.002 0.000 0.265 394 M C 2.242 178.563 176.300 0.034 0.000 1.064 394 M CA 1.462 56.770 55.300 0.015 0.000 1.109 394 M CB -0.185 32.414 32.600 -0.001 0.000 1.396 394 M HN 0.174 nan 8.290 nan 0.000 0.430 395 A N -0.872 121.973 122.820 0.042 0.000 2.172 395 A HA -0.114 4.205 4.320 -0.002 0.000 0.216 395 A C 1.944 179.606 177.584 0.130 0.000 1.154 395 A CA 0.933 53.010 52.037 0.067 0.000 0.701 395 A CB -0.861 18.173 19.000 0.056 0.000 0.789 395 A HN 0.606 nan 8.150 nan 0.000 0.465 396 C N -0.988 118.399 119.300 0.144 0.000 2.626 396 C HA 0.469 4.928 4.460 -0.002 0.000 0.266 396 C C 1.825 176.952 174.990 0.229 0.000 1.317 396 C CA -0.063 59.109 59.018 0.256 0.000 1.716 396 C CB -1.823 25.958 27.740 0.068 0.000 1.819 396 C HN 0.995 nan 8.230 nan 0.000 0.578 397 G N 1.050 109.925 108.800 0.125 0.000 2.569 397 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.259 397 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.259 397 G C 0.907 175.823 174.900 0.027 0.000 1.263 397 G CA 0.073 45.213 45.100 0.067 0.000 0.928 397 G HN 0.573 nan 8.290 nan 0.000 0.572 398 G N -1.605 107.168 108.800 -0.045 0.000 2.446 398 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.217 398 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.217 398 G C 1.375 176.287 174.900 0.020 0.000 1.168 398 G CA 1.789 46.851 45.100 -0.063 0.000 0.771 398 G HN 0.984 nan 8.290 nan 0.000 0.551 399 H N 0.041 119.141 119.070 0.051 0.000 2.489 399 H HA -0.006 4.548 4.556 -0.002 0.000 0.295 399 H C 2.758 178.025 175.328 -0.102 0.000 1.082 399 H CA 0.211 56.240 56.048 -0.032 0.000 1.295 399 H CB 0.103 29.799 29.762 -0.110 0.000 1.380 399 H HN 0.423 nan 8.280 nan 0.000 0.548 400 G N -0.161 108.661 108.800 0.036 0.000 2.443 400 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.219 400 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.219 400 G C 1.347 176.264 174.900 0.028 0.000 1.131 400 G CA 0.423 45.514 45.100 -0.014 0.000 0.775 400 G HN 0.443 nan 8.290 nan 0.000 0.547 401 Y N 1.562 121.834 120.300 -0.045 0.000 2.373 401 Y HA 0.182 4.731 4.550 -0.002 0.000 0.293 401 Y C 1.921 177.779 175.900 -0.069 0.000 1.129 401 Y CA 0.396 58.466 58.100 -0.050 0.000 1.226 401 Y CB -0.171 38.279 38.460 -0.018 0.000 1.000 401 Y HN 0.166 nan 8.280 nan 0.000 0.549 402 S N -0.300 115.418 115.700 0.030 0.000 2.576 402 S HA -0.022 4.447 4.470 -0.002 0.000 0.276 402 S C 1.088 175.609 174.600 -0.132 0.000 1.339 402 S CA -0.509 57.685 58.200 -0.009 0.000 1.039 402 S CB 0.308 63.562 63.200 0.090 0.000 0.902 402 S HN 0.480 nan 8.310 nan 0.000 0.516 403 H N 2.552 121.642 119.070 0.033 0.000 2.545 403 H HA -0.024 4.531 4.556 -0.002 0.000 0.282 403 H C 2.276 177.455 175.328 -0.249 0.000 1.020 403 H CA 1.491 57.545 56.048 0.010 0.000 1.243 403 H CB -0.342 29.570 29.762 0.250 0.000 1.377 403 H HN 0.752 nan 8.280 nan 0.000 0.581 404 S N 0.069 115.423 115.700 -0.576 0.000 2.447 404 S HA -0.140 4.328 4.470 -0.002 0.000 0.233 404 S C 2.306 176.593 174.600 -0.521 0.000 1.006 404 S CA 0.950 58.519 58.200 -1.053 0.000 0.957 404 S CB -0.289 62.105 63.200 -1.344 0.000 0.773 404 S HN 0.457 nan 8.310 nan 0.000 0.507 405 S N 0.812 116.317 115.700 -0.326 0.000 2.461 405 S HA 0.321 4.790 4.470 -0.002 0.000 0.228 405 S C 1.927 176.423 174.600 -0.174 0.000 1.005 405 S CA 0.866 58.915 58.200 -0.253 0.000 0.942 405 S CB -1.001 62.080 63.200 -0.199 0.000 0.776 405 S HN 1.444 nan 8.310 nan 0.000 0.514 406 G N 1.432 110.157 108.800 -0.125 0.000 2.245 406 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.264 406 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.264 406 G C 0.745 175.623 174.900 -0.037 0.000 0.985 406 G CA 0.511 45.578 45.100 -0.056 0.000 0.625 406 G HN 0.580 nan 8.290 nan 0.000 0.536 407 I N 1.255 121.790 120.570 -0.057 0.000 2.353 407 I HA -0.054 4.115 4.170 -0.002 0.000 0.248 407 I C 0.165 176.280 176.117 -0.004 0.000 1.119 407 I CA 1.276 62.551 61.300 -0.043 0.000 1.417 407 I CB -0.903 37.064 38.000 -0.056 0.000 1.078 407 I HN 0.146 nan 8.210 nan 0.000 0.421 408 P HA -0.162 nan 4.420 nan 0.000 0.216 408 P C 1.213 178.554 177.300 0.068 0.000 1.150 408 P CA 1.520 64.620 63.100 0.001 0.000 0.837 408 P CB -0.074 31.521 31.700 -0.176 0.000 0.786 409 N N -0.658 118.101 118.700 0.098 0.000 2.188 409 N HA -0.102 4.637 4.740 -0.002 0.000 0.184 409 N C 1.583 177.034 175.510 -0.098 0.000 1.018 409 N CA 0.979 54.016 53.050 -0.022 0.000 0.858 409 N CB -0.705 37.736 38.487 -0.076 0.000 0.989 409 N HN 0.003 nan 8.380 nan 0.000 0.426 410 I N -0.551 119.985 120.570 -0.057 0.000 2.179 410 I HA -0.290 3.879 4.170 -0.002 0.000 0.242 410 I C 1.888 178.027 176.117 0.037 0.000 1.088 410 I CA 1.096 62.364 61.300 -0.053 0.000 1.357 410 I CB -0.421 37.535 38.000 -0.074 0.000 1.051 410 I HN 0.235 nan 8.210 nan 0.000 0.409 411 Y N 0.982 121.244 120.300 -0.062 0.000 2.114 411 Y HA -0.242 4.307 4.550 -0.002 0.000 0.284 411 Y C 2.512 178.367 175.900 -0.074 0.000 1.143 411 Y CA 1.575 59.661 58.100 -0.023 0.000 1.135 411 Y CB -0.632 37.797 38.460 -0.052 0.000 0.980 411 Y HN -0.139 nan 8.280 nan 0.000 0.499 412 V N -0.328 119.423 119.914 -0.272 0.000 2.392 412 V HA -0.334 3.785 4.120 -0.002 0.000 0.249 412 V C 2.193 178.145 176.094 -0.235 0.000 1.059 412 V CA 2.632 64.631 62.300 -0.501 0.000 1.051 412 V CB -0.785 30.770 31.823 -0.447 0.000 0.658 412 V HN 0.590 nan 8.190 nan 0.000 0.455 413 T N -0.795 113.687 114.554 -0.119 0.000 2.857 413 T HA -0.114 4.234 4.350 -0.002 0.000 0.266 413 T C 1.549 176.290 174.700 0.068 0.000 1.048 413 T CA 1.688 63.784 62.100 -0.007 0.000 1.139 413 T CB -0.253 68.532 68.868 -0.139 0.000 0.874 413 T HN 0.555 nan 8.240 nan 0.000 0.455 414 F N 1.363 121.236 119.950 -0.128 0.000 2.219 414 F HA 0.024 4.549 4.527 -0.002 0.000 0.294 414 F C 2.659 178.324 175.800 -0.224 0.000 1.086 414 F CA 1.203 59.127 58.000 -0.126 0.000 1.330 414 F CB -0.630 38.297 39.000 -0.122 0.000 1.047 414 F HN 0.015 nan 8.300 nan 0.000 0.495 415 T N 1.157 115.410 114.554 -0.501 0.000 2.751 415 T HA -0.157 4.192 4.350 -0.002 0.000 0.268 415 T C -0.685 173.616 174.700 -0.664 0.000 1.045 415 T CA 1.938 63.685 62.100 -0.589 0.000 1.142 415 T CB -1.150 67.339 68.868 -0.631 0.000 0.851 415 T HN 0.160 nan 8.240 nan 0.000 0.474 416 P HA 0.129 nan 4.420 nan 0.000 0.225 416 P C 1.219 177.544 177.300 -1.625 0.000 1.148 416 P CA 0.868 63.385 63.100 -0.971 0.000 0.779 416 P CB -0.258 30.926 31.700 -0.859 0.000 0.780 417 A N -1.201 120.770 122.820 -1.415 0.000 2.070 417 A HA -0.193 4.126 4.320 -0.002 0.000 0.220 417 A C 2.059 179.181 177.584 -0.770 0.000 1.159 417 A CA 1.363 52.704 52.037 -1.160 0.000 0.656 417 A CB -1.656 16.743 19.000 -1.002 0.000 0.800 417 A HN 0.251 nan 8.150 nan 0.000 0.453 418 C N -1.539 117.353 119.300 -0.679 0.000 2.514 418 C HA 0.081 4.540 4.460 -0.002 0.000 0.271 418 C C 2.607 177.357 174.990 -0.399 0.000 1.399 418 C CA 1.204 59.943 59.018 -0.466 0.000 1.765 418 C CB -1.088 26.505 27.740 -0.246 0.000 1.893 418 C HN 0.647 nan 8.230 nan 0.000 0.531 419 T N 0.940 115.205 114.554 -0.483 0.000 3.045 419 T HA 0.204 4.553 4.350 -0.002 0.000 0.239 419 T C 0.443 174.997 174.700 -0.243 0.000 1.008 419 T CA 0.327 62.221 62.100 -0.342 0.000 1.143 419 T CB -0.092 68.558 68.868 -0.363 0.000 0.894 419 T HN 0.394 nan 8.240 nan 0.000 0.451 420 F N 1.408 121.212 119.950 -0.243 0.000 2.368 420 F HA 0.653 5.179 4.527 -0.002 0.000 0.315 420 F C 0.526 176.243 175.800 -0.139 0.000 1.145 420 F CA -2.152 55.730 58.000 -0.197 0.000 1.095 420 F CB 0.012 38.880 39.000 -0.222 0.000 1.286 420 F HN 0.019 nan 8.300 nan 0.000 0.530 421 E N -0.065 120.284 120.200 0.248 0.000 2.513 421 E HA -0.091 4.258 4.350 -0.002 0.000 0.257 421 E C 0.315 176.955 176.600 0.066 0.000 1.098 421 E CA 1.202 57.676 56.400 0.123 0.000 0.752 421 E CB -1.896 27.904 29.700 0.167 0.000 1.324 421 E HN 1.695 nan 8.360 nan 0.000 0.403 422 G N 0.793 109.619 108.800 0.044 0.000 3.383 422 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.685 422 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.685 422 G C -0.435 174.439 174.900 -0.043 0.000 1.104 422 G CA -0.094 45.012 45.100 0.009 0.000 0.957 422 G HN 0.151 nan 8.290 nan 0.000 0.461 423 E N 2.115 122.293 120.200 -0.036 0.000 2.465 423 E HA 0.023 4.372 4.350 -0.002 0.000 0.260 423 E C 1.567 178.090 176.600 -0.128 0.000 0.980 423 E CA -0.209 56.145 56.400 -0.077 0.000 0.927 423 E CB 0.359 30.048 29.700 -0.018 0.000 0.934 423 E HN 0.423 nan 8.360 nan 0.000 0.459 424 N N 2.857 121.381 118.700 -0.292 0.000 2.060 424 N HA -0.176 4.563 4.740 -0.002 0.000 0.195 424 N C 1.445 176.762 175.510 -0.322 0.000 1.028 424 N CA 2.173 54.872 53.050 -0.584 0.000 0.861 424 N CB -0.451 37.133 38.487 -1.504 0.000 1.029 424 N HN 0.465 nan 8.380 nan 0.000 0.428 425 T N 0.574 115.142 114.554 0.023 0.000 2.746 425 T HA -0.049 4.300 4.350 -0.002 0.000 0.267 425 T C 2.101 176.887 174.700 0.142 0.000 1.039 425 T CA 0.992 63.236 62.100 0.240 0.000 1.142 425 T CB -0.347 68.688 68.868 0.278 0.000 0.866 425 T HN 0.000 nan 8.240 nan 0.000 0.444 426 V N 1.741 121.711 119.914 0.092 0.000 2.343 426 V HA -0.171 3.948 4.120 -0.002 0.000 0.247 426 V C 2.582 178.736 176.094 0.100 0.000 1.051 426 V CA 1.324 63.688 62.300 0.106 0.000 1.036 426 V CB -0.578 31.295 31.823 0.084 0.000 0.654 426 V HN 0.444 nan 8.190 nan 0.000 0.451 427 M N -1.373 118.251 119.600 0.040 0.000 2.132 427 M HA -0.112 4.367 4.480 -0.002 0.000 0.263 427 M C 2.230 178.584 176.300 0.090 0.000 1.065 427 M CA 1.671 56.994 55.300 0.038 0.000 1.122 427 M CB -0.892 31.684 32.600 -0.040 0.000 1.365 427 M HN 0.293 nan 8.290 nan 0.000 0.411 428 M N -0.170 119.490 119.600 0.101 0.000 2.159 428 M HA -0.101 4.378 4.480 -0.002 0.000 0.263 428 M C 2.047 178.472 176.300 0.209 0.000 1.063 428 M CA 1.164 56.569 55.300 0.176 0.000 1.110 428 M CB -1.083 31.664 32.600 0.246 0.000 1.374 428 M HN 0.183 nan 8.290 nan 0.000 0.411 429 L N -0.137 121.219 121.223 0.221 0.000 2.217 429 L HA -0.149 4.190 4.340 -0.002 0.000 0.211 429 L C 2.379 179.475 176.870 0.376 0.000 1.107 429 L CA 1.494 56.525 54.840 0.319 0.000 0.783 429 L CB -1.355 40.921 42.059 0.362 0.000 0.919 429 L HN 0.470 nan 8.230 nan 0.000 0.442 430 Q N -0.600 119.351 119.800 0.251 0.000 2.079 430 Q HA -0.166 4.173 4.340 -0.002 0.000 0.200 430 Q C 1.907 178.049 176.000 0.236 0.000 0.974 430 Q CA 2.047 57.974 55.803 0.206 0.000 0.840 430 Q CB 0.207 29.029 28.738 0.141 0.000 0.898 430 Q HN 0.382 nan 8.270 nan 0.000 0.430 431 T N 0.570 115.261 114.554 0.228 0.000 2.788 431 T HA -0.097 4.252 4.350 -0.002 0.000 0.268 431 T C 1.731 176.615 174.700 0.306 0.000 1.044 431 T CA 1.125 63.375 62.100 0.250 0.000 1.139 431 T CB -0.272 68.734 68.868 0.230 0.000 0.867 431 T HN 0.444 nan 8.240 nan 0.000 0.454 432 A N 1.948 124.953 122.820 0.308 0.000 1.930 432 A HA -0.093 4.226 4.320 -0.002 0.000 0.217 432 A C 2.379 180.233 177.584 0.449 0.000 1.175 432 A CA 1.032 53.258 52.037 0.315 0.000 0.627 432 A CB -0.381 18.761 19.000 0.237 0.000 0.815 432 A HN 0.394 nan 8.150 nan 0.000 0.443 433 R N -1.753 119.048 120.500 0.502 0.000 2.081 433 R HA -0.125 4.214 4.340 -0.002 0.000 0.235 433 R C 2.017 178.445 176.300 0.213 0.000 1.131 433 R CA 1.547 57.830 56.100 0.305 0.000 0.960 433 R CB -0.663 29.656 30.300 0.032 0.000 0.856 433 R HN 0.604 nan 8.270 nan 0.000 0.436 434 F N 1.979 121.992 119.950 0.106 0.000 2.102 434 F HA -0.126 4.400 4.527 -0.002 0.000 0.298 434 F C 2.026 177.859 175.800 0.054 0.000 1.105 434 F CA 1.318 59.355 58.000 0.062 0.000 1.239 434 F CB -0.310 38.724 39.000 0.056 0.000 0.991 434 F HN -0.136 nan 8.300 nan 0.000 0.474 435 L N -0.453 120.785 121.223 0.024 0.000 2.079 435 L HA -0.269 4.069 4.340 -0.002 0.000 0.210 435 L C 2.480 179.315 176.870 -0.060 0.000 1.081 435 L CA 1.015 55.798 54.840 -0.094 0.000 0.752 435 L CB -0.645 41.437 42.059 0.039 0.000 0.896 435 L HN 0.220 nan 8.230 nan 0.000 0.433 436 M N -0.838 118.791 119.600 0.048 0.000 2.229 436 M HA -0.133 4.346 4.480 -0.002 0.000 0.264 436 M C 2.212 178.548 176.300 0.060 0.000 1.063 436 M CA 1.404 56.760 55.300 0.094 0.000 1.114 436 M CB -0.848 31.877 32.600 0.209 0.000 1.387 436 M HN 0.104 nan 8.290 nan 0.000 0.420 437 K N 0.551 120.920 120.400 -0.051 0.000 2.025 437 K HA -0.041 4.278 4.320 -0.002 0.000 0.207 437 K C 1.948 178.452 176.600 -0.161 0.000 1.049 437 K CA 1.060 57.286 56.287 -0.102 0.000 0.933 437 K CB -0.311 32.099 32.500 -0.150 0.000 0.714 437 K HN 0.246 nan 8.250 nan 0.000 0.438 438 I N 0.266 120.641 120.570 -0.324 0.000 2.226 438 I HA -0.277 3.891 4.170 -0.002 0.000 0.245 438 I C 2.340 178.367 176.117 -0.152 0.000 1.100 438 I CA 1.081 62.194 61.300 -0.311 0.000 1.374 438 I CB -1.150 36.556 38.000 -0.490 0.000 1.057 438 I HN 0.141 nan 8.210 nan 0.000 0.413 439 Y N 2.437 122.626 120.300 -0.185 0.000 2.128 439 Y HA -0.297 4.251 4.550 -0.002 0.000 0.284 439 Y C 2.302 178.154 175.900 -0.080 0.000 1.154 439 Y CA 2.000 60.033 58.100 -0.112 0.000 1.149 439 Y CB -0.193 38.226 38.460 -0.069 0.000 0.976 439 Y HN 0.203 nan 8.280 nan 0.000 0.505 440 D N -0.188 120.267 120.400 0.092 0.000 2.144 440 D HA -0.182 4.457 4.640 -0.002 0.000 0.199 440 D C 2.080 178.336 176.300 -0.074 0.000 0.984 440 D CA 1.447 55.462 54.000 0.027 0.000 0.834 440 D CB -0.320 40.519 40.800 0.065 0.000 0.955 440 D HN 0.576 nan 8.370 nan 0.000 0.465 441 Q N 0.163 119.908 119.800 -0.092 0.000 2.050 441 Q HA -0.086 4.253 4.340 -0.002 0.000 0.202 441 Q C 2.405 178.333 176.000 -0.120 0.000 0.980 441 Q CA 0.888 56.634 55.803 -0.094 0.000 0.840 441 Q CB 0.021 28.701 28.738 -0.096 0.000 0.898 441 Q HN 0.160 nan 8.270 nan 0.000 0.424 442 V N 0.772 120.583 119.914 -0.171 0.000 2.343 442 V HA -0.249 3.870 4.120 -0.002 0.000 0.247 442 V C 2.210 178.179 176.094 -0.207 0.000 1.051 442 V CA 1.757 63.944 62.300 -0.189 0.000 1.036 442 V CB -0.466 31.212 31.823 -0.242 0.000 0.654 442 V HN 0.195 nan 8.190 nan 0.000 0.451 443 R N 0.612 120.944 120.500 -0.279 0.000 2.120 443 R HA -0.079 4.260 4.340 -0.002 0.000 0.234 443 R C 2.324 178.550 176.300 -0.123 0.000 1.123 443 R CA 1.594 57.551 56.100 -0.238 0.000 0.975 443 R CB -0.622 29.525 30.300 -0.255 0.000 0.866 443 R HN 0.519 nan 8.270 nan 0.000 0.446 444 S N -1.696 113.945 115.700 -0.098 0.000 2.527 444 S HA 0.192 4.661 4.470 -0.002 0.000 0.222 444 S C 1.087 175.654 174.600 -0.055 0.000 0.985 444 S CA 0.774 58.938 58.200 -0.061 0.000 0.921 444 S CB 0.716 63.887 63.200 -0.047 0.000 0.772 444 S HN 0.630 nan 8.310 nan 0.000 0.529 445 G N 1.330 110.089 108.800 -0.068 0.000 2.175 445 G HA2 -0.183 3.775 3.960 -0.002 0.000 0.182 445 G HA3 -0.183 3.775 3.960 -0.002 0.000 0.182 445 G C -0.070 174.801 174.900 -0.048 0.000 1.003 445 G CA -0.318 44.750 45.100 -0.054 0.000 0.666 445 G HN 0.431 nan 8.290 nan 0.000 0.506 446 K N 0.659 121.025 120.400 -0.056 0.000 2.118 446 K HA 0.641 4.960 4.320 -0.002 0.000 0.267 446 K C -0.041 176.530 176.600 -0.050 0.000 0.991 446 K CA -0.875 55.384 56.287 -0.046 0.000 0.916 446 K CB 0.463 32.936 32.500 -0.045 0.000 1.041 446 K HN -0.023 nan 8.250 nan 0.000 0.455 447 L N 5.694 126.898 121.223 -0.032 0.000 2.257 447 L HA 0.239 4.578 4.340 -0.002 0.000 0.290 447 L C -0.058 176.800 176.870 -0.019 0.000 1.044 447 L CA -0.394 54.431 54.840 -0.026 0.000 0.810 447 L CB 0.956 43.009 42.059 -0.010 0.000 1.193 447 L HN 0.526 nan 8.230 nan 0.000 0.425 448 V N 1.792 121.688 119.914 -0.029 0.000 2.837 448 V HA 1.020 5.139 4.120 -0.002 0.000 0.310 448 V C 0.329 176.433 176.094 0.016 0.000 1.059 448 V CA -0.328 61.962 62.300 -0.016 0.000 1.004 448 V CB 1.441 33.230 31.823 -0.057 0.000 1.045 448 V HN 0.743 nan 8.190 nan 0.000 0.465 449 G N 0.040 108.870 108.800 0.050 0.000 3.217 449 G HA2 0.786 4.745 3.960 -0.002 0.000 0.213 449 G HA3 0.786 4.745 3.960 -0.002 0.000 0.213 449 G C 0.362 175.337 174.900 0.124 0.000 1.294 449 G CA -0.167 44.982 45.100 0.081 0.000 0.987 449 G HN 2.118 nan 8.290 nan 0.000 0.584 450 G N -1.143 107.745 108.800 0.145 0.000 2.645 450 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.246 450 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.246 450 G C 1.008 176.053 174.900 0.243 0.000 1.322 450 G CA 0.344 45.558 45.100 0.190 0.000 0.898 450 G HN 0.658 nan 8.290 nan 0.000 0.573 451 M N 0.665 120.451 119.600 0.311 0.000 2.632 451 M HA -0.015 4.464 4.480 -0.002 0.000 0.256 451 M C 2.449 179.090 176.300 0.569 0.000 1.080 451 M CA 1.795 57.357 55.300 0.436 0.000 1.084 451 M CB -0.941 31.920 32.600 0.435 0.000 1.439 451 M HN 1.063 nan 8.290 nan 0.000 0.509 452 V N -4.284 115.813 119.914 0.305 0.000 3.542 452 V HA 0.158 4.277 4.120 -0.002 0.000 0.296 452 V C 1.834 177.798 176.094 -0.217 0.000 1.364 452 V CA 0.174 62.434 62.300 -0.068 0.000 1.118 452 V CB -0.748 31.024 31.823 -0.085 0.000 0.972 452 V HN 0.149 nan 8.190 nan 0.000 0.430 453 S N 1.860 117.588 115.700 0.047 0.000 2.392 453 S HA -0.256 4.213 4.470 -0.002 0.000 0.232 453 S C 1.715 176.331 174.600 0.027 0.000 1.041 453 S CA 2.386 60.617 58.200 0.052 0.000 1.026 453 S CB -0.699 62.585 63.200 0.140 0.000 0.845 453 S HN 1.018 nan 8.310 nan 0.000 0.465 454 Y N 0.742 121.093 120.300 0.086 0.000 2.384 454 Y HA -0.019 4.530 4.550 -0.002 0.000 0.289 454 Y C 1.682 177.593 175.900 0.018 0.000 1.152 454 Y CA 0.351 58.468 58.100 0.029 0.000 1.258 454 Y CB -0.699 37.738 38.460 -0.039 0.000 0.979 454 Y HN 0.072 nan 8.280 nan 0.000 0.549 455 L N 1.562 122.567 121.223 -0.363 0.000 2.362 455 L HA -0.150 4.189 4.340 -0.002 0.000 0.219 455 L C 1.635 178.442 176.870 -0.106 0.000 1.134 455 L CA 0.923 55.629 54.840 -0.223 0.000 0.807 455 L CB -1.430 40.439 42.059 -0.317 0.000 0.927 455 L HN 0.461 nan 8.230 nan 0.000 0.447 456 N N 0.064 118.720 118.700 -0.073 0.000 2.381 456 N HA -0.145 4.593 4.740 -0.002 0.000 0.182 456 N C 0.837 176.335 175.510 -0.021 0.000 1.025 456 N CA 0.935 53.955 53.050 -0.049 0.000 0.888 456 N CB 0.007 38.480 38.487 -0.022 0.000 0.965 456 N HN 0.388 nan 8.380 nan 0.000 0.438 457 D N 0.277 120.687 120.400 0.017 0.000 2.349 457 D HA 0.118 4.757 4.640 -0.002 0.000 0.224 457 D C 0.408 176.724 176.300 0.026 0.000 1.029 457 D CA 0.027 54.046 54.000 0.032 0.000 0.879 457 D CB 0.200 41.038 40.800 0.063 0.000 0.906 457 D HN 0.168 nan 8.370 nan 0.000 0.528 458 L N 0.877 122.105 121.223 0.009 0.000 2.476 458 L HA 0.243 4.582 4.340 -0.002 0.000 0.264 458 L C -1.499 175.365 176.870 -0.009 0.000 1.224 458 L CA -1.587 53.261 54.840 0.013 0.000 0.821 458 L CB -0.107 41.944 42.059 -0.013 0.000 1.101 458 L HN -0.123 nan 8.230 nan 0.000 0.488 459 P HA 0.241 nan 4.420 nan 0.000 0.274 459 P C -1.117 176.208 177.300 0.042 0.000 1.246 459 P CA -0.431 62.693 63.100 0.040 0.000 0.795 459 P CB 1.149 32.871 31.700 0.037 0.000 1.006 476 D N 0.649 121.059 120.400 0.018 0.000 2.469 476 D HA 0.503 5.141 4.640 -0.002 0.000 0.251 476 D C 0.800 177.102 176.300 0.004 0.000 1.173 476 D CA -0.579 53.427 54.000 0.009 0.000 0.882 476 D CB 1.312 42.118 40.800 0.010 0.000 1.129 476 D HN 0.569 nan 8.370 nan 0.000 0.549 477 I N 2.821 123.387 120.570 -0.007 0.000 3.083 477 I HA -0.120 4.048 4.170 -0.002 0.000 0.273 477 I C 1.396 177.506 176.117 -0.011 0.000 1.297 477 I CA 0.458 61.747 61.300 -0.018 0.000 1.452 477 I CB -0.623 37.357 38.000 -0.033 0.000 1.078 477 I HN 0.426 nan 8.210 nan 0.000 0.484 478 N N 0.676 119.372 118.700 -0.006 0.000 2.395 478 N HA -0.024 4.715 4.740 -0.002 0.000 0.175 478 N C 0.883 176.388 175.510 -0.009 0.000 1.029 478 N CA 0.355 53.401 53.050 -0.007 0.000 0.897 478 N CB 0.392 38.875 38.487 -0.006 0.000 0.991 478 N HN 0.360 nan 8.380 nan 0.000 0.441 479 S N -0.549 115.147 115.700 -0.006 0.000 2.621 479 S HA 0.426 4.895 4.470 -0.002 0.000 0.302 479 S C 1.092 175.687 174.600 -0.009 0.000 1.093 479 S CA -0.789 57.405 58.200 -0.010 0.000 1.017 479 S CB 1.846 65.042 63.200 -0.005 0.000 1.077 479 S HN -0.001 nan 8.310 nan 0.000 0.517 480 L N 0.686 121.895 121.223 -0.024 0.000 2.201 480 L HA -0.079 4.260 4.340 -0.002 0.000 0.212 480 L C 2.186 179.054 176.870 -0.002 0.000 1.105 480 L CA 1.266 56.088 54.840 -0.030 0.000 0.775 480 L CB -0.470 41.547 42.059 -0.070 0.000 0.913 480 L HN 0.731 nan 8.230 nan 0.000 0.440 481 E N -0.185 120.018 120.200 0.005 0.000 2.072 481 E HA -0.120 4.229 4.350 -0.002 0.000 0.190 481 E C 2.176 178.803 176.600 0.046 0.000 0.982 481 E CA 1.138 57.554 56.400 0.026 0.000 0.803 481 E CB -0.542 29.171 29.700 0.021 0.000 0.755 481 E HN 0.404 nan 8.360 nan 0.000 0.453 482 G N 0.634 109.455 108.800 0.036 0.000 2.408 482 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.217 482 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.217 482 G C 1.527 176.468 174.900 0.068 0.000 1.150 482 G CA 0.498 45.624 45.100 0.044 0.000 0.776 482 G HN 0.143 nan 8.290 nan 0.000 0.542 483 L N 0.402 121.666 121.223 0.068 0.000 2.093 483 L HA -0.059 4.280 4.340 -0.002 0.000 0.208 483 L C 3.144 180.149 176.870 0.225 0.000 1.085 483 L CA 1.396 56.309 54.840 0.121 0.000 0.755 483 L CB -0.717 41.389 42.059 0.080 0.000 0.904 483 L HN 0.141 nan 8.230 nan 0.000 0.435 484 T N -0.964 113.680 114.554 0.150 0.000 2.746 484 T HA -0.220 4.129 4.350 -0.002 0.000 0.267 484 T C 1.782 176.644 174.700 0.270 0.000 1.039 484 T CA 1.585 63.805 62.100 0.200 0.000 1.142 484 T CB -0.093 68.852 68.868 0.129 0.000 0.866 484 T HN 0.246 nan 8.240 nan 0.000 0.444 485 E N 1.371 121.674 120.200 0.171 0.000 2.153 485 E HA -0.019 4.330 4.350 -0.002 0.000 0.194 485 E C 2.142 178.802 176.600 0.099 0.000 0.988 485 E CA 1.225 57.691 56.400 0.109 0.000 0.811 485 E CB -0.460 29.286 29.700 0.077 0.000 0.746 485 E HN 0.441 nan 8.360 nan 0.000 0.466 486 A N -0.500 122.419 122.820 0.165 0.000 1.898 486 A HA -0.154 4.165 4.320 -0.002 0.000 0.216 486 A C 1.985 179.726 177.584 0.262 0.000 1.181 486 A CA 1.449 53.605 52.037 0.199 0.000 0.620 486 A CB -0.951 18.143 19.000 0.157 0.000 0.819 486 A HN 0.429 nan 8.150 nan 0.000 0.442 487 Y N -0.027 120.392 120.300 0.197 0.000 2.293 487 Y HA -0.137 4.412 4.550 -0.002 0.000 0.291 487 Y C 2.423 178.227 175.900 -0.159 0.000 1.137 487 Y CA 1.812 60.008 58.100 0.159 0.000 1.202 487 Y CB -0.076 38.514 38.460 0.216 0.000 0.990 487 Y HN 0.305 nan 8.280 nan 0.000 0.537 488 K N 0.371 120.642 120.400 -0.215 0.000 2.025 488 K HA -0.151 4.167 4.320 -0.002 0.000 0.207 488 K C 1.834 178.054 176.600 -0.633 0.000 1.049 488 K CA 1.344 57.066 56.287 -0.941 0.000 0.933 488 K CB -0.347 31.720 32.500 -0.721 0.000 0.714 488 K HN 0.299 nan 8.250 nan 0.000 0.438 489 L N 0.694 121.748 121.223 -0.282 0.000 2.141 489 L HA -0.122 4.217 4.340 -0.002 0.000 0.209 489 L C 2.828 179.574 176.870 -0.207 0.000 1.094 489 L CA 0.771 55.505 54.840 -0.176 0.000 0.763 489 L CB -0.471 41.547 42.059 -0.069 0.000 0.908 489 L HN 0.211 nan 8.230 nan 0.000 0.437 490 R N 0.912 121.242 120.500 -0.284 0.000 2.075 490 R HA -0.139 4.200 4.340 -0.002 0.000 0.232 490 R C 2.203 178.336 176.300 -0.278 0.000 1.126 490 R CA 1.652 57.491 56.100 -0.435 0.000 0.963 490 R CB -0.281 29.485 30.300 -0.891 0.000 0.858 490 R HN 0.335 nan 8.270 nan 0.000 0.435 491 A N 0.679 123.346 122.820 -0.254 0.000 1.898 491 A HA -0.054 4.265 4.320 -0.002 0.000 0.216 491 A C 2.389 179.992 177.584 0.031 0.000 1.181 491 A CA 1.724 53.694 52.037 -0.111 0.000 0.620 491 A CB -0.678 18.200 19.000 -0.204 0.000 0.819 491 A HN 0.469 nan 8.150 nan 0.000 0.442 492 A N -0.183 122.625 122.820 -0.021 0.000 1.902 492 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 492 A C 2.188 179.833 177.584 0.102 0.000 1.181 492 A CA 2.181 54.347 52.037 0.215 0.000 0.623 492 A CB -0.440 18.674 19.000 0.191 0.000 0.818 492 A HN 0.452 nan 8.150 nan 0.000 0.443 493 R N -0.373 120.125 120.500 -0.003 0.000 2.073 493 R HA -0.035 4.304 4.340 -0.002 0.000 0.234 493 R C 1.645 177.928 176.300 -0.028 0.000 1.134 493 R CA 1.644 57.728 56.100 -0.027 0.000 0.952 493 R CB -0.967 29.281 30.300 -0.087 0.000 0.850 493 R HN 0.381 nan 8.270 nan 0.000 0.433 494 L N -0.299 120.899 121.223 -0.041 0.000 2.217 494 L HA -0.014 4.324 4.340 -0.002 0.000 0.211 494 L C 2.214 179.077 176.870 -0.010 0.000 1.107 494 L CA 0.876 55.696 54.840 -0.033 0.000 0.783 494 L CB -0.367 41.672 42.059 -0.033 0.000 0.919 494 L HN -0.003 nan 8.230 nan 0.000 0.442 495 V N -0.683 119.253 119.914 0.036 0.000 2.379 495 V HA -0.251 3.868 4.120 -0.002 0.000 0.245 495 V C 2.509 178.554 176.094 -0.082 0.000 1.044 495 V CA 1.663 63.977 62.300 0.023 0.000 1.036 495 V CB -0.364 31.537 31.823 0.130 0.000 0.664 495 V HN 0.529 nan 8.190 nan 0.000 0.453 496 E N 0.147 120.341 120.200 -0.010 0.000 2.077 496 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 496 E C 2.235 178.768 176.600 -0.111 0.000 0.989 496 E CA 1.583 57.964 56.400 -0.032 0.000 0.800 496 E CB -0.124 29.627 29.700 0.084 0.000 0.746 496 E HN 0.599 nan 8.360 nan 0.000 0.452 497 I N 0.906 121.431 120.570 -0.076 0.000 2.226 497 I HA -0.263 3.906 4.170 -0.002 0.000 0.245 497 I C 2.601 178.650 176.117 -0.112 0.000 1.100 497 I CA 1.046 62.297 61.300 -0.080 0.000 1.374 497 I CB -0.334 37.628 38.000 -0.063 0.000 1.057 497 I HN 0.176 nan 8.210 nan 0.000 0.413 498 A N 0.666 123.409 122.820 -0.127 0.000 1.902 498 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 498 A C 2.534 180.002 177.584 -0.192 0.000 1.181 498 A CA 1.794 53.744 52.037 -0.145 0.000 0.623 498 A CB -0.784 18.136 19.000 -0.133 0.000 0.818 498 A HN 0.430 nan 8.150 nan 0.000 0.443 499 A N -0.066 122.565 122.820 -0.315 0.000 1.898 499 A HA -0.136 4.183 4.320 -0.002 0.000 0.216 499 A C 2.077 179.509 177.584 -0.253 0.000 1.181 499 A CA 2.335 54.105 52.037 -0.444 0.000 0.620 499 A CB -0.415 17.841 19.000 -1.240 0.000 0.819 499 A HN 0.467 nan 8.150 nan 0.000 0.442 500 K N 0.497 120.778 120.400 -0.199 0.000 2.026 500 K HA -0.135 4.184 4.320 -0.002 0.000 0.208 500 K C 1.641 178.182 176.600 -0.098 0.000 1.048 500 K CA 2.012 58.240 56.287 -0.097 0.000 0.929 500 K CB -0.369 32.091 32.500 -0.066 0.000 0.713 500 K HN 0.426 nan 8.250 nan 0.000 0.439 501 N N 0.510 119.139 118.700 -0.118 0.000 2.142 501 N HA -0.138 4.600 4.740 -0.002 0.000 0.186 501 N C 1.573 177.010 175.510 -0.121 0.000 1.023 501 N CA 1.205 54.161 53.050 -0.156 0.000 0.852 501 N CB -0.424 37.995 38.487 -0.114 0.000 0.998 501 N HN 0.194 nan 8.380 nan 0.000 0.424 502 L N 1.574 122.777 121.223 -0.033 0.000 2.042 502 L HA -0.159 4.180 4.340 -0.002 0.000 0.210 502 L C 2.305 179.219 176.870 0.074 0.000 1.076 502 L CA 1.737 56.616 54.840 0.065 0.000 0.749 502 L CB -0.791 41.289 42.059 0.034 0.000 0.893 502 L HN 0.221 nan 8.230 nan 0.000 0.432 503 Q N -1.342 118.469 119.800 0.018 0.000 2.084 503 Q HA -0.207 4.131 4.340 -0.002 0.000 0.202 503 Q C 1.951 177.975 176.000 0.039 0.000 0.978 503 Q CA 2.336 58.161 55.803 0.038 0.000 0.844 503 Q CB -0.130 28.624 28.738 0.027 0.000 0.898 503 Q HN 0.577 nan 8.270 nan 0.000 0.426 504 T N -0.311 114.232 114.554 -0.019 0.000 2.720 504 T HA -0.189 4.160 4.350 -0.002 0.000 0.268 504 T C 1.250 175.994 174.700 0.073 0.000 1.037 504 T CA 1.837 63.933 62.100 -0.006 0.000 1.144 504 T CB -0.387 68.382 68.868 -0.164 0.000 0.864 504 T HN 0.530 nan 8.240 nan 0.000 0.444 505 H N -0.297 118.826 119.070 0.088 0.000 2.389 505 H HA 0.026 4.581 4.556 -0.002 0.000 0.299 505 H C 2.327 177.715 175.328 0.099 0.000 1.081 505 H CA 0.910 57.010 56.048 0.086 0.000 1.345 505 H CB -0.050 29.737 29.762 0.043 0.000 1.393 505 H HN 0.113 nan 8.280 nan 0.000 0.520 506 V N -0.268 119.767 119.914 0.201 0.000 2.358 506 V HA -0.265 3.853 4.120 -0.002 0.000 0.246 506 V C 2.487 178.637 176.094 0.093 0.000 1.047 506 V CA 1.894 64.274 62.300 0.134 0.000 1.035 506 V CB -0.475 31.412 31.823 0.107 0.000 0.658 506 V HN 0.406 nan 8.190 nan 0.000 0.452 507 S N -0.712 115.033 115.700 0.075 0.000 2.368 507 S HA -0.250 4.218 4.470 -0.002 0.000 0.225 507 S C 1.922 176.469 174.600 -0.088 0.000 1.030 507 S CA 2.095 60.283 58.200 -0.019 0.000 0.999 507 S CB -0.289 62.877 63.200 -0.056 0.000 0.844 507 S HN 0.792 nan 8.310 nan 0.000 0.459 508 H N -0.200 118.896 119.070 0.044 0.000 2.497 508 H HA 0.332 4.887 4.556 -0.002 0.000 0.282 508 H C 2.040 177.399 175.328 0.052 0.000 1.003 508 H CA 0.799 56.873 56.048 0.045 0.000 1.307 508 H CB 0.244 30.035 29.762 0.049 0.000 1.437 508 H HN 0.269 nan 8.280 nan 0.000 0.544 509 R N -0.352 120.252 120.500 0.174 0.000 2.437 509 R HA 0.138 4.477 4.340 -0.002 0.000 0.257 509 R C 0.829 177.175 176.300 0.077 0.000 0.927 509 R CA 0.279 56.449 56.100 0.116 0.000 1.078 509 R CB 0.763 31.131 30.300 0.114 0.000 1.161 509 R HN 0.120 nan 8.270 nan 0.000 0.529 510 K N 0.131 120.573 120.400 0.069 0.000 9.641 510 K HA -0.256 4.063 4.320 -0.002 0.000 0.509 510 K C 0.256 176.888 176.600 0.053 0.000 0.371 510 K CA 1.936 58.252 56.287 0.048 0.000 1.955 510 K CB -1.509 31.011 32.500 0.033 0.000 0.718 510 K HN 0.156 nan 8.250 nan 0.000 1.078 511 S N 1.437 117.169 115.700 0.053 0.000 2.509 511 S HA 0.089 4.558 4.470 -0.002 0.000 0.287 511 S C 0.800 175.443 174.600 0.073 0.000 1.248 511 S CA 0.466 58.697 58.200 0.051 0.000 1.089 511 S CB 0.760 63.986 63.200 0.043 0.000 0.900 511 S HN 0.335 nan 8.310 nan 0.000 0.496 512 K N 3.698 124.140 120.400 0.071 0.000 2.148 512 K HA -0.089 4.230 4.320 -0.002 0.000 0.204 512 K C 1.853 178.532 176.600 0.133 0.000 1.050 512 K CA 1.426 57.774 56.287 0.102 0.000 0.942 512 K CB 0.020 32.562 32.500 0.070 0.000 0.724 512 K HN 0.691 nan 8.250 nan 0.000 0.446 513 E N 0.405 120.658 120.200 0.088 0.000 2.072 513 E HA -0.142 4.207 4.350 -0.002 0.000 0.191 513 E C 1.970 178.651 176.600 0.136 0.000 0.985 513 E CA 1.040 57.499 56.400 0.098 0.000 0.801 513 E CB 0.096 29.822 29.700 0.044 0.000 0.750 513 E HN 0.011 nan 8.360 nan 0.000 0.452 514 V N 1.124 121.091 119.914 0.087 0.000 2.379 514 V HA -0.224 3.895 4.120 -0.002 0.000 0.245 514 V C 2.258 178.376 176.094 0.039 0.000 1.044 514 V CA 1.671 64.002 62.300 0.051 0.000 1.036 514 V CB -0.607 31.232 31.823 0.026 0.000 0.664 514 V HN 0.316 nan 8.190 nan 0.000 0.453 515 A N -0.226 122.647 122.820 0.087 0.000 1.908 515 A HA -0.283 4.036 4.320 -0.002 0.000 0.218 515 A C 2.159 179.814 177.584 0.119 0.000 1.181 515 A CA 1.936 54.034 52.037 0.102 0.000 0.627 515 A CB -0.868 18.241 19.000 0.183 0.000 0.818 515 A HN 0.756 nan 8.150 nan 0.000 0.445 516 W N 1.155 122.459 121.300 0.007 0.000 2.335 516 W HA -0.263 4.396 4.660 -0.002 0.000 0.311 516 W C 1.974 178.490 176.519 -0.006 0.000 1.213 516 W CA 2.221 59.573 57.345 0.013 0.000 1.274 516 W CB -0.391 29.079 29.460 0.017 0.000 1.148 516 W HN 0.531 nan 8.180 nan 0.000 0.498 517 N N 0.712 119.470 118.700 0.095 0.000 2.120 517 N HA -0.206 4.533 4.740 -0.002 0.000 0.188 517 N C 1.920 177.350 175.510 -0.133 0.000 1.024 517 N CA 2.182 55.220 53.050 -0.020 0.000 0.852 517 N CB -0.933 37.572 38.487 0.030 0.000 1.003 517 N HN 0.191 nan 8.380 nan 0.000 0.424 518 L N -0.548 120.561 121.223 -0.191 0.000 2.456 518 L HA -0.019 4.319 4.340 -0.002 0.000 0.224 518 L C 1.022 177.757 176.870 -0.225 0.000 1.148 518 L CA 1.356 55.996 54.840 -0.333 0.000 0.825 518 L CB -0.525 41.075 42.059 -0.765 0.000 0.937 518 L HN 0.415 nan 8.230 nan 0.000 0.450 519 T N -5.949 108.508 114.554 -0.162 0.000 3.084 519 T HA 0.062 4.411 4.350 -0.002 0.000 0.270 519 T C 1.672 176.210 174.700 -0.270 0.000 1.008 519 T CA 0.345 62.379 62.100 -0.110 0.000 0.900 519 T CB 0.275 69.119 68.868 -0.040 0.000 1.084 519 T HN 0.263 nan 8.240 nan 0.000 0.538 520 S N 1.442 116.947 115.700 -0.325 0.000 2.383 520 S HA -0.112 4.357 4.470 -0.002 0.000 0.229 520 S C 1.876 176.362 174.600 -0.190 0.000 1.030 520 S CA 0.878 58.862 58.200 -0.361 0.000 1.002 520 S CB -1.037 62.010 63.200 -0.255 0.000 0.829 520 S HN 0.313 nan 8.310 nan 0.000 0.467 521 V N 2.736 122.578 119.914 -0.119 0.000 2.358 521 V HA -0.146 3.973 4.120 -0.002 0.000 0.246 521 V C 2.438 178.494 176.094 -0.063 0.000 1.047 521 V CA 2.137 64.398 62.300 -0.065 0.000 1.035 521 V CB -0.765 31.029 31.823 -0.047 0.000 0.658 521 V HN 0.451 nan 8.190 nan 0.000 0.452 522 D N -0.058 120.291 120.400 -0.085 0.000 2.144 522 D HA -0.092 4.547 4.640 -0.002 0.000 0.200 522 D C 2.164 178.411 176.300 -0.088 0.000 0.978 522 D CA 1.068 55.022 54.000 -0.076 0.000 0.833 522 D CB -0.149 40.602 40.800 -0.082 0.000 0.961 522 D HN 0.330 nan 8.370 nan 0.000 0.470 523 L N 0.473 121.598 121.223 -0.163 0.000 2.017 523 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 523 L C 2.620 179.467 176.870 -0.039 0.000 1.073 523 L CA 0.746 55.482 54.840 -0.174 0.000 0.745 523 L CB -0.510 41.287 42.059 -0.438 0.000 0.894 523 L HN -0.039 nan 8.230 nan 0.000 0.432 524 V N -0.072 119.834 119.914 -0.012 0.000 2.392 524 V HA -0.290 3.829 4.120 -0.002 0.000 0.249 524 V C 2.680 178.850 176.094 0.128 0.000 1.059 524 V CA 1.765 64.124 62.300 0.098 0.000 1.051 524 V CB -0.390 31.508 31.823 0.125 0.000 0.658 524 V HN 0.406 nan 8.190 nan 0.000 0.455 525 R N -0.252 120.292 120.500 0.073 0.000 2.096 525 R HA -0.074 4.265 4.340 -0.002 0.000 0.235 525 R C 2.400 178.761 176.300 0.102 0.000 1.127 525 R CA 1.409 57.559 56.100 0.083 0.000 0.968 525 R CB -0.580 29.738 30.300 0.030 0.000 0.861 525 R HN 0.653 nan 8.270 nan 0.000 0.440 526 A N 0.374 123.241 122.820 0.078 0.000 1.898 526 A HA -0.118 4.201 4.320 -0.002 0.000 0.216 526 A C 2.215 179.910 177.584 0.185 0.000 1.181 526 A CA 1.583 53.680 52.037 0.101 0.000 0.620 526 A CB -0.347 18.686 19.000 0.055 0.000 0.819 526 A HN 0.210 nan 8.150 nan 0.000 0.442 527 S N -0.661 115.155 115.700 0.194 0.000 2.368 527 S HA -0.175 4.294 4.470 -0.002 0.000 0.225 527 S C 1.948 176.716 174.600 0.280 0.000 1.030 527 S CA 1.385 59.739 58.200 0.258 0.000 0.999 527 S CB -0.267 63.077 63.200 0.240 0.000 0.844 527 S HN 0.741 nan 8.310 nan 0.000 0.459 528 E N 1.249 121.614 120.200 0.276 0.000 2.051 528 E HA -0.155 4.194 4.350 -0.002 0.000 0.192 528 E C 2.144 178.894 176.600 0.249 0.000 0.991 528 E CA 1.043 57.642 56.400 0.331 0.000 0.799 528 E CB -0.246 29.681 29.700 0.379 0.000 0.748 528 E HN 0.478 nan 8.360 nan 0.000 0.449 529 A N 0.294 123.258 122.820 0.240 0.000 1.933 529 A HA -0.226 4.093 4.320 -0.002 0.000 0.218 529 A C 1.962 179.690 177.584 0.240 0.000 1.175 529 A CA 1.901 54.070 52.037 0.220 0.000 0.628 529 A CB -0.886 18.178 19.000 0.107 0.000 0.814 529 A HN 0.512 nan 8.150 nan 0.000 0.444 530 H N -0.594 118.589 119.070 0.188 0.000 2.321 530 H HA -0.149 4.406 4.556 -0.002 0.000 0.300 530 H C 1.974 177.426 175.328 0.208 0.000 1.087 530 H CA 2.226 58.436 56.048 0.269 0.000 1.319 530 H CB -0.694 29.259 29.762 0.318 0.000 1.379 530 H HN 0.409 nan 8.280 nan 0.000 0.501 531 C N -0.103 119.154 119.300 -0.072 0.000 2.425 531 C HA -0.100 4.358 4.460 -0.002 0.000 0.277 531 C C 2.603 177.287 174.990 -0.511 0.000 1.280 531 C CA 1.291 60.101 59.018 -0.347 0.000 1.744 531 C CB -1.260 26.244 27.740 -0.393 0.000 1.989 531 C HN 0.729 nan 8.230 nan 0.000 0.491 532 H N -1.338 117.388 119.070 -0.573 0.000 2.353 532 H HA -0.230 4.324 4.556 -0.002 0.000 0.300 532 H C 2.252 177.622 175.328 0.070 0.000 1.090 532 H CA 1.930 57.837 56.048 -0.234 0.000 1.327 532 H CB -0.188 29.722 29.762 0.247 0.000 1.383 532 H HN 0.591 nan 8.280 nan 0.000 0.508 533 Y N 0.908 121.286 120.300 0.129 0.000 2.128 533 Y HA -0.230 4.319 4.550 -0.002 0.000 0.284 533 Y C 2.228 178.082 175.900 -0.077 0.000 1.154 533 Y CA 1.485 59.609 58.100 0.041 0.000 1.149 533 Y CB -0.768 37.677 38.460 -0.024 0.000 0.976 533 Y HN 0.029 nan 8.280 nan 0.000 0.505 534 V N -0.469 119.178 119.914 -0.446 0.000 2.343 534 V HA -0.312 3.807 4.120 -0.002 0.000 0.247 534 V C 2.476 178.361 176.094 -0.348 0.000 1.051 534 V CA 1.783 63.753 62.300 -0.551 0.000 1.036 534 V CB -0.948 30.630 31.823 -0.409 0.000 0.654 534 V HN 0.388 nan 8.190 nan 0.000 0.451 535 V N -0.384 119.447 119.914 -0.139 0.000 2.295 535 V HA -0.229 3.890 4.120 -0.002 0.000 0.246 535 V C 2.423 178.565 176.094 0.079 0.000 1.049 535 V CA 1.954 64.279 62.300 0.041 0.000 1.024 535 V CB -0.461 31.556 31.823 0.323 0.000 0.648 535 V HN 0.401 nan 8.190 nan 0.000 0.447 536 V N 0.075 120.034 119.914 0.075 0.000 2.287 536 V HA -0.334 3.785 4.120 -0.002 0.000 0.248 536 V C 2.441 178.494 176.094 -0.068 0.000 1.053 536 V CA 2.561 64.864 62.300 0.004 0.000 1.027 536 V CB -0.699 30.896 31.823 -0.380 0.000 0.646 536 V HN 0.587 nan 8.190 nan 0.000 0.447 537 K N -0.133 120.132 120.400 -0.226 0.000 2.026 537 K HA -0.159 4.159 4.320 -0.002 0.000 0.208 537 K C 2.058 178.555 176.600 -0.173 0.000 1.048 537 K CA 1.732 57.873 56.287 -0.242 0.000 0.929 537 K CB -0.202 32.003 32.500 -0.492 0.000 0.713 537 K HN 0.317 nan 8.250 nan 0.000 0.439 538 V N 1.194 120.976 119.914 -0.221 0.000 2.343 538 V HA -0.225 3.894 4.120 -0.002 0.000 0.247 538 V C 2.043 178.154 176.094 0.028 0.000 1.051 538 V CA 1.888 64.074 62.300 -0.189 0.000 1.036 538 V CB -0.539 31.087 31.823 -0.329 0.000 0.654 538 V HN 0.372 nan 8.190 nan 0.000 0.451 539 F N 0.611 120.508 119.950 -0.089 0.000 2.113 539 F HA -0.214 4.312 4.527 -0.002 0.000 0.297 539 F C 2.660 178.397 175.800 -0.104 0.000 1.103 539 F CA 1.377 59.352 58.000 -0.043 0.000 1.248 539 F CB 0.141 39.140 39.000 -0.003 0.000 0.999 539 F HN 0.169 nan 8.300 nan 0.000 0.475 540 S N 0.260 115.981 115.700 0.035 0.000 2.359 540 S HA -0.227 4.242 4.470 -0.002 0.000 0.224 540 S C 1.278 175.839 174.600 -0.065 0.000 1.035 540 S CA 1.603 59.749 58.200 -0.091 0.000 1.018 540 S CB -0.465 62.687 63.200 -0.079 0.000 0.876 540 S HN 0.417 nan 8.310 nan 0.000 0.448 541 D N 0.866 121.241 120.400 -0.042 0.000 2.218 541 D HA -0.061 4.578 4.640 -0.002 0.000 0.204 541 D C 1.887 178.157 176.300 -0.050 0.000 0.976 541 D CA 0.904 54.881 54.000 -0.038 0.000 0.853 541 D CB -0.171 40.611 40.800 -0.030 0.000 0.939 541 D HN 0.225 nan 8.370 nan 0.000 0.481 542 K N 0.493 120.850 120.400 -0.073 0.000 2.155 542 K HA -0.038 4.281 4.320 -0.002 0.000 0.203 542 K C 1.809 178.303 176.600 -0.176 0.000 1.052 542 K CA 0.382 56.573 56.287 -0.160 0.000 0.948 542 K CB -0.270 32.011 32.500 -0.364 0.000 0.728 542 K HN -0.052 nan 8.250 nan 0.000 0.448 543 L N 1.135 122.269 121.223 -0.147 0.000 1.997 543 L HA -0.145 4.194 4.340 -0.002 0.000 0.216 543 L C -0.676 176.133 176.870 -0.101 0.000 1.074 543 L CA 2.145 56.901 54.840 -0.140 0.000 0.763 543 L CB -2.237 39.733 42.059 -0.150 0.000 0.890 543 L HN 0.146 nan 8.230 nan 0.000 0.434 544 P HA -0.163 nan 4.420 nan 0.000 0.221 544 P C 1.372 178.646 177.300 -0.043 0.000 1.145 544 P CA 1.357 64.426 63.100 -0.052 0.000 0.795 544 P CB -0.026 31.652 31.700 -0.038 0.000 0.775 545 K N -1.254 119.115 120.400 -0.052 0.000 2.418 545 K HA 0.050 4.369 4.320 -0.002 0.000 0.195 545 K C 0.541 177.121 176.600 -0.034 0.000 1.035 545 K CA 0.156 56.422 56.287 -0.036 0.000 1.003 545 K CB -0.059 32.421 32.500 -0.034 0.000 0.793 545 K HN 0.120 nan 8.250 nan 0.000 0.494 546 I N 2.830 123.368 120.570 -0.052 0.000 2.587 546 I HA -0.082 4.087 4.170 -0.002 0.000 0.284 546 I C 1.528 177.634 176.117 -0.017 0.000 1.134 546 I CA 0.597 61.875 61.300 -0.037 0.000 1.410 546 I CB 0.779 38.743 38.000 -0.059 0.000 1.392 546 I HN 0.192 nan 8.210 nan 0.000 0.545 547 Q N 3.607 123.409 119.800 0.003 0.000 1.990 547 Q HA -0.103 4.236 4.340 -0.002 0.000 0.200 547 Q C 0.637 176.643 176.000 0.009 0.000 0.980 547 Q CA 1.170 56.978 55.803 0.010 0.000 0.832 547 Q CB -0.002 28.750 28.738 0.023 0.000 0.897 547 Q HN 0.621 nan 8.270 nan 0.000 0.427 548 D N 0.614 121.025 120.400 0.018 0.000 2.383 548 D HA -0.019 4.620 4.640 -0.002 0.000 0.252 548 D C 0.358 176.659 176.300 0.002 0.000 1.166 548 D CA -0.008 54.004 54.000 0.020 0.000 0.879 548 D CB 1.016 41.840 40.800 0.040 0.000 1.164 548 D HN -0.157 nan 8.370 nan 0.000 0.462 549 K N 2.967 123.368 120.400 0.001 0.000 2.057 549 K HA -0.093 4.226 4.320 -0.002 0.000 0.207 549 K C 1.807 178.398 176.600 -0.015 0.000 1.049 549 K CA 1.347 57.627 56.287 -0.011 0.000 0.931 549 K CB -0.342 32.153 32.500 -0.007 0.000 0.714 549 K HN 0.497 nan 8.250 nan 0.000 0.440 550 A N 0.365 123.191 122.820 0.011 0.000 1.933 550 A HA -0.113 4.206 4.320 -0.002 0.000 0.218 550 A C 2.329 179.906 177.584 -0.013 0.000 1.175 550 A CA 1.553 53.609 52.037 0.032 0.000 0.628 550 A CB -0.654 18.403 19.000 0.095 0.000 0.814 550 A HN 0.067 nan 8.150 nan 0.000 0.444 551 V N -0.208 119.690 119.914 -0.027 0.000 2.358 551 V HA -0.283 3.836 4.120 -0.002 0.000 0.246 551 V C 2.686 178.672 176.094 -0.180 0.000 1.047 551 V CA 2.191 64.403 62.300 -0.147 0.000 1.035 551 V CB -0.756 31.031 31.823 -0.059 0.000 0.658 551 V HN 0.758 nan 8.190 nan 0.000 0.452 552 Q N -0.106 119.630 119.800 -0.107 0.000 2.084 552 Q HA -0.223 4.116 4.340 -0.002 0.000 0.202 552 Q C 2.279 178.199 176.000 -0.134 0.000 0.978 552 Q CA 2.003 57.740 55.803 -0.110 0.000 0.844 552 Q CB -0.275 28.416 28.738 -0.078 0.000 0.898 552 Q HN 0.633 nan 8.270 nan 0.000 0.426 553 A N 0.326 123.077 122.820 -0.115 0.000 1.883 553 A HA -0.187 4.131 4.320 -0.002 0.000 0.217 553 A C 2.204 179.694 177.584 -0.157 0.000 1.186 553 A CA 2.044 54.014 52.037 -0.112 0.000 0.624 553 A CB -1.138 17.819 19.000 -0.072 0.000 0.822 553 A HN 0.445 nan 8.150 nan 0.000 0.444 554 V N -1.895 117.887 119.914 -0.219 0.000 2.358 554 V HA -0.174 3.945 4.120 -0.002 0.000 0.246 554 V C 2.290 178.195 176.094 -0.314 0.000 1.047 554 V CA 1.873 63.994 62.300 -0.298 0.000 1.035 554 V CB -1.108 30.403 31.823 -0.519 0.000 0.658 554 V HN 0.445 nan 8.190 nan 0.000 0.452 555 L N -0.191 120.843 121.223 -0.315 0.000 2.275 555 L HA -0.047 4.292 4.340 -0.002 0.000 0.215 555 L C 2.954 179.686 176.870 -0.230 0.000 1.119 555 L CA 1.736 56.441 54.840 -0.225 0.000 0.790 555 L CB -0.567 41.429 42.059 -0.105 0.000 0.919 555 L HN 0.356 nan 8.230 nan 0.000 0.443 556 R N 0.673 121.037 120.500 -0.227 0.000 2.090 556 R HA -0.123 4.216 4.340 -0.002 0.000 0.228 556 R C 1.861 178.029 176.300 -0.220 0.000 1.110 556 R CA 1.458 57.413 56.100 -0.242 0.000 0.973 556 R CB -0.107 30.091 30.300 -0.170 0.000 0.869 556 R HN 0.464 nan 8.270 nan 0.000 0.440 557 N N 0.115 118.711 118.700 -0.172 0.000 2.166 557 N HA -0.133 4.606 4.740 -0.002 0.000 0.186 557 N C 1.789 177.234 175.510 -0.107 0.000 1.019 557 N CA 1.002 53.978 53.050 -0.123 0.000 0.856 557 N CB 0.018 38.437 38.487 -0.113 0.000 0.993 557 N HN 0.194 nan 8.380 nan 0.000 0.426 558 L N 0.030 121.175 121.223 -0.130 0.000 2.056 558 L HA -0.158 4.181 4.340 -0.002 0.000 0.207 558 L C 2.694 179.548 176.870 -0.027 0.000 1.078 558 L CA 0.615 55.442 54.840 -0.021 0.000 0.749 558 L CB -0.484 41.605 42.059 0.049 0.000 0.901 558 L HN 0.391 nan 8.230 nan 0.000 0.433 559 C N 0.354 119.398 119.300 -0.428 0.000 2.429 559 C HA -0.145 4.314 4.460 -0.002 0.000 0.277 559 C C 2.788 177.651 174.990 -0.212 0.000 1.262 559 C CA 0.651 59.206 59.018 -0.772 0.000 1.733 559 C CB -0.744 26.251 27.740 -1.240 0.000 2.010 559 C HN 0.395 nan 8.230 nan 0.000 0.483 560 L N 0.211 121.339 121.223 -0.158 0.000 2.046 560 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 560 L C 2.507 179.401 176.870 0.040 0.000 1.077 560 L CA 1.254 56.063 54.840 -0.051 0.000 0.747 560 L CB -0.721 41.305 42.059 -0.054 0.000 0.896 560 L HN 0.381 nan 8.230 nan 0.000 0.432 561 L N -1.017 120.245 121.223 0.065 0.000 2.017 561 L HA -0.275 4.064 4.340 -0.002 0.000 0.208 561 L C 2.454 179.450 176.870 0.209 0.000 1.073 561 L CA 1.822 56.740 54.840 0.130 0.000 0.745 561 L CB -0.833 41.293 42.059 0.113 0.000 0.894 561 L HN 0.194 nan 8.230 nan 0.000 0.432 562 Y N -0.141 120.234 120.300 0.124 0.000 2.128 562 Y HA -0.261 4.288 4.550 -0.002 0.000 0.284 562 Y C 2.581 178.639 175.900 0.264 0.000 1.154 562 Y CA 2.022 60.252 58.100 0.216 0.000 1.149 562 Y CB -0.475 38.148 38.460 0.271 0.000 0.976 562 Y HN 0.292 nan 8.280 nan 0.000 0.505 563 S N 0.583 116.389 115.700 0.175 0.000 2.343 563 S HA -0.192 4.277 4.470 -0.002 0.000 0.219 563 S C 2.057 176.746 174.600 0.147 0.000 1.033 563 S CA 1.690 59.926 58.200 0.060 0.000 1.014 563 S CB -0.753 62.461 63.200 0.023 0.000 0.915 563 S HN 0.457 nan 8.310 nan 0.000 0.435 564 L N -0.116 121.173 121.223 0.111 0.000 2.046 564 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 564 L C 2.375 179.305 176.870 0.099 0.000 1.077 564 L CA 1.660 56.544 54.840 0.073 0.000 0.747 564 L CB -0.648 41.457 42.059 0.077 0.000 0.896 564 L HN 0.327 nan 8.230 nan 0.000 0.432 565 Y N 0.897 121.215 120.300 0.030 0.000 2.128 565 Y HA -0.234 4.314 4.550 -0.002 0.000 0.284 565 Y C 2.386 178.310 175.900 0.040 0.000 1.154 565 Y CA 1.677 59.798 58.100 0.036 0.000 1.149 565 Y CB -0.442 38.026 38.460 0.013 0.000 0.976 565 Y HN 0.098 nan 8.280 nan 0.000 0.505 566 G N 0.222 109.084 108.800 0.103 0.000 2.432 566 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.219 566 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.219 566 G C 1.628 176.539 174.900 0.018 0.000 1.135 566 G CA 1.269 46.469 45.100 0.166 0.000 0.767 566 G HN 0.519 nan 8.290 nan 0.000 0.550 567 I N 0.503 120.979 120.570 -0.157 0.000 2.286 567 I HA -0.133 4.035 4.170 -0.002 0.000 0.245 567 I C 2.995 178.962 176.117 -0.249 0.000 1.104 567 I CA 1.187 62.182 61.300 -0.508 0.000 1.397 567 I CB -0.180 37.381 38.000 -0.732 0.000 1.072 567 I HN 0.270 nan 8.210 nan 0.000 0.417 568 S N 0.238 115.837 115.700 -0.169 0.000 2.368 568 S HA -0.207 4.262 4.470 -0.002 0.000 0.225 568 S C 2.060 176.592 174.600 -0.112 0.000 1.030 568 S CA 1.292 59.424 58.200 -0.113 0.000 0.999 568 S CB -0.106 63.057 63.200 -0.062 0.000 0.844 568 S HN 0.352 nan 8.310 nan 0.000 0.459 569 Q N 0.527 120.206 119.800 -0.201 0.000 2.226 569 Q HA 0.059 4.398 4.340 -0.002 0.000 0.204 569 Q C 0.738 176.720 176.000 -0.030 0.000 0.975 569 Q CA 1.006 56.707 55.803 -0.171 0.000 0.866 569 Q CB -0.069 28.487 28.738 -0.302 0.000 0.915 569 Q HN 0.485 nan 8.270 nan 0.000 0.440 570 K N -0.378 120.049 120.400 0.045 0.000 2.934 570 K HA 0.242 4.561 4.320 -0.002 0.000 0.210 570 K C 1.142 177.857 176.600 0.191 0.000 1.122 570 K CA 0.120 56.476 56.287 0.114 0.000 1.033 570 K CB 0.938 33.538 32.500 0.167 0.000 0.779 570 K HN 0.098 nan 8.250 nan 0.000 0.459 571 G N 1.099 109.967 108.800 0.113 0.000 2.503 571 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.221 571 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.221 571 G C 1.419 176.410 174.900 0.152 0.000 1.131 571 G CA 1.385 46.562 45.100 0.130 0.000 0.756 571 G HN 0.455 nan 8.290 nan 0.000 0.572 572 G N 0.697 109.542 108.800 0.076 0.000 2.475 572 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.220 572 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.220 572 G C 1.448 176.350 174.900 0.004 0.000 1.125 572 G CA 1.374 46.493 45.100 0.033 0.000 0.755 572 G HN 0.375 nan 8.290 nan 0.000 0.565 573 D N 0.500 120.881 120.400 -0.030 0.000 2.117 573 D HA -0.064 4.574 4.640 -0.002 0.000 0.197 573 D C 2.141 178.264 176.300 -0.296 0.000 0.987 573 D CA 0.695 54.567 54.000 -0.214 0.000 0.829 573 D CB -0.407 40.154 40.800 -0.397 0.000 0.961 573 D HN 0.408 nan 8.370 nan 0.000 0.460 574 F N 0.056 119.948 119.950 -0.097 0.000 2.259 574 F HA -0.022 4.504 4.527 -0.002 0.000 0.298 574 F C 2.108 177.868 175.800 -0.066 0.000 1.088 574 F CA 0.270 58.210 58.000 -0.099 0.000 1.358 574 F CB -0.337 38.587 39.000 -0.126 0.000 1.040 574 F HN -0.084 nan 8.300 nan 0.000 0.505 575 L N -0.129 121.165 121.223 0.117 0.000 2.072 575 L HA -0.105 4.233 4.340 -0.002 0.000 0.205 575 L C 2.484 179.363 176.870 0.015 0.000 1.079 575 L CA 1.461 56.334 54.840 0.055 0.000 0.752 575 L CB -1.189 40.895 42.059 0.041 0.000 0.906 575 L HN 0.080 nan 8.230 nan 0.000 0.436 576 E N 0.334 120.530 120.200 -0.007 0.000 2.118 576 E HA -0.178 4.171 4.350 -0.002 0.000 0.195 576 E C 1.806 178.388 176.600 -0.030 0.000 0.992 576 E CA 1.366 57.752 56.400 -0.024 0.000 0.804 576 E CB -0.159 29.517 29.700 -0.039 0.000 0.741 576 E HN 0.440 nan 8.360 nan 0.000 0.458 577 G N -0.489 108.285 108.800 -0.044 0.000 3.233 577 G HA2 0.027 3.986 3.960 -0.002 0.000 0.227 577 G HA3 0.027 3.986 3.960 -0.002 0.000 0.227 577 G C 0.457 175.347 174.900 -0.016 0.000 1.175 577 G CA 0.440 45.513 45.100 -0.044 0.000 0.781 577 G HN 0.140 nan 8.290 nan 0.000 0.542 578 S N -0.916 114.784 115.700 0.000 0.000 3.587 578 S HA -0.191 4.278 4.470 -0.002 0.000 0.337 578 S C 1.548 176.161 174.600 0.023 0.000 1.119 578 S CA 0.782 58.989 58.200 0.011 0.000 0.976 578 S CB -1.540 61.664 63.200 0.005 0.000 0.922 578 S HN 0.540 nan 8.310 nan 0.000 0.503 579 I N 0.084 120.678 120.570 0.041 0.000 2.406 579 I HA 0.109 4.278 4.170 -0.002 0.000 0.249 579 I C 1.108 177.271 176.117 0.077 0.000 1.122 579 I CA 1.172 62.513 61.300 0.068 0.000 1.431 579 I CB 0.049 38.117 38.000 0.114 0.000 1.087 579 I HN 0.559 nan 8.210 nan 0.000 0.424 580 I N -2.789 117.828 120.570 0.079 0.000 2.994 580 I HA 0.451 4.620 4.170 -0.002 0.000 0.306 580 I C -0.071 176.063 176.117 0.028 0.000 1.195 580 I CA -0.787 60.536 61.300 0.039 0.000 1.001 580 I CB 2.118 40.122 38.000 0.007 0.000 1.244 580 I HN -0.165 nan 8.210 nan 0.000 0.437 581 T N 0.433 114.994 114.554 0.010 0.000 2.847 581 T HA 0.424 4.773 4.350 -0.002 0.000 0.279 581 T C 1.190 175.890 174.700 0.001 0.000 0.984 581 T CA -0.043 62.061 62.100 0.007 0.000 0.988 581 T CB 1.347 70.217 68.868 0.003 0.000 1.040 581 T HN 0.931 nan 8.240 nan 0.000 0.528 582 G N -0.037 108.764 108.800 0.001 0.000 2.432 582 G HA2 -0.001 3.957 3.960 -0.002 0.000 0.219 582 G HA3 -0.001 3.957 3.960 -0.002 0.000 0.219 582 G C 1.700 176.595 174.900 -0.009 0.000 1.135 582 G CA 0.706 45.804 45.100 -0.003 0.000 0.767 582 G HN 1.072 nan 8.290 nan 0.000 0.550 583 A N 0.400 123.215 122.820 -0.008 0.000 1.902 583 A HA -0.074 4.245 4.320 -0.002 0.000 0.217 583 A C 2.317 179.893 177.584 -0.014 0.000 1.181 583 A CA 1.866 53.898 52.037 -0.009 0.000 0.623 583 A CB -0.394 18.602 19.000 -0.007 0.000 0.818 583 A HN 0.443 nan 8.150 nan 0.000 0.443 584 Q N -1.188 118.603 119.800 -0.016 0.000 2.119 584 Q HA -0.125 4.214 4.340 -0.002 0.000 0.201 584 Q C 2.044 178.021 176.000 -0.039 0.000 0.972 584 Q CA 1.258 57.046 55.803 -0.025 0.000 0.847 584 Q CB -0.291 28.430 28.738 -0.027 0.000 0.903 584 Q HN 0.568 nan 8.270 nan 0.000 0.433 585 L N 0.830 122.030 121.223 -0.039 0.000 2.042 585 L HA -0.201 4.137 4.340 -0.002 0.000 0.210 585 L C 2.318 179.166 176.870 -0.036 0.000 1.076 585 L CA 2.362 57.172 54.840 -0.050 0.000 0.749 585 L CB -0.850 41.188 42.059 -0.035 0.000 0.893 585 L HN 0.224 nan 8.230 nan 0.000 0.432 586 S N -1.536 114.149 115.700 -0.024 0.000 2.382 586 S HA -0.242 4.227 4.470 -0.002 0.000 0.228 586 S C 1.837 176.428 174.600 -0.016 0.000 1.027 586 S CA 1.158 59.346 58.200 -0.019 0.000 0.991 586 S CB -0.688 62.503 63.200 -0.015 0.000 0.823 586 S HN 0.676 nan 8.310 nan 0.000 0.469 587 Q N 0.659 120.449 119.800 -0.017 0.000 2.084 587 Q HA -0.022 4.317 4.340 -0.002 0.000 0.202 587 Q C 2.415 178.410 176.000 -0.010 0.000 0.978 587 Q CA 1.522 57.318 55.803 -0.012 0.000 0.844 587 Q CB -0.564 28.166 28.738 -0.014 0.000 0.898 587 Q HN 0.485 nan 8.270 nan 0.000 0.426 588 V N 2.111 122.012 119.914 -0.022 0.000 2.287 588 V HA -0.293 3.826 4.120 -0.002 0.000 0.248 588 V C 1.820 177.920 176.094 0.010 0.000 1.053 588 V CA 1.917 64.205 62.300 -0.020 0.000 1.027 588 V CB -0.594 31.191 31.823 -0.064 0.000 0.646 588 V HN 0.412 nan 8.190 nan 0.000 0.447 589 N N 0.441 119.143 118.700 0.005 0.000 2.166 589 N HA -0.116 4.623 4.740 -0.002 0.000 0.186 589 N C 1.852 177.379 175.510 0.027 0.000 1.019 589 N CA 1.665 54.729 53.050 0.023 0.000 0.856 589 N CB -0.501 37.984 38.487 -0.004 0.000 0.993 589 N HN 0.510 nan 8.380 nan 0.000 0.426 590 A N 1.097 123.925 122.820 0.013 0.000 1.898 590 A HA -0.087 4.231 4.320 -0.002 0.000 0.216 590 A C 2.294 179.896 177.584 0.031 0.000 1.181 590 A CA 1.312 53.358 52.037 0.015 0.000 0.620 590 A CB -0.364 18.639 19.000 0.006 0.000 0.819 590 A HN 0.119 nan 8.150 nan 0.000 0.442 591 R N 0.312 120.832 120.500 0.032 0.000 2.115 591 R HA 0.032 4.370 4.340 -0.002 0.000 0.230 591 R C 1.672 178.014 176.300 0.069 0.000 1.111 591 R CA 1.464 57.587 56.100 0.039 0.000 0.976 591 R CB -0.825 29.491 30.300 0.026 0.000 0.870 591 R HN 0.578 nan 8.270 nan 0.000 0.445 592 I N 0.062 120.690 120.570 0.097 0.000 2.226 592 I HA -0.295 3.873 4.170 -0.002 0.000 0.245 592 I C 1.881 178.098 176.117 0.167 0.000 1.100 592 I CA 1.216 62.612 61.300 0.160 0.000 1.374 592 I CB -0.204 37.940 38.000 0.240 0.000 1.057 592 I HN 0.158 nan 8.210 nan 0.000 0.413 593 L N 0.136 121.434 121.223 0.125 0.000 2.093 593 L HA -0.189 4.150 4.340 -0.002 0.000 0.208 593 L C 2.437 179.366 176.870 0.098 0.000 1.085 593 L CA 1.394 56.298 54.840 0.107 0.000 0.755 593 L CB -0.670 41.419 42.059 0.051 0.000 0.904 593 L HN 0.270 nan 8.230 nan 0.000 0.435 594 E N 0.395 120.640 120.200 0.075 0.000 2.110 594 E HA -0.199 4.150 4.350 -0.002 0.000 0.193 594 E C 2.337 178.982 176.600 0.075 0.000 0.988 594 E CA 0.953 57.390 56.400 0.062 0.000 0.804 594 E CB -0.153 29.572 29.700 0.041 0.000 0.745 594 E HN 0.453 nan 8.360 nan 0.000 0.458 595 L N 0.836 122.111 121.223 0.087 0.000 2.191 595 L HA -0.173 4.166 4.340 -0.002 0.000 0.212 595 L C 2.342 179.294 176.870 0.137 0.000 1.103 595 L CA 0.647 55.538 54.840 0.086 0.000 0.769 595 L CB -0.275 41.834 42.059 0.083 0.000 0.908 595 L HN 0.184 nan 8.230 nan 0.000 0.438 596 L N -0.590 120.759 121.223 0.209 0.000 2.017 596 L HA -0.207 4.132 4.340 -0.002 0.000 0.208 596 L C 2.874 179.941 176.870 0.329 0.000 1.073 596 L CA 1.993 57.056 54.840 0.371 0.000 0.745 596 L CB -1.133 41.100 42.059 0.290 0.000 0.894 596 L HN 0.445 nan 8.230 nan 0.000 0.432 597 T N -1.664 113.003 114.554 0.188 0.000 2.867 597 T HA -0.130 4.219 4.350 -0.002 0.000 0.268 597 T C 1.840 176.595 174.700 0.092 0.000 1.057 597 T CA 0.910 63.093 62.100 0.138 0.000 1.136 597 T CB -0.409 68.510 68.868 0.084 0.000 0.874 597 T HN 0.239 nan 8.240 nan 0.000 0.466 598 L N -0.222 121.040 121.223 0.065 0.000 2.217 598 L HA 0.196 4.535 4.340 -0.002 0.000 0.211 598 L C 2.572 179.429 176.870 -0.020 0.000 1.107 598 L CA 0.910 55.762 54.840 0.019 0.000 0.783 598 L CB -0.379 41.686 42.059 0.009 0.000 0.919 598 L HN 0.302 nan 8.230 nan 0.000 0.442 599 I N -0.965 119.580 120.570 -0.042 0.000 2.703 599 I HA -0.138 4.030 4.170 -0.002 0.000 0.259 599 I C 2.624 178.565 176.117 -0.294 0.000 1.151 599 I CA 0.085 61.258 61.300 -0.212 0.000 1.470 599 I CB -0.114 37.676 38.000 -0.350 0.000 1.112 599 I HN 0.174 nan 8.210 nan 0.000 0.437 600 R N 2.553 122.998 120.500 -0.091 0.000 2.159 600 R HA -0.207 4.132 4.340 -0.002 0.000 0.249 600 R C -0.813 175.483 176.300 -0.006 0.000 1.136 600 R CA 2.385 58.526 56.100 0.067 0.000 0.951 600 R CB -2.104 28.338 30.300 0.237 0.000 0.876 600 R HN 0.153 nan 8.270 nan 0.000 0.440 601 P HA -0.062 nan 4.420 nan 0.000 0.221 601 P C 0.132 177.419 177.300 -0.022 0.000 1.145 601 P CA 1.394 64.487 63.100 -0.012 0.000 0.795 601 P CB -0.050 31.646 31.700 -0.007 0.000 0.775 602 N N -1.912 116.769 118.700 -0.032 0.000 2.205 602 N HA 0.151 4.890 4.740 -0.002 0.000 0.201 602 N C 1.438 176.941 175.510 -0.011 0.000 1.128 602 N CA 0.400 53.478 53.050 0.046 0.000 0.867 602 N CB -0.026 38.559 38.487 0.165 0.000 0.996 602 N HN -0.017 nan 8.380 nan 0.000 0.503 603 A N 1.051 123.790 122.820 -0.135 0.000 1.869 603 A HA -0.176 4.143 4.320 -0.002 0.000 0.218 603 A C 2.279 179.859 177.584 -0.006 0.000 1.203 603 A CA 1.902 53.848 52.037 -0.152 0.000 0.638 603 A CB -0.901 18.047 19.000 -0.087 0.000 0.831 603 A HN 0.069 nan 8.150 nan 0.000 0.450 604 V N -0.418 119.501 119.914 0.007 0.000 2.358 604 V HA -0.195 3.924 4.120 -0.002 0.000 0.246 604 V C 3.023 179.108 176.094 -0.015 0.000 1.047 604 V CA 1.936 64.238 62.300 0.002 0.000 1.035 604 V CB -1.276 30.526 31.823 -0.036 0.000 0.658 604 V HN 0.662 nan 8.190 nan 0.000 0.452 605 A N -0.352 122.446 122.820 -0.038 0.000 1.969 605 A HA -0.114 4.205 4.320 -0.002 0.000 0.218 605 A C 2.202 179.841 177.584 0.091 0.000 1.169 605 A CA 1.497 53.489 52.037 -0.076 0.000 0.635 605 A CB -0.501 18.301 19.000 -0.331 0.000 0.810 605 A HN 0.506 nan 8.150 nan 0.000 0.445 606 L N -0.017 121.308 121.223 0.170 0.000 2.201 606 L HA -0.149 4.190 4.340 -0.002 0.000 0.212 606 L C 2.528 179.297 176.870 -0.169 0.000 1.105 606 L CA 1.394 56.278 54.840 0.073 0.000 0.775 606 L CB -0.348 41.690 42.059 -0.036 0.000 0.913 606 L HN 0.484 nan 8.230 nan 0.000 0.440 607 V N -4.970 114.911 119.914 -0.056 0.000 2.725 607 V HA -0.052 4.067 4.120 -0.002 0.000 0.247 607 V C 1.844 177.947 176.094 0.015 0.000 1.058 607 V CA 0.936 63.242 62.300 0.011 0.000 1.080 607 V CB -0.472 31.513 31.823 0.269 0.000 0.713 607 V HN 0.217 nan 8.190 nan 0.000 0.465 608 D N 1.919 122.328 120.400 0.016 0.000 2.149 608 D HA -0.101 4.538 4.640 -0.002 0.000 0.198 608 D C 2.277 178.558 176.300 -0.032 0.000 0.990 608 D CA 1.927 55.966 54.000 0.066 0.000 0.839 608 D CB -0.311 40.531 40.800 0.070 0.000 0.948 608 D HN 0.574 nan 8.370 nan 0.000 0.460 609 A N 0.125 122.861 122.820 -0.140 0.000 2.024 609 A HA -0.175 4.144 4.320 -0.002 0.000 0.220 609 A C 2.002 179.414 177.584 -0.286 0.000 1.164 609 A CA 0.883 52.807 52.037 -0.189 0.000 0.643 609 A CB -1.119 17.802 19.000 -0.132 0.000 0.806 609 A HN 0.258 nan 8.150 nan 0.000 0.451 610 F N -1.084 118.729 119.950 -0.229 0.000 2.451 610 F HA -0.073 4.453 4.527 -0.002 0.000 0.299 610 F C 1.181 176.552 175.800 -0.715 0.000 1.101 610 F CA 0.722 58.367 58.000 -0.590 0.000 1.436 610 F CB -0.129 38.421 39.000 -0.750 0.000 1.074 610 F HN 0.300 nan 8.300 nan 0.000 0.553 611 D N -0.327 119.930 120.400 -0.237 0.000 2.837 611 D HA -0.239 4.400 4.640 -0.002 0.000 0.230 611 D C -0.367 175.845 176.300 -0.147 0.000 1.152 611 D CA 0.338 54.232 54.000 -0.178 0.000 0.736 611 D CB -1.583 39.102 40.800 -0.191 0.000 1.084 611 D HN 0.166 nan 8.370 nan 0.000 0.429 612 F N 0.543 120.548 119.950 0.091 0.000 2.484 612 F HA 0.213 4.738 4.527 -0.002 0.000 0.360 612 F C 1.720 177.542 175.800 0.037 0.000 1.101 612 F CA -0.295 57.739 58.000 0.056 0.000 1.251 612 F CB 0.625 39.666 39.000 0.068 0.000 1.132 612 F HN -0.334 nan 8.300 nan 0.000 0.570 613 K N 1.986 122.510 120.400 0.207 0.000 2.126 613 K HA 0.051 4.370 4.320 -0.002 0.000 0.257 613 K C 0.480 177.144 176.600 0.107 0.000 1.007 613 K CA -0.232 56.113 56.287 0.097 0.000 0.928 613 K CB 0.797 33.322 32.500 0.041 0.000 1.013 613 K HN 0.558 nan 8.250 nan 0.000 0.473 614 D N 1.172 121.616 120.400 0.073 0.000 2.123 614 D HA -0.175 4.464 4.640 -0.002 0.000 0.196 614 D C 1.630 177.950 176.300 0.034 0.000 0.992 614 D CA 1.394 55.431 54.000 0.062 0.000 0.833 614 D CB 0.036 40.867 40.800 0.051 0.000 0.954 614 D HN 0.365 nan 8.370 nan 0.000 0.455 615 M N 0.147 119.761 119.600 0.022 0.000 2.202 615 M HA -0.115 4.364 4.480 -0.002 0.000 0.262 615 M C 1.794 178.112 176.300 0.029 0.000 1.063 615 M CA 1.337 56.643 55.300 0.009 0.000 1.097 615 M CB -0.324 32.269 32.600 -0.012 0.000 1.382 615 M HN -0.136 nan 8.290 nan 0.000 0.413 616 T N 0.118 114.698 114.554 0.044 0.000 2.896 616 T HA 0.022 4.371 4.350 -0.002 0.000 0.263 616 T C 1.687 176.372 174.700 -0.025 0.000 1.050 616 T CA 1.213 63.337 62.100 0.042 0.000 1.140 616 T CB -0.192 68.734 68.868 0.096 0.000 0.877 616 T HN 0.367 nan 8.240 nan 0.000 0.457 617 L N 0.497 121.702 121.223 -0.030 0.000 2.156 617 L HA 0.173 4.512 4.340 -0.002 0.000 0.208 617 L C 1.968 178.809 176.870 -0.049 0.000 1.095 617 L CA 0.627 55.415 54.840 -0.086 0.000 0.770 617 L CB -0.848 41.187 42.059 -0.040 0.000 0.914 617 L HN 0.462 nan 8.230 nan 0.000 0.439 618 G N 0.823 109.617 108.800 -0.010 0.000 2.305 618 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.287 618 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.287 618 G C 0.166 175.035 174.900 -0.053 0.000 1.036 618 G CA 0.688 45.789 45.100 0.003 0.000 0.887 618 G HN 0.371 nan 8.290 nan 0.000 0.505 619 S N -1.667 113.986 115.700 -0.078 0.000 2.557 619 S HA 0.589 5.058 4.470 -0.002 0.000 0.291 619 S C 1.140 175.648 174.600 -0.154 0.000 1.116 619 S CA 0.010 58.126 58.200 -0.141 0.000 0.992 619 S CB 2.066 65.198 63.200 -0.114 0.000 1.028 619 S HN 0.577 nan 8.310 nan 0.000 0.484 620 V N 5.978 125.739 119.914 -0.256 0.000 2.488 620 V HA -0.032 4.087 4.120 -0.002 0.000 0.246 620 V C 2.138 178.122 176.094 -0.182 0.000 1.046 620 V CA 1.422 63.591 62.300 -0.217 0.000 1.053 620 V CB -0.616 31.017 31.823 -0.315 0.000 0.679 620 V HN 0.849 nan 8.190 nan 0.000 0.458 621 L N 0.598 121.676 121.223 -0.241 0.000 2.141 621 L HA 0.002 4.341 4.340 -0.002 0.000 0.209 621 L C 2.204 179.037 176.870 -0.062 0.000 1.094 621 L CA 1.596 56.300 54.840 -0.228 0.000 0.763 621 L CB -0.752 41.015 42.059 -0.488 0.000 0.908 621 L HN 0.485 nan 8.230 nan 0.000 0.437 622 G N -0.479 108.284 108.800 -0.062 0.000 3.284 622 G HA2 0.091 4.050 3.960 -0.002 0.000 0.236 622 G HA3 0.091 4.050 3.960 -0.002 0.000 0.236 622 G C 0.541 175.456 174.900 0.026 0.000 1.158 622 G CA -0.518 44.586 45.100 0.006 0.000 0.774 622 G HN 0.153 nan 8.290 nan 0.000 0.545 623 R N -0.588 119.916 120.500 0.006 0.000 2.619 623 R HA -0.066 4.273 4.340 -0.002 0.000 0.268 623 R C 0.928 177.269 176.300 0.070 0.000 0.990 623 R CA -0.194 55.933 56.100 0.044 0.000 1.092 623 R CB 0.403 30.716 30.300 0.022 0.000 0.935 623 R HN 0.356 nan 8.270 nan 0.000 0.415 624 Y N 2.567 122.877 120.300 0.018 0.000 2.181 624 Y HA -0.254 4.295 4.550 -0.002 0.000 0.288 624 Y C 1.773 177.676 175.900 0.006 0.000 1.146 624 Y CA 2.305 60.417 58.100 0.019 0.000 1.164 624 Y CB 0.016 38.486 38.460 0.017 0.000 0.982 624 Y HN 0.745 nan 8.280 nan 0.000 0.515 625 D N -1.303 119.170 120.400 0.122 0.000 2.363 625 D HA 0.045 4.684 4.640 -0.002 0.000 0.220 625 D C 1.873 178.149 176.300 -0.040 0.000 0.994 625 D CA 0.926 54.954 54.000 0.047 0.000 0.890 625 D CB -0.667 40.196 40.800 0.105 0.000 0.906 625 D HN 0.464 nan 8.370 nan 0.000 0.530 626 G N 0.341 109.106 108.800 -0.058 0.000 2.189 626 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.267 626 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.267 626 G C 0.013 174.873 174.900 -0.066 0.000 0.975 626 G CA 0.196 45.254 45.100 -0.071 0.000 0.644 626 G HN 0.532 nan 8.290 nan 0.000 0.537 627 N N 0.796 119.476 118.700 -0.032 0.000 2.819 627 N HA 0.340 5.078 4.740 -0.002 0.000 0.284 627 N C 1.564 177.046 175.510 -0.048 0.000 1.196 627 N CA -0.170 52.869 53.050 -0.019 0.000 1.114 627 N CB 0.825 39.326 38.487 0.023 0.000 1.437 627 N HN 0.193 nan 8.380 nan 0.000 0.518 628 V N 0.963 120.783 119.914 -0.157 0.000 2.256 628 V HA -0.247 3.872 4.120 -0.002 0.000 0.240 628 V C 1.480 177.488 176.094 -0.144 0.000 1.036 628 V CA 1.398 63.557 62.300 -0.234 0.000 1.008 628 V CB -0.798 30.761 31.823 -0.441 0.000 0.648 628 V HN 0.595 nan 8.190 nan 0.000 0.453 629 Y N 0.574 120.906 120.300 0.052 0.000 2.114 629 Y HA -0.237 4.312 4.550 -0.002 0.000 0.282 629 Y C 2.840 178.804 175.900 0.107 0.000 1.165 629 Y CA 1.508 59.641 58.100 0.054 0.000 1.148 629 Y CB -0.322 38.168 38.460 0.050 0.000 0.972 629 Y HN 0.244 nan 8.280 nan 0.000 0.504 630 E N 0.203 120.559 120.200 0.260 0.000 2.077 630 E HA -0.180 4.169 4.350 -0.002 0.000 0.193 630 E C 1.718 178.456 176.600 0.229 0.000 0.989 630 E CA 0.991 57.537 56.400 0.243 0.000 0.800 630 E CB -0.472 29.332 29.700 0.174 0.000 0.746 630 E HN 0.572 nan 8.360 nan 0.000 0.452 631 N N 0.913 119.709 118.700 0.160 0.000 2.309 631 N HA -0.120 4.619 4.740 -0.002 0.000 0.182 631 N C 1.966 177.595 175.510 0.199 0.000 1.018 631 N CA 0.415 53.553 53.050 0.146 0.000 0.876 631 N CB -0.140 38.394 38.487 0.080 0.000 0.972 631 N HN 0.102 nan 8.380 nan 0.000 0.434 632 L N 0.479 121.811 121.223 0.183 0.000 2.056 632 L HA 0.018 4.357 4.340 -0.002 0.000 0.207 632 L C 1.996 179.106 176.870 0.401 0.000 1.078 632 L CA 1.260 56.225 54.840 0.208 0.000 0.749 632 L CB -0.942 41.170 42.059 0.089 0.000 0.901 632 L HN 0.074 nan 8.230 nan 0.000 0.433 633 F N -0.139 119.922 119.950 0.184 0.000 2.095 633 F HA -0.240 4.286 4.527 -0.002 0.000 0.298 633 F C 2.391 178.300 175.800 0.181 0.000 1.104 633 F CA 1.226 59.328 58.000 0.171 0.000 1.232 633 F CB 0.152 39.229 39.000 0.129 0.000 0.987 633 F HN 0.151 nan 8.300 nan 0.000 0.475 634 E N 0.070 120.372 120.200 0.171 0.000 2.051 634 E HA -0.283 4.066 4.350 -0.002 0.000 0.192 634 E C 1.667 178.362 176.600 0.158 0.000 0.991 634 E CA 1.519 57.937 56.400 0.030 0.000 0.799 634 E CB -0.961 28.786 29.700 0.077 0.000 0.748 634 E HN 0.684 nan 8.360 nan 0.000 0.449 635 W N 1.676 123.044 121.300 0.113 0.000 2.317 635 W HA -0.284 4.375 4.660 -0.002 0.000 0.318 635 W C 2.424 179.081 176.519 0.231 0.000 1.227 635 W CA 2.892 60.363 57.345 0.210 0.000 1.269 635 W CB -0.492 29.084 29.460 0.193 0.000 1.155 635 W HN 0.080 nan 8.180 nan 0.000 0.484 636 A N 0.280 123.349 122.820 0.415 0.000 1.883 636 A HA -0.244 4.075 4.320 -0.002 0.000 0.217 636 A C 1.900 179.449 177.584 -0.058 0.000 1.186 636 A CA 2.215 54.363 52.037 0.186 0.000 0.624 636 A CB -0.822 18.399 19.000 0.369 0.000 0.822 636 A HN 0.388 nan 8.150 nan 0.000 0.444 637 K N -0.293 120.070 120.400 -0.062 0.000 2.283 637 K HA -0.065 4.254 4.320 -0.002 0.000 0.202 637 K C 1.731 178.208 176.600 -0.205 0.000 1.048 637 K CA 1.344 57.536 56.287 -0.158 0.000 0.948 637 K CB -0.053 32.284 32.500 -0.272 0.000 0.742 637 K HN 0.438 nan 8.250 nan 0.000 0.458 638 K N 0.800 121.063 120.400 -0.228 0.000 2.418 638 K HA 0.018 4.336 4.320 -0.002 0.000 0.195 638 K C 0.525 176.697 176.600 -0.712 0.000 1.035 638 K CA 0.170 56.289 56.287 -0.279 0.000 1.003 638 K CB 0.344 32.818 32.500 -0.044 0.000 0.793 638 K HN 0.114 nan 8.250 nan 0.000 0.494 639 S N 1.147 116.253 115.700 -0.990 0.000 2.579 639 S HA 0.078 4.546 4.470 -0.002 0.000 0.275 639 S C -1.936 172.219 174.600 -0.742 0.000 1.345 639 S CA -1.212 56.121 58.200 -1.446 0.000 1.031 639 S CB 0.982 63.576 63.200 -1.011 0.000 0.892 639 S HN -0.178 nan 8.310 nan 0.000 0.529 640 P HA -0.176 nan 4.420 nan 0.000 0.217 640 P C 1.326 178.543 177.300 -0.138 0.000 1.162 640 P CA 1.366 64.303 63.100 -0.271 0.000 0.901 640 P CB -0.075 31.530 31.700 -0.159 0.000 0.793 641 L N -1.627 119.533 121.223 -0.106 0.000 2.456 641 L HA -0.075 4.264 4.340 -0.002 0.000 0.224 641 L C 1.071 177.936 176.870 -0.009 0.000 1.148 641 L CA 0.956 55.793 54.840 -0.005 0.000 0.825 641 L CB -0.641 41.412 42.059 -0.010 0.000 0.937 641 L HN 0.064 nan 8.230 nan 0.000 0.450 642 N N -0.117 118.531 118.700 -0.086 0.000 2.251 642 N HA -0.032 4.707 4.740 -0.002 0.000 0.217 642 N C 1.432 176.896 175.510 -0.076 0.000 1.124 642 N CA 0.107 53.114 53.050 -0.071 0.000 0.843 642 N CB 0.558 38.983 38.487 -0.102 0.000 1.024 642 N HN 0.107 nan 8.380 nan 0.000 0.501 643 K N 1.355 121.713 120.400 -0.069 0.000 2.097 643 K HA -0.052 4.266 4.320 -0.002 0.000 0.206 643 K C 0.451 177.029 176.600 -0.037 0.000 1.049 643 K CA 1.081 57.330 56.287 -0.063 0.000 0.933 643 K CB -0.145 32.325 32.500 -0.051 0.000 0.717 643 K HN 0.262 nan 8.250 nan 0.000 0.442 644 T N -2.752 111.794 114.554 -0.013 0.000 2.906 644 T HA 0.350 4.699 4.350 -0.002 0.000 0.295 644 T C 0.372 175.081 174.700 0.015 0.000 1.061 644 T CA -0.967 61.132 62.100 -0.001 0.000 1.000 644 T CB 1.591 70.461 68.868 0.003 0.000 1.103 644 T HN -0.063 nan 8.240 nan 0.000 0.486 645 E N 0.564 120.771 120.200 0.011 0.000 2.150 645 E HA 0.066 4.415 4.350 -0.002 0.000 0.193 645 E C 0.576 177.187 176.600 0.017 0.000 0.985 645 E CA 0.768 57.173 56.400 0.009 0.000 0.814 645 E CB 0.034 29.732 29.700 -0.003 0.000 0.752 645 E HN 0.524 nan 8.360 nan 0.000 0.466 646 V N 1.316 121.253 119.914 0.039 0.000 2.459 646 V HA 0.152 4.271 4.120 -0.002 0.000 0.295 646 V C -0.343 175.839 176.094 0.146 0.000 1.029 646 V CA -0.815 61.520 62.300 0.059 0.000 0.874 646 V CB 1.475 33.333 31.823 0.057 0.000 0.985 646 V HN 0.123 nan 8.190 nan 0.000 0.438 647 H N 2.596 121.723 119.070 0.095 0.000 2.582 647 H HA 0.248 4.803 4.556 -0.002 0.000 0.345 647 H C 0.985 176.434 175.328 0.201 0.000 1.104 647 H CA -0.121 55.999 56.048 0.120 0.000 1.390 647 H CB 1.383 31.206 29.762 0.101 0.000 1.461 647 H HN 0.711 nan 8.280 nan 0.000 0.551 648 E N 1.470 121.486 120.200 -0.307 0.000 2.130 648 E HA -0.248 4.101 4.350 -0.002 0.000 0.196 648 E C 2.107 178.766 176.600 0.099 0.000 0.998 648 E CA 1.761 58.117 56.400 -0.074 0.000 0.806 648 E CB -0.297 29.271 29.700 -0.220 0.000 0.738 648 E HN 0.711 nan 8.360 nan 0.000 0.459 649 S N -0.289 115.557 115.700 0.243 0.000 2.440 649 S HA -0.247 4.222 4.470 -0.002 0.000 0.238 649 S C 2.015 176.741 174.600 0.210 0.000 1.010 649 S CA 1.012 59.403 58.200 0.318 0.000 0.972 649 S CB -0.571 62.930 63.200 0.502 0.000 0.774 649 S HN 0.459 nan 8.310 nan 0.000 0.501 650 Y N 2.541 122.913 120.300 0.119 0.000 2.133 650 Y HA -0.124 4.425 4.550 -0.002 0.000 0.287 650 Y C 2.245 178.084 175.900 -0.101 0.000 1.134 650 Y CA 1.958 60.050 58.100 -0.013 0.000 1.133 650 Y CB -0.984 37.411 38.460 -0.109 0.000 0.987 650 Y HN 0.345 nan 8.280 nan 0.000 0.502 651 H N -0.192 118.782 119.070 -0.160 0.000 2.421 651 H HA -0.084 4.471 4.556 -0.002 0.000 0.298 651 H C 2.059 177.208 175.328 -0.299 0.000 1.087 651 H CA 1.766 57.656 56.048 -0.263 0.000 1.330 651 H CB 0.056 29.785 29.762 -0.055 0.000 1.388 651 H HN 0.141 nan 8.280 nan 0.000 0.526 652 K N -0.364 119.908 120.400 -0.213 0.000 2.186 652 K HA -0.008 4.311 4.320 -0.002 0.000 0.202 652 K C 0.733 176.968 176.600 -0.608 0.000 1.052 652 K CA 0.972 56.988 56.287 -0.452 0.000 0.965 652 K CB 0.457 32.571 32.500 -0.644 0.000 0.746 652 K HN 0.554 nan 8.250 nan 0.000 0.457 653 H N -1.580 117.448 119.070 -0.070 0.000 3.440 653 H HA 0.219 4.774 4.556 -0.002 0.000 0.259 653 H C 1.662 176.929 175.328 -0.102 0.000 1.120 653 H CA 0.013 56.024 56.048 -0.061 0.000 1.191 653 H CB 0.821 30.578 29.762 -0.008 0.000 1.537 653 H HN -0.013 nan 8.280 nan 0.000 0.547 654 L N 0.100 121.238 121.223 -0.142 0.000 2.515 654 L HA 0.175 4.514 4.340 -0.002 0.000 0.202 654 L C 1.371 178.042 176.870 -0.332 0.000 1.056 654 L CA 0.100 54.839 54.840 -0.168 0.000 0.847 654 L CB 0.349 42.389 42.059 -0.033 0.000 1.131 654 L HN -0.092 nan 8.230 nan 0.000 0.484 655 K N 0.000 119.928 120.400 -0.786 0.000 2.780 655 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 655 K CA 0.000 55.927 56.287 -0.599 0.000 0.838 655 K CB 0.000 32.067 32.500 -0.721 0.000 1.064 655 K HN 0.000 nan 8.250 nan 0.000 0.543