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 1ryx_1_A DATA FIRST_RESID 1 DATA SEQUENCE APPKSVIRWc TISSPEEKKc NNLRDLTQQE RISLTcVQKA TYLDcIKAIA DATA SEQUENCE NNEADAISLD GGQAFEAGLA PYKLKPIAAE VYEHTEGSTT SYYAVAVVKK DATA SEQUENCE GTEFTVNDLQ GKTScHTGLG RSAGWNIPIG TLLHRGAIEW EGIESGSVEQ DATA SEQUENCE AVAKFFSASc VPGATIEQKL cRQcKGDPKT KcARNAPYSG YSGAFHcLKD DATA SEQUENCE GKGDVAFVKH TTVNENAPDQ KDEYELLcLD GSRQPVDNYK TcNWARVAAH DATA SEQUENCE AVVARDDNKV EDIWSFLSKA QSDFGVDTKS DFHLFGPPGK KDPVLKDLLF DATA SEQUENCE KDSAIMLKRV PSLMDSQLYL GFEYYSAIQS MRKDQLTPSP RENRIQWcAV DATA SEQUENCE GKDEKSKcDR WSVVSNGDVE cTVVDETKDc IIKIMKGEAD AVALDGGLVY DATA SEQUENCE TAGVcGLVPV MAERYDDESQ cSKTDERPAS YFAVAVARKD SNVNWNNLKG DATA SEQUENCE KKScHTAVGR TAGWVIPMGL IHNRTGTcNF DEYFSEGcAP GSPPNSRLcQ DATA SEQUENCE LcQGSGGIPP EKcVASSHEK YFGYTGALRc LVEKGDVAFI QHSTVEENTG DATA SEQUENCE GKNKADWAKN LQMDDFELLc TDGRRANVMD YREcNLAEVP THAVVVRPEK DATA SEQUENCE ANKIRDLLER QEKRFGVNGS EKSKFMMFES QNKDLLFKDL TKcLFKVREG DATA SEQUENCE TTYKEFLGDK FYTVISSLKT cNPSDILQMc SFLEGK 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.009 0.000 1.274 1 A CA 0.000 52.042 52.037 0.009 0.000 0.836 1 A CB 0.000 19.006 19.000 0.010 0.000 0.831 2 P HA 0.933 nan 4.420 nan 0.000 0.186 2 P C -1.470 175.837 177.300 0.012 0.000 1.117 2 P CA 1.137 64.243 63.100 0.009 0.000 0.832 2 P CB -0.088 31.617 31.700 0.008 0.000 0.713 3 P HA 0.688 nan 4.420 nan 0.000 0.166 3 P C -1.217 176.097 177.300 0.023 0.000 1.719 3 P CA 0.956 64.068 63.100 0.020 0.000 1.520 3 P CB 0.470 32.181 31.700 0.017 0.000 1.566 4 K N 0.386 120.801 120.400 0.025 0.000 2.652 4 K HA 0.826 5.146 4.320 0.001 0.000 0.249 4 K C -0.153 176.465 176.600 0.030 0.000 0.986 4 K CA 0.274 56.577 56.287 0.027 0.000 0.867 4 K CB 0.987 33.500 32.500 0.021 0.000 1.201 4 K HN 1.284 nan 8.250 nan 0.000 0.450 5 S N -1.548 114.175 115.700 0.038 0.000 2.732 5 S HA 0.851 5.322 4.470 0.001 0.000 0.293 5 S C 0.157 174.785 174.600 0.045 0.000 1.159 5 S CA -0.025 58.199 58.200 0.041 0.000 0.847 5 S CB 1.307 64.536 63.200 0.047 0.000 1.169 5 S HN 1.806 nan 8.310 nan 0.000 0.501 6 V N 0.732 120.674 119.914 0.047 0.000 2.647 6 V HA 0.483 4.603 4.120 0.001 0.000 0.305 6 V C 0.249 176.381 176.094 0.063 0.000 1.162 6 V CA -0.823 61.507 62.300 0.050 0.000 1.248 6 V CB -0.750 31.096 31.823 0.038 0.000 1.508 6 V HN 0.867 nan 8.190 nan 0.000 0.647 7 I N 1.633 122.251 120.570 0.080 0.000 3.285 7 I HA -0.017 4.153 4.170 0.001 0.000 0.334 7 I C 1.043 177.229 176.117 0.115 0.000 1.153 7 I CA 1.593 62.955 61.300 0.103 0.000 1.480 7 I CB 0.340 38.427 38.000 0.145 0.000 1.268 7 I HN 0.685 nan 8.210 nan 0.000 0.536 8 R N 6.365 126.935 120.500 0.116 0.000 2.467 8 R HA 0.257 4.598 4.340 0.001 0.000 0.299 8 R C -1.157 175.240 176.300 0.161 0.000 1.120 8 R CA -0.630 55.544 56.100 0.124 0.000 0.940 8 R CB 0.566 30.907 30.300 0.068 0.000 1.161 8 R HN 0.626 nan 8.270 nan 0.000 0.506 9 W N 1.413 122.727 121.300 0.024 0.000 2.150 9 W HA 0.528 5.189 4.660 0.001 0.000 0.341 9 W C 1.118 177.643 176.519 0.010 0.000 1.276 9 W CA 0.103 57.460 57.345 0.021 0.000 1.238 9 W CB 1.246 30.735 29.460 0.049 0.000 1.128 9 W HN 0.796 nan 8.180 nan 0.000 0.581 10 c N 1.452 120.031 118.600 -0.036 0.000 2.062 10 c HA 0.717 5.287 4.570 0.001 0.000 0.333 10 c C 0.926 175.111 174.090 0.158 0.000 2.881 10 c CA 0.061 56.377 56.329 -0.022 0.000 1.825 10 c CB 0.900 43.295 42.510 -0.192 0.000 2.184 10 c HN 0.777 nan 8.230 nan 0.000 0.359 11 T N -1.855 112.749 114.554 0.082 0.000 3.003 11 T HA 0.512 4.863 4.350 0.001 0.000 0.111 11 T C 0.330 175.088 174.700 0.096 0.000 0.684 11 T CA 1.137 63.339 62.100 0.170 0.000 0.740 11 T CB -0.399 68.568 68.868 0.165 0.000 1.818 11 T HN 1.654 nan 8.240 nan 0.000 0.285 12 I N -0.328 120.285 120.570 0.071 0.000 1.466 12 I HA 0.499 4.669 4.170 0.001 0.000 0.281 12 I C 0.212 176.354 176.117 0.043 0.000 0.602 12 I CA 0.288 61.614 61.300 0.044 0.000 2.969 12 I CB -0.998 37.032 38.000 0.051 0.000 1.810 12 I HN 0.500 nan 8.210 nan 0.000 0.494 13 S N 0.259 115.991 115.700 0.052 0.000 2.687 13 S HA 0.569 5.040 4.470 0.001 0.000 0.283 13 S C 1.541 176.174 174.600 0.054 0.000 1.170 13 S CA 0.569 58.795 58.200 0.045 0.000 1.008 13 S CB 1.472 64.697 63.200 0.041 0.000 1.026 13 S HN 1.848 nan 8.310 nan 0.000 0.541 14 S N 2.861 118.588 115.700 0.045 0.000 2.359 14 S HA -0.054 4.416 4.470 0.001 0.000 0.222 14 S C -0.707 173.926 174.600 0.054 0.000 1.038 14 S CA 1.887 60.115 58.200 0.046 0.000 1.051 14 S CB -1.251 61.970 63.200 0.036 0.000 0.944 14 S HN 0.747 nan 8.310 nan 0.000 0.433 15 P HA -0.168 nan 4.420 nan 0.000 0.220 15 P C 1.251 178.595 177.300 0.074 0.000 1.155 15 P CA 2.565 65.700 63.100 0.059 0.000 0.880 15 P CB -0.604 31.129 31.700 0.054 0.000 0.790 16 E N -0.275 119.976 120.200 0.084 0.000 2.418 16 E HA -0.054 4.297 4.350 0.001 0.000 0.197 16 E C 1.996 178.660 176.600 0.106 0.000 1.026 16 E CA 1.485 57.946 56.400 0.103 0.000 0.862 16 E CB -1.468 28.307 29.700 0.125 0.000 0.799 16 E HN 0.558 nan 8.360 nan 0.000 0.518 17 E N 0.148 120.404 120.200 0.094 0.000 2.216 17 E HA 0.057 4.407 4.350 0.001 0.000 0.192 17 E C 2.297 178.938 176.600 0.068 0.000 0.988 17 E CA 1.620 58.074 56.400 0.090 0.000 0.834 17 E CB -0.929 28.816 29.700 0.075 0.000 0.772 17 E HN 0.727 nan 8.360 nan 0.000 0.479 18 K N 0.300 120.736 120.400 0.060 0.000 2.098 18 K HA 0.201 4.521 4.320 0.001 0.000 0.203 18 K C 2.672 179.296 176.600 0.039 0.000 1.051 18 K CA 1.791 58.104 56.287 0.044 0.000 0.957 18 K CB -1.148 31.380 32.500 0.047 0.000 0.738 18 K HN 0.615 nan 8.250 nan 0.000 0.447 19 K N 0.282 120.729 120.400 0.078 0.000 2.097 19 K HA -0.065 4.255 4.320 0.001 0.000 0.205 19 K C 2.349 178.965 176.600 0.026 0.000 1.050 19 K CA 1.486 57.843 56.287 0.117 0.000 0.938 19 K CB -1.781 30.853 32.500 0.224 0.000 0.718 19 K HN 0.812 nan 8.250 nan 0.000 0.442 20 c N 0.783 119.399 118.600 0.026 0.000 2.511 20 c HA 0.146 4.716 4.570 0.001 0.000 0.277 20 c C 1.523 175.613 174.090 -0.000 0.000 1.451 20 c CA 0.912 57.238 56.329 -0.005 0.000 1.735 20 c CB -1.546 41.000 42.510 0.059 0.000 1.704 20 c HN 0.618 nan 8.230 nan 0.000 0.571 21 N N -0.402 118.289 118.700 -0.015 0.000 2.145 21 N HA 0.093 4.834 4.740 0.001 0.000 0.219 21 N C 1.251 176.713 175.510 -0.080 0.000 1.266 21 N CA 0.884 53.919 53.050 -0.026 0.000 0.902 21 N CB -0.101 38.386 38.487 0.000 0.000 1.078 21 N HN 0.747 nan 8.380 nan 0.000 0.513 22 N N 0.762 119.377 118.700 -0.141 0.000 2.336 22 N HA 0.098 4.839 4.740 0.001 0.000 0.189 22 N C 1.452 176.719 175.510 -0.404 0.000 1.113 22 N CA 0.190 53.074 53.050 -0.278 0.000 0.858 22 N CB 0.284 38.552 38.487 -0.366 0.000 0.970 22 N HN 0.188 nan 8.380 nan 0.000 0.471 23 L N -1.851 119.200 121.223 -0.287 0.000 2.717 23 L HA 0.290 4.630 4.340 0.001 0.000 0.239 23 L C 2.692 179.481 176.870 -0.134 0.000 1.086 23 L CA 0.818 55.510 54.840 -0.247 0.000 0.897 23 L CB 0.096 42.033 42.059 -0.202 0.000 1.214 23 L HN 0.284 nan 8.230 nan 0.000 0.508 24 R N 0.692 121.133 120.500 -0.098 0.000 2.388 24 R HA -0.201 4.139 4.340 0.001 0.000 0.233 24 R C 1.250 177.522 176.300 -0.047 0.000 1.156 24 R CA 2.016 58.086 56.100 -0.049 0.000 1.036 24 R CB -1.740 28.543 30.300 -0.029 0.000 0.847 24 R HN 0.671 nan 8.270 nan 0.000 0.483 25 D N 0.918 121.275 120.400 -0.072 0.000 2.178 25 D HA -0.083 4.557 4.640 0.001 0.000 0.217 25 D C 2.209 178.481 176.300 -0.047 0.000 0.992 25 D CA 1.370 55.334 54.000 -0.059 0.000 0.895 25 D CB -0.488 40.265 40.800 -0.078 0.000 1.031 25 D HN 0.488 nan 8.370 nan 0.000 0.453 26 L N 0.666 121.853 121.223 -0.060 0.000 2.263 26 L HA -0.117 4.224 4.340 0.001 0.000 0.216 26 L C 2.324 179.179 176.870 -0.025 0.000 1.111 26 L CA 1.093 55.907 54.840 -0.042 0.000 0.773 26 L CB -1.504 40.524 42.059 -0.050 0.000 0.906 26 L HN -0.100 nan 8.230 nan 0.000 0.439 27 T N -0.006 114.532 114.554 -0.026 0.000 2.622 27 T HA -0.273 4.077 4.350 0.001 0.000 0.266 27 T C 2.382 177.082 174.700 0.001 0.000 1.047 27 T CA 2.478 64.575 62.100 -0.006 0.000 1.159 27 T CB -0.439 68.427 68.868 -0.005 0.000 0.863 27 T HN 0.667 nan 8.240 nan 0.000 0.422 28 Q N 1.789 121.586 119.800 -0.005 0.000 1.900 28 Q HA -0.147 4.194 4.340 0.001 0.000 0.219 28 Q C 1.661 177.660 176.000 -0.001 0.000 1.012 28 Q CA 1.490 57.292 55.803 -0.002 0.000 0.876 28 Q CB -1.328 27.406 28.738 -0.007 0.000 0.952 28 Q HN 0.539 nan 8.270 nan 0.000 0.419 29 Q N 2.055 121.851 119.800 -0.007 0.000 2.871 29 Q HA 0.405 4.745 4.340 0.001 0.000 0.218 29 Q C -0.279 175.720 176.000 -0.002 0.000 1.204 29 Q CA 0.978 56.778 55.803 -0.005 0.000 0.922 29 Q CB -1.336 27.396 28.738 -0.010 0.000 1.751 29 Q HN 0.785 nan 8.270 nan 0.000 0.476 30 E N 0.446 120.648 120.200 0.004 0.000 2.745 30 E HA 0.193 4.543 4.350 0.001 0.000 0.306 30 E C 0.199 176.810 176.600 0.018 0.000 1.090 30 E CA -0.720 55.686 56.400 0.010 0.000 0.893 30 E CB 0.319 30.026 29.700 0.011 0.000 1.205 30 E HN 0.091 nan 8.360 nan 0.000 0.438 31 R N -0.871 119.641 120.500 0.020 0.000 2.366 31 R HA -0.304 4.036 4.340 0.001 0.000 0.249 31 R C 1.719 178.037 176.300 0.031 0.000 1.064 31 R CA 3.102 59.217 56.100 0.025 0.000 0.925 31 R CB -1.663 28.653 30.300 0.027 0.000 0.952 31 R HN 1.539 nan 8.270 nan 0.000 0.444 32 I N -2.569 118.025 120.570 0.040 0.000 3.730 32 I HA 0.592 4.762 4.170 0.001 0.000 0.273 32 I C 0.523 176.667 176.117 0.045 0.000 1.166 32 I CA 0.019 61.347 61.300 0.047 0.000 1.156 32 I CB 1.305 39.344 38.000 0.065 0.000 1.385 32 I HN 0.285 nan 8.210 nan 0.000 0.486 33 S N -1.072 114.660 115.700 0.054 0.000 2.688 33 S HA 0.895 5.365 4.470 0.001 0.000 0.275 33 S C -0.953 173.687 174.600 0.066 0.000 1.175 33 S CA -0.446 57.784 58.200 0.050 0.000 0.818 33 S CB 1.281 64.503 63.200 0.037 0.000 1.157 33 S HN 1.015 nan 8.310 nan 0.000 0.482 34 L N 0.346 121.604 121.223 0.058 0.000 2.426 34 L HA 0.994 5.334 4.340 0.001 0.000 0.260 34 L C 0.176 177.087 176.870 0.068 0.000 1.233 34 L CA 0.422 55.309 54.840 0.078 0.000 1.267 34 L CB 0.667 42.767 42.059 0.067 0.000 1.814 34 L HN 1.324 nan 8.230 nan 0.000 0.561 35 T N -0.796 113.806 114.554 0.079 0.000 3.839 35 T HA 0.170 4.520 4.350 0.001 0.000 0.231 35 T C -0.367 174.389 174.700 0.093 0.000 0.592 35 T CA -0.362 61.778 62.100 0.067 0.000 0.901 35 T CB -1.102 67.800 68.868 0.056 0.000 1.337 35 T HN 0.640 nan 8.240 nan 0.000 0.486 36 c N 1.529 120.182 118.600 0.090 0.000 2.935 36 c HA 0.800 5.370 4.570 0.001 0.000 0.316 36 c C 1.075 175.230 174.090 0.108 0.000 1.364 36 c CA 1.724 58.126 56.329 0.121 0.000 1.917 36 c CB -0.417 42.149 42.510 0.093 0.000 2.288 36 c HN 2.222 nan 8.230 nan 0.000 0.720 37 V N 0.430 120.415 119.914 0.118 0.000 2.963 37 V HA 0.704 4.824 4.120 0.001 0.000 0.272 37 V C -0.709 175.434 176.094 0.083 0.000 1.559 37 V CA 0.237 62.585 62.300 0.080 0.000 0.959 37 V CB 0.660 32.519 31.823 0.061 0.000 1.202 37 V HN 1.415 nan 8.190 nan 0.000 0.447 38 Q N 1.409 121.241 119.800 0.055 0.000 2.456 38 Q HA 1.185 5.525 4.340 0.001 0.000 0.283 38 Q C -0.421 175.594 176.000 0.025 0.000 1.084 38 Q CA 0.010 55.843 55.803 0.050 0.000 0.801 38 Q CB 1.818 30.589 28.738 0.055 0.000 1.434 38 Q HN 2.706 nan 8.270 nan 0.000 0.419 39 K N -0.754 119.657 120.400 0.019 0.000 2.580 39 K HA 0.804 5.124 4.320 0.001 0.000 0.258 39 K C 0.829 177.432 176.600 0.005 0.000 0.936 39 K CA 0.367 56.658 56.287 0.006 0.000 0.852 39 K CB 0.703 33.198 32.500 -0.009 0.000 1.329 39 K HN 2.191 nan 8.250 nan 0.000 0.430 40 A N 0.820 123.643 122.820 0.004 0.000 2.016 40 A HA -0.101 4.219 4.320 0.001 0.000 0.225 40 A C 1.359 178.943 177.584 -0.001 0.000 1.230 40 A CA 3.231 55.270 52.037 0.003 0.000 0.678 40 A CB -0.901 18.100 19.000 0.000 0.000 0.826 40 A HN 2.121 nan 8.150 nan 0.000 0.484 41 T N -8.385 106.164 114.554 -0.008 0.000 2.901 41 T HA 0.543 4.894 4.350 0.001 0.000 0.293 41 T C 0.660 175.343 174.700 -0.030 0.000 1.084 41 T CA 0.107 62.198 62.100 -0.016 0.000 1.008 41 T CB 0.988 69.847 68.868 -0.016 0.000 1.170 41 T HN 0.967 nan 8.240 nan 0.000 0.509 42 Y N 0.017 120.295 120.300 -0.036 0.000 2.509 42 Y HA 0.273 4.824 4.550 0.001 0.000 0.293 42 Y C 2.068 177.927 175.900 -0.069 0.000 1.133 42 Y CA 0.893 58.958 58.100 -0.059 0.000 1.283 42 Y CB -0.941 37.484 38.460 -0.058 0.000 1.001 42 Y HN 0.714 nan 8.280 nan 0.000 0.555 43 L N -0.831 120.366 121.223 -0.043 0.000 2.062 43 L HA -0.134 4.207 4.340 0.001 0.000 0.202 43 L C 2.212 179.059 176.870 -0.039 0.000 1.079 43 L CA 1.186 56.011 54.840 -0.025 0.000 0.755 43 L CB -0.684 41.379 42.059 0.006 0.000 0.913 43 L HN 0.302 nan 8.230 nan 0.000 0.445 44 D N -0.428 119.957 120.400 -0.025 0.000 2.239 44 D HA -0.227 4.414 4.640 0.001 0.000 0.202 44 D C 2.139 178.396 176.300 -0.071 0.000 0.993 44 D CA 1.275 55.259 54.000 -0.027 0.000 0.874 44 D CB -0.001 40.789 40.800 -0.016 0.000 0.922 44 D HN 0.401 nan 8.370 nan 0.000 0.464 45 c N 0.424 118.969 118.600 -0.091 0.000 2.548 45 c HA -0.087 4.483 4.570 0.001 0.000 0.284 45 c C 2.850 176.820 174.090 -0.200 0.000 1.252 45 c CA -0.052 56.198 56.329 -0.132 0.000 1.725 45 c CB -1.002 41.424 42.510 -0.139 0.000 2.098 45 c HN 0.353 nan 8.230 nan 0.000 0.471 46 I N 1.278 121.711 120.570 -0.229 0.000 2.181 46 I HA -0.313 3.857 4.170 0.001 0.000 0.247 46 I C 2.838 178.618 176.117 -0.561 0.000 1.081 46 I CA 2.434 63.530 61.300 -0.340 0.000 1.340 46 I CB -0.891 36.938 38.000 -0.285 0.000 1.036 46 I HN 0.510 nan 8.210 nan 0.000 0.417 47 K N 1.072 121.152 120.400 -0.534 0.000 1.987 47 K HA -0.177 4.144 4.320 0.001 0.000 0.216 47 K C 2.339 178.753 176.600 -0.311 0.000 1.051 47 K CA 1.820 57.779 56.287 -0.548 0.000 0.942 47 K CB -1.558 30.896 32.500 -0.075 0.000 0.722 47 K HN 0.462 nan 8.250 nan 0.000 0.444 48 A N 0.565 123.275 122.820 -0.183 0.000 2.023 48 A HA -0.144 4.176 4.320 0.001 0.000 0.223 48 A C 2.433 179.932 177.584 -0.142 0.000 1.180 48 A CA 2.172 54.134 52.037 -0.125 0.000 0.659 48 A CB -0.598 18.341 19.000 -0.100 0.000 0.817 48 A HN 0.565 nan 8.150 nan 0.000 0.466 49 I N -0.726 119.721 120.570 -0.205 0.000 2.406 49 I HA -0.091 4.079 4.170 0.001 0.000 0.249 49 I C 2.646 178.673 176.117 -0.149 0.000 1.122 49 I CA 1.220 62.412 61.300 -0.180 0.000 1.431 49 I CB -0.212 37.660 38.000 -0.212 0.000 1.087 49 I HN 0.277 nan 8.210 nan 0.000 0.424 50 A N 0.041 122.745 122.820 -0.192 0.000 2.206 50 A HA -0.001 4.320 4.320 0.001 0.000 0.211 50 A C 1.429 178.992 177.584 -0.035 0.000 1.158 50 A CA 0.727 52.706 52.037 -0.098 0.000 0.761 50 A CB -0.554 18.402 19.000 -0.073 0.000 0.801 50 A HN 0.396 nan 8.150 nan 0.000 0.473 51 N N 0.313 118.982 118.700 -0.051 0.000 2.346 51 N HA 0.064 4.804 4.740 0.001 0.000 0.225 51 N C 0.976 176.474 175.510 -0.020 0.000 1.144 51 N CA 0.841 53.880 53.050 -0.018 0.000 0.837 51 N CB -0.583 37.893 38.487 -0.018 0.000 1.069 51 N HN 0.712 nan 8.380 nan 0.000 0.487 52 N N 0.870 119.555 118.700 -0.025 0.000 2.809 52 N HA -0.330 4.411 4.740 0.001 0.000 0.244 52 N C 1.180 176.677 175.510 -0.022 0.000 1.018 52 N CA 2.054 55.093 53.050 -0.019 0.000 0.917 52 N CB -1.831 36.652 38.487 -0.007 0.000 1.130 52 N HN 0.575 nan 8.380 nan 0.000 0.591 53 E N -0.233 119.949 120.200 -0.031 0.000 1.998 53 E HA 0.242 4.593 4.350 0.001 0.000 0.196 53 E C 1.819 178.400 176.600 -0.031 0.000 1.003 53 E CA 1.200 57.583 56.400 -0.028 0.000 0.829 53 E CB -0.145 29.534 29.700 -0.034 0.000 0.777 53 E HN 1.037 nan 8.360 nan 0.000 0.460 54 A N 0.324 123.110 122.820 -0.056 0.000 2.529 54 A HA 0.395 4.715 4.320 0.001 0.000 0.269 54 A C 0.941 178.483 177.584 -0.070 0.000 1.509 54 A CA 0.620 52.619 52.037 -0.063 0.000 0.857 54 A CB -0.362 18.576 19.000 -0.103 0.000 1.531 54 A HN 0.330 nan 8.150 nan 0.000 0.541 55 D N -1.949 118.393 120.400 -0.097 0.000 3.094 55 D HA 0.607 5.248 4.640 0.001 0.000 0.267 55 D C 0.463 176.654 176.300 -0.182 0.000 1.542 55 D CA 1.224 55.169 54.000 -0.091 0.000 1.157 55 D CB -0.150 40.643 40.800 -0.012 0.000 1.098 55 D HN 1.721 nan 8.370 nan 0.000 0.340 56 A N -2.294 120.308 122.820 -0.362 0.000 2.586 56 A HA 0.787 5.107 4.320 0.001 0.000 0.290 56 A C -1.489 175.531 177.584 -0.941 0.000 1.086 56 A CA 0.274 52.029 52.037 -0.470 0.000 0.665 56 A CB 0.755 19.582 19.000 -0.288 0.000 1.279 56 A HN 1.950 nan 8.150 nan 0.000 0.423 57 I N -0.019 120.098 120.570 -0.756 0.000 2.586 57 I HA 0.724 4.894 4.170 0.001 0.000 0.288 57 I C 0.080 175.906 176.117 -0.486 0.000 1.147 57 I CA -0.501 60.228 61.300 -0.952 0.000 1.047 57 I CB 1.138 38.754 38.000 -0.641 0.000 1.244 57 I HN 0.826 nan 8.210 nan 0.000 0.429 58 S N 6.346 121.848 115.700 -0.329 0.000 2.457 58 S HA 0.605 5.075 4.470 0.001 0.000 0.294 58 S C -0.184 174.367 174.600 -0.082 0.000 1.201 58 S CA 0.055 58.184 58.200 -0.118 0.000 1.112 58 S CB -0.673 62.446 63.200 -0.135 0.000 1.018 58 S HN 0.567 nan 8.310 nan 0.000 0.511 59 L N 3.348 124.530 121.223 -0.069 0.000 2.346 59 L HA 0.476 4.817 4.340 0.001 0.000 0.276 59 L C 0.084 176.904 176.870 -0.083 0.000 1.006 59 L CA -1.209 53.578 54.840 -0.088 0.000 0.817 59 L CB 1.527 43.538 42.059 -0.080 0.000 1.272 59 L HN 0.455 nan 8.230 nan 0.000 0.421 60 D N 1.469 121.668 120.400 -0.335 0.000 2.376 60 D HA 0.163 4.803 4.640 0.001 0.000 0.268 60 D C 1.341 177.571 176.300 -0.116 0.000 1.252 60 D CA -0.026 53.688 54.000 -0.477 0.000 1.041 60 D CB 0.103 40.245 40.800 -1.096 0.000 1.109 60 D HN 0.533 nan 8.370 nan 0.000 0.552 61 G N -0.810 107.955 108.800 -0.058 0.000 2.812 61 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 61 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 61 G C 1.499 176.418 174.900 0.031 0.000 1.287 61 G CA 1.659 46.762 45.100 0.004 0.000 0.796 61 G HN 0.596 nan 8.290 nan 0.000 0.649 62 G N -0.299 108.495 108.800 -0.010 0.000 2.586 62 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 62 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 62 G C 1.817 176.722 174.900 0.008 0.000 1.216 62 G CA 1.431 46.518 45.100 -0.022 0.000 0.786 62 G HN 0.467 nan 8.290 nan 0.000 0.583 63 Q N 0.357 120.138 119.800 -0.031 0.000 2.173 63 Q HA -0.218 4.122 4.340 0.001 0.000 0.208 63 Q C 2.970 178.994 176.000 0.040 0.000 0.989 63 Q CA 1.715 57.504 55.803 -0.023 0.000 0.872 63 Q CB -0.545 28.147 28.738 -0.077 0.000 0.909 63 Q HN 0.510 nan 8.270 nan 0.000 0.420 64 A N 0.171 123.034 122.820 0.072 0.000 1.969 64 A HA -0.134 4.187 4.320 0.001 0.000 0.218 64 A C 1.821 179.534 177.584 0.215 0.000 1.169 64 A CA 0.785 52.902 52.037 0.134 0.000 0.635 64 A CB -0.691 18.404 19.000 0.158 0.000 0.810 64 A HN 0.416 nan 8.150 nan 0.000 0.445 65 F N 0.608 120.582 119.950 0.041 0.000 1.999 65 F HA -0.028 4.499 4.527 0.001 0.000 0.293 65 F C 2.860 178.685 175.800 0.043 0.000 1.173 65 F CA 2.130 60.156 58.000 0.043 0.000 1.162 65 F CB -0.631 38.329 39.000 -0.067 0.000 0.981 65 F HN 0.334 nan 8.300 nan 0.000 0.479 66 E N 1.006 121.519 120.200 0.520 0.000 2.164 66 E HA -0.333 4.017 4.350 0.001 0.000 0.206 66 E C 1.976 178.737 176.600 0.267 0.000 1.032 66 E CA 2.096 58.673 56.400 0.295 0.000 0.832 66 E CB -1.785 27.951 29.700 0.060 0.000 0.742 66 E HN 0.718 nan 8.360 nan 0.000 0.460 67 A N 0.581 123.517 122.820 0.192 0.000 1.873 67 A HA 0.099 4.420 4.320 0.001 0.000 0.219 67 A C 2.452 180.129 177.584 0.155 0.000 1.269 67 A CA 2.108 54.218 52.037 0.121 0.000 0.671 67 A CB -1.204 17.838 19.000 0.070 0.000 0.842 67 A HN 1.207 nan 8.150 nan 0.000 0.460 68 G N -0.437 108.457 108.800 0.156 0.000 3.064 68 G HA2 0.485 4.445 3.960 0.001 0.000 0.286 68 G HA3 0.485 4.445 3.960 0.001 0.000 0.286 68 G C -0.360 174.639 174.900 0.164 0.000 0.834 68 G CA -0.228 44.952 45.100 0.133 0.000 1.856 68 G HN 0.289 nan 8.290 nan 0.000 0.559 69 L N 0.355 121.694 121.223 0.193 0.000 2.277 69 L HA 0.728 5.068 4.340 0.001 0.000 0.254 69 L C 1.033 177.972 176.870 0.114 0.000 1.044 69 L CA -0.927 54.020 54.840 0.178 0.000 0.842 69 L CB 1.911 44.105 42.059 0.226 0.000 1.422 69 L HN 0.445 nan 8.230 nan 0.000 0.422 70 A N 1.311 124.172 122.820 0.069 0.000 2.363 70 A HA 0.174 4.495 4.320 0.001 0.000 0.291 70 A C -1.637 175.915 177.584 -0.052 0.000 1.210 70 A CA 0.545 52.592 52.037 0.016 0.000 0.892 70 A CB -1.089 17.913 19.000 0.004 0.000 1.121 70 A HN 0.759 nan 8.150 nan 0.000 0.522 71 P HA -0.255 nan 4.420 nan 0.000 0.160 71 P C 0.418 177.580 177.300 -0.231 0.000 0.683 71 P CA 2.859 65.812 63.100 -0.245 0.000 0.656 71 P CB -0.790 30.655 31.700 -0.425 0.000 0.398 72 Y N -3.495 116.813 120.300 0.014 0.000 3.147 72 Y HA 0.435 4.985 4.550 0.001 0.000 0.153 72 Y C 0.277 176.183 175.900 0.009 0.000 0.875 72 Y CA -0.598 57.506 58.100 0.008 0.000 1.849 72 Y CB 0.381 38.846 38.460 0.008 0.000 1.322 72 Y HN -0.479 nan 8.280 nan 0.000 0.348 73 K N 1.277 121.821 120.400 0.240 0.000 3.186 73 K HA 0.018 4.339 4.320 0.001 0.000 0.992 73 K C -1.984 174.664 176.600 0.079 0.000 1.173 73 K CA 0.266 56.627 56.287 0.123 0.000 1.156 73 K CB -1.304 31.244 32.500 0.080 0.000 3.174 73 K HN 0.309 nan 8.250 nan 0.000 0.166 74 L N 2.477 123.740 121.223 0.067 0.000 2.327 74 L HA 0.760 5.100 4.340 0.001 0.000 0.258 74 L C -0.344 176.536 176.870 0.016 0.000 1.024 74 L CA -1.121 53.729 54.840 0.016 0.000 0.825 74 L CB 2.384 44.433 42.059 -0.016 0.000 1.386 74 L HN 0.642 nan 8.230 nan 0.000 0.417 75 K N -0.026 120.367 120.400 -0.013 0.000 2.556 75 K HA 0.578 4.899 4.320 0.001 0.000 0.274 75 K C -3.009 173.556 176.600 -0.058 0.000 0.966 75 K CA -1.576 54.701 56.287 -0.017 0.000 0.865 75 K CB 1.528 34.016 32.500 -0.019 0.000 1.444 75 K HN 0.128 nan 8.250 nan 0.000 0.433 76 P HA 0.237 nan 4.420 nan 0.000 0.280 76 P C -0.256 176.932 177.300 -0.186 0.000 1.244 76 P CA -0.421 62.565 63.100 -0.191 0.000 0.784 76 P CB 0.960 32.422 31.700 -0.398 0.000 0.913 77 I N -0.172 120.280 120.570 -0.197 0.000 3.597 77 I HA 0.699 4.870 4.170 0.001 0.000 0.323 77 I C 0.249 176.178 176.117 -0.314 0.000 1.535 77 I CA -0.224 60.962 61.300 -0.189 0.000 1.028 77 I CB -0.258 37.663 38.000 -0.131 0.000 1.354 77 I HN 0.702 nan 8.210 nan 0.000 0.544 78 A N 0.057 122.698 122.820 -0.299 0.000 2.574 78 A HA 1.004 5.325 4.320 0.001 0.000 0.298 78 A C -0.821 176.624 177.584 -0.231 0.000 0.987 78 A CA 0.104 51.949 52.037 -0.320 0.000 0.678 78 A CB -0.102 18.681 19.000 -0.361 0.000 1.296 78 A HN 2.276 nan 8.150 nan 0.000 0.420 79 A N 1.080 123.817 122.820 -0.138 0.000 2.465 79 A HA 0.685 5.006 4.320 0.001 0.000 0.292 79 A C -0.699 176.887 177.584 0.004 0.000 1.041 79 A CA -0.423 51.587 52.037 -0.046 0.000 0.718 79 A CB 0.726 19.724 19.000 -0.004 0.000 1.266 79 A HN 0.792 nan 8.150 nan 0.000 0.403 80 E N 1.822 122.022 120.200 0.001 0.000 2.328 80 E HA 0.298 4.648 4.350 0.001 0.000 0.265 80 E C 0.022 176.634 176.600 0.021 0.000 1.057 80 E CA -0.072 56.323 56.400 -0.009 0.000 0.916 80 E CB 0.660 30.319 29.700 -0.067 0.000 0.993 80 E HN 0.410 nan 8.360 nan 0.000 0.446 81 V N 2.252 122.201 119.914 0.058 0.000 3.262 81 V HA 0.576 4.696 4.120 0.001 0.000 0.313 81 V C 0.514 176.647 176.094 0.065 0.000 1.070 81 V CA -0.175 62.160 62.300 0.058 0.000 1.049 81 V CB 0.554 32.423 31.823 0.076 0.000 1.157 81 V HN 0.782 nan 8.190 nan 0.000 0.454 82 Y N -1.725 118.608 120.300 0.055 0.000 3.129 82 Y HA 0.897 5.448 4.550 0.001 0.000 0.266 82 Y C -0.059 175.870 175.900 0.048 0.000 2.052 82 Y CA -0.281 57.851 58.100 0.053 0.000 1.035 82 Y CB 0.237 38.713 38.460 0.026 0.000 2.140 82 Y HN 0.867 nan 8.280 nan 0.000 0.420 83 E N -0.921 119.300 120.200 0.036 0.000 2.312 83 E HA 0.820 5.170 4.350 0.001 0.000 0.267 83 E C -0.556 176.061 176.600 0.027 0.000 0.894 83 E CA 0.468 56.888 56.400 0.032 0.000 0.773 83 E CB 0.724 30.439 29.700 0.026 0.000 1.241 83 E HN 2.706 nan 8.360 nan 0.000 0.432 84 H N -1.708 117.381 119.070 0.031 0.000 3.619 84 H HA 0.772 5.329 4.556 0.001 0.000 0.314 84 H C 0.624 175.973 175.328 0.036 0.000 1.587 84 H CA 0.697 56.764 56.048 0.033 0.000 1.172 84 H CB 0.917 30.706 29.762 0.046 0.000 1.730 84 H HN 0.580 nan 8.280 nan 0.000 0.780 85 T N -1.337 113.245 114.554 0.046 0.000 2.966 85 T HA 0.341 4.691 4.350 0.001 0.000 0.254 85 T C 2.001 176.729 174.700 0.047 0.000 0.961 85 T CA 1.560 63.685 62.100 0.042 0.000 0.915 85 T CB 0.261 69.152 68.868 0.040 0.000 1.186 85 T HN 0.848 nan 8.240 nan 0.000 0.505 86 E N 1.405 121.644 120.200 0.065 0.000 2.023 86 E HA 0.574 4.925 4.350 0.001 0.000 0.195 86 E C 1.237 177.866 176.600 0.049 0.000 0.964 86 E CA 0.769 57.203 56.400 0.057 0.000 0.845 86 E CB -0.981 28.770 29.700 0.086 0.000 0.813 86 E HN 0.497 nan 8.360 nan 0.000 0.476 87 G N -0.530 108.308 108.800 0.063 0.000 3.262 87 G HA2 0.453 4.413 3.960 0.001 0.000 0.229 87 G HA3 0.453 4.413 3.960 0.001 0.000 0.229 87 G C 0.392 175.327 174.900 0.059 0.000 1.280 87 G CA 0.439 45.574 45.100 0.058 0.000 0.951 87 G HN 0.940 nan 8.290 nan 0.000 0.589 88 S N -1.257 114.475 115.700 0.053 0.000 2.600 88 S HA 0.566 5.037 4.470 0.001 0.000 0.265 88 S C -0.263 174.368 174.600 0.052 0.000 1.325 88 S CA 0.007 58.234 58.200 0.046 0.000 1.002 88 S CB 1.174 64.392 63.200 0.031 0.000 0.921 88 S HN 0.659 nan 8.310 nan 0.000 0.554 89 T N 1.526 116.107 114.554 0.045 0.000 2.847 89 T HA 0.588 4.938 4.350 0.001 0.000 0.291 89 T C -0.680 174.038 174.700 0.031 0.000 0.998 89 T CA -0.717 61.412 62.100 0.049 0.000 0.967 89 T CB 1.397 70.295 68.868 0.050 0.000 0.954 89 T HN 0.684 nan 8.240 nan 0.000 0.441 90 T N 1.831 116.401 114.554 0.027 0.000 4.003 90 T HA 0.488 4.838 4.350 0.001 0.000 0.239 90 T C 0.197 174.894 174.700 -0.005 0.000 0.992 90 T CA -0.542 61.569 62.100 0.019 0.000 1.317 90 T CB -0.052 68.821 68.868 0.009 0.000 0.940 90 T HN 0.788 nan 8.240 nan 0.000 0.593 91 S N -1.019 114.677 115.700 -0.007 0.000 3.636 91 S HA 0.785 5.256 4.470 0.001 0.000 0.304 91 S C -1.148 173.442 174.600 -0.017 0.000 1.165 91 S CA -0.414 57.757 58.200 -0.047 0.000 1.244 91 S CB 0.987 64.142 63.200 -0.074 0.000 1.621 91 S HN 1.388 nan 8.310 nan 0.000 0.537 92 Y N -1.054 119.243 120.300 -0.006 0.000 1.800 92 Y HA 0.394 4.944 4.550 0.001 0.000 0.305 92 Y C -1.386 174.539 175.900 0.041 0.000 1.159 92 Y CA -1.984 56.143 58.100 0.044 0.000 1.865 92 Y CB -1.665 36.805 38.460 0.017 0.000 1.220 92 Y HN 0.828 nan 8.280 nan 0.000 0.375 93 Y N 1.967 122.230 120.300 -0.062 0.000 2.480 93 Y HA 0.573 5.124 4.550 0.001 0.000 0.338 93 Y C 0.803 176.706 175.900 0.005 0.000 1.220 93 Y CA 0.278 58.373 58.100 -0.008 0.000 1.430 93 Y CB 1.572 40.042 38.460 0.016 0.000 1.311 93 Y HN 1.234 nan 8.280 nan 0.000 0.575 94 A N 2.783 125.719 122.820 0.193 0.000 2.337 94 A HA 0.882 5.202 4.320 0.001 0.000 0.329 94 A C -1.015 176.682 177.584 0.189 0.000 1.146 94 A CA -0.539 51.588 52.037 0.150 0.000 0.800 94 A CB 0.803 19.868 19.000 0.108 0.000 1.220 94 A HN 0.539 nan 8.150 nan 0.000 0.472 95 V N -1.058 118.927 119.914 0.118 0.000 3.165 95 V HA 0.929 5.050 4.120 0.001 0.000 0.309 95 V C -0.110 175.925 176.094 -0.097 0.000 1.267 95 V CA -0.506 61.849 62.300 0.092 0.000 1.067 95 V CB 1.688 33.587 31.823 0.126 0.000 1.082 95 V HN 1.653 nan 8.190 nan 0.000 0.451 96 A N 0.594 123.301 122.820 -0.188 0.000 2.457 96 A HA 0.791 5.111 4.320 0.001 0.000 0.283 96 A C -0.728 176.686 177.584 -0.284 0.000 1.166 96 A CA -0.431 51.270 52.037 -0.559 0.000 0.740 96 A CB 0.948 19.268 19.000 -1.133 0.000 1.181 96 A HN 0.791 nan 8.150 nan 0.000 0.446 97 V N 1.344 121.101 119.914 -0.262 0.000 3.441 97 V HA 0.712 4.832 4.120 0.001 0.000 0.300 97 V C 0.518 176.518 176.094 -0.156 0.000 1.062 97 V CA -0.288 61.916 62.300 -0.160 0.000 1.064 97 V CB 1.474 33.191 31.823 -0.177 0.000 1.197 97 V HN 1.098 nan 8.190 nan 0.000 0.451 98 V N -0.645 119.215 119.914 -0.091 0.000 3.225 98 V HA 0.701 4.821 4.120 0.001 0.000 0.293 98 V C -0.193 175.886 176.094 -0.024 0.000 1.405 98 V CA -0.148 62.104 62.300 -0.081 0.000 1.038 98 V CB 2.061 33.783 31.823 -0.168 0.000 1.123 98 V HN 1.198 nan 8.190 nan 0.000 0.447 99 K N 2.592 122.982 120.400 -0.017 0.000 2.237 99 K HA 0.801 5.121 4.320 0.001 0.000 0.270 99 K C 0.453 177.014 176.600 -0.064 0.000 1.015 99 K CA 0.464 56.776 56.287 0.042 0.000 0.949 99 K CB 0.365 32.899 32.500 0.058 0.000 0.976 99 K HN 1.785 nan 8.250 nan 0.000 0.472 100 K N -0.176 120.186 120.400 -0.064 0.000 2.168 100 K HA 0.435 4.755 4.320 0.001 0.000 0.244 100 K C 1.689 178.225 176.600 -0.105 0.000 1.065 100 K CA 0.582 56.814 56.287 -0.091 0.000 0.808 100 K CB -1.033 31.416 32.500 -0.085 0.000 1.080 100 K HN 2.398 nan 8.250 nan 0.000 0.526 101 G N 0.265 109.006 108.800 -0.099 0.000 2.361 101 G HA2 -0.224 3.737 3.960 0.001 0.000 0.294 101 G HA3 -0.224 3.737 3.960 0.001 0.000 0.294 101 G C 0.540 175.353 174.900 -0.145 0.000 1.004 101 G CA 0.858 45.900 45.100 -0.096 0.000 0.870 101 G HN 1.299 nan 8.290 nan 0.000 0.510 102 T N 0.253 114.676 114.554 -0.218 0.000 2.830 102 T HA 0.355 4.706 4.350 0.001 0.000 0.282 102 T C 1.338 175.831 174.700 -0.345 0.000 1.024 102 T CA 1.269 63.120 62.100 -0.414 0.000 1.144 102 T CB 0.612 69.188 68.868 -0.486 0.000 1.035 102 T HN 1.072 nan 8.240 nan 0.000 0.507 103 E N 2.260 122.228 120.200 -0.386 0.000 2.437 103 E HA 0.447 4.798 4.350 0.001 0.000 0.195 103 E C 0.022 176.662 176.600 0.067 0.000 1.029 103 E CA -0.407 55.943 56.400 -0.084 0.000 0.948 103 E CB -0.426 29.310 29.700 0.060 0.000 1.082 103 E HN 0.697 nan 8.360 nan 0.000 0.456 104 F N -5.307 114.623 119.950 -0.034 0.000 2.817 104 F HA 0.706 5.233 4.527 0.001 0.000 0.317 104 F C 0.514 176.304 175.800 -0.018 0.000 1.168 104 F CA -0.696 57.284 58.000 -0.034 0.000 0.911 104 F CB 1.207 40.173 39.000 -0.057 0.000 1.337 104 F HN -0.232 nan 8.300 nan 0.000 0.464 105 T N -0.388 114.330 114.554 0.275 0.000 3.610 105 T HA 0.399 4.750 4.350 0.001 0.000 0.209 105 T C 0.347 175.198 174.700 0.250 0.000 0.889 105 T CA 1.208 63.411 62.100 0.171 0.000 1.469 105 T CB 0.268 69.194 68.868 0.097 0.000 1.557 105 T HN 0.614 nan 8.240 nan 0.000 0.431 106 V N 0.618 120.643 119.914 0.185 0.000 4.785 106 V HA 0.208 4.329 4.120 0.001 0.000 0.500 106 V C 0.390 176.554 176.094 0.117 0.000 1.953 106 V CA -0.326 62.080 62.300 0.177 0.000 2.247 106 V CB -0.009 31.871 31.823 0.094 0.000 1.045 106 V HN 0.372 nan 8.190 nan 0.000 0.421 107 N N 1.622 120.378 118.700 0.093 0.000 2.251 107 N HA 0.262 5.003 4.740 0.001 0.000 0.217 107 N C 0.623 176.165 175.510 0.053 0.000 1.124 107 N CA 1.237 54.328 53.050 0.068 0.000 0.843 107 N CB 0.945 39.464 38.487 0.052 0.000 1.024 107 N HN 0.810 nan 8.380 nan 0.000 0.501 108 D N -0.285 120.133 120.400 0.030 0.000 3.007 108 D HA -0.023 4.618 4.640 0.001 0.000 0.345 108 D C 1.073 177.278 176.300 -0.158 0.000 1.445 108 D CA -0.242 53.737 54.000 -0.035 0.000 0.940 108 D CB -1.031 39.767 40.800 -0.003 0.000 1.707 108 D HN 0.089 nan 8.370 nan 0.000 0.377 109 L N -2.652 118.432 121.223 -0.231 0.000 2.549 109 L HA 0.415 4.755 4.340 0.001 0.000 0.229 109 L C 1.996 178.469 176.870 -0.662 0.000 1.158 109 L CA 1.383 55.911 54.840 -0.518 0.000 0.842 109 L CB -1.935 39.783 42.059 -0.568 0.000 0.952 109 L HN 0.419 nan 8.230 nan 0.000 0.452 110 Q N 1.300 120.717 119.800 -0.638 0.000 2.536 110 Q HA 0.372 4.713 4.340 0.001 0.000 0.252 110 Q C 1.310 177.030 176.000 -0.466 0.000 1.321 110 Q CA 1.071 56.383 55.803 -0.819 0.000 0.927 110 Q CB -1.635 26.837 28.738 -0.442 0.000 1.564 110 Q HN 0.816 nan 8.270 nan 0.000 0.518 111 G N -0.019 108.516 108.800 -0.440 0.000 4.386 111 G HA2 -0.110 3.851 3.960 0.001 0.000 0.185 111 G HA3 -0.110 3.851 3.960 0.001 0.000 0.185 111 G C 0.011 174.776 174.900 -0.225 0.000 1.725 111 G CA -0.254 44.715 45.100 -0.219 0.000 0.941 111 G HN 0.742 nan 8.290 nan 0.000 0.315 112 K N 2.425 122.587 120.400 -0.397 0.000 2.584 112 K HA 0.152 4.472 4.320 0.001 0.000 0.277 112 K C 0.516 176.935 176.600 -0.302 0.000 0.960 112 K CA 1.137 57.188 56.287 -0.393 0.000 0.975 112 K CB -0.862 31.251 32.500 -0.644 0.000 0.885 112 K HN 0.706 nan 8.250 nan 0.000 0.515 113 T N -1.455 113.029 114.554 -0.117 0.000 2.910 113 T HA 0.253 4.604 4.350 0.001 0.000 0.293 113 T C 0.416 175.215 174.700 0.165 0.000 1.015 113 T CA -0.800 61.350 62.100 0.083 0.000 1.094 113 T CB 1.379 70.296 68.868 0.081 0.000 0.968 113 T HN 0.440 nan 8.240 nan 0.000 0.521 114 S N -0.456 115.532 115.700 0.481 0.000 2.718 114 S HA 0.651 5.121 4.470 0.001 0.000 0.300 114 S C -0.821 174.036 174.600 0.429 0.000 1.117 114 S CA -0.756 57.813 58.200 0.616 0.000 1.002 114 S CB 0.531 64.397 63.200 1.110 0.000 1.092 114 S HN 0.930 nan 8.310 nan 0.000 0.542 115 c N 2.497 121.317 118.600 0.367 0.000 2.431 115 c HA 0.647 5.217 4.570 0.001 0.000 0.321 115 c C -0.831 173.349 174.090 0.150 0.000 1.202 115 c CA -0.666 55.796 56.329 0.222 0.000 1.398 115 c CB 0.303 42.846 42.510 0.055 0.000 2.047 115 c HN 0.857 nan 8.230 nan 0.000 0.465 116 H N 0.923 120.086 119.070 0.155 0.000 2.930 116 H HA 0.216 4.772 4.556 0.001 0.000 0.371 116 H C 0.755 176.131 175.328 0.081 0.000 1.169 116 H CA -0.021 56.118 56.048 0.152 0.000 1.157 116 H CB 2.324 32.199 29.762 0.188 0.000 1.789 116 H HN 0.695 nan 8.280 nan 0.000 0.547 117 T N -0.322 114.331 114.554 0.165 0.000 2.803 117 T HA -0.006 4.345 4.350 0.001 0.000 0.269 117 T C 1.182 175.902 174.700 0.033 0.000 1.052 117 T CA 1.350 63.484 62.100 0.057 0.000 1.136 117 T CB 0.194 69.070 68.868 0.013 0.000 0.864 117 T HN 0.822 nan 8.240 nan 0.000 0.467 118 G N 0.862 109.707 108.800 0.075 0.000 2.419 118 G HA2 0.492 4.452 3.960 0.001 0.000 0.061 118 G HA3 0.492 4.452 3.960 0.001 0.000 0.061 118 G C -1.163 173.641 174.900 -0.160 0.000 0.907 118 G CA -0.090 44.984 45.100 -0.044 0.000 1.174 118 G HN 1.212 nan 8.290 nan 0.000 0.468 119 L N -1.591 119.511 121.223 -0.200 0.000 2.568 119 L HA 0.902 5.242 4.340 0.001 0.000 0.257 119 L C 1.786 178.579 176.870 -0.127 0.000 1.024 119 L CA 0.783 55.380 54.840 -0.406 0.000 0.854 119 L CB 0.844 42.548 42.059 -0.591 0.000 1.460 119 L HN 2.700 nan 8.230 nan 0.000 0.409 120 G N -0.849 107.938 108.800 -0.020 0.000 2.225 120 G HA2 0.107 4.067 3.960 0.001 0.000 0.272 120 G HA3 0.107 4.067 3.960 0.001 0.000 0.272 120 G C 0.485 175.422 174.900 0.061 0.000 0.996 120 G CA 1.844 46.976 45.100 0.054 0.000 0.710 120 G HN 2.610 nan 8.290 nan 0.000 0.522 121 R N -0.778 119.787 120.500 0.109 0.000 2.549 121 R HA 0.867 5.207 4.340 0.001 0.000 0.259 121 R C 1.551 177.892 176.300 0.067 0.000 1.095 121 R CA 0.803 56.946 56.100 0.070 0.000 1.148 121 R CB 0.289 30.628 30.300 0.065 0.000 1.181 121 R HN 0.444 nan 8.270 nan 0.000 0.571 122 S N -0.275 115.444 115.700 0.033 0.000 2.432 122 S HA 0.234 4.705 4.470 0.001 0.000 0.203 122 S C 2.503 177.107 174.600 0.006 0.000 0.987 122 S CA 0.741 58.949 58.200 0.013 0.000 0.908 122 S CB -0.370 62.840 63.200 0.017 0.000 0.883 122 S HN 0.996 nan 8.310 nan 0.000 0.577 123 A N 1.922 124.760 122.820 0.029 0.000 1.870 123 A HA -0.005 4.316 4.320 0.001 0.000 0.219 123 A C 1.602 179.190 177.584 0.005 0.000 1.224 123 A CA 2.040 54.099 52.037 0.038 0.000 0.650 123 A CB -1.636 17.411 19.000 0.078 0.000 0.836 123 A HN 0.549 nan 8.150 nan 0.000 0.454 124 G N -4.258 104.568 108.800 0.043 0.000 2.504 124 G HA2 0.246 4.206 3.960 0.001 0.000 0.257 124 G HA3 0.246 4.206 3.960 0.001 0.000 0.257 124 G C 0.786 175.744 174.900 0.098 0.000 1.451 124 G CA 0.094 45.240 45.100 0.077 0.000 1.059 124 G HN 0.712 nan 8.290 nan 0.000 0.550 125 W N -0.217 121.125 121.300 0.069 0.000 2.244 125 W HA -0.433 4.227 4.660 0.001 0.000 0.352 125 W C 2.443 178.861 176.519 -0.169 0.000 1.753 125 W CA 4.043 61.334 57.345 -0.090 0.000 1.883 125 W CB -1.094 28.295 29.460 -0.119 0.000 0.927 125 W HN 0.751 nan 8.180 nan 0.000 0.467 126 N N 0.315 118.905 118.700 -0.182 0.000 2.023 126 N HA -0.257 4.483 4.740 0.001 0.000 0.200 126 N C 1.679 177.028 175.510 -0.267 0.000 1.048 126 N CA 3.205 56.110 53.050 -0.241 0.000 0.872 126 N CB -1.276 37.166 38.487 -0.074 0.000 1.070 126 N HN 0.436 nan 8.380 nan 0.000 0.441 127 I N 0.851 121.314 120.570 -0.178 0.000 2.315 127 I HA -0.123 4.048 4.170 0.001 0.000 0.248 127 I C -0.545 175.481 176.117 -0.153 0.000 1.117 127 I CA 1.174 62.422 61.300 -0.086 0.000 1.404 127 I CB -0.752 37.251 38.000 0.005 0.000 1.071 127 I HN 0.405 nan 8.210 nan 0.000 0.419 128 P HA -0.097 nan 4.420 nan 0.000 0.212 128 P C 1.735 178.712 177.300 -0.537 0.000 1.179 128 P CA 1.788 64.269 63.100 -1.031 0.000 0.898 128 P CB -0.106 30.429 31.700 -1.940 0.000 0.775 129 I N -0.381 119.725 120.570 -0.774 0.000 3.334 129 I HA 0.196 4.366 4.170 0.001 0.000 0.282 129 I C 2.074 177.833 176.117 -0.597 0.000 1.313 129 I CA 1.638 62.420 61.300 -0.863 0.000 1.396 129 I CB -1.845 35.111 38.000 -1.739 0.000 1.054 129 I HN 0.173 nan 8.210 nan 0.000 0.495 130 G N -1.842 106.711 108.800 -0.411 0.000 3.324 130 G HA2 0.272 4.233 3.960 0.001 0.000 0.251 130 G HA3 0.272 4.233 3.960 0.001 0.000 0.251 130 G C 1.133 175.956 174.900 -0.127 0.000 1.072 130 G CA 1.062 46.006 45.100 -0.261 0.000 0.787 130 G HN 0.383 nan 8.290 nan 0.000 0.537 131 T N 0.512 115.050 114.554 -0.028 0.000 2.999 131 T HA 0.147 4.498 4.350 0.001 0.000 0.247 131 T C 2.251 176.930 174.700 -0.034 0.000 1.012 131 T CA -0.069 62.043 62.100 0.020 0.000 1.048 131 T CB 0.088 69.097 68.868 0.234 0.000 1.020 131 T HN 0.114 nan 8.240 nan 0.000 0.478 132 L N 1.449 122.675 121.223 0.005 0.000 2.291 132 L HA 0.090 4.430 4.340 0.001 0.000 0.214 132 L C 2.930 179.688 176.870 -0.187 0.000 1.120 132 L CA 0.773 55.573 54.840 -0.066 0.000 0.799 132 L CB -0.811 41.194 42.059 -0.090 0.000 0.925 132 L HN 0.241 nan 8.230 nan 0.000 0.446 133 L N -1.339 119.766 121.223 -0.196 0.000 2.341 133 L HA -0.016 4.324 4.340 0.001 0.000 0.214 133 L C 2.701 179.500 176.870 -0.119 0.000 1.115 133 L CA 2.081 56.809 54.840 -0.186 0.000 0.820 133 L CB -2.347 39.596 42.059 -0.193 0.000 0.944 133 L HN 0.532 nan 8.230 nan 0.000 0.452 134 H N -1.234 117.775 119.070 -0.102 0.000 2.344 134 H HA 0.221 4.778 4.556 0.001 0.000 0.307 134 H C 2.670 177.966 175.328 -0.053 0.000 1.057 134 H CA 2.827 58.833 56.048 -0.070 0.000 1.373 134 H CB -0.543 29.166 29.762 -0.089 0.000 1.421 134 H HN 0.685 nan 8.280 nan 0.000 0.532 135 R N -0.032 120.427 120.500 -0.069 0.000 2.083 135 R HA 0.275 4.615 4.340 0.001 0.000 0.237 135 R C 2.718 179.002 176.300 -0.026 0.000 1.137 135 R CA 2.459 58.531 56.100 -0.048 0.000 0.951 135 R CB -1.169 29.091 30.300 -0.068 0.000 0.851 135 R HN 1.562 nan 8.270 nan 0.000 0.434 136 G N -3.290 105.486 108.800 -0.041 0.000 3.211 136 G HA2 0.232 4.192 3.960 0.001 0.000 0.202 136 G HA3 0.232 4.192 3.960 0.001 0.000 0.202 136 G C 1.721 176.595 174.900 -0.044 0.000 1.035 136 G CA 0.848 45.930 45.100 -0.030 0.000 0.846 136 G HN 1.336 nan 8.290 nan 0.000 0.464 137 A N 0.564 123.376 122.820 -0.012 0.000 1.886 137 A HA -0.137 4.184 4.320 0.001 0.000 0.240 137 A C 1.238 178.608 177.584 -0.357 0.000 1.875 137 A CA 1.955 54.017 52.037 0.042 0.000 0.760 137 A CB -0.856 18.186 19.000 0.069 0.000 0.849 137 A HN 1.012 nan 8.150 nan 0.000 0.505 138 I N -0.109 120.073 120.570 -0.646 0.000 2.321 138 I HA 0.186 4.356 4.170 0.001 0.000 0.291 138 I C -0.153 175.810 176.117 -0.257 0.000 0.998 138 I CA -0.144 60.777 61.300 -0.632 0.000 1.227 138 I CB 1.366 38.937 38.000 -0.716 0.000 1.368 138 I HN 0.326 nan 8.210 nan 0.000 0.466 139 E N 5.199 125.323 120.200 -0.126 0.000 2.351 139 E HA 0.083 4.434 4.350 0.001 0.000 0.236 139 E C -0.087 176.480 176.600 -0.055 0.000 1.341 139 E CA -0.170 56.193 56.400 -0.061 0.000 1.579 139 E CB 0.012 29.707 29.700 -0.008 0.000 1.393 139 E HN 0.663 nan 8.360 nan 0.000 0.438 140 W N 0.073 121.324 121.300 -0.082 0.000 2.485 140 W HA 0.633 5.294 4.660 0.001 0.000 0.364 140 W C 0.747 177.228 176.519 -0.063 0.000 1.171 140 W CA 0.093 57.400 57.345 -0.063 0.000 1.304 140 W CB 0.377 29.795 29.460 -0.071 0.000 1.335 140 W HN 0.235 nan 8.180 nan 0.000 0.643 141 E N -0.428 119.743 120.200 -0.048 0.000 2.714 141 E HA 0.348 4.698 4.350 0.001 0.000 0.240 141 E C 1.075 177.653 176.600 -0.037 0.000 1.102 141 E CA 0.375 56.749 56.400 -0.043 0.000 1.758 141 E CB 0.478 30.159 29.700 -0.032 0.000 2.849 141 E HN 1.863 nan 8.360 nan 0.000 1.071 142 G N 0.526 109.308 108.800 -0.031 0.000 2.655 142 G HA2 0.575 4.535 3.960 0.001 0.000 0.334 142 G HA3 0.575 4.535 3.960 0.001 0.000 0.334 142 G C 1.091 175.975 174.900 -0.028 0.000 1.099 142 G CA 0.341 45.425 45.100 -0.027 0.000 1.075 142 G HN 1.224 nan 8.290 nan 0.000 0.463 143 I N 0.869 121.420 120.570 -0.031 0.000 2.992 143 I HA 0.080 4.250 4.170 0.001 0.000 0.277 143 I C 2.091 178.193 176.117 -0.024 0.000 1.277 143 I CA 2.591 63.874 61.300 -0.029 0.000 1.429 143 I CB -1.667 36.315 38.000 -0.030 0.000 1.104 143 I HN 0.723 nan 8.210 nan 0.000 0.498 144 E N -0.756 119.431 120.200 -0.022 0.000 2.502 144 E HA 0.263 4.614 4.350 0.001 0.000 0.194 144 E C 1.650 178.241 176.600 -0.015 0.000 1.062 144 E CA 0.905 57.295 56.400 -0.018 0.000 0.867 144 E CB -0.133 29.557 29.700 -0.017 0.000 0.888 144 E HN 1.051 nan 8.360 nan 0.000 0.510 145 S N -1.177 114.513 115.700 -0.016 0.000 2.801 145 S HA 0.484 4.954 4.470 0.001 0.000 0.236 145 S C 0.451 175.043 174.600 -0.014 0.000 0.852 145 S CA 0.557 58.749 58.200 -0.012 0.000 1.089 145 S CB -0.247 62.947 63.200 -0.010 0.000 1.376 145 S HN 1.201 nan 8.310 nan 0.000 0.470 146 G N 1.028 109.817 108.800 -0.017 0.000 2.500 146 G HA2 -0.054 3.907 3.960 0.001 0.000 0.227 146 G HA3 -0.054 3.907 3.960 0.001 0.000 0.227 146 G C -0.188 174.694 174.900 -0.031 0.000 1.157 146 G CA -0.137 44.950 45.100 -0.021 0.000 0.945 146 G HN 0.642 nan 8.290 nan 0.000 0.518 147 S N 0.750 116.436 115.700 -0.024 0.000 2.752 147 S HA 0.236 4.706 4.470 0.001 0.000 0.329 147 S C 2.255 176.845 174.600 -0.016 0.000 1.204 147 S CA 0.597 58.783 58.200 -0.023 0.000 1.252 147 S CB -0.003 63.185 63.200 -0.019 0.000 1.053 147 S HN 1.236 nan 8.310 nan 0.000 0.533 148 V N 5.137 125.032 119.914 -0.031 0.000 2.408 148 V HA -0.432 3.689 4.120 0.001 0.000 0.229 148 V C 2.322 178.446 176.094 0.051 0.000 1.002 148 V CA 2.860 65.144 62.300 -0.027 0.000 1.104 148 V CB -1.481 30.340 31.823 -0.003 0.000 0.895 148 V HN 1.003 nan 8.190 nan 0.000 0.495 149 E N -1.017 119.260 120.200 0.127 0.000 2.086 149 E HA -0.344 4.007 4.350 0.001 0.000 0.200 149 E C 2.352 178.984 176.600 0.054 0.000 1.012 149 E CA 2.347 58.833 56.400 0.143 0.000 0.812 149 E CB -0.230 29.480 29.700 0.017 0.000 0.743 149 E HN 0.802 nan 8.360 nan 0.000 0.453 150 Q N -0.250 119.559 119.800 0.015 0.000 2.297 150 Q HA 0.104 4.444 4.340 0.001 0.000 0.204 150 Q C 1.920 177.923 176.000 0.005 0.000 0.962 150 Q CA 1.383 57.187 55.803 0.001 0.000 0.879 150 Q CB -0.415 28.318 28.738 -0.008 0.000 0.947 150 Q HN 0.449 nan 8.270 nan 0.000 0.462 151 A N -0.225 122.591 122.820 -0.007 0.000 2.072 151 A HA 0.209 4.529 4.320 0.001 0.000 0.216 151 A C 2.365 179.920 177.584 -0.048 0.000 1.156 151 A CA 1.286 53.302 52.037 -0.036 0.000 0.701 151 A CB 0.050 19.001 19.000 -0.082 0.000 0.816 151 A HN 0.467 nan 8.150 nan 0.000 0.458 152 V N -0.298 119.596 119.914 -0.033 0.000 2.719 152 V HA -0.122 3.998 4.120 0.001 0.000 0.252 152 V C 2.920 179.014 176.094 0.000 0.000 1.065 152 V CA 1.389 63.645 62.300 -0.075 0.000 1.086 152 V CB -0.929 30.904 31.823 0.017 0.000 0.700 152 V HN 0.571 nan 8.190 nan 0.000 0.467 153 A N 1.905 124.746 122.820 0.036 0.000 1.851 153 A HA -0.256 4.065 4.320 0.001 0.000 0.216 153 A C 2.076 179.723 177.584 0.105 0.000 1.195 153 A CA 2.227 54.296 52.037 0.053 0.000 0.622 153 A CB -0.558 18.461 19.000 0.033 0.000 0.831 153 A HN 0.672 nan 8.150 nan 0.000 0.444 154 K N -1.570 118.892 120.400 0.104 0.000 2.664 154 K HA 0.014 4.334 4.320 0.001 0.000 0.193 154 K C 0.829 177.591 176.600 0.269 0.000 1.028 154 K CA 0.984 57.356 56.287 0.141 0.000 1.005 154 K CB -0.379 32.182 32.500 0.102 0.000 0.815 154 K HN 0.354 nan 8.250 nan 0.000 0.496 155 F N 0.193 120.189 119.950 0.077 0.000 2.414 155 F HA 0.340 4.868 4.527 0.001 0.000 0.255 155 F C 0.646 176.655 175.800 0.348 0.000 1.032 155 F CA -1.059 57.051 58.000 0.184 0.000 1.049 155 F CB -0.087 39.002 39.000 0.147 0.000 1.140 155 F HN -0.142 nan 8.300 nan 0.000 0.643 156 F N 0.643 120.668 119.950 0.124 0.000 2.313 156 F HA 0.202 4.729 4.527 0.001 0.000 0.288 156 F C 1.581 177.394 175.800 0.021 0.000 1.274 156 F CA -0.398 57.600 58.000 -0.003 0.000 1.241 156 F CB -1.000 38.044 39.000 0.074 0.000 1.409 156 F HN -0.163 nan 8.300 nan 0.000 0.511 157 S N -0.498 115.336 115.700 0.224 0.000 2.741 157 S HA 0.674 5.144 4.470 0.001 0.000 0.247 157 S C -0.103 174.570 174.600 0.122 0.000 1.050 157 S CA 0.325 58.600 58.200 0.126 0.000 1.025 157 S CB -0.005 63.233 63.200 0.064 0.000 0.897 157 S HN 0.819 nan 8.310 nan 0.000 0.508 158 A N 0.417 123.341 122.820 0.174 0.000 3.004 158 A HA 0.870 5.190 4.320 0.001 0.000 0.276 158 A C -0.444 177.246 177.584 0.177 0.000 1.011 158 A CA 0.075 52.194 52.037 0.136 0.000 0.550 158 A CB -0.375 18.692 19.000 0.110 0.000 1.607 158 A HN 1.123 nan 8.150 nan 0.000 0.762 159 S N -2.868 112.922 115.700 0.149 0.000 2.630 159 S HA 0.573 5.044 4.470 0.001 0.000 0.278 159 S C -0.007 174.664 174.600 0.118 0.000 1.136 159 S CA 0.675 58.982 58.200 0.178 0.000 1.094 159 S CB -0.509 62.747 63.200 0.094 0.000 1.232 159 S HN 2.539 nan 8.310 nan 0.000 0.452 160 c N 0.992 119.664 118.600 0.120 0.000 3.724 160 c HA 0.679 5.250 4.570 0.001 0.000 0.325 160 c C 0.323 174.440 174.090 0.046 0.000 2.763 160 c CA 0.556 56.928 56.329 0.072 0.000 1.574 160 c CB -0.960 41.606 42.510 0.094 0.000 3.199 160 c HN 1.938 nan 8.230 nan 0.000 0.384 161 V N 3.067 122.974 119.914 -0.013 0.000 2.425 161 V HA 0.371 4.492 4.120 0.001 0.000 0.276 161 V C -1.001 175.001 176.094 -0.152 0.000 1.017 161 V CA -0.742 61.501 62.300 -0.095 0.000 1.062 161 V CB 0.103 31.728 31.823 -0.330 0.000 0.997 161 V HN 0.415 nan 8.190 nan 0.000 0.476 162 P HA 0.050 nan 4.420 nan 0.000 0.297 162 P C 0.501 177.708 177.300 -0.155 0.000 1.544 162 P CA 1.031 64.066 63.100 -0.109 0.000 0.798 162 P CB -0.350 31.307 31.700 -0.072 0.000 1.757 163 G N -0.319 108.346 108.800 -0.224 0.000 3.418 163 G HA2 0.497 4.458 3.960 0.001 0.000 0.325 163 G HA3 0.497 4.458 3.960 0.001 0.000 0.325 163 G C 0.354 175.119 174.900 -0.226 0.000 1.556 163 G CA -0.147 44.805 45.100 -0.246 0.000 1.047 163 G HN 0.320 nan 8.290 nan 0.000 0.500 164 A N 2.144 124.870 122.820 -0.156 0.000 2.911 164 A HA 0.781 5.101 4.320 0.001 0.000 0.202 164 A C 1.785 179.297 177.584 -0.121 0.000 2.026 164 A CA 1.249 53.211 52.037 -0.126 0.000 0.923 164 A CB -0.468 18.478 19.000 -0.090 0.000 1.859 164 A HN 1.390 nan 8.150 nan 0.000 0.782 165 T N -1.663 112.836 114.554 -0.090 0.000 13.275 165 T HA -0.221 4.129 4.350 0.001 0.000 0.419 165 T C 0.709 175.362 174.700 -0.078 0.000 1.444 165 T CA 1.726 63.778 62.100 -0.079 0.000 2.363 165 T CB -1.838 66.979 68.868 -0.085 0.000 2.804 165 T HN 0.604 nan 8.240 nan 0.000 0.610 166 I N 1.756 122.268 120.570 -0.096 0.000 3.619 166 I HA 0.586 4.757 4.170 0.001 0.000 0.284 166 I C 0.876 176.934 176.117 -0.099 0.000 1.240 166 I CA -0.133 61.116 61.300 -0.086 0.000 1.016 166 I CB 0.772 38.721 38.000 -0.087 0.000 1.374 166 I HN 0.750 nan 8.210 nan 0.000 0.553 167 E N 0.584 120.733 120.200 -0.084 0.000 6.993 167 E HA -0.051 4.299 4.350 0.001 0.000 0.276 167 E C -0.005 176.555 176.600 -0.066 0.000 1.113 167 E CA 1.034 57.384 56.400 -0.083 0.000 1.400 167 E CB -1.957 27.657 29.700 -0.143 0.000 0.936 167 E HN 0.735 nan 8.360 nan 0.000 0.285 168 Q N 1.272 121.049 119.800 -0.039 0.000 1.967 168 Q HA 0.585 4.926 4.340 0.001 0.000 0.196 168 Q C 2.220 178.210 176.000 -0.017 0.000 0.978 168 Q CA 2.471 58.259 55.803 -0.026 0.000 0.833 168 Q CB -0.574 28.156 28.738 -0.013 0.000 0.898 168 Q HN 2.349 nan 8.270 nan 0.000 0.446 169 K N 0.461 120.861 120.400 -0.000 0.000 2.054 169 K HA 0.609 4.929 4.320 0.001 0.000 0.242 169 K C -0.139 176.469 176.600 0.014 0.000 1.157 169 K CA 0.611 56.910 56.287 0.020 0.000 1.079 169 K CB -1.075 31.448 32.500 0.039 0.000 1.331 169 K HN 0.931 nan 8.250 nan 0.000 0.317 170 L N 0.354 121.573 121.223 -0.007 0.000 3.042 170 L HA 0.221 4.561 4.340 0.001 0.000 0.227 170 L C -0.148 176.680 176.870 -0.069 0.000 1.134 170 L CA -0.287 54.531 54.840 -0.037 0.000 1.128 170 L CB -0.000 42.010 42.059 -0.081 0.000 1.318 170 L HN 0.618 nan 8.230 nan 0.000 0.665 171 c N -0.807 117.780 118.600 -0.022 0.000 5.477 171 c HA 0.030 4.600 4.570 0.001 0.000 0.287 171 c C 2.150 176.244 174.090 0.005 0.000 1.587 171 c CA 0.668 56.982 56.329 -0.026 0.000 1.976 171 c CB -0.488 41.988 42.510 -0.058 0.000 1.619 171 c HN 0.724 nan 8.230 nan 0.000 0.446 172 R N 0.425 120.936 120.500 0.018 0.000 2.285 172 R HA 0.250 4.591 4.340 0.001 0.000 0.213 172 R C 1.623 177.947 176.300 0.041 0.000 1.068 172 R CA 2.310 58.425 56.100 0.026 0.000 1.004 172 R CB -1.381 28.935 30.300 0.027 0.000 0.873 172 R HN 0.939 nan 8.270 nan 0.000 0.467 173 Q N -1.005 118.830 119.800 0.059 0.000 2.280 173 Q HA 0.400 4.740 4.340 0.001 0.000 0.202 173 Q C 1.122 177.160 176.000 0.063 0.000 0.903 173 Q CA 0.431 56.276 55.803 0.069 0.000 0.948 173 Q CB -1.168 27.630 28.738 0.101 0.000 1.058 173 Q HN 0.745 nan 8.270 nan 0.000 0.493 174 c N 0.446 119.075 118.600 0.047 0.000 2.644 174 c HA 0.787 5.358 4.570 0.001 0.000 0.330 174 c C 0.472 174.582 174.090 0.034 0.000 1.606 174 c CA -0.148 56.205 56.329 0.039 0.000 2.115 174 c CB 0.949 43.470 42.510 0.020 0.000 1.990 174 c HN 0.747 nan 8.230 nan 0.000 0.581 175 K N -0.668 119.747 120.400 0.026 0.000 2.545 175 K HA 0.459 4.779 4.320 0.001 0.000 0.287 175 K C -0.364 176.242 176.600 0.010 0.000 1.074 175 K CA 0.479 56.779 56.287 0.021 0.000 1.048 175 K CB 0.330 32.848 32.500 0.031 0.000 1.384 175 K HN 1.005 nan 8.250 nan 0.000 0.440 176 G N 2.799 111.601 108.800 0.003 0.000 3.353 176 G HA2 0.132 4.092 3.960 0.001 0.000 0.127 176 G HA3 0.132 4.092 3.960 0.001 0.000 0.127 176 G C -1.245 173.652 174.900 -0.006 0.000 1.167 176 G CA -0.068 45.029 45.100 -0.005 0.000 1.459 176 G HN 0.488 nan 8.290 nan 0.000 0.702 177 D N 1.220 121.616 120.400 -0.008 0.000 2.457 177 D HA 0.516 5.157 4.640 0.001 0.000 0.240 177 D C -2.277 174.018 176.300 -0.008 0.000 1.041 177 D CA -1.413 52.582 54.000 -0.008 0.000 0.861 177 D CB 2.973 43.767 40.800 -0.011 0.000 1.394 177 D HN 0.043 nan 8.370 nan 0.000 0.473 178 P HA 0.152 nan 4.420 nan 0.000 0.218 178 P C -0.185 177.109 177.300 -0.011 0.000 1.793 178 P CA 0.198 63.294 63.100 -0.008 0.000 0.941 178 P CB 0.058 31.755 31.700 -0.005 0.000 1.919 179 K N -1.729 118.663 120.400 -0.014 0.000 2.432 179 K HA 0.048 4.368 4.320 0.001 0.000 0.143 179 K C -0.100 176.487 176.600 -0.021 0.000 2.184 179 K CA -0.194 56.083 56.287 -0.017 0.000 1.300 179 K CB -0.493 31.998 32.500 -0.015 0.000 2.435 179 K HN -0.096 nan 8.250 nan 0.000 0.512 180 T N 1.097 115.639 114.554 -0.019 0.000 3.401 180 T HA 0.479 4.830 4.350 0.001 0.000 0.341 180 T C 0.081 174.769 174.700 -0.020 0.000 1.674 180 T CA 0.132 62.219 62.100 -0.022 0.000 1.600 180 T CB 1.352 70.208 68.868 -0.020 0.000 0.974 180 T HN 0.420 nan 8.240 nan 0.000 0.672 181 K N -0.380 120.007 120.400 -0.021 0.000 2.556 181 K HA 0.265 4.585 4.320 0.001 0.000 0.201 181 K C 1.559 178.147 176.600 -0.021 0.000 1.423 181 K CA 0.305 56.583 56.287 -0.016 0.000 1.010 181 K CB -0.452 32.042 32.500 -0.009 0.000 1.409 181 K HN 0.502 nan 8.250 nan 0.000 0.538 182 c N 2.810 121.391 118.600 -0.031 0.000 2.524 182 c HA 0.728 5.298 4.570 0.001 0.000 0.301 182 c C 0.907 174.962 174.090 -0.059 0.000 1.296 182 c CA -0.005 56.297 56.329 -0.046 0.000 1.683 182 c CB -1.966 40.512 42.510 -0.053 0.000 1.764 182 c HN 0.581 nan 8.230 nan 0.000 0.597 183 A N 1.991 124.783 122.820 -0.046 0.000 2.269 183 A HA 0.498 4.818 4.320 0.001 0.000 0.302 183 A C 1.567 179.121 177.584 -0.049 0.000 1.266 183 A CA -0.461 51.546 52.037 -0.049 0.000 0.894 183 A CB 0.396 19.373 19.000 -0.038 0.000 1.147 183 A HN 0.654 nan 8.150 nan 0.000 0.537 184 R N 3.043 123.506 120.500 -0.062 0.000 2.159 184 R HA -0.201 4.140 4.340 0.001 0.000 0.252 184 R C 0.244 176.514 176.300 -0.049 0.000 1.144 184 R CA 2.223 58.286 56.100 -0.063 0.000 0.961 184 R CB -0.926 29.331 30.300 -0.072 0.000 0.877 184 R HN 0.621 nan 8.270 nan 0.000 0.444 185 N N 1.507 120.182 118.700 -0.041 0.000 2.413 185 N HA 0.172 4.912 4.740 0.001 0.000 0.207 185 N C 0.096 175.591 175.510 -0.026 0.000 1.206 185 N CA 0.609 53.640 53.050 -0.032 0.000 0.832 185 N CB 0.322 38.792 38.487 -0.028 0.000 1.037 185 N HN 0.470 nan 8.380 nan 0.000 0.467 186 A N 1.175 123.979 122.820 -0.026 0.000 2.710 186 A HA 0.533 4.853 4.320 0.001 0.000 0.253 186 A C -1.347 176.228 177.584 -0.015 0.000 1.658 186 A CA -0.276 51.749 52.037 -0.020 0.000 0.851 186 A CB 0.050 19.038 19.000 -0.019 0.000 1.658 186 A HN 0.164 nan 8.150 nan 0.000 0.585 187 P HA 0.183 nan 4.420 nan 0.000 0.422 187 P C 0.336 177.642 177.300 0.010 0.000 1.240 187 P CA 0.974 64.069 63.100 -0.008 0.000 1.578 187 P CB 0.231 31.913 31.700 -0.030 0.000 1.537 188 Y N 1.034 121.346 120.300 0.019 0.000 2.471 188 Y HA 0.528 5.078 4.550 0.001 0.000 0.321 188 Y C 1.156 177.110 175.900 0.091 0.000 1.195 188 Y CA 0.234 58.375 58.100 0.068 0.000 1.272 188 Y CB -0.926 37.570 38.460 0.059 0.000 1.097 188 Y HN 0.240 nan 8.280 nan 0.000 0.507 189 S N -1.845 113.896 115.700 0.067 0.000 2.874 189 S HA 0.877 5.347 4.470 0.001 0.000 0.318 189 S C 0.677 175.298 174.600 0.036 0.000 1.109 189 S CA -0.349 57.883 58.200 0.053 0.000 0.878 189 S CB 1.465 64.673 63.200 0.013 0.000 1.307 189 S HN 2.193 nan 8.310 nan 0.000 0.592 190 G N 0.624 109.401 108.800 -0.037 0.000 2.498 190 G HA2 -0.229 3.731 3.960 0.001 0.000 0.245 190 G HA3 -0.229 3.731 3.960 0.001 0.000 0.245 190 G C 0.248 175.105 174.900 -0.072 0.000 1.204 190 G CA 0.411 45.387 45.100 -0.207 0.000 0.933 190 G HN 1.494 nan 8.290 nan 0.000 0.574 191 Y N -0.784 119.564 120.300 0.079 0.000 2.382 191 Y HA 0.327 4.877 4.550 0.001 0.000 0.292 191 Y C 3.209 179.185 175.900 0.127 0.000 1.151 191 Y CA 1.094 59.246 58.100 0.087 0.000 1.198 191 Y CB -0.990 37.513 38.460 0.071 0.000 1.195 191 Y HN 0.864 nan 8.280 nan 0.000 0.530 192 S N 1.515 117.648 115.700 0.722 0.000 2.378 192 S HA -0.203 4.267 4.470 0.001 0.000 0.221 192 S C 2.244 177.072 174.600 0.380 0.000 1.037 192 S CA 1.343 59.754 58.200 0.352 0.000 1.069 192 S CB -1.716 61.660 63.200 0.294 0.000 1.006 192 S HN 0.609 nan 8.310 nan 0.000 0.423 193 G N 1.910 110.927 108.800 0.363 0.000 2.503 193 G HA2 -0.089 3.871 3.960 0.001 0.000 0.221 193 G HA3 -0.089 3.871 3.960 0.001 0.000 0.221 193 G C 1.713 176.782 174.900 0.283 0.000 1.131 193 G CA 1.379 46.680 45.100 0.335 0.000 0.756 193 G HN 1.016 nan 8.290 nan 0.000 0.572 194 A N -0.283 122.670 122.820 0.222 0.000 2.139 194 A HA -0.001 4.319 4.320 0.001 0.000 0.221 194 A C 2.096 179.724 177.584 0.073 0.000 1.159 194 A CA 1.482 53.602 52.037 0.137 0.000 0.662 194 A CB -0.472 18.604 19.000 0.126 0.000 0.796 194 A HN 0.414 nan 8.150 nan 0.000 0.463 195 F N -0.524 119.411 119.950 -0.026 0.000 2.270 195 F HA -0.003 4.525 4.527 0.001 0.000 0.295 195 F C 1.302 176.959 175.800 -0.238 0.000 1.087 195 F CA 0.708 58.594 58.000 -0.191 0.000 1.365 195 F CB 0.074 38.911 39.000 -0.272 0.000 1.056 195 F HN 0.271 nan 8.300 nan 0.000 0.506 196 H N -0.472 118.714 119.070 0.194 0.000 3.460 196 H HA 0.111 4.668 4.556 0.001 0.000 0.238 196 H C 0.587 175.948 175.328 0.056 0.000 1.752 196 H CA 0.724 56.840 56.048 0.113 0.000 1.503 196 H CB 0.186 30.006 29.762 0.096 0.000 1.830 196 H HN 0.424 nan 8.280 nan 0.000 0.614 197 c N 1.626 120.260 118.600 0.057 0.000 5.583 197 c HA -0.104 4.466 4.570 0.001 0.000 0.326 197 c C 1.638 175.696 174.090 -0.053 0.000 0.655 197 c CA -0.165 56.182 56.329 0.029 0.000 2.354 197 c CB -0.639 41.899 42.510 0.046 0.000 2.099 197 c HN 0.525 nan 8.230 nan 0.000 0.327 198 L N 2.245 123.357 121.223 -0.186 0.000 2.567 198 L HA 0.511 4.851 4.340 0.001 0.000 0.225 198 L C 1.922 178.573 176.870 -0.366 0.000 1.119 198 L CA 2.422 57.094 54.840 -0.281 0.000 0.871 198 L CB -0.311 41.487 42.059 -0.435 0.000 1.036 198 L HN 0.430 nan 8.230 nan 0.000 0.459 199 K N -1.857 118.352 120.400 -0.319 0.000 2.367 199 K HA 0.187 4.507 4.320 0.001 0.000 0.195 199 K C 1.491 178.093 176.600 0.003 0.000 1.060 199 K CA 0.859 57.010 56.287 -0.226 0.000 1.022 199 K CB -0.349 32.091 32.500 -0.100 0.000 0.894 199 K HN 0.307 nan 8.250 nan 0.000 0.540 200 D N -0.574 119.833 120.400 0.013 0.000 2.146 200 D HA 0.116 4.756 4.640 0.001 0.000 0.209 200 D C 1.498 177.829 176.300 0.052 0.000 0.973 200 D CA 2.328 56.364 54.000 0.061 0.000 0.860 200 D CB 0.645 41.493 40.800 0.080 0.000 1.015 200 D HN 0.532 nan 8.370 nan 0.000 0.465 201 G N -0.585 108.236 108.800 0.035 0.000 3.259 201 G HA2 -0.141 3.820 3.960 0.001 0.000 0.217 201 G HA3 -0.141 3.820 3.960 0.001 0.000 0.217 201 G C 0.090 175.011 174.900 0.034 0.000 0.993 201 G CA -0.494 44.628 45.100 0.037 0.000 0.836 201 G HN 0.060 nan 8.290 nan 0.000 0.514 202 K N 1.683 122.105 120.400 0.037 0.000 2.349 202 K HA 0.577 4.898 4.320 0.001 0.000 0.288 202 K C 0.938 177.563 176.600 0.043 0.000 1.058 202 K CA 1.575 57.887 56.287 0.042 0.000 0.953 202 K CB 0.809 33.339 32.500 0.050 0.000 0.997 202 K HN 1.401 nan 8.250 nan 0.000 0.477 203 G N 2.615 111.443 108.800 0.047 0.000 2.512 203 G HA2 -0.204 3.757 3.960 0.001 0.000 0.210 203 G HA3 -0.204 3.757 3.960 0.001 0.000 0.210 203 G C -0.229 174.687 174.900 0.026 0.000 1.295 203 G CA -0.014 45.117 45.100 0.052 0.000 0.934 203 G HN 0.561 nan 8.290 nan 0.000 0.554 204 D N -2.242 118.166 120.400 0.014 0.000 2.059 204 D HA 0.354 4.994 4.640 0.001 0.000 0.398 204 D C 0.242 176.593 176.300 0.085 0.000 1.003 204 D CA 1.208 55.243 54.000 0.057 0.000 0.916 204 D CB 1.428 42.219 40.800 -0.015 0.000 1.647 204 D HN 1.074 nan 8.370 nan 0.000 0.529 205 V N -0.039 119.863 119.914 -0.020 0.000 3.078 205 V HA 0.887 5.008 4.120 0.001 0.000 0.311 205 V C -1.853 174.118 176.094 -0.206 0.000 1.138 205 V CA -0.650 61.570 62.300 -0.133 0.000 1.007 205 V CB 2.070 33.757 31.823 -0.227 0.000 1.045 205 V HN 0.040 nan 8.190 nan 0.000 0.432 206 A N 4.323 126.927 122.820 -0.360 0.000 2.385 206 A HA 0.786 5.106 4.320 0.001 0.000 0.290 206 A C -1.300 176.052 177.584 -0.387 0.000 1.094 206 A CA -0.336 51.523 52.037 -0.296 0.000 0.729 206 A CB 0.779 19.598 19.000 -0.302 0.000 1.194 206 A HN 0.780 nan 8.150 nan 0.000 0.442 207 F N 3.308 123.071 119.950 -0.312 0.000 2.462 207 F HA 0.374 4.901 4.527 0.001 0.000 0.354 207 F C 0.805 176.507 175.800 -0.164 0.000 1.192 207 F CA 0.037 57.852 58.000 -0.309 0.000 1.173 207 F CB 0.387 39.109 39.000 -0.463 0.000 1.402 207 F HN 0.343 nan 8.300 nan 0.000 0.595 208 V N 1.814 121.736 119.914 0.015 0.000 4.219 208 V HA 0.372 4.492 4.120 0.001 0.000 0.275 208 V C 0.431 176.596 176.094 0.118 0.000 1.240 208 V CA -1.066 61.294 62.300 0.101 0.000 0.821 208 V CB 1.080 32.971 31.823 0.114 0.000 1.250 208 V HN 0.373 nan 8.190 nan 0.000 0.428 209 K N -0.727 119.757 120.400 0.139 0.000 2.238 209 K HA 0.523 4.843 4.320 0.001 0.000 0.239 209 K C -0.175 176.446 176.600 0.036 0.000 0.987 209 K CA -0.412 55.937 56.287 0.104 0.000 0.857 209 K CB 1.148 33.727 32.500 0.132 0.000 1.154 209 K HN 0.927 nan 8.250 nan 0.000 0.439 210 H N 0.605 119.673 119.070 -0.003 0.000 3.145 210 H HA 0.057 4.614 4.556 0.001 0.000 0.288 210 H C -0.235 174.973 175.328 -0.199 0.000 0.969 210 H CA 0.801 56.762 56.048 -0.145 0.000 1.444 210 H CB -0.756 28.877 29.762 -0.215 0.000 1.500 210 H HN 0.583 nan 8.280 nan 0.000 0.552 211 T N 2.887 117.355 114.554 -0.144 0.000 1.803 211 T HA -0.151 4.200 4.350 0.001 0.000 0.613 211 T C 1.027 175.695 174.700 -0.054 0.000 0.923 211 T CA 1.375 63.434 62.100 -0.069 0.000 3.257 211 T CB -1.486 67.305 68.868 -0.128 0.000 1.901 211 T HN 1.354 nan 8.240 nan 0.000 0.423 212 T N -0.870 113.683 114.554 -0.002 0.000 3.680 212 T HA 0.066 4.416 4.350 0.001 0.000 0.299 212 T C 1.892 176.587 174.700 -0.008 0.000 0.922 212 T CA 0.352 62.430 62.100 -0.035 0.000 1.100 212 T CB -0.117 68.751 68.868 0.001 0.000 1.149 212 T HN 0.386 nan 8.240 nan 0.000 0.507 213 V N 3.359 123.360 119.914 0.145 0.000 2.370 213 V HA -0.270 3.850 4.120 0.001 0.000 0.252 213 V C 2.534 178.611 176.094 -0.027 0.000 1.068 213 V CA 2.141 64.551 62.300 0.184 0.000 1.061 213 V CB -0.895 31.184 31.823 0.428 0.000 0.656 213 V HN 0.493 nan 8.190 nan 0.000 0.455 214 N N -0.005 118.708 118.700 0.020 0.000 2.058 214 N HA -0.176 4.565 4.740 0.001 0.000 0.191 214 N C 1.945 177.421 175.510 -0.057 0.000 1.037 214 N CA 1.759 54.807 53.050 -0.004 0.000 0.848 214 N CB -0.135 38.367 38.487 0.024 0.000 1.021 214 N HN 0.617 nan 8.380 nan 0.000 0.422 215 E N 0.616 120.767 120.200 -0.082 0.000 2.118 215 E HA -0.117 4.234 4.350 0.001 0.000 0.195 215 E C 1.456 177.979 176.600 -0.128 0.000 0.992 215 E CA 0.631 56.968 56.400 -0.104 0.000 0.804 215 E CB 0.025 29.640 29.700 -0.142 0.000 0.741 215 E HN 0.379 nan 8.360 nan 0.000 0.458 216 N N 0.579 119.162 118.700 -0.195 0.000 2.058 216 N HA -0.067 4.674 4.740 0.001 0.000 0.180 216 N C 0.475 175.858 175.510 -0.211 0.000 1.097 216 N CA 0.838 53.719 53.050 -0.282 0.000 0.921 216 N CB -0.115 37.993 38.487 -0.633 0.000 1.033 216 N HN -0.020 nan 8.380 nan 0.000 0.437 217 A N 2.252 124.922 122.820 -0.251 0.000 3.016 217 A HA 0.249 4.569 4.320 0.001 0.000 0.303 217 A C -1.834 175.717 177.584 -0.055 0.000 1.507 217 A CA -1.291 50.674 52.037 -0.120 0.000 1.196 217 A CB 0.126 19.074 19.000 -0.087 0.000 1.169 217 A HN 0.309 nan 8.150 nan 0.000 0.544 218 P HA -0.116 nan 4.420 nan 0.000 0.274 218 P C 0.054 177.347 177.300 -0.012 0.000 1.370 218 P CA 0.810 63.900 63.100 -0.018 0.000 0.760 218 P CB 0.402 32.090 31.700 -0.020 0.000 1.308 219 D N -0.109 120.282 120.400 -0.015 0.000 2.999 219 D HA -0.011 4.630 4.640 0.001 0.000 0.273 219 D C 0.765 177.054 176.300 -0.018 0.000 1.485 219 D CA 0.528 54.519 54.000 -0.015 0.000 1.101 219 D CB -0.429 40.361 40.800 -0.016 0.000 1.109 219 D HN 0.065 nan 8.370 nan 0.000 0.368 220 Q N 0.389 120.180 119.800 -0.016 0.000 2.432 220 Q HA 0.332 4.673 4.340 0.001 0.000 0.264 220 Q C 0.894 176.865 176.000 -0.049 0.000 1.035 220 Q CA 0.912 56.685 55.803 -0.050 0.000 0.908 220 Q CB 0.288 29.009 28.738 -0.027 0.000 1.280 220 Q HN 0.629 nan 8.270 nan 0.000 0.455 221 K N -1.966 118.332 120.400 -0.171 0.000 3.172 221 K HA 0.113 4.434 4.320 0.001 0.000 0.237 221 K C 1.833 178.273 176.600 -0.267 0.000 2.324 221 K CA 0.733 56.944 56.287 -0.127 0.000 1.521 221 K CB -0.569 31.920 32.500 -0.018 0.000 2.603 221 K HN 0.596 nan 8.250 nan 0.000 0.537 222 D N 1.492 121.777 120.400 -0.190 0.000 2.286 222 D HA -0.305 4.335 4.640 0.001 0.000 0.195 222 D C 2.031 178.188 176.300 -0.239 0.000 1.012 222 D CA 3.106 57.005 54.000 -0.170 0.000 0.901 222 D CB -1.018 39.707 40.800 -0.125 0.000 0.903 222 D HN 0.649 nan 8.370 nan 0.000 0.451 223 E N -0.832 119.106 120.200 -0.437 0.000 2.106 223 E HA 0.156 4.507 4.350 0.001 0.000 0.192 223 E C 0.831 177.237 176.600 -0.324 0.000 0.984 223 E CA 1.083 57.217 56.400 -0.444 0.000 0.806 223 E CB -0.653 28.666 29.700 -0.636 0.000 0.750 223 E HN 1.031 nan 8.360 nan 0.000 0.458 224 Y N 0.334 120.632 120.300 -0.003 0.000 2.402 224 Y HA 0.529 5.080 4.550 0.001 0.000 0.325 224 Y C -0.290 175.593 175.900 -0.028 0.000 1.009 224 Y CA -1.943 56.132 58.100 -0.042 0.000 1.278 224 Y CB 0.856 39.267 38.460 -0.081 0.000 1.105 224 Y HN 0.086 nan 8.280 nan 0.000 0.476 225 E N 4.025 124.251 120.200 0.043 0.000 2.202 225 E HA 0.401 4.751 4.350 0.001 0.000 0.272 225 E C -0.390 176.219 176.600 0.014 0.000 0.951 225 E CA -0.742 55.673 56.400 0.025 0.000 0.813 225 E CB 1.698 31.389 29.700 -0.016 0.000 1.151 225 E HN 0.755 nan 8.360 nan 0.000 0.398 226 L N 0.127 121.369 121.223 0.032 0.000 2.289 226 L HA 0.125 4.465 4.340 0.001 0.000 0.242 226 L C 0.559 177.442 176.870 0.021 0.000 1.254 226 L CA 0.929 55.789 54.840 0.034 0.000 0.809 226 L CB -0.652 41.449 42.059 0.070 0.000 1.079 226 L HN 0.690 nan 8.230 nan 0.000 0.636 227 L N -0.505 120.757 121.223 0.065 0.000 2.661 227 L HA 0.441 4.781 4.340 0.001 0.000 0.263 227 L C -0.132 176.842 176.870 0.173 0.000 0.956 227 L CA -1.024 53.872 54.840 0.093 0.000 0.918 227 L CB 0.441 42.563 42.059 0.106 0.000 1.280 227 L HN 0.779 nan 8.230 nan 0.000 0.416 228 c N 0.999 119.668 118.600 0.115 0.000 2.560 228 c HA 0.635 5.206 4.570 0.001 0.000 0.334 228 c C 2.182 176.294 174.090 0.037 0.000 1.404 228 c CA -0.052 56.335 56.329 0.097 0.000 2.410 228 c CB 0.710 43.253 42.510 0.055 0.000 2.268 228 c HN 0.959 nan 8.230 nan 0.000 0.673 229 L N 0.757 121.944 121.223 -0.059 0.000 2.253 229 L HA 0.020 4.361 4.340 0.001 0.000 0.205 229 L C 1.821 178.634 176.870 -0.095 0.000 1.078 229 L CA 0.943 55.670 54.840 -0.189 0.000 0.805 229 L CB -0.438 41.452 42.059 -0.282 0.000 0.963 229 L HN 0.787 nan 8.230 nan 0.000 0.459 230 D N 0.881 121.254 120.400 -0.045 0.000 2.941 230 D HA -0.050 4.590 4.640 0.001 0.000 0.236 230 D C 1.149 177.446 176.300 -0.004 0.000 1.147 230 D CA 0.690 54.678 54.000 -0.020 0.000 0.975 230 D CB -0.264 40.533 40.800 -0.005 0.000 1.162 230 D HN 0.321 nan 8.370 nan 0.000 0.444 231 G N 0.582 109.380 108.800 -0.002 0.000 2.280 231 G HA2 -0.370 3.590 3.960 0.001 0.000 0.282 231 G HA3 -0.370 3.590 3.960 0.001 0.000 0.282 231 G C 0.434 175.342 174.900 0.015 0.000 1.000 231 G CA 1.033 46.142 45.100 0.015 0.000 0.751 231 G HN 0.752 nan 8.290 nan 0.000 0.515 232 S N -0.996 114.712 115.700 0.013 0.000 2.690 232 S HA 0.939 5.409 4.470 0.001 0.000 0.285 232 S C 0.236 174.842 174.600 0.010 0.000 1.135 232 S CA 1.092 59.298 58.200 0.009 0.000 1.020 232 S CB 1.681 64.887 63.200 0.010 0.000 1.159 232 S HN 1.956 nan 8.310 nan 0.000 0.534 233 R N -0.382 120.119 120.500 0.002 0.000 2.725 233 R HA 0.679 5.020 4.340 0.001 0.000 0.276 233 R C -0.432 175.864 176.300 -0.007 0.000 1.189 233 R CA 0.019 56.116 56.100 -0.006 0.000 1.083 233 R CB -0.226 30.051 30.300 -0.038 0.000 1.262 233 R HN 1.341 nan 8.270 nan 0.000 0.415 234 Q N 2.903 122.705 119.800 0.003 0.000 3.018 234 Q HA 0.895 5.236 4.340 0.001 0.000 0.209 234 Q C -1.995 174.001 176.000 -0.008 0.000 1.036 234 Q CA -0.374 55.427 55.803 -0.004 0.000 0.886 234 Q CB 0.505 29.244 28.738 0.002 0.000 2.058 234 Q HN 0.677 nan 8.270 nan 0.000 0.452 235 P HA 0.418 nan 4.420 nan 0.000 0.345 235 P C 0.211 177.517 177.300 0.009 0.000 1.344 235 P CA 0.364 63.457 63.100 -0.013 0.000 0.803 235 P CB 0.453 32.136 31.700 -0.028 0.000 1.876 236 V N -1.313 118.612 119.914 0.018 0.000 3.219 236 V HA 0.034 4.154 4.120 0.001 0.000 0.240 236 V C 1.628 177.767 176.094 0.075 0.000 1.222 236 V CA 1.007 63.346 62.300 0.065 0.000 1.181 236 V CB -0.950 30.929 31.823 0.093 0.000 0.941 236 V HN 0.207 nan 8.190 nan 0.000 0.471 237 D N 1.797 122.205 120.400 0.014 0.000 2.371 237 D HA 0.022 4.663 4.640 0.001 0.000 0.221 237 D C 1.187 177.313 176.300 -0.289 0.000 0.986 237 D CA 1.045 55.024 54.000 -0.034 0.000 0.899 237 D CB -0.520 40.248 40.800 -0.053 0.000 0.902 237 D HN 0.607 nan 8.370 nan 0.000 0.530 238 N N 0.292 118.868 118.700 -0.207 0.000 3.322 238 N HA 0.165 4.906 4.740 0.001 0.000 0.290 238 N C 0.612 176.005 175.510 -0.195 0.000 1.297 238 N CA -0.468 52.408 53.050 -0.290 0.000 1.167 238 N CB -0.990 37.408 38.487 -0.148 0.000 1.434 238 N HN 0.211 nan 8.380 nan 0.000 0.526 239 Y N -0.690 119.558 120.300 -0.087 0.000 2.138 239 Y HA 0.094 4.644 4.550 0.001 0.000 0.286 239 Y C 2.704 178.522 175.900 -0.136 0.000 1.115 239 Y CA 1.201 59.249 58.100 -0.086 0.000 1.105 239 Y CB -0.772 37.623 38.460 -0.110 0.000 1.004 239 Y HN 0.367 nan 8.280 nan 0.000 0.494 240 K N 0.439 120.753 120.400 -0.143 0.000 2.397 240 K HA -0.194 4.127 4.320 0.001 0.000 0.202 240 K C 1.777 178.421 176.600 0.073 0.000 1.043 240 K CA 2.349 58.480 56.287 -0.260 0.000 0.934 240 K CB -1.984 30.314 32.500 -0.337 0.000 0.743 240 K HN 0.670 nan 8.250 nan 0.000 0.485 241 T N -2.035 112.530 114.554 0.018 0.000 3.014 241 T HA 0.218 4.569 4.350 0.001 0.000 0.250 241 T C 0.169 174.920 174.700 0.085 0.000 1.060 241 T CA 0.574 62.701 62.100 0.046 0.000 1.040 241 T CB 0.062 68.924 68.868 -0.010 0.000 0.971 241 T HN 0.522 nan 8.240 nan 0.000 0.497 242 c N 4.090 122.764 118.600 0.123 0.000 3.328 242 c HA 0.520 5.091 4.570 0.001 0.000 0.230 242 c C -0.099 174.135 174.090 0.240 0.000 1.232 242 c CA -1.570 54.849 56.329 0.150 0.000 1.431 242 c CB -1.109 41.465 42.510 0.107 0.000 1.818 242 c HN 0.612 nan 8.230 nan 0.000 0.484 243 N N -1.070 117.804 118.700 0.290 0.000 2.761 243 N HA 0.437 5.178 4.740 0.001 0.000 0.283 243 N C -0.193 175.574 175.510 0.429 0.000 1.377 243 N CA -0.719 52.567 53.050 0.394 0.000 0.791 243 N CB 0.781 39.516 38.487 0.412 0.000 1.540 243 N HN 0.273 nan 8.380 nan 0.000 0.539 244 W N -0.437 120.938 121.300 0.124 0.000 2.792 244 W HA 0.683 5.344 4.660 0.001 0.000 0.262 244 W C 0.152 176.690 176.519 0.030 0.000 1.212 244 W CA 1.147 58.544 57.345 0.086 0.000 1.433 244 W CB 0.138 29.671 29.460 0.121 0.000 1.004 244 W HN 0.858 nan 8.180 nan 0.000 0.608 245 A N 0.492 123.469 122.820 0.263 0.000 2.590 245 A HA 0.575 4.896 4.320 0.001 0.000 0.296 245 A C -1.226 176.360 177.584 0.003 0.000 1.050 245 A CA -0.919 51.176 52.037 0.098 0.000 0.697 245 A CB 0.998 20.047 19.000 0.082 0.000 1.277 245 A HN -0.055 nan 8.150 nan 0.000 0.411 246 R N 1.234 121.650 120.500 -0.139 0.000 2.532 246 R HA 0.713 5.054 4.340 0.001 0.000 0.295 246 R C -1.090 175.082 176.300 -0.214 0.000 0.968 246 R CA -0.049 55.848 56.100 -0.338 0.000 0.916 246 R CB 1.400 31.275 30.300 -0.708 0.000 1.124 246 R HN 1.477 nan 8.270 nan 0.000 0.463 247 V N 1.033 120.838 119.914 -0.182 0.000 2.357 247 V HA 0.734 4.854 4.120 0.001 0.000 0.284 247 V C 0.257 176.256 176.094 -0.158 0.000 1.018 247 V CA -0.851 61.372 62.300 -0.129 0.000 0.841 247 V CB 0.895 32.692 31.823 -0.042 0.000 0.991 247 V HN 0.906 nan 8.190 nan 0.000 0.437 248 A N 4.725 127.391 122.820 -0.257 0.000 2.386 248 A HA 0.834 5.154 4.320 0.001 0.000 0.248 248 A C 0.977 178.486 177.584 -0.126 0.000 1.082 248 A CA 0.136 52.002 52.037 -0.286 0.000 0.789 248 A CB 0.465 19.026 19.000 -0.731 0.000 1.025 248 A HN 2.153 nan 8.150 nan 0.000 0.490 249 A N 0.950 123.761 122.820 -0.015 0.000 2.475 249 A HA 0.386 4.707 4.320 0.001 0.000 0.239 249 A C 0.078 177.771 177.584 0.182 0.000 1.087 249 A CA -0.240 51.796 52.037 -0.003 0.000 0.779 249 A CB -0.384 18.594 19.000 -0.035 0.000 1.036 249 A HN 0.865 nan 8.150 nan 0.000 0.506 250 H N 0.584 119.688 119.070 0.057 0.000 3.138 250 H HA 0.344 4.900 4.556 0.001 0.000 0.275 250 H C 1.132 176.496 175.328 0.060 0.000 0.997 250 H CA 0.222 56.303 56.048 0.054 0.000 1.460 250 H CB -0.665 29.093 29.762 -0.006 0.000 1.524 250 H HN 0.787 nan 8.280 nan 0.000 0.532 251 A N 3.433 126.417 122.820 0.274 0.000 2.394 251 A HA 0.276 4.596 4.320 0.001 0.000 0.256 251 A C 0.143 177.694 177.584 -0.055 0.000 1.700 251 A CA 0.060 52.144 52.037 0.078 0.000 0.887 251 A CB 0.213 19.233 19.000 0.034 0.000 1.487 251 A HN 0.498 nan 8.150 nan 0.000 0.641 252 V N 0.140 119.982 119.914 -0.120 0.000 2.675 252 V HA 0.253 4.373 4.120 0.001 0.000 0.266 252 V C -0.843 175.158 176.094 -0.155 0.000 0.974 252 V CA -0.482 61.734 62.300 -0.140 0.000 0.890 252 V CB 1.133 32.880 31.823 -0.127 0.000 1.055 252 V HN 0.607 nan 8.190 nan 0.000 0.477 253 V N 3.426 123.238 119.914 -0.169 0.000 2.530 253 V HA 0.875 4.995 4.120 0.001 0.000 0.282 253 V C 0.615 176.598 176.094 -0.185 0.000 1.048 253 V CA 0.363 62.571 62.300 -0.153 0.000 0.997 253 V CB 1.038 32.781 31.823 -0.133 0.000 0.987 253 V HN 0.958 nan 8.190 nan 0.000 0.477 254 A N 3.726 126.465 122.820 -0.136 0.000 2.588 254 A HA 0.928 5.248 4.320 0.001 0.000 0.290 254 A C 0.033 177.566 177.584 -0.085 0.000 1.136 254 A CA -0.485 51.477 52.037 -0.125 0.000 0.681 254 A CB 1.107 20.046 19.000 -0.103 0.000 1.282 254 A HN 1.170 nan 8.150 nan 0.000 0.421 255 R N 1.040 121.496 120.500 -0.073 0.000 2.351 255 R HA 0.421 4.761 4.340 0.001 0.000 0.318 255 R C -0.282 176.002 176.300 -0.027 0.000 1.055 255 R CA 0.307 56.378 56.100 -0.048 0.000 0.968 255 R CB -0.379 29.894 30.300 -0.045 0.000 0.974 255 R HN 0.716 nan 8.270 nan 0.000 0.439 256 D N 2.438 122.827 120.400 -0.019 0.000 2.359 256 D HA 0.045 4.685 4.640 0.001 0.000 0.250 256 D C -0.352 175.946 176.300 -0.003 0.000 1.264 256 D CA 0.743 54.738 54.000 -0.009 0.000 0.911 256 D CB 0.500 41.295 40.800 -0.007 0.000 1.056 256 D HN 0.788 nan 8.370 nan 0.000 0.499 257 D N 2.360 122.761 120.400 0.001 0.000 2.035 257 D HA -0.078 4.563 4.640 0.001 0.000 0.054 257 D C 0.142 176.447 176.300 0.009 0.000 1.433 257 D CA -0.317 53.686 54.000 0.005 0.000 0.989 257 D CB 0.013 40.815 40.800 0.004 0.000 2.958 257 D HN 0.311 nan 8.370 nan 0.000 0.194 258 N N 0.251 118.958 118.700 0.011 0.000 2.104 258 N HA 0.139 4.880 4.740 0.001 0.000 0.225 258 N C -0.452 175.073 175.510 0.024 0.000 1.309 258 N CA -0.455 52.605 53.050 0.016 0.000 0.944 258 N CB 0.812 39.308 38.487 0.015 0.000 1.225 258 N HN 0.078 nan 8.380 nan 0.000 0.350 259 K N 1.578 121.994 120.400 0.027 0.000 2.255 259 K HA -0.104 4.216 4.320 0.001 0.000 0.245 259 K C 0.415 177.042 176.600 0.045 0.000 1.352 259 K CA -0.174 56.136 56.287 0.038 0.000 1.315 259 K CB -0.134 32.387 32.500 0.035 0.000 0.732 259 K HN 0.210 nan 8.250 nan 0.000 0.526 260 V N 1.931 121.882 119.914 0.060 0.000 2.784 260 V HA -0.123 3.997 4.120 0.001 0.000 0.231 260 V C 2.650 178.824 176.094 0.133 0.000 1.128 260 V CA 1.730 64.076 62.300 0.077 0.000 1.178 260 V CB -0.221 31.647 31.823 0.075 0.000 0.943 260 V HN 0.807 nan 8.190 nan 0.000 0.500 261 E N 0.268 120.561 120.200 0.154 0.000 2.160 261 E HA -0.338 4.012 4.350 0.001 0.000 0.195 261 E C 1.480 178.200 176.600 0.200 0.000 0.991 261 E CA 1.741 58.273 56.400 0.221 0.000 0.810 261 E CB -0.904 28.873 29.700 0.129 0.000 0.742 261 E HN 0.713 nan 8.360 nan 0.000 0.466 262 D N -0.692 119.787 120.400 0.132 0.000 2.417 262 D HA -0.044 4.596 4.640 0.001 0.000 0.225 262 D C 1.351 177.735 176.300 0.140 0.000 0.983 262 D CA 0.752 54.821 54.000 0.115 0.000 0.949 262 D CB -0.032 40.817 40.800 0.081 0.000 0.879 262 D HN 0.682 nan 8.370 nan 0.000 0.520 263 I N -2.644 118.030 120.570 0.174 0.000 3.873 263 I HA 0.044 4.214 4.170 0.001 0.000 0.284 263 I C 2.010 178.273 176.117 0.244 0.000 1.186 263 I CA -0.379 61.026 61.300 0.176 0.000 1.362 263 I CB -0.115 37.953 38.000 0.114 0.000 1.432 263 I HN 0.001 nan 8.210 nan 0.000 0.454 264 W N 3.006 124.355 121.300 0.080 0.000 2.315 264 W HA -0.341 4.319 4.660 0.001 0.000 0.323 264 W C 2.964 179.537 176.519 0.090 0.000 1.233 264 W CA 2.755 60.150 57.345 0.083 0.000 1.267 264 W CB 0.058 29.551 29.460 0.056 0.000 1.160 264 W HN 0.227 nan 8.180 nan 0.000 0.474 265 S N 0.046 116.041 115.700 0.491 0.000 2.414 265 S HA -0.401 4.070 4.470 0.001 0.000 0.225 265 S C 2.130 176.887 174.600 0.261 0.000 1.041 265 S CA 2.156 60.532 58.200 0.294 0.000 1.114 265 S CB -2.107 61.189 63.200 0.160 0.000 1.064 265 S HN 0.519 nan 8.310 nan 0.000 0.420 266 F N 1.968 122.041 119.950 0.205 0.000 2.440 266 F HA 0.322 4.849 4.527 0.001 0.000 0.297 266 F C 2.805 178.720 175.800 0.190 0.000 1.077 266 F CA 1.659 59.760 58.000 0.168 0.000 1.462 266 F CB -1.689 37.403 39.000 0.153 0.000 1.101 266 F HN 0.608 nan 8.300 nan 0.000 0.584 267 L N -1.997 119.379 121.223 0.255 0.000 2.453 267 L HA 0.209 4.549 4.340 0.001 0.000 0.190 267 L C 2.467 179.532 176.870 0.325 0.000 1.093 267 L CA 1.552 56.547 54.840 0.258 0.000 0.834 267 L CB -1.464 40.711 42.059 0.195 0.000 1.090 267 L HN 0.335 nan 8.230 nan 0.000 0.489 268 S N -0.127 115.888 115.700 0.524 0.000 2.393 268 S HA -0.353 4.117 4.470 0.001 0.000 0.235 268 S C 2.493 177.253 174.600 0.268 0.000 1.061 268 S CA 3.955 62.479 58.200 0.539 0.000 1.129 268 S CB -0.456 62.964 63.200 0.365 0.000 1.011 268 S HN 1.033 nan 8.310 nan 0.000 0.436 269 K N 0.891 121.402 120.400 0.185 0.000 1.967 269 K HA 0.229 4.549 4.320 0.001 0.000 0.212 269 K C 2.473 179.131 176.600 0.096 0.000 1.044 269 K CA 1.909 58.261 56.287 0.109 0.000 0.942 269 K CB -1.774 30.775 32.500 0.082 0.000 0.726 269 K HN 0.674 nan 8.250 nan 0.000 0.440 270 A N 0.935 123.812 122.820 0.096 0.000 1.957 270 A HA -0.390 3.931 4.320 0.001 0.000 0.224 270 A C 2.317 179.930 177.584 0.049 0.000 1.287 270 A CA 2.774 54.847 52.037 0.061 0.000 0.682 270 A CB -0.900 18.140 19.000 0.067 0.000 0.833 270 A HN 0.790 nan 8.150 nan 0.000 0.482 271 Q N -1.113 118.753 119.800 0.109 0.000 1.073 271 Q HA -0.187 4.154 4.340 0.001 0.000 0.759 271 Q C 2.183 178.193 176.000 0.017 0.000 0.907 271 Q CA 1.676 57.537 55.803 0.096 0.000 0.889 271 Q CB -0.477 28.407 28.738 0.243 0.000 0.934 271 Q HN 0.612 nan 8.270 nan 0.000 0.276 272 S N 0.206 115.943 115.700 0.063 0.000 2.511 272 S HA -0.318 4.152 4.470 0.001 0.000 0.282 272 S C 1.247 175.844 174.600 -0.004 0.000 1.179 272 S CA 2.271 60.488 58.200 0.029 0.000 1.125 272 S CB -0.641 62.589 63.200 0.050 0.000 1.035 272 S HN 0.536 nan 8.310 nan 0.000 0.452 273 D N -0.394 120.008 120.400 0.004 0.000 1.989 273 D HA 0.144 4.784 4.640 0.001 0.000 0.259 273 D C 1.485 177.767 176.300 -0.030 0.000 0.992 273 D CA 1.609 55.604 54.000 -0.007 0.000 0.912 273 D CB -0.749 40.054 40.800 0.006 0.000 1.083 273 D HN 0.320 nan 8.370 nan 0.000 0.441 274 F N 1.034 120.967 119.950 -0.028 0.000 2.706 274 F HA 0.454 4.981 4.527 0.001 0.000 0.315 274 F C 1.618 177.345 175.800 -0.122 0.000 1.286 274 F CA 0.494 58.473 58.000 -0.036 0.000 1.424 274 F CB -1.593 37.406 39.000 -0.001 0.000 1.262 274 F HN 0.153 nan 8.300 nan 0.000 0.547 275 G N -0.140 108.550 108.800 -0.184 0.000 2.707 275 G HA2 0.110 4.070 3.960 0.001 0.000 0.192 275 G HA3 0.110 4.070 3.960 0.001 0.000 0.192 275 G C 1.092 175.746 174.900 -0.410 0.000 1.471 275 G CA 2.401 47.259 45.100 -0.404 0.000 0.865 275 G HN 0.952 nan 8.290 nan 0.000 0.529 276 V N -0.720 119.027 119.914 -0.278 0.000 3.623 276 V HA 0.206 4.326 4.120 0.001 0.000 0.283 276 V C 0.719 176.745 176.094 -0.114 0.000 1.643 276 V CA 0.708 62.888 62.300 -0.202 0.000 1.121 276 V CB 0.909 32.565 31.823 -0.280 0.000 0.933 276 V HN 0.528 nan 8.190 nan 0.000 0.420 277 D N 1.481 121.824 120.400 -0.096 0.000 2.433 277 D HA 0.097 4.737 4.640 0.001 0.000 0.211 277 D C 1.042 177.325 176.300 -0.028 0.000 1.114 277 D CA 1.132 55.099 54.000 -0.055 0.000 0.837 277 D CB 0.628 41.395 40.800 -0.057 0.000 0.984 277 D HN 0.554 nan 8.370 nan 0.000 0.505 278 T N -2.870 111.670 114.554 -0.024 0.000 2.897 278 T HA 0.666 5.016 4.350 0.001 0.000 0.278 278 T C 0.179 174.884 174.700 0.009 0.000 0.981 278 T CA -0.727 61.367 62.100 -0.009 0.000 0.973 278 T CB 1.429 70.288 68.868 -0.014 0.000 1.092 278 T HN 0.013 nan 8.240 nan 0.000 0.543 279 K N 0.213 120.617 120.400 0.007 0.000 2.478 279 K HA 0.659 4.979 4.320 0.001 0.000 0.236 279 K C -0.089 176.516 176.600 0.008 0.000 1.021 279 K CA -0.689 55.605 56.287 0.012 0.000 1.010 279 K CB 0.681 33.186 32.500 0.008 0.000 1.331 279 K HN 0.875 nan 8.250 nan 0.000 0.470 280 S N 2.923 118.631 115.700 0.013 0.000 2.592 280 S HA 0.292 4.762 4.470 0.001 0.000 0.151 280 S C -0.885 173.732 174.600 0.028 0.000 1.280 280 S CA -0.159 58.048 58.200 0.011 0.000 1.187 280 S CB -0.525 62.678 63.200 0.005 0.000 1.471 280 S HN 0.919 nan 8.310 nan 0.000 0.409 281 D N 1.843 122.250 120.400 0.011 0.000 4.088 281 D HA -0.160 4.480 4.640 0.001 0.000 0.187 281 D C -0.302 176.054 176.300 0.093 0.000 1.259 281 D CA 1.283 55.286 54.000 0.006 0.000 0.702 281 D CB -1.573 39.239 40.800 0.019 0.000 1.019 281 D HN 0.416 nan 8.370 nan 0.000 0.498 282 F N 0.198 119.980 119.950 -0.280 0.000 2.638 282 F HA 0.116 4.644 4.527 0.001 0.000 0.308 282 F C -1.442 174.185 175.800 -0.289 0.000 1.011 282 F CA -0.858 56.953 58.000 -0.315 0.000 0.999 282 F CB 0.791 39.698 39.000 -0.156 0.000 1.263 282 F HN 0.144 nan 8.300 nan 0.000 0.518 283 H N 6.299 125.123 119.070 -0.410 0.000 2.476 283 H HA 0.653 5.210 4.556 0.001 0.000 0.328 283 H C 0.939 176.152 175.328 -0.192 0.000 1.073 283 H CA 0.299 56.200 56.048 -0.245 0.000 1.229 283 H CB 1.121 30.736 29.762 -0.244 0.000 1.432 283 H HN 0.783 nan 8.280 nan 0.000 0.477 284 L N 2.763 124.028 121.223 0.071 0.000 1.982 284 L HA 0.015 4.355 4.340 0.001 0.000 0.206 284 L C 2.086 179.055 176.870 0.164 0.000 1.078 284 L CA 1.467 56.373 54.840 0.110 0.000 0.749 284 L CB -1.688 40.379 42.059 0.014 0.000 0.894 284 L HN 0.661 nan 8.230 nan 0.000 0.436 285 F N 0.877 120.689 119.950 -0.231 0.000 2.722 285 F HA 0.355 4.883 4.527 0.001 0.000 0.298 285 F C 1.638 177.413 175.800 -0.042 0.000 1.175 285 F CA -0.019 57.900 58.000 -0.134 0.000 1.462 285 F CB -0.868 38.081 39.000 -0.085 0.000 1.111 285 F HN 0.602 nan 8.300 nan 0.000 0.592 286 G N 1.444 110.323 108.800 0.133 0.000 2.901 286 G HA2 -0.242 3.719 3.960 0.001 0.000 0.654 286 G HA3 -0.242 3.719 3.960 0.001 0.000 0.654 286 G C -2.646 172.258 174.900 0.006 0.000 1.550 286 G CA -1.057 44.073 45.100 0.050 0.000 0.978 286 G HN 0.105 nan 8.290 nan 0.000 0.566 287 P HA 0.340 nan 4.420 nan 0.000 0.297 287 P C -2.238 175.024 177.300 -0.064 0.000 1.303 287 P CA -0.892 62.078 63.100 -0.216 0.000 0.753 287 P CB 0.700 32.248 31.700 -0.254 0.000 1.281 288 P HA 0.132 nan 4.420 nan 0.000 0.236 288 P C 0.537 177.833 177.300 -0.007 0.000 1.709 288 P CA 0.071 63.161 63.100 -0.016 0.000 0.942 288 P CB -0.759 30.930 31.700 -0.020 0.000 1.615 289 G N 0.439 109.237 108.800 -0.003 0.000 2.439 289 G HA2 0.354 4.315 3.960 0.001 0.000 0.298 289 G HA3 0.354 4.315 3.960 0.001 0.000 0.298 289 G C 0.515 175.423 174.900 0.013 0.000 1.044 289 G CA -0.310 44.793 45.100 0.005 0.000 1.168 289 G HN 0.443 nan 8.290 nan 0.000 0.433 290 K N 0.255 120.663 120.400 0.014 0.000 2.448 290 K HA 0.628 4.949 4.320 0.001 0.000 0.278 290 K C 0.531 177.142 176.600 0.018 0.000 1.009 290 K CA 0.657 56.956 56.287 0.020 0.000 0.995 290 K CB 0.188 32.700 32.500 0.020 0.000 0.917 290 K HN 1.274 nan 8.250 nan 0.000 0.481 291 K N 0.127 120.539 120.400 0.021 0.000 2.128 291 K HA 0.733 5.053 4.320 0.001 0.000 0.254 291 K C 0.230 176.842 176.600 0.021 0.000 0.872 291 K CA 0.151 56.450 56.287 0.019 0.000 0.733 291 K CB -0.511 32.000 32.500 0.017 0.000 1.521 291 K HN 1.471 nan 8.250 nan 0.000 0.406 292 D N 2.131 122.543 120.400 0.020 0.000 2.520 292 D HA 0.268 4.908 4.640 0.001 0.000 0.243 292 D C -0.948 175.367 176.300 0.024 0.000 1.160 292 D CA -0.522 53.489 54.000 0.020 0.000 0.877 292 D CB -0.191 40.620 40.800 0.019 0.000 1.150 292 D HN 0.390 nan 8.370 nan 0.000 0.494 293 P HA -0.208 nan 4.420 nan 0.000 0.222 293 P C 1.574 178.892 177.300 0.030 0.000 1.139 293 P CA 0.865 63.980 63.100 0.026 0.000 0.790 293 P CB 0.221 31.933 31.700 0.021 0.000 0.757 294 V N 0.679 120.610 119.914 0.028 0.000 2.231 294 V HA -0.170 3.950 4.120 0.001 0.000 0.240 294 V C 2.496 178.614 176.094 0.040 0.000 1.039 294 V CA 2.209 64.528 62.300 0.031 0.000 0.998 294 V CB -1.629 30.211 31.823 0.028 0.000 0.639 294 V HN 0.050 nan 8.190 nan 0.000 0.451 295 L N 1.094 122.340 121.223 0.038 0.000 2.650 295 L HA 0.668 5.008 4.340 0.001 0.000 0.239 295 L C 0.587 177.486 176.870 0.047 0.000 1.412 295 L CA 0.646 55.513 54.840 0.044 0.000 1.219 295 L CB -2.462 39.618 42.059 0.036 0.000 1.534 295 L HN 0.487 nan 8.230 nan 0.000 0.430 296 K N -0.911 119.521 120.400 0.054 0.000 2.164 296 K HA 0.611 4.931 4.320 0.001 0.000 0.258 296 K C 0.894 177.541 176.600 0.080 0.000 0.951 296 K CA 0.284 56.607 56.287 0.061 0.000 0.844 296 K CB 0.190 32.723 32.500 0.056 0.000 1.099 296 K HN 1.977 nan 8.250 nan 0.000 0.435 297 D N 0.687 121.141 120.400 0.090 0.000 2.845 297 D HA -0.143 4.497 4.640 0.001 0.000 0.229 297 D C 0.488 176.869 176.300 0.134 0.000 1.170 297 D CA 1.137 55.208 54.000 0.118 0.000 0.717 297 D CB -1.923 38.954 40.800 0.128 0.000 1.073 297 D HN 0.742 nan 8.370 nan 0.000 0.424 298 L N -0.675 120.619 121.223 0.117 0.000 3.272 298 L HA 0.072 4.412 4.340 0.001 0.000 0.312 298 L C 1.829 178.787 176.870 0.147 0.000 1.180 298 L CA 1.297 56.209 54.840 0.121 0.000 1.192 298 L CB -0.668 41.450 42.059 0.099 0.000 1.558 298 L HN 0.707 nan 8.230 nan 0.000 0.409 299 L N -0.009 121.311 121.223 0.161 0.000 3.271 299 L HA -0.268 4.073 4.340 0.001 0.000 0.429 299 L C -0.397 176.546 176.870 0.121 0.000 0.724 299 L CA 0.684 55.591 54.840 0.112 0.000 2.742 299 L CB -1.196 40.813 42.059 -0.083 0.000 0.986 299 L HN 0.332 nan 8.230 nan 0.000 0.656 300 F N 1.276 121.215 119.950 -0.018 0.000 2.722 300 F HA 0.299 4.827 4.527 0.001 0.000 0.336 300 F C 0.243 176.037 175.800 -0.009 0.000 1.216 300 F CA -1.120 56.840 58.000 -0.065 0.000 1.065 300 F CB 1.221 40.081 39.000 -0.234 0.000 1.325 300 F HN -0.097 nan 8.300 nan 0.000 0.524 301 K N 2.650 123.133 120.400 0.139 0.000 2.586 301 K HA -0.043 4.278 4.320 0.001 0.000 0.280 301 K C 0.178 176.849 176.600 0.117 0.000 0.972 301 K CA 0.234 56.587 56.287 0.111 0.000 1.040 301 K CB 0.988 33.505 32.500 0.028 0.000 0.870 301 K HN 0.574 nan 8.250 nan 0.000 0.497 302 D N 1.894 122.354 120.400 0.101 0.000 2.120 302 D HA -0.180 4.460 4.640 0.001 0.000 0.191 302 D C 0.947 177.300 176.300 0.088 0.000 0.994 302 D CA 2.198 56.253 54.000 0.092 0.000 0.838 302 D CB -0.367 40.470 40.800 0.061 0.000 0.976 302 D HN 0.768 nan 8.370 nan 0.000 0.447 303 S N 0.563 116.297 115.700 0.057 0.000 3.911 303 S HA 0.364 4.834 4.470 0.001 0.000 0.188 303 S C -0.101 174.528 174.600 0.048 0.000 1.147 303 S CA -0.431 57.795 58.200 0.044 0.000 0.961 303 S CB -0.451 62.763 63.200 0.024 0.000 1.582 303 S HN 0.368 nan 8.310 nan 0.000 0.458 304 A N 1.744 124.625 122.820 0.103 0.000 2.566 304 A HA 0.834 5.154 4.320 0.001 0.000 0.292 304 A C 0.252 178.000 177.584 0.273 0.000 1.112 304 A CA -0.853 51.255 52.037 0.119 0.000 0.707 304 A CB 0.891 19.925 19.000 0.055 0.000 1.302 304 A HN 0.539 nan 8.150 nan 0.000 0.409 305 I N -0.511 120.238 120.570 0.299 0.000 4.530 305 I HA 0.225 4.395 4.170 0.001 0.000 0.318 305 I C -0.358 176.111 176.117 0.586 0.000 1.257 305 I CA 0.615 62.139 61.300 0.372 0.000 1.301 305 I CB 0.434 38.534 38.000 0.167 0.000 1.297 305 I HN 0.741 nan 8.210 nan 0.000 0.451 306 M N 0.960 120.869 119.600 0.515 0.000 2.437 306 M HA 0.255 4.735 4.480 0.001 0.000 0.203 306 M C -1.086 175.378 176.300 0.273 0.000 0.957 306 M CA -0.504 55.129 55.300 0.554 0.000 0.872 306 M CB 1.347 34.154 32.600 0.345 0.000 2.556 306 M HN -0.055 nan 8.290 nan 0.000 0.428 307 L N 3.864 125.205 121.223 0.197 0.000 2.843 307 L HA 0.150 4.491 4.340 0.001 0.000 0.296 307 L C 1.088 177.977 176.870 0.032 0.000 1.228 307 L CA 0.862 55.742 54.840 0.066 0.000 1.188 307 L CB -0.134 41.990 42.059 0.109 0.000 1.475 307 L HN 1.038 nan 8.230 nan 0.000 0.433 308 K N 3.656 124.106 120.400 0.082 0.000 2.464 308 K HA 0.261 4.582 4.320 0.001 0.000 0.216 308 K C 0.943 177.612 176.600 0.115 0.000 0.730 308 K CA 2.110 58.498 56.287 0.169 0.000 0.899 308 K CB -0.609 31.981 32.500 0.149 0.000 0.541 308 K HN 0.780 nan 8.250 nan 0.000 0.956 309 R N -2.791 117.866 120.500 0.261 0.000 3.404 309 R HA 0.848 5.188 4.340 0.001 0.000 0.243 309 R C -0.319 176.143 176.300 0.270 0.000 1.474 309 R CA 0.580 56.839 56.100 0.266 0.000 1.018 309 R CB -0.056 30.637 30.300 0.656 0.000 1.568 309 R HN 2.259 nan 8.270 nan 0.000 0.498 310 V N 0.178 120.236 119.914 0.241 0.000 3.019 310 V HA 0.510 4.631 4.120 0.001 0.000 0.248 310 V C -2.726 173.340 176.094 -0.047 0.000 1.660 310 V CA -0.870 61.519 62.300 0.148 0.000 0.874 310 V CB 1.397 33.171 31.823 -0.082 0.000 1.161 310 V HN 0.801 nan 8.190 nan 0.000 0.491 311 P HA 0.151 nan 4.420 nan 0.000 0.293 311 P C 1.247 178.495 177.300 -0.087 0.000 1.285 311 P CA 1.174 64.147 63.100 -0.212 0.000 0.775 311 P CB 0.565 32.064 31.700 -0.334 0.000 1.351 312 S N -0.613 115.043 115.700 -0.074 0.000 2.309 312 S HA -0.123 4.348 4.470 0.001 0.000 0.206 312 S C 2.116 176.694 174.600 -0.036 0.000 1.028 312 S CA 0.674 58.849 58.200 -0.041 0.000 0.972 312 S CB -1.684 61.495 63.200 -0.036 0.000 0.961 312 S HN 0.241 nan 8.310 nan 0.000 0.449 313 L N 1.227 122.428 121.223 -0.036 0.000 2.357 313 L HA 0.108 4.448 4.340 0.001 0.000 0.220 313 L C 1.279 178.132 176.870 -0.027 0.000 1.123 313 L CA 1.127 55.948 54.840 -0.031 0.000 0.782 313 L CB -0.912 41.129 42.059 -0.031 0.000 0.910 313 L HN 0.465 nan 8.230 nan 0.000 0.442 314 M N -0.066 119.524 119.600 -0.017 0.000 2.307 314 M HA -0.056 4.425 4.480 0.001 0.000 0.346 314 M C 0.873 177.166 176.300 -0.012 0.000 1.552 314 M CA 0.237 55.538 55.300 0.001 0.000 1.116 314 M CB 0.400 33.022 32.600 0.037 0.000 1.889 314 M HN 0.121 nan 8.290 nan 0.000 0.460 315 D N 1.216 121.601 120.400 -0.026 0.000 2.256 315 D HA 0.190 4.831 4.640 0.001 0.000 0.279 315 D C 0.471 176.768 176.300 -0.005 0.000 1.209 315 D CA 0.655 54.634 54.000 -0.035 0.000 0.946 315 D CB 0.804 41.557 40.800 -0.078 0.000 0.914 315 D HN 0.551 nan 8.370 nan 0.000 0.278 316 S N -1.497 114.175 115.700 -0.047 0.000 2.615 316 S HA 0.030 4.500 4.470 0.001 0.000 0.277 316 S C 0.957 175.482 174.600 -0.125 0.000 1.068 316 S CA -0.341 57.869 58.200 0.016 0.000 1.315 316 S CB 0.502 63.748 63.200 0.076 0.000 1.193 316 S HN 0.207 nan 8.310 nan 0.000 0.656 317 Q N 1.149 120.663 119.800 -0.476 0.000 2.398 317 Q HA 0.240 4.581 4.340 0.001 0.000 0.204 317 Q C 1.484 177.248 176.000 -0.393 0.000 0.932 317 Q CA 0.658 55.811 55.803 -1.083 0.000 0.916 317 Q CB 0.021 28.051 28.738 -1.181 0.000 1.024 317 Q HN 0.516 nan 8.270 nan 0.000 0.504 318 L N -1.283 119.828 121.223 -0.187 0.000 2.115 318 L HA -0.068 4.272 4.340 0.001 0.000 0.200 318 L C 2.123 179.028 176.870 0.058 0.000 1.094 318 L CA 0.747 55.556 54.840 -0.052 0.000 0.769 318 L CB -1.038 41.006 42.059 -0.023 0.000 0.931 318 L HN 0.092 nan 8.230 nan 0.000 0.455 319 Y N 1.035 121.322 120.300 -0.022 0.000 2.271 319 Y HA -0.289 4.261 4.550 0.001 0.000 0.284 319 Y C 2.130 178.042 175.900 0.020 0.000 1.189 319 Y CA 1.472 59.581 58.100 0.014 0.000 1.229 319 Y CB -0.199 38.276 38.460 0.025 0.000 0.973 319 Y HN 0.043 nan 8.280 nan 0.000 0.537 320 L N -0.937 120.251 121.223 -0.059 0.000 2.168 320 L HA 0.298 4.639 4.340 0.001 0.000 0.203 320 L C 1.420 178.268 176.870 -0.037 0.000 1.078 320 L CA 1.371 56.158 54.840 -0.088 0.000 0.780 320 L CB -0.808 41.296 42.059 0.075 0.000 0.939 320 L HN 0.356 nan 8.230 nan 0.000 0.451 321 G N -2.118 106.690 108.800 0.012 0.000 2.525 321 G HA2 -0.258 3.703 3.960 0.001 0.000 0.685 321 G HA3 -0.258 3.703 3.960 0.001 0.000 0.685 321 G C 0.269 175.266 174.900 0.163 0.000 1.290 321 G CA -0.069 45.060 45.100 0.049 0.000 0.915 321 G HN 0.110 nan 8.290 nan 0.000 0.548 322 F N 1.130 121.070 119.950 -0.017 0.000 2.118 322 F HA 0.208 4.735 4.527 0.001 0.000 0.293 322 F C 2.999 178.830 175.800 0.052 0.000 1.102 322 F CA 2.483 60.490 58.000 0.012 0.000 1.247 322 F CB -0.280 38.711 39.000 -0.015 0.000 1.017 322 F HN 0.962 nan 8.300 nan 0.000 0.475 323 E N 0.303 120.477 120.200 -0.043 0.000 2.063 323 E HA -0.419 3.932 4.350 0.001 0.000 0.221 323 E C 2.041 178.589 176.600 -0.087 0.000 1.052 323 E CA 2.869 59.185 56.400 -0.140 0.000 0.891 323 E CB -2.212 27.476 29.700 -0.021 0.000 0.792 323 E HN 0.673 nan 8.360 nan 0.000 0.482 324 Y N -1.237 119.068 120.300 0.008 0.000 2.263 324 Y HA 0.140 4.691 4.550 0.001 0.000 0.292 324 Y C 2.416 178.375 175.900 0.098 0.000 1.130 324 Y CA 1.869 59.993 58.100 0.040 0.000 1.179 324 Y CB -0.969 37.515 38.460 0.039 0.000 0.998 324 Y HN 0.556 nan 8.280 nan 0.000 0.532 325 Y N 1.787 122.096 120.300 0.015 0.000 2.097 325 Y HA -0.313 4.237 4.550 0.001 0.000 0.282 325 Y C 3.057 179.003 175.900 0.077 0.000 1.152 325 Y CA 2.737 60.844 58.100 0.011 0.000 1.136 325 Y CB -0.382 38.040 38.460 -0.063 0.000 0.975 325 Y HN 0.398 nan 8.280 nan 0.000 0.498 326 S N 0.193 116.033 115.700 0.233 0.000 2.345 326 S HA -0.157 4.314 4.470 0.001 0.000 0.219 326 S C 2.303 176.894 174.600 -0.015 0.000 1.031 326 S CA 0.896 59.173 58.200 0.129 0.000 0.984 326 S CB -1.282 61.922 63.200 0.007 0.000 0.874 326 S HN 0.546 nan 8.310 nan 0.000 0.451 327 A N 2.559 125.322 122.820 -0.095 0.000 1.909 327 A HA -0.149 4.172 4.320 0.001 0.000 0.221 327 A C 2.260 179.807 177.584 -0.061 0.000 1.223 327 A CA 2.105 54.090 52.037 -0.087 0.000 0.658 327 A CB -1.248 17.715 19.000 -0.062 0.000 0.831 327 A HN 0.635 nan 8.150 nan 0.000 0.462 328 I N -1.270 119.286 120.570 -0.024 0.000 2.127 328 I HA -0.323 3.848 4.170 0.001 0.000 0.241 328 I C 2.801 178.896 176.117 -0.036 0.000 1.075 328 I CA 2.017 63.294 61.300 -0.038 0.000 1.334 328 I CB -0.533 37.477 38.000 0.017 0.000 1.040 328 I HN 0.503 nan 8.210 nan 0.000 0.405 329 Q N 0.349 120.185 119.800 0.060 0.000 2.308 329 Q HA -0.239 4.102 4.340 0.001 0.000 0.209 329 Q C 2.187 178.194 176.000 0.011 0.000 0.985 329 Q CA 1.893 57.737 55.803 0.069 0.000 0.881 329 Q CB -0.094 28.701 28.738 0.096 0.000 0.917 329 Q HN 0.362 nan 8.270 nan 0.000 0.443 330 S N -1.249 114.441 115.700 -0.016 0.000 2.371 330 S HA -0.094 4.376 4.470 0.001 0.000 0.224 330 S C 1.388 175.951 174.600 -0.062 0.000 1.029 330 S CA 0.950 59.128 58.200 -0.037 0.000 0.978 330 S CB 0.000 63.165 63.200 -0.059 0.000 0.833 330 S HN 0.361 nan 8.310 nan 0.000 0.466 331 M N 1.013 120.562 119.600 -0.086 0.000 2.816 331 M HA 0.093 4.574 4.480 0.001 0.000 0.271 331 M C 2.636 178.883 176.300 -0.088 0.000 1.193 331 M CA 2.057 57.300 55.300 -0.095 0.000 1.060 331 M CB -0.809 31.725 32.600 -0.110 0.000 1.076 331 M HN 0.274 nan 8.290 nan 0.000 0.539 332 R N 0.761 121.190 120.500 -0.119 0.000 2.089 332 R HA 0.001 4.341 4.340 0.001 0.000 0.222 332 R C 2.351 178.585 176.300 -0.110 0.000 1.151 332 R CA 2.624 58.649 56.100 -0.125 0.000 0.908 332 R CB -2.201 27.995 30.300 -0.173 0.000 0.813 332 R HN 0.495 nan 8.270 nan 0.000 0.440 333 K N 0.027 120.334 120.400 -0.155 0.000 2.277 333 K HA -0.133 4.187 4.320 0.001 0.000 0.206 333 K C 1.309 177.912 176.600 0.006 0.000 1.044 333 K CA 3.401 59.652 56.287 -0.060 0.000 0.932 333 K CB -1.779 30.752 32.500 0.051 0.000 0.726 333 K HN 1.211 nan 8.250 nan 0.000 0.473 334 D N -5.414 114.983 120.400 -0.005 0.000 3.561 334 D HA 0.697 5.338 4.640 0.001 0.000 0.302 334 D C 0.905 177.198 176.300 -0.012 0.000 1.417 334 D CA 1.327 55.332 54.000 0.008 0.000 0.994 334 D CB -0.396 40.426 40.800 0.038 0.000 1.358 334 D HN 1.142 nan 8.370 nan 0.000 0.626 335 Q N -3.928 115.869 119.800 -0.006 0.000 7.519 335 Q HA 0.519 4.859 4.340 0.001 0.000 0.353 335 Q C 1.091 177.085 176.000 -0.010 0.000 0.921 335 Q CA 1.983 57.777 55.803 -0.016 0.000 0.652 335 Q CB -2.057 26.665 28.738 -0.027 0.000 0.253 335 Q HN 2.607 nan 8.270 nan 0.000 0.946 336 L N -3.033 118.189 121.223 -0.002 0.000 3.583 336 L HA 0.722 5.062 4.340 0.001 0.000 0.402 336 L C 2.541 179.412 176.870 0.002 0.000 0.981 336 L CA 1.940 56.779 54.840 -0.001 0.000 1.807 336 L CB -1.315 40.740 42.059 -0.007 0.000 2.565 336 L HN 1.477 nan 8.230 nan 0.000 0.547 337 T N 0.668 115.223 114.554 0.003 0.000 2.614 337 T HA 0.066 4.417 4.350 0.001 0.000 0.263 337 T C 0.725 175.430 174.700 0.009 0.000 1.055 337 T CA 2.900 65.002 62.100 0.004 0.000 1.162 337 T CB -1.237 67.633 68.868 0.003 0.000 0.863 337 T HN 0.678 nan 8.240 nan 0.000 0.414 338 P HA 0.301 nan 4.420 nan 0.000 0.209 338 P C 0.809 178.125 177.300 0.026 0.000 1.158 338 P CA 0.909 64.022 63.100 0.022 0.000 0.899 338 P CB -0.512 31.208 31.700 0.034 0.000 0.756 339 S N 1.402 117.126 115.700 0.040 0.000 2.498 339 S HA 0.561 5.031 4.470 0.001 0.000 0.281 339 S C -1.643 172.974 174.600 0.029 0.000 1.265 339 S CA -0.409 57.819 58.200 0.046 0.000 1.071 339 S CB -0.948 62.293 63.200 0.068 0.000 0.894 339 S HN 0.317 nan 8.310 nan 0.000 0.491 340 P HA 0.765 nan 4.420 nan 0.000 0.322 340 P C -1.756 175.553 177.300 0.016 0.000 1.106 340 P CA -0.482 62.626 63.100 0.014 0.000 0.940 340 P CB 1.201 32.906 31.700 0.007 0.000 1.349 341 R N 1.044 121.550 120.500 0.009 0.000 2.287 341 R HA 0.418 4.759 4.340 0.001 0.000 0.316 341 R C -0.505 175.800 176.300 0.008 0.000 1.050 341 R CA -0.283 55.824 56.100 0.010 0.000 0.983 341 R CB 0.348 30.652 30.300 0.005 0.000 1.140 341 R HN 0.644 nan 8.270 nan 0.000 0.528 342 E N 2.342 122.549 120.200 0.011 0.000 2.183 342 E HA 0.206 4.556 4.350 0.001 0.000 0.250 342 E C -0.557 176.048 176.600 0.010 0.000 0.901 342 E CA -0.272 56.131 56.400 0.005 0.000 0.741 342 E CB 0.448 30.148 29.700 -0.000 0.000 1.182 342 E HN 0.382 nan 8.360 nan 0.000 0.425 343 N N 2.212 120.918 118.700 0.010 0.000 2.322 343 N HA 0.075 4.815 4.740 0.001 0.000 0.216 343 N C 0.139 175.658 175.510 0.015 0.000 1.144 343 N CA 0.039 53.099 53.050 0.016 0.000 0.830 343 N CB 0.581 39.078 38.487 0.018 0.000 1.034 343 N HN 0.336 nan 8.380 nan 0.000 0.484 344 R N 0.512 121.016 120.500 0.006 0.000 2.782 344 R HA 0.634 4.974 4.340 0.001 0.000 0.258 344 R C -0.421 175.882 176.300 0.005 0.000 1.055 344 R CA -0.663 55.437 56.100 -0.001 0.000 1.065 344 R CB 0.112 30.397 30.300 -0.025 0.000 1.172 344 R HN 0.178 nan 8.270 nan 0.000 0.510 345 I N 2.231 122.808 120.570 0.011 0.000 2.352 345 I HA 0.414 4.585 4.170 0.001 0.000 0.290 345 I C 1.348 177.487 176.117 0.037 0.000 1.036 345 I CA -0.257 61.072 61.300 0.050 0.000 1.336 345 I CB 1.096 39.173 38.000 0.129 0.000 1.407 345 I HN 0.967 nan 8.210 nan 0.000 0.497 346 Q N 5.955 125.776 119.800 0.034 0.000 2.247 346 Q HA 0.469 4.810 4.340 0.001 0.000 0.184 346 Q C -1.198 174.887 176.000 0.141 0.000 1.067 346 Q CA 0.098 55.920 55.803 0.032 0.000 1.115 346 Q CB 1.071 29.801 28.738 -0.013 0.000 1.147 346 Q HN 0.704 nan 8.270 nan 0.000 0.599 347 W N -2.863 118.382 121.300 -0.091 0.000 2.937 347 W HA 0.522 5.182 4.660 0.001 0.000 0.360 347 W C -1.630 174.858 176.519 -0.051 0.000 1.215 347 W CA -0.779 56.527 57.345 -0.065 0.000 1.183 347 W CB 1.477 30.896 29.460 -0.067 0.000 1.458 347 W HN 0.828 nan 8.180 nan 0.000 0.574 348 c N 3.570 122.151 118.600 -0.031 0.000 2.437 348 c HA 0.847 5.418 4.570 0.001 0.000 0.307 348 c C 0.074 174.298 174.090 0.223 0.000 1.093 348 c CA -0.235 56.094 56.329 -0.000 0.000 1.463 348 c CB -1.561 40.825 42.510 -0.205 0.000 1.926 348 c HN 0.561 nan 8.230 nan 0.000 0.420 349 A N 3.692 126.663 122.820 0.252 0.000 2.304 349 A HA 0.728 5.049 4.320 0.001 0.000 0.301 349 A C -0.464 177.194 177.584 0.122 0.000 1.132 349 A CA -0.359 51.816 52.037 0.230 0.000 0.819 349 A CB 1.104 20.220 19.000 0.192 0.000 1.094 349 A HN 1.316 nan 8.150 nan 0.000 0.492 350 V N 2.391 122.368 119.914 0.105 0.000 2.376 350 V HA 0.707 4.828 4.120 0.001 0.000 0.287 350 V C 0.245 176.372 176.094 0.054 0.000 1.015 350 V CA 1.094 63.432 62.300 0.064 0.000 0.834 350 V CB 0.268 32.124 31.823 0.054 0.000 1.001 350 V HN 2.633 nan 8.190 nan 0.000 0.428 351 G N 5.700 114.524 108.800 0.039 0.000 2.746 351 G HA2 -0.176 3.785 3.960 0.001 0.000 0.685 351 G HA3 -0.176 3.785 3.960 0.001 0.000 0.685 351 G C -0.122 174.797 174.900 0.032 0.000 1.350 351 G CA -0.104 45.014 45.100 0.030 0.000 0.837 351 G HN 1.761 nan 8.290 nan 0.000 0.564 352 K N -0.643 119.770 120.400 0.021 0.000 2.878 352 K HA 0.251 4.571 4.320 0.001 0.000 0.242 352 K C 0.405 177.018 176.600 0.021 0.000 0.985 352 K CA 1.399 57.696 56.287 0.018 0.000 1.168 352 K CB 0.121 32.627 32.500 0.009 0.000 0.993 352 K HN 0.468 nan 8.250 nan 0.000 0.476 353 D N -0.900 119.520 120.400 0.033 0.000 2.453 353 D HA -0.025 4.615 4.640 0.001 0.000 0.256 353 D C 1.331 177.666 176.300 0.058 0.000 1.152 353 D CA 0.528 54.551 54.000 0.038 0.000 0.818 353 D CB 0.473 41.295 40.800 0.036 0.000 1.259 353 D HN 0.430 nan 8.370 nan 0.000 0.531 354 E N 1.909 122.150 120.200 0.069 0.000 2.134 354 E HA 0.057 4.407 4.350 0.001 0.000 0.194 354 E C 2.139 178.800 176.600 0.102 0.000 0.937 354 E CA 1.023 57.482 56.400 0.100 0.000 0.874 354 E CB -0.878 28.890 29.700 0.114 0.000 0.853 354 E HN 0.193 nan 8.360 nan 0.000 0.471 355 K N 0.744 121.193 120.400 0.081 0.000 2.211 355 K HA -0.023 4.297 4.320 0.001 0.000 0.204 355 K C 2.488 179.117 176.600 0.048 0.000 1.047 355 K CA 1.887 58.215 56.287 0.068 0.000 0.935 355 K CB -1.086 31.441 32.500 0.046 0.000 0.728 355 K HN 0.361 nan 8.250 nan 0.000 0.452 356 S N -0.032 115.690 115.700 0.036 0.000 2.355 356 S HA -0.072 4.398 4.470 0.001 0.000 0.222 356 S C 2.463 177.066 174.600 0.005 0.000 1.031 356 S CA 1.971 60.177 58.200 0.010 0.000 0.993 356 S CB -0.346 62.857 63.200 0.006 0.000 0.859 356 S HN 0.743 nan 8.310 nan 0.000 0.453 357 K N -0.266 120.161 120.400 0.045 0.000 2.574 357 K HA 0.111 4.431 4.320 0.001 0.000 0.193 357 K C 1.995 178.692 176.600 0.161 0.000 1.035 357 K CA 1.071 57.403 56.287 0.075 0.000 0.982 357 K CB -1.550 31.034 32.500 0.139 0.000 0.795 357 K HN 0.596 nan 8.250 nan 0.000 0.491 358 c N 0.391 119.066 118.600 0.125 0.000 2.742 358 c HA 0.112 4.683 4.570 0.001 0.000 0.284 358 c C 0.728 174.857 174.090 0.066 0.000 1.481 358 c CA 0.279 56.695 56.329 0.144 0.000 1.809 358 c CB 0.140 42.710 42.510 0.099 0.000 1.991 358 c HN 0.688 nan 8.230 nan 0.000 0.660 359 D N 0.869 121.278 120.400 0.015 0.000 2.813 359 D HA 0.143 4.783 4.640 0.001 0.000 0.248 359 D C 1.270 177.547 176.300 -0.037 0.000 1.254 359 D CA 0.518 54.508 54.000 -0.018 0.000 0.921 359 D CB -0.011 40.779 40.800 -0.018 0.000 1.118 359 D HN 0.695 nan 8.370 nan 0.000 0.450 360 R N -0.570 119.907 120.500 -0.038 0.000 2.769 360 R HA 0.018 4.359 4.340 0.001 0.000 0.191 360 R C 1.600 177.864 176.300 -0.060 0.000 0.881 360 R CA -0.073 55.945 56.100 -0.137 0.000 1.133 360 R CB -0.958 29.160 30.300 -0.303 0.000 1.607 360 R HN 0.263 nan 8.270 nan 0.000 0.613 361 W N 2.594 123.816 121.300 -0.130 0.000 2.481 361 W HA 0.153 4.813 4.660 0.001 0.000 0.293 361 W C 1.162 177.609 176.519 -0.120 0.000 1.201 361 W CA 1.532 58.899 57.345 0.036 0.000 1.328 361 W CB -0.104 29.488 29.460 0.219 0.000 1.112 361 W HN 0.282 nan 8.180 nan 0.000 0.546 362 S N 1.169 116.793 115.700 -0.127 0.000 3.188 362 S HA 0.110 4.580 4.470 0.001 0.000 0.257 362 S C 0.867 175.386 174.600 -0.135 0.000 1.163 362 S CA 0.571 58.609 58.200 -0.270 0.000 1.259 362 S CB -1.340 61.725 63.200 -0.225 0.000 0.995 362 S HN 0.252 nan 8.310 nan 0.000 0.474 363 V N -2.942 116.917 119.914 -0.092 0.000 3.240 363 V HA 0.289 4.410 4.120 0.001 0.000 0.218 363 V C 1.723 177.790 176.094 -0.044 0.000 1.190 363 V CA 0.287 62.556 62.300 -0.052 0.000 1.280 363 V CB -0.691 31.122 31.823 -0.017 0.000 1.244 363 V HN 0.273 nan 8.190 nan 0.000 0.512 364 V N 1.930 121.807 119.914 -0.061 0.000 2.970 364 V HA 0.008 4.129 4.120 0.001 0.000 0.260 364 V C 3.126 179.206 176.094 -0.024 0.000 1.100 364 V CA 2.188 64.516 62.300 0.046 0.000 1.122 364 V CB -0.747 31.315 31.823 0.398 0.000 0.721 364 V HN 0.855 nan 8.190 nan 0.000 0.483 365 S N 0.109 115.707 115.700 -0.170 0.000 2.555 365 S HA -0.086 4.384 4.470 0.001 0.000 0.230 365 S C 0.782 175.332 174.600 -0.083 0.000 0.978 365 S CA 0.552 58.684 58.200 -0.114 0.000 0.934 365 S CB -0.608 62.446 63.200 -0.244 0.000 0.766 365 S HN 0.648 nan 8.310 nan 0.000 0.533 366 N N 0.372 119.036 118.700 -0.061 0.000 2.607 366 N HA -0.099 4.641 4.740 0.001 0.000 0.285 366 N C 0.923 176.392 175.510 -0.068 0.000 1.151 366 N CA 0.903 53.929 53.050 -0.040 0.000 0.749 366 N CB -1.700 36.783 38.487 -0.005 0.000 0.923 366 N HN 0.837 nan 8.380 nan 0.000 0.552 367 G N 0.676 109.418 108.800 -0.096 0.000 2.249 367 G HA2 -0.399 3.562 3.960 0.001 0.000 0.273 367 G HA3 -0.399 3.562 3.960 0.001 0.000 0.273 367 G C 0.479 175.303 174.900 -0.128 0.000 0.995 367 G CA 0.853 45.889 45.100 -0.108 0.000 0.671 367 G HN 0.662 nan 8.290 nan 0.000 0.539 368 D N -0.134 120.187 120.400 -0.131 0.000 2.387 368 D HA 0.199 4.840 4.640 0.001 0.000 0.257 368 D C 0.719 176.899 176.300 -0.201 0.000 1.198 368 D CA 0.885 54.815 54.000 -0.116 0.000 0.945 368 D CB 0.045 40.805 40.800 -0.067 0.000 0.907 368 D HN 0.298 nan 8.370 nan 0.000 0.518 369 V N 0.019 119.767 119.914 -0.276 0.000 3.020 369 V HA 0.157 4.277 4.120 0.001 0.000 0.275 369 V C 0.613 176.562 176.094 -0.241 0.000 0.868 369 V CA -0.579 61.492 62.300 -0.382 0.000 1.087 369 V CB 0.677 31.936 31.823 -0.940 0.000 0.954 369 V HN 0.183 nan 8.190 nan 0.000 0.495 370 E N 0.466 120.597 120.200 -0.115 0.000 2.570 370 E HA 0.316 4.666 4.350 0.001 0.000 0.263 370 E C 0.002 176.583 176.600 -0.032 0.000 1.390 370 E CA 0.802 57.163 56.400 -0.065 0.000 1.115 370 E CB 0.520 30.199 29.700 -0.035 0.000 0.970 370 E HN 0.854 nan 8.360 nan 0.000 0.545 371 c N -0.226 118.371 118.600 -0.005 0.000 2.811 371 c HA 0.639 5.209 4.570 0.001 0.000 0.352 371 c C -0.243 173.863 174.090 0.025 0.000 1.098 371 c CA -0.623 55.729 56.329 0.038 0.000 1.295 371 c CB 1.589 44.119 42.510 0.032 0.000 1.758 371 c HN 0.752 nan 8.230 nan 0.000 0.488 372 T N 2.963 117.537 114.554 0.034 0.000 3.060 372 T HA 0.388 4.738 4.350 0.001 0.000 0.367 372 T C 0.288 174.997 174.700 0.016 0.000 1.229 372 T CA -0.199 61.905 62.100 0.007 0.000 1.104 372 T CB 0.350 69.206 68.868 -0.021 0.000 1.083 372 T HN 0.656 nan 8.240 nan 0.000 0.524 373 V N 2.682 122.607 119.914 0.018 0.000 2.975 373 V HA 0.205 4.325 4.120 0.001 0.000 0.300 373 V C 0.340 176.440 176.094 0.010 0.000 1.186 373 V CA -0.216 62.097 62.300 0.022 0.000 1.311 373 V CB -0.169 31.663 31.823 0.014 0.000 0.917 373 V HN 0.520 nan 8.190 nan 0.000 0.512 374 V N 3.419 123.341 119.914 0.014 0.000 2.711 374 V HA 0.313 4.434 4.120 0.001 0.000 0.304 374 V C 0.403 176.501 176.094 0.006 0.000 1.097 374 V CA -0.591 61.711 62.300 0.002 0.000 0.906 374 V CB 1.547 33.366 31.823 -0.006 0.000 1.015 374 V HN 1.014 nan 8.190 nan 0.000 0.427 375 D N 2.632 123.031 120.400 -0.002 0.000 2.127 375 D HA -0.116 4.524 4.640 0.001 0.000 0.206 375 D C 0.610 176.911 176.300 0.001 0.000 0.989 375 D CA 1.045 55.045 54.000 -0.001 0.000 0.877 375 D CB 0.470 41.267 40.800 -0.006 0.000 1.042 375 D HN 0.646 nan 8.370 nan 0.000 0.455 376 E N 0.149 120.346 120.200 -0.004 0.000 2.249 376 E HA 0.116 4.466 4.350 0.001 0.000 0.280 376 E C 0.215 176.813 176.600 -0.004 0.000 1.016 376 E CA -0.103 56.296 56.400 -0.002 0.000 0.830 376 E CB 1.468 31.165 29.700 -0.005 0.000 1.081 376 E HN 0.048 nan 8.360 nan 0.000 0.395 377 T N 2.659 117.215 114.554 0.003 0.000 3.284 377 T HA 0.069 4.420 4.350 0.001 0.000 0.252 377 T C 0.560 175.254 174.700 -0.009 0.000 1.144 377 T CA 0.624 62.725 62.100 0.002 0.000 1.021 377 T CB 0.028 68.907 68.868 0.019 0.000 0.984 377 T HN 0.341 nan 8.240 nan 0.000 0.545 378 K N -0.143 120.250 120.400 -0.011 0.000 2.358 378 K HA 0.165 4.486 4.320 0.001 0.000 0.200 378 K C 0.677 177.260 176.600 -0.029 0.000 1.030 378 K CA 0.182 56.460 56.287 -0.014 0.000 1.097 378 K CB 0.542 33.041 32.500 -0.002 0.000 0.862 378 K HN 0.278 nan 8.250 nan 0.000 0.534 379 D N 0.802 121.182 120.400 -0.032 0.000 2.216 379 D HA -0.053 4.587 4.640 0.001 0.000 0.208 379 D C 1.597 177.860 176.300 -0.063 0.000 0.960 379 D CA 0.587 54.561 54.000 -0.043 0.000 0.861 379 D CB -0.210 40.570 40.800 -0.035 0.000 0.985 379 D HN 0.050 nan 8.370 nan 0.000 0.493 380 c N 0.685 119.245 118.600 -0.066 0.000 2.396 380 c HA -0.170 4.400 4.570 0.001 0.000 0.277 380 c C 2.625 176.646 174.090 -0.115 0.000 1.231 380 c CA 0.364 56.634 56.329 -0.097 0.000 1.775 380 c CB -1.012 41.433 42.510 -0.109 0.000 2.036 380 c HN 0.355 nan 8.230 nan 0.000 0.484 381 I N 1.492 122.004 120.570 -0.097 0.000 2.076 381 I HA -0.232 3.939 4.170 0.001 0.000 0.237 381 I C 2.412 178.463 176.117 -0.111 0.000 1.059 381 I CA 2.298 63.536 61.300 -0.104 0.000 1.317 381 I CB -0.553 37.397 38.000 -0.083 0.000 1.037 381 I HN 0.402 nan 8.210 nan 0.000 0.398 382 I N -0.208 120.305 120.570 -0.096 0.000 2.423 382 I HA -0.248 3.923 4.170 0.001 0.000 0.254 382 I C 2.701 178.741 176.117 -0.128 0.000 1.151 382 I CA 1.563 62.801 61.300 -0.104 0.000 1.421 382 I CB -0.975 36.973 38.000 -0.086 0.000 1.079 382 I HN 0.110 nan 8.210 nan 0.000 0.431 383 K N 2.617 122.943 120.400 -0.123 0.000 1.964 383 K HA -0.054 4.266 4.320 0.001 0.000 0.218 383 K C 1.925 178.422 176.600 -0.172 0.000 1.043 383 K CA 2.155 58.361 56.287 -0.135 0.000 0.966 383 K CB -1.560 30.868 32.500 -0.119 0.000 0.739 383 K HN 0.507 nan 8.250 nan 0.000 0.443 384 I N 0.576 121.037 120.570 -0.182 0.000 2.208 384 I HA -0.292 3.878 4.170 0.001 0.000 0.245 384 I C 2.947 178.920 176.117 -0.240 0.000 1.097 384 I CA 1.857 63.030 61.300 -0.212 0.000 1.363 384 I CB -0.273 37.602 38.000 -0.209 0.000 1.051 384 I HN 0.440 nan 8.210 nan 0.000 0.413 385 M N 1.220 120.697 119.600 -0.204 0.000 2.192 385 M HA -0.293 4.187 4.480 0.001 0.000 0.259 385 M C 2.425 178.564 176.300 -0.269 0.000 1.071 385 M CA 2.500 57.680 55.300 -0.200 0.000 1.082 385 M CB -0.171 32.340 32.600 -0.149 0.000 1.373 385 M HN 0.282 nan 8.290 nan 0.000 0.408 386 K N -0.897 119.328 120.400 -0.292 0.000 2.352 386 K HA 0.342 4.663 4.320 0.001 0.000 0.194 386 K C 1.428 177.724 176.600 -0.505 0.000 1.038 386 K CA 1.129 57.206 56.287 -0.349 0.000 1.023 386 K CB -0.202 32.137 32.500 -0.268 0.000 0.840 386 K HN 0.685 nan 8.250 nan 0.000 0.519 387 G N 0.672 109.188 108.800 -0.474 0.000 2.376 387 G HA2 -0.337 3.623 3.960 0.001 0.000 0.208 387 G HA3 -0.337 3.623 3.960 0.001 0.000 0.208 387 G C 1.162 175.916 174.900 -0.243 0.000 1.032 387 G CA 0.685 45.500 45.100 -0.475 0.000 0.641 387 G HN 0.689 nan 8.290 nan 0.000 0.503 388 E N 0.954 121.043 120.200 -0.185 0.000 2.393 388 E HA 0.286 4.637 4.350 0.001 0.000 0.201 388 E C 1.091 177.625 176.600 -0.111 0.000 1.025 388 E CA 1.087 57.418 56.400 -0.115 0.000 0.856 388 E CB -0.091 29.552 29.700 -0.096 0.000 0.771 388 E HN 1.331 nan 8.360 nan 0.000 0.526 389 A N 0.538 123.269 122.820 -0.147 0.000 2.401 389 A HA 0.375 4.695 4.320 0.001 0.000 0.310 389 A C -0.665 176.816 177.584 -0.171 0.000 1.075 389 A CA -0.701 51.247 52.037 -0.148 0.000 0.746 389 A CB 1.921 20.822 19.000 -0.165 0.000 1.277 389 A HN -0.029 nan 8.150 nan 0.000 0.425 390 D N -0.414 119.883 120.400 -0.171 0.000 2.423 390 D HA 0.509 5.150 4.640 0.001 0.000 0.208 390 D C 0.431 176.576 176.300 -0.258 0.000 1.068 390 D CA 1.565 55.466 54.000 -0.164 0.000 0.860 390 D CB 0.783 41.536 40.800 -0.079 0.000 0.992 390 D HN 0.933 nan 8.370 nan 0.000 0.504 391 A N -0.933 121.607 122.820 -0.467 0.000 2.483 391 A HA 0.664 4.984 4.320 0.001 0.000 0.294 391 A C -1.843 175.125 177.584 -1.027 0.000 1.077 391 A CA -0.582 51.044 52.037 -0.686 0.000 0.633 391 A CB 1.000 19.560 19.000 -0.734 0.000 1.318 391 A HN -0.024 nan 8.150 nan 0.000 0.455 392 V N -1.324 117.992 119.914 -0.995 0.000 2.963 392 V HA 0.603 4.723 4.120 0.001 0.000 0.272 392 V C -0.260 175.580 176.094 -0.425 0.000 1.559 392 V CA -0.272 61.511 62.300 -0.861 0.000 0.959 392 V CB 1.434 33.009 31.823 -0.414 0.000 1.202 392 V HN 2.190 nan 8.190 nan 0.000 0.447 393 A N 4.886 127.594 122.820 -0.187 0.000 2.341 393 A HA 0.852 5.172 4.320 0.001 0.000 0.326 393 A C -0.648 176.993 177.584 0.095 0.000 1.402 393 A CA -0.222 51.859 52.037 0.072 0.000 0.957 393 A CB 0.041 19.148 19.000 0.178 0.000 1.151 393 A HN 0.766 nan 8.150 nan 0.000 0.533 394 L N 1.760 123.007 121.223 0.041 0.000 2.399 394 L HA 0.317 4.658 4.340 0.001 0.000 0.265 394 L C 0.689 177.436 176.870 -0.204 0.000 1.089 394 L CA -0.766 54.056 54.840 -0.029 0.000 0.802 394 L CB 0.925 42.956 42.059 -0.047 0.000 1.180 394 L HN 0.689 nan 8.230 nan 0.000 0.454 395 D N 1.301 121.516 120.400 -0.309 0.000 2.383 395 D HA -0.005 4.636 4.640 0.001 0.000 0.252 395 D C 1.193 177.342 176.300 -0.251 0.000 1.166 395 D CA 0.377 54.056 54.000 -0.534 0.000 0.879 395 D CB 1.876 42.539 40.800 -0.228 0.000 1.164 395 D HN 0.663 nan 8.370 nan 0.000 0.462 396 G N 3.906 112.566 108.800 -0.234 0.000 2.663 396 G HA2 -0.358 3.602 3.960 0.001 0.000 0.222 396 G HA3 -0.358 3.602 3.960 0.001 0.000 0.222 396 G C 1.385 176.307 174.900 0.036 0.000 1.146 396 G CA 1.294 46.369 45.100 -0.042 0.000 0.764 396 G HN 0.662 nan 8.290 nan 0.000 0.608 397 G N 0.778 109.603 108.800 0.041 0.000 2.491 397 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 397 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 397 G C 1.829 176.829 174.900 0.168 0.000 1.180 397 G CA 0.983 46.150 45.100 0.111 0.000 0.774 397 G HN 0.459 nan 8.290 nan 0.000 0.562 398 L N 0.752 122.030 121.223 0.092 0.000 2.141 398 L HA 0.024 4.364 4.340 0.001 0.000 0.209 398 L C 3.177 180.090 176.870 0.071 0.000 1.094 398 L CA 0.895 55.780 54.840 0.076 0.000 0.763 398 L CB -0.460 41.610 42.059 0.019 0.000 0.908 398 L HN 0.208 nan 8.230 nan 0.000 0.437 399 V N -1.186 118.769 119.914 0.068 0.000 2.982 399 V HA -0.315 3.805 4.120 0.001 0.000 0.265 399 V C 2.196 178.393 176.094 0.172 0.000 1.122 399 V CA 2.134 64.481 62.300 0.080 0.000 1.143 399 V CB -0.939 30.921 31.823 0.061 0.000 0.726 399 V HN 0.467 nan 8.190 nan 0.000 0.507 400 Y N 0.511 120.890 120.300 0.132 0.000 2.230 400 Y HA -0.050 4.500 4.550 0.001 0.000 0.294 400 Y C 2.809 178.886 175.900 0.295 0.000 1.120 400 Y CA 2.161 60.396 58.100 0.226 0.000 1.129 400 Y CB -0.459 38.106 38.460 0.175 0.000 1.040 400 Y HN 0.269 nan 8.280 nan 0.000 0.519 401 T N 0.189 114.575 114.554 -0.280 0.000 2.777 401 T HA -0.131 4.219 4.350 0.001 0.000 0.266 401 T C 2.099 176.668 174.700 -0.218 0.000 1.040 401 T CA 1.868 63.773 62.100 -0.325 0.000 1.141 401 T CB -0.870 67.963 68.868 -0.059 0.000 0.868 401 T HN 0.454 nan 8.240 nan 0.000 0.444 402 A N 1.418 124.172 122.820 -0.111 0.000 1.859 402 A HA 0.125 4.445 4.320 0.001 0.000 0.217 402 A C 2.793 180.279 177.584 -0.163 0.000 1.198 402 A CA 2.282 54.255 52.037 -0.106 0.000 0.629 402 A CB -1.812 17.151 19.000 -0.061 0.000 0.830 402 A HN 0.688 nan 8.150 nan 0.000 0.446 403 G N -0.727 108.003 108.800 -0.117 0.000 2.513 403 G HA2 -0.248 3.712 3.960 0.001 0.000 0.219 403 G HA3 -0.248 3.712 3.960 0.001 0.000 0.219 403 G C 1.551 175.988 174.900 -0.772 0.000 1.160 403 G CA 1.414 46.289 45.100 -0.374 0.000 0.767 403 G HN 0.399 nan 8.290 nan 0.000 0.571 404 V N 0.090 119.646 119.914 -0.597 0.000 2.469 404 V HA -0.209 3.911 4.120 0.001 0.000 0.251 404 V C 2.926 178.854 176.094 -0.277 0.000 1.064 404 V CA 1.766 63.809 62.300 -0.429 0.000 1.066 404 V CB -0.377 31.278 31.823 -0.282 0.000 0.667 404 V HN 0.537 nan 8.190 nan 0.000 0.461 405 c N -0.122 118.338 118.600 -0.234 0.000 2.456 405 c HA 0.275 4.846 4.570 0.001 0.000 0.279 405 c C 2.134 176.139 174.090 -0.143 0.000 1.427 405 c CA 0.763 57.002 56.329 -0.151 0.000 1.778 405 c CB -0.870 41.564 42.510 -0.126 0.000 1.842 405 c HN 0.870 nan 8.230 nan 0.000 0.531 406 G N -0.541 108.145 108.800 -0.190 0.000 2.352 406 G HA2 -0.150 3.811 3.960 0.001 0.000 0.204 406 G HA3 -0.150 3.811 3.960 0.001 0.000 0.204 406 G C 0.257 175.078 174.900 -0.131 0.000 1.004 406 G CA -0.137 44.876 45.100 -0.146 0.000 0.648 406 G HN 0.399 nan 8.290 nan 0.000 0.491 407 L N 0.325 121.469 121.223 -0.132 0.000 2.394 407 L HA 0.601 4.941 4.340 0.001 0.000 0.229 407 L C 0.907 177.724 176.870 -0.088 0.000 1.225 407 L CA -0.051 54.726 54.840 -0.105 0.000 0.829 407 L CB 0.224 42.219 42.059 -0.107 0.000 1.195 407 L HN 0.105 nan 8.230 nan 0.000 0.548 408 V N -1.435 118.448 119.914 -0.052 0.000 3.242 408 V HA 0.345 4.466 4.120 0.001 0.000 0.298 408 V C -2.492 173.606 176.094 0.006 0.000 1.352 408 V CA -1.055 61.236 62.300 -0.015 0.000 1.052 408 V CB 2.534 34.350 31.823 -0.011 0.000 1.101 408 V HN 0.647 nan 8.190 nan 0.000 0.446 409 P HA 0.379 nan 4.420 nan 0.000 0.277 409 P C -0.209 177.118 177.300 0.045 0.000 1.240 409 P CA 0.118 63.243 63.100 0.043 0.000 0.798 409 P CB 2.304 34.035 31.700 0.051 0.000 0.979 410 V N 1.760 121.711 119.914 0.062 0.000 3.264 410 V HA 0.243 4.364 4.120 0.001 0.000 0.217 410 V C 0.846 176.992 176.094 0.087 0.000 1.236 410 V CA 0.874 63.218 62.300 0.073 0.000 1.287 410 V CB 0.000 31.877 31.823 0.090 0.000 1.241 410 V HN 0.593 nan 8.190 nan 0.000 0.518 411 M N -0.171 119.498 119.600 0.114 0.000 2.371 411 M HA 0.858 5.338 4.480 0.001 0.000 0.287 411 M C -1.098 175.279 176.300 0.129 0.000 1.149 411 M CA -0.649 54.720 55.300 0.114 0.000 0.929 411 M CB 2.181 34.859 32.600 0.129 0.000 1.683 411 M HN 0.099 nan 8.290 nan 0.000 0.470 412 A N 1.592 124.471 122.820 0.098 0.000 2.295 412 A HA 0.823 5.144 4.320 0.001 0.000 0.318 412 A C 0.238 177.865 177.584 0.071 0.000 1.134 412 A CA 0.251 52.347 52.037 0.098 0.000 0.827 412 A CB 0.689 19.733 19.000 0.073 0.000 1.136 412 A HN 1.082 nan 8.150 nan 0.000 0.493 413 E N -0.556 119.679 120.200 0.058 0.000 2.585 413 E HA 0.578 4.929 4.350 0.001 0.000 0.256 413 E C 0.306 176.878 176.600 -0.048 0.000 1.383 413 E CA 0.266 56.645 56.400 -0.035 0.000 1.029 413 E CB 0.077 29.724 29.700 -0.087 0.000 1.044 413 E HN 2.186 nan 8.360 nan 0.000 0.595 414 R N -1.897 118.545 120.500 -0.097 0.000 2.879 414 R HA 0.551 4.892 4.340 0.001 0.000 0.291 414 R C 0.100 176.349 176.300 -0.084 0.000 1.246 414 R CA 0.364 56.426 56.100 -0.063 0.000 1.083 414 R CB -0.919 29.361 30.300 -0.034 0.000 1.274 414 R HN 1.737 nan 8.270 nan 0.000 0.393 415 Y N 0.160 120.419 120.300 -0.069 0.000 2.500 415 Y HA 0.095 4.646 4.550 0.001 0.000 0.270 415 Y C 1.381 177.264 175.900 -0.029 0.000 1.134 415 Y CA 1.004 59.066 58.100 -0.063 0.000 1.293 415 Y CB -0.215 38.209 38.460 -0.060 0.000 1.063 415 Y HN 0.849 nan 8.280 nan 0.000 0.534 416 D N 0.308 120.698 120.400 -0.017 0.000 2.003 416 D HA -0.020 4.620 4.640 0.001 0.000 0.251 416 D C -0.751 175.547 176.300 -0.003 0.000 1.063 416 D CA 1.685 55.683 54.000 -0.003 0.000 0.968 416 D CB -0.119 40.683 40.800 0.002 0.000 1.349 416 D HN 0.553 nan 8.370 nan 0.000 0.514 417 D N -1.399 119.000 120.400 -0.001 0.000 2.756 417 D HA 0.142 4.783 4.640 0.001 0.000 0.226 417 D C -0.177 176.124 176.300 0.002 0.000 1.186 417 D CA -0.455 53.546 54.000 0.001 0.000 0.845 417 D CB 1.882 42.682 40.800 0.001 0.000 1.610 417 D HN -0.026 nan 8.370 nan 0.000 0.465 418 E N -0.432 119.770 120.200 0.004 0.000 2.516 418 E HA 0.014 4.364 4.350 0.001 0.000 0.199 418 E C 0.591 177.191 176.600 0.000 0.000 1.069 418 E CA 0.166 56.569 56.400 0.005 0.000 0.876 418 E CB -0.102 29.600 29.700 0.003 0.000 0.843 418 E HN 0.070 nan 8.360 nan 0.000 0.530 419 S N 0.818 116.517 115.700 -0.001 0.000 4.053 419 S HA 0.359 4.829 4.470 0.001 0.000 0.184 419 S C -0.225 174.376 174.600 0.002 0.000 1.324 419 S CA 0.847 59.046 58.200 -0.001 0.000 0.956 419 S CB -1.488 61.711 63.200 -0.001 0.000 1.503 419 S HN 0.489 nan 8.310 nan 0.000 0.440 420 Q N -1.115 118.687 119.800 0.003 0.000 3.366 420 Q HA 0.340 4.681 4.340 0.001 0.000 0.147 420 Q C -0.126 175.878 176.000 0.007 0.000 0.999 420 Q CA -0.374 55.432 55.803 0.005 0.000 1.176 420 Q CB -0.818 27.924 28.738 0.006 0.000 1.971 420 Q HN 0.741 nan 8.270 nan 0.000 0.586 421 c N -0.187 118.418 118.600 0.009 0.000 5.809 421 c HA 0.081 4.652 4.570 0.001 0.000 0.232 421 c C 0.714 174.812 174.090 0.014 0.000 0.528 421 c CA 1.213 57.550 56.329 0.013 0.000 2.304 421 c CB -0.552 41.967 42.510 0.015 0.000 1.440 421 c HN 2.118 nan 8.230 nan 0.000 0.309 422 S N 2.208 117.915 115.700 0.012 0.000 3.399 422 S HA 0.525 4.996 4.470 0.001 0.000 0.267 422 S C -0.042 174.565 174.600 0.011 0.000 1.088 422 S CA 1.640 59.846 58.200 0.012 0.000 1.306 422 S CB -0.568 62.637 63.200 0.008 0.000 1.601 422 S HN 1.279 nan 8.310 nan 0.000 0.558 423 K N -0.407 120.001 120.400 0.013 0.000 5.111 423 K HA 0.711 5.032 4.320 0.001 0.000 0.704 423 K C 0.138 176.747 176.600 0.014 0.000 0.871 423 K CA -0.126 56.169 56.287 0.012 0.000 0.986 423 K CB -0.698 31.808 32.500 0.010 0.000 1.921 423 K HN 1.137 nan 8.250 nan 0.000 0.934 424 T N -1.663 112.899 114.554 0.012 0.000 5.303 424 T HA 0.502 4.852 4.350 0.001 0.000 0.327 424 T C 0.900 175.607 174.700 0.011 0.000 0.894 424 T CA 1.593 63.701 62.100 0.013 0.000 0.495 424 T CB -1.070 67.806 68.868 0.014 0.000 0.575 424 T HN 1.592 nan 8.240 nan 0.000 0.269 425 D N 0.364 120.771 120.400 0.011 0.000 2.240 425 D HA 0.515 5.155 4.640 0.001 0.000 0.206 425 D C 0.918 177.225 176.300 0.011 0.000 0.963 425 D CA 1.288 55.295 54.000 0.010 0.000 0.863 425 D CB -0.091 40.715 40.800 0.010 0.000 0.973 425 D HN 1.044 nan 8.370 nan 0.000 0.501 426 E N 0.133 120.340 120.200 0.011 0.000 2.197 426 E HA 0.587 4.938 4.350 0.001 0.000 0.281 426 E C 0.339 176.944 176.600 0.009 0.000 0.995 426 E CA -0.714 55.693 56.400 0.011 0.000 0.808 426 E CB 1.194 30.900 29.700 0.010 0.000 1.093 426 E HN 0.457 nan 8.360 nan 0.000 0.394 427 R N 0.847 121.352 120.500 0.008 0.000 2.515 427 R HA 0.433 4.773 4.340 0.001 0.000 0.209 427 R C -1.461 174.838 176.300 -0.001 0.000 1.255 427 R CA -0.697 55.406 56.100 0.006 0.000 1.006 427 R CB 0.061 30.366 30.300 0.007 0.000 1.839 427 R HN 0.649 nan 8.270 nan 0.000 0.514 428 P HA 0.141 nan 4.420 nan 0.000 0.275 428 P C -1.283 175.990 177.300 -0.045 0.000 1.228 428 P CA -0.162 62.923 63.100 -0.024 0.000 0.786 428 P CB 0.694 32.377 31.700 -0.029 0.000 0.927 429 A N 2.436 125.223 122.820 -0.055 0.000 2.511 429 A HA 0.185 4.506 4.320 0.001 0.000 0.242 429 A C 0.780 178.262 177.584 -0.170 0.000 1.069 429 A CA -0.117 51.874 52.037 -0.077 0.000 0.763 429 A CB -0.440 18.525 19.000 -0.059 0.000 1.001 429 A HN 0.485 nan 8.150 nan 0.000 0.498 430 S N 1.541 117.118 115.700 -0.204 0.000 4.120 430 S HA 0.375 4.846 4.470 0.001 0.000 0.196 430 S C -0.089 173.971 174.600 -0.899 0.000 1.447 430 S CA 0.459 58.374 58.200 -0.475 0.000 0.939 430 S CB -0.944 62.177 63.200 -0.132 0.000 1.496 430 S HN 0.824 nan 8.310 nan 0.000 0.460 431 Y N 1.665 121.494 120.300 -0.784 0.000 2.434 431 Y HA 0.688 5.238 4.550 0.001 0.000 0.341 431 Y C -0.237 175.211 175.900 -0.752 0.000 0.965 431 Y CA -2.174 55.538 58.100 -0.646 0.000 1.205 431 Y CB -0.429 37.902 38.460 -0.215 0.000 1.121 431 Y HN 0.472 nan 8.280 nan 0.000 0.507 432 F N 2.433 122.164 119.950 -0.366 0.000 2.410 432 F HA 0.799 5.326 4.527 0.000 0.000 0.324 432 F C 0.751 176.496 175.800 -0.091 0.000 1.093 432 F CA -0.961 56.912 58.000 -0.211 0.000 1.028 432 F CB 1.222 40.076 39.000 -0.242 0.000 1.309 432 F HN 0.718 nan 8.300 nan 0.000 0.499 433 A N 0.079 123.002 122.820 0.171 0.000 2.269 433 A HA 0.885 5.205 4.320 0.001 0.000 0.327 433 A C -1.135 176.515 177.584 0.108 0.000 1.112 433 A CA -0.736 51.363 52.037 0.104 0.000 0.865 433 A CB 1.458 20.512 19.000 0.090 0.000 1.227 433 A HN 0.604 nan 8.150 nan 0.000 0.498 434 V N -0.504 119.465 119.914 0.092 0.000 2.915 434 V HA 0.497 4.617 4.120 0.001 0.000 0.282 434 V C -0.267 175.886 176.094 0.098 0.000 1.445 434 V CA -0.184 62.163 62.300 0.079 0.000 0.953 434 V CB 1.644 33.502 31.823 0.058 0.000 1.140 434 V HN 1.577 nan 8.190 nan 0.000 0.440 435 A N 4.774 127.667 122.820 0.123 0.000 2.309 435 A HA 0.757 5.077 4.320 0.001 0.000 0.290 435 A C -0.531 177.050 177.584 -0.005 0.000 1.206 435 A CA -0.285 51.821 52.037 0.114 0.000 0.850 435 A CB 0.773 19.927 19.000 0.256 0.000 1.118 435 A HN 0.938 nan 8.150 nan 0.000 0.523 436 V N 2.762 122.614 119.914 -0.104 0.000 2.334 436 V HA 0.605 4.726 4.120 0.001 0.000 0.281 436 V C 0.550 176.581 176.094 -0.105 0.000 1.016 436 V CA -0.215 62.024 62.300 -0.102 0.000 0.832 436 V CB 0.788 32.510 31.823 -0.169 0.000 0.999 436 V HN 1.101 nan 8.190 nan 0.000 0.439 437 A N 4.280 127.085 122.820 -0.025 0.000 2.320 437 A HA 0.935 5.256 4.320 0.001 0.000 0.334 437 A C 0.469 178.101 177.584 0.080 0.000 1.147 437 A CA -0.449 51.586 52.037 -0.004 0.000 0.820 437 A CB 0.912 19.916 19.000 0.006 0.000 1.218 437 A HN 1.074 nan 8.150 nan 0.000 0.482 438 R N 0.423 120.967 120.500 0.072 0.000 2.438 438 R HA 0.536 4.876 4.340 0.001 0.000 0.287 438 R C 1.486 177.801 176.300 0.026 0.000 1.077 438 R CA 0.897 57.058 56.100 0.102 0.000 1.034 438 R CB -1.197 29.137 30.300 0.057 0.000 0.993 438 R HN 2.145 nan 8.270 nan 0.000 0.459 439 K N -0.094 120.291 120.400 -0.026 0.000 2.393 439 K HA -0.286 4.034 4.320 0.001 0.000 0.213 439 K C 1.041 177.621 176.600 -0.032 0.000 0.942 439 K CA 3.329 59.581 56.287 -0.059 0.000 0.932 439 K CB -1.795 30.631 32.500 -0.123 0.000 1.087 439 K HN 1.939 nan 8.250 nan 0.000 0.504 440 D N -0.513 119.868 120.400 -0.031 0.000 2.346 440 D HA 0.543 5.183 4.640 0.001 0.000 0.255 440 D C -0.281 176.008 176.300 -0.017 0.000 1.276 440 D CA 0.265 54.252 54.000 -0.022 0.000 0.941 440 D CB 0.527 41.310 40.800 -0.028 0.000 1.199 440 D HN 1.109 nan 8.370 nan 0.000 0.537 441 S N -1.690 114.004 115.700 -0.010 0.000 2.575 441 S HA 0.569 5.039 4.470 0.001 0.000 0.278 441 S C 0.939 175.536 174.600 -0.006 0.000 1.139 441 S CA 0.160 58.354 58.200 -0.011 0.000 0.954 441 S CB 0.701 63.894 63.200 -0.013 0.000 1.054 441 S HN 0.962 nan 8.310 nan 0.000 0.483 442 N N 1.335 120.030 118.700 -0.009 0.000 2.717 442 N HA 0.151 4.892 4.740 0.001 0.000 0.197 442 N C 0.535 176.043 175.510 -0.003 0.000 1.215 442 N CA 1.119 54.165 53.050 -0.006 0.000 0.949 442 N CB -0.746 37.734 38.487 -0.012 0.000 0.999 442 N HN 0.795 nan 8.380 nan 0.000 0.448 443 V N 1.558 121.471 119.914 -0.001 0.000 2.408 443 V HA 0.387 4.508 4.120 0.001 0.000 0.267 443 V C -0.259 175.855 176.094 0.034 0.000 1.047 443 V CA -1.122 61.180 62.300 0.004 0.000 0.937 443 V CB 0.285 32.103 31.823 -0.009 0.000 0.999 443 V HN 0.754 nan 8.190 nan 0.000 0.472 444 N N 2.588 121.321 118.700 0.055 0.000 2.396 444 N HA 0.160 4.900 4.740 0.001 0.000 0.275 444 N C 0.088 175.697 175.510 0.166 0.000 1.218 444 N CA -0.975 52.145 53.050 0.117 0.000 0.812 444 N CB 1.299 39.843 38.487 0.095 0.000 1.592 444 N HN 0.453 nan 8.380 nan 0.000 0.480 445 W N 1.518 122.848 121.300 0.049 0.000 2.276 445 W HA -0.203 4.457 4.660 0.001 0.000 0.307 445 W C 1.646 178.201 176.519 0.060 0.000 1.240 445 W CA 2.016 59.409 57.345 0.080 0.000 1.249 445 W CB -0.396 29.110 29.460 0.078 0.000 1.140 445 W HN 0.606 nan 8.180 nan 0.000 0.519 446 N N -0.387 118.423 118.700 0.184 0.000 2.058 446 N HA -0.180 4.560 4.740 0.001 0.000 0.191 446 N C 1.166 176.655 175.510 -0.034 0.000 1.037 446 N CA 1.698 54.793 53.050 0.076 0.000 0.848 446 N CB -1.236 37.300 38.487 0.081 0.000 1.021 446 N HN 0.227 nan 8.380 nan 0.000 0.422 447 N N 1.668 120.347 118.700 -0.033 0.000 2.550 447 N HA 0.010 4.751 4.740 0.001 0.000 0.186 447 N C 1.731 177.152 175.510 -0.148 0.000 1.110 447 N CA -0.066 52.938 53.050 -0.076 0.000 0.912 447 N CB -0.252 38.209 38.487 -0.042 0.000 0.968 447 N HN 0.257 nan 8.380 nan 0.000 0.448 448 L N 1.391 122.495 121.223 -0.200 0.000 2.017 448 L HA -0.267 4.073 4.340 0.001 0.000 0.234 448 L C 1.361 177.944 176.870 -0.480 0.000 1.097 448 L CA 2.114 56.771 54.840 -0.305 0.000 0.816 448 L CB -1.492 40.294 42.059 -0.455 0.000 0.914 448 L HN 0.309 nan 8.230 nan 0.000 0.444 449 K N 0.513 120.451 120.400 -0.771 0.000 2.366 449 K HA 0.280 4.601 4.320 0.001 0.000 0.272 449 K C 0.939 177.278 176.600 -0.435 0.000 1.151 449 K CA 0.868 56.616 56.287 -0.899 0.000 1.173 449 K CB -0.928 31.102 32.500 -0.784 0.000 0.853 449 K HN 0.705 nan 8.250 nan 0.000 0.473 450 G N 1.190 109.793 108.800 -0.328 0.000 2.545 450 G HA2 -0.131 3.830 3.960 0.001 0.000 0.195 450 G HA3 -0.131 3.830 3.960 0.001 0.000 0.195 450 G C 0.196 175.059 174.900 -0.061 0.000 1.009 450 G CA 0.009 45.019 45.100 -0.151 0.000 0.703 450 G HN 0.702 nan 8.290 nan 0.000 0.479 451 K N 1.158 121.535 120.400 -0.037 0.000 2.090 451 K HA 0.643 4.963 4.320 0.001 0.000 0.250 451 K C 0.220 176.879 176.600 0.098 0.000 1.004 451 K CA -0.245 56.055 56.287 0.023 0.000 0.919 451 K CB 0.614 33.120 32.500 0.010 0.000 1.045 451 K HN 0.184 nan 8.250 nan 0.000 0.471 452 K N 1.237 121.659 120.400 0.037 0.000 2.250 452 K HA 0.151 4.472 4.320 0.001 0.000 0.285 452 K C -0.199 176.360 176.600 -0.069 0.000 1.097 452 K CA -0.340 55.953 56.287 0.010 0.000 0.913 452 K CB 0.540 33.032 32.500 -0.013 0.000 1.179 452 K HN 0.674 nan 8.250 nan 0.000 0.462 453 S N 1.154 116.759 115.700 -0.158 0.000 2.672 453 S HA 0.403 4.874 4.470 0.001 0.000 0.276 453 S C -0.185 174.175 174.600 -0.400 0.000 1.207 453 S CA -0.801 57.156 58.200 -0.407 0.000 1.002 453 S CB 1.233 63.909 63.200 -0.874 0.000 0.998 453 S HN 0.585 nan 8.310 nan 0.000 0.542 454 c N 2.843 121.159 118.600 -0.473 0.000 2.383 454 c HA 0.539 5.109 4.570 0.001 0.000 0.330 454 c C -0.127 173.829 174.090 -0.224 0.000 1.168 454 c CA -0.551 55.602 56.329 -0.293 0.000 1.374 454 c CB -0.471 41.925 42.510 -0.190 0.000 2.014 454 c HN 0.929 nan 8.230 nan 0.000 0.439 455 H N 0.930 120.077 119.070 0.128 0.000 2.500 455 H HA 0.272 4.828 4.556 0.001 0.000 0.351 455 H C 0.956 176.383 175.328 0.165 0.000 1.281 455 H CA -0.130 56.057 56.048 0.232 0.000 1.368 455 H CB 1.145 31.081 29.762 0.289 0.000 1.616 455 H HN 0.489 nan 8.280 nan 0.000 0.591 456 T N -0.491 114.278 114.554 0.359 0.000 3.040 456 T HA 0.412 4.763 4.350 0.001 0.000 0.252 456 T C -0.135 174.657 174.700 0.153 0.000 1.064 456 T CA 0.575 62.818 62.100 0.238 0.000 1.110 456 T CB 0.149 69.228 68.868 0.352 0.000 0.921 456 T HN 0.806 nan 8.240 nan 0.000 0.480 457 A N -0.580 122.337 122.820 0.162 0.000 2.612 457 A HA 0.376 4.696 4.320 0.001 0.000 0.301 457 A C -0.850 176.666 177.584 -0.113 0.000 0.918 457 A CA -0.836 51.251 52.037 0.084 0.000 0.684 457 A CB -0.055 19.065 19.000 0.199 0.000 1.217 457 A HN -0.026 nan 8.150 nan 0.000 0.392 458 V N 2.825 122.550 119.914 -0.316 0.000 2.456 458 V HA 0.399 4.519 4.120 0.001 0.000 0.247 458 V C 1.509 177.407 176.094 -0.327 0.000 1.056 458 V CA 2.613 64.491 62.300 -0.704 0.000 1.203 458 V CB -0.973 30.477 31.823 -0.620 0.000 1.185 458 V HN 2.561 nan 8.190 nan 0.000 0.477 459 G N 4.779 113.547 108.800 -0.054 0.000 2.163 459 G HA2 -0.196 3.764 3.960 0.001 0.000 0.207 459 G HA3 -0.196 3.764 3.960 0.001 0.000 0.207 459 G C 0.325 175.366 174.900 0.236 0.000 2.263 459 G CA -0.201 45.022 45.100 0.204 0.000 1.616 459 G HN 0.736 nan 8.290 nan 0.000 0.521 460 R N 2.573 123.176 120.500 0.173 0.000 2.057 460 R HA -0.052 4.288 4.340 0.001 0.000 0.157 460 R C 1.675 178.109 176.300 0.222 0.000 0.387 460 R CA 1.942 58.155 56.100 0.188 0.000 0.411 460 R CB -1.552 28.856 30.300 0.181 0.000 1.648 460 R HN 0.921 nan 8.270 nan 0.000 0.556 461 T N 0.989 115.655 114.554 0.187 0.000 2.422 461 T HA -0.457 3.893 4.350 0.001 0.000 0.175 461 T C 1.671 176.473 174.700 0.171 0.000 1.638 461 T CA 2.893 65.088 62.100 0.159 0.000 0.937 461 T CB -1.266 67.677 68.868 0.126 0.000 0.798 461 T HN 0.731 nan 8.240 nan 0.000 0.473 462 A N 1.744 124.677 122.820 0.189 0.000 1.903 462 A HA 0.087 4.407 4.320 0.001 0.000 0.219 462 A C 2.565 180.283 177.584 0.222 0.000 1.191 462 A CA 2.417 54.555 52.037 0.169 0.000 0.638 462 A CB -1.356 17.720 19.000 0.127 0.000 0.823 462 A HN 0.888 nan 8.150 nan 0.000 0.451 463 G N -5.205 103.776 108.800 0.301 0.000 3.088 463 G HA2 0.190 4.151 3.960 0.001 0.000 0.212 463 G HA3 0.190 4.151 3.960 0.001 0.000 0.212 463 G C 0.643 175.828 174.900 0.475 0.000 1.173 463 G CA 0.835 46.173 45.100 0.396 0.000 0.779 463 G HN 0.616 nan 8.290 nan 0.000 0.540 464 W N -2.153 119.171 121.300 0.040 0.000 2.633 464 W HA 0.151 4.812 4.660 0.001 0.000 0.150 464 W C 1.398 177.880 176.519 -0.062 0.000 0.754 464 W CA -0.179 57.107 57.345 -0.099 0.000 1.141 464 W CB -0.008 29.375 29.460 -0.129 0.000 0.585 464 W HN -0.117 nan 8.180 nan 0.000 0.778 465 V N 2.032 122.048 119.914 0.171 0.000 3.306 465 V HA -0.051 4.070 4.120 0.001 0.000 0.264 465 V C 1.195 177.275 176.094 -0.025 0.000 1.149 465 V CA 1.977 64.314 62.300 0.061 0.000 1.143 465 V CB -0.157 31.740 31.823 0.122 0.000 0.767 465 V HN 0.156 nan 8.190 nan 0.000 0.476 466 I N 0.101 120.660 120.570 -0.019 0.000 3.616 466 I HA 0.105 4.275 4.170 0.001 0.000 0.296 466 I C -0.420 175.648 176.117 -0.081 0.000 1.226 466 I CA 0.194 61.473 61.300 -0.034 0.000 1.394 466 I CB -0.993 37.018 38.000 0.017 0.000 1.171 466 I HN 0.237 nan 8.210 nan 0.000 0.442 467 P HA -0.073 nan 4.420 nan 0.000 0.213 467 P C 1.431 178.548 177.300 -0.304 0.000 1.169 467 P CA 1.394 64.318 63.100 -0.293 0.000 0.885 467 P CB -0.040 31.157 31.700 -0.839 0.000 0.779 468 M N 0.022 119.339 119.600 -0.471 0.000 2.804 468 M HA 0.088 4.569 4.480 0.001 0.000 0.208 468 M C 1.586 177.682 176.300 -0.341 0.000 1.109 468 M CA 0.400 55.352 55.300 -0.580 0.000 1.029 468 M CB -1.917 30.163 32.600 -0.867 0.000 1.806 468 M HN 0.038 nan 8.290 nan 0.000 0.491 469 G N 0.241 108.918 108.800 -0.205 0.000 2.805 469 G HA2 0.130 4.090 3.960 0.001 0.000 0.214 469 G HA3 0.130 4.090 3.960 0.001 0.000 0.214 469 G C 1.400 176.260 174.900 -0.067 0.000 1.220 469 G CA -0.229 44.812 45.100 -0.098 0.000 0.854 469 G HN 0.406 nan 8.290 nan 0.000 0.623 470 L N 0.784 121.997 121.223 -0.017 0.000 1.990 470 L HA -0.139 4.201 4.340 0.001 0.000 0.213 470 L C 2.837 179.789 176.870 0.137 0.000 1.072 470 L CA 1.113 55.995 54.840 0.070 0.000 0.755 470 L CB -0.817 41.292 42.059 0.084 0.000 0.889 470 L HN 0.155 nan 8.230 nan 0.000 0.432 471 I N -0.469 120.151 120.570 0.083 0.000 2.103 471 I HA -0.387 3.783 4.170 0.001 0.000 0.241 471 I C 2.135 178.013 176.117 -0.399 0.000 1.036 471 I CA 1.461 62.541 61.300 -0.367 0.000 1.300 471 I CB -0.729 36.774 38.000 -0.829 0.000 1.010 471 I HN 0.393 nan 8.210 nan 0.000 0.406 472 H N 0.779 119.706 119.070 -0.238 0.000 2.606 472 H HA -0.014 4.543 4.556 0.001 0.000 0.283 472 H C 1.095 176.350 175.328 -0.122 0.000 1.084 472 H CA 0.452 56.381 56.048 -0.199 0.000 1.191 472 H CB -0.846 28.802 29.762 -0.190 0.000 1.289 472 H HN 0.420 nan 8.280 nan 0.000 0.628 473 N N 0.563 119.258 118.700 -0.009 0.000 2.204 473 N HA 0.025 4.765 4.740 0.001 0.000 0.219 473 N C 0.662 176.180 175.510 0.014 0.000 1.151 473 N CA 0.026 53.081 53.050 0.008 0.000 0.867 473 N CB 0.591 39.088 38.487 0.016 0.000 1.043 473 N HN 0.386 nan 8.380 nan 0.000 0.516 474 R N -2.040 118.445 120.500 -0.025 0.000 2.599 474 R HA 0.095 4.435 4.340 0.001 0.000 0.248 474 R C 0.094 176.361 176.300 -0.056 0.000 0.970 474 R CA -0.078 56.008 56.100 -0.023 0.000 1.188 474 R CB 0.361 30.658 30.300 -0.004 0.000 1.736 474 R HN -0.090 nan 8.270 nan 0.000 0.504 475 T N 1.157 115.649 114.554 -0.105 0.000 3.444 475 T HA 0.282 4.633 4.350 0.001 0.000 0.265 475 T C 1.049 175.780 174.700 0.052 0.000 1.537 475 T CA 0.286 62.343 62.100 -0.070 0.000 1.530 475 T CB 0.380 69.079 68.868 -0.282 0.000 0.958 475 T HN 0.373 nan 8.240 nan 0.000 0.684 476 G N 2.238 111.051 108.800 0.022 0.000 3.847 476 G HA2 -0.248 3.712 3.960 0.001 0.000 0.224 476 G HA3 -0.248 3.712 3.960 0.001 0.000 0.224 476 G C 0.633 175.531 174.900 -0.004 0.000 0.934 476 G CA 0.905 46.009 45.100 0.006 0.000 0.728 476 G HN 0.598 nan 8.290 nan 0.000 1.367 477 T N 0.375 114.925 114.554 -0.007 0.000 2.781 477 T HA 0.099 4.450 4.350 0.001 0.000 0.270 477 T C 0.733 175.435 174.700 0.003 0.000 1.022 477 T CA 0.736 62.829 62.100 -0.013 0.000 1.144 477 T CB -0.066 68.805 68.868 0.005 0.000 1.039 477 T HN 0.556 nan 8.240 nan 0.000 0.494 478 c N 4.842 123.414 118.600 -0.046 0.000 2.565 478 c HA 0.262 4.832 4.570 0.001 0.000 0.451 478 c C 1.327 175.476 174.090 0.098 0.000 1.301 478 c CA -1.245 55.072 56.329 -0.020 0.000 1.638 478 c CB -1.847 40.396 42.510 -0.445 0.000 2.236 478 c HN 0.826 nan 8.230 nan 0.000 0.603 479 N N 1.118 119.881 118.700 0.106 0.000 2.671 479 N HA 0.107 4.847 4.740 0.001 0.000 0.274 479 N C 1.406 177.008 175.510 0.155 0.000 1.188 479 N CA -0.110 53.010 53.050 0.116 0.000 1.065 479 N CB 0.131 38.674 38.487 0.093 0.000 1.415 479 N HN 0.643 nan 8.380 nan 0.000 0.511 480 F N 1.077 121.135 119.950 0.181 0.000 2.126 480 F HA -0.160 4.367 4.527 0.001 0.000 0.299 480 F C 1.973 177.934 175.800 0.268 0.000 1.096 480 F CA 1.375 59.466 58.000 0.151 0.000 1.255 480 F CB -0.437 38.607 39.000 0.072 0.000 0.997 480 F HN 0.424 nan 8.300 nan 0.000 0.479 481 D N 0.733 121.296 120.400 0.272 0.000 2.371 481 D HA 0.157 4.798 4.640 0.001 0.000 0.234 481 D C 1.091 177.526 176.300 0.225 0.000 1.049 481 D CA 1.085 55.249 54.000 0.275 0.000 0.907 481 D CB -0.197 40.737 40.800 0.223 0.000 0.891 481 D HN 0.606 nan 8.370 nan 0.000 0.531 482 E N -0.503 119.821 120.200 0.206 0.000 2.876 482 E HA 0.038 4.388 4.350 0.001 0.000 0.208 482 E C 0.315 177.001 176.600 0.144 0.000 0.981 482 E CA -0.475 56.016 56.400 0.151 0.000 1.174 482 E CB -0.587 29.177 29.700 0.107 0.000 1.047 482 E HN 0.318 nan 8.360 nan 0.000 0.477 483 Y N -0.250 120.046 120.300 -0.007 0.000 2.265 483 Y HA 0.489 5.039 4.550 0.001 0.000 0.290 483 Y C 0.340 176.080 175.900 -0.267 0.000 1.137 483 Y CA -0.085 57.878 58.100 -0.229 0.000 1.147 483 Y CB 0.293 38.482 38.460 -0.451 0.000 1.104 483 Y HN 0.159 nan 8.280 nan 0.000 0.514 484 F N 0.333 120.289 119.950 0.010 0.000 2.406 484 F HA 0.208 4.736 4.527 0.001 0.000 0.327 484 F C 2.002 177.784 175.800 -0.030 0.000 1.153 484 F CA 0.642 58.597 58.000 -0.074 0.000 1.218 484 F CB 0.315 39.355 39.000 0.065 0.000 1.215 484 F HN -0.007 nan 8.300 nan 0.000 0.570 485 S N 0.315 116.088 115.700 0.121 0.000 2.378 485 S HA -0.137 4.333 4.470 0.001 0.000 0.221 485 S C 0.372 175.040 174.600 0.113 0.000 1.037 485 S CA 1.561 59.804 58.200 0.072 0.000 1.069 485 S CB -0.218 63.005 63.200 0.039 0.000 1.006 485 S HN 0.707 nan 8.310 nan 0.000 0.423 486 E N -1.836 118.437 120.200 0.122 0.000 2.450 486 E HA 0.674 5.024 4.350 0.001 0.000 0.272 486 E C -0.305 176.359 176.600 0.106 0.000 0.967 486 E CA -0.635 55.830 56.400 0.109 0.000 0.818 486 E CB 1.966 31.706 29.700 0.065 0.000 1.401 486 E HN 0.516 nan 8.360 nan 0.000 0.450 487 G N -0.660 108.194 108.800 0.090 0.000 2.428 487 G HA2 0.412 4.373 3.960 0.001 0.000 0.304 487 G HA3 0.412 4.373 3.960 0.001 0.000 0.304 487 G C -1.799 173.152 174.900 0.083 0.000 1.303 487 G CA -0.352 44.787 45.100 0.066 0.000 0.825 487 G HN 0.570 nan 8.290 nan 0.000 0.484 488 c N 0.664 119.324 118.600 0.100 0.000 3.078 488 c HA 0.769 5.339 4.570 0.001 0.000 0.320 488 c C 0.153 174.346 174.090 0.171 0.000 1.039 488 c CA 0.331 56.725 56.329 0.107 0.000 1.386 488 c CB -0.558 41.991 42.510 0.066 0.000 1.836 488 c HN 1.567 nan 8.230 nan 0.000 0.514 489 A N 7.718 130.637 122.820 0.166 0.000 2.786 489 A HA 0.665 4.985 4.320 0.001 0.000 0.346 489 A C -2.361 175.208 177.584 -0.026 0.000 1.265 489 A CA -1.163 50.933 52.037 0.099 0.000 0.858 489 A CB 0.182 19.148 19.000 -0.057 0.000 1.118 489 A HN 0.732 nan 8.150 nan 0.000 0.482 490 P HA 0.018 nan 4.420 nan 0.000 0.263 490 P C 0.894 178.175 177.300 -0.032 0.000 1.168 490 P CA 2.105 65.233 63.100 0.048 0.000 0.759 490 P CB 0.513 32.317 31.700 0.173 0.000 0.782 491 G N 1.170 109.937 108.800 -0.056 0.000 2.131 491 G HA2 -0.173 3.787 3.960 0.001 0.000 0.201 491 G HA3 -0.173 3.787 3.960 0.001 0.000 0.201 491 G C 0.232 175.048 174.900 -0.140 0.000 1.000 491 G CA -0.099 44.944 45.100 -0.096 0.000 0.680 491 G HN 0.622 nan 8.290 nan 0.000 0.514 492 S N 1.087 116.717 115.700 -0.116 0.000 2.707 492 S HA 0.749 5.219 4.470 0.001 0.000 0.276 492 S C -1.234 173.334 174.600 -0.053 0.000 1.179 492 S CA -0.655 57.479 58.200 -0.110 0.000 0.992 492 S CB 1.523 64.681 63.200 -0.070 0.000 1.030 492 S HN 0.372 nan 8.310 nan 0.000 0.554 493 P HA 0.092 nan 4.420 nan 0.000 0.273 493 P C -2.030 175.268 177.300 -0.002 0.000 1.258 493 P CA -0.833 62.261 63.100 -0.009 0.000 0.802 493 P CB -0.456 31.250 31.700 0.010 0.000 1.040 494 P HA -0.196 nan 4.420 nan 0.000 0.202 494 P C 1.409 178.718 177.300 0.014 0.000 1.189 494 P CA 1.270 64.374 63.100 0.005 0.000 0.921 494 P CB -0.378 31.325 31.700 0.005 0.000 0.756 495 N N 0.364 119.074 118.700 0.017 0.000 2.018 495 N HA -0.140 4.601 4.740 0.001 0.000 0.196 495 N C 1.083 176.612 175.510 0.031 0.000 1.043 495 N CA 1.732 54.796 53.050 0.023 0.000 0.856 495 N CB -0.810 37.691 38.487 0.023 0.000 1.042 495 N HN 0.232 nan 8.380 nan 0.000 0.423 496 S N -1.723 113.998 115.700 0.035 0.000 2.853 496 S HA -0.304 4.167 4.470 0.001 0.000 0.636 496 S C 0.916 175.552 174.600 0.061 0.000 3.113 496 S CA 2.986 61.216 58.200 0.049 0.000 3.314 496 S CB -0.787 62.441 63.200 0.045 0.000 0.332 496 S HN 0.907 nan 8.310 nan 0.000 1.797 497 R N -0.477 120.073 120.500 0.082 0.000 2.551 497 R HA 0.532 4.873 4.340 0.001 0.000 0.202 497 R C 2.121 178.491 176.300 0.115 0.000 0.861 497 R CA 0.821 56.977 56.100 0.093 0.000 1.018 497 R CB -0.695 29.666 30.300 0.103 0.000 1.435 497 R HN 0.657 nan 8.270 nan 0.000 0.659 498 L N 0.493 121.801 121.223 0.142 0.000 2.558 498 L HA 0.167 4.507 4.340 0.001 0.000 0.225 498 L C 1.683 178.630 176.870 0.128 0.000 1.128 498 L CA 0.696 55.642 54.840 0.176 0.000 0.868 498 L CB 0.470 42.684 42.059 0.257 0.000 1.006 498 L HN 0.608 nan 8.230 nan 0.000 0.454 499 c N -0.810 117.843 118.600 0.087 0.000 2.780 499 c HA 0.283 4.854 4.570 0.001 0.000 0.287 499 c C 2.232 176.354 174.090 0.053 0.000 1.288 499 c CA 0.603 56.966 56.329 0.058 0.000 1.713 499 c CB -0.459 42.070 42.510 0.032 0.000 1.955 499 c HN 0.582 nan 8.230 nan 0.000 0.613 500 Q N 0.647 120.483 119.800 0.060 0.000 2.013 500 Q HA 0.121 4.461 4.340 0.001 0.000 0.195 500 Q C 2.054 178.081 176.000 0.045 0.000 0.974 500 Q CA 1.468 57.300 55.803 0.049 0.000 0.826 500 Q CB -0.909 27.860 28.738 0.051 0.000 0.895 500 Q HN 0.759 nan 8.270 nan 0.000 0.448 501 L N 0.964 122.214 121.223 0.045 0.000 2.211 501 L HA -0.181 4.159 4.340 0.001 0.000 0.216 501 L C 1.082 177.974 176.870 0.036 0.000 1.092 501 L CA 0.053 54.913 54.840 0.033 0.000 0.767 501 L CB -0.803 41.270 42.059 0.023 0.000 0.894 501 L HN 0.498 nan 8.230 nan 0.000 0.437 502 c N 0.390 119.018 118.600 0.047 0.000 2.692 502 c HA -0.063 4.507 4.570 0.001 0.000 0.409 502 c C 1.588 175.709 174.090 0.053 0.000 1.284 502 c CA -0.265 56.098 56.329 0.056 0.000 1.909 502 c CB 0.370 42.916 42.510 0.060 0.000 2.713 502 c HN 0.466 nan 8.230 nan 0.000 0.649 503 Q N 0.962 120.801 119.800 0.065 0.000 2.140 503 Q HA 0.164 4.504 4.340 0.001 0.000 0.227 503 Q C 1.462 177.504 176.000 0.070 0.000 0.798 503 Q CA 0.554 56.397 55.803 0.066 0.000 0.987 503 Q CB -0.008 28.776 28.738 0.077 0.000 1.161 503 Q HN 1.074 nan 8.270 nan 0.000 0.480 504 G N 3.152 111.996 108.800 0.073 0.000 3.304 504 G HA2 -0.395 3.565 3.960 0.001 0.000 0.859 504 G HA3 -0.395 3.565 3.960 0.001 0.000 0.859 504 G C 0.293 175.225 174.900 0.053 0.000 0.958 504 G CA 1.552 46.692 45.100 0.067 0.000 0.765 504 G HN 0.737 nan 8.290 nan 0.000 1.149 505 S N -0.105 115.615 115.700 0.034 0.000 4.234 505 S HA 0.044 4.515 4.470 0.001 0.000 0.500 505 S C 1.651 176.267 174.600 0.027 0.000 1.062 505 S CA 0.974 59.188 58.200 0.023 0.000 0.852 505 S CB -0.459 62.752 63.200 0.017 0.000 1.045 505 S HN 2.135 nan 8.310 nan 0.000 0.429 506 G N 3.659 112.471 108.800 0.019 0.000 2.553 506 G HA2 0.208 4.169 3.960 0.001 0.000 0.218 506 G HA3 0.208 4.169 3.960 0.001 0.000 0.218 506 G C 1.015 175.926 174.900 0.018 0.000 1.195 506 G CA 0.728 45.839 45.100 0.017 0.000 0.779 506 G HN 1.940 nan 8.290 nan 0.000 0.577 507 G N -1.435 107.373 108.800 0.014 0.000 4.195 507 G HA2 0.422 4.382 3.960 0.001 0.000 0.150 507 G HA3 0.422 4.382 3.960 0.001 0.000 0.150 507 G C 0.718 175.624 174.900 0.010 0.000 1.058 507 G CA 0.654 45.762 45.100 0.014 0.000 0.859 507 G HN 0.774 nan 8.290 nan 0.000 0.547 508 I N 1.655 122.229 120.570 0.007 0.000 3.080 508 I HA 0.613 4.784 4.170 0.001 0.000 0.183 508 I C -1.389 174.731 176.117 0.004 0.000 1.432 508 I CA -0.904 60.398 61.300 0.005 0.000 0.614 508 I CB -1.320 36.681 38.000 0.002 0.000 1.876 508 I HN 0.012 nan 8.210 nan 0.000 0.995 509 P HA 0.029 nan 4.420 nan 0.000 0.225 509 P C -2.429 174.872 177.300 0.002 0.000 1.054 509 P CA -0.586 62.515 63.100 0.001 0.000 1.244 509 P CB -1.524 30.175 31.700 -0.002 0.000 1.310 510 P HA -0.104 nan 4.420 nan 0.000 0.212 510 P C 0.310 177.614 177.300 0.007 0.000 0.974 510 P CA 0.665 63.771 63.100 0.010 0.000 1.226 510 P CB -0.168 31.539 31.700 0.012 0.000 1.258 511 E N 1.856 122.058 120.200 0.003 0.000 2.379 511 E HA -0.009 4.342 4.350 0.001 0.000 0.209 511 E C 0.262 176.864 176.600 0.003 0.000 1.284 511 E CA -0.152 56.246 56.400 -0.003 0.000 1.333 511 E CB -0.189 29.503 29.700 -0.013 0.000 1.307 511 E HN 0.410 nan 8.360 nan 0.000 0.441 512 K N 0.741 121.148 120.400 0.012 0.000 2.440 512 K HA -0.114 4.207 4.320 0.001 0.000 0.275 512 K C 0.087 176.698 176.600 0.018 0.000 1.082 512 K CA 0.271 56.571 56.287 0.021 0.000 1.135 512 K CB 0.092 32.606 32.500 0.024 0.000 0.864 512 K HN 0.472 nan 8.250 nan 0.000 0.479 513 c N 2.193 120.809 118.600 0.027 0.000 3.756 513 c HA -0.113 4.457 4.570 0.001 0.000 0.306 513 c C -0.216 173.875 174.090 0.001 0.000 1.131 513 c CA -0.151 56.193 56.329 0.026 0.000 2.333 513 c CB -2.516 40.011 42.510 0.028 0.000 1.414 513 c HN 0.604 nan 8.230 nan 0.000 0.576 514 V N 1.599 121.507 119.914 -0.011 0.000 3.046 514 V HA 0.997 5.118 4.120 0.001 0.000 0.316 514 V C 0.850 176.893 176.094 -0.085 0.000 1.104 514 V CA -0.007 62.261 62.300 -0.054 0.000 1.006 514 V CB 1.641 33.420 31.823 -0.073 0.000 1.058 514 V HN 1.899 nan 8.190 nan 0.000 0.440 515 A N 1.163 123.897 122.820 -0.143 0.000 2.359 515 A HA 0.573 4.893 4.320 0.001 0.000 0.240 515 A C 0.920 178.063 177.584 -0.735 0.000 1.306 515 A CA 0.225 52.130 52.037 -0.221 0.000 0.898 515 A CB -0.826 18.106 19.000 -0.114 0.000 0.956 515 A HN 0.802 nan 8.150 nan 0.000 0.497 516 S N -1.788 113.512 115.700 -0.667 0.000 2.776 516 S HA 0.427 4.897 4.470 0.001 0.000 0.306 516 S C 1.340 175.544 174.600 -0.660 0.000 1.114 516 S CA -0.216 57.502 58.200 -0.804 0.000 0.973 516 S CB 1.505 64.494 63.200 -0.352 0.000 1.250 516 S HN 0.327 nan 8.310 nan 0.000 0.549 517 S N 0.644 116.169 115.700 -0.292 0.000 2.496 517 S HA 0.028 4.499 4.470 0.001 0.000 0.224 517 S C 1.991 176.599 174.600 0.013 0.000 0.996 517 S CA 0.986 59.203 58.200 0.028 0.000 0.927 517 S CB -0.746 62.493 63.200 0.064 0.000 0.774 517 S HN 0.827 nan 8.310 nan 0.000 0.524 518 H N 0.965 120.004 119.070 -0.051 0.000 2.538 518 H HA 0.057 4.614 4.556 0.001 0.000 0.294 518 H C 0.902 176.235 175.328 0.008 0.000 1.083 518 H CA 1.621 57.654 56.048 -0.026 0.000 1.233 518 H CB -0.371 29.362 29.762 -0.049 0.000 1.360 518 H HN 0.625 nan 8.280 nan 0.000 0.571 519 E N -0.243 119.977 120.200 0.033 0.000 2.259 519 E HA 0.334 4.685 4.350 0.001 0.000 0.257 519 E C -0.123 176.556 176.600 0.130 0.000 0.998 519 E CA -0.835 55.613 56.400 0.080 0.000 0.866 519 E CB 0.867 30.622 29.700 0.093 0.000 1.220 519 E HN 0.241 nan 8.360 nan 0.000 0.415 520 K N 0.709 121.198 120.400 0.148 0.000 2.832 520 K HA 0.182 4.502 4.320 0.001 0.000 0.211 520 K C -0.413 176.333 176.600 0.243 0.000 1.112 520 K CA 0.377 56.785 56.287 0.202 0.000 1.108 520 K CB 0.861 33.479 32.500 0.197 0.000 0.899 520 K HN 0.577 nan 8.250 nan 0.000 0.464 521 Y N -0.650 119.783 120.300 0.222 0.000 3.147 521 Y HA 0.123 4.673 4.550 0.001 0.000 0.322 521 Y C -0.345 175.673 175.900 0.197 0.000 0.956 521 Y CA -1.636 56.577 58.100 0.188 0.000 1.205 521 Y CB -0.843 37.694 38.460 0.129 0.000 1.401 521 Y HN 0.127 nan 8.280 nan 0.000 0.565 522 F N 2.445 122.444 119.950 0.083 0.000 2.450 522 F HA 0.550 5.077 4.527 0.001 0.000 0.339 522 F C 0.871 176.713 175.800 0.069 0.000 1.146 522 F CA 1.184 59.221 58.000 0.061 0.000 1.267 522 F CB 0.893 39.913 39.000 0.034 0.000 1.178 522 F HN 1.334 nan 8.300 nan 0.000 0.585 523 G N 4.564 112.837 108.800 -0.878 0.000 2.645 523 G HA2 -0.339 3.621 3.960 0.001 0.000 0.239 523 G HA3 -0.339 3.621 3.960 0.001 0.000 0.239 523 G C 0.192 175.013 174.900 -0.131 0.000 1.331 523 G CA 0.171 44.815 45.100 -0.760 0.000 0.890 523 G HN 0.824 nan 8.290 nan 0.000 0.572 524 Y N 0.505 120.707 120.300 -0.163 0.000 2.174 524 Y HA -0.073 4.477 4.550 0.001 0.000 0.273 524 Y C 3.454 179.330 175.900 -0.041 0.000 1.087 524 Y CA 1.375 59.434 58.100 -0.069 0.000 1.078 524 Y CB -0.994 37.439 38.460 -0.046 0.000 1.010 524 Y HN 0.703 nan 8.280 nan 0.000 0.478 525 T N -0.774 113.882 114.554 0.171 0.000 2.701 525 T HA -0.308 4.042 4.350 0.001 0.000 0.265 525 T C 1.873 176.694 174.700 0.202 0.000 1.032 525 T CA 1.433 63.626 62.100 0.155 0.000 1.158 525 T CB -1.293 67.665 68.868 0.151 0.000 0.854 525 T HN 0.615 nan 8.240 nan 0.000 0.463 526 G N 0.759 109.671 108.800 0.186 0.000 2.426 526 G HA2 0.254 4.214 3.960 0.001 0.000 0.214 526 G HA3 0.254 4.214 3.960 0.001 0.000 0.214 526 G C 1.842 176.795 174.900 0.088 0.000 1.156 526 G CA 0.666 45.912 45.100 0.244 0.000 0.802 526 G HN 0.695 nan 8.290 nan 0.000 0.534 527 A N 0.934 123.790 122.820 0.059 0.000 1.855 527 A HA 0.072 4.393 4.320 0.001 0.000 0.215 527 A C 2.316 179.854 177.584 -0.077 0.000 1.191 527 A CA 1.333 53.378 52.037 0.013 0.000 0.613 527 A CB -0.633 18.403 19.000 0.059 0.000 0.829 527 A HN 0.344 nan 8.150 nan 0.000 0.442 528 L N -0.487 120.689 121.223 -0.079 0.000 1.978 528 L HA -0.345 3.996 4.340 0.001 0.000 0.218 528 L C 3.010 179.725 176.870 -0.258 0.000 1.075 528 L CA 3.054 57.787 54.840 -0.179 0.000 0.767 528 L CB -1.037 40.917 42.059 -0.175 0.000 0.890 528 L HN 0.597 nan 8.230 nan 0.000 0.434 529 R N -0.152 120.156 120.500 -0.320 0.000 2.292 529 R HA -0.389 3.951 4.340 0.001 0.000 0.223 529 R C 2.412 178.398 176.300 -0.523 0.000 1.088 529 R CA 2.741 58.387 56.100 -0.756 0.000 0.849 529 R CB -2.417 27.195 30.300 -1.146 0.000 0.852 529 R HN 0.855 nan 8.270 nan 0.000 0.424 530 c N 0.248 118.635 118.600 -0.356 0.000 2.284 530 c HA -0.272 4.298 4.570 0.001 0.000 0.254 530 c C 2.505 176.480 174.090 -0.193 0.000 1.073 530 c CA 2.245 58.446 56.329 -0.214 0.000 1.836 530 c CB -1.347 41.092 42.510 -0.119 0.000 1.997 530 c HN 0.823 nan 8.230 nan 0.000 0.414 531 L N 1.366 122.478 121.223 -0.185 0.000 2.211 531 L HA -0.128 4.213 4.340 0.001 0.000 0.216 531 L C 2.555 179.360 176.870 -0.109 0.000 1.092 531 L CA 2.974 57.725 54.840 -0.148 0.000 0.767 531 L CB -1.048 40.916 42.059 -0.158 0.000 0.894 531 L HN 0.753 nan 8.230 nan 0.000 0.437 532 V N -2.026 117.803 119.914 -0.142 0.000 2.232 532 V HA -0.092 4.029 4.120 0.001 0.000 0.239 532 V C 2.697 178.733 176.094 -0.097 0.000 1.040 532 V CA 1.960 64.200 62.300 -0.100 0.000 0.996 532 V CB -1.594 30.139 31.823 -0.150 0.000 0.638 532 V HN 0.397 nan 8.190 nan 0.000 0.453 533 E N 2.538 122.660 120.200 -0.129 0.000 2.002 533 E HA -0.298 4.052 4.350 0.001 0.000 0.213 533 E C 2.104 178.671 176.600 -0.056 0.000 1.024 533 E CA 2.680 59.034 56.400 -0.077 0.000 0.876 533 E CB -0.962 28.694 29.700 -0.074 0.000 0.799 533 E HN 0.843 nan 8.360 nan 0.000 0.497 534 K N -0.441 119.923 120.400 -0.059 0.000 2.190 534 K HA 0.192 4.512 4.320 0.001 0.000 0.202 534 K C 1.846 178.414 176.600 -0.054 0.000 1.045 534 K CA 0.425 56.686 56.287 -0.043 0.000 0.976 534 K CB -1.307 31.175 32.500 -0.029 0.000 0.849 534 K HN 0.512 nan 8.250 nan 0.000 0.468 535 G N 2.212 110.967 108.800 -0.075 0.000 3.377 535 G HA2 -0.170 3.790 3.960 0.001 0.000 0.230 535 G HA3 -0.170 3.790 3.960 0.001 0.000 0.230 535 G C -0.283 174.567 174.900 -0.084 0.000 1.240 535 G CA 0.466 45.509 45.100 -0.094 0.000 0.860 535 G HN 0.319 nan 8.290 nan 0.000 0.585 536 D N -1.283 119.057 120.400 -0.101 0.000 2.525 536 D HA 0.287 4.927 4.640 0.001 0.000 0.231 536 D C 0.354 176.584 176.300 -0.116 0.000 1.216 536 D CA 0.257 54.209 54.000 -0.080 0.000 0.813 536 D CB 1.226 41.997 40.800 -0.047 0.000 1.108 536 D HN 0.227 nan 8.370 nan 0.000 0.524 537 V N -0.191 119.602 119.914 -0.202 0.000 3.285 537 V HA 0.788 4.908 4.120 0.001 0.000 0.293 537 V C -1.580 174.253 176.094 -0.435 0.000 1.563 537 V CA -1.174 60.932 62.300 -0.323 0.000 1.058 537 V CB 2.167 33.721 31.823 -0.449 0.000 1.142 537 V HN -0.008 nan 8.190 nan 0.000 0.470 538 A N 1.017 123.498 122.820 -0.565 0.000 2.538 538 A HA 0.706 5.027 4.320 0.001 0.000 0.293 538 A C -1.324 176.006 177.584 -0.423 0.000 1.065 538 A CA -0.396 51.359 52.037 -0.469 0.000 0.936 538 A CB 0.326 19.158 19.000 -0.280 0.000 1.481 538 A HN 0.713 nan 8.150 nan 0.000 0.394 539 F N 2.955 122.870 119.950 -0.059 0.000 2.494 539 F HA 0.532 5.060 4.527 0.001 0.000 0.351 539 F C 0.541 176.325 175.800 -0.027 0.000 1.205 539 F CA 0.304 58.313 58.000 0.016 0.000 1.125 539 F CB 0.191 39.254 39.000 0.105 0.000 1.268 539 F HN 0.445 nan 8.300 nan 0.000 0.593 540 I N 0.883 121.461 120.570 0.013 0.000 3.343 540 I HA 0.213 4.384 4.170 0.001 0.000 0.315 540 I C -0.300 175.667 176.117 -0.250 0.000 1.153 540 I CA -1.198 59.997 61.300 -0.176 0.000 0.952 540 I CB 2.182 40.063 38.000 -0.199 0.000 1.287 540 I HN 0.358 nan 8.210 nan 0.000 0.472 541 Q N 1.387 120.852 119.800 -0.559 0.000 2.421 541 Q HA -0.010 4.330 4.340 0.001 0.000 0.255 541 Q C 0.823 176.802 176.000 -0.034 0.000 1.013 541 Q CA -0.045 55.573 55.803 -0.308 0.000 0.895 541 Q CB 0.687 29.170 28.738 -0.426 0.000 1.271 541 Q HN 0.670 nan 8.270 nan 0.000 0.460 542 H N 0.696 119.749 119.070 -0.029 0.000 2.326 542 H HA -0.066 4.491 4.556 0.001 0.000 0.301 542 H C 1.318 176.650 175.328 0.007 0.000 1.081 542 H CA 1.771 57.831 56.048 0.021 0.000 1.334 542 H CB -0.301 29.544 29.762 0.137 0.000 1.385 542 H HN 0.435 nan 8.280 nan 0.000 0.504 543 S N 0.206 115.418 115.700 -0.812 0.000 2.754 543 S HA 0.049 4.519 4.470 0.001 0.000 0.223 543 S C 1.225 175.696 174.600 -0.215 0.000 0.951 543 S CA 0.307 58.151 58.200 -0.595 0.000 0.954 543 S CB -0.654 62.132 63.200 -0.690 0.000 0.780 543 S HN 0.546 nan 8.310 nan 0.000 0.509 544 T N 0.347 114.815 114.554 -0.144 0.000 3.067 544 T HA 0.104 4.455 4.350 0.001 0.000 0.257 544 T C 1.575 176.215 174.700 -0.101 0.000 1.105 544 T CA 0.499 62.561 62.100 -0.065 0.000 1.104 544 T CB 0.151 68.981 68.868 -0.063 0.000 0.925 544 T HN 0.249 nan 8.240 nan 0.000 0.498 545 V N 1.454 121.277 119.914 -0.152 0.000 2.535 545 V HA 0.036 4.157 4.120 0.001 0.000 0.246 545 V C 2.865 178.917 176.094 -0.069 0.000 1.045 545 V CA 2.043 64.223 62.300 -0.201 0.000 1.058 545 V CB -0.580 31.108 31.823 -0.225 0.000 0.689 545 V HN 0.625 nan 8.190 nan 0.000 0.461 546 E N -0.186 119.985 120.200 -0.048 0.000 2.482 546 E HA -0.151 4.199 4.350 0.001 0.000 0.196 546 E C 1.770 178.373 176.600 0.005 0.000 1.047 546 E CA 0.931 57.328 56.400 -0.006 0.000 0.869 546 E CB -0.331 29.353 29.700 -0.027 0.000 0.836 546 E HN 0.820 nan 8.360 nan 0.000 0.520 547 E N -0.860 119.338 120.200 -0.003 0.000 2.099 547 E HA -0.007 4.343 4.350 0.001 0.000 0.191 547 E C 2.481 179.110 176.600 0.048 0.000 0.962 547 E CA 0.785 57.197 56.400 0.020 0.000 0.826 547 E CB -0.007 29.705 29.700 0.020 0.000 0.788 547 E HN 0.573 nan 8.360 nan 0.000 0.461 548 N N 1.719 120.453 118.700 0.057 0.000 2.376 548 N HA -0.056 4.684 4.740 0.001 0.000 0.177 548 N C 1.249 176.839 175.510 0.133 0.000 1.024 548 N CA 1.264 54.380 53.050 0.110 0.000 0.893 548 N CB -0.136 38.429 38.487 0.131 0.000 0.980 548 N HN 0.207 nan 8.380 nan 0.000 0.439 549 T N -3.609 111.017 114.554 0.120 0.000 2.829 549 T HA 0.551 4.901 4.350 0.001 0.000 0.282 549 T C 0.671 175.438 174.700 0.113 0.000 0.990 549 T CA 0.126 62.326 62.100 0.167 0.000 1.028 549 T CB 1.176 70.215 68.868 0.284 0.000 0.951 549 T HN 1.320 nan 8.240 nan 0.000 0.460 550 G N 1.372 110.231 108.800 0.099 0.000 2.337 550 G HA2 0.356 4.316 3.960 0.001 0.000 0.134 550 G HA3 0.356 4.316 3.960 0.001 0.000 0.134 550 G C 0.789 175.722 174.900 0.054 0.000 1.052 550 G CA 0.044 45.183 45.100 0.066 0.000 0.737 550 G HN 2.167 nan 8.290 nan 0.000 0.485 551 G N -1.252 107.584 108.800 0.059 0.000 2.356 551 G HA2 0.212 4.172 3.960 0.001 0.000 0.296 551 G HA3 0.212 4.172 3.960 0.001 0.000 0.296 551 G C 0.897 175.821 174.900 0.041 0.000 1.022 551 G CA 1.893 47.021 45.100 0.046 0.000 0.961 551 G HN 2.022 nan 8.290 nan 0.000 0.510 552 K N -0.865 119.565 120.400 0.050 0.000 2.474 552 K HA 0.334 4.655 4.320 0.001 0.000 0.202 552 K C 0.942 177.566 176.600 0.040 0.000 1.248 552 K CA 0.655 56.966 56.287 0.040 0.000 0.946 552 K CB 0.282 32.807 32.500 0.042 0.000 1.102 552 K HN 0.399 nan 8.250 nan 0.000 0.541 553 N N 1.344 120.080 118.700 0.060 0.000 3.040 553 N HA 0.129 4.869 4.740 0.001 0.000 0.305 553 N C -0.524 175.007 175.510 0.034 0.000 1.611 553 N CA -0.130 52.952 53.050 0.053 0.000 1.049 553 N CB 0.587 39.148 38.487 0.125 0.000 1.342 553 N HN 0.286 nan 8.380 nan 0.000 0.497 554 K N 0.116 120.523 120.400 0.010 0.000 2.737 554 K HA -0.037 4.284 4.320 0.001 0.000 0.206 554 K C 0.697 177.280 176.600 -0.028 0.000 0.986 554 K CA 0.070 56.359 56.287 0.003 0.000 1.006 554 K CB -0.066 32.432 32.500 -0.002 0.000 0.824 554 K HN 0.360 nan 8.250 nan 0.000 0.484 555 A N 0.937 123.713 122.820 -0.074 0.000 2.351 555 A HA 0.040 4.361 4.320 0.001 0.000 0.257 555 A C 0.480 178.029 177.584 -0.058 0.000 1.087 555 A CA -0.510 51.431 52.037 -0.160 0.000 0.798 555 A CB 0.381 19.121 19.000 -0.435 0.000 1.033 555 A HN 0.151 nan 8.150 nan 0.000 0.488 556 D N 0.379 120.754 120.400 -0.041 0.000 2.357 556 D HA -0.153 4.487 4.640 0.001 0.000 0.216 556 D C 1.372 177.768 176.300 0.160 0.000 0.973 556 D CA 1.830 55.858 54.000 0.046 0.000 0.912 556 D CB -0.108 40.714 40.800 0.036 0.000 0.900 556 D HN 0.847 nan 8.370 nan 0.000 0.501 557 W N 0.679 121.996 121.300 0.028 0.000 2.630 557 W HA 0.391 5.052 4.660 0.000 0.000 0.271 557 W C 1.097 177.643 176.519 0.046 0.000 1.244 557 W CA 0.320 57.686 57.345 0.035 0.000 1.353 557 W CB -0.601 28.881 29.460 0.037 0.000 1.080 557 W HN -0.079 nan 8.180 nan 0.000 0.594 558 A N 0.922 124.089 122.820 0.580 0.000 2.630 558 A HA 0.299 4.620 4.320 0.001 0.000 0.290 558 A C 1.675 179.380 177.584 0.202 0.000 1.267 558 A CA -0.262 52.014 52.037 0.398 0.000 0.950 558 A CB -0.470 18.798 19.000 0.447 0.000 1.144 558 A HN 0.222 nan 8.150 nan 0.000 0.527 559 K N 0.709 121.203 120.400 0.157 0.000 1.991 559 K HA -0.192 4.129 4.320 0.001 0.000 0.212 559 K C 0.768 177.415 176.600 0.078 0.000 1.049 559 K CA 2.298 58.638 56.287 0.088 0.000 0.932 559 K CB -0.062 32.480 32.500 0.070 0.000 0.717 559 K HN 0.578 nan 8.250 nan 0.000 0.441 560 N N 0.026 118.772 118.700 0.076 0.000 2.205 560 N HA 0.074 4.814 4.740 0.001 0.000 0.201 560 N C -0.470 175.071 175.510 0.052 0.000 1.128 560 N CA -0.212 52.870 53.050 0.052 0.000 0.867 560 N CB 0.321 38.827 38.487 0.032 0.000 0.996 560 N HN 0.008 nan 8.380 nan 0.000 0.503 561 L N 1.870 123.147 121.223 0.090 0.000 2.536 561 L HA -0.048 4.292 4.340 0.001 0.000 0.294 561 L C 0.414 177.336 176.870 0.086 0.000 1.257 561 L CA 1.298 56.197 54.840 0.099 0.000 0.850 561 L CB -0.105 42.084 42.059 0.216 0.000 1.105 561 L HN 0.505 nan 8.230 nan 0.000 0.517 562 Q N 1.615 121.444 119.800 0.047 0.000 2.364 562 Q HA 0.249 4.590 4.340 0.001 0.000 0.257 562 Q C 0.210 176.243 176.000 0.054 0.000 0.956 562 Q CA -0.640 55.198 55.803 0.058 0.000 0.924 562 Q CB 0.935 29.672 28.738 -0.001 0.000 1.413 562 Q HN 0.495 nan 8.270 nan 0.000 0.418 563 M N 0.583 120.317 119.600 0.224 0.000 2.195 563 M HA -0.279 4.202 4.480 0.001 0.000 0.254 563 M C 1.228 177.597 176.300 0.114 0.000 1.083 563 M CA 2.056 57.544 55.300 0.312 0.000 1.069 563 M CB -0.490 32.217 32.600 0.178 0.000 1.364 563 M HN 0.837 nan 8.290 nan 0.000 0.403 564 D N 0.753 121.152 120.400 -0.002 0.000 2.280 564 D HA -0.179 4.461 4.640 0.001 0.000 0.206 564 D C 1.282 177.489 176.300 -0.156 0.000 0.988 564 D CA 1.174 55.140 54.000 -0.056 0.000 0.886 564 D CB -0.181 40.587 40.800 -0.054 0.000 0.914 564 D HN 0.461 nan 8.370 nan 0.000 0.473 565 D N -1.476 118.703 120.400 -0.369 0.000 2.354 565 D HA 0.006 4.647 4.640 0.001 0.000 0.209 565 D C 0.297 176.197 176.300 -0.666 0.000 1.015 565 D CA 0.269 53.907 54.000 -0.603 0.000 0.867 565 D CB 0.332 40.615 40.800 -0.861 0.000 0.933 565 D HN 0.243 nan 8.370 nan 0.000 0.520 566 F N 0.728 120.661 119.950 -0.028 0.000 2.661 566 F HA 0.542 5.070 4.527 0.000 0.000 0.347 566 F C 0.311 176.094 175.800 -0.029 0.000 1.086 566 F CA -1.078 56.901 58.000 -0.035 0.000 1.016 566 F CB 1.234 40.207 39.000 -0.045 0.000 1.368 566 F HN -0.408 nan 8.300 nan 0.000 0.505 567 E N 0.606 120.923 120.200 0.196 0.000 2.352 567 E HA 0.456 4.807 4.350 0.001 0.000 0.280 567 E C -1.825 174.813 176.600 0.063 0.000 0.930 567 E CA -0.829 55.629 56.400 0.096 0.000 0.765 567 E CB 2.987 32.719 29.700 0.054 0.000 1.219 567 E HN 0.402 nan 8.360 nan 0.000 0.434 568 L N 2.495 123.742 121.223 0.039 0.000 2.305 568 L HA 0.398 4.738 4.340 0.001 0.000 0.281 568 L C -0.245 176.645 176.870 0.033 0.000 1.085 568 L CA -0.581 54.273 54.840 0.024 0.000 0.813 568 L CB 0.131 42.196 42.059 0.010 0.000 1.157 568 L HN 0.286 nan 8.230 nan 0.000 0.436 569 L N 2.944 124.202 121.223 0.058 0.000 2.281 569 L HA 0.316 4.656 4.340 0.001 0.000 0.285 569 L C -0.124 176.781 176.870 0.060 0.000 1.074 569 L CA -0.379 54.519 54.840 0.097 0.000 0.817 569 L CB 0.767 42.945 42.059 0.197 0.000 1.168 569 L HN 0.735 nan 8.230 nan 0.000 0.434 570 c N 1.138 119.745 118.600 0.011 0.000 2.403 570 c HA 0.232 4.802 4.570 0.001 0.000 0.361 570 c C 2.034 176.042 174.090 -0.137 0.000 1.274 570 c CA -0.574 55.711 56.329 -0.073 0.000 2.433 570 c CB 1.044 43.517 42.510 -0.061 0.000 2.323 570 c HN 0.877 nan 8.230 nan 0.000 0.614 571 T N 0.336 114.705 114.554 -0.308 0.000 2.942 571 T HA -0.116 4.235 4.350 0.001 0.000 0.265 571 T C 1.233 175.852 174.700 -0.135 0.000 1.062 571 T CA 1.267 63.086 62.100 -0.467 0.000 1.139 571 T CB -0.321 68.143 68.868 -0.674 0.000 0.883 571 T HN 0.673 nan 8.240 nan 0.000 0.468 572 D N 0.798 121.139 120.400 -0.098 0.000 2.271 572 D HA -0.069 4.571 4.640 0.001 0.000 0.207 572 D C 1.911 178.221 176.300 0.016 0.000 0.983 572 D CA 1.467 55.446 54.000 -0.035 0.000 0.878 572 D CB -0.107 40.669 40.800 -0.041 0.000 0.920 572 D HN 0.603 nan 8.370 nan 0.000 0.479 573 G N -0.170 108.656 108.800 0.044 0.000 2.284 573 G HA2 -0.284 3.676 3.960 0.001 0.000 0.216 573 G HA3 -0.284 3.676 3.960 0.001 0.000 0.216 573 G C 0.786 175.714 174.900 0.047 0.000 1.009 573 G CA 0.379 45.523 45.100 0.074 0.000 0.625 573 G HN 0.705 nan 8.290 nan 0.000 0.501 574 R N 0.796 121.308 120.500 0.019 0.000 2.756 574 R HA 0.663 5.003 4.340 0.001 0.000 0.264 574 R C 0.548 176.856 176.300 0.012 0.000 1.026 574 R CA 1.088 57.192 56.100 0.007 0.000 1.121 574 R CB -0.233 30.061 30.300 -0.010 0.000 0.999 574 R HN 0.664 nan 8.270 nan 0.000 0.449 575 R N 1.445 121.951 120.500 0.011 0.000 2.547 575 R HA 0.416 4.756 4.340 0.001 0.000 0.280 575 R C -0.328 175.975 176.300 0.006 0.000 1.630 575 R CA -0.116 55.993 56.100 0.015 0.000 1.470 575 R CB 1.464 31.779 30.300 0.024 0.000 1.178 575 R HN 0.932 nan 8.270 nan 0.000 0.591 576 A N 1.833 124.650 122.820 -0.005 0.000 2.387 576 A HA 0.033 4.353 4.320 0.001 0.000 0.251 576 A C 0.503 178.087 177.584 0.000 0.000 1.113 576 A CA -0.211 51.820 52.037 -0.010 0.000 0.794 576 A CB 0.231 19.215 19.000 -0.027 0.000 1.069 576 A HN 0.595 nan 8.150 nan 0.000 0.506 577 N N -1.437 117.263 118.700 -0.000 0.000 2.260 577 N HA 0.064 4.804 4.740 0.001 0.000 0.230 577 N C 1.261 176.783 175.510 0.020 0.000 1.323 577 N CA 0.522 53.579 53.050 0.012 0.000 0.897 577 N CB 0.337 38.829 38.487 0.008 0.000 1.146 577 N HN 0.319 nan 8.380 nan 0.000 0.460 578 V N 0.423 120.362 119.914 0.041 0.000 2.759 578 V HA -0.160 3.961 4.120 0.001 0.000 0.256 578 V C 1.825 177.935 176.094 0.027 0.000 1.080 578 V CA 1.525 63.854 62.300 0.049 0.000 1.101 578 V CB -0.697 31.184 31.823 0.098 0.000 0.698 578 V HN 0.603 nan 8.190 nan 0.000 0.477 579 M N -0.267 119.345 119.600 0.022 0.000 2.510 579 M HA 0.114 4.595 4.480 0.001 0.000 0.256 579 M C 0.575 176.870 176.300 -0.009 0.000 1.132 579 M CA 0.472 55.781 55.300 0.015 0.000 1.105 579 M CB 0.002 32.614 32.600 0.020 0.000 1.375 579 M HN 0.207 nan 8.290 nan 0.000 0.477 580 D N 1.009 121.395 120.400 -0.023 0.000 2.652 580 D HA -0.038 4.602 4.640 0.001 0.000 0.247 580 D C 1.602 177.846 176.300 -0.093 0.000 1.232 580 D CA 0.294 54.263 54.000 -0.052 0.000 0.863 580 D CB -0.814 39.961 40.800 -0.041 0.000 1.023 580 D HN 0.467 nan 8.370 nan 0.000 0.474 581 Y N 0.671 120.911 120.300 -0.100 0.000 2.114 581 Y HA -0.323 4.228 4.550 0.001 0.000 0.282 581 Y C 2.813 178.485 175.900 -0.380 0.000 1.165 581 Y CA 2.487 60.489 58.100 -0.164 0.000 1.148 581 Y CB -1.076 37.343 38.460 -0.068 0.000 0.972 581 Y HN 0.417 nan 8.280 nan 0.000 0.504 582 R N 1.071 121.260 120.500 -0.518 0.000 2.200 582 R HA -0.100 4.240 4.340 0.001 0.000 0.234 582 R C 1.595 177.683 176.300 -0.354 0.000 1.127 582 R CA 1.635 57.323 56.100 -0.687 0.000 0.989 582 R CB -1.110 28.882 30.300 -0.512 0.000 0.869 582 R HN 0.833 nan 8.270 nan 0.000 0.459 583 E N -1.525 118.540 120.200 -0.225 0.000 2.423 583 E HA 0.270 4.620 4.350 0.001 0.000 0.198 583 E C -0.763 175.765 176.600 -0.121 0.000 1.038 583 E CA -0.199 56.116 56.400 -0.141 0.000 1.011 583 E CB 0.225 29.866 29.700 -0.099 0.000 1.118 583 E HN 0.444 nan 8.360 nan 0.000 0.451 584 c N 0.443 118.958 118.600 -0.143 0.000 2.931 584 c HA 0.416 4.987 4.570 0.001 0.000 0.380 584 c C -1.034 172.992 174.090 -0.106 0.000 0.876 584 c CA -0.024 56.240 56.329 -0.109 0.000 1.188 584 c CB -1.279 41.184 42.510 -0.078 0.000 1.500 584 c HN 0.421 nan 8.230 nan 0.000 0.597 585 N N 2.639 121.276 118.700 -0.105 0.000 2.277 585 N HA 0.661 5.401 4.740 0.001 0.000 0.286 585 N C 0.257 175.735 175.510 -0.052 0.000 1.140 585 N CA -0.315 52.701 53.050 -0.057 0.000 0.799 585 N CB 1.177 39.639 38.487 -0.042 0.000 1.596 585 N HN 0.524 nan 8.380 nan 0.000 0.473 586 L N -0.017 121.200 121.223 -0.010 0.000 2.465 586 L HA 0.410 4.751 4.340 0.001 0.000 0.224 586 L C 1.022 177.884 176.870 -0.014 0.000 1.145 586 L CA 1.337 56.162 54.840 -0.025 0.000 0.834 586 L CB -0.370 41.731 42.059 0.070 0.000 0.944 586 L HN 1.035 nan 8.230 nan 0.000 0.451 587 A N -0.984 121.852 122.820 0.027 0.000 2.555 587 A HA 0.502 4.822 4.320 0.001 0.000 0.299 587 A C -0.923 176.718 177.584 0.095 0.000 0.962 587 A CA -0.188 51.872 52.037 0.038 0.000 0.646 587 A CB 0.291 19.302 19.000 0.019 0.000 1.327 587 A HN -0.040 nan 8.150 nan 0.000 0.428 588 E N 0.192 120.442 120.200 0.083 0.000 2.114 588 E HA 0.631 4.981 4.350 0.001 0.000 0.266 588 E C -0.285 176.301 176.600 -0.023 0.000 0.896 588 E CA -0.259 56.174 56.400 0.056 0.000 0.750 588 E CB 1.001 30.764 29.700 0.104 0.000 1.121 588 E HN 2.156 nan 8.360 nan 0.000 0.413 589 V N 0.801 120.681 119.914 -0.057 0.000 2.427 589 V HA 0.849 4.970 4.120 0.001 0.000 0.286 589 V C -2.142 173.927 176.094 -0.042 0.000 1.034 589 V CA -1.891 60.395 62.300 -0.023 0.000 0.893 589 V CB 1.214 33.051 31.823 0.024 0.000 0.982 589 V HN 0.689 nan 8.190 nan 0.000 0.452 590 P HA 0.395 nan 4.420 nan 0.000 0.282 590 P C -0.203 177.135 177.300 0.064 0.000 1.259 590 P CA -0.196 62.907 63.100 0.006 0.000 0.826 590 P CB 1.247 32.953 31.700 0.009 0.000 1.064 591 T N 0.647 115.246 114.554 0.075 0.000 2.898 591 T HA 0.134 4.484 4.350 0.001 0.000 0.301 591 T C 0.728 175.562 174.700 0.224 0.000 1.049 591 T CA -0.259 61.932 62.100 0.152 0.000 1.095 591 T CB -0.131 68.782 68.868 0.076 0.000 0.976 591 T HN 0.327 nan 8.240 nan 0.000 0.539 592 H N 0.098 119.199 119.070 0.051 0.000 2.964 592 H HA 0.362 4.919 4.556 0.001 0.000 0.368 592 H C 0.207 175.583 175.328 0.080 0.000 1.212 592 H CA -0.304 55.784 56.048 0.068 0.000 1.421 592 H CB 0.322 30.132 29.762 0.080 0.000 1.385 592 H HN 0.771 nan 8.280 nan 0.000 0.614 593 A N 1.388 124.328 122.820 0.200 0.000 2.500 593 A HA 0.247 4.567 4.320 0.001 0.000 0.288 593 A C -0.514 177.144 177.584 0.125 0.000 1.045 593 A CA -0.785 51.348 52.037 0.161 0.000 0.830 593 A CB 0.551 19.620 19.000 0.116 0.000 1.337 593 A HN 0.449 nan 8.150 nan 0.000 0.400 594 V N 3.003 123.023 119.914 0.177 0.000 2.756 594 V HA 0.021 4.142 4.120 0.001 0.000 0.274 594 V C 1.196 177.305 176.094 0.025 0.000 0.959 594 V CA 1.000 63.371 62.300 0.117 0.000 1.172 594 V CB -1.231 30.750 31.823 0.262 0.000 0.878 594 V HN 1.300 nan 8.190 nan 0.000 0.459 595 V N 5.066 124.948 119.914 -0.053 0.000 2.785 595 V HA 0.905 5.025 4.120 0.001 0.000 0.300 595 V C 0.132 176.158 176.094 -0.113 0.000 1.062 595 V CA 0.359 62.621 62.300 -0.063 0.000 1.029 595 V CB 1.612 33.389 31.823 -0.076 0.000 1.024 595 V HN 0.943 nan 8.190 nan 0.000 0.477 596 V N -0.173 119.689 119.914 -0.087 0.000 3.129 596 V HA 0.925 5.046 4.120 0.001 0.000 0.310 596 V C -0.142 175.903 176.094 -0.081 0.000 1.593 596 V CA -0.734 61.504 62.300 -0.103 0.000 0.995 596 V CB 0.769 32.551 31.823 -0.069 0.000 1.033 596 V HN 1.516 nan 8.190 nan 0.000 0.482 597 R N 0.854 121.311 120.500 -0.071 0.000 2.407 597 R HA 0.801 5.142 4.340 0.001 0.000 0.303 597 R C -1.642 174.651 176.300 -0.013 0.000 0.981 597 R CA -1.383 54.687 56.100 -0.050 0.000 0.905 597 R CB -0.059 30.205 30.300 -0.060 0.000 1.099 597 R HN 0.841 nan 8.270 nan 0.000 0.459 598 P HA -0.188 nan 4.420 nan 0.000 0.231 598 P C -0.202 177.110 177.300 0.021 0.000 1.158 598 P CA 1.175 64.280 63.100 0.009 0.000 0.763 598 P CB 0.359 32.062 31.700 0.005 0.000 0.805 599 E N 0.606 120.827 120.200 0.035 0.000 2.060 599 E HA -0.018 4.333 4.350 0.001 0.000 0.189 599 E C 1.331 177.956 176.600 0.042 0.000 0.974 599 E CA 0.606 57.036 56.400 0.050 0.000 0.808 599 E CB -0.127 29.641 29.700 0.113 0.000 0.768 599 E HN 0.151 nan 8.360 nan 0.000 0.453 600 K N 0.252 120.676 120.400 0.040 0.000 2.562 600 K HA 0.477 4.798 4.320 0.001 0.000 0.206 600 K C -0.594 176.020 176.600 0.024 0.000 1.033 600 K CA -0.163 56.144 56.287 0.034 0.000 1.029 600 K CB 0.829 33.351 32.500 0.036 0.000 1.393 600 K HN 0.122 nan 8.250 nan 0.000 0.539 601 A N 2.766 125.603 122.820 0.028 0.000 2.083 601 A HA 0.082 4.402 4.320 0.001 0.000 0.209 601 A C 1.340 178.951 177.584 0.044 0.000 1.969 601 A CA -0.084 51.972 52.037 0.032 0.000 0.933 601 A CB -0.258 18.758 19.000 0.026 0.000 1.304 601 A HN 0.645 nan 8.150 nan 0.000 0.621 602 N N 0.594 119.318 118.700 0.040 0.000 2.242 602 N HA -0.273 4.467 4.740 0.001 0.000 0.193 602 N C 1.683 177.223 175.510 0.051 0.000 1.000 602 N CA 2.256 55.333 53.050 0.043 0.000 0.885 602 N CB -0.251 38.257 38.487 0.035 0.000 0.988 602 N HN 0.657 nan 8.380 nan 0.000 0.444 603 K N 0.794 121.225 120.400 0.052 0.000 2.211 603 K HA 0.120 4.440 4.320 0.001 0.000 0.201 603 K C 1.897 178.543 176.600 0.077 0.000 1.052 603 K CA 0.154 56.475 56.287 0.058 0.000 0.973 603 K CB -0.251 32.279 32.500 0.050 0.000 0.766 603 K HN 0.014 nan 8.250 nan 0.000 0.466 604 I N 1.659 122.278 120.570 0.080 0.000 2.315 604 I HA -0.198 3.972 4.170 0.001 0.000 0.248 604 I C 3.045 179.247 176.117 0.142 0.000 1.117 604 I CA 1.762 63.129 61.300 0.111 0.000 1.404 604 I CB -0.760 37.293 38.000 0.088 0.000 1.071 604 I HN 0.510 nan 8.210 nan 0.000 0.419 605 R N 0.084 120.653 120.500 0.116 0.000 2.148 605 R HA -0.170 4.171 4.340 0.001 0.000 0.223 605 R C 1.820 178.188 176.300 0.113 0.000 1.088 605 R CA 1.774 57.946 56.100 0.121 0.000 0.985 605 R CB -1.250 29.105 30.300 0.092 0.000 0.880 605 R HN 0.376 nan 8.270 nan 0.000 0.451 606 D N -0.019 120.439 120.400 0.097 0.000 2.106 606 D HA 0.059 4.700 4.640 0.001 0.000 0.203 606 D C 2.036 178.397 176.300 0.102 0.000 0.977 606 D CA 1.877 55.928 54.000 0.085 0.000 0.844 606 D CB -0.113 40.728 40.800 0.068 0.000 1.002 606 D HN 0.262 nan 8.370 nan 0.000 0.461 607 L N 0.665 121.955 121.223 0.112 0.000 2.737 607 L HA 0.178 4.518 4.340 0.001 0.000 0.246 607 L C 1.654 178.635 176.870 0.185 0.000 1.153 607 L CA 0.745 55.661 54.840 0.128 0.000 0.920 607 L CB -0.891 41.235 42.059 0.111 0.000 1.090 607 L HN 0.203 nan 8.230 nan 0.000 0.430 608 L N -1.499 119.842 121.223 0.196 0.000 2.624 608 L HA 0.210 4.551 4.340 0.001 0.000 0.222 608 L C 2.336 179.315 176.870 0.182 0.000 1.046 608 L CA 1.419 56.416 54.840 0.261 0.000 0.872 608 L CB 0.496 42.741 42.059 0.310 0.000 1.190 608 L HN 0.636 nan 8.230 nan 0.000 0.487 609 E N 1.110 121.392 120.200 0.136 0.000 2.418 609 E HA -0.113 4.237 4.350 0.001 0.000 0.197 609 E C 1.865 178.505 176.600 0.068 0.000 1.026 609 E CA 1.388 57.843 56.400 0.091 0.000 0.862 609 E CB -0.027 29.721 29.700 0.079 0.000 0.799 609 E HN 0.296 nan 8.360 nan 0.000 0.518 610 R N -0.334 120.219 120.500 0.087 0.000 2.265 610 R HA 0.306 4.647 4.340 0.001 0.000 0.194 610 R C 2.114 178.469 176.300 0.092 0.000 0.931 610 R CA 1.081 57.226 56.100 0.075 0.000 1.032 610 R CB -1.287 29.061 30.300 0.079 0.000 0.980 610 R HN 0.379 nan 8.270 nan 0.000 0.497 611 Q N 1.058 120.936 119.800 0.130 0.000 2.322 611 Q HA 0.156 4.497 4.340 0.001 0.000 0.203 611 Q C 1.436 177.462 176.000 0.043 0.000 0.923 611 Q CA 0.969 56.883 55.803 0.184 0.000 0.949 611 Q CB -0.397 28.555 28.738 0.355 0.000 1.039 611 Q HN 0.887 nan 8.270 nan 0.000 0.496 612 E N -0.395 119.780 120.200 -0.043 0.000 2.290 612 E HA 0.036 4.387 4.350 0.001 0.000 0.197 612 E C 1.646 178.135 176.600 -0.184 0.000 0.948 612 E CA 0.378 56.655 56.400 -0.206 0.000 0.895 612 E CB 0.270 29.865 29.700 -0.175 0.000 0.865 612 E HN 0.497 nan 8.360 nan 0.000 0.486 613 K N 0.980 121.327 120.400 -0.088 0.000 2.057 613 K HA -0.133 4.187 4.320 0.001 0.000 0.207 613 K C 2.614 179.147 176.600 -0.112 0.000 1.049 613 K CA 1.709 57.944 56.287 -0.086 0.000 0.931 613 K CB -0.225 32.254 32.500 -0.035 0.000 0.714 613 K HN 0.041 nan 8.250 nan 0.000 0.440 614 R N 1.336 121.811 120.500 -0.041 0.000 2.060 614 R HA 0.007 4.347 4.340 0.001 0.000 0.225 614 R C 0.742 176.801 176.300 -0.402 0.000 1.155 614 R CA 1.322 57.374 56.100 -0.079 0.000 0.930 614 R CB -1.247 29.214 30.300 0.268 0.000 0.829 614 R HN 0.047 nan 8.270 nan 0.000 0.433 615 F N -0.241 119.576 119.950 -0.221 0.000 2.388 615 F HA 0.622 5.149 4.527 0.001 0.000 0.358 615 F C 0.754 176.181 175.800 -0.621 0.000 1.122 615 F CA -0.852 56.893 58.000 -0.424 0.000 1.056 615 F CB 1.853 40.542 39.000 -0.519 0.000 1.155 615 F HN 0.638 nan 8.300 nan 0.000 0.461 616 G N 1.929 110.376 108.800 -0.588 0.000 2.404 616 G HA2 0.272 4.233 3.960 0.001 0.000 0.230 616 G HA3 0.272 4.233 3.960 0.001 0.000 0.230 616 G C -0.275 174.307 174.900 -0.530 0.000 1.516 616 G CA -0.596 44.036 45.100 -0.780 0.000 1.026 616 G HN 0.659 nan 8.290 nan 0.000 0.660 617 V N 2.041 121.677 119.914 -0.465 0.000 2.283 617 V HA -0.430 3.690 4.120 0.001 0.000 0.175 617 V C 2.137 178.100 176.094 -0.218 0.000 0.848 617 V CA 1.933 64.081 62.300 -0.254 0.000 1.558 617 V CB -0.828 30.907 31.823 -0.146 0.000 0.831 617 V HN 0.894 nan 8.190 nan 0.000 0.485 618 N N 2.580 121.183 118.700 -0.161 0.000 2.738 618 N HA 0.012 4.752 4.740 0.001 0.000 0.220 618 N C 0.247 175.663 175.510 -0.158 0.000 1.546 618 N CA 0.945 53.917 53.050 -0.131 0.000 0.924 618 N CB -0.653 37.781 38.487 -0.088 0.000 1.271 618 N HN 0.775 nan 8.380 nan 0.000 0.504 619 G N -0.837 107.832 108.800 -0.219 0.000 2.415 619 G HA2 0.121 4.082 3.960 0.001 0.000 0.317 619 G HA3 0.121 4.082 3.960 0.001 0.000 0.317 619 G C 0.902 175.653 174.900 -0.248 0.000 1.152 619 G CA -0.457 44.499 45.100 -0.239 0.000 0.956 619 G HN 0.089 nan 8.290 nan 0.000 0.458 620 S N 2.211 117.798 115.700 -0.189 0.000 2.399 620 S HA -0.251 4.219 4.470 0.001 0.000 0.235 620 S C 2.260 176.721 174.600 -0.232 0.000 1.063 620 S CA 2.499 60.595 58.200 -0.172 0.000 1.070 620 S CB -0.057 63.069 63.200 -0.123 0.000 0.904 620 S HN 0.936 nan 8.310 nan 0.000 0.456 621 E N 0.953 120.945 120.200 -0.345 0.000 2.357 621 E HA 0.108 4.459 4.350 0.001 0.000 0.194 621 E C 1.346 177.615 176.600 -0.553 0.000 1.177 621 E CA 0.744 56.859 56.400 -0.476 0.000 0.998 621 E CB -0.904 28.367 29.700 -0.715 0.000 1.106 621 E HN 0.730 nan 8.360 nan 0.000 0.470 622 K N 0.634 120.811 120.400 -0.372 0.000 2.211 622 K HA -0.195 4.126 4.320 0.001 0.000 0.204 622 K C 2.311 178.806 176.600 -0.175 0.000 1.047 622 K CA 1.790 57.904 56.287 -0.289 0.000 0.935 622 K CB -0.223 32.153 32.500 -0.208 0.000 0.728 622 K HN 0.493 nan 8.250 nan 0.000 0.452 623 S N 0.355 115.970 115.700 -0.141 0.000 2.399 623 S HA -0.106 4.364 4.470 0.001 0.000 0.231 623 S C 1.714 176.302 174.600 -0.019 0.000 1.022 623 S CA 0.618 58.779 58.200 -0.064 0.000 0.983 623 S CB -0.090 63.079 63.200 -0.053 0.000 0.803 623 S HN 0.208 nan 8.310 nan 0.000 0.480 624 K N 0.926 121.288 120.400 -0.063 0.000 1.975 624 K HA 0.237 4.558 4.320 0.001 0.000 0.210 624 K C 0.276 177.064 176.600 0.314 0.000 1.041 624 K CA 0.930 57.275 56.287 0.096 0.000 0.942 624 K CB -0.476 32.032 32.500 0.014 0.000 0.729 624 K HN 0.615 nan 8.250 nan 0.000 0.439 625 F N -1.211 118.750 119.950 0.017 0.000 2.786 625 F HA 0.276 4.803 4.527 0.001 0.000 0.299 625 F C -0.898 174.966 175.800 0.106 0.000 0.931 625 F CA -0.572 57.498 58.000 0.118 0.000 1.160 625 F CB -0.724 38.403 39.000 0.213 0.000 1.437 625 F HN -0.032 nan 8.300 nan 0.000 0.733 626 M N 6.744 125.978 119.600 -0.611 0.000 2.252 626 M HA 0.389 4.869 4.480 0.001 0.000 0.333 626 M C 1.523 177.008 176.300 -1.358 0.000 1.111 626 M CA 0.421 55.231 55.300 -0.816 0.000 1.140 626 M CB 0.049 32.321 32.600 -0.548 0.000 1.538 626 M HN 0.944 nan 8.290 nan 0.000 0.448 627 M N 0.358 119.167 119.600 -1.319 0.000 2.557 627 M HA 0.082 4.562 4.480 0.001 0.000 0.259 627 M C 0.824 176.800 176.300 -0.539 0.000 1.086 627 M CA 1.949 56.456 55.300 -1.321 0.000 1.096 627 M CB -0.921 30.761 32.600 -1.530 0.000 1.424 627 M HN 0.779 nan 8.290 nan 0.000 0.488 628 F N 0.983 120.625 119.950 -0.514 0.000 2.749 628 F HA 0.276 4.803 4.527 0.001 0.000 0.300 628 F C 1.173 176.908 175.800 -0.108 0.000 1.103 628 F CA -0.788 57.052 58.000 -0.267 0.000 1.342 628 F CB 0.150 38.980 39.000 -0.284 0.000 1.098 628 F HN 0.125 nan 8.300 nan 0.000 0.586 629 E N 1.469 121.689 120.200 0.033 0.000 2.422 629 E HA 0.026 4.376 4.350 0.001 0.000 0.260 629 E C 0.364 177.107 176.600 0.239 0.000 1.108 629 E CA 0.489 56.979 56.400 0.150 0.000 0.943 629 E CB 1.092 30.931 29.700 0.232 0.000 0.961 629 E HN 0.120 nan 8.360 nan 0.000 0.443 630 S N 0.480 116.285 115.700 0.176 0.000 2.645 630 S HA 0.114 4.585 4.470 0.001 0.000 0.168 630 S C -0.095 174.561 174.600 0.093 0.000 0.988 630 S CA -0.603 57.684 58.200 0.144 0.000 1.132 630 S CB 0.306 63.583 63.200 0.127 0.000 1.691 630 S HN 0.457 nan 8.310 nan 0.000 0.457 631 Q N 0.740 120.589 119.800 0.082 0.000 2.225 631 Q HA -0.300 4.040 4.340 0.001 0.000 0.216 631 Q C 0.695 176.721 176.000 0.043 0.000 0.856 631 Q CA 2.427 58.260 55.803 0.049 0.000 1.323 631 Q CB -2.548 26.208 28.738 0.029 0.000 1.936 631 Q HN 2.014 nan 8.270 nan 0.000 0.569 632 N N -2.218 116.513 118.700 0.052 0.000 4.080 632 N HA 0.033 4.774 4.740 0.001 0.000 0.266 632 N C -0.112 175.424 175.510 0.044 0.000 1.031 632 N CA 0.753 53.828 53.050 0.043 0.000 0.671 632 N CB -1.578 36.928 38.487 0.031 0.000 1.379 632 N HN 0.582 nan 8.380 nan 0.000 0.623 633 K N -1.646 118.786 120.400 0.053 0.000 2.013 633 K HA 0.665 4.986 4.320 0.001 0.000 0.256 633 K C -1.911 174.726 176.600 0.062 0.000 0.608 633 K CA -0.601 55.718 56.287 0.054 0.000 0.474 633 K CB 0.398 32.930 32.500 0.053 0.000 1.490 633 K HN 0.012 nan 8.250 nan 0.000 0.446 634 D N 0.629 121.070 120.400 0.068 0.000 2.468 634 D HA 0.390 5.031 4.640 0.001 0.000 0.272 634 D C -0.957 175.399 176.300 0.093 0.000 1.221 634 D CA -0.130 53.914 54.000 0.074 0.000 0.860 634 D CB 1.196 42.031 40.800 0.057 0.000 1.190 634 D HN 0.503 nan 8.370 nan 0.000 0.509 635 L N 0.050 121.340 121.223 0.110 0.000 2.352 635 L HA 0.936 5.276 4.340 0.001 0.000 0.269 635 L C 2.028 178.980 176.870 0.137 0.000 1.034 635 L CA -0.149 54.761 54.840 0.117 0.000 0.806 635 L CB 0.096 42.221 42.059 0.111 0.000 1.244 635 L HN 0.488 nan 8.230 nan 0.000 0.447 636 L N -0.439 120.860 121.223 0.126 0.000 3.783 636 L HA -0.376 3.965 4.340 0.001 0.000 0.053 636 L C 1.940 178.797 176.870 -0.021 0.000 4.185 636 L CA 3.503 58.382 54.840 0.064 0.000 0.841 636 L CB -2.618 39.444 42.059 0.005 0.000 3.418 636 L HN 1.258 nan 8.230 nan 0.000 0.835 637 F N -0.389 119.618 119.950 0.095 0.000 2.335 637 F HA 0.453 4.981 4.527 0.001 0.000 0.249 637 F C 2.029 177.802 175.800 -0.045 0.000 1.162 637 F CA 1.448 59.470 58.000 0.037 0.000 1.015 637 F CB -0.246 38.697 39.000 -0.095 0.000 1.054 637 F HN 0.596 nan 8.300 nan 0.000 0.587 638 K N -1.861 118.627 120.400 0.147 0.000 2.367 638 K HA 0.222 4.543 4.320 0.001 0.000 0.314 638 K C -0.240 176.371 176.600 0.019 0.000 0.977 638 K CA -0.107 56.172 56.287 -0.013 0.000 0.829 638 K CB 0.509 32.917 32.500 -0.153 0.000 3.516 638 K HN 0.062 nan 8.250 nan 0.000 1.221 639 D N -1.166 119.214 120.400 -0.033 0.000 1.874 639 D HA 0.052 4.693 4.640 0.001 0.000 0.411 639 D C 1.306 177.606 176.300 -0.000 0.000 1.282 639 D CA -0.005 54.011 54.000 0.026 0.000 1.161 639 D CB 0.029 40.849 40.800 0.034 0.000 2.504 639 D HN 0.100 nan 8.370 nan 0.000 0.334 640 L N 1.898 123.101 121.223 -0.034 0.000 2.083 640 L HA 0.038 4.379 4.340 0.001 0.000 0.209 640 L C 0.565 177.397 176.870 -0.062 0.000 1.083 640 L CA 1.469 56.288 54.840 -0.034 0.000 0.752 640 L CB -1.230 40.807 42.059 -0.035 0.000 0.899 640 L HN 0.144 nan 8.230 nan 0.000 0.433 641 T N 0.421 114.879 114.554 -0.159 0.000 2.816 641 T HA -0.010 4.341 4.350 0.001 0.000 0.342 641 T C 1.157 175.787 174.700 -0.116 0.000 1.066 641 T CA 1.325 63.267 62.100 -0.264 0.000 1.130 641 T CB 0.537 69.000 68.868 -0.676 0.000 1.074 641 T HN 0.553 nan 8.240 nan 0.000 0.525 642 K N -0.648 119.718 120.400 -0.057 0.000 2.567 642 K HA 0.420 4.740 4.320 0.001 0.000 0.199 642 K C 0.694 177.388 176.600 0.157 0.000 1.412 642 K CA 0.532 56.870 56.287 0.086 0.000 1.020 642 K CB 0.156 32.672 32.500 0.026 0.000 1.487 642 K HN 0.829 nan 8.250 nan 0.000 0.531 643 c N 1.334 119.967 118.600 0.056 0.000 2.535 643 c HA 0.725 5.296 4.570 0.001 0.000 0.319 643 c C -0.895 173.206 174.090 0.017 0.000 1.171 643 c CA -0.943 55.427 56.329 0.069 0.000 1.394 643 c CB 0.258 42.789 42.510 0.034 0.000 1.990 643 c HN 0.503 nan 8.230 nan 0.000 0.466 644 L N 6.800 128.056 121.223 0.055 0.000 2.449 644 L HA 0.337 4.678 4.340 0.001 0.000 0.255 644 L C 1.182 178.087 176.870 0.059 0.000 1.167 644 L CA -0.098 54.763 54.840 0.036 0.000 1.090 644 L CB -0.915 41.191 42.059 0.077 0.000 1.385 644 L HN 0.862 nan 8.230 nan 0.000 0.411 645 F N 1.520 121.493 119.950 0.039 0.000 2.650 645 F HA 0.050 4.577 4.527 0.001 0.000 0.355 645 F C 0.862 176.696 175.800 0.056 0.000 1.163 645 F CA -0.076 57.949 58.000 0.041 0.000 1.374 645 F CB -0.241 38.775 39.000 0.027 0.000 1.065 645 F HN 0.417 nan 8.300 nan 0.000 0.616 646 K N 2.957 123.388 120.400 0.053 0.000 2.183 646 K HA 0.582 4.903 4.320 0.001 0.000 0.274 646 K C -0.817 175.811 176.600 0.047 0.000 1.009 646 K CA -0.417 55.905 56.287 0.058 0.000 0.888 646 K CB 1.999 34.533 32.500 0.056 0.000 1.078 646 K HN 0.600 nan 8.250 nan 0.000 0.459 647 V N 2.508 122.452 119.914 0.050 0.000 2.649 647 V HA 0.221 4.342 4.120 0.001 0.000 0.292 647 V C 1.014 177.130 176.094 0.036 0.000 1.055 647 V CA -0.675 61.649 62.300 0.040 0.000 1.023 647 V CB 0.782 32.630 31.823 0.041 0.000 0.992 647 V HN 0.902 nan 8.190 nan 0.000 0.480 648 R N 2.306 122.823 120.500 0.029 0.000 2.585 648 R HA 0.172 4.512 4.340 0.001 0.000 0.275 648 R C 0.489 176.805 176.300 0.026 0.000 1.018 648 R CA 0.178 56.293 56.100 0.026 0.000 1.072 648 R CB -0.454 29.858 30.300 0.021 0.000 0.953 648 R HN 1.009 nan 8.270 nan 0.000 0.419 649 E N 1.586 121.801 120.200 0.025 0.000 2.589 649 E HA 0.162 4.512 4.350 0.001 0.000 0.266 649 E C 1.519 178.132 176.600 0.022 0.000 1.387 649 E CA 1.539 57.953 56.400 0.024 0.000 1.155 649 E CB -0.087 29.626 29.700 0.022 0.000 0.967 649 E HN 1.502 nan 8.360 nan 0.000 0.529 650 G N 0.703 109.515 108.800 0.020 0.000 2.380 650 G HA2 -0.312 3.648 3.960 0.001 0.000 0.298 650 G HA3 -0.312 3.648 3.960 0.001 0.000 0.298 650 G C 0.509 175.422 174.900 0.021 0.000 0.989 650 G CA 1.074 46.185 45.100 0.019 0.000 0.836 650 G HN 0.549 nan 8.290 nan 0.000 0.511 651 T N -0.325 114.243 114.554 0.024 0.000 2.801 651 T HA 0.649 4.999 4.350 0.001 0.000 0.324 651 T C 0.745 175.465 174.700 0.034 0.000 1.088 651 T CA 0.767 62.882 62.100 0.026 0.000 0.975 651 T CB 0.858 69.742 68.868 0.027 0.000 1.316 651 T HN 0.461 nan 8.240 nan 0.000 0.533 652 T N -0.966 113.613 114.554 0.042 0.000 2.769 652 T HA 0.276 4.626 4.350 0.001 0.000 0.306 652 T C 0.433 175.202 174.700 0.116 0.000 1.400 652 T CA -0.760 61.389 62.100 0.081 0.000 1.007 652 T CB 0.701 69.620 68.868 0.085 0.000 1.392 652 T HN 0.715 nan 8.240 nan 0.000 0.500 653 Y N 0.759 121.005 120.300 -0.090 0.000 2.352 653 Y HA 0.137 4.688 4.550 0.001 0.000 0.292 653 Y C 1.982 177.775 175.900 -0.178 0.000 1.136 653 Y CA 0.716 58.752 58.100 -0.107 0.000 1.227 653 Y CB -0.229 38.165 38.460 -0.110 0.000 0.991 653 Y HN 0.382 nan 8.280 nan 0.000 0.545 654 K N 1.098 121.231 120.400 -0.445 0.000 1.963 654 K HA -0.174 4.147 4.320 0.001 0.000 0.216 654 K C 1.862 178.286 176.600 -0.292 0.000 1.045 654 K CA 1.911 57.779 56.287 -0.699 0.000 0.954 654 K CB -0.342 31.868 32.500 -0.482 0.000 0.732 654 K HN 0.345 nan 8.250 nan 0.000 0.442 655 E N -0.463 119.656 120.200 -0.135 0.000 2.233 655 E HA -0.297 4.054 4.350 0.001 0.000 0.210 655 E C 2.095 178.670 176.600 -0.042 0.000 1.046 655 E CA 2.386 58.751 56.400 -0.058 0.000 0.844 655 E CB -0.457 29.231 29.700 -0.020 0.000 0.741 655 E HN 0.467 nan 8.360 nan 0.000 0.465 656 F N 0.624 120.549 119.950 -0.041 0.000 2.325 656 F HA 0.090 4.617 4.527 0.001 0.000 0.299 656 F C 2.110 177.898 175.800 -0.020 0.000 1.090 656 F CA 1.067 59.057 58.000 -0.016 0.000 1.392 656 F CB -0.697 38.306 39.000 0.005 0.000 1.053 656 F HN -0.061 nan 8.300 nan 0.000 0.521 657 L N -0.784 120.411 121.223 -0.047 0.000 2.168 657 L HA 0.480 4.821 4.340 0.001 0.000 0.203 657 L C 1.525 178.396 176.870 0.000 0.000 1.078 657 L CA 0.840 55.669 54.840 -0.018 0.000 0.780 657 L CB -0.616 41.431 42.059 -0.021 0.000 0.939 657 L HN 0.605 nan 8.230 nan 0.000 0.451 658 G N -0.162 108.630 108.800 -0.012 0.000 2.342 658 G HA2 -0.201 3.759 3.960 0.001 0.000 0.220 658 G HA3 -0.201 3.759 3.960 0.001 0.000 0.220 658 G C -0.568 174.366 174.900 0.057 0.000 1.243 658 G CA 0.021 45.130 45.100 0.015 0.000 1.083 658 G HN 0.062 nan 8.290 nan 0.000 0.500 659 D N -0.891 119.556 120.400 0.078 0.000 2.525 659 D HA 0.190 4.830 4.640 0.001 0.000 0.231 659 D C 1.682 178.017 176.300 0.058 0.000 1.216 659 D CA 0.300 54.386 54.000 0.142 0.000 0.813 659 D CB 0.270 41.134 40.800 0.106 0.000 1.108 659 D HN 0.381 nan 8.370 nan 0.000 0.524 660 K N -0.765 119.653 120.400 0.030 0.000 2.276 660 K HA 0.127 4.447 4.320 0.001 0.000 0.198 660 K C 1.864 178.449 176.600 -0.025 0.000 1.052 660 K CA 0.691 56.972 56.287 -0.010 0.000 0.984 660 K CB 0.292 32.788 32.500 -0.006 0.000 0.836 660 K HN 0.139 nan 8.250 nan 0.000 0.490 661 F N -0.138 119.817 119.950 0.007 0.000 2.695 661 F HA 0.111 4.639 4.527 0.001 0.000 0.303 661 F C 1.735 177.543 175.800 0.012 0.000 1.091 661 F CA -0.154 57.845 58.000 -0.001 0.000 1.300 661 F CB -0.402 38.608 39.000 0.017 0.000 1.071 661 F HN 0.083 nan 8.300 nan 0.000 0.578 662 Y N -0.028 120.202 120.300 -0.115 0.000 2.503 662 Y HA 0.114 4.664 4.550 0.001 0.000 0.277 662 Y C 2.212 177.987 175.900 -0.209 0.000 1.102 662 Y CA 1.449 59.446 58.100 -0.172 0.000 1.261 662 Y CB -0.535 37.821 38.460 -0.175 0.000 1.096 662 Y HN 0.061 nan 8.280 nan 0.000 0.546 663 T N 0.397 114.687 114.554 -0.441 0.000 2.652 663 T HA -0.188 4.162 4.350 0.001 0.000 0.267 663 T C 1.985 176.447 174.700 -0.396 0.000 1.039 663 T CA 2.172 63.977 62.100 -0.492 0.000 1.153 663 T CB -0.739 67.980 68.868 -0.249 0.000 0.863 663 T HN 0.201 nan 8.240 nan 0.000 0.428 664 V N 1.370 121.130 119.914 -0.257 0.000 2.244 664 V HA -0.092 4.029 4.120 0.001 0.000 0.244 664 V C 2.279 178.230 176.094 -0.238 0.000 1.042 664 V CA 1.563 63.745 62.300 -0.198 0.000 1.006 664 V CB -0.497 31.249 31.823 -0.128 0.000 0.641 664 V HN 0.506 nan 8.190 nan 0.000 0.446 665 I N 0.462 120.890 120.570 -0.236 0.000 2.953 665 I HA -0.178 3.992 4.170 0.001 0.000 0.271 665 I C 2.307 178.087 176.117 -0.561 0.000 1.286 665 I CA 1.512 62.659 61.300 -0.255 0.000 1.449 665 I CB -0.368 37.551 38.000 -0.135 0.000 1.086 665 I HN 0.407 nan 8.210 nan 0.000 0.483 666 S N -0.098 115.198 115.700 -0.674 0.000 2.545 666 S HA -0.050 4.420 4.470 0.001 0.000 0.232 666 S C 1.956 176.309 174.600 -0.412 0.000 1.070 666 S CA 0.539 58.220 58.200 -0.864 0.000 0.923 666 S CB -0.101 62.492 63.200 -1.012 0.000 0.806 666 S HN 0.438 nan 8.310 nan 0.000 0.506 667 S N 0.930 116.437 115.700 -0.321 0.000 2.593 667 S HA 0.179 4.649 4.470 0.001 0.000 0.217 667 S C 1.527 176.037 174.600 -0.149 0.000 0.966 667 S CA 0.223 58.309 58.200 -0.190 0.000 0.914 667 S CB -0.012 63.091 63.200 -0.161 0.000 0.776 667 S HN 0.445 nan 8.310 nan 0.000 0.523 668 L N 1.201 122.323 121.223 -0.168 0.000 2.249 668 L HA 0.404 4.744 4.340 0.001 0.000 0.207 668 L C 2.428 179.215 176.870 -0.139 0.000 1.090 668 L CA 1.835 56.601 54.840 -0.123 0.000 0.802 668 L CB -0.989 41.009 42.059 -0.103 0.000 0.947 668 L HN 0.343 nan 8.230 nan 0.000 0.453 669 K N -1.225 119.114 120.400 -0.103 0.000 2.211 669 K HA 0.054 4.375 4.320 0.001 0.000 0.201 669 K C 1.846 178.425 176.600 -0.035 0.000 1.052 669 K CA 1.319 57.593 56.287 -0.021 0.000 0.973 669 K CB -1.760 30.808 32.500 0.114 0.000 0.766 669 K HN 0.460 nan 8.250 nan 0.000 0.466 670 T N 0.980 115.502 114.554 -0.053 0.000 2.718 670 T HA -0.278 4.073 4.350 0.001 0.000 0.266 670 T C 2.032 176.688 174.700 -0.074 0.000 1.033 670 T CA 1.597 63.671 62.100 -0.044 0.000 1.151 670 T CB -1.025 67.804 68.868 -0.065 0.000 0.853 670 T HN 0.639 nan 8.240 nan 0.000 0.466 671 c N 1.052 119.566 118.600 -0.144 0.000 4.604 671 c HA -0.005 4.565 4.570 0.001 0.000 0.295 671 c C 1.498 175.517 174.090 -0.119 0.000 1.214 671 c CA 0.268 56.476 56.329 -0.202 0.000 1.858 671 c CB -0.915 41.340 42.510 -0.426 0.000 2.000 671 c HN 0.510 nan 8.230 nan 0.000 0.404 672 N N 1.339 119.978 118.700 -0.101 0.000 2.462 672 N HA 0.370 5.110 4.740 0.001 0.000 0.242 672 N C -2.569 172.939 175.510 -0.004 0.000 1.010 672 N CA -1.242 51.784 53.050 -0.039 0.000 0.939 672 N CB 0.710 39.188 38.487 -0.016 0.000 1.127 672 N HN 0.409 nan 8.380 nan 0.000 0.509 673 P HA 0.308 nan 4.420 nan 0.000 0.292 673 P C -0.746 176.562 177.300 0.013 0.000 1.287 673 P CA -0.340 62.771 63.100 0.017 0.000 0.800 673 P CB 1.329 33.036 31.700 0.010 0.000 0.945 674 S N 1.625 117.338 115.700 0.023 0.000 2.747 674 S HA 0.188 4.658 4.470 0.001 0.000 0.300 674 S C 0.915 175.514 174.600 -0.001 0.000 1.121 674 S CA -0.445 57.763 58.200 0.013 0.000 0.995 674 S CB 0.839 64.054 63.200 0.026 0.000 1.113 674 S HN 0.456 nan 8.310 nan 0.000 0.547 675 D N 1.209 121.604 120.400 -0.009 0.000 2.137 675 D HA -0.210 4.431 4.640 0.001 0.000 0.189 675 D C 1.477 177.765 176.300 -0.021 0.000 0.998 675 D CA 1.573 55.560 54.000 -0.021 0.000 0.839 675 D CB -0.519 40.269 40.800 -0.019 0.000 0.962 675 D HN 0.379 nan 8.370 nan 0.000 0.446 676 I N 0.371 120.932 120.570 -0.016 0.000 2.036 676 I HA -0.202 3.968 4.170 0.001 0.000 0.231 676 I C 2.577 178.685 176.117 -0.016 0.000 1.044 676 I CA 0.930 62.217 61.300 -0.022 0.000 1.315 676 I CB -0.904 37.081 38.000 -0.026 0.000 1.051 676 I HN 0.021 nan 8.210 nan 0.000 0.391 677 L N -0.062 121.157 121.223 -0.007 0.000 2.151 677 L HA -0.379 3.961 4.340 0.001 0.000 0.215 677 L C 2.697 179.581 176.870 0.024 0.000 1.084 677 L CA 2.267 57.110 54.840 0.004 0.000 0.764 677 L CB -0.538 41.551 42.059 0.051 0.000 0.891 677 L HN 0.544 nan 8.230 nan 0.000 0.435 678 Q N -1.022 118.785 119.800 0.011 0.000 2.354 678 Q HA -0.092 4.248 4.340 0.001 0.000 0.203 678 Q C 1.978 177.966 176.000 -0.020 0.000 0.933 678 Q CA 1.085 56.885 55.803 -0.004 0.000 0.901 678 Q CB -0.523 28.194 28.738 -0.035 0.000 1.007 678 Q HN 0.636 nan 8.270 nan 0.000 0.495 679 M N -0.628 118.966 119.600 -0.010 0.000 2.334 679 M HA -0.015 4.466 4.480 0.001 0.000 0.266 679 M C 1.689 178.031 176.300 0.071 0.000 1.082 679 M CA 1.346 56.651 55.300 0.008 0.000 1.141 679 M CB -0.438 32.157 32.600 -0.009 0.000 1.380 679 M HN 0.516 nan 8.290 nan 0.000 0.440 680 c N 0.693 119.318 118.600 0.041 0.000 2.504 680 c HA 0.023 4.593 4.570 0.001 0.000 0.279 680 c C 3.171 177.304 174.090 0.070 0.000 1.358 680 c CA 1.037 57.386 56.329 0.034 0.000 1.747 680 c CB -0.889 41.602 42.510 -0.032 0.000 2.037 680 c HN 0.768 nan 8.230 nan 0.000 0.503 681 S N 0.735 116.490 115.700 0.091 0.000 2.368 681 S HA -0.203 4.267 4.470 0.001 0.000 0.225 681 S C 1.670 176.405 174.600 0.225 0.000 1.030 681 S CA 1.283 59.561 58.200 0.129 0.000 0.999 681 S CB -0.894 62.387 63.200 0.135 0.000 0.844 681 S HN 0.621 nan 8.310 nan 0.000 0.459 682 F N 1.850 121.826 119.950 0.043 0.000 1.993 682 F HA -0.152 4.376 4.527 0.001 0.000 0.297 682 F C 2.404 178.244 175.800 0.067 0.000 1.177 682 F CA 1.878 59.914 58.000 0.060 0.000 1.182 682 F CB -0.364 38.672 39.000 0.060 0.000 0.958 682 F HN 0.168 nan 8.300 nan 0.000 0.496 683 L N 0.268 121.608 121.223 0.197 0.000 2.010 683 L HA -0.347 3.994 4.340 0.001 0.000 0.219 683 L C 2.724 179.617 176.870 0.038 0.000 1.077 683 L CA 1.925 56.809 54.840 0.074 0.000 0.773 683 L CB -1.970 40.145 42.059 0.092 0.000 0.892 683 L HN 0.475 nan 8.230 nan 0.000 0.436 684 E N 0.181 120.416 120.200 0.058 0.000 2.485 684 E HA -0.323 4.027 4.350 0.001 0.000 0.251 684 E C 1.480 178.109 176.600 0.049 0.000 1.042 684 E CA 2.011 58.437 56.400 0.043 0.000 1.158 684 E CB -1.631 28.102 29.700 0.054 0.000 1.065 684 E HN 0.635 nan 8.360 nan 0.000 0.502 685 G N -0.609 108.218 108.800 0.045 0.000 4.465 685 G HA2 0.617 4.578 3.960 0.001 0.000 0.330 685 G HA3 0.617 4.578 3.960 0.001 0.000 0.330 685 G C -0.057 174.845 174.900 0.002 0.000 1.475 685 G CA 0.935 46.063 45.100 0.047 0.000 0.955 685 G HN 0.794 nan 8.290 nan 0.000 0.516 686 K N 0.000 120.385 120.400 -0.026 0.000 2.780 686 K HA 0.000 4.320 4.320 0.001 0.000 0.191 686 K CA 0.000 56.219 56.287 -0.113 0.000 0.838 686 K CB 0.000 32.383 32.500 -0.195 0.000 1.064 686 K HN 0.000 nan 8.250 nan 0.000 0.543