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 1dot_1_A DATA FIRST_RESID 1 DATA SEQUENCE APPKTTVRWc TISSAEEKKc NSLKDHMQQE RVTLScVQKA TYLDcIKAIS DATA SEQUENCE NNEADAISLD GGQVFEAGLA PYKLKPIAAE VYERSGGSTT SYYAVAVVKK DATA SEQUENCE GTDFMIKDLR GKTScHTGLG RSAGWNIPIG TLIHREDIEW EGIESGISEQ DATA SEQUENCE AVAKFFSASc VPGATIEQKL cRQcKGDAKT KcLRNGPYSG YSGAFQcLKD DATA SEQUENCE GKGDVAFVKH TTVQENAPEE KDEYELLcLD GSRQPVDSYK TcNWARVAAH DATA SEQUENCE AVVARDDSKI DDIWSFLGMQ AYSLGVDTTS DFHLFGPPGK KDPVLKDLLF DATA SEQUENCE KDSAIMLKRV PELMDSQLYL GFEYYSAIQS LRKDQLTVGP RENKIQWcAV DATA SEQUENCE GKDEKSKcDR WSVVSNGEVE cTILDDNKDc IVKITKGEAD AISLDGGFVY DATA SEQUENCE TAGVcGLVPV VGESYEDETQ cSKDEEQPAY YFAVAVVKKS SAITWNNLQG DATA SEQUENCE KKScHTAVGR TAGWNIPMGL IHNKTGScDF DDYFSEGcAP GSPPNSRLcK DATA SEQUENCE LcQGSGENLL EKcVASSHEK YYGYTGALRc LVEQGDVAFI KHSTVGENVS DATA SEQUENCE GSNKDDWAKG LTRDDFELLc TNGKRAKTMD YKTcHLAKVP THAVVARPEK DATA SEQUENCE ANKIRELLEG QEKLFGLHGT EKERFMMFQS QTKDLLFKAL TKcLVKLRQG DATA SEQUENCE ITYKEFLGDE YYASVASLNT cNPSDLLQVc TFLEDK 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 0.000 177.627 177.584 0.072 0.000 1.274 1 A CA 0.000 52.083 52.037 0.076 0.000 0.836 1 A CB 0.000 19.049 19.000 0.081 0.000 0.831 2 P HA 0.651 nan 4.420 nan 0.000 0.293 2 P C -2.359 174.970 177.300 0.048 0.000 1.300 2 P CA -0.669 62.462 63.100 0.052 0.000 0.792 2 P CB 1.163 32.888 31.700 0.042 0.000 0.925 3 P HA 0.491 nan 4.420 nan 0.000 0.348 3 P C -0.555 176.770 177.300 0.041 0.000 1.208 3 P CA -0.372 62.756 63.100 0.047 0.000 0.780 3 P CB 1.913 33.648 31.700 0.057 0.000 1.684 4 K N -0.161 120.262 120.400 0.039 0.000 2.665 4 K HA 0.155 4.475 4.320 0.001 0.000 0.194 4 K C -0.152 176.473 176.600 0.042 0.000 1.135 4 K CA -0.026 56.285 56.287 0.041 0.000 1.089 4 K CB 0.132 32.651 32.500 0.031 0.000 0.817 4 K HN 0.594 nan 8.250 nan 0.000 0.506 5 T N 0.159 114.739 114.554 0.044 0.000 2.939 5 T HA 0.003 4.353 4.350 0.001 0.000 0.319 5 T C 0.390 175.112 174.700 0.038 0.000 1.082 5 T CA 0.028 62.151 62.100 0.038 0.000 1.133 5 T CB 0.392 69.286 68.868 0.042 0.000 1.019 5 T HN 0.161 nan 8.240 nan 0.000 0.548 6 T N 2.358 116.924 114.554 0.021 0.000 2.867 6 T HA 0.308 4.658 4.350 0.001 0.000 0.297 6 T C 0.265 174.963 174.700 -0.003 0.000 0.989 6 T CA -0.788 61.315 62.100 0.005 0.000 1.159 6 T CB 0.249 69.116 68.868 -0.002 0.000 0.928 6 T HN 0.589 nan 8.240 nan 0.000 0.538 7 V N 5.153 125.048 119.914 -0.033 0.000 2.333 7 V HA 0.256 4.377 4.120 0.001 0.000 0.274 7 V C 0.697 176.777 176.094 -0.022 0.000 1.028 7 V CA -0.773 61.511 62.300 -0.026 0.000 0.851 7 V CB 0.562 32.359 31.823 -0.043 0.000 1.000 7 V HN 0.758 nan 8.190 nan 0.000 0.456 8 R N 4.993 125.492 120.500 -0.002 0.000 2.419 8 R HA 0.138 4.479 4.340 0.001 0.000 0.305 8 R C -0.016 176.294 176.300 0.016 0.000 1.242 8 R CA -0.232 55.872 56.100 0.006 0.000 1.105 8 R CB 0.450 30.739 30.300 -0.018 0.000 1.116 8 R HN 0.715 nan 8.270 nan 0.000 0.523 9 W N 3.142 124.381 121.300 -0.102 0.000 2.148 9 W HA 0.059 4.719 4.660 0.001 0.000 0.347 9 W C -0.333 176.154 176.519 -0.053 0.000 1.288 9 W CA -0.265 57.033 57.345 -0.078 0.000 1.252 9 W CB 1.130 30.532 29.460 -0.098 0.000 1.156 9 W HN 0.365 nan 8.180 nan 0.000 0.580 10 c N 5.594 123.988 118.600 -0.342 0.000 2.322 10 c HA 0.540 5.110 4.570 0.001 0.000 0.324 10 c C 0.238 174.333 174.090 0.007 0.000 1.249 10 c CA -0.183 56.071 56.329 -0.126 0.000 1.453 10 c CB -0.037 42.365 42.510 -0.180 0.000 2.145 10 c HN 0.593 nan 8.230 nan 0.000 0.466 11 T N 4.241 118.852 114.554 0.094 0.000 2.888 11 T HA 0.552 4.902 4.350 0.001 0.000 0.284 11 T C 0.306 175.040 174.700 0.057 0.000 1.017 11 T CA -0.612 61.560 62.100 0.121 0.000 1.022 11 T CB 1.545 70.497 68.868 0.141 0.000 1.013 11 T HN 0.786 nan 8.240 nan 0.000 0.465 12 I N -0.456 120.150 120.570 0.060 0.000 3.833 12 I HA 0.418 4.589 4.170 0.001 0.000 0.328 12 I C -0.236 175.905 176.117 0.039 0.000 1.554 12 I CA -0.693 60.633 61.300 0.043 0.000 1.116 12 I CB -1.122 36.917 38.000 0.066 0.000 1.182 12 I HN 0.828 nan 8.210 nan 0.000 0.459 13 S N -0.189 115.535 115.700 0.039 0.000 2.567 13 S HA 0.418 4.888 4.470 0.001 0.000 0.270 13 S C 0.440 175.058 174.600 0.030 0.000 1.152 13 S CA 0.161 58.380 58.200 0.031 0.000 0.835 13 S CB 1.169 64.388 63.200 0.032 0.000 1.115 13 S HN 0.259 nan 8.310 nan 0.000 0.459 14 S N 0.711 116.424 115.700 0.022 0.000 2.478 14 S HA 0.240 4.710 4.470 0.001 0.000 0.222 14 S C 1.881 176.495 174.600 0.022 0.000 1.008 14 S CA 0.491 58.702 58.200 0.019 0.000 0.928 14 S CB -0.646 62.562 63.200 0.012 0.000 0.781 14 S HN 1.276 nan 8.310 nan 0.000 0.518 15 A N 2.076 124.910 122.820 0.023 0.000 1.897 15 A HA 0.003 4.323 4.320 0.001 0.000 0.215 15 A C 2.149 179.749 177.584 0.028 0.000 1.181 15 A CA 1.425 53.476 52.037 0.023 0.000 0.620 15 A CB -0.694 18.318 19.000 0.021 0.000 0.821 15 A HN 0.613 nan 8.150 nan 0.000 0.443 16 E N -0.608 119.610 120.200 0.030 0.000 2.152 16 E HA -0.188 4.162 4.350 0.001 0.000 0.192 16 E C 1.800 178.423 176.600 0.039 0.000 0.983 16 E CA 1.095 57.513 56.400 0.031 0.000 0.818 16 E CB -0.016 29.708 29.700 0.040 0.000 0.758 16 E HN 0.518 nan 8.360 nan 0.000 0.467 17 E N 0.658 120.884 120.200 0.042 0.000 2.347 17 E HA -0.144 4.207 4.350 0.001 0.000 0.196 17 E C 1.601 178.222 176.600 0.035 0.000 1.008 17 E CA 0.835 57.261 56.400 0.043 0.000 0.852 17 E CB 0.086 29.807 29.700 0.036 0.000 0.783 17 E HN -0.013 nan 8.360 nan 0.000 0.505 18 K N 0.481 120.902 120.400 0.036 0.000 2.284 18 K HA 0.077 4.398 4.320 0.001 0.000 0.198 18 K C 1.800 178.439 176.600 0.065 0.000 1.048 18 K CA 0.945 57.257 56.287 0.041 0.000 0.987 18 K CB 0.018 32.541 32.500 0.037 0.000 0.800 18 K HN 0.058 nan 8.250 nan 0.000 0.486 19 K N -0.703 119.741 120.400 0.074 0.000 2.305 19 K HA -0.022 4.298 4.320 0.001 0.000 0.199 19 K C 1.816 178.499 176.600 0.138 0.000 1.047 19 K CA 0.881 57.254 56.287 0.143 0.000 0.976 19 K CB -0.160 32.400 32.500 0.100 0.000 0.765 19 K HN 0.235 nan 8.250 nan 0.000 0.474 20 c N 1.191 119.816 118.600 0.040 0.000 2.467 20 c HA 0.133 4.703 4.570 0.001 0.000 0.279 20 c C 2.035 176.109 174.090 -0.027 0.000 1.347 20 c CA 0.437 56.752 56.329 -0.024 0.000 1.748 20 c CB -0.933 41.567 42.510 -0.017 0.000 1.977 20 c HN 0.503 nan 8.230 nan 0.000 0.501 21 N N 0.349 119.048 118.700 -0.002 0.000 2.395 21 N HA -0.044 4.696 4.740 0.001 0.000 0.175 21 N C 1.941 177.431 175.510 -0.032 0.000 1.029 21 N CA 1.245 54.287 53.050 -0.014 0.000 0.897 21 N CB -0.351 38.137 38.487 0.001 0.000 0.991 21 N HN 0.571 nan 8.380 nan 0.000 0.441 22 S N 0.722 116.410 115.700 -0.021 0.000 2.428 22 S HA -0.015 4.455 4.470 0.001 0.000 0.230 22 S C 1.710 176.122 174.600 -0.313 0.000 1.014 22 S CA 0.375 58.553 58.200 -0.038 0.000 0.957 22 S CB -0.015 63.252 63.200 0.111 0.000 0.784 22 S HN 0.200 nan 8.310 nan 0.000 0.499 23 L N 1.855 122.779 121.223 -0.497 0.000 2.341 23 L HA 0.259 4.599 4.340 0.001 0.000 0.214 23 L C 1.748 178.505 176.870 -0.189 0.000 1.115 23 L CA 1.618 56.078 54.840 -0.632 0.000 0.820 23 L CB -0.434 41.446 42.059 -0.298 0.000 0.944 23 L HN 0.405 nan 8.230 nan 0.000 0.452 24 K N -2.573 117.771 120.400 -0.093 0.000 2.404 24 K HA 0.133 4.454 4.320 0.001 0.000 0.194 24 K C 0.823 177.397 176.600 -0.044 0.000 1.023 24 K CA 0.720 56.993 56.287 -0.022 0.000 1.094 24 K CB -0.058 32.426 32.500 -0.027 0.000 0.841 24 K HN 0.156 nan 8.250 nan 0.000 0.523 25 D N 0.295 120.645 120.400 -0.083 0.000 2.277 25 D HA -0.032 4.608 4.640 0.001 0.000 0.209 25 D C 0.986 177.146 176.300 -0.234 0.000 0.970 25 D CA 0.765 54.689 54.000 -0.127 0.000 0.874 25 D CB -0.153 40.569 40.800 -0.130 0.000 0.982 25 D HN 0.363 nan 8.370 nan 0.000 0.504 26 H N 0.092 119.022 119.070 -0.232 0.000 2.563 26 H HA 0.077 4.634 4.556 0.001 0.000 0.272 26 H C 0.713 175.937 175.328 -0.174 0.000 1.005 26 H CA 0.737 56.638 56.048 -0.246 0.000 1.171 26 H CB 0.160 29.657 29.762 -0.441 0.000 1.351 26 H HN -0.000 nan 8.280 nan 0.000 0.602 27 M N -0.533 119.027 119.600 -0.066 0.000 4.626 27 M HA 0.121 4.601 4.480 0.001 0.000 0.540 27 M C -0.857 175.442 176.300 -0.002 0.000 2.051 27 M CA -0.159 55.113 55.300 -0.046 0.000 0.497 27 M CB 0.356 32.914 32.600 -0.070 0.000 2.762 27 M HN -0.079 nan 8.290 nan 0.000 0.595 28 Q N 1.528 121.309 119.800 -0.032 0.000 2.451 28 Q HA 0.112 4.452 4.340 0.001 0.000 0.206 28 Q C 1.029 177.022 176.000 -0.011 0.000 0.947 28 Q CA 1.103 56.898 55.803 -0.014 0.000 0.937 28 Q CB 0.313 29.033 28.738 -0.031 0.000 1.025 28 Q HN 0.921 nan 8.270 nan 0.000 0.511 29 Q N -0.332 119.455 119.800 -0.022 0.000 2.282 29 Q HA 0.128 4.468 4.340 0.001 0.000 0.205 29 Q C -0.349 175.641 176.000 -0.018 0.000 0.915 29 Q CA 0.181 55.968 55.803 -0.026 0.000 0.949 29 Q CB 0.445 29.154 28.738 -0.047 0.000 1.035 29 Q HN -0.025 nan 8.270 nan 0.000 0.484 30 E N 0.330 120.531 120.200 0.002 0.000 2.378 30 E HA 0.325 4.675 4.350 0.001 0.000 0.265 30 E C 0.366 176.986 176.600 0.034 0.000 0.932 30 E CA -0.927 55.480 56.400 0.012 0.000 0.795 30 E CB 1.161 30.869 29.700 0.013 0.000 1.296 30 E HN -0.037 nan 8.360 nan 0.000 0.438 31 R N -0.054 120.469 120.500 0.038 0.000 2.075 31 R HA 0.014 4.355 4.340 0.001 0.000 0.230 31 R C 0.644 176.986 176.300 0.070 0.000 1.140 31 R CA 0.912 57.040 56.100 0.046 0.000 0.928 31 R CB -0.590 29.738 30.300 0.047 0.000 0.834 31 R HN 0.251 nan 8.270 nan 0.000 0.429 32 V N 2.968 122.944 119.914 0.103 0.000 2.389 32 V HA 0.126 4.246 4.120 0.001 0.000 0.264 32 V C 0.359 176.594 176.094 0.236 0.000 1.049 32 V CA -0.295 62.103 62.300 0.163 0.000 0.932 32 V CB 0.832 32.781 31.823 0.209 0.000 1.011 32 V HN 0.395 nan 8.190 nan 0.000 0.475 33 T N 3.392 118.032 114.554 0.144 0.000 2.855 33 T HA 0.727 5.078 4.350 0.001 0.000 0.281 33 T C -0.646 174.035 174.700 -0.031 0.000 1.007 33 T CA -0.739 61.425 62.100 0.107 0.000 1.009 33 T CB 1.947 70.844 68.868 0.047 0.000 0.983 33 T HN 0.325 nan 8.240 nan 0.000 0.455 34 L N 1.944 123.092 121.223 -0.124 0.000 2.399 34 L HA 0.752 5.092 4.340 0.001 0.000 0.266 34 L C 0.162 176.974 176.870 -0.097 0.000 1.114 34 L CA 0.249 54.930 54.840 -0.264 0.000 0.804 34 L CB 1.714 43.503 42.059 -0.450 0.000 1.146 34 L HN 0.975 nan 8.230 nan 0.000 0.451 35 S N 2.689 118.348 115.700 -0.068 0.000 2.569 35 S HA 0.751 5.221 4.470 0.001 0.000 0.280 35 S C -1.417 173.194 174.600 0.018 0.000 1.111 35 S CA -0.625 57.563 58.200 -0.019 0.000 0.887 35 S CB 1.027 64.220 63.200 -0.013 0.000 1.095 35 S HN 0.765 nan 8.310 nan 0.000 0.476 36 c N 3.344 121.960 118.600 0.027 0.000 2.441 36 c HA 0.822 5.392 4.570 0.001 0.000 0.318 36 c C -0.496 173.619 174.090 0.042 0.000 1.222 36 c CA -0.654 55.713 56.329 0.063 0.000 1.474 36 c CB 0.567 43.110 42.510 0.055 0.000 2.125 36 c HN 0.727 nan 8.230 nan 0.000 0.479 37 V N 2.502 122.444 119.914 0.047 0.000 2.769 37 V HA 0.591 4.711 4.120 0.001 0.000 0.312 37 V C -0.555 175.552 176.094 0.023 0.000 1.061 37 V CA -0.587 61.723 62.300 0.017 0.000 0.931 37 V CB 1.667 33.485 31.823 -0.008 0.000 1.010 37 V HN 0.876 nan 8.190 nan 0.000 0.433 38 Q N 2.552 122.358 119.800 0.009 0.000 2.333 38 Q HA 0.519 4.859 4.340 0.001 0.000 0.267 38 Q C -1.392 174.601 176.000 -0.011 0.000 1.012 38 Q CA -0.825 54.983 55.803 0.009 0.000 0.824 38 Q CB 2.038 30.784 28.738 0.013 0.000 1.290 38 Q HN 0.623 nan 8.270 nan 0.000 0.449 39 K N 1.131 121.520 120.400 -0.018 0.000 2.385 39 K HA 0.482 4.803 4.320 0.001 0.000 0.248 39 K C 0.118 176.696 176.600 -0.037 0.000 0.955 39 K CA -0.322 55.941 56.287 -0.040 0.000 0.816 39 K CB 1.774 34.236 32.500 -0.063 0.000 1.250 39 K HN 0.652 nan 8.250 nan 0.000 0.434 40 A N 1.204 123.994 122.820 -0.050 0.000 1.898 40 A HA -0.031 4.289 4.320 0.001 0.000 0.216 40 A C 0.668 178.220 177.584 -0.052 0.000 1.181 40 A CA 1.538 53.548 52.037 -0.045 0.000 0.620 40 A CB -0.245 18.725 19.000 -0.050 0.000 0.819 40 A HN 0.670 nan 8.150 nan 0.000 0.442 41 T N -2.278 112.216 114.554 -0.100 0.000 2.940 41 T HA 0.434 4.784 4.350 0.001 0.000 0.288 41 T C 0.714 175.295 174.700 -0.198 0.000 1.045 41 T CA 0.208 62.205 62.100 -0.171 0.000 1.018 41 T CB 1.016 69.690 68.868 -0.323 0.000 1.151 41 T HN 0.406 nan 8.240 nan 0.000 0.529 42 Y N 0.083 120.360 120.300 -0.038 0.000 2.457 42 Y HA 0.249 4.799 4.550 0.000 0.000 0.292 42 Y C 1.835 177.686 175.900 -0.081 0.000 1.125 42 Y CA 0.406 58.477 58.100 -0.050 0.000 1.254 42 Y CB -0.500 37.945 38.460 -0.025 0.000 1.012 42 Y HN 0.391 nan 8.280 nan 0.000 0.555 43 L N 0.993 121.572 121.223 -1.073 0.000 2.376 43 L HA -0.059 4.282 4.340 0.001 0.000 0.219 43 L C 1.064 177.720 176.870 -0.356 0.000 1.133 43 L CA 1.556 56.012 54.840 -0.640 0.000 0.816 43 L CB -0.494 41.203 42.059 -0.604 0.000 0.933 43 L HN 0.166 nan 8.230 nan 0.000 0.449 44 D N -2.078 118.145 120.400 -0.294 0.000 2.305 44 D HA -0.050 4.590 4.640 0.001 0.000 0.206 44 D C 2.215 178.414 176.300 -0.169 0.000 0.974 44 D CA 0.778 54.663 54.000 -0.191 0.000 0.871 44 D CB -0.164 40.550 40.800 -0.144 0.000 0.947 44 D HN 0.349 nan 8.370 nan 0.000 0.516 45 c N 0.458 118.957 118.600 -0.168 0.000 2.466 45 c HA 0.060 4.630 4.570 0.001 0.000 0.278 45 c C 2.778 176.760 174.090 -0.179 0.000 1.288 45 c CA -0.056 56.188 56.329 -0.141 0.000 1.722 45 c CB -0.667 41.789 42.510 -0.089 0.000 2.017 45 c HN 0.303 nan 8.230 nan 0.000 0.488 46 I N 1.960 122.399 120.570 -0.219 0.000 2.142 46 I HA -0.235 3.935 4.170 0.001 0.000 0.240 46 I C 2.576 178.399 176.117 -0.490 0.000 1.078 46 I CA 1.809 62.912 61.300 -0.328 0.000 1.343 46 I CB -0.568 37.206 38.000 -0.377 0.000 1.046 46 I HN 0.477 nan 8.210 nan 0.000 0.405 47 K N 1.606 121.693 120.400 -0.522 0.000 2.296 47 K HA 0.055 4.375 4.320 0.001 0.000 0.200 47 K C 2.091 178.583 176.600 -0.179 0.000 1.048 47 K CA 1.121 57.181 56.287 -0.379 0.000 0.966 47 K CB -0.303 32.054 32.500 -0.239 0.000 0.754 47 K HN 0.241 nan 8.250 nan 0.000 0.466 48 A N 2.656 125.376 122.820 -0.166 0.000 1.865 48 A HA -0.109 4.211 4.320 0.001 0.000 0.217 48 A C 2.255 179.773 177.584 -0.110 0.000 1.191 48 A CA 1.424 53.391 52.037 -0.116 0.000 0.623 48 A CB -0.656 18.278 19.000 -0.110 0.000 0.826 48 A HN 0.266 nan 8.150 nan 0.000 0.444 49 I N 0.712 121.198 120.570 -0.140 0.000 2.252 49 I HA -0.248 3.922 4.170 0.001 0.000 0.245 49 I C 2.898 178.970 176.117 -0.074 0.000 1.102 49 I CA 1.350 62.581 61.300 -0.115 0.000 1.385 49 I CB -0.457 37.462 38.000 -0.134 0.000 1.064 49 I HN 0.541 nan 8.210 nan 0.000 0.414 50 S N 1.505 117.154 115.700 -0.084 0.000 2.392 50 S HA -0.187 4.284 4.470 0.001 0.000 0.225 50 S C 1.052 175.667 174.600 0.026 0.000 1.041 50 S CA 0.959 59.182 58.200 0.038 0.000 1.100 50 S CB -1.155 62.169 63.200 0.206 0.000 1.029 50 S HN 0.409 nan 8.310 nan 0.000 0.424 51 N N 3.176 121.881 118.700 0.008 0.000 2.340 51 N HA 0.026 4.767 4.740 0.001 0.000 0.236 51 N C -0.197 175.305 175.510 -0.013 0.000 1.296 51 N CA 0.516 53.568 53.050 0.003 0.000 0.896 51 N CB -0.124 38.361 38.487 -0.002 0.000 1.127 51 N HN 0.728 nan 8.380 nan 0.000 0.442 52 N N 0.077 118.770 118.700 -0.011 0.000 3.301 52 N HA 0.070 4.810 4.740 0.001 0.000 0.289 52 N C -0.187 175.310 175.510 -0.023 0.000 1.343 52 N CA -0.075 52.964 53.050 -0.017 0.000 1.136 52 N CB 0.464 38.946 38.487 -0.008 0.000 1.402 52 N HN 0.428 nan 8.380 nan 0.000 0.516 53 E N 0.383 120.562 120.200 -0.035 0.000 2.201 53 E HA 0.361 4.712 4.350 0.001 0.000 0.193 53 E C 0.031 176.603 176.600 -0.048 0.000 0.957 53 E CA 0.325 56.703 56.400 -0.038 0.000 0.858 53 E CB 0.520 30.194 29.700 -0.042 0.000 0.816 53 E HN 0.609 nan 8.360 nan 0.000 0.475 54 A N -0.253 122.527 122.820 -0.067 0.000 2.437 54 A HA 0.506 4.827 4.320 0.001 0.000 0.292 54 A C -0.565 176.957 177.584 -0.102 0.000 1.173 54 A CA -0.565 51.416 52.037 -0.093 0.000 0.785 54 A CB 1.099 20.023 19.000 -0.127 0.000 1.351 54 A HN 0.019 nan 8.150 nan 0.000 0.431 55 D N -1.144 119.172 120.400 -0.140 0.000 2.399 55 D HA 0.412 5.052 4.640 0.001 0.000 0.269 55 D C 0.212 176.381 176.300 -0.219 0.000 1.105 55 D CA 1.142 55.069 54.000 -0.122 0.000 0.844 55 D CB 1.223 41.990 40.800 -0.054 0.000 1.372 55 D HN 0.791 nan 8.370 nan 0.000 0.517 56 A N 0.826 123.382 122.820 -0.441 0.000 2.610 56 A HA 0.786 5.106 4.320 0.001 0.000 0.291 56 A C -1.618 175.303 177.584 -1.105 0.000 1.086 56 A CA -0.683 50.904 52.037 -0.749 0.000 0.677 56 A CB 1.493 19.934 19.000 -0.932 0.000 1.278 56 A HN 0.092 nan 8.150 nan 0.000 0.414 57 I N -1.766 118.297 120.570 -0.845 0.000 2.800 57 I HA 0.508 4.678 4.170 0.001 0.000 0.294 57 I C -0.471 175.593 176.117 -0.089 0.000 1.538 57 I CA -0.592 60.412 61.300 -0.493 0.000 1.010 57 I CB 1.958 39.843 38.000 -0.191 0.000 1.381 57 I HN 0.494 nan 8.210 nan 0.000 0.462 58 S N 4.154 119.946 115.700 0.154 0.000 2.423 58 S HA 0.643 5.114 4.470 0.001 0.000 0.317 58 S C -0.754 173.997 174.600 0.251 0.000 1.065 58 S CA -0.392 57.997 58.200 0.315 0.000 1.111 58 S CB 0.235 63.747 63.200 0.521 0.000 0.968 58 S HN 0.412 nan 8.310 nan 0.000 0.474 59 L N 4.239 125.565 121.223 0.171 0.000 2.343 59 L HA 0.501 4.841 4.340 0.001 0.000 0.275 59 L C 0.499 177.370 176.870 0.003 0.000 1.056 59 L CA -0.239 54.643 54.840 0.070 0.000 0.804 59 L CB 1.355 43.419 42.059 0.008 0.000 1.203 59 L HN 0.717 nan 8.230 nan 0.000 0.440 60 D N 0.976 121.244 120.400 -0.220 0.000 2.354 60 D HA 0.150 4.791 4.640 0.001 0.000 0.238 60 D C 1.328 177.514 176.300 -0.190 0.000 1.250 60 D CA 0.855 54.430 54.000 -0.708 0.000 0.911 60 D CB 1.046 41.588 40.800 -0.430 0.000 1.163 60 D HN 0.627 nan 8.370 nan 0.000 0.456 61 G N 0.753 109.532 108.800 -0.034 0.000 2.491 61 G HA2 -0.255 3.705 3.960 0.001 0.000 0.218 61 G HA3 -0.255 3.705 3.960 0.001 0.000 0.218 61 G C 1.452 176.529 174.900 0.296 0.000 1.180 61 G CA 0.881 46.134 45.100 0.255 0.000 0.774 61 G HN 0.635 nan 8.290 nan 0.000 0.562 62 G N 0.394 109.323 108.800 0.216 0.000 2.469 62 G HA2 -0.167 3.794 3.960 0.001 0.000 0.220 62 G HA3 -0.167 3.794 3.960 0.001 0.000 0.220 62 G C 1.748 176.698 174.900 0.084 0.000 1.136 62 G CA 1.328 46.505 45.100 0.128 0.000 0.759 62 G HN 0.615 nan 8.290 nan 0.000 0.562 63 Q N -0.408 119.388 119.800 -0.006 0.000 2.282 63 Q HA 0.360 4.701 4.340 0.001 0.000 0.206 63 Q C 2.141 178.169 176.000 0.046 0.000 0.878 63 Q CA 0.216 55.978 55.803 -0.068 0.000 0.944 63 Q CB 0.513 28.934 28.738 -0.530 0.000 1.100 63 Q HN 0.310 nan 8.270 nan 0.000 0.509 64 V N -0.013 119.962 119.914 0.102 0.000 2.488 64 V HA -0.163 3.958 4.120 0.001 0.000 0.246 64 V C 1.801 178.006 176.094 0.185 0.000 1.046 64 V CA 1.124 63.497 62.300 0.121 0.000 1.053 64 V CB -0.321 31.563 31.823 0.101 0.000 0.679 64 V HN 0.396 nan 8.190 nan 0.000 0.458 65 F N 2.893 122.902 119.950 0.098 0.000 2.043 65 F HA -0.273 4.254 4.527 0.000 0.000 0.297 65 F C 2.490 178.343 175.800 0.087 0.000 1.118 65 F CA 2.831 60.880 58.000 0.081 0.000 1.202 65 F CB -0.395 38.576 39.000 -0.049 0.000 0.965 65 F HN 0.501 nan 8.300 nan 0.000 0.482 66 E N 0.059 120.439 120.200 0.301 0.000 2.371 66 E HA 0.022 4.373 4.350 0.001 0.000 0.194 66 E C 2.058 178.778 176.600 0.200 0.000 1.012 66 E CA 0.693 57.233 56.400 0.234 0.000 0.860 66 E CB -0.484 29.425 29.700 0.349 0.000 0.811 66 E HN 0.456 nan 8.360 nan 0.000 0.502 67 A N 1.897 124.819 122.820 0.171 0.000 2.014 67 A HA 0.075 4.395 4.320 0.001 0.000 0.218 67 A C 2.364 180.032 177.584 0.140 0.000 1.163 67 A CA 1.053 53.189 52.037 0.164 0.000 0.652 67 A CB -0.659 18.395 19.000 0.089 0.000 0.808 67 A HN 0.368 nan 8.150 nan 0.000 0.449 68 G N -1.169 107.659 108.800 0.046 0.000 2.920 68 G HA2 0.357 4.318 3.960 0.001 0.000 0.208 68 G HA3 0.357 4.318 3.960 0.001 0.000 0.208 68 G C 0.234 175.099 174.900 -0.058 0.000 1.159 68 G CA 0.033 45.128 45.100 -0.009 0.000 0.784 68 G HN 0.277 nan 8.290 nan 0.000 0.535 69 L N 0.863 122.040 121.223 -0.076 0.000 2.343 69 L HA 0.672 5.013 4.340 0.001 0.000 0.275 69 L C 0.746 177.526 176.870 -0.150 0.000 1.056 69 L CA -1.169 53.600 54.840 -0.118 0.000 0.804 69 L CB 1.443 43.422 42.059 -0.133 0.000 1.203 69 L HN 0.053 nan 8.230 nan 0.000 0.440 70 A N 3.677 126.392 122.820 -0.175 0.000 2.498 70 A HA 0.502 4.823 4.320 0.001 0.000 0.239 70 A C -1.767 175.560 177.584 -0.427 0.000 1.068 70 A CA -0.478 51.407 52.037 -0.254 0.000 0.766 70 A CB -0.397 18.516 19.000 -0.146 0.000 1.003 70 A HN 0.706 nan 8.150 nan 0.000 0.497 71 P HA 0.236 nan 4.420 nan 0.000 0.272 71 P C -1.304 175.799 177.300 -0.328 0.000 1.408 71 P CA 0.394 63.251 63.100 -0.405 0.000 0.996 71 P CB -0.085 31.433 31.700 -0.303 0.000 1.481 72 Y N 0.061 120.350 120.300 -0.019 0.000 2.329 72 Y HA 0.575 5.126 4.550 0.001 0.000 0.328 72 Y C 0.386 176.270 175.900 -0.026 0.000 0.992 72 Y CA -1.847 56.240 58.100 -0.021 0.000 1.151 72 Y CB 1.495 39.944 38.460 -0.018 0.000 1.150 72 Y HN -0.289 nan 8.280 nan 0.000 0.450 73 K N 4.922 125.382 120.400 0.101 0.000 2.602 73 K HA 0.382 4.702 4.320 0.001 0.000 0.201 73 K C -1.329 175.296 176.600 0.042 0.000 1.070 73 K CA -0.280 56.033 56.287 0.044 0.000 1.026 73 K CB -0.272 32.224 32.500 -0.008 0.000 1.534 73 K HN 0.870 nan 8.250 nan 0.000 0.560 74 L N 2.009 123.272 121.223 0.066 0.000 2.417 74 L HA 0.383 4.723 4.340 0.001 0.000 0.268 74 L C 0.467 177.337 176.870 0.000 0.000 1.158 74 L CA -0.445 54.410 54.840 0.025 0.000 0.819 74 L CB 0.317 42.386 42.059 0.017 0.000 1.112 74 L HN 0.484 nan 8.230 nan 0.000 0.458 75 K N 1.596 121.982 120.400 -0.023 0.000 2.395 75 K HA 0.650 4.970 4.320 0.001 0.000 0.247 75 K C -2.875 173.674 176.600 -0.086 0.000 0.973 75 K CA -2.186 54.071 56.287 -0.049 0.000 0.828 75 K CB 1.671 34.142 32.500 -0.048 0.000 1.272 75 K HN 0.109 nan 8.250 nan 0.000 0.439 76 P HA 0.073 nan 4.420 nan 0.000 0.269 76 P C 0.057 177.241 177.300 -0.194 0.000 1.252 76 P CA -0.272 62.671 63.100 -0.262 0.000 0.780 76 P CB 0.131 31.467 31.700 -0.608 0.000 0.829 77 I N 0.747 121.258 120.570 -0.099 0.000 3.860 77 I HA 0.578 4.749 4.170 0.001 0.000 0.319 77 I C 0.335 176.423 176.117 -0.050 0.000 1.279 77 I CA -0.086 61.176 61.300 -0.063 0.000 1.220 77 I CB 0.334 38.347 38.000 0.022 0.000 1.027 77 I HN 0.150 nan 8.210 nan 0.000 0.428 78 A N 0.911 123.737 122.820 0.009 0.000 2.597 78 A HA 0.849 5.169 4.320 0.001 0.000 0.292 78 A C -1.426 176.262 177.584 0.174 0.000 1.057 78 A CA -0.108 51.987 52.037 0.097 0.000 0.674 78 A CB 0.828 20.010 19.000 0.303 0.000 1.278 78 A HN 0.438 nan 8.150 nan 0.000 0.416 79 A N 0.500 123.474 122.820 0.257 0.000 2.454 79 A HA 0.788 5.109 4.320 0.001 0.000 0.302 79 A C -0.573 177.132 177.584 0.201 0.000 1.079 79 A CA -0.516 51.714 52.037 0.321 0.000 0.731 79 A CB 0.951 20.278 19.000 0.545 0.000 1.299 79 A HN 0.783 nan 8.150 nan 0.000 0.413 80 E N 0.247 120.534 120.200 0.145 0.000 2.331 80 E HA 0.449 4.799 4.350 0.001 0.000 0.272 80 E C -0.813 175.475 176.600 -0.520 0.000 1.036 80 E CA -0.387 55.922 56.400 -0.152 0.000 0.864 80 E CB 1.534 31.207 29.700 -0.044 0.000 1.035 80 E HN 0.353 nan 8.360 nan 0.000 0.408 81 V N 3.084 122.620 119.914 -0.630 0.000 2.630 81 V HA 0.172 4.293 4.120 0.001 0.000 0.305 81 V C -0.642 175.039 176.094 -0.688 0.000 1.046 81 V CA -0.296 61.670 62.300 -0.556 0.000 0.934 81 V CB 0.975 32.625 31.823 -0.288 0.000 1.003 81 V HN 0.729 nan 8.190 nan 0.000 0.451 82 Y N -0.019 120.274 120.300 -0.011 0.000 2.460 82 Y HA 0.301 4.852 4.550 0.000 0.000 0.276 82 Y C 1.213 177.122 175.900 0.015 0.000 1.119 82 Y CA -0.582 57.516 58.100 -0.004 0.000 1.181 82 Y CB 0.126 38.629 38.460 0.070 0.000 1.304 82 Y HN 0.582 nan 8.280 nan 0.000 0.536 83 E N 1.324 121.624 120.200 0.166 0.000 4.068 83 E HA 0.087 4.438 4.350 0.001 0.000 0.355 83 E C 1.232 177.885 176.600 0.089 0.000 1.511 83 E CA 0.259 56.750 56.400 0.151 0.000 1.957 83 E CB 0.570 30.355 29.700 0.140 0.000 1.345 83 E HN 0.137 nan 8.360 nan 0.000 0.796 84 R N -0.838 119.710 120.500 0.080 0.000 3.319 84 R HA 0.228 4.569 4.340 0.001 0.000 0.126 84 R C -0.223 176.105 176.300 0.046 0.000 1.797 84 R CA -0.119 56.013 56.100 0.054 0.000 1.391 84 R CB -0.147 30.182 30.300 0.049 0.000 1.312 84 R HN 0.210 nan 8.270 nan 0.000 0.455 85 S N 0.308 116.039 115.700 0.052 0.000 2.461 85 S HA 0.606 5.076 4.470 0.001 0.000 0.322 85 S C 0.210 174.834 174.600 0.040 0.000 1.063 85 S CA -0.036 58.187 58.200 0.038 0.000 1.120 85 S CB 1.291 64.509 63.200 0.030 0.000 0.968 85 S HN 0.846 nan 8.310 nan 0.000 0.467 86 G N 1.825 110.644 108.800 0.032 0.000 2.797 86 G HA2 0.270 4.230 3.960 0.001 0.000 0.195 86 G HA3 0.270 4.230 3.960 0.001 0.000 0.195 86 G C 0.377 175.293 174.900 0.026 0.000 1.026 86 G CA 0.088 45.206 45.100 0.029 0.000 0.759 86 G HN 1.408 nan 8.290 nan 0.000 0.475 87 G N -0.699 108.119 108.800 0.031 0.000 2.451 87 G HA2 0.560 4.520 3.960 0.001 0.000 0.083 87 G HA3 0.560 4.520 3.960 0.001 0.000 0.083 87 G C -0.225 174.689 174.900 0.023 0.000 1.107 87 G CA 1.152 46.264 45.100 0.021 0.000 1.117 87 G HN 2.080 nan 8.290 nan 0.000 0.454 88 S N -0.669 115.037 115.700 0.011 0.000 2.570 88 S HA 0.887 5.357 4.470 0.001 0.000 0.286 88 S C -0.633 173.965 174.600 -0.002 0.000 1.099 88 S CA 0.722 58.920 58.200 -0.004 0.000 0.913 88 S CB 2.171 65.347 63.200 -0.040 0.000 1.085 88 S HN 1.539 nan 8.310 nan 0.000 0.480 89 T N 0.847 115.405 114.554 0.006 0.000 2.900 89 T HA 0.478 4.829 4.350 0.001 0.000 0.303 89 T C 0.089 174.768 174.700 -0.036 0.000 1.142 89 T CA -0.675 61.435 62.100 0.016 0.000 1.007 89 T CB 1.545 70.483 68.868 0.116 0.000 1.156 89 T HN 0.557 nan 8.240 nan 0.000 0.490 90 T N 1.623 116.142 114.554 -0.058 0.000 3.069 90 T HA 0.349 4.699 4.350 0.001 0.000 0.252 90 T C 0.535 175.298 174.700 0.106 0.000 1.053 90 T CA 0.199 62.261 62.100 -0.063 0.000 0.964 90 T CB -0.185 68.504 68.868 -0.299 0.000 1.005 90 T HN 0.813 nan 8.240 nan 0.000 0.532 91 S N 0.559 116.368 115.700 0.183 0.000 2.638 91 S HA 0.780 5.250 4.470 0.001 0.000 0.274 91 S C -1.481 173.272 174.600 0.254 0.000 1.157 91 S CA -1.029 57.266 58.200 0.157 0.000 0.826 91 S CB 1.750 64.878 63.200 -0.120 0.000 1.139 91 S HN 0.315 nan 8.310 nan 0.000 0.474 92 Y N -1.902 118.380 120.300 -0.030 0.000 2.615 92 Y HA 0.792 5.342 4.550 0.001 0.000 0.341 92 Y C -1.867 173.919 175.900 -0.190 0.000 1.089 92 Y CA -1.799 56.255 58.100 -0.077 0.000 1.049 92 Y CB 0.514 38.950 38.460 -0.040 0.000 1.296 92 Y HN 0.671 nan 8.280 nan 0.000 0.470 93 Y N 1.652 121.976 120.300 0.040 0.000 2.341 93 Y HA 0.648 5.198 4.550 0.001 0.000 0.340 93 Y C 0.468 176.471 175.900 0.172 0.000 0.997 93 Y CA -0.630 57.498 58.100 0.048 0.000 1.149 93 Y CB 1.298 39.772 38.460 0.023 0.000 1.171 93 Y HN 0.897 nan 8.280 nan 0.000 0.494 94 A N 3.819 126.793 122.820 0.257 0.000 2.409 94 A HA 0.590 4.910 4.320 0.001 0.000 0.262 94 A C -0.179 177.528 177.584 0.204 0.000 1.113 94 A CA -0.370 51.804 52.037 0.229 0.000 0.790 94 A CB -0.145 18.950 19.000 0.158 0.000 1.046 94 A HN 0.730 nan 8.150 nan 0.000 0.496 95 V N -0.976 119.003 119.914 0.107 0.000 3.074 95 V HA 0.943 5.064 4.120 0.001 0.000 0.314 95 V C -0.063 175.950 176.094 -0.136 0.000 1.117 95 V CA -0.482 61.828 62.300 0.018 0.000 1.014 95 V CB 1.720 33.581 31.823 0.063 0.000 1.057 95 V HN 1.649 nan 8.190 nan 0.000 0.438 96 A N 2.406 125.085 122.820 -0.234 0.000 2.360 96 A HA 0.789 5.109 4.320 0.001 0.000 0.309 96 A C -0.533 176.954 177.584 -0.161 0.000 1.311 96 A CA -0.546 51.311 52.037 -0.299 0.000 0.805 96 A CB 0.680 19.444 19.000 -0.393 0.000 1.144 96 A HN 1.308 nan 8.150 nan 0.000 0.486 97 V N 3.038 122.852 119.914 -0.166 0.000 2.481 97 V HA 0.620 4.740 4.120 0.001 0.000 0.286 97 V C 0.484 176.565 176.094 -0.022 0.000 1.042 97 V CA -0.423 61.843 62.300 -0.057 0.000 0.928 97 V CB 0.961 32.761 31.823 -0.039 0.000 0.986 97 V HN 0.905 nan 8.190 nan 0.000 0.462 98 V N 1.317 121.267 119.914 0.059 0.000 3.126 98 V HA 0.685 4.805 4.120 0.001 0.000 0.314 98 V C -0.456 175.768 176.094 0.218 0.000 1.138 98 V CA -1.277 61.078 62.300 0.091 0.000 1.034 98 V CB 1.992 33.745 31.823 -0.116 0.000 1.075 98 V HN 0.764 nan 8.190 nan 0.000 0.442 99 K N 1.083 121.582 120.400 0.165 0.000 2.144 99 K HA 0.394 4.715 4.320 0.001 0.000 0.270 99 K C -0.437 176.144 176.600 -0.033 0.000 1.005 99 K CA -0.626 55.682 56.287 0.036 0.000 0.932 99 K CB 1.654 34.142 32.500 -0.019 0.000 1.021 99 K HN 0.753 nan 8.250 nan 0.000 0.462 100 K N 0.042 120.378 120.400 -0.107 0.000 2.355 100 K HA 0.054 4.374 4.320 0.001 0.000 0.270 100 K C 0.848 177.414 176.600 -0.057 0.000 1.003 100 K CA 1.174 57.418 56.287 -0.072 0.000 0.957 100 K CB 0.319 32.770 32.500 -0.081 0.000 0.939 100 K HN 0.773 nan 8.250 nan 0.000 0.482 101 G N 1.529 110.310 108.800 -0.032 0.000 2.225 101 G HA2 -0.314 3.646 3.960 0.001 0.000 0.254 101 G HA3 -0.314 3.646 3.960 0.001 0.000 0.254 101 G C 0.241 175.155 174.900 0.023 0.000 0.988 101 G CA 0.607 45.700 45.100 -0.011 0.000 0.625 101 G HN 0.885 nan 8.290 nan 0.000 0.527 102 T N -2.195 112.390 114.554 0.051 0.000 2.816 102 T HA 0.593 4.944 4.350 0.001 0.000 0.282 102 T C 0.093 174.874 174.700 0.135 0.000 0.993 102 T CA 0.505 62.696 62.100 0.150 0.000 0.994 102 T CB 1.863 70.895 68.868 0.274 0.000 1.025 102 T HN -0.091 nan 8.240 nan 0.000 0.529 103 D N 0.294 120.824 120.400 0.217 0.000 2.673 103 D HA 0.246 4.886 4.640 0.001 0.000 0.278 103 D C -0.498 175.899 176.300 0.161 0.000 1.393 103 D CA -0.402 53.667 54.000 0.115 0.000 0.805 103 D CB -0.133 40.716 40.800 0.083 0.000 1.110 103 D HN 0.560 nan 8.370 nan 0.000 0.476 104 F N 0.101 120.080 119.950 0.049 0.000 2.399 104 F HA 0.607 5.134 4.527 0.000 0.000 0.342 104 F C 0.317 176.170 175.800 0.087 0.000 1.106 104 F CA -0.858 57.183 58.000 0.067 0.000 1.196 104 F CB 0.415 39.460 39.000 0.075 0.000 1.163 104 F HN -0.343 nan 8.300 nan 0.000 0.547 105 M N 3.686 123.369 119.600 0.139 0.000 2.823 105 M HA 0.341 4.821 4.480 0.001 0.000 0.282 105 M C 1.527 177.950 176.300 0.205 0.000 1.177 105 M CA -0.992 54.357 55.300 0.083 0.000 0.871 105 M CB 1.217 33.865 32.600 0.079 0.000 1.595 105 M HN 0.980 nan 8.290 nan 0.000 0.524 106 I N 1.302 121.993 120.570 0.201 0.000 2.361 106 I HA -0.309 3.862 4.170 0.001 0.000 0.251 106 I C 2.242 178.518 176.117 0.265 0.000 1.133 106 I CA 1.592 63.062 61.300 0.283 0.000 1.413 106 I CB -0.150 37.986 38.000 0.226 0.000 1.073 106 I HN 0.703 nan 8.210 nan 0.000 0.424 107 K N -0.070 120.443 120.400 0.189 0.000 2.074 107 K HA -0.213 4.107 4.320 0.001 0.000 0.209 107 K C 0.748 177.466 176.600 0.197 0.000 1.048 107 K CA 1.889 58.276 56.287 0.166 0.000 0.926 107 K CB -0.542 32.026 32.500 0.113 0.000 0.713 107 K HN 0.314 nan 8.250 nan 0.000 0.444 108 D N 0.950 121.483 120.400 0.223 0.000 2.352 108 D HA 0.071 4.712 4.640 0.001 0.000 0.236 108 D C 1.214 177.646 176.300 0.221 0.000 1.148 108 D CA 0.205 54.329 54.000 0.207 0.000 0.844 108 D CB 0.277 41.224 40.800 0.245 0.000 0.933 108 D HN 0.260 nan 8.370 nan 0.000 0.507 109 L N -0.164 121.229 121.223 0.283 0.000 2.509 109 L HA 0.040 4.381 4.340 0.001 0.000 0.222 109 L C 1.323 178.150 176.870 -0.072 0.000 1.123 109 L CA 0.119 55.136 54.840 0.296 0.000 0.856 109 L CB 0.184 42.627 42.059 0.640 0.000 0.985 109 L HN -0.149 nan 8.230 nan 0.000 0.456 110 R N 0.927 121.203 120.500 -0.374 0.000 2.442 110 R HA 0.173 4.513 4.340 0.001 0.000 0.291 110 R C 0.592 176.649 176.300 -0.405 0.000 1.069 110 R CA 0.865 56.431 56.100 -0.890 0.000 1.022 110 R CB 0.497 30.403 30.300 -0.656 0.000 0.976 110 R HN 0.306 nan 8.270 nan 0.000 0.443 111 G N 3.038 111.635 108.800 -0.340 0.000 2.198 111 G HA2 -0.293 3.668 3.960 0.001 0.000 0.257 111 G HA3 -0.293 3.668 3.960 0.001 0.000 0.257 111 G C -0.029 174.819 174.900 -0.086 0.000 1.042 111 G CA 0.765 45.783 45.100 -0.137 0.000 0.791 111 G HN 0.531 nan 8.290 nan 0.000 0.502 112 K N -0.780 119.602 120.400 -0.029 0.000 2.303 112 K HA 0.867 5.187 4.320 0.001 0.000 0.233 112 K C 0.270 176.900 176.600 0.049 0.000 1.046 112 K CA 0.062 56.316 56.287 -0.054 0.000 0.895 112 K CB 1.487 33.946 32.500 -0.069 0.000 1.220 112 K HN 0.226 nan 8.250 nan 0.000 0.470 113 T N -0.362 114.141 114.554 -0.084 0.000 2.861 113 T HA 0.614 4.965 4.350 0.001 0.000 0.287 113 T C -1.344 173.190 174.700 -0.276 0.000 1.003 113 T CA -0.646 61.379 62.100 -0.126 0.000 0.977 113 T CB 0.582 69.408 68.868 -0.070 0.000 0.996 113 T HN 0.561 nan 8.240 nan 0.000 0.448 114 S N 2.716 118.167 115.700 -0.415 0.000 2.513 114 S HA 0.702 5.173 4.470 0.001 0.000 0.299 114 S C -0.568 173.904 174.600 -0.212 0.000 1.087 114 S CA -0.805 57.107 58.200 -0.479 0.000 1.012 114 S CB 0.701 63.400 63.200 -0.836 0.000 1.044 114 S HN 0.833 nan 8.310 nan 0.000 0.485 115 c N 3.741 122.149 118.600 -0.320 0.000 2.322 115 c HA 0.628 5.198 4.570 0.001 0.000 0.324 115 c C -0.026 173.912 174.090 -0.253 0.000 1.284 115 c CA -0.542 55.669 56.329 -0.197 0.000 1.606 115 c CB -0.605 41.746 42.510 -0.266 0.000 2.251 115 c HN 0.879 nan 8.230 nan 0.000 0.502 116 H N 1.199 120.294 119.070 0.042 0.000 2.572 116 H HA 0.245 4.801 4.556 0.001 0.000 0.359 116 H C 0.965 176.332 175.328 0.065 0.000 1.134 116 H CA 0.028 56.161 56.048 0.140 0.000 1.187 116 H CB 2.203 32.113 29.762 0.248 0.000 1.597 116 H HN 0.742 nan 8.280 nan 0.000 0.524 117 T N 0.353 114.990 114.554 0.139 0.000 2.737 117 T HA 0.101 4.451 4.350 0.001 0.000 0.265 117 T C 0.991 175.712 174.700 0.035 0.000 1.038 117 T CA 0.841 62.947 62.100 0.010 0.000 1.144 117 T CB 0.154 68.933 68.868 -0.149 0.000 0.866 117 T HN 0.739 nan 8.240 nan 0.000 0.434 118 G N 0.255 109.109 108.800 0.091 0.000 2.451 118 G HA2 0.459 4.419 3.960 0.001 0.000 0.292 118 G HA3 0.459 4.419 3.960 0.001 0.000 0.292 118 G C -2.020 172.836 174.900 -0.072 0.000 1.427 118 G CA -0.758 44.347 45.100 0.008 0.000 0.792 118 G HN 0.492 nan 8.290 nan 0.000 0.498 119 L N 1.332 122.381 121.223 -0.289 0.000 2.361 119 L HA 0.561 4.901 4.340 0.001 0.000 0.278 119 L C 1.357 177.997 176.870 -0.382 0.000 1.113 119 L CA 1.949 56.369 54.840 -0.700 0.000 0.849 119 L CB 0.592 42.236 42.059 -0.690 0.000 1.155 119 L HN 2.147 nan 8.230 nan 0.000 0.452 120 G N 3.464 112.066 108.800 -0.331 0.000 2.176 120 G HA2 -0.226 3.734 3.960 0.001 0.000 0.232 120 G HA3 -0.226 3.734 3.960 0.001 0.000 0.232 120 G C 0.550 175.495 174.900 0.076 0.000 0.986 120 G CA 0.060 45.150 45.100 -0.018 0.000 0.643 120 G HN 0.620 nan 8.290 nan 0.000 0.522 121 R N 0.790 121.357 120.500 0.111 0.000 2.410 121 R HA 0.585 4.926 4.340 0.001 0.000 0.288 121 R C 1.510 177.932 176.300 0.203 0.000 1.051 121 R CA 0.120 56.285 56.100 0.108 0.000 1.021 121 R CB 0.979 31.309 30.300 0.050 0.000 1.032 121 R HN 0.187 nan 8.270 nan 0.000 0.481 122 S N 1.953 117.773 115.700 0.202 0.000 2.426 122 S HA -0.269 4.201 4.470 0.001 0.000 0.220 122 S C 1.939 176.641 174.600 0.171 0.000 1.040 122 S CA 1.724 60.048 58.200 0.205 0.000 1.094 122 S CB -0.339 62.901 63.200 0.067 0.000 1.072 122 S HN 0.804 nan 8.310 nan 0.000 0.415 123 A N 1.240 124.198 122.820 0.230 0.000 1.930 123 A HA 0.142 4.462 4.320 0.001 0.000 0.217 123 A C 2.320 180.009 177.584 0.176 0.000 1.175 123 A CA 1.705 53.882 52.037 0.233 0.000 0.627 123 A CB -1.388 17.871 19.000 0.432 0.000 0.815 123 A HN 0.554 nan 8.150 nan 0.000 0.443 124 G N -2.258 106.659 108.800 0.196 0.000 2.402 124 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 124 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 124 G C 1.391 176.564 174.900 0.456 0.000 1.162 124 G CA 1.011 46.263 45.100 0.253 0.000 0.777 124 G HN 0.642 nan 8.290 nan 0.000 0.539 125 W N -0.030 121.330 121.300 0.101 0.000 4.386 125 W HA 0.103 4.763 4.660 0.000 0.000 0.195 125 W C 2.140 178.640 176.519 -0.033 0.000 1.368 125 W CA 0.154 57.530 57.345 0.051 0.000 2.422 125 W CB -0.472 28.986 29.460 -0.003 0.000 1.149 125 W HN 0.207 nan 8.180 nan 0.000 0.805 126 N N 1.168 119.921 118.700 0.088 0.000 2.021 126 N HA -0.260 4.480 4.740 0.001 0.000 0.198 126 N C 1.621 177.075 175.510 -0.094 0.000 1.041 126 N CA 2.232 55.248 53.050 -0.057 0.000 0.862 126 N CB -0.337 38.219 38.487 0.115 0.000 1.048 126 N HN -0.052 nan 8.380 nan 0.000 0.427 127 I N 1.299 121.876 120.570 0.012 0.000 2.076 127 I HA -0.176 3.994 4.170 0.001 0.000 0.237 127 I C -0.545 175.582 176.117 0.018 0.000 1.059 127 I CA 1.593 62.916 61.300 0.038 0.000 1.317 127 I CB -2.630 35.420 38.000 0.083 0.000 1.037 127 I HN 0.167 nan 8.210 nan 0.000 0.398 128 P HA -0.103 nan 4.420 nan 0.000 0.219 128 P C 1.947 179.061 177.300 -0.310 0.000 1.150 128 P CA 1.426 64.358 63.100 -0.279 0.000 0.814 128 P CB 0.046 30.861 31.700 -1.476 0.000 0.787 129 I N 0.422 120.681 120.570 -0.519 0.000 2.233 129 I HA -0.052 4.119 4.170 0.001 0.000 0.243 129 I C 2.794 178.593 176.117 -0.530 0.000 1.093 129 I CA 1.552 62.465 61.300 -0.645 0.000 1.380 129 I CB -2.335 34.953 38.000 -1.187 0.000 1.067 129 I HN 0.003 nan 8.210 nan 0.000 0.413 130 G N 0.751 109.253 108.800 -0.497 0.000 2.491 130 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 130 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 130 G C 1.641 176.238 174.900 -0.505 0.000 1.180 130 G CA 1.597 46.400 45.100 -0.496 0.000 0.774 130 G HN 0.341 nan 8.290 nan 0.000 0.562 131 T N 1.030 115.405 114.554 -0.298 0.000 2.881 131 T HA 0.016 4.366 4.350 0.001 0.000 0.270 131 T C 2.336 176.887 174.700 -0.248 0.000 1.068 131 T CA 0.734 62.692 62.100 -0.237 0.000 1.131 131 T CB -0.079 68.660 68.868 -0.215 0.000 0.871 131 T HN 0.149 nan 8.240 nan 0.000 0.479 132 L N -0.221 120.839 121.223 -0.271 0.000 2.162 132 L HA 0.147 4.487 4.340 0.001 0.000 0.205 132 L C 2.310 179.005 176.870 -0.292 0.000 1.086 132 L CA 0.656 55.306 54.840 -0.316 0.000 0.778 132 L CB -0.336 41.453 42.059 -0.449 0.000 0.928 132 L HN 0.240 nan 8.230 nan 0.000 0.446 133 I N -0.609 119.794 120.570 -0.278 0.000 2.127 133 I HA -0.343 3.828 4.170 0.001 0.000 0.241 133 I C 2.644 178.770 176.117 0.014 0.000 1.075 133 I CA 1.272 62.493 61.300 -0.132 0.000 1.334 133 I CB -0.550 37.379 38.000 -0.118 0.000 1.040 133 I HN 0.324 nan 8.210 nan 0.000 0.405 134 H N 1.068 120.090 119.070 -0.081 0.000 2.387 134 H HA -0.101 4.455 4.556 0.001 0.000 0.299 134 H C 2.396 177.677 175.328 -0.077 0.000 1.090 134 H CA 1.330 57.337 56.048 -0.067 0.000 1.332 134 H CB -0.321 29.397 29.762 -0.074 0.000 1.386 134 H HN 0.345 nan 8.280 nan 0.000 0.516 135 R N -0.216 120.293 120.500 0.015 0.000 2.054 135 R HA -0.035 4.305 4.340 0.001 0.000 0.223 135 R C 1.792 178.083 176.300 -0.016 0.000 1.176 135 R CA 1.781 57.866 56.100 -0.026 0.000 0.934 135 R CB 0.169 30.426 30.300 -0.072 0.000 0.828 135 R HN 0.350 nan 8.270 nan 0.000 0.441 136 E N -1.319 118.862 120.200 -0.031 0.000 2.209 136 E HA -0.036 4.314 4.350 0.001 0.000 0.192 136 E C 0.566 177.152 176.600 -0.024 0.000 0.979 136 E CA 0.358 56.755 56.400 -0.005 0.000 1.419 136 E CB -0.568 29.140 29.700 0.014 0.000 3.128 136 E HN 0.010 nan 8.360 nan 0.000 0.975 137 D N 1.662 122.032 120.400 -0.049 0.000 2.421 137 D HA -0.205 4.435 4.640 0.001 0.000 0.195 137 D C 0.666 176.836 176.300 -0.217 0.000 1.022 137 D CA 2.000 55.963 54.000 -0.062 0.000 0.871 137 D CB -0.413 40.325 40.800 -0.103 0.000 1.026 137 D HN 0.392 nan 8.370 nan 0.000 0.462 138 I N 1.421 121.690 120.570 -0.502 0.000 2.452 138 I HA 0.001 4.171 4.170 0.001 0.000 0.287 138 I C 0.371 176.445 176.117 -0.073 0.000 1.079 138 I CA 0.230 61.315 61.300 -0.357 0.000 1.387 138 I CB 0.355 38.041 38.000 -0.523 0.000 1.404 138 I HN -0.083 nan 8.210 nan 0.000 0.522 139 E N 6.326 126.547 120.200 0.035 0.000 1.924 139 E HA 0.111 4.461 4.350 0.001 0.000 0.261 139 E C -1.173 175.523 176.600 0.159 0.000 1.088 139 E CA -0.298 56.153 56.400 0.084 0.000 0.909 139 E CB 0.563 30.308 29.700 0.074 0.000 1.112 139 E HN 0.438 nan 8.360 nan 0.000 0.425 140 W N 3.075 124.350 121.300 -0.042 0.000 2.463 140 W HA 0.292 4.952 4.660 0.001 0.000 0.316 140 W C -0.809 175.697 176.519 -0.022 0.000 1.004 140 W CA -0.556 56.771 57.345 -0.031 0.000 1.309 140 W CB 0.954 30.385 29.460 -0.049 0.000 1.288 140 W HN 0.230 nan 8.180 nan 0.000 0.423 141 E N 5.010 124.993 120.200 -0.361 0.000 3.786 141 E HA 0.447 4.798 4.350 0.001 0.000 0.215 141 E C 0.503 176.762 176.600 -0.568 0.000 1.188 141 E CA -0.087 56.064 56.400 -0.416 0.000 1.248 141 E CB 0.478 30.067 29.700 -0.186 0.000 1.260 141 E HN 0.770 nan 8.360 nan 0.000 0.426 142 G N 1.637 109.757 108.800 -1.134 0.000 2.846 142 G HA2 -0.264 3.697 3.960 0.001 0.000 0.660 142 G HA3 -0.264 3.697 3.960 0.001 0.000 0.660 142 G C -0.445 174.138 174.900 -0.530 0.000 1.464 142 G CA -0.517 43.962 45.100 -1.035 0.000 0.891 142 G HN 0.427 nan 8.290 nan 0.000 0.552 143 I N 0.957 121.358 120.570 -0.282 0.000 2.412 143 I HA 0.372 4.542 4.170 0.001 0.000 0.279 143 I C 0.779 176.868 176.117 -0.047 0.000 1.063 143 I CA -0.748 60.527 61.300 -0.043 0.000 1.193 143 I CB 0.453 38.536 38.000 0.138 0.000 1.370 143 I HN 0.706 nan 8.210 nan 0.000 0.479 144 E N 3.371 123.534 120.200 -0.061 0.000 2.140 144 E HA 0.035 4.385 4.350 0.001 0.000 0.191 144 E C 0.551 177.142 176.600 -0.014 0.000 0.973 144 E CA 0.509 56.883 56.400 -0.043 0.000 0.829 144 E CB 0.522 30.191 29.700 -0.053 0.000 0.781 144 E HN 0.587 nan 8.360 nan 0.000 0.466 145 S N -0.139 115.556 115.700 -0.008 0.000 3.402 145 S HA 0.209 4.679 4.470 0.001 0.000 0.127 145 S C -0.443 174.159 174.600 0.003 0.000 0.852 145 S CA 0.141 58.345 58.200 0.006 0.000 0.823 145 S CB -0.298 62.906 63.200 0.006 0.000 1.333 145 S HN 0.218 nan 8.310 nan 0.000 0.663 146 G N 1.604 110.403 108.800 -0.002 0.000 2.367 146 G HA2 0.640 4.600 3.960 0.001 0.000 0.314 146 G HA3 0.640 4.600 3.960 0.001 0.000 0.314 146 G C -0.255 174.679 174.900 0.056 0.000 1.130 146 G CA -0.568 44.530 45.100 -0.003 0.000 0.864 146 G HN 0.515 nan 8.290 nan 0.000 0.486 147 I N 1.187 121.799 120.570 0.071 0.000 2.581 147 I HA 0.285 4.455 4.170 0.001 0.000 0.288 147 I C 1.220 177.447 176.117 0.183 0.000 1.047 147 I CA 0.133 61.496 61.300 0.105 0.000 1.374 147 I CB 1.799 39.847 38.000 0.080 0.000 1.423 147 I HN 0.730 nan 8.210 nan 0.000 0.549 148 S N 2.351 118.186 115.700 0.225 0.000 5.461 148 S HA 0.045 4.516 4.470 0.001 0.000 0.132 148 S C 1.197 175.919 174.600 0.204 0.000 1.056 148 S CA -0.448 57.974 58.200 0.369 0.000 1.361 148 S CB -0.095 63.494 63.200 0.648 0.000 2.077 148 S HN 0.568 nan 8.310 nan 0.000 0.692 149 E N 1.318 121.529 120.200 0.019 0.000 2.171 149 E HA -0.079 4.271 4.350 0.001 0.000 0.197 149 E C -0.053 176.495 176.600 -0.087 0.000 0.997 149 E CA 1.057 57.289 56.400 -0.279 0.000 0.810 149 E CB -0.200 29.379 29.700 -0.202 0.000 0.738 149 E HN 0.539 nan 8.360 nan 0.000 0.467 150 Q N -0.879 118.950 119.800 0.047 0.000 2.835 150 Q HA 0.304 4.644 4.340 0.001 0.000 0.235 150 Q C -0.144 175.914 176.000 0.098 0.000 1.313 150 Q CA 0.059 55.929 55.803 0.112 0.000 1.053 150 Q CB 1.099 29.886 28.738 0.081 0.000 1.443 150 Q HN 0.107 nan 8.270 nan 0.000 0.576 151 A N 0.420 123.290 122.820 0.083 0.000 2.661 151 A HA 0.183 4.504 4.320 0.001 0.000 0.278 151 A C 0.840 178.471 177.584 0.079 0.000 1.090 151 A CA 0.060 52.153 52.037 0.093 0.000 0.969 151 A CB 0.375 19.448 19.000 0.121 0.000 1.240 151 A HN 0.437 nan 8.150 nan 0.000 0.578 152 V N -0.988 118.987 119.914 0.100 0.000 2.825 152 V HA 0.195 4.315 4.120 0.001 0.000 0.246 152 V C 2.207 178.466 176.094 0.276 0.000 1.068 152 V CA 2.031 64.420 62.300 0.149 0.000 1.088 152 V CB -0.008 31.896 31.823 0.136 0.000 0.733 152 V HN 0.511 nan 8.190 nan 0.000 0.468 153 A N 0.887 123.847 122.820 0.233 0.000 1.892 153 A HA -0.274 4.046 4.320 0.001 0.000 0.218 153 A C 2.106 179.789 177.584 0.166 0.000 1.188 153 A CA 2.589 54.744 52.037 0.198 0.000 0.631 153 A CB -0.682 18.403 19.000 0.142 0.000 0.822 153 A HN 0.589 nan 8.150 nan 0.000 0.447 154 K N -1.214 119.270 120.400 0.141 0.000 2.026 154 K HA -0.045 4.275 4.320 0.001 0.000 0.208 154 K C 1.632 178.303 176.600 0.119 0.000 1.048 154 K CA 1.540 57.898 56.287 0.118 0.000 0.929 154 K CB -0.551 32.016 32.500 0.112 0.000 0.713 154 K HN 0.521 nan 8.250 nan 0.000 0.439 155 F N 0.162 120.083 119.950 -0.049 0.000 2.084 155 F HA 0.036 4.564 4.527 0.001 0.000 0.296 155 F C 0.381 176.105 175.800 -0.127 0.000 1.111 155 F CA 0.836 58.736 58.000 -0.168 0.000 1.224 155 F CB 0.059 38.850 39.000 -0.348 0.000 0.991 155 F HN -0.189 nan 8.300 nan 0.000 0.471 156 F N 0.801 120.844 119.950 0.156 0.000 2.389 156 F HA 0.177 4.704 4.527 0.001 0.000 0.337 156 F C 1.797 177.611 175.800 0.024 0.000 1.112 156 F CA -0.459 57.583 58.000 0.069 0.000 1.192 156 F CB 0.778 39.914 39.000 0.227 0.000 1.185 156 F HN -0.024 nan 8.300 nan 0.000 0.552 157 S N 1.148 116.961 115.700 0.188 0.000 2.387 157 S HA 0.400 4.870 4.470 0.001 0.000 0.226 157 S C 0.584 175.249 174.600 0.109 0.000 1.026 157 S CA 0.490 58.747 58.200 0.095 0.000 0.972 157 S CB -0.156 63.066 63.200 0.037 0.000 0.814 157 S HN 0.762 nan 8.310 nan 0.000 0.477 158 A N -0.081 122.810 122.820 0.120 0.000 2.589 158 A HA 0.754 5.075 4.320 0.001 0.000 0.296 158 A C -0.607 177.030 177.584 0.088 0.000 1.062 158 A CA -0.612 51.485 52.037 0.100 0.000 0.686 158 A CB 1.498 20.534 19.000 0.059 0.000 1.282 158 A HN 0.211 nan 8.150 nan 0.000 0.404 159 S N -0.858 114.901 115.700 0.098 0.000 2.697 159 S HA 0.694 5.164 4.470 0.001 0.000 0.289 159 S C -1.175 173.487 174.600 0.103 0.000 1.149 159 S CA -0.417 57.835 58.200 0.086 0.000 0.850 159 S CB 1.711 65.003 63.200 0.154 0.000 1.151 159 S HN 1.546 nan 8.310 nan 0.000 0.491 160 c N 2.567 121.249 118.600 0.137 0.000 2.321 160 c HA 0.787 5.357 4.570 0.001 0.000 0.323 160 c C -1.146 173.053 174.090 0.183 0.000 1.191 160 c CA -0.149 56.271 56.329 0.152 0.000 1.455 160 c CB -1.338 41.294 42.510 0.203 0.000 2.083 160 c HN 0.567 nan 8.230 nan 0.000 0.442 161 V N 8.715 128.687 119.914 0.098 0.000 2.385 161 V HA 0.353 4.473 4.120 0.001 0.000 0.277 161 V C -2.280 173.787 176.094 -0.043 0.000 1.012 161 V CA -1.179 61.133 62.300 0.019 0.000 0.832 161 V CB 1.498 33.232 31.823 -0.149 0.000 1.028 161 V HN 0.726 nan 8.190 nan 0.000 0.436 162 P HA 0.325 nan 4.420 nan 0.000 0.266 162 P C 1.034 178.290 177.300 -0.074 0.000 1.215 162 P CA 1.091 64.182 63.100 -0.015 0.000 0.763 162 P CB 0.822 32.538 31.700 0.027 0.000 0.806 163 G N 2.561 111.314 108.800 -0.078 0.000 2.255 163 G HA2 -0.109 3.852 3.960 0.001 0.000 0.196 163 G HA3 -0.109 3.852 3.960 0.001 0.000 0.196 163 G C 0.326 175.149 174.900 -0.128 0.000 0.998 163 G CA -0.108 44.937 45.100 -0.091 0.000 0.656 163 G HN 0.785 nan 8.290 nan 0.000 0.490 164 A N 1.393 124.119 122.820 -0.156 0.000 2.515 164 A HA 0.566 4.887 4.320 0.001 0.000 0.263 164 A C 1.284 178.815 177.584 -0.089 0.000 1.096 164 A CA 1.757 53.700 52.037 -0.156 0.000 0.769 164 A CB -0.103 18.803 19.000 -0.156 0.000 1.040 164 A HN 1.476 nan 8.150 nan 0.000 0.505 165 T N 0.079 114.588 114.554 -0.076 0.000 3.231 165 T HA 0.305 4.655 4.350 0.001 0.000 0.292 165 T C 0.885 175.566 174.700 -0.033 0.000 1.001 165 T CA 0.353 62.425 62.100 -0.047 0.000 0.920 165 T CB -0.370 68.472 68.868 -0.045 0.000 1.140 165 T HN 0.644 nan 8.240 nan 0.000 0.525 166 I N -2.324 118.226 120.570 -0.034 0.000 3.443 166 I HA 0.498 4.668 4.170 0.001 0.000 0.277 166 I C 0.122 176.239 176.117 0.001 0.000 1.169 166 I CA 0.081 61.372 61.300 -0.014 0.000 1.419 166 I CB -0.636 37.355 38.000 -0.015 0.000 1.331 166 I HN 0.003 nan 8.210 nan 0.000 0.458 167 E N 1.713 121.913 120.200 0.000 0.000 2.227 167 E HA 0.332 4.683 4.350 0.001 0.000 0.268 167 E C 0.285 176.894 176.600 0.015 0.000 0.990 167 E CA -0.373 56.039 56.400 0.020 0.000 0.856 167 E CB 2.337 32.062 29.700 0.043 0.000 1.159 167 E HN 0.133 nan 8.360 nan 0.000 0.401 168 Q N 0.968 120.783 119.800 0.026 0.000 2.423 168 Q HA 0.108 4.448 4.340 0.001 0.000 0.231 168 Q C 1.254 177.276 176.000 0.037 0.000 0.894 168 Q CA 0.612 56.429 55.803 0.024 0.000 0.938 168 Q CB 0.385 29.135 28.738 0.020 0.000 1.079 168 Q HN 0.408 nan 8.270 nan 0.000 0.552 169 K N 0.416 120.848 120.400 0.054 0.000 2.097 169 K HA -0.038 4.283 4.320 0.001 0.000 0.206 169 K C 2.063 178.717 176.600 0.089 0.000 1.049 169 K CA 0.818 57.150 56.287 0.074 0.000 0.933 169 K CB 0.051 32.610 32.500 0.097 0.000 0.717 169 K HN 0.205 nan 8.250 nan 0.000 0.442 170 L N -0.001 121.273 121.223 0.084 0.000 2.217 170 L HA -0.143 4.198 4.340 0.001 0.000 0.211 170 L C 2.235 179.132 176.870 0.045 0.000 1.107 170 L CA 0.610 55.496 54.840 0.076 0.000 0.783 170 L CB -0.208 41.882 42.059 0.051 0.000 0.919 170 L HN 0.239 nan 8.230 nan 0.000 0.442 171 c N -1.147 117.471 118.600 0.031 0.000 2.673 171 c HA 0.035 4.605 4.570 0.001 0.000 0.264 171 c C 2.761 176.869 174.090 0.031 0.000 1.304 171 c CA -0.291 56.051 56.329 0.022 0.000 1.727 171 c CB -0.532 41.980 42.510 0.003 0.000 1.932 171 c HN 0.433 nan 8.230 nan 0.000 0.563 172 R N 1.049 121.573 120.500 0.040 0.000 2.103 172 R HA -0.151 4.190 4.340 0.001 0.000 0.242 172 R C 1.856 178.182 176.300 0.044 0.000 1.142 172 R CA 1.495 57.618 56.100 0.037 0.000 0.960 172 R CB -0.083 30.242 30.300 0.042 0.000 0.858 172 R HN 0.440 nan 8.270 nan 0.000 0.439 173 Q N -0.665 119.177 119.800 0.069 0.000 2.365 173 Q HA 0.076 4.417 4.340 0.001 0.000 0.203 173 Q C -0.200 175.895 176.000 0.158 0.000 0.929 173 Q CA 0.114 55.975 55.803 0.097 0.000 0.948 173 Q CB 0.303 29.096 28.738 0.091 0.000 1.043 173 Q HN 0.302 nan 8.270 nan 0.000 0.505 174 c N 2.320 120.979 118.600 0.099 0.000 2.576 174 c HA 0.229 4.799 4.570 0.001 0.000 0.401 174 c C 1.094 175.048 174.090 -0.226 0.000 1.314 174 c CA -0.827 55.521 56.329 0.031 0.000 1.855 174 c CB 0.127 42.654 42.510 0.029 0.000 2.537 174 c HN 0.186 nan 8.230 nan 0.000 0.578 175 K N 1.695 121.674 120.400 -0.702 0.000 2.138 175 K HA 0.574 4.895 4.320 0.001 0.000 0.251 175 K C 0.571 176.937 176.600 -0.390 0.000 1.015 175 K CA 0.853 56.742 56.287 -0.664 0.000 0.917 175 K CB 1.003 32.817 32.500 -1.143 0.000 1.021 175 K HN 1.104 nan 8.250 nan 0.000 0.485 176 G N 2.096 110.746 108.800 -0.250 0.000 2.422 176 G HA2 -0.175 3.786 3.960 0.001 0.000 0.607 176 G HA3 -0.175 3.786 3.960 0.001 0.000 0.607 176 G C -0.290 174.547 174.900 -0.104 0.000 1.270 176 G CA -0.253 44.757 45.100 -0.151 0.000 0.992 176 G HN 0.609 nan 8.290 nan 0.000 0.499 177 D N -0.535 119.821 120.400 -0.073 0.000 1.392 177 D HA 0.446 5.086 4.640 0.001 0.000 0.319 177 D C 2.090 178.361 176.300 -0.049 0.000 1.214 177 D CA 2.219 56.187 54.000 -0.053 0.000 1.004 177 D CB -0.209 40.566 40.800 -0.040 0.000 1.823 177 D HN 1.130 nan 8.370 nan 0.000 0.586 178 A N -1.379 121.418 122.820 -0.038 0.000 1.853 178 A HA 0.123 4.443 4.320 0.001 0.000 0.204 178 A C 1.697 179.265 177.584 -0.027 0.000 1.724 178 A CA 0.581 52.599 52.037 -0.031 0.000 1.105 178 A CB -0.212 18.773 19.000 -0.025 0.000 1.101 178 A HN 0.247 nan 8.150 nan 0.000 0.495 179 K N 0.504 120.888 120.400 -0.026 0.000 2.098 179 K HA -0.066 4.254 4.320 0.001 0.000 0.203 179 K C 1.541 178.126 176.600 -0.026 0.000 1.051 179 K CA 1.927 58.199 56.287 -0.024 0.000 0.957 179 K CB -0.137 32.350 32.500 -0.021 0.000 0.738 179 K HN 0.452 nan 8.250 nan 0.000 0.447 180 T N -1.187 113.349 114.554 -0.030 0.000 3.163 180 T HA 0.140 4.490 4.350 0.001 0.000 0.252 180 T C 1.100 175.777 174.700 -0.039 0.000 1.056 180 T CA -0.100 61.981 62.100 -0.031 0.000 0.947 180 T CB 0.110 68.960 68.868 -0.029 0.000 1.016 180 T HN 0.380 nan 8.240 nan 0.000 0.554 181 K N -0.381 119.992 120.400 -0.046 0.000 2.243 181 K HA 0.245 4.565 4.320 0.001 0.000 0.201 181 K C 1.468 178.047 176.600 -0.035 0.000 1.051 181 K CA 0.302 56.552 56.287 -0.063 0.000 0.970 181 K CB -0.285 32.169 32.500 -0.077 0.000 0.755 181 K HN 0.288 nan 8.250 nan 0.000 0.465 182 c N 2.209 120.796 118.600 -0.023 0.000 2.469 182 c HA 0.460 5.030 4.570 0.001 0.000 0.298 182 c C -0.144 173.936 174.090 -0.018 0.000 1.436 182 c CA -0.949 55.372 56.329 -0.014 0.000 1.783 182 c CB -1.509 40.991 42.510 -0.018 0.000 2.726 182 c HN 0.378 nan 8.230 nan 0.000 0.541 183 L N 0.321 121.537 121.223 -0.013 0.000 2.400 183 L HA 0.428 4.768 4.340 0.001 0.000 0.264 183 L C 1.568 178.441 176.870 0.004 0.000 1.061 183 L CA -0.496 54.338 54.840 -0.010 0.000 0.799 183 L CB 0.607 42.658 42.059 -0.013 0.000 1.240 183 L HN 0.211 nan 8.230 nan 0.000 0.461 184 R N 0.582 121.089 120.500 0.011 0.000 2.075 184 R HA -0.146 4.194 4.340 0.001 0.000 0.232 184 R C 1.641 177.965 176.300 0.040 0.000 1.126 184 R CA 1.915 58.036 56.100 0.035 0.000 0.963 184 R CB -0.119 30.221 30.300 0.067 0.000 0.858 184 R HN 0.727 nan 8.270 nan 0.000 0.435 185 N N -0.185 118.535 118.700 0.034 0.000 2.422 185 N HA -0.001 4.739 4.740 0.001 0.000 0.181 185 N C 0.714 176.240 175.510 0.027 0.000 1.080 185 N CA 0.547 53.618 53.050 0.034 0.000 0.893 185 N CB -0.406 38.099 38.487 0.030 0.000 0.973 185 N HN 0.075 nan 8.380 nan 0.000 0.456 186 G N 1.401 110.213 108.800 0.019 0.000 2.818 186 G HA2 0.023 3.983 3.960 0.001 0.000 0.235 186 G HA3 0.023 3.983 3.960 0.001 0.000 0.235 186 G C -1.131 173.787 174.900 0.029 0.000 1.244 186 G CA -0.632 44.474 45.100 0.009 0.000 0.853 186 G HN 0.145 nan 8.290 nan 0.000 0.596 187 P HA -0.110 nan 4.420 nan 0.000 0.222 187 P C 0.482 177.900 177.300 0.196 0.000 1.147 187 P CA 1.134 64.258 63.100 0.041 0.000 0.790 187 P CB 0.181 31.846 31.700 -0.059 0.000 0.780 188 Y N 0.320 120.616 120.300 -0.007 0.000 2.571 188 Y HA 0.202 4.752 4.550 0.001 0.000 0.275 188 Y C 1.345 177.245 175.900 -0.000 0.000 1.179 188 Y CA -1.272 56.824 58.100 -0.008 0.000 1.242 188 Y CB -0.636 37.816 38.460 -0.013 0.000 1.126 188 Y HN -0.029 nan 8.280 nan 0.000 0.524 189 S N -0.998 114.784 115.700 0.138 0.000 2.651 189 S HA 0.816 5.286 4.470 0.001 0.000 0.291 189 S C 0.526 175.146 174.600 0.033 0.000 1.141 189 S CA 0.092 58.332 58.200 0.067 0.000 1.027 189 S CB 2.167 65.397 63.200 0.051 0.000 1.043 189 S HN 0.662 nan 8.310 nan 0.000 0.530 190 G N 1.094 109.879 108.800 -0.026 0.000 2.660 190 G HA2 -0.202 3.758 3.960 0.001 0.000 0.247 190 G HA3 -0.202 3.758 3.960 0.001 0.000 0.247 190 G C -0.098 174.736 174.900 -0.111 0.000 1.328 190 G CA 0.097 45.133 45.100 -0.107 0.000 0.884 190 G HN 0.835 nan 8.290 nan 0.000 0.531 191 Y N 0.297 120.595 120.300 -0.004 0.000 2.145 191 Y HA -0.020 4.531 4.550 0.001 0.000 0.286 191 Y C 3.448 179.338 175.900 -0.017 0.000 1.145 191 Y CA 2.277 60.358 58.100 -0.033 0.000 1.148 191 Y CB -0.744 37.652 38.460 -0.107 0.000 0.981 191 Y HN 0.451 nan 8.280 nan 0.000 0.507 192 S N -0.299 115.496 115.700 0.158 0.000 2.368 192 S HA -0.158 4.312 4.470 0.001 0.000 0.225 192 S C 2.376 177.027 174.600 0.085 0.000 1.030 192 S CA 1.260 59.527 58.200 0.112 0.000 0.999 192 S CB -0.957 62.291 63.200 0.079 0.000 0.844 192 S HN 0.660 nan 8.310 nan 0.000 0.459 193 G N 0.849 109.683 108.800 0.056 0.000 2.408 193 G HA2 0.000 3.961 3.960 0.001 0.000 0.217 193 G HA3 0.000 3.961 3.960 0.001 0.000 0.217 193 G C 1.506 176.324 174.900 -0.135 0.000 1.150 193 G CA 0.831 45.950 45.100 0.032 0.000 0.776 193 G HN 0.565 nan 8.290 nan 0.000 0.542 194 A N 0.163 122.931 122.820 -0.087 0.000 1.968 194 A HA 0.157 4.478 4.320 0.001 0.000 0.217 194 A C 2.097 179.572 177.584 -0.182 0.000 1.169 194 A CA 1.235 53.178 52.037 -0.156 0.000 0.638 194 A CB -0.454 18.505 19.000 -0.068 0.000 0.812 194 A HN 0.331 nan 8.150 nan 0.000 0.446 195 F N 0.615 120.436 119.950 -0.214 0.000 2.186 195 F HA -0.136 4.391 4.527 0.001 0.000 0.299 195 F C 2.317 177.962 175.800 -0.258 0.000 1.090 195 F CA 2.035 59.889 58.000 -0.242 0.000 1.307 195 F CB -0.363 38.505 39.000 -0.221 0.000 1.019 195 F HN 0.322 nan 8.300 nan 0.000 0.489 196 Q N -0.220 119.326 119.800 -0.424 0.000 2.172 196 Q HA -0.164 4.176 4.340 0.001 0.000 0.200 196 Q C 2.510 178.159 176.000 -0.585 0.000 0.964 196 Q CA 1.839 57.387 55.803 -0.424 0.000 0.855 196 Q CB -1.132 27.524 28.738 -0.137 0.000 0.918 196 Q HN 0.534 nan 8.270 nan 0.000 0.444 197 c N -0.509 117.507 118.600 -0.973 0.000 2.413 197 c HA -0.134 4.436 4.570 0.001 0.000 0.276 197 c C 2.520 176.294 174.090 -0.527 0.000 1.236 197 c CA 1.203 56.807 56.329 -1.207 0.000 1.735 197 c CB -1.277 40.468 42.510 -1.275 0.000 2.031 197 c HN 0.713 nan 8.230 nan 0.000 0.474 198 L N 1.241 122.177 121.223 -0.478 0.000 2.056 198 L HA -0.029 4.311 4.340 0.001 0.000 0.207 198 L C 2.569 179.245 176.870 -0.323 0.000 1.078 198 L CA 2.109 56.740 54.840 -0.348 0.000 0.749 198 L CB -0.993 40.871 42.059 -0.325 0.000 0.901 198 L HN 0.338 nan 8.230 nan 0.000 0.433 199 K N -0.453 119.642 120.400 -0.509 0.000 2.032 199 K HA -0.222 4.099 4.320 0.001 0.000 0.209 199 K C 1.787 178.304 176.600 -0.138 0.000 1.048 199 K CA 1.926 58.020 56.287 -0.322 0.000 0.927 199 K CB -0.190 32.066 32.500 -0.406 0.000 0.712 199 K HN 0.385 nan 8.250 nan 0.000 0.441 200 D N -1.023 119.300 120.400 -0.129 0.000 2.133 200 D HA -0.120 4.521 4.640 0.001 0.000 0.195 200 D C 1.054 177.338 176.300 -0.027 0.000 0.997 200 D CA 1.727 55.702 54.000 -0.042 0.000 0.840 200 D CB -0.113 40.705 40.800 0.029 0.000 0.947 200 D HN 0.544 nan 8.370 nan 0.000 0.452 201 G N -0.050 108.720 108.800 -0.051 0.000 2.173 201 G HA2 -0.225 3.735 3.960 0.001 0.000 0.174 201 G HA3 -0.225 3.735 3.960 0.001 0.000 0.174 201 G C 0.644 175.526 174.900 -0.029 0.000 1.025 201 G CA 0.017 45.095 45.100 -0.038 0.000 0.706 201 G HN 0.288 nan 8.290 nan 0.000 0.499 202 K N 0.112 120.492 120.400 -0.033 0.000 2.417 202 K HA 0.387 4.707 4.320 0.001 0.000 0.196 202 K C 1.082 177.655 176.600 -0.045 0.000 1.023 202 K CA 0.617 56.909 56.287 0.008 0.000 1.122 202 K CB 1.039 33.626 32.500 0.145 0.000 0.850 202 K HN 0.758 nan 8.250 nan 0.000 0.521 203 G N 0.002 108.746 108.800 -0.094 0.000 2.646 203 G HA2 0.108 4.069 3.960 0.001 0.000 0.291 203 G HA3 0.108 4.069 3.960 0.001 0.000 0.291 203 G C -0.857 173.976 174.900 -0.112 0.000 1.445 203 G CA -0.498 44.522 45.100 -0.133 0.000 0.814 203 G HN -0.175 nan 8.290 nan 0.000 0.495 204 D N -1.133 119.191 120.400 -0.127 0.000 2.338 204 D HA 0.131 4.771 4.640 0.001 0.000 0.208 204 D C 1.015 177.383 176.300 0.113 0.000 0.997 204 D CA 1.236 55.201 54.000 -0.059 0.000 0.880 204 D CB 1.238 41.868 40.800 -0.283 0.000 0.980 204 D HN 0.456 nan 8.370 nan 0.000 0.509 205 V N -1.837 118.026 119.914 -0.085 0.000 2.971 205 V HA 0.861 4.981 4.120 0.001 0.000 0.309 205 V C -1.003 174.806 176.094 -0.475 0.000 1.130 205 V CA -1.375 60.784 62.300 -0.235 0.000 0.964 205 V CB 1.848 33.419 31.823 -0.419 0.000 1.029 205 V HN -0.037 nan 8.190 nan 0.000 0.427 206 A N 2.562 125.105 122.820 -0.461 0.000 2.355 206 A HA 0.897 5.217 4.320 0.001 0.000 0.317 206 A C -1.272 176.002 177.584 -0.516 0.000 1.094 206 A CA -0.374 51.405 52.037 -0.430 0.000 0.764 206 A CB 1.177 20.064 19.000 -0.187 0.000 1.230 206 A HN 0.771 nan 8.150 nan 0.000 0.448 207 F N 2.917 122.704 119.950 -0.272 0.000 2.351 207 F HA 0.443 4.971 4.527 0.001 0.000 0.362 207 F C 0.706 176.439 175.800 -0.112 0.000 1.131 207 F CA -0.388 57.449 58.000 -0.272 0.000 1.187 207 F CB 0.850 39.622 39.000 -0.380 0.000 1.434 207 F HN 0.517 nan 8.300 nan 0.000 0.553 208 V N 0.156 120.131 119.914 0.100 0.000 3.119 208 V HA 0.687 4.807 4.120 0.001 0.000 0.309 208 V C -0.457 175.751 176.094 0.191 0.000 1.304 208 V CA -1.290 61.120 62.300 0.184 0.000 1.057 208 V CB 1.864 33.746 31.823 0.098 0.000 1.150 208 V HN 0.420 nan 8.190 nan 0.000 0.474 209 K N -0.258 120.217 120.400 0.124 0.000 2.267 209 K HA 0.471 4.792 4.320 0.001 0.000 0.236 209 K C 0.990 177.478 176.600 -0.187 0.000 1.030 209 K CA 0.050 56.312 56.287 -0.042 0.000 0.930 209 K CB 0.780 33.013 32.500 -0.445 0.000 1.182 209 K HN 0.938 nan 8.250 nan 0.000 0.474 210 H N -0.714 118.178 119.070 -0.296 0.000 2.547 210 H HA -0.015 4.541 4.556 0.001 0.000 0.272 210 H C 0.762 175.731 175.328 -0.599 0.000 0.989 210 H CA 1.396 57.138 56.048 -0.510 0.000 1.214 210 H CB -0.171 29.106 29.762 -0.808 0.000 1.389 210 H HN 0.772 nan 8.280 nan 0.000 0.577 211 T N -3.039 110.990 114.554 -0.874 0.000 3.054 211 T HA 0.103 4.453 4.350 0.001 0.000 0.255 211 T C 1.408 175.793 174.700 -0.526 0.000 1.035 211 T CA 0.299 61.978 62.100 -0.701 0.000 0.941 211 T CB -0.198 68.243 68.868 -0.711 0.000 1.026 211 T HN 0.177 nan 8.240 nan 0.000 0.533 212 T N 1.970 116.218 114.554 -0.510 0.000 2.821 212 T HA -0.015 4.335 4.350 0.001 0.000 0.267 212 T C 2.022 176.319 174.700 -0.672 0.000 1.046 212 T CA 0.928 62.737 62.100 -0.486 0.000 1.139 212 T CB -0.390 68.270 68.868 -0.347 0.000 0.871 212 T HN 0.223 nan 8.240 nan 0.000 0.454 213 V N 1.298 120.800 119.914 -0.686 0.000 2.261 213 V HA -0.184 3.936 4.120 0.001 0.000 0.246 213 V C 2.622 178.429 176.094 -0.478 0.000 1.047 213 V CA 1.757 63.586 62.300 -0.784 0.000 1.015 213 V CB -0.600 30.897 31.823 -0.544 0.000 0.642 213 V HN 0.366 nan 8.190 nan 0.000 0.446 214 Q N -0.434 119.166 119.800 -0.333 0.000 2.364 214 Q HA -0.188 4.152 4.340 0.001 0.000 0.209 214 Q C 1.959 177.839 176.000 -0.199 0.000 0.977 214 Q CA 1.487 57.156 55.803 -0.223 0.000 0.885 214 Q CB -0.017 28.606 28.738 -0.192 0.000 0.941 214 Q HN 0.726 nan 8.270 nan 0.000 0.464 215 E N -1.615 118.443 120.200 -0.236 0.000 2.364 215 E HA 0.041 4.391 4.350 0.001 0.000 0.196 215 E C 0.803 177.324 176.600 -0.132 0.000 0.990 215 E CA 0.475 56.768 56.400 -0.178 0.000 0.886 215 E CB 0.309 29.890 29.700 -0.198 0.000 0.866 215 E HN 0.390 nan 8.360 nan 0.000 0.493 216 N N -0.307 118.290 118.700 -0.171 0.000 2.227 216 N HA 0.192 4.933 4.740 0.001 0.000 0.196 216 N C -0.335 175.172 175.510 -0.004 0.000 1.142 216 N CA 0.231 53.238 53.050 -0.071 0.000 0.887 216 N CB 1.584 40.044 38.487 -0.044 0.000 1.022 216 N HN -0.023 nan 8.380 nan 0.000 0.500 217 A N 0.375 123.149 122.820 -0.076 0.000 2.778 217 A HA 0.211 4.531 4.320 0.001 0.000 0.249 217 A C -2.345 175.227 177.584 -0.019 0.000 1.317 217 A CA -0.566 51.480 52.037 0.015 0.000 1.170 217 A CB 0.172 19.265 19.000 0.154 0.000 1.341 217 A HN -0.088 nan 8.150 nan 0.000 0.785 218 P HA -0.109 nan 4.420 nan 0.000 0.222 218 P C 0.982 178.282 177.300 -0.001 0.000 1.153 218 P CA 1.258 64.338 63.100 -0.033 0.000 0.798 218 P CB 0.294 31.970 31.700 -0.041 0.000 0.796 219 E N 1.310 121.519 120.200 0.015 0.000 2.028 219 E HA -0.144 4.207 4.350 0.001 0.000 0.190 219 E C 1.142 177.770 176.600 0.047 0.000 0.984 219 E CA 0.902 57.319 56.400 0.027 0.000 0.800 219 E CB -0.459 29.259 29.700 0.031 0.000 0.758 219 E HN 0.500 nan 8.360 nan 0.000 0.448 220 E N 1.767 122.016 120.200 0.083 0.000 3.105 220 E HA 0.106 4.456 4.350 0.001 0.000 0.219 220 E C 0.957 177.664 176.600 0.179 0.000 1.064 220 E CA -0.283 56.187 56.400 0.117 0.000 1.342 220 E CB 0.252 30.040 29.700 0.146 0.000 1.295 220 E HN 0.188 nan 8.360 nan 0.000 0.438 221 K N 1.354 121.825 120.400 0.119 0.000 2.217 221 K HA -0.148 4.172 4.320 0.001 0.000 0.202 221 K C 0.968 177.639 176.600 0.119 0.000 1.051 221 K CA 1.391 57.754 56.287 0.127 0.000 0.952 221 K CB -0.102 32.423 32.500 0.042 0.000 0.736 221 K HN 0.230 nan 8.250 nan 0.000 0.453 222 D N 1.126 121.565 120.400 0.063 0.000 2.371 222 D HA -0.143 4.498 4.640 0.001 0.000 0.221 222 D C 0.754 177.044 176.300 -0.017 0.000 0.986 222 D CA 0.683 54.697 54.000 0.023 0.000 0.899 222 D CB 0.090 40.895 40.800 0.008 0.000 0.902 222 D HN 0.521 nan 8.370 nan 0.000 0.530 223 E N -1.025 119.139 120.200 -0.059 0.000 2.476 223 E HA 0.089 4.439 4.350 0.001 0.000 0.199 223 E C -0.426 175.875 176.600 -0.500 0.000 1.021 223 E CA 0.014 56.260 56.400 -0.256 0.000 0.907 223 E CB 0.444 29.967 29.700 -0.296 0.000 0.974 223 E HN 0.298 nan 8.360 nan 0.000 0.489 224 Y N -0.031 120.289 120.300 0.034 0.000 2.602 224 Y HA 0.529 5.080 4.550 0.001 0.000 0.342 224 Y C 0.183 176.087 175.900 0.006 0.000 1.029 224 Y CA -0.992 57.130 58.100 0.037 0.000 1.080 224 Y CB 1.773 40.280 38.460 0.077 0.000 1.284 224 Y HN -0.252 nan 8.280 nan 0.000 0.485 225 E N 0.351 120.657 120.200 0.176 0.000 2.454 225 E HA 0.617 4.968 4.350 0.001 0.000 0.279 225 E C -1.786 174.853 176.600 0.064 0.000 1.029 225 E CA -0.922 55.526 56.400 0.080 0.000 0.831 225 E CB 2.809 32.524 29.700 0.024 0.000 1.405 225 E HN 0.414 nan 8.360 nan 0.000 0.463 226 L N 1.163 122.414 121.223 0.047 0.000 2.330 226 L HA 0.503 4.843 4.340 0.001 0.000 0.271 226 L C -0.929 175.978 176.870 0.061 0.000 1.013 226 L CA -1.049 53.826 54.840 0.058 0.000 0.816 226 L CB 1.117 43.230 42.059 0.090 0.000 1.287 226 L HN 0.257 nan 8.230 nan 0.000 0.435 227 L N 2.255 123.544 121.223 0.109 0.000 2.297 227 L HA 0.419 4.760 4.340 0.001 0.000 0.277 227 L C -0.350 176.742 176.870 0.370 0.000 1.040 227 L CA -0.275 54.672 54.840 0.177 0.000 0.867 227 L CB 0.283 42.434 42.059 0.154 0.000 1.244 227 L HN 0.651 nan 8.230 nan 0.000 0.433 228 c N 3.465 122.206 118.600 0.235 0.000 2.595 228 c HA 0.220 4.790 4.570 0.001 0.000 0.384 228 c C 2.093 176.261 174.090 0.131 0.000 1.289 228 c CA -0.846 55.610 56.329 0.211 0.000 2.372 228 c CB 0.427 43.002 42.510 0.109 0.000 2.593 228 c HN 0.816 nan 8.230 nan 0.000 0.639 229 L N 1.339 122.551 121.223 -0.020 0.000 2.395 229 L HA -0.042 4.298 4.340 0.001 0.000 0.218 229 L C 1.949 178.755 176.870 -0.106 0.000 1.130 229 L CA 1.080 55.795 54.840 -0.208 0.000 0.826 229 L CB -0.449 41.403 42.059 -0.346 0.000 0.941 229 L HN 0.814 nan 8.230 nan 0.000 0.451 230 D N -0.286 120.090 120.400 -0.039 0.000 2.328 230 D HA 0.020 4.660 4.640 0.001 0.000 0.221 230 D C 1.193 177.494 176.300 0.002 0.000 1.072 230 D CA 0.556 54.544 54.000 -0.020 0.000 0.850 230 D CB 0.170 40.964 40.800 -0.011 0.000 0.922 230 D HN 0.148 nan 8.370 nan 0.000 0.516 231 G N -0.326 108.485 108.800 0.017 0.000 2.256 231 G HA2 -0.188 3.772 3.960 0.001 0.000 0.272 231 G HA3 -0.188 3.772 3.960 0.001 0.000 0.272 231 G C -0.102 174.816 174.900 0.030 0.000 1.076 231 G CA 0.298 45.419 45.100 0.034 0.000 0.882 231 G HN 0.467 nan 8.290 nan 0.000 0.497 232 S N -1.521 114.198 115.700 0.032 0.000 2.685 232 S HA 0.832 5.302 4.470 0.001 0.000 0.282 232 S C -0.037 174.580 174.600 0.028 0.000 1.159 232 S CA -0.936 57.277 58.200 0.022 0.000 0.833 232 S CB 1.915 65.125 63.200 0.018 0.000 1.151 232 S HN 0.548 nan 8.310 nan 0.000 0.485 233 R N 0.726 121.233 120.500 0.012 0.000 2.637 233 R HA 0.658 4.999 4.340 0.001 0.000 0.291 233 R C -1.044 175.265 176.300 0.015 0.000 0.963 233 R CA -0.484 55.620 56.100 0.006 0.000 0.901 233 R CB 1.683 31.967 30.300 -0.027 0.000 1.160 233 R HN 0.534 nan 8.270 nan 0.000 0.457 234 Q N 1.872 121.688 119.800 0.027 0.000 2.423 234 Q HA 0.445 4.785 4.340 0.001 0.000 0.278 234 Q C -2.508 173.511 176.000 0.031 0.000 1.097 234 Q CA -2.274 53.543 55.803 0.024 0.000 0.809 234 Q CB 2.912 31.665 28.738 0.024 0.000 1.391 234 Q HN 0.313 nan 8.270 nan 0.000 0.428 235 P HA -0.084 nan 4.420 nan 0.000 0.269 235 P C 0.344 177.676 177.300 0.053 0.000 1.217 235 P CA -0.022 63.097 63.100 0.032 0.000 0.783 235 P CB 0.582 32.294 31.700 0.020 0.000 0.898 236 V N 0.960 120.910 119.914 0.059 0.000 2.392 236 V HA -0.227 3.894 4.120 0.001 0.000 0.249 236 V C 1.332 177.499 176.094 0.122 0.000 1.059 236 V CA 2.146 64.485 62.300 0.064 0.000 1.051 236 V CB -0.843 31.002 31.823 0.038 0.000 0.658 236 V HN 0.568 nan 8.190 nan 0.000 0.455 237 D N -0.911 119.558 120.400 0.115 0.000 2.349 237 D HA 0.030 4.671 4.640 0.001 0.000 0.215 237 D C 1.558 177.895 176.300 0.061 0.000 1.016 237 D CA 0.458 54.552 54.000 0.157 0.000 0.870 237 D CB 0.224 41.071 40.800 0.077 0.000 0.917 237 D HN 0.313 nan 8.370 nan 0.000 0.524 238 S N 0.403 116.118 115.700 0.026 0.000 2.582 238 S HA 0.029 4.499 4.470 0.001 0.000 0.249 238 S C 0.977 175.521 174.600 -0.094 0.000 1.072 238 S CA -0.556 57.598 58.200 -0.076 0.000 1.115 238 S CB -0.455 62.724 63.200 -0.035 0.000 0.790 238 S HN 0.396 nan 8.310 nan 0.000 0.459 239 Y N 0.287 120.525 120.300 -0.103 0.000 2.544 239 Y HA 0.334 4.885 4.550 0.000 0.000 0.286 239 Y C 1.592 177.315 175.900 -0.295 0.000 1.141 239 Y CA 0.316 58.333 58.100 -0.140 0.000 1.299 239 Y CB -0.234 38.155 38.460 -0.118 0.000 1.030 239 Y HN 0.040 nan 8.280 nan 0.000 0.543 240 K N 0.534 120.392 120.400 -0.903 0.000 2.155 240 K HA -0.034 4.286 4.320 0.001 0.000 0.203 240 K C 1.473 177.886 176.600 -0.311 0.000 1.052 240 K CA 1.566 57.389 56.287 -0.773 0.000 0.948 240 K CB -0.041 32.016 32.500 -0.739 0.000 0.728 240 K HN 0.524 nan 8.250 nan 0.000 0.448 241 T N -3.260 111.164 114.554 -0.217 0.000 3.134 241 T HA 0.140 4.491 4.350 0.001 0.000 0.260 241 T C 0.388 175.074 174.700 -0.024 0.000 1.027 241 T CA -0.533 61.513 62.100 -0.090 0.000 0.913 241 T CB -0.035 68.785 68.868 -0.080 0.000 1.046 241 T HN 0.104 nan 8.240 nan 0.000 0.553 242 c N 2.877 121.481 118.600 0.006 0.000 3.104 242 c HA 0.542 5.113 4.570 0.001 0.000 0.206 242 c C -0.432 173.780 174.090 0.204 0.000 1.429 242 c CA -0.864 55.526 56.329 0.101 0.000 1.105 242 c CB -1.904 40.658 42.510 0.086 0.000 1.904 242 c HN 0.846 nan 8.230 nan 0.000 0.626 243 N N -1.538 117.310 118.700 0.246 0.000 2.469 243 N HA 0.664 5.404 4.740 0.001 0.000 0.286 243 N C -0.119 175.671 175.510 0.466 0.000 1.275 243 N CA -0.769 52.508 53.050 0.378 0.000 0.790 243 N CB 0.776 39.490 38.487 0.380 0.000 1.446 243 N HN 0.151 nan 8.380 nan 0.000 0.501 244 W N -0.218 121.161 121.300 0.130 0.000 3.013 244 W HA 0.653 5.314 4.660 0.001 0.000 0.280 244 W C 0.123 176.669 176.519 0.046 0.000 1.249 244 W CA 0.559 57.953 57.345 0.082 0.000 1.577 244 W CB -0.121 29.386 29.460 0.077 0.000 1.057 244 W HN 0.874 nan 8.180 nan 0.000 0.613 245 A N -0.324 122.651 122.820 0.259 0.000 2.441 245 A HA 0.600 4.920 4.320 0.001 0.000 0.295 245 A C -1.439 176.140 177.584 -0.009 0.000 0.992 245 A CA -0.908 51.180 52.037 0.085 0.000 0.603 245 A CB 0.760 19.771 19.000 0.018 0.000 1.385 245 A HN -0.133 nan 8.150 nan 0.000 0.470 246 R N 0.530 120.916 120.500 -0.190 0.000 2.473 246 R HA 0.586 4.927 4.340 0.001 0.000 0.303 246 R C -1.096 174.940 176.300 -0.440 0.000 1.002 246 R CA -0.050 55.803 56.100 -0.413 0.000 0.884 246 R CB 1.300 31.329 30.300 -0.451 0.000 1.173 246 R HN 1.281 nan 8.270 nan 0.000 0.464 247 V N 0.243 119.794 119.914 -0.604 0.000 3.113 247 V HA 0.796 4.916 4.120 0.001 0.000 0.316 247 V C 0.168 175.943 176.094 -0.531 0.000 1.125 247 V CA -1.383 60.501 62.300 -0.693 0.000 1.026 247 V CB 1.750 33.011 31.823 -0.937 0.000 1.080 247 V HN 0.713 nan 8.190 nan 0.000 0.444 248 A N 1.463 124.093 122.820 -0.316 0.000 2.409 248 A HA 0.732 5.052 4.320 0.001 0.000 0.267 248 A C 0.876 178.596 177.584 0.227 0.000 1.127 248 A CA 0.246 52.236 52.037 -0.079 0.000 0.795 248 A CB -0.390 18.518 19.000 -0.154 0.000 1.061 248 A HN 2.174 nan 8.150 nan 0.000 0.502 249 A N 3.150 126.243 122.820 0.456 0.000 2.614 249 A HA 0.114 4.435 4.320 0.001 0.000 0.231 249 A C 0.592 178.664 177.584 0.813 0.000 1.076 249 A CA 0.308 52.859 52.037 0.856 0.000 0.767 249 A CB -0.408 18.968 19.000 0.628 0.000 1.012 249 A HN 0.903 nan 8.150 nan 0.000 0.512 250 H N -0.293 119.190 119.070 0.688 0.000 2.852 250 H HA 0.371 4.927 4.556 0.001 0.000 0.362 250 H C 0.498 176.076 175.328 0.417 0.000 1.122 250 H CA 1.050 57.394 56.048 0.493 0.000 1.419 250 H CB 0.685 30.712 29.762 0.440 0.000 1.401 250 H HN 0.919 nan 8.280 nan 0.000 0.609 251 A N 1.950 124.999 122.820 0.381 0.000 2.604 251 A HA 0.355 4.675 4.320 0.001 0.000 0.295 251 A C -0.969 176.724 177.584 0.182 0.000 1.067 251 A CA -0.710 51.467 52.037 0.233 0.000 0.683 251 A CB 1.056 19.997 19.000 -0.098 0.000 1.281 251 A HN 0.403 nan 8.150 nan 0.000 0.407 252 V N 1.932 121.979 119.914 0.221 0.000 2.455 252 V HA 0.441 4.561 4.120 0.001 0.000 0.273 252 V C 0.530 176.656 176.094 0.053 0.000 1.045 252 V CA -0.004 62.421 62.300 0.208 0.000 0.976 252 V CB 0.723 32.779 31.823 0.390 0.000 0.993 252 V HN 1.191 nan 8.190 nan 0.000 0.475 253 V N 2.508 122.417 119.914 -0.008 0.000 2.769 253 V HA 1.083 5.203 4.120 0.001 0.000 0.312 253 V C -0.106 175.950 176.094 -0.064 0.000 1.058 253 V CA -0.373 61.901 62.300 -0.044 0.000 0.952 253 V CB 1.538 33.336 31.823 -0.041 0.000 1.019 253 V HN 1.248 nan 8.190 nan 0.000 0.445 254 A N 3.089 125.882 122.820 -0.046 0.000 2.601 254 A HA 0.778 5.099 4.320 0.001 0.000 0.291 254 A C -0.450 177.120 177.584 -0.024 0.000 1.075 254 A CA -1.134 50.877 52.037 -0.043 0.000 0.671 254 A CB 1.289 20.281 19.000 -0.012 0.000 1.277 254 A HN 0.956 nan 8.150 nan 0.000 0.417 255 R N 0.509 120.998 120.500 -0.019 0.000 2.623 255 R HA 0.074 4.414 4.340 0.001 0.000 0.271 255 R C 0.793 177.092 176.300 -0.000 0.000 1.043 255 R CA 0.388 56.485 56.100 -0.004 0.000 1.083 255 R CB 0.426 30.725 30.300 -0.002 0.000 0.974 255 R HN 0.867 nan 8.270 nan 0.000 0.436 256 D N 1.929 122.329 120.400 -0.000 0.000 2.091 256 D HA -0.151 4.490 4.640 0.001 0.000 0.199 256 D C -0.336 175.965 176.300 0.001 0.000 0.980 256 D CA 1.026 55.023 54.000 -0.005 0.000 0.831 256 D CB 0.174 40.967 40.800 -0.011 0.000 0.987 256 D HN 0.536 nan 8.370 nan 0.000 0.460 257 D N 1.251 121.653 120.400 0.003 0.000 2.738 257 D HA 0.046 4.686 4.640 0.001 0.000 0.226 257 D C -0.060 176.245 176.300 0.009 0.000 1.070 257 D CA 0.363 54.366 54.000 0.005 0.000 1.153 257 D CB 0.269 41.072 40.800 0.005 0.000 1.141 257 D HN -0.012 nan 8.370 nan 0.000 0.459 258 S N -0.309 115.398 115.700 0.013 0.000 2.655 258 S HA 0.036 4.507 4.470 0.001 0.000 0.273 258 S C -0.739 173.879 174.600 0.029 0.000 1.177 258 S CA -1.034 57.177 58.200 0.019 0.000 0.918 258 S CB 0.721 63.929 63.200 0.014 0.000 1.217 258 S HN 0.394 nan 8.310 nan 0.000 0.492 259 K N 2.383 122.806 120.400 0.038 0.000 2.715 259 K HA 0.247 4.567 4.320 0.001 0.000 0.248 259 K C 0.996 177.644 176.600 0.080 0.000 1.276 259 K CA 0.246 56.567 56.287 0.057 0.000 1.209 259 K CB -1.159 31.374 32.500 0.054 0.000 1.509 259 K HN 0.622 nan 8.250 nan 0.000 0.261 260 I N -2.602 118.017 120.570 0.082 0.000 3.251 260 I HA -0.056 4.114 4.170 0.001 0.000 0.277 260 I C 0.688 176.906 176.117 0.169 0.000 1.268 260 I CA 0.374 61.739 61.300 0.108 0.000 1.449 260 I CB -0.011 38.028 38.000 0.065 0.000 1.083 260 I HN 0.230 nan 8.210 nan 0.000 0.464 261 D N 1.887 122.381 120.400 0.156 0.000 2.183 261 D HA -0.115 4.526 4.640 0.001 0.000 0.205 261 D C 1.323 177.747 176.300 0.206 0.000 0.962 261 D CA 1.066 55.179 54.000 0.188 0.000 0.849 261 D CB 0.084 40.963 40.800 0.132 0.000 0.978 261 D HN 0.448 nan 8.370 nan 0.000 0.488 262 D N 0.817 121.320 120.400 0.172 0.000 2.162 262 D HA -0.021 4.619 4.640 0.001 0.000 0.203 262 D C 2.344 178.781 176.300 0.230 0.000 0.967 262 D CA 0.326 54.428 54.000 0.170 0.000 0.840 262 D CB -0.031 40.845 40.800 0.126 0.000 0.972 262 D HN 0.266 nan 8.370 nan 0.000 0.482 263 I N 0.228 120.947 120.570 0.247 0.000 2.179 263 I HA -0.193 3.977 4.170 0.001 0.000 0.242 263 I C 2.549 178.909 176.117 0.405 0.000 1.088 263 I CA 0.902 62.401 61.300 0.332 0.000 1.357 263 I CB -0.270 37.907 38.000 0.295 0.000 1.051 263 I HN 0.137 nan 8.210 nan 0.000 0.409 264 W N 1.697 123.118 121.300 0.201 0.000 2.388 264 W HA -0.166 4.495 4.660 0.001 0.000 0.294 264 W C 2.461 179.078 176.519 0.164 0.000 1.212 264 W CA 1.430 58.878 57.345 0.173 0.000 1.271 264 W CB -0.054 29.478 29.460 0.120 0.000 1.126 264 W HN 0.097 nan 8.180 nan 0.000 0.535 265 S N 1.070 116.801 115.700 0.052 0.000 2.353 265 S HA -0.265 4.205 4.470 0.001 0.000 0.222 265 S C 1.515 176.076 174.600 -0.065 0.000 1.035 265 S CA 1.868 60.043 58.200 -0.041 0.000 1.025 265 S CB -1.222 62.022 63.200 0.073 0.000 0.902 265 S HN 0.373 nan 8.310 nan 0.000 0.440 266 F N 1.891 121.815 119.950 -0.044 0.000 2.063 266 F HA -0.204 4.324 4.527 0.001 0.000 0.298 266 F C 1.976 177.710 175.800 -0.110 0.000 1.109 266 F CA 1.363 59.340 58.000 -0.038 0.000 1.212 266 F CB -0.515 38.510 39.000 0.041 0.000 0.973 266 F HN 0.107 nan 8.300 nan 0.000 0.480 267 L N 0.709 121.894 121.223 -0.064 0.000 2.017 267 L HA -0.045 4.295 4.340 0.001 0.000 0.208 267 L C 2.734 179.301 176.870 -0.505 0.000 1.073 267 L CA 2.099 56.833 54.840 -0.177 0.000 0.745 267 L CB -1.729 40.420 42.059 0.150 0.000 0.894 267 L HN 0.312 nan 8.230 nan 0.000 0.432 268 G N -1.277 106.996 108.800 -0.878 0.000 2.480 268 G HA2 -0.314 3.647 3.960 0.001 0.000 0.216 268 G HA3 -0.314 3.647 3.960 0.001 0.000 0.216 268 G C 1.588 176.323 174.900 -0.275 0.000 1.200 268 G CA 0.988 45.585 45.100 -0.839 0.000 0.782 268 G HN 0.207 nan 8.290 nan 0.000 0.554 269 M N 1.157 120.632 119.600 -0.208 0.000 2.180 269 M HA -0.167 4.313 4.480 0.001 0.000 0.260 269 M C 2.819 178.939 176.300 -0.299 0.000 1.071 269 M CA 2.428 57.663 55.300 -0.107 0.000 1.096 269 M CB -1.190 31.272 32.600 -0.230 0.000 1.276 269 M HN 0.512 nan 8.290 nan 0.000 0.426 270 Q N 0.570 120.071 119.800 -0.498 0.000 2.065 270 Q HA -0.206 4.134 4.340 0.001 0.000 0.213 270 Q C 1.731 177.571 176.000 -0.267 0.000 1.012 270 Q CA 3.366 58.878 55.803 -0.485 0.000 0.876 270 Q CB -1.516 26.860 28.738 -0.604 0.000 0.954 270 Q HN 0.479 nan 8.270 nan 0.000 0.413 271 A N -0.562 122.150 122.820 -0.180 0.000 1.972 271 A HA -0.136 4.184 4.320 0.001 0.000 0.219 271 A C 2.072 179.684 177.584 0.046 0.000 1.169 271 A CA 1.540 53.562 52.037 -0.026 0.000 0.635 271 A CB -1.040 17.977 19.000 0.027 0.000 0.810 271 A HN 0.737 nan 8.150 nan 0.000 0.446 272 Y N 0.382 120.614 120.300 -0.114 0.000 2.337 272 Y HA 0.043 4.593 4.550 0.001 0.000 0.293 272 Y C 2.219 178.071 175.900 -0.080 0.000 1.123 272 Y CA 1.279 59.327 58.100 -0.088 0.000 1.201 272 Y CB -0.540 37.852 38.460 -0.112 0.000 1.011 272 Y HN 0.212 nan 8.280 nan 0.000 0.545 273 S N 0.174 115.683 115.700 -0.318 0.000 2.384 273 S HA 0.179 4.649 4.470 0.001 0.000 0.217 273 S C 1.258 175.755 174.600 -0.172 0.000 1.041 273 S CA 0.868 58.871 58.200 -0.329 0.000 0.948 273 S CB -0.174 62.774 63.200 -0.419 0.000 0.872 273 S HN 0.362 nan 8.310 nan 0.000 0.512 274 L N 1.884 123.022 121.223 -0.142 0.000 2.912 274 L HA 0.417 4.757 4.340 0.001 0.000 0.240 274 L C 1.058 177.846 176.870 -0.136 0.000 1.262 274 L CA -0.639 54.132 54.840 -0.114 0.000 1.058 274 L CB -0.348 41.736 42.059 0.042 0.000 1.383 274 L HN 0.183 nan 8.230 nan 0.000 0.512 275 G N 0.302 109.066 108.800 -0.060 0.000 2.489 275 G HA2 0.267 4.227 3.960 0.001 0.000 0.271 275 G HA3 0.267 4.227 3.960 0.001 0.000 0.271 275 G C 1.297 176.239 174.900 0.070 0.000 1.427 275 G CA 0.185 45.335 45.100 0.083 0.000 1.057 275 G HN -0.001 nan 8.290 nan 0.000 0.532 276 V N -1.627 118.368 119.914 0.135 0.000 2.282 276 V HA -0.096 4.024 4.120 0.001 0.000 0.249 276 V C 1.163 177.282 176.094 0.042 0.000 1.057 276 V CA 2.395 64.758 62.300 0.104 0.000 1.032 276 V CB -0.762 31.099 31.823 0.064 0.000 0.645 276 V HN 0.556 nan 8.190 nan 0.000 0.447 277 D N 0.747 121.151 120.400 0.006 0.000 2.493 277 D HA 0.342 4.982 4.640 0.001 0.000 0.235 277 D C 0.259 176.514 176.300 -0.074 0.000 1.117 277 D CA -0.104 53.887 54.000 -0.016 0.000 0.930 277 D CB 0.509 41.312 40.800 0.005 0.000 1.010 277 D HN 0.522 nan 8.370 nan 0.000 0.514 278 T N 0.986 115.424 114.554 -0.193 0.000 2.754 278 T HA 0.103 4.453 4.350 0.001 0.000 0.286 278 T C 1.165 175.786 174.700 -0.130 0.000 0.997 278 T CA -0.545 61.424 62.100 -0.219 0.000 0.982 278 T CB 1.249 69.871 68.868 -0.409 0.000 1.027 278 T HN 0.152 nan 8.240 nan 0.000 0.529 279 T N 0.495 114.994 114.554 -0.092 0.000 3.186 279 T HA 0.415 4.766 4.350 0.001 0.000 0.257 279 T C 0.768 175.456 174.700 -0.020 0.000 1.029 279 T CA 0.039 62.115 62.100 -0.040 0.000 0.916 279 T CB -0.335 68.517 68.868 -0.028 0.000 1.041 279 T HN 0.556 nan 8.240 nan 0.000 0.562 280 S N -0.485 115.197 115.700 -0.029 0.000 7.230 280 S HA 0.015 4.486 4.470 0.001 0.000 0.054 280 S C -0.006 174.645 174.600 0.086 0.000 1.493 280 S CA -0.212 58.006 58.200 0.029 0.000 1.010 280 S CB -0.364 62.863 63.200 0.045 0.000 1.130 280 S HN 0.279 nan 8.310 nan 0.000 0.543 281 D N -0.087 120.372 120.400 0.098 0.000 2.531 281 D HA 0.386 5.026 4.640 0.001 0.000 0.263 281 D C -0.202 176.223 176.300 0.208 0.000 1.057 281 D CA 0.121 54.231 54.000 0.183 0.000 0.909 281 D CB 0.312 41.206 40.800 0.157 0.000 1.236 281 D HN 0.209 nan 8.370 nan 0.000 0.494 282 F N 2.188 122.082 119.950 -0.093 0.000 2.444 282 F HA 0.249 4.776 4.527 0.000 0.000 0.360 282 F C -0.360 175.333 175.800 -0.178 0.000 1.106 282 F CA -0.239 57.600 58.000 -0.268 0.000 1.170 282 F CB 0.196 38.677 39.000 -0.865 0.000 1.113 282 F HN -0.122 nan 8.300 nan 0.000 0.521 283 H N 6.576 125.206 119.070 -0.734 0.000 2.476 283 H HA 0.250 4.807 4.556 0.001 0.000 0.328 283 H C 0.641 175.483 175.328 -0.811 0.000 1.073 283 H CA -0.709 55.017 56.048 -0.538 0.000 1.229 283 H CB 1.576 31.153 29.762 -0.308 0.000 1.432 283 H HN 0.552 nan 8.280 nan 0.000 0.477 284 L N 2.688 123.595 121.223 -0.527 0.000 2.240 284 L HA 0.153 4.493 4.340 0.001 0.000 0.211 284 L C -0.474 176.020 176.870 -0.626 0.000 1.106 284 L CA 1.095 55.535 54.840 -0.666 0.000 0.793 284 L CB -0.486 41.153 42.059 -0.699 0.000 0.927 284 L HN 0.463 nan 8.230 nan 0.000 0.446 285 F N -0.871 119.065 119.950 -0.023 0.000 2.659 285 F HA 0.669 5.196 4.527 0.001 0.000 0.342 285 F C 0.395 176.200 175.800 0.009 0.000 1.168 285 F CA -1.030 56.981 58.000 0.018 0.000 1.003 285 F CB 1.163 40.181 39.000 0.029 0.000 1.267 285 F HN -0.162 nan 8.300 nan 0.000 0.463 286 G N 3.682 112.540 108.800 0.098 0.000 2.417 286 G HA2 0.630 4.591 3.960 0.001 0.000 0.282 286 G HA3 0.630 4.591 3.960 0.001 0.000 0.282 286 G C -3.376 171.492 174.900 -0.053 0.000 1.388 286 G CA -1.301 43.802 45.100 0.005 0.000 1.276 286 G HN 0.302 nan 8.290 nan 0.000 0.602 287 P HA 0.372 nan 4.420 nan 0.000 0.181 287 P C -2.799 174.467 177.300 -0.057 0.000 1.874 287 P CA -1.182 61.890 63.100 -0.048 0.000 1.310 287 P CB 2.501 34.178 31.700 -0.038 0.000 1.629 288 P HA 0.274 nan 4.420 nan 0.000 0.301 288 P C 0.325 177.598 177.300 -0.045 0.000 1.309 288 P CA -0.309 62.759 63.100 -0.053 0.000 0.782 288 P CB 0.580 32.246 31.700 -0.057 0.000 1.282 289 G N 0.827 109.606 108.800 -0.036 0.000 2.193 289 G HA2 -0.150 3.810 3.960 0.001 0.000 0.275 289 G HA3 -0.150 3.810 3.960 0.001 0.000 0.275 289 G C 0.403 175.294 174.900 -0.016 0.000 0.882 289 G CA 0.170 45.255 45.100 -0.024 0.000 1.135 289 G HN 0.664 nan 8.290 nan 0.000 0.349 290 K N 1.653 122.046 120.400 -0.011 0.000 2.412 290 K HA -0.225 4.095 4.320 0.001 0.000 0.245 290 K C 0.856 177.456 176.600 -0.001 0.000 1.044 290 K CA 1.292 57.580 56.287 0.001 0.000 1.125 290 K CB 0.207 32.725 32.500 0.030 0.000 0.719 290 K HN 0.668 nan 8.250 nan 0.000 0.454 291 K N 2.022 122.420 120.400 -0.004 0.000 2.580 291 K HA 0.160 4.481 4.320 0.001 0.000 0.287 291 K C -0.506 176.100 176.600 0.010 0.000 1.005 291 K CA -0.559 55.725 56.287 -0.005 0.000 1.200 291 K CB 0.166 32.655 32.500 -0.017 0.000 1.568 291 K HN 0.630 nan 8.250 nan 0.000 0.685 292 D N 0.406 120.812 120.400 0.011 0.000 2.233 292 D HA 0.199 4.839 4.640 0.001 0.000 0.240 292 D C -2.118 174.200 176.300 0.029 0.000 1.074 292 D CA -2.397 51.616 54.000 0.022 0.000 0.838 292 D CB 1.423 42.234 40.800 0.017 0.000 1.124 292 D HN 0.005 nan 8.370 nan 0.000 0.475 293 P HA -0.257 nan 4.420 nan 0.000 0.219 293 P C 1.440 178.770 177.300 0.049 0.000 1.153 293 P CA 1.667 64.799 63.100 0.055 0.000 0.865 293 P CB -0.011 31.736 31.700 0.078 0.000 0.788 294 V N -4.377 115.562 119.914 0.043 0.000 2.913 294 V HA -0.118 4.002 4.120 0.001 0.000 0.260 294 V C 1.889 177.998 176.094 0.026 0.000 1.098 294 V CA 1.477 63.798 62.300 0.035 0.000 1.121 294 V CB -1.353 30.487 31.823 0.028 0.000 0.714 294 V HN 0.086 nan 8.190 nan 0.000 0.487 295 L N -0.532 120.703 121.223 0.020 0.000 2.375 295 L HA 0.199 4.539 4.340 0.001 0.000 0.215 295 L C 1.159 178.033 176.870 0.006 0.000 1.108 295 L CA 0.481 55.326 54.840 0.009 0.000 0.830 295 L CB -0.048 42.012 42.059 0.001 0.000 0.959 295 L HN 0.333 nan 8.230 nan 0.000 0.457 296 K N 0.805 121.214 120.400 0.016 0.000 2.174 296 K HA 0.145 4.465 4.320 0.001 0.000 0.275 296 K C -0.539 176.083 176.600 0.036 0.000 1.015 296 K CA -0.546 55.754 56.287 0.020 0.000 0.933 296 K CB 0.821 33.335 32.500 0.023 0.000 1.025 296 K HN -0.038 nan 8.250 nan 0.000 0.463 297 D N 1.131 121.556 120.400 0.042 0.000 2.775 297 D HA -0.141 4.500 4.640 0.001 0.000 0.235 297 D C -0.946 175.381 176.300 0.046 0.000 1.120 297 D CA 0.648 54.685 54.000 0.061 0.000 0.708 297 D CB -0.948 39.902 40.800 0.083 0.000 1.084 297 D HN 0.173 nan 8.370 nan 0.000 0.434 298 L N 0.400 121.636 121.223 0.022 0.000 2.276 298 L HA 0.396 4.736 4.340 0.001 0.000 0.286 298 L C 1.850 178.673 176.870 -0.078 0.000 1.061 298 L CA 0.050 54.884 54.840 -0.009 0.000 0.807 298 L CB 0.635 42.691 42.059 -0.005 0.000 1.177 298 L HN 0.325 nan 8.230 nan 0.000 0.429 299 L N 1.261 122.396 121.223 -0.147 0.000 3.467 299 L HA -0.341 3.999 4.340 0.001 0.000 0.185 299 L C -0.468 175.970 176.870 -0.721 0.000 4.356 299 L CA 1.389 55.955 54.840 -0.457 0.000 0.777 299 L CB -1.088 40.605 42.059 -0.609 0.000 3.491 299 L HN 0.376 nan 8.230 nan 0.000 0.841 300 F N 0.034 120.087 119.950 0.171 0.000 2.563 300 F HA 0.506 5.033 4.527 0.000 0.000 0.316 300 F C 0.432 176.342 175.800 0.183 0.000 1.076 300 F CA -1.052 57.090 58.000 0.237 0.000 0.921 300 F CB 1.175 40.393 39.000 0.362 0.000 1.209 300 F HN -0.168 nan 8.300 nan 0.000 0.462 301 K N 1.354 121.960 120.400 0.344 0.000 2.414 301 K HA 0.017 4.337 4.320 0.001 0.000 0.272 301 K C 0.091 176.828 176.600 0.229 0.000 0.993 301 K CA -0.073 56.317 56.287 0.172 0.000 0.964 301 K CB 0.587 33.107 32.500 0.033 0.000 0.925 301 K HN 0.541 nan 8.250 nan 0.000 0.487 302 D N 0.608 121.070 120.400 0.104 0.000 2.178 302 D HA -0.132 4.508 4.640 0.001 0.000 0.202 302 D C 1.692 178.031 176.300 0.065 0.000 0.974 302 D CA 1.464 55.517 54.000 0.088 0.000 0.841 302 D CB -0.113 40.698 40.800 0.017 0.000 0.953 302 D HN 0.541 nan 8.370 nan 0.000 0.478 303 S N 0.027 115.717 115.700 -0.017 0.000 2.522 303 S HA 0.167 4.637 4.470 0.001 0.000 0.227 303 S C 1.168 175.849 174.600 0.135 0.000 0.986 303 S CA 0.029 58.199 58.200 -0.050 0.000 0.929 303 S CB -0.170 62.855 63.200 -0.291 0.000 0.769 303 S HN 0.234 nan 8.310 nan 0.000 0.529 304 A N 2.213 125.147 122.820 0.191 0.000 2.492 304 A HA 0.541 4.861 4.320 0.001 0.000 0.254 304 A C 1.014 178.331 177.584 -0.445 0.000 1.091 304 A CA -0.414 51.597 52.037 -0.043 0.000 0.768 304 A CB -0.395 18.598 19.000 -0.012 0.000 1.028 304 A HN 0.754 nan 8.150 nan 0.000 0.498 305 I N -0.531 119.733 120.570 -0.510 0.000 4.070 305 I HA 0.587 4.757 4.170 0.001 0.000 0.328 305 I C 0.089 175.836 176.117 -0.617 0.000 1.298 305 I CA 0.032 61.050 61.300 -0.469 0.000 1.173 305 I CB 0.240 38.126 38.000 -0.189 0.000 1.051 305 I HN 0.540 nan 8.210 nan 0.000 0.409 306 M N 0.981 120.105 119.600 -0.794 0.000 2.956 306 M HA 0.540 5.021 4.480 0.001 0.000 0.272 306 M C -2.443 173.632 176.300 -0.375 0.000 1.132 306 M CA -0.351 54.671 55.300 -0.464 0.000 0.805 306 M CB 2.142 34.626 32.600 -0.194 0.000 1.639 306 M HN 0.056 nan 8.290 nan 0.000 0.520 307 L N 2.285 123.484 121.223 -0.040 0.000 2.376 307 L HA 0.580 4.920 4.340 0.001 0.000 0.275 307 L C -0.863 176.204 176.870 0.329 0.000 0.987 307 L CA -0.676 54.251 54.840 0.145 0.000 0.828 307 L CB 1.899 44.103 42.059 0.241 0.000 1.249 307 L HN 0.653 nan 8.230 nan 0.000 0.409 308 K N 4.544 125.073 120.400 0.215 0.000 2.253 308 K HA 0.335 4.655 4.320 0.001 0.000 0.277 308 K C -0.049 176.565 176.600 0.023 0.000 1.053 308 K CA -0.672 55.716 56.287 0.168 0.000 0.892 308 K CB 0.993 33.578 32.500 0.142 0.000 1.102 308 K HN 0.509 nan 8.250 nan 0.000 0.469 309 R N 2.929 123.159 120.500 -0.450 0.000 2.585 309 R HA 0.043 4.384 4.340 0.001 0.000 0.275 309 R C -0.824 175.292 176.300 -0.307 0.000 1.018 309 R CA -0.142 55.478 56.100 -0.799 0.000 1.072 309 R CB 0.599 30.054 30.300 -1.409 0.000 0.953 309 R HN 0.371 nan 8.270 nan 0.000 0.419 310 V N 7.751 127.428 119.914 -0.395 0.000 2.394 310 V HA 0.245 4.366 4.120 0.001 0.000 0.282 310 V C -1.953 173.892 176.094 -0.414 0.000 1.031 310 V CA -2.014 59.938 62.300 -0.581 0.000 0.881 310 V CB 1.542 33.031 31.823 -0.556 0.000 0.982 310 V HN 0.834 nan 8.190 nan 0.000 0.451 311 P HA 0.035 nan 4.420 nan 0.000 0.265 311 P C 0.916 178.103 177.300 -0.188 0.000 1.187 311 P CA 0.149 63.118 63.100 -0.219 0.000 0.766 311 P CB 0.606 32.215 31.700 -0.152 0.000 0.820 312 E N 1.035 121.158 120.200 -0.128 0.000 2.209 312 E HA -0.201 4.150 4.350 0.001 0.000 0.196 312 E C 1.514 178.067 176.600 -0.078 0.000 0.993 312 E CA 0.890 57.234 56.400 -0.094 0.000 0.819 312 E CB -0.147 29.516 29.700 -0.062 0.000 0.745 312 E HN 0.309 nan 8.360 nan 0.000 0.477 313 L N 0.452 121.631 121.223 -0.073 0.000 2.201 313 L HA -0.043 4.298 4.340 0.001 0.000 0.212 313 L C 1.078 177.911 176.870 -0.061 0.000 1.105 313 L CA 0.705 55.510 54.840 -0.059 0.000 0.775 313 L CB -0.176 41.856 42.059 -0.045 0.000 0.913 313 L HN 0.113 nan 8.230 nan 0.000 0.440 314 M N 0.359 119.911 119.600 -0.080 0.000 2.250 314 M HA 0.079 4.560 4.480 0.001 0.000 0.337 314 M C -0.131 176.143 176.300 -0.043 0.000 1.161 314 M CA 0.325 55.588 55.300 -0.061 0.000 1.088 314 M CB 0.061 32.595 32.600 -0.110 0.000 1.639 314 M HN 0.333 nan 8.290 nan 0.000 0.447 315 D N 1.297 121.691 120.400 -0.010 0.000 2.687 315 D HA 0.459 5.100 4.640 0.001 0.000 0.264 315 D C 0.264 176.599 176.300 0.058 0.000 1.091 315 D CA -0.253 53.741 54.000 -0.010 0.000 1.123 315 D CB 0.107 40.883 40.800 -0.039 0.000 1.407 315 D HN 0.529 nan 8.370 nan 0.000 0.591 316 S N -0.905 114.828 115.700 0.055 0.000 2.371 316 S HA -0.217 4.254 4.470 0.001 0.000 0.224 316 S C 1.809 176.521 174.600 0.186 0.000 1.029 316 S CA 1.198 59.495 58.200 0.162 0.000 0.978 316 S CB -0.557 62.717 63.200 0.124 0.000 0.833 316 S HN 0.624 nan 8.310 nan 0.000 0.466 317 Q N 1.166 120.941 119.800 -0.042 0.000 2.045 317 Q HA -0.103 4.238 4.340 0.001 0.000 0.206 317 Q C 2.157 178.062 176.000 -0.159 0.000 0.991 317 Q CA 1.620 57.180 55.803 -0.406 0.000 0.851 317 Q CB -0.359 27.943 28.738 -0.727 0.000 0.911 317 Q HN 0.556 nan 8.270 nan 0.000 0.418 318 L N -0.550 120.639 121.223 -0.058 0.000 2.083 318 L HA -0.200 4.140 4.340 0.001 0.000 0.209 318 L C 2.360 179.280 176.870 0.083 0.000 1.083 318 L CA 1.230 56.077 54.840 0.011 0.000 0.752 318 L CB -0.475 41.585 42.059 0.003 0.000 0.899 318 L HN 0.384 nan 8.230 nan 0.000 0.433 319 Y N 0.563 120.896 120.300 0.055 0.000 2.114 319 Y HA -0.247 4.304 4.550 0.000 0.000 0.284 319 Y C 2.282 178.295 175.900 0.187 0.000 1.143 319 Y CA 1.670 59.840 58.100 0.115 0.000 1.135 319 Y CB -0.116 38.399 38.460 0.093 0.000 0.980 319 Y HN 0.004 nan 8.280 nan 0.000 0.499 320 L N -0.438 120.916 121.223 0.219 0.000 2.291 320 L HA 0.149 4.489 4.340 0.001 0.000 0.214 320 L C 1.282 178.283 176.870 0.219 0.000 1.120 320 L CA 0.571 55.578 54.840 0.278 0.000 0.799 320 L CB -0.932 41.423 42.059 0.493 0.000 0.925 320 L HN 0.502 nan 8.230 nan 0.000 0.446 321 G N -0.809 108.088 108.800 0.163 0.000 2.549 321 G HA2 -0.299 3.661 3.960 0.001 0.000 0.404 321 G HA3 -0.299 3.661 3.960 0.001 0.000 0.404 321 G C -0.285 174.740 174.900 0.209 0.000 1.292 321 G CA -0.046 45.144 45.100 0.151 0.000 0.935 321 G HN -0.013 nan 8.290 nan 0.000 0.512 322 F N 0.170 120.175 119.950 0.093 0.000 2.343 322 F HA 0.343 4.870 4.527 0.000 0.000 0.286 322 F C 2.425 178.307 175.800 0.136 0.000 1.057 322 F CA 1.885 59.943 58.000 0.097 0.000 1.365 322 F CB -0.075 38.947 39.000 0.037 0.000 1.114 322 F HN 0.606 nan 8.300 nan 0.000 0.545 323 E N -0.477 119.655 120.200 -0.113 0.000 2.038 323 E HA -0.284 4.067 4.350 0.001 0.000 0.195 323 E C 2.028 178.600 176.600 -0.046 0.000 1.000 323 E CA 1.902 58.223 56.400 -0.132 0.000 0.803 323 E CB -0.612 29.121 29.700 0.055 0.000 0.750 323 E HN 0.549 nan 8.360 nan 0.000 0.448 324 Y N -0.083 120.184 120.300 -0.054 0.000 2.263 324 Y HA -0.229 4.321 4.550 0.001 0.000 0.292 324 Y C 2.034 177.926 175.900 -0.013 0.000 1.130 324 Y CA 1.189 59.267 58.100 -0.037 0.000 1.179 324 Y CB -0.450 37.998 38.460 -0.021 0.000 0.998 324 Y HN 0.097 nan 8.280 nan 0.000 0.532 325 Y N 0.668 120.892 120.300 -0.127 0.000 2.097 325 Y HA -0.298 4.252 4.550 0.000 0.000 0.282 325 Y C 2.930 178.733 175.900 -0.161 0.000 1.152 325 Y CA 2.500 60.539 58.100 -0.101 0.000 1.136 325 Y CB -0.760 37.716 38.460 0.027 0.000 0.975 325 Y HN 0.249 nan 8.280 nan 0.000 0.498 326 S N -0.110 115.502 115.700 -0.147 0.000 2.402 326 S HA -0.162 4.308 4.470 0.001 0.000 0.229 326 S C 2.153 176.633 174.600 -0.200 0.000 1.021 326 S CA 0.867 58.944 58.200 -0.205 0.000 0.974 326 S CB -0.925 62.041 63.200 -0.391 0.000 0.800 326 S HN 0.487 nan 8.310 nan 0.000 0.484 327 A N 1.764 124.463 122.820 -0.202 0.000 1.929 327 A HA 0.186 4.506 4.320 0.001 0.000 0.216 327 A C 2.164 179.572 177.584 -0.293 0.000 1.176 327 A CA 1.114 53.064 52.037 -0.146 0.000 0.628 327 A CB -0.712 18.254 19.000 -0.056 0.000 0.816 327 A HN 0.570 nan 8.150 nan 0.000 0.444 328 I N -0.532 119.716 120.570 -0.536 0.000 2.090 328 I HA -0.309 3.861 4.170 0.001 0.000 0.236 328 I C 2.744 178.523 176.117 -0.564 0.000 1.064 328 I CA 1.387 62.244 61.300 -0.738 0.000 1.324 328 I CB -0.485 36.746 38.000 -1.281 0.000 1.044 328 I HN 0.347 nan 8.210 nan 0.000 0.399 329 Q N 0.564 120.072 119.800 -0.486 0.000 2.103 329 Q HA -0.274 4.067 4.340 0.001 0.000 0.213 329 Q C 2.388 178.341 176.000 -0.078 0.000 1.008 329 Q CA 2.376 58.047 55.803 -0.219 0.000 0.879 329 Q CB -0.733 27.921 28.738 -0.141 0.000 0.946 329 Q HN 0.491 nan 8.270 nan 0.000 0.413 330 S N 1.083 116.756 115.700 -0.044 0.000 2.380 330 S HA -0.221 4.250 4.470 0.001 0.000 0.229 330 S C 2.049 176.777 174.600 0.213 0.000 1.050 330 S CA 2.045 60.294 58.200 0.081 0.000 1.100 330 S CB -0.402 62.868 63.200 0.117 0.000 0.984 330 S HN 0.468 nan 8.310 nan 0.000 0.434 331 L N -0.019 121.239 121.223 0.059 0.000 2.253 331 L HA 0.363 4.704 4.340 0.001 0.000 0.205 331 L C 2.079 178.909 176.870 -0.066 0.000 1.078 331 L CA 1.193 55.978 54.840 -0.091 0.000 0.805 331 L CB -0.827 41.001 42.059 -0.384 0.000 0.963 331 L HN -0.034 nan 8.230 nan 0.000 0.459 332 R N 0.956 121.392 120.500 -0.107 0.000 2.092 332 R HA 0.022 4.362 4.340 0.001 0.000 0.231 332 R C 0.355 176.677 176.300 0.037 0.000 1.119 332 R CA 1.172 57.217 56.100 -0.092 0.000 0.970 332 R CB 0.063 30.202 30.300 -0.268 0.000 0.864 332 R HN 0.510 nan 8.270 nan 0.000 0.440 333 K N -0.508 119.939 120.400 0.079 0.000 2.279 333 K HA 0.162 4.482 4.320 0.001 0.000 0.238 333 K C -0.692 176.004 176.600 0.160 0.000 1.084 333 K CA -0.913 55.441 56.287 0.113 0.000 0.885 333 K CB 0.578 33.131 32.500 0.088 0.000 1.319 333 K HN -0.163 nan 8.250 nan 0.000 0.494 334 D N 1.858 122.322 120.400 0.106 0.000 2.622 334 D HA -0.168 4.473 4.640 0.001 0.000 0.222 334 D C -0.517 175.796 176.300 0.022 0.000 1.226 334 D CA 0.989 55.017 54.000 0.048 0.000 0.874 334 D CB 0.447 41.259 40.800 0.021 0.000 1.236 334 D HN 0.277 nan 8.370 nan 0.000 0.531 335 Q N 1.007 120.744 119.800 -0.106 0.000 2.262 335 Q HA 0.245 4.585 4.340 0.001 0.000 0.272 335 Q C -0.710 175.252 176.000 -0.064 0.000 1.076 335 Q CA 0.277 55.984 55.803 -0.160 0.000 0.905 335 Q CB 0.445 29.022 28.738 -0.269 0.000 1.182 335 Q HN 0.383 nan 8.270 nan 0.000 0.390 336 L N 4.187 125.396 121.223 -0.023 0.000 2.581 336 L HA 0.266 4.606 4.340 0.001 0.000 0.241 336 L C 0.159 177.020 176.870 -0.016 0.000 1.265 336 L CA -0.375 54.461 54.840 -0.007 0.000 0.954 336 L CB 0.868 42.938 42.059 0.019 0.000 1.269 336 L HN 0.922 nan 8.230 nan 0.000 0.475 337 T N -2.548 111.985 114.554 -0.034 0.000 3.258 337 T HA 0.293 4.644 4.350 0.001 0.000 0.263 337 T C 0.534 175.210 174.700 -0.040 0.000 0.983 337 T CA -0.043 62.031 62.100 -0.044 0.000 0.907 337 T CB 0.044 68.874 68.868 -0.064 0.000 1.096 337 T HN 0.216 nan 8.240 nan 0.000 0.556 338 V N -3.852 116.044 119.914 -0.029 0.000 5.662 338 V HA 0.545 4.666 4.120 0.001 0.000 0.933 338 V C 0.295 176.380 176.094 -0.015 0.000 2.610 338 V CA -0.418 61.867 62.300 -0.025 0.000 4.575 338 V CB -0.487 31.321 31.823 -0.026 0.000 0.623 338 V HN 0.420 nan 8.190 nan 0.000 0.666 339 G N 1.297 110.092 108.800 -0.008 0.000 4.904 339 G HA2 0.614 4.574 3.960 0.001 0.000 0.265 339 G HA3 0.614 4.574 3.960 0.001 0.000 0.265 339 G C -1.293 173.617 174.900 0.016 0.000 1.227 339 G CA -0.365 44.737 45.100 0.003 0.000 0.926 339 G HN 0.471 nan 8.290 nan 0.000 0.581 340 P HA 0.072 nan 4.420 nan 0.000 0.224 340 P C 1.547 178.873 177.300 0.044 0.000 1.157 340 P CA 0.606 63.728 63.100 0.036 0.000 0.799 340 P CB 0.398 32.109 31.700 0.019 0.000 0.809 341 R N -0.899 119.614 120.500 0.022 0.000 2.541 341 R HA 0.157 4.498 4.340 0.001 0.000 0.332 341 R C -0.055 176.247 176.300 0.005 0.000 0.951 341 R CA -0.170 55.938 56.100 0.013 0.000 1.136 341 R CB -1.367 28.937 30.300 0.006 0.000 1.449 341 R HN 0.030 nan 8.270 nan 0.000 0.531 342 E N 2.092 122.296 120.200 0.006 0.000 1.325 342 E HA -0.321 4.030 4.350 0.001 0.000 0.182 342 E C -1.158 175.439 176.600 -0.005 0.000 0.989 342 E CA 0.911 57.312 56.400 0.001 0.000 0.491 342 E CB -1.583 28.119 29.700 0.003 0.000 1.032 342 E HN 0.613 nan 8.360 nan 0.000 0.254 343 N N 2.957 121.654 118.700 -0.006 0.000 2.607 343 N HA -0.128 4.612 4.740 0.001 0.000 0.306 343 N C -0.613 174.890 175.510 -0.012 0.000 1.163 343 N CA 0.687 53.733 53.050 -0.006 0.000 1.161 343 N CB -0.038 38.447 38.487 -0.003 0.000 1.399 343 N HN 0.453 nan 8.380 nan 0.000 0.525 344 K N 0.700 121.089 120.400 -0.018 0.000 2.578 344 K HA 0.379 4.700 4.320 0.001 0.000 0.269 344 K C -1.341 175.242 176.600 -0.028 0.000 0.941 344 K CA -0.752 55.517 56.287 -0.030 0.000 0.847 344 K CB 1.922 34.402 32.500 -0.034 0.000 1.397 344 K HN -0.007 nan 8.250 nan 0.000 0.422 345 I N 2.475 123.028 120.570 -0.028 0.000 2.493 345 I HA 0.232 4.402 4.170 0.001 0.000 0.298 345 I C -0.492 175.609 176.117 -0.026 0.000 0.998 345 I CA -0.688 60.598 61.300 -0.023 0.000 1.137 345 I CB 1.961 39.966 38.000 0.008 0.000 1.310 345 I HN 0.480 nan 8.210 nan 0.000 0.445 346 Q N 5.734 125.512 119.800 -0.036 0.000 2.398 346 Q HA 0.168 4.508 4.340 0.001 0.000 0.251 346 Q C -0.523 175.455 176.000 -0.035 0.000 0.999 346 Q CA -0.236 55.550 55.803 -0.029 0.000 0.874 346 Q CB 1.588 30.297 28.738 -0.050 0.000 1.215 346 Q HN 0.512 nan 8.270 nan 0.000 0.470 347 W N 3.075 124.307 121.300 -0.114 0.000 2.238 347 W HA 0.149 4.810 4.660 0.001 0.000 0.321 347 W C -0.516 175.972 176.519 -0.052 0.000 1.293 347 W CA -0.670 56.626 57.345 -0.081 0.000 1.204 347 W CB 1.262 30.669 29.460 -0.087 0.000 1.167 347 W HN 0.494 nan 8.180 nan 0.000 0.553 348 c N 6.364 124.749 118.600 -0.359 0.000 2.265 348 c HA 0.691 5.262 4.570 0.001 0.000 0.332 348 c C 0.277 174.403 174.090 0.060 0.000 1.248 348 c CA -0.300 55.947 56.329 -0.137 0.000 1.727 348 c CB -0.983 41.401 42.510 -0.210 0.000 2.348 348 c HN 0.572 nan 8.230 nan 0.000 0.519 349 A N 5.761 128.661 122.820 0.134 0.000 2.273 349 A HA 0.611 4.931 4.320 0.001 0.000 0.315 349 A C -0.458 177.140 177.584 0.023 0.000 1.256 349 A CA -0.311 51.813 52.037 0.145 0.000 0.851 349 A CB 0.715 19.811 19.000 0.161 0.000 1.172 349 A HN 0.770 nan 8.150 nan 0.000 0.508 350 V N 3.634 123.539 119.914 -0.016 0.000 2.370 350 V HA 0.524 4.645 4.120 0.001 0.000 0.257 350 V C 1.138 177.147 176.094 -0.142 0.000 1.064 350 V CA 1.178 63.414 62.300 -0.107 0.000 0.975 350 V CB -0.647 31.094 31.823 -0.137 0.000 1.067 350 V HN 1.834 nan 8.190 nan 0.000 0.485 351 G N 5.750 114.430 108.800 -0.200 0.000 2.782 351 G HA2 -0.183 3.777 3.960 0.001 0.000 0.228 351 G HA3 -0.183 3.777 3.960 0.001 0.000 0.228 351 G C 0.442 175.357 174.900 0.024 0.000 1.372 351 G CA -0.204 44.704 45.100 -0.319 0.000 0.862 351 G HN 0.508 nan 8.290 nan 0.000 0.547 352 K N 0.108 120.745 120.400 0.394 0.000 2.288 352 K HA -0.000 4.320 4.320 0.001 0.000 0.201 352 K C 1.932 178.629 176.600 0.163 0.000 1.048 352 K CA 1.607 58.054 56.287 0.267 0.000 0.956 352 K CB -0.238 32.391 32.500 0.215 0.000 0.746 352 K HN 0.561 nan 8.250 nan 0.000 0.461 353 D N 1.039 121.541 120.400 0.170 0.000 2.149 353 D HA -0.098 4.542 4.640 0.001 0.000 0.201 353 D C 1.546 177.905 176.300 0.099 0.000 0.972 353 D CA 0.875 54.937 54.000 0.104 0.000 0.835 353 D CB 0.178 41.038 40.800 0.101 0.000 0.966 353 D HN 0.390 nan 8.370 nan 0.000 0.476 354 E N 0.590 120.854 120.200 0.107 0.000 2.216 354 E HA -0.112 4.238 4.350 0.001 0.000 0.192 354 E C 1.833 178.496 176.600 0.106 0.000 0.988 354 E CA 0.429 56.894 56.400 0.108 0.000 0.834 354 E CB 0.203 29.971 29.700 0.113 0.000 0.772 354 E HN -0.033 nan 8.360 nan 0.000 0.479 355 K N 1.363 121.816 120.400 0.089 0.000 2.002 355 K HA -0.073 4.247 4.320 0.001 0.000 0.209 355 K C 2.190 178.822 176.600 0.053 0.000 1.048 355 K CA 1.556 57.886 56.287 0.072 0.000 0.930 355 K CB -0.489 32.044 32.500 0.056 0.000 0.714 355 K HN -0.116 nan 8.250 nan 0.000 0.438 356 S N 0.439 116.167 115.700 0.046 0.000 2.370 356 S HA -0.157 4.314 4.470 0.001 0.000 0.226 356 S C 1.877 176.490 174.600 0.021 0.000 1.033 356 S CA 1.691 59.906 58.200 0.025 0.000 1.011 356 S CB -0.294 62.921 63.200 0.025 0.000 0.852 356 S HN 0.410 nan 8.310 nan 0.000 0.457 357 K N 0.455 120.888 120.400 0.056 0.000 2.025 357 K HA -0.119 4.201 4.320 0.001 0.000 0.207 357 K C 2.517 179.147 176.600 0.050 0.000 1.049 357 K CA 1.474 57.809 56.287 0.080 0.000 0.933 357 K CB -0.604 31.973 32.500 0.129 0.000 0.714 357 K HN 0.386 nan 8.250 nan 0.000 0.438 358 c N 1.695 120.351 118.600 0.093 0.000 2.393 358 c HA -0.168 4.402 4.570 0.001 0.000 0.276 358 c C 2.108 176.209 174.090 0.018 0.000 1.215 358 c CA 1.687 58.093 56.329 0.128 0.000 1.743 358 c CB -1.074 41.522 42.510 0.142 0.000 2.044 358 c HN 0.602 nan 8.230 nan 0.000 0.464 359 D N -0.119 120.267 120.400 -0.023 0.000 2.158 359 D HA -0.137 4.503 4.640 0.001 0.000 0.197 359 D C 2.427 178.642 176.300 -0.142 0.000 0.995 359 D CA 0.953 54.913 54.000 -0.066 0.000 0.846 359 D CB -0.534 40.241 40.800 -0.042 0.000 0.941 359 D HN 0.440 nan 8.370 nan 0.000 0.456 360 R N -0.135 120.238 120.500 -0.212 0.000 2.066 360 R HA -0.128 4.212 4.340 0.001 0.000 0.232 360 R C 2.094 177.997 176.300 -0.662 0.000 1.131 360 R CA 0.830 56.697 56.100 -0.388 0.000 0.955 360 R CB -1.022 29.035 30.300 -0.405 0.000 0.851 360 R HN 0.289 nan 8.270 nan 0.000 0.432 361 W N 1.277 121.977 121.300 -0.999 0.000 2.335 361 W HA -0.118 4.541 4.660 -0.001 0.000 0.311 361 W C 2.367 178.561 176.519 -0.542 0.000 1.213 361 W CA 1.611 58.363 57.345 -0.989 0.000 1.274 361 W CB -1.047 28.057 29.460 -0.593 0.000 1.148 361 W HN 0.074 nan 8.180 nan 0.000 0.498 362 S N -0.215 115.353 115.700 -0.221 0.000 2.365 362 S HA -0.230 4.240 4.470 0.001 0.000 0.221 362 S C 2.048 176.543 174.600 -0.175 0.000 1.037 362 S CA 2.448 60.516 58.200 -0.220 0.000 1.060 362 S CB -0.995 62.111 63.200 -0.156 0.000 0.974 362 S HN 0.022 nan 8.310 nan 0.000 0.427 363 V N 1.156 120.970 119.914 -0.166 0.000 2.222 363 V HA -0.219 3.901 4.120 0.001 0.000 0.252 363 V C 2.401 178.430 176.094 -0.109 0.000 1.060 363 V CA 2.341 64.565 62.300 -0.128 0.000 1.027 363 V CB -0.956 30.790 31.823 -0.129 0.000 0.644 363 V HN 0.495 nan 8.190 nan 0.000 0.448 364 V N 0.568 120.370 119.914 -0.187 0.000 2.392 364 V HA -0.224 3.896 4.120 0.001 0.000 0.249 364 V C 2.585 178.702 176.094 0.039 0.000 1.059 364 V CA 2.641 64.858 62.300 -0.140 0.000 1.051 364 V CB -0.220 31.358 31.823 -0.409 0.000 0.658 364 V HN 0.849 nan 8.190 nan 0.000 0.455 365 S N -1.011 114.689 115.700 0.000 0.000 2.496 365 S HA -0.004 4.466 4.470 0.001 0.000 0.224 365 S C 0.807 175.471 174.600 0.107 0.000 0.996 365 S CA 0.737 59.047 58.200 0.183 0.000 0.927 365 S CB -0.439 62.806 63.200 0.075 0.000 0.774 365 S HN 0.779 nan 8.310 nan 0.000 0.524 366 N N 0.436 119.156 118.700 0.035 0.000 2.920 366 N HA -0.059 4.682 4.740 0.001 0.000 0.247 366 N C 0.339 175.840 175.510 -0.015 0.000 1.123 366 N CA 0.355 53.414 53.050 0.015 0.000 0.711 366 N CB -1.641 36.866 38.487 0.034 0.000 1.065 366 N HN 0.887 nan 8.380 nan 0.000 0.554 367 G N -0.624 108.147 108.800 -0.050 0.000 2.272 367 G HA2 -0.331 3.629 3.960 0.001 0.000 0.280 367 G HA3 -0.331 3.629 3.960 0.001 0.000 0.280 367 G C 0.701 175.558 174.900 -0.072 0.000 1.067 367 G CA 0.459 45.516 45.100 -0.072 0.000 0.902 367 G HN 0.420 nan 8.290 nan 0.000 0.500 368 E N -1.226 118.927 120.200 -0.079 0.000 2.122 368 E HA 0.093 4.443 4.350 0.001 0.000 0.190 368 E C 1.592 178.111 176.600 -0.135 0.000 0.977 368 E CA 0.984 57.344 56.400 -0.066 0.000 0.820 368 E CB 0.320 30.010 29.700 -0.016 0.000 0.770 368 E HN 0.765 nan 8.360 nan 0.000 0.462 369 V N 1.008 120.760 119.914 -0.269 0.000 2.483 369 V HA 0.311 4.431 4.120 0.001 0.000 0.295 369 V C -0.717 175.215 176.094 -0.270 0.000 1.035 369 V CA -0.487 61.581 62.300 -0.386 0.000 0.896 369 V CB 1.708 32.978 31.823 -0.920 0.000 0.986 369 V HN -0.025 nan 8.190 nan 0.000 0.447 370 E N 4.199 124.303 120.200 -0.160 0.000 2.359 370 E HA 0.650 5.000 4.350 0.001 0.000 0.266 370 E C -1.598 174.985 176.600 -0.029 0.000 0.920 370 E CA -0.694 55.653 56.400 -0.089 0.000 0.788 370 E CB 2.268 31.935 29.700 -0.055 0.000 1.279 370 E HN 0.793 nan 8.360 nan 0.000 0.438 371 c N 0.965 119.560 118.600 -0.008 0.000 2.498 371 c HA 0.614 5.185 4.570 0.001 0.000 0.316 371 c C 0.124 174.230 174.090 0.026 0.000 1.209 371 c CA -0.611 55.743 56.329 0.042 0.000 1.518 371 c CB 1.439 43.976 42.510 0.045 0.000 2.147 371 c HN 0.609 nan 8.230 nan 0.000 0.483 372 T N 2.047 116.625 114.554 0.040 0.000 2.940 372 T HA 0.724 5.074 4.350 0.001 0.000 0.288 372 T C -0.948 173.764 174.700 0.019 0.000 1.033 372 T CA -0.171 61.934 62.100 0.009 0.000 1.033 372 T CB 1.223 70.077 68.868 -0.024 0.000 1.079 372 T HN 0.538 nan 8.240 nan 0.000 0.496 373 I N 2.509 123.077 120.570 -0.004 0.000 2.582 373 I HA 0.724 4.895 4.170 0.001 0.000 0.292 373 I C -1.662 174.431 176.117 -0.040 0.000 1.066 373 I CA -0.695 60.599 61.300 -0.010 0.000 1.053 373 I CB 1.304 39.302 38.000 -0.003 0.000 1.241 373 I HN 0.576 nan 8.210 nan 0.000 0.421 374 L N 5.288 126.473 121.223 -0.063 0.000 2.491 374 L HA 0.520 4.860 4.340 0.001 0.000 0.254 374 L C -0.294 176.497 176.870 -0.132 0.000 1.048 374 L CA -0.545 54.241 54.840 -0.090 0.000 0.855 374 L CB 2.039 44.041 42.059 -0.094 0.000 1.466 374 L HN 0.434 nan 8.230 nan 0.000 0.409 375 D N -0.819 119.493 120.400 -0.147 0.000 2.360 375 D HA 0.164 4.804 4.640 0.001 0.000 0.210 375 D C -0.466 175.699 176.300 -0.225 0.000 1.047 375 D CA 0.543 54.422 54.000 -0.201 0.000 0.854 375 D CB 0.455 41.159 40.800 -0.160 0.000 0.936 375 D HN 0.311 nan 8.370 nan 0.000 0.514 376 D N -1.016 119.266 120.400 -0.197 0.000 2.610 376 D HA 0.209 4.850 4.640 0.001 0.000 0.271 376 D C 0.657 176.821 176.300 -0.227 0.000 1.174 376 D CA -0.580 53.295 54.000 -0.208 0.000 0.949 376 D CB 1.533 42.244 40.800 -0.147 0.000 1.430 376 D HN -0.234 nan 8.370 nan 0.000 0.467 377 N N 0.282 118.798 118.700 -0.307 0.000 2.207 377 N HA -0.108 4.632 4.740 0.001 0.000 0.182 377 N C 1.334 176.694 175.510 -0.249 0.000 1.020 377 N CA 0.639 53.446 53.050 -0.405 0.000 0.858 377 N CB 0.412 38.340 38.487 -0.932 0.000 0.991 377 N HN 0.161 nan 8.380 nan 0.000 0.427 378 K N 1.667 121.970 120.400 -0.162 0.000 2.000 378 K HA -0.182 4.138 4.320 0.001 0.000 0.218 378 K C 1.372 177.941 176.600 -0.051 0.000 1.053 378 K CA 1.721 57.998 56.287 -0.017 0.000 0.946 378 K CB -0.251 32.256 32.500 0.012 0.000 0.723 378 K HN 0.004 nan 8.250 nan 0.000 0.446 379 D N -0.673 119.680 120.400 -0.078 0.000 2.190 379 D HA -0.165 4.475 4.640 0.001 0.000 0.200 379 D C 1.807 178.051 176.300 -0.093 0.000 0.992 379 D CA 0.984 54.935 54.000 -0.082 0.000 0.854 379 D CB -0.300 40.446 40.800 -0.090 0.000 0.936 379 D HN 0.278 nan 8.370 nan 0.000 0.462 380 c N -0.369 118.163 118.600 -0.113 0.000 2.485 380 c HA 0.121 4.692 4.570 0.001 0.000 0.278 380 c C 2.655 176.672 174.090 -0.123 0.000 1.356 380 c CA -0.265 55.988 56.329 -0.125 0.000 1.747 380 c CB -0.703 41.718 42.510 -0.148 0.000 2.001 380 c HN 0.315 nan 8.230 nan 0.000 0.501 381 I N -0.009 120.502 120.570 -0.098 0.000 2.439 381 I HA -0.117 4.053 4.170 0.001 0.000 0.251 381 I C 2.340 178.410 176.117 -0.078 0.000 1.139 381 I CA 1.086 62.340 61.300 -0.077 0.000 1.438 381 I CB -0.334 37.654 38.000 -0.020 0.000 1.085 381 I HN 0.098 nan 8.210 nan 0.000 0.427 382 V N 0.770 120.642 119.914 -0.070 0.000 2.244 382 V HA -0.281 3.840 4.120 0.001 0.000 0.244 382 V C 2.483 178.529 176.094 -0.080 0.000 1.042 382 V CA 1.738 63.997 62.300 -0.068 0.000 1.006 382 V CB -0.685 31.102 31.823 -0.059 0.000 0.641 382 V HN 0.337 nan 8.190 nan 0.000 0.446 383 K N -0.330 120.019 120.400 -0.085 0.000 2.127 383 K HA -0.257 4.063 4.320 0.001 0.000 0.212 383 K C 1.974 178.509 176.600 -0.109 0.000 1.050 383 K CA 2.181 58.414 56.287 -0.089 0.000 0.929 383 K CB -0.537 31.907 32.500 -0.093 0.000 0.715 383 K HN 0.457 nan 8.250 nan 0.000 0.457 384 I N 0.680 121.170 120.570 -0.134 0.000 2.202 384 I HA -0.255 3.915 4.170 0.001 0.000 0.242 384 I C 2.697 178.707 176.117 -0.179 0.000 1.091 384 I CA 1.629 62.827 61.300 -0.170 0.000 1.368 384 I CB -0.869 37.019 38.000 -0.186 0.000 1.058 384 I HN 0.310 nan 8.210 nan 0.000 0.410 385 T N -0.771 113.702 114.554 -0.135 0.000 2.720 385 T HA -0.226 4.125 4.350 0.001 0.000 0.268 385 T C 1.663 176.319 174.700 -0.072 0.000 1.037 385 T CA 1.239 63.275 62.100 -0.107 0.000 1.144 385 T CB -0.412 68.418 68.868 -0.063 0.000 0.864 385 T HN 0.298 nan 8.240 nan 0.000 0.444 386 K N 1.021 121.390 120.400 -0.052 0.000 2.458 386 K HA 0.305 4.625 4.320 0.001 0.000 0.194 386 K C 1.563 178.198 176.600 0.058 0.000 1.024 386 K CA 0.290 56.588 56.287 0.017 0.000 1.108 386 K CB -0.241 32.232 32.500 -0.045 0.000 0.846 386 K HN 0.579 nan 8.250 nan 0.000 0.518 387 G N 2.196 110.937 108.800 -0.098 0.000 2.200 387 G HA2 -0.327 3.633 3.960 0.001 0.000 0.267 387 G HA3 -0.327 3.633 3.960 0.001 0.000 0.267 387 G C 0.489 175.377 174.900 -0.020 0.000 0.993 387 G CA 0.853 45.893 45.100 -0.100 0.000 0.701 387 G HN 0.532 nan 8.290 nan 0.000 0.524 388 E N -0.246 119.936 120.200 -0.030 0.000 2.481 388 E HA 0.446 4.796 4.350 0.001 0.000 0.195 388 E C 1.114 177.680 176.600 -0.057 0.000 1.047 388 E CA 0.646 57.028 56.400 -0.030 0.000 0.867 388 E CB 0.243 29.922 29.700 -0.034 0.000 0.858 388 E HN 0.917 nan 8.360 nan 0.000 0.513 389 A N 0.295 123.060 122.820 -0.092 0.000 2.612 389 A HA 0.316 4.636 4.320 0.001 0.000 0.293 389 A C -0.851 176.633 177.584 -0.166 0.000 1.075 389 A CA -0.757 51.207 52.037 -0.122 0.000 0.680 389 A CB 1.311 20.224 19.000 -0.144 0.000 1.279 389 A HN -0.059 nan 8.150 nan 0.000 0.411 390 D N -0.197 120.084 120.400 -0.198 0.000 2.455 390 D HA 0.436 5.076 4.640 0.001 0.000 0.228 390 D C 0.578 176.697 176.300 -0.302 0.000 1.070 390 D CA 1.393 55.261 54.000 -0.219 0.000 0.881 390 D CB 1.201 41.906 40.800 -0.158 0.000 1.087 390 D HN 0.895 nan 8.370 nan 0.000 0.498 391 A N 0.483 123.019 122.820 -0.475 0.000 2.610 391 A HA 0.733 5.053 4.320 0.001 0.000 0.291 391 A C -1.739 175.173 177.584 -1.120 0.000 1.086 391 A CA -0.531 51.085 52.037 -0.702 0.000 0.677 391 A CB 2.008 20.552 19.000 -0.759 0.000 1.278 391 A HN 0.057 nan 8.150 nan 0.000 0.414 392 I N 0.036 120.053 120.570 -0.923 0.000 2.739 392 I HA 0.357 4.527 4.170 0.001 0.000 0.288 392 I C -0.829 175.165 176.117 -0.204 0.000 1.582 392 I CA -0.073 60.878 61.300 -0.582 0.000 1.035 392 I CB 2.054 39.842 38.000 -0.354 0.000 1.432 392 I HN 0.726 nan 8.210 nan 0.000 0.444 393 S N 6.859 122.578 115.700 0.031 0.000 2.499 393 S HA 0.783 5.253 4.470 0.001 0.000 0.279 393 S C -0.887 173.744 174.600 0.050 0.000 1.219 393 S CA -0.318 57.937 58.200 0.091 0.000 1.062 393 S CB 0.446 63.689 63.200 0.071 0.000 0.978 393 S HN 0.429 nan 8.310 nan 0.000 0.489 394 L N 2.883 124.136 121.223 0.050 0.000 2.350 394 L HA 0.504 4.844 4.340 0.001 0.000 0.260 394 L C -0.458 176.319 176.870 -0.156 0.000 1.015 394 L CA -1.219 53.617 54.840 -0.007 0.000 0.821 394 L CB 1.873 43.966 42.059 0.056 0.000 1.370 394 L HN 0.637 nan 8.230 nan 0.000 0.416 395 D N 0.375 120.591 120.400 -0.307 0.000 2.414 395 D HA 0.100 4.740 4.640 0.001 0.000 0.242 395 D C 1.364 177.676 176.300 0.021 0.000 1.129 395 D CA 0.474 54.111 54.000 -0.605 0.000 0.885 395 D CB 1.715 42.358 40.800 -0.261 0.000 1.198 395 D HN 0.610 nan 8.370 nan 0.000 0.437 396 G N 2.652 111.571 108.800 0.198 0.000 2.596 396 G HA2 -0.326 3.634 3.960 0.001 0.000 0.223 396 G HA3 -0.326 3.634 3.960 0.001 0.000 0.223 396 G C 1.370 176.534 174.900 0.439 0.000 1.120 396 G CA 1.012 46.333 45.100 0.368 0.000 0.752 396 G HN 0.684 nan 8.290 nan 0.000 0.596 397 G N -0.099 108.924 108.800 0.371 0.000 2.408 397 G HA2 -0.070 3.890 3.960 0.001 0.000 0.217 397 G HA3 -0.070 3.890 3.960 0.001 0.000 0.217 397 G C 1.531 176.415 174.900 -0.026 0.000 1.150 397 G CA 0.648 45.877 45.100 0.215 0.000 0.776 397 G HN 0.385 nan 8.290 nan 0.000 0.542 398 F N 0.316 120.362 119.950 0.160 0.000 2.558 398 F HA 0.092 4.620 4.527 0.001 0.000 0.298 398 F C 2.596 178.460 175.800 0.106 0.000 1.119 398 F CA 0.158 58.216 58.000 0.097 0.000 1.451 398 F CB 0.164 39.182 39.000 0.030 0.000 1.091 398 F HN -0.036 nan 8.300 nan 0.000 0.563 399 V N -1.001 119.087 119.914 0.289 0.000 2.453 399 V HA -0.303 3.818 4.120 0.001 0.000 0.247 399 V C 2.027 178.297 176.094 0.293 0.000 1.048 399 V CA 1.735 64.205 62.300 0.282 0.000 1.049 399 V CB -0.835 31.227 31.823 0.398 0.000 0.672 399 V HN 0.389 nan 8.190 nan 0.000 0.457 400 Y N 1.550 122.002 120.300 0.253 0.000 2.133 400 Y HA -0.232 4.318 4.550 0.000 0.000 0.287 400 Y C 2.667 178.565 175.900 -0.003 0.000 1.134 400 Y CA 2.335 60.606 58.100 0.285 0.000 1.133 400 Y CB -0.559 37.992 38.460 0.151 0.000 0.987 400 Y HN 0.188 nan 8.280 nan 0.000 0.502 401 T N 0.644 115.218 114.554 0.033 0.000 2.929 401 T HA -0.114 4.237 4.350 0.001 0.000 0.271 401 T C 1.896 176.507 174.700 -0.149 0.000 1.085 401 T CA 1.100 63.147 62.100 -0.089 0.000 1.125 401 T CB -0.516 68.315 68.868 -0.062 0.000 0.874 401 T HN 0.504 nan 8.240 nan 0.000 0.494 402 A N 0.891 123.639 122.820 -0.120 0.000 2.021 402 A HA 0.371 4.691 4.320 0.001 0.000 0.216 402 A C 2.483 179.892 177.584 -0.291 0.000 1.163 402 A CA 1.141 53.098 52.037 -0.132 0.000 0.676 402 A CB -0.711 18.264 19.000 -0.042 0.000 0.818 402 A HN 0.486 nan 8.150 nan 0.000 0.453 403 G N -0.920 107.542 108.800 -0.563 0.000 2.551 403 G HA2 0.108 4.068 3.960 0.001 0.000 0.216 403 G HA3 0.108 4.068 3.960 0.001 0.000 0.216 403 G C 1.293 175.613 174.900 -0.968 0.000 1.137 403 G CA 0.970 45.521 45.100 -0.915 0.000 0.798 403 G HN 0.243 nan 8.290 nan 0.000 0.536 404 V N 0.337 119.735 119.914 -0.859 0.000 2.548 404 V HA -0.120 4.000 4.120 0.001 0.000 0.249 404 V C 2.584 178.525 176.094 -0.255 0.000 1.055 404 V CA 1.351 63.356 62.300 -0.491 0.000 1.065 404 V CB -0.193 31.351 31.823 -0.464 0.000 0.681 404 V HN 0.447 nan 8.190 nan 0.000 0.462 405 c N 0.501 118.959 118.600 -0.235 0.000 2.626 405 c HA 0.435 5.006 4.570 0.001 0.000 0.266 405 c C 2.037 176.052 174.090 -0.125 0.000 1.317 405 c CA 0.345 56.588 56.329 -0.143 0.000 1.716 405 c CB -0.968 41.470 42.510 -0.119 0.000 1.819 405 c HN 0.839 nan 8.230 nan 0.000 0.578 406 G N 0.512 109.222 108.800 -0.151 0.000 2.175 406 G HA2 -0.210 3.751 3.960 0.001 0.000 0.244 406 G HA3 -0.210 3.751 3.960 0.001 0.000 0.244 406 G C 0.037 174.872 174.900 -0.108 0.000 0.982 406 G CA -0.059 44.975 45.100 -0.110 0.000 0.641 406 G HN 0.510 nan 8.290 nan 0.000 0.527 407 L N 0.216 121.360 121.223 -0.131 0.000 2.395 407 L HA 0.762 5.102 4.340 0.001 0.000 0.269 407 L C 0.531 177.348 176.870 -0.087 0.000 1.133 407 L CA -0.933 53.839 54.840 -0.114 0.000 0.812 407 L CB 1.520 43.507 42.059 -0.120 0.000 1.125 407 L HN 0.001 nan 8.230 nan 0.000 0.452 408 V N 3.141 123.017 119.914 -0.063 0.000 2.680 408 V HA 0.506 4.626 4.120 0.001 0.000 0.309 408 V C -2.262 173.799 176.094 -0.054 0.000 1.052 408 V CA -2.127 60.158 62.300 -0.025 0.000 0.908 408 V CB 2.727 34.541 31.823 -0.014 0.000 1.001 408 V HN 0.568 nan 8.190 nan 0.000 0.431 409 P HA 0.164 nan 4.420 nan 0.000 0.271 409 P C 0.238 177.460 177.300 -0.131 0.000 1.220 409 P CA 0.362 63.346 63.100 -0.195 0.000 0.768 409 P CB 1.352 32.780 31.700 -0.454 0.000 0.848 410 V N 3.793 123.646 119.914 -0.102 0.000 2.635 410 V HA 0.049 4.170 4.120 0.001 0.000 0.233 410 V C 0.953 177.037 176.094 -0.016 0.000 1.097 410 V CA 0.999 63.281 62.300 -0.030 0.000 1.134 410 V CB 0.096 31.924 31.823 0.008 0.000 0.841 410 V HN 0.464 nan 8.190 nan 0.000 0.496 411 V N -0.881 119.040 119.914 0.013 0.000 2.588 411 V HA 0.929 5.050 4.120 0.001 0.000 0.304 411 V C -0.081 176.025 176.094 0.019 0.000 1.042 411 V CA -0.408 61.917 62.300 0.041 0.000 0.877 411 V CB 0.881 32.778 31.823 0.123 0.000 0.996 411 V HN 0.290 nan 8.190 nan 0.000 0.425 412 G N 2.887 111.692 108.800 0.008 0.000 2.353 412 G HA2 0.511 4.472 3.960 0.001 0.000 0.284 412 G HA3 0.511 4.472 3.960 0.001 0.000 0.284 412 G C -0.345 174.568 174.900 0.022 0.000 1.172 412 G CA -0.532 44.601 45.100 0.055 0.000 0.854 412 G HN 0.875 nan 8.290 nan 0.000 0.485 413 E N 1.094 121.308 120.200 0.024 0.000 2.290 413 E HA 0.245 4.596 4.350 0.001 0.000 0.277 413 E C -0.115 176.153 176.600 -0.554 0.000 1.035 413 E CA 0.104 56.388 56.400 -0.192 0.000 0.873 413 E CB 1.161 30.802 29.700 -0.098 0.000 1.029 413 E HN 0.279 nan 8.360 nan 0.000 0.419 414 S N 2.646 118.009 115.700 -0.561 0.000 2.451 414 S HA 0.282 4.752 4.470 0.001 0.000 0.301 414 S C -0.706 173.534 174.600 -0.599 0.000 1.116 414 S CA -0.641 57.242 58.200 -0.527 0.000 1.093 414 S CB 0.344 63.393 63.200 -0.252 0.000 1.017 414 S HN 0.426 nan 8.310 nan 0.000 0.482 415 Y N 1.925 122.174 120.300 -0.085 0.000 2.683 415 Y HA 0.490 5.040 4.550 0.000 0.000 0.297 415 Y C 0.143 175.997 175.900 -0.077 0.000 1.147 415 Y CA -0.599 57.432 58.100 -0.115 0.000 1.274 415 Y CB 0.161 38.536 38.460 -0.142 0.000 1.143 415 Y HN 0.527 nan 8.280 nan 0.000 0.527 416 E N 0.658 120.857 120.200 -0.003 0.000 2.302 416 E HA 0.120 4.470 4.350 0.001 0.000 0.263 416 E C -0.115 176.470 176.600 -0.025 0.000 0.897 416 E CA -0.236 56.167 56.400 0.005 0.000 0.809 416 E CB 0.792 30.511 29.700 0.031 0.000 1.270 416 E HN 0.187 nan 8.360 nan 0.000 0.410 417 D N 2.888 123.275 120.400 -0.022 0.000 2.309 417 D HA -0.180 4.461 4.640 0.001 0.000 0.212 417 D C 0.623 176.947 176.300 0.041 0.000 0.968 417 D CA 1.127 55.113 54.000 -0.023 0.000 0.882 417 D CB 0.543 41.322 40.800 -0.036 0.000 0.918 417 D HN 0.471 nan 8.370 nan 0.000 0.503 418 E N 0.103 120.327 120.200 0.040 0.000 2.101 418 E HA -0.019 4.331 4.350 0.001 0.000 0.194 418 E C 2.158 178.775 176.600 0.028 0.000 0.950 418 E CA 1.012 57.434 56.400 0.038 0.000 0.917 418 E CB 0.070 29.788 29.700 0.030 0.000 0.963 418 E HN 0.346 nan 8.360 nan 0.000 0.476 419 T N -0.055 114.510 114.554 0.018 0.000 3.000 419 T HA 0.001 4.351 4.350 0.001 0.000 0.233 419 T C 0.670 175.375 174.700 0.007 0.000 1.036 419 T CA 0.116 62.226 62.100 0.016 0.000 1.333 419 T CB -0.311 68.569 68.868 0.020 0.000 1.048 419 T HN -0.151 nan 8.240 nan 0.000 0.425 420 Q N -0.119 119.677 119.800 -0.007 0.000 2.398 420 Q HA 0.629 4.970 4.340 0.001 0.000 0.251 420 Q C -0.673 175.312 176.000 -0.025 0.000 0.999 420 Q CA -0.387 55.407 55.803 -0.016 0.000 0.874 420 Q CB 1.278 29.998 28.738 -0.029 0.000 1.215 420 Q HN 0.596 nan 8.270 nan 0.000 0.470 421 c N 0.227 118.822 118.600 -0.008 0.000 4.405 421 c HA 0.198 4.768 4.570 0.001 0.000 0.362 421 c C 1.170 175.266 174.090 0.011 0.000 1.885 421 c CA 0.566 56.893 56.329 -0.003 0.000 1.776 421 c CB 0.013 42.527 42.510 0.008 0.000 2.989 421 c HN 0.953 nan 8.230 nan 0.000 0.612 422 S N 0.409 116.116 115.700 0.012 0.000 5.776 422 S HA 0.137 4.607 4.470 0.001 0.000 0.126 422 S C 0.881 175.488 174.600 0.012 0.000 1.108 422 S CA -0.029 58.181 58.200 0.016 0.000 1.418 422 S CB -0.119 63.093 63.200 0.020 0.000 2.040 422 S HN 0.323 nan 8.310 nan 0.000 0.591 423 K N 0.844 121.251 120.400 0.011 0.000 2.350 423 K HA 0.358 4.678 4.320 0.001 0.000 0.196 423 K C 0.980 177.585 176.600 0.008 0.000 1.084 423 K CA 0.580 56.872 56.287 0.009 0.000 0.967 423 K CB -0.007 32.498 32.500 0.007 0.000 0.950 423 K HN 0.171 nan 8.250 nan 0.000 0.512 424 D N 2.466 122.871 120.400 0.009 0.000 2.084 424 D HA -0.118 4.522 4.640 0.001 0.000 0.196 424 D C 0.264 176.566 176.300 0.004 0.000 0.985 424 D CA 0.853 54.858 54.000 0.009 0.000 0.826 424 D CB -0.164 40.643 40.800 0.012 0.000 0.978 424 D HN 0.300 nan 8.370 nan 0.000 0.456 425 E N 0.792 120.993 120.200 0.002 0.000 2.529 425 E HA -0.049 4.301 4.350 0.001 0.000 0.259 425 E C 0.459 177.057 176.600 -0.003 0.000 0.966 425 E CA 0.183 56.581 56.400 -0.005 0.000 0.937 425 E CB 0.867 30.565 29.700 -0.005 0.000 0.923 425 E HN 0.322 nan 8.360 nan 0.000 0.468 426 E N 3.945 124.138 120.200 -0.012 0.000 2.406 426 E HA 0.101 4.452 4.350 0.001 0.000 0.200 426 E C -0.145 176.443 176.600 -0.019 0.000 1.034 426 E CA 0.036 56.429 56.400 -0.011 0.000 1.057 426 E CB 0.340 30.035 29.700 -0.009 0.000 1.751 426 E HN 0.582 nan 8.360 nan 0.000 0.525 427 Q N 0.497 120.270 119.800 -0.045 0.000 2.345 427 Q HA 0.429 4.769 4.340 0.001 0.000 0.275 427 Q C -2.644 173.286 176.000 -0.117 0.000 1.063 427 Q CA -2.745 53.017 55.803 -0.069 0.000 0.819 427 Q CB 2.498 31.165 28.738 -0.119 0.000 1.356 427 Q HN 0.192 nan 8.270 nan 0.000 0.418 428 P HA -0.044 nan 4.420 nan 0.000 0.260 428 P C -0.865 176.280 177.300 -0.259 0.000 1.185 428 P CA 0.392 63.421 63.100 -0.117 0.000 0.763 428 P CB 0.311 32.001 31.700 -0.016 0.000 0.776 429 A N 4.579 127.283 122.820 -0.194 0.000 2.327 429 A HA 0.376 4.697 4.320 0.001 0.000 0.255 429 A C -0.327 177.129 177.584 -0.214 0.000 1.099 429 A CA -0.163 51.740 52.037 -0.223 0.000 0.801 429 A CB -0.263 18.720 19.000 -0.028 0.000 1.062 429 A HN 0.480 nan 8.150 nan 0.000 0.496 430 Y N -0.693 119.520 120.300 -0.145 0.000 2.320 430 Y HA 0.469 5.020 4.550 0.001 0.000 0.324 430 Y C 0.296 176.050 175.900 -0.244 0.000 1.190 430 Y CA -0.887 57.043 58.100 -0.284 0.000 1.215 430 Y CB -0.036 38.153 38.460 -0.450 0.000 1.221 430 Y HN 0.688 nan 8.280 nan 0.000 0.486 431 Y N -0.678 119.602 120.300 -0.032 0.000 2.518 431 Y HA 0.825 5.376 4.550 0.001 0.000 0.332 431 Y C -1.354 174.359 175.900 -0.312 0.000 1.276 431 Y CA -2.412 55.717 58.100 0.050 0.000 1.418 431 Y CB 0.680 39.197 38.460 0.096 0.000 1.527 431 Y HN 0.337 nan 8.280 nan 0.000 0.549 432 F N 0.149 120.375 119.950 0.460 0.000 2.556 432 F HA 0.688 5.215 4.527 0.000 0.000 0.314 432 F C -0.151 175.786 175.800 0.227 0.000 1.106 432 F CA -1.281 56.782 58.000 0.105 0.000 0.911 432 F CB 1.962 40.903 39.000 -0.099 0.000 1.190 432 F HN 0.783 nan 8.300 nan 0.000 0.448 433 A N 2.908 125.904 122.820 0.293 0.000 2.362 433 A HA 0.672 4.992 4.320 0.001 0.000 0.276 433 A C -0.756 177.011 177.584 0.306 0.000 1.153 433 A CA -0.369 51.834 52.037 0.277 0.000 0.813 433 A CB 0.553 19.652 19.000 0.165 0.000 1.081 433 A HN 0.623 nan 8.150 nan 0.000 0.507 434 V N 1.426 121.523 119.914 0.305 0.000 3.040 434 V HA 0.754 4.875 4.120 0.001 0.000 0.312 434 V C -0.007 176.259 176.094 0.286 0.000 1.115 434 V CA -0.138 62.343 62.300 0.302 0.000 0.998 434 V CB 2.256 34.295 31.823 0.361 0.000 1.042 434 V HN 1.280 nan 8.190 nan 0.000 0.433 435 A N 3.820 126.778 122.820 0.230 0.000 2.273 435 A HA 0.777 5.097 4.320 0.001 0.000 0.315 435 A C -0.903 176.731 177.584 0.083 0.000 1.256 435 A CA -0.406 51.751 52.037 0.201 0.000 0.851 435 A CB 1.076 20.282 19.000 0.342 0.000 1.172 435 A HN 0.678 nan 8.150 nan 0.000 0.508 436 V N 3.764 123.668 119.914 -0.016 0.000 2.439 436 V HA 0.562 4.682 4.120 0.001 0.000 0.282 436 V C 0.310 176.407 176.094 0.005 0.000 1.039 436 V CA -0.276 62.030 62.300 0.010 0.000 0.913 436 V CB 1.199 32.994 31.823 -0.047 0.000 0.983 436 V HN 0.897 nan 8.190 nan 0.000 0.460 437 V N 2.205 122.184 119.914 0.107 0.000 3.126 437 V HA 0.677 4.797 4.120 0.001 0.000 0.314 437 V C -0.064 176.175 176.094 0.241 0.000 1.138 437 V CA -1.070 61.304 62.300 0.124 0.000 1.034 437 V CB 1.736 33.607 31.823 0.080 0.000 1.075 437 V HN 0.703 nan 8.190 nan 0.000 0.442 438 K N -0.031 120.471 120.400 0.171 0.000 2.976 438 K HA 0.395 4.715 4.320 0.001 0.000 0.335 438 K C 1.275 177.867 176.600 -0.014 0.000 0.990 438 K CA -0.624 55.706 56.287 0.072 0.000 1.231 438 K CB 0.006 32.538 32.500 0.052 0.000 1.331 438 K HN 0.607 nan 8.250 nan 0.000 0.556 439 K N 1.193 121.559 120.400 -0.057 0.000 1.964 439 K HA -0.066 4.254 4.320 0.001 0.000 0.218 439 K C 0.654 177.243 176.600 -0.018 0.000 1.043 439 K CA 1.157 57.412 56.287 -0.054 0.000 0.966 439 K CB -1.307 31.157 32.500 -0.060 0.000 0.739 439 K HN 0.728 nan 8.250 nan 0.000 0.443 440 S N 1.721 117.416 115.700 -0.007 0.000 3.799 440 S HA -0.110 4.361 4.470 0.001 0.000 0.454 440 S C 0.632 175.240 174.600 0.013 0.000 1.130 440 S CA 0.494 58.697 58.200 0.005 0.000 0.966 440 S CB -0.345 62.862 63.200 0.012 0.000 0.680 440 S HN 0.380 nan 8.310 nan 0.000 0.496 441 S N 2.024 117.731 115.700 0.011 0.000 2.481 441 S HA 0.576 5.047 4.470 0.001 0.000 0.243 441 S C 1.015 175.629 174.600 0.023 0.000 1.152 441 S CA -0.230 57.981 58.200 0.018 0.000 1.168 441 S CB -0.162 63.045 63.200 0.012 0.000 0.835 441 S HN 0.996 nan 8.310 nan 0.000 0.474 442 A N 2.078 124.913 122.820 0.025 0.000 1.864 442 A HA 0.412 4.732 4.320 0.001 0.000 0.213 442 A C 0.766 178.374 177.584 0.040 0.000 1.266 442 A CA 0.123 52.176 52.037 0.027 0.000 0.612 442 A CB -0.818 18.194 19.000 0.021 0.000 0.940 442 A HN 0.686 nan 8.150 nan 0.000 0.463 443 I N 1.943 122.541 120.570 0.047 0.000 3.076 443 I HA 0.014 4.184 4.170 0.001 0.000 0.321 443 I C 0.793 176.965 176.117 0.091 0.000 1.216 443 I CA 0.742 62.084 61.300 0.069 0.000 1.460 443 I CB -0.203 37.841 38.000 0.073 0.000 1.313 443 I HN 0.556 nan 8.210 nan 0.000 0.546 444 T N 2.172 116.796 114.554 0.116 0.000 2.804 444 T HA 0.194 4.544 4.350 0.001 0.000 0.290 444 T C 0.490 175.343 174.700 0.255 0.000 1.099 444 T CA -0.826 61.372 62.100 0.163 0.000 1.011 444 T CB 1.455 70.402 68.868 0.131 0.000 1.291 444 T HN 0.805 nan 8.240 nan 0.000 0.523 445 W N 1.812 123.170 121.300 0.097 0.000 2.352 445 W HA -0.147 4.513 4.660 0.000 0.000 0.322 445 W C 1.285 177.888 176.519 0.140 0.000 1.208 445 W CA 1.685 59.110 57.345 0.134 0.000 1.286 445 W CB -0.322 29.203 29.460 0.109 0.000 1.167 445 W HN 0.803 nan 8.180 nan 0.000 0.469 446 N N 1.269 119.982 118.700 0.023 0.000 2.626 446 N HA -0.168 4.572 4.740 0.001 0.000 0.193 446 N C 0.819 176.281 175.510 -0.080 0.000 1.213 446 N CA 0.903 53.892 53.050 -0.101 0.000 0.914 446 N CB -0.606 37.895 38.487 0.023 0.000 0.994 446 N HN 0.339 nan 8.380 nan 0.000 0.447 447 N N 0.651 119.320 118.700 -0.051 0.000 2.160 447 N HA 0.005 4.745 4.740 0.001 0.000 0.226 447 N C 0.871 176.361 175.510 -0.034 0.000 1.256 447 N CA -0.307 52.722 53.050 -0.035 0.000 0.890 447 N CB 0.136 38.629 38.487 0.010 0.000 1.116 447 N HN -0.028 nan 8.380 nan 0.000 0.517 448 L N 1.436 122.640 121.223 -0.032 0.000 2.217 448 L HA 0.115 4.455 4.340 0.001 0.000 0.211 448 L C 1.159 177.964 176.870 -0.109 0.000 1.107 448 L CA 1.017 55.915 54.840 0.098 0.000 0.783 448 L CB -0.991 41.231 42.059 0.272 0.000 0.919 448 L HN 0.374 nan 8.230 nan 0.000 0.442 449 Q N -0.400 119.084 119.800 -0.527 0.000 2.262 449 Q HA 0.268 4.608 4.340 0.001 0.000 0.298 449 Q C 1.120 176.835 176.000 -0.475 0.000 1.083 449 Q CA 1.082 56.191 55.803 -1.156 0.000 0.962 449 Q CB -0.018 28.112 28.738 -1.012 0.000 1.104 449 Q HN 0.458 nan 8.270 nan 0.000 0.376 450 G N 2.780 111.385 108.800 -0.325 0.000 2.213 450 G HA2 -0.192 3.769 3.960 0.001 0.000 0.226 450 G HA3 -0.192 3.769 3.960 0.001 0.000 0.226 450 G C -0.140 174.803 174.900 0.072 0.000 0.992 450 G CA 0.039 45.089 45.100 -0.083 0.000 0.632 450 G HN 0.538 nan 8.290 nan 0.000 0.511 451 K N 0.183 120.713 120.400 0.215 0.000 2.140 451 K HA 0.526 4.846 4.320 0.001 0.000 0.237 451 K C 0.741 177.483 176.600 0.237 0.000 1.045 451 K CA -0.516 55.920 56.287 0.248 0.000 0.896 451 K CB 0.338 32.986 32.500 0.247 0.000 1.122 451 K HN 0.183 nan 8.250 nan 0.000 0.503 452 K N 1.083 121.524 120.400 0.069 0.000 2.981 452 K HA 0.087 4.408 4.320 0.001 0.000 0.213 452 K C -0.422 176.090 176.600 -0.147 0.000 1.154 452 K CA -0.121 56.164 56.287 -0.004 0.000 1.111 452 K CB 0.117 32.617 32.500 -0.001 0.000 0.975 452 K HN 0.700 nan 8.250 nan 0.000 0.462 453 S N -0.522 114.964 115.700 -0.358 0.000 2.525 453 S HA -0.098 4.372 4.470 0.001 0.000 0.282 453 S C 0.198 174.550 174.600 -0.414 0.000 1.324 453 S CA -0.282 57.554 58.200 -0.608 0.000 1.025 453 S CB 0.136 62.566 63.200 -1.283 0.000 0.820 453 S HN 0.345 nan 8.310 nan 0.000 0.514 454 c N 2.250 120.513 118.600 -0.561 0.000 2.608 454 c HA 0.679 5.250 4.570 0.001 0.000 0.325 454 c C -0.814 173.061 174.090 -0.358 0.000 1.147 454 c CA -0.843 55.271 56.329 -0.358 0.000 1.359 454 c CB 0.379 42.708 42.510 -0.301 0.000 1.912 454 c HN 1.027 nan 8.230 nan 0.000 0.466 455 H N -0.194 118.949 119.070 0.121 0.000 2.637 455 H HA 0.442 4.998 4.556 0.000 0.000 0.363 455 H C 1.289 176.701 175.328 0.140 0.000 1.131 455 H CA 0.135 56.323 56.048 0.234 0.000 1.183 455 H CB 1.637 31.611 29.762 0.353 0.000 1.637 455 H HN 0.723 nan 8.280 nan 0.000 0.531 456 T N 0.419 115.102 114.554 0.214 0.000 2.635 456 T HA 0.063 4.414 4.350 0.001 0.000 0.267 456 T C 0.855 175.553 174.700 -0.003 0.000 1.040 456 T CA 1.026 63.121 62.100 -0.009 0.000 1.156 456 T CB -0.037 68.742 68.868 -0.148 0.000 0.863 456 T HN 0.754 nan 8.240 nan 0.000 0.430 457 A N -0.542 122.356 122.820 0.131 0.000 2.569 457 A HA 0.562 4.882 4.320 0.001 0.000 0.292 457 A C -0.818 176.839 177.584 0.122 0.000 1.032 457 A CA -0.669 51.468 52.037 0.166 0.000 0.669 457 A CB 0.855 19.992 19.000 0.228 0.000 1.290 457 A HN 0.448 nan 8.150 nan 0.000 0.422 458 V N 1.283 121.134 119.914 -0.106 0.000 2.599 458 V HA 0.417 4.537 4.120 0.001 0.000 0.300 458 V C 1.624 177.528 176.094 -0.316 0.000 1.034 458 V CA 1.816 63.749 62.300 -0.612 0.000 1.115 458 V CB 0.368 31.674 31.823 -0.862 0.000 0.934 458 V HN 2.584 nan 8.190 nan 0.000 0.485 459 G N 4.122 112.680 108.800 -0.403 0.000 2.147 459 G HA2 -0.239 3.722 3.960 0.001 0.000 0.244 459 G HA3 -0.239 3.722 3.960 0.001 0.000 0.244 459 G C 0.164 175.040 174.900 -0.041 0.000 1.005 459 G CA -0.044 44.923 45.100 -0.222 0.000 0.713 459 G HN 0.662 nan 8.290 nan 0.000 0.515 460 R N 0.193 120.815 120.500 0.204 0.000 2.346 460 R HA 0.512 4.852 4.340 0.001 0.000 0.311 460 R C 1.789 178.259 176.300 0.283 0.000 0.983 460 R CA 0.020 56.272 56.100 0.254 0.000 0.880 460 R CB 0.771 31.202 30.300 0.218 0.000 1.100 460 R HN 0.175 nan 8.270 nan 0.000 0.453 461 T N 2.313 117.052 114.554 0.308 0.000 2.321 461 T HA -0.369 3.981 4.350 0.001 0.000 0.224 461 T C 1.827 176.687 174.700 0.266 0.000 1.498 461 T CA 2.388 64.677 62.100 0.315 0.000 1.144 461 T CB -0.315 68.644 68.868 0.153 0.000 0.853 461 T HN 0.794 nan 8.240 nan 0.000 0.411 462 A N 1.249 124.256 122.820 0.312 0.000 1.877 462 A HA 0.151 4.471 4.320 0.001 0.000 0.216 462 A C 2.677 180.446 177.584 0.307 0.000 1.186 462 A CA 2.026 54.263 52.037 0.332 0.000 0.620 462 A CB -1.392 17.895 19.000 0.478 0.000 0.822 462 A HN 0.621 nan 8.150 nan 0.000 0.443 463 G N -2.994 105.989 108.800 0.305 0.000 2.484 463 G HA2 -0.099 3.861 3.960 0.001 0.000 0.218 463 G HA3 -0.099 3.861 3.960 0.001 0.000 0.218 463 G C 1.254 176.421 174.900 0.445 0.000 1.130 463 G CA 1.109 46.423 45.100 0.357 0.000 0.784 463 G HN 0.672 nan 8.290 nan 0.000 0.543 464 W N -0.560 120.799 121.300 0.099 0.000 4.811 464 W HA 0.101 4.762 4.660 0.001 0.000 0.178 464 W C 1.315 177.759 176.519 -0.124 0.000 1.104 464 W CA 0.194 57.517 57.345 -0.035 0.000 1.779 464 W CB -0.222 29.189 29.460 -0.083 0.000 0.601 464 W HN 0.066 nan 8.180 nan 0.000 1.017 465 N N 1.727 120.438 118.700 0.019 0.000 2.080 465 N HA -0.139 4.601 4.740 0.001 0.000 0.189 465 N C 1.659 177.098 175.510 -0.117 0.000 1.036 465 N CA 2.280 55.294 53.050 -0.060 0.000 0.846 465 N CB -0.776 37.760 38.487 0.082 0.000 1.015 465 N HN 0.044 nan 8.380 nan 0.000 0.423 466 I N 1.514 122.082 120.570 -0.003 0.000 2.113 466 I HA -0.143 4.028 4.170 0.001 0.000 0.238 466 I C -0.683 175.361 176.117 -0.122 0.000 1.070 466 I CA 1.414 62.709 61.300 -0.008 0.000 1.332 466 I CB -2.495 35.543 38.000 0.063 0.000 1.044 466 I HN 0.055 nan 8.210 nan 0.000 0.402 467 P HA -0.161 nan 4.420 nan 0.000 0.213 467 P C 1.959 179.020 177.300 -0.397 0.000 1.170 467 P CA 1.743 64.591 63.100 -0.420 0.000 0.902 467 P CB -0.192 30.940 31.700 -0.948 0.000 0.789 468 M N -1.414 117.794 119.600 -0.654 0.000 2.288 468 M HA 0.074 4.555 4.480 0.001 0.000 0.266 468 M C 2.318 178.342 176.300 -0.460 0.000 1.072 468 M CA 1.553 56.365 55.300 -0.813 0.000 1.132 468 M CB -2.266 29.309 32.600 -1.709 0.000 1.386 468 M HN -0.023 nan 8.290 nan 0.000 0.432 469 G N 1.050 109.647 108.800 -0.339 0.000 2.459 469 G HA2 -0.178 3.782 3.960 0.001 0.000 0.217 469 G HA3 -0.178 3.782 3.960 0.001 0.000 0.217 469 G C 1.542 176.438 174.900 -0.007 0.000 1.183 469 G CA 0.594 45.625 45.100 -0.116 0.000 0.776 469 G HN 0.279 nan 8.290 nan 0.000 0.552 470 L N 0.750 121.963 121.223 -0.016 0.000 1.989 470 L HA 0.014 4.354 4.340 0.001 0.000 0.211 470 L C 2.922 179.825 176.870 0.056 0.000 1.071 470 L CA 1.161 56.044 54.840 0.072 0.000 0.749 470 L CB -0.770 41.387 42.059 0.162 0.000 0.890 470 L HN 0.250 nan 8.230 nan 0.000 0.431 471 I N -1.612 118.922 120.570 -0.060 0.000 2.142 471 I HA -0.380 3.791 4.170 0.001 0.000 0.240 471 I C 2.576 178.598 176.117 -0.158 0.000 1.078 471 I CA 1.586 62.723 61.300 -0.271 0.000 1.343 471 I CB -0.517 37.088 38.000 -0.659 0.000 1.046 471 I HN 0.389 nan 8.210 nan 0.000 0.405 472 H N 1.702 120.718 119.070 -0.091 0.000 2.357 472 H HA -0.225 4.331 4.556 0.001 0.000 0.296 472 H C 1.978 177.302 175.328 -0.008 0.000 1.108 472 H CA 2.355 58.424 56.048 0.035 0.000 1.273 472 H CB -0.190 29.709 29.762 0.228 0.000 1.367 472 H HN 0.243 nan 8.280 nan 0.000 0.498 473 N N 0.368 118.951 118.700 -0.195 0.000 2.120 473 N HA -0.110 4.630 4.740 0.001 0.000 0.188 473 N C 1.770 177.191 175.510 -0.149 0.000 1.024 473 N CA 1.156 54.086 53.050 -0.201 0.000 0.852 473 N CB -0.200 38.252 38.487 -0.058 0.000 1.003 473 N HN 0.425 nan 8.380 nan 0.000 0.424 474 K N -0.114 120.230 120.400 -0.093 0.000 1.969 474 K HA -0.135 4.185 4.320 0.001 0.000 0.216 474 K C 2.194 178.744 176.600 -0.084 0.000 1.048 474 K CA 2.152 58.400 56.287 -0.064 0.000 0.948 474 K CB -0.550 31.916 32.500 -0.057 0.000 0.726 474 K HN 0.428 nan 8.250 nan 0.000 0.442 475 T N -2.319 112.178 114.554 -0.096 0.000 2.777 475 T HA -0.037 4.314 4.350 0.001 0.000 0.266 475 T C 1.402 176.040 174.700 -0.105 0.000 1.040 475 T CA 1.106 63.161 62.100 -0.075 0.000 1.141 475 T CB -0.661 68.185 68.868 -0.038 0.000 0.868 475 T HN 0.465 nan 8.240 nan 0.000 0.444 476 G N 1.397 110.079 108.800 -0.197 0.000 2.295 476 G HA2 -0.151 3.810 3.960 0.001 0.000 0.287 476 G HA3 -0.151 3.810 3.960 0.001 0.000 0.287 476 G C 0.056 174.903 174.900 -0.090 0.000 1.055 476 G CA 0.530 45.497 45.100 -0.222 0.000 0.922 476 G HN 1.549 nan 8.290 nan 0.000 0.503 477 S N -1.762 113.911 115.700 -0.046 0.000 2.538 477 S HA 0.516 4.987 4.470 0.001 0.000 0.288 477 S C 0.525 175.062 174.600 -0.106 0.000 1.108 477 S CA -0.178 57.995 58.200 -0.046 0.000 0.971 477 S CB 1.730 64.901 63.200 -0.049 0.000 1.041 477 S HN 0.754 nan 8.310 nan 0.000 0.483 478 c N 2.875 121.353 118.600 -0.203 0.000 2.305 478 c HA 0.331 4.901 4.570 0.001 0.000 0.361 478 c C 1.367 175.084 174.090 -0.620 0.000 1.312 478 c CA -0.326 55.684 56.329 -0.533 0.000 1.705 478 c CB -2.268 40.047 42.510 -0.325 0.000 1.882 478 c HN 0.952 nan 8.230 nan 0.000 0.587 479 D N 0.206 120.350 120.400 -0.426 0.000 2.340 479 D HA 0.021 4.662 4.640 0.001 0.000 0.220 479 D C 1.556 177.830 176.300 -0.043 0.000 1.039 479 D CA 0.086 53.978 54.000 -0.180 0.000 0.866 479 D CB -0.101 40.660 40.800 -0.064 0.000 0.913 479 D HN 0.316 nan 8.370 nan 0.000 0.523 480 F N 1.427 121.431 119.950 0.089 0.000 2.085 480 F HA -0.384 4.143 4.527 0.001 0.000 0.273 480 F C 2.273 178.192 175.800 0.197 0.000 1.074 480 F CA 1.685 59.749 58.000 0.107 0.000 1.390 480 F CB -1.602 37.507 39.000 0.183 0.000 0.917 480 F HN 0.176 nan 8.300 nan 0.000 0.490 481 D N 0.009 120.645 120.400 0.394 0.000 2.133 481 D HA -0.221 4.419 4.640 0.001 0.000 0.195 481 D C 1.236 177.686 176.300 0.250 0.000 0.997 481 D CA 1.779 55.962 54.000 0.305 0.000 0.840 481 D CB -0.510 40.426 40.800 0.228 0.000 0.947 481 D HN 0.377 nan 8.370 nan 0.000 0.452 482 D N -1.297 119.217 120.400 0.190 0.000 2.690 482 D HA -0.001 4.639 4.640 0.001 0.000 0.236 482 D C 0.511 176.890 176.300 0.132 0.000 1.218 482 D CA -0.226 53.855 54.000 0.134 0.000 0.829 482 D CB -0.537 40.310 40.800 0.079 0.000 1.009 482 D HN 0.276 nan 8.370 nan 0.000 0.482 483 Y N -0.477 119.838 120.300 0.025 0.000 2.569 483 Y HA 0.292 4.842 4.550 0.000 0.000 0.278 483 Y C -0.030 175.777 175.900 -0.155 0.000 1.130 483 Y CA 0.001 58.023 58.100 -0.129 0.000 1.280 483 Y CB 0.176 38.472 38.460 -0.273 0.000 1.379 483 Y HN -0.219 nan 8.280 nan 0.000 0.508 484 F N 0.287 120.385 119.950 0.247 0.000 2.370 484 F HA 0.224 4.751 4.527 0.001 0.000 0.324 484 F C 1.885 177.742 175.800 0.095 0.000 1.116 484 F CA 0.452 58.550 58.000 0.163 0.000 1.123 484 F CB 1.072 40.248 39.000 0.293 0.000 1.238 484 F HN -0.014 nan 8.300 nan 0.000 0.536 485 S N 0.137 115.997 115.700 0.267 0.000 2.395 485 S HA 0.001 4.471 4.470 0.001 0.000 0.225 485 S C -0.036 174.654 174.600 0.150 0.000 1.027 485 S CA 1.041 59.329 58.200 0.147 0.000 0.965 485 S CB -0.474 62.784 63.200 0.097 0.000 0.812 485 S HN 0.724 nan 8.310 nan 0.000 0.482 486 E N -1.896 118.409 120.200 0.175 0.000 2.392 486 E HA 0.564 4.914 4.350 0.001 0.000 0.281 486 E C -0.505 176.182 176.600 0.144 0.000 1.088 486 E CA -0.912 55.575 56.400 0.146 0.000 0.850 486 E CB 0.774 30.533 29.700 0.097 0.000 1.267 486 E HN 0.282 nan 8.360 nan 0.000 0.438 487 G N -0.468 108.417 108.800 0.141 0.000 2.548 487 G HA2 0.520 4.480 3.960 0.001 0.000 0.301 487 G HA3 0.520 4.480 3.960 0.001 0.000 0.301 487 G C -1.737 173.237 174.900 0.125 0.000 1.349 487 G CA -0.383 44.792 45.100 0.125 0.000 0.792 487 G HN 0.643 nan 8.290 nan 0.000 0.481 488 c N 0.110 118.792 118.600 0.136 0.000 2.396 488 c HA 0.891 5.461 4.570 0.001 0.000 0.321 488 c C 0.040 174.314 174.090 0.305 0.000 1.233 488 c CA 0.482 56.899 56.329 0.147 0.000 1.440 488 c CB 0.042 42.566 42.510 0.023 0.000 2.110 488 c HN 1.629 nan 8.230 nan 0.000 0.473 489 A N 7.533 130.503 122.820 0.249 0.000 2.741 489 A HA 0.616 4.937 4.320 0.001 0.000 0.298 489 A C -3.099 174.549 177.584 0.106 0.000 1.153 489 A CA -0.748 51.419 52.037 0.216 0.000 0.816 489 A CB 0.590 19.677 19.000 0.145 0.000 1.396 489 A HN 0.618 nan 8.150 nan 0.000 0.407 490 P HA 0.389 nan 4.420 nan 0.000 0.268 490 P C 1.055 178.391 177.300 0.060 0.000 1.204 490 P CA 1.795 64.970 63.100 0.125 0.000 0.768 490 P CB 0.911 32.734 31.700 0.206 0.000 0.842 491 G N 1.020 109.824 108.800 0.006 0.000 2.134 491 G HA2 -0.176 3.784 3.960 0.001 0.000 0.209 491 G HA3 -0.176 3.784 3.960 0.001 0.000 0.209 491 G C 0.178 175.034 174.900 -0.073 0.000 0.993 491 G CA -0.293 44.785 45.100 -0.036 0.000 0.669 491 G HN 0.568 nan 8.290 nan 0.000 0.519 492 S N 1.583 117.249 115.700 -0.056 0.000 2.616 492 S HA 0.671 5.142 4.470 0.001 0.000 0.277 492 S C -1.990 172.602 174.600 -0.014 0.000 1.234 492 S CA -0.973 57.193 58.200 -0.058 0.000 1.028 492 S CB 1.685 64.871 63.200 -0.025 0.000 0.988 492 S HN 0.254 nan 8.310 nan 0.000 0.522 493 P HA 0.144 nan 4.420 nan 0.000 0.265 493 P C -2.161 175.154 177.300 0.026 0.000 1.193 493 P CA -1.119 61.988 63.100 0.011 0.000 0.765 493 P CB -0.223 31.490 31.700 0.021 0.000 0.823 494 P HA -0.238 nan 4.420 nan 0.000 0.217 494 P C 1.132 178.456 177.300 0.039 0.000 1.148 494 P CA 1.797 64.915 63.100 0.030 0.000 0.834 494 P CB -0.266 31.447 31.700 0.022 0.000 0.783 495 N N -1.965 116.759 118.700 0.039 0.000 2.354 495 N HA -0.040 4.701 4.740 0.001 0.000 0.179 495 N C 0.830 176.374 175.510 0.056 0.000 1.021 495 N CA 0.287 53.363 53.050 0.044 0.000 0.887 495 N CB -0.856 37.654 38.487 0.037 0.000 0.974 495 N HN -0.123 nan 8.380 nan 0.000 0.437 496 S N -0.190 115.548 115.700 0.064 0.000 2.563 496 S HA 0.041 4.512 4.470 0.001 0.000 0.269 496 S C 1.255 175.913 174.600 0.098 0.000 1.364 496 S CA -0.424 57.828 58.200 0.087 0.000 1.010 496 S CB 0.446 63.701 63.200 0.091 0.000 0.877 496 S HN 0.291 nan 8.310 nan 0.000 0.549 497 R N 1.336 121.910 120.500 0.124 0.000 2.161 497 R HA 0.124 4.465 4.340 0.001 0.000 0.213 497 R C 1.645 178.039 176.300 0.157 0.000 1.055 497 R CA 0.590 56.770 56.100 0.135 0.000 0.996 497 R CB -0.328 30.063 30.300 0.152 0.000 0.901 497 R HN 0.582 nan 8.270 nan 0.000 0.456 498 L N -0.279 121.051 121.223 0.179 0.000 2.599 498 L HA 0.007 4.347 4.340 0.001 0.000 0.230 498 L C 1.197 178.153 176.870 0.143 0.000 1.141 498 L CA 0.120 55.077 54.840 0.196 0.000 0.877 498 L CB 0.200 42.408 42.059 0.249 0.000 1.009 498 L HN 0.163 nan 8.230 nan 0.000 0.447 499 c N -1.221 117.447 118.600 0.113 0.000 3.104 499 c HA 0.090 4.660 4.570 0.001 0.000 0.284 499 c C 2.260 176.406 174.090 0.094 0.000 1.326 499 c CA -0.349 56.037 56.329 0.095 0.000 1.725 499 c CB -0.144 42.409 42.510 0.072 0.000 2.156 499 c HN 0.344 nan 8.230 nan 0.000 0.638 500 K N 0.892 121.350 120.400 0.097 0.000 2.103 500 K HA 0.147 4.467 4.320 0.001 0.000 0.204 500 K C 1.502 178.151 176.600 0.081 0.000 1.052 500 K CA 1.198 57.536 56.287 0.084 0.000 0.945 500 K CB -0.032 32.517 32.500 0.081 0.000 0.722 500 K HN 0.401 nan 8.250 nan 0.000 0.443 501 L N 0.325 121.591 121.223 0.073 0.000 2.592 501 L HA 0.106 4.447 4.340 0.001 0.000 0.227 501 L C 0.122 177.072 176.870 0.134 0.000 1.127 501 L CA -0.460 54.410 54.840 0.049 0.000 0.884 501 L CB -0.038 41.993 42.059 -0.047 0.000 1.065 501 L HN 0.106 nan 8.230 nan 0.000 0.457 502 c N 0.696 119.408 118.600 0.186 0.000 2.652 502 c HA 0.069 4.639 4.570 0.001 0.000 0.412 502 c C 1.617 175.862 174.090 0.257 0.000 1.294 502 c CA -0.420 56.105 56.329 0.326 0.000 2.127 502 c CB 0.888 43.527 42.510 0.214 0.000 2.691 502 c HN 0.448 nan 8.230 nan 0.000 0.615 503 Q N 0.751 120.666 119.800 0.191 0.000 2.189 503 Q HA 0.214 4.555 4.340 0.001 0.000 0.223 503 Q C 1.171 177.143 176.000 -0.046 0.000 0.828 503 Q CA 0.729 56.541 55.803 0.015 0.000 0.967 503 Q CB 0.558 29.215 28.738 -0.136 0.000 1.139 503 Q HN 1.186 nan 8.270 nan 0.000 0.497 504 G N 1.643 110.428 108.800 -0.024 0.000 2.598 504 G HA2 -0.278 3.682 3.960 0.001 0.000 0.269 504 G HA3 -0.278 3.682 3.960 0.001 0.000 0.269 504 G C -0.167 174.696 174.900 -0.060 0.000 1.289 504 G CA 0.023 45.111 45.100 -0.021 0.000 0.926 504 G HN 0.233 nan 8.290 nan 0.000 0.567 505 S N 1.766 117.442 115.700 -0.040 0.000 2.560 505 S HA 0.435 4.905 4.470 0.001 0.000 0.323 505 S C 1.470 176.029 174.600 -0.069 0.000 1.191 505 S CA 1.456 59.619 58.200 -0.062 0.000 1.231 505 S CB -0.491 62.668 63.200 -0.068 0.000 1.224 505 S HN 2.429 nan 8.310 nan 0.000 0.545 506 G N 3.847 112.594 108.800 -0.089 0.000 2.574 506 G HA2 -0.340 3.620 3.960 0.001 0.000 0.301 506 G HA3 -0.340 3.620 3.960 0.001 0.000 0.301 506 G C 0.569 175.416 174.900 -0.088 0.000 1.166 506 G CA 0.759 45.809 45.100 -0.083 0.000 0.971 506 G HN 0.611 nan 8.290 nan 0.000 0.542 507 E N 1.124 121.292 120.200 -0.053 0.000 2.535 507 E HA 0.127 4.478 4.350 0.001 0.000 0.216 507 E C 0.804 177.392 176.600 -0.021 0.000 0.845 507 E CA 0.655 57.035 56.400 -0.034 0.000 1.306 507 E CB -0.351 29.339 29.700 -0.015 0.000 1.291 507 E HN 0.631 nan 8.360 nan 0.000 0.635 508 N N 3.555 122.240 118.700 -0.025 0.000 2.106 508 N HA -0.107 4.634 4.740 0.001 0.000 0.284 508 N C 1.080 176.579 175.510 -0.018 0.000 1.388 508 N CA 0.601 53.639 53.050 -0.021 0.000 0.944 508 N CB 0.077 38.547 38.487 -0.028 0.000 1.333 508 N HN 0.191 nan 8.380 nan 0.000 0.489 509 L N 3.043 124.260 121.223 -0.010 0.000 3.483 509 L HA -0.480 3.861 4.340 0.001 0.000 0.151 509 L C 1.353 178.221 176.870 -0.003 0.000 4.092 509 L CA 2.130 56.968 54.840 -0.004 0.000 0.973 509 L CB -1.382 40.676 42.059 -0.003 0.000 3.295 509 L HN 0.574 nan 8.230 nan 0.000 0.581 510 L N -1.307 119.913 121.223 -0.005 0.000 3.468 510 L HA -0.337 4.003 4.340 0.001 0.000 0.123 510 L C 1.187 178.064 176.870 0.011 0.000 4.220 510 L CA 2.820 57.660 54.840 0.000 0.000 0.847 510 L CB -1.636 40.415 42.059 -0.013 0.000 3.393 510 L HN 0.850 nan 8.230 nan 0.000 0.599 511 E N -1.925 118.284 120.200 0.014 0.000 3.191 511 E HA 0.163 4.513 4.350 0.001 0.000 0.303 511 E C 0.289 176.899 176.600 0.017 0.000 1.197 511 E CA -0.131 56.279 56.400 0.018 0.000 0.901 511 E CB 0.711 30.429 29.700 0.030 0.000 1.446 511 E HN 0.159 nan 8.360 nan 0.000 0.385 512 K N -0.071 120.341 120.400 0.021 0.000 2.588 512 K HA -0.199 4.122 4.320 0.001 0.000 0.197 512 K C 0.289 176.917 176.600 0.047 0.000 1.047 512 K CA 1.173 57.481 56.287 0.035 0.000 0.927 512 K CB -0.080 32.442 32.500 0.037 0.000 0.770 512 K HN 0.490 nan 8.250 nan 0.000 0.497 513 c N -0.447 118.174 118.600 0.036 0.000 3.961 513 c HA 0.142 4.713 4.570 0.001 0.000 0.326 513 c C -0.209 173.890 174.090 0.014 0.000 2.639 513 c CA -0.712 55.644 56.329 0.046 0.000 1.490 513 c CB -0.514 42.025 42.510 0.048 0.000 2.907 513 c HN -0.011 nan 8.230 nan 0.000 0.426 514 V N 2.460 122.362 119.914 -0.020 0.000 2.999 514 V HA 0.345 4.466 4.120 0.001 0.000 0.307 514 V C 1.082 177.102 176.094 -0.123 0.000 1.084 514 V CA 0.918 63.170 62.300 -0.080 0.000 1.155 514 V CB 0.755 32.509 31.823 -0.115 0.000 0.975 514 V HN 0.594 nan 8.190 nan 0.000 0.490 515 A N 3.921 126.635 122.820 -0.176 0.000 2.923 515 A HA 0.626 4.946 4.320 0.001 0.000 0.306 515 A C 0.392 177.521 177.584 -0.758 0.000 1.542 515 A CA 0.381 52.258 52.037 -0.267 0.000 1.225 515 A CB -0.592 18.378 19.000 -0.050 0.000 1.147 515 A HN 1.317 nan 8.150 nan 0.000 0.542 516 S N -0.353 114.671 115.700 -1.127 0.000 2.597 516 S HA 0.347 4.817 4.470 0.001 0.000 0.274 516 S C -0.103 174.093 174.600 -0.673 0.000 1.132 516 S CA -0.006 57.530 58.200 -1.106 0.000 0.835 516 S CB 0.386 63.224 63.200 -0.603 0.000 1.092 516 S HN 1.293 nan 8.310 nan 0.000 0.457 517 S N 0.736 116.260 115.700 -0.294 0.000 3.593 517 S HA 0.272 4.742 4.470 0.001 0.000 0.224 517 S C 0.360 175.070 174.600 0.183 0.000 1.333 517 S CA -0.098 58.156 58.200 0.091 0.000 1.164 517 S CB -1.369 61.933 63.200 0.171 0.000 1.281 517 S HN 0.819 nan 8.310 nan 0.000 0.457 518 H N -0.738 118.280 119.070 -0.087 0.000 3.899 518 H HA 0.221 4.777 4.556 0.001 0.000 0.260 518 H C -0.267 175.017 175.328 -0.074 0.000 1.122 518 H CA -0.190 55.810 56.048 -0.080 0.000 1.165 518 H CB 0.572 30.277 29.762 -0.095 0.000 1.503 518 H HN 0.536 nan 8.280 nan 0.000 0.671 519 E N 2.175 122.405 120.200 0.051 0.000 2.129 519 E HA 0.157 4.508 4.350 0.001 0.000 0.268 519 E C 0.861 177.480 176.600 0.031 0.000 0.900 519 E CA -0.377 56.041 56.400 0.030 0.000 0.755 519 E CB 1.650 31.381 29.700 0.051 0.000 1.117 519 E HN 0.014 nan 8.360 nan 0.000 0.410 520 K N 3.195 123.539 120.400 -0.093 0.000 2.049 520 K HA -0.242 4.079 4.320 0.001 0.000 0.219 520 K C 0.303 176.757 176.600 -0.244 0.000 1.056 520 K CA 1.876 58.000 56.287 -0.272 0.000 0.946 520 K CB -0.190 31.943 32.500 -0.612 0.000 0.723 520 K HN 0.592 nan 8.250 nan 0.000 0.453 521 Y N -0.790 119.508 120.300 -0.002 0.000 2.547 521 Y HA 0.103 4.653 4.550 0.001 0.000 0.325 521 Y C -0.204 175.739 175.900 0.073 0.000 1.165 521 Y CA -0.604 57.489 58.100 -0.012 0.000 1.300 521 Y CB -0.748 37.703 38.460 -0.015 0.000 1.126 521 Y HN 0.110 nan 8.280 nan 0.000 0.513 522 Y N 0.533 120.878 120.300 0.075 0.000 2.352 522 Y HA 0.618 5.168 4.550 0.000 0.000 0.326 522 Y C 0.710 176.626 175.900 0.026 0.000 1.166 522 Y CA 0.013 58.143 58.100 0.050 0.000 1.182 522 Y CB 0.782 39.257 38.460 0.026 0.000 1.216 522 Y HN 0.321 nan 8.280 nan 0.000 0.474 523 G N 3.324 111.736 108.800 -0.647 0.000 2.710 523 G HA2 -0.306 3.655 3.960 0.001 0.000 0.668 523 G HA3 -0.306 3.655 3.960 0.001 0.000 0.668 523 G C -0.359 174.387 174.900 -0.257 0.000 1.320 523 G CA -0.095 44.640 45.100 -0.608 0.000 0.860 523 G HN 0.780 nan 8.290 nan 0.000 0.538 524 Y N -0.264 119.945 120.300 -0.153 0.000 2.165 524 Y HA -0.081 4.469 4.550 0.000 0.000 0.286 524 Y C 3.407 179.252 175.900 -0.092 0.000 1.155 524 Y CA 2.413 60.446 58.100 -0.112 0.000 1.164 524 Y CB -0.893 37.477 38.460 -0.150 0.000 0.978 524 Y HN 0.581 nan 8.280 nan 0.000 0.513 525 T N -0.456 114.168 114.554 0.118 0.000 2.857 525 T HA -0.075 4.275 4.350 0.001 0.000 0.266 525 T C 2.251 176.936 174.700 -0.024 0.000 1.048 525 T CA 1.171 63.321 62.100 0.084 0.000 1.139 525 T CB -0.807 68.146 68.868 0.142 0.000 0.874 525 T HN 0.610 nan 8.240 nan 0.000 0.455 526 G N 0.939 109.729 108.800 -0.016 0.000 2.440 526 G HA2 -0.077 3.883 3.960 0.001 0.000 0.218 526 G HA3 -0.077 3.883 3.960 0.001 0.000 0.218 526 G C 1.580 176.490 174.900 0.017 0.000 1.154 526 G CA 0.868 45.967 45.100 -0.000 0.000 0.767 526 G HN 0.571 nan 8.290 nan 0.000 0.552 527 A N -0.524 122.283 122.820 -0.023 0.000 2.218 527 A HA 0.463 4.783 4.320 0.001 0.000 0.209 527 A C 2.113 179.610 177.584 -0.145 0.000 1.168 527 A CA 0.704 52.694 52.037 -0.079 0.000 0.804 527 A CB -0.075 18.901 19.000 -0.040 0.000 0.834 527 A HN 0.365 nan 8.150 nan 0.000 0.482 528 L N -0.600 120.538 121.223 -0.141 0.000 2.127 528 L HA 0.106 4.447 4.340 0.001 0.000 0.203 528 L C 2.378 179.123 176.870 -0.209 0.000 1.080 528 L CA 1.589 56.334 54.840 -0.157 0.000 0.768 528 L CB -0.332 41.677 42.059 -0.082 0.000 0.924 528 L HN 0.417 nan 8.230 nan 0.000 0.444 529 R N -0.896 119.289 120.500 -0.524 0.000 2.117 529 R HA -0.254 4.086 4.340 0.001 0.000 0.243 529 R C 2.510 178.703 176.300 -0.178 0.000 1.143 529 R CA 2.016 57.654 56.100 -0.771 0.000 0.968 529 R CB -0.942 28.768 30.300 -0.983 0.000 0.863 529 R HN 0.658 nan 8.270 nan 0.000 0.444 530 c N 0.309 118.772 118.600 -0.227 0.000 2.453 530 c HA -0.032 4.538 4.570 0.001 0.000 0.277 530 c C 2.568 176.495 174.090 -0.270 0.000 1.262 530 c CA 0.571 56.559 56.329 -0.568 0.000 1.718 530 c CB -1.192 40.806 42.510 -0.854 0.000 2.031 530 c HN 0.661 nan 8.230 nan 0.000 0.480 531 L N 0.578 121.695 121.223 -0.177 0.000 1.951 531 L HA -0.192 4.148 4.340 0.001 0.000 0.222 531 L C 2.723 179.624 176.870 0.052 0.000 1.078 531 L CA 2.534 57.334 54.840 -0.066 0.000 0.778 531 L CB -0.877 41.157 42.059 -0.041 0.000 0.893 531 L HN 0.306 nan 8.230 nan 0.000 0.436 532 V N 0.119 120.128 119.914 0.159 0.000 2.233 532 V HA -0.395 3.725 4.120 0.001 0.000 0.252 532 V C 2.377 178.570 176.094 0.165 0.000 1.063 532 V CA 2.569 65.025 62.300 0.260 0.000 1.032 532 V CB -0.593 31.509 31.823 0.464 0.000 0.645 532 V HN 0.561 nan 8.190 nan 0.000 0.446 533 E N -1.639 118.633 120.200 0.118 0.000 2.140 533 E HA -0.109 4.241 4.350 0.001 0.000 0.191 533 E C 2.029 178.659 176.600 0.050 0.000 0.973 533 E CA 0.968 57.435 56.400 0.111 0.000 0.829 533 E CB 0.142 29.953 29.700 0.185 0.000 0.781 533 E HN 0.632 nan 8.360 nan 0.000 0.466 534 Q N -0.532 119.245 119.800 -0.037 0.000 2.536 534 Q HA 0.152 4.493 4.340 0.001 0.000 0.212 534 Q C 0.757 176.709 176.000 -0.080 0.000 0.743 534 Q CA 0.259 56.028 55.803 -0.055 0.000 0.929 534 Q CB 0.765 29.456 28.738 -0.079 0.000 1.313 534 Q HN 0.158 nan 8.270 nan 0.000 0.524 535 G N 0.627 109.338 108.800 -0.149 0.000 2.760 535 G HA2 -0.100 3.860 3.960 0.001 0.000 0.236 535 G HA3 -0.100 3.860 3.960 0.001 0.000 0.236 535 G C -0.333 174.504 174.900 -0.106 0.000 1.243 535 G CA 0.250 45.253 45.100 -0.163 0.000 0.850 535 G HN 0.178 nan 8.290 nan 0.000 0.595 536 D N -1.362 118.962 120.400 -0.126 0.000 2.470 536 D HA 0.113 4.754 4.640 0.001 0.000 0.238 536 D C 0.930 177.158 176.300 -0.121 0.000 1.054 536 D CA 0.525 54.481 54.000 -0.074 0.000 0.896 536 D CB 0.779 41.562 40.800 -0.027 0.000 1.118 536 D HN 0.260 nan 8.370 nan 0.000 0.497 537 V N -0.319 119.437 119.914 -0.263 0.000 2.914 537 V HA 0.911 5.031 4.120 0.001 0.000 0.314 537 V C -0.628 175.130 176.094 -0.560 0.000 1.084 537 V CA -1.468 60.564 62.300 -0.446 0.000 0.963 537 V CB 1.989 33.410 31.823 -0.670 0.000 1.025 537 V HN 0.012 nan 8.190 nan 0.000 0.432 538 A N 2.414 124.877 122.820 -0.594 0.000 2.375 538 A HA 0.866 5.187 4.320 0.001 0.000 0.295 538 A C -1.373 175.916 177.584 -0.490 0.000 1.066 538 A CA -0.297 51.458 52.037 -0.470 0.000 0.722 538 A CB 0.793 19.637 19.000 -0.261 0.000 1.206 538 A HN 0.629 nan 8.150 nan 0.000 0.435 539 F N 2.632 122.531 119.950 -0.085 0.000 2.361 539 F HA 0.747 5.274 4.527 0.000 0.000 0.364 539 F C 0.146 175.996 175.800 0.083 0.000 1.120 539 F CA -0.465 57.551 58.000 0.027 0.000 1.102 539 F CB 1.004 40.036 39.000 0.053 0.000 1.183 539 F HN 0.455 nan 8.300 nan 0.000 0.476 540 I N 1.739 122.476 120.570 0.278 0.000 3.434 540 I HA 0.359 4.529 4.170 0.001 0.000 0.317 540 I C -1.118 175.132 176.117 0.222 0.000 1.230 540 I CA -1.032 60.420 61.300 0.253 0.000 0.918 540 I CB 2.407 40.474 38.000 0.111 0.000 1.337 540 I HN 0.475 nan 8.210 nan 0.000 0.482 541 K N -0.219 120.212 120.400 0.051 0.000 2.168 541 K HA 0.382 4.702 4.320 0.001 0.000 0.239 541 K C 0.584 177.035 176.600 -0.247 0.000 0.999 541 K CA -0.219 56.005 56.287 -0.104 0.000 0.900 541 K CB 0.858 33.057 32.500 -0.501 0.000 1.111 541 K HN 0.701 nan 8.250 nan 0.000 0.452 542 H N -1.104 117.733 119.070 -0.388 0.000 2.518 542 H HA -0.085 4.472 4.556 0.001 0.000 0.292 542 H C 0.749 175.647 175.328 -0.716 0.000 1.068 542 H CA 1.623 57.098 56.048 -0.956 0.000 1.275 542 H CB -0.052 28.904 29.762 -1.342 0.000 1.375 542 H HN 0.600 nan 8.280 nan 0.000 0.563 543 S N -2.149 113.154 115.700 -0.661 0.000 2.603 543 S HA 0.099 4.569 4.470 0.001 0.000 0.232 543 S C 1.460 175.854 174.600 -0.344 0.000 1.016 543 S CA 0.003 57.941 58.200 -0.436 0.000 0.976 543 S CB 0.053 62.915 63.200 -0.563 0.000 0.921 543 S HN 0.376 nan 8.310 nan 0.000 0.516 544 T N 3.686 118.011 114.554 -0.382 0.000 2.607 544 T HA -0.153 4.198 4.350 0.001 0.000 0.267 544 T C 2.004 176.621 174.700 -0.139 0.000 1.049 544 T CA 2.122 64.056 62.100 -0.277 0.000 1.162 544 T CB -0.882 67.856 68.868 -0.216 0.000 0.863 544 T HN 0.405 nan 8.240 nan 0.000 0.424 545 V N 1.602 121.448 119.914 -0.113 0.000 2.219 545 V HA -0.115 4.005 4.120 0.001 0.000 0.248 545 V C 2.630 178.725 176.094 0.001 0.000 1.053 545 V CA 1.912 64.171 62.300 -0.069 0.000 1.009 545 V CB -1.680 30.133 31.823 -0.016 0.000 0.636 545 V HN 0.572 nan 8.190 nan 0.000 0.445 546 G N -0.903 107.909 108.800 0.020 0.000 3.262 546 G HA2 0.025 3.986 3.960 0.001 0.000 0.222 546 G HA3 0.025 3.986 3.960 0.001 0.000 0.222 546 G C 1.029 175.913 174.900 -0.027 0.000 1.269 546 G CA 0.612 45.725 45.100 0.022 0.000 1.032 546 G HN 0.670 nan 8.290 nan 0.000 0.502 547 E N -0.857 119.313 120.200 -0.050 0.000 2.535 547 E HA 0.060 4.410 4.350 0.001 0.000 0.216 547 E C 0.876 177.454 176.600 -0.036 0.000 0.845 547 E CA -0.152 56.208 56.400 -0.066 0.000 1.306 547 E CB 0.439 30.066 29.700 -0.122 0.000 1.291 547 E HN 0.271 nan 8.360 nan 0.000 0.635 548 N N 0.052 118.740 118.700 -0.019 0.000 2.159 548 N HA 0.070 4.810 4.740 0.001 0.000 0.217 548 N C 0.922 176.382 175.510 -0.083 0.000 1.223 548 N CA 0.147 53.183 53.050 -0.024 0.000 0.896 548 N CB 1.889 40.422 38.487 0.077 0.000 1.064 548 N HN -0.045 nan 8.380 nan 0.000 0.518 549 V N 0.423 120.320 119.914 -0.029 0.000 2.523 549 V HA 0.109 4.229 4.120 0.001 0.000 0.226 549 V C 0.915 176.995 176.094 -0.023 0.000 1.107 549 V CA 1.015 63.318 62.300 0.005 0.000 1.121 549 V CB 0.003 31.887 31.823 0.102 0.000 0.753 549 V HN 0.027 nan 8.190 nan 0.000 0.497 550 S N 0.310 116.005 115.700 -0.008 0.000 3.812 550 S HA 0.444 4.914 4.470 0.001 0.000 0.195 550 S C 0.783 175.365 174.600 -0.030 0.000 1.460 550 S CA 0.613 58.803 58.200 -0.017 0.000 1.052 550 S CB -0.159 63.040 63.200 -0.002 0.000 1.385 550 S HN 0.997 nan 8.310 nan 0.000 0.490 551 G N 0.783 109.553 108.800 -0.050 0.000 2.157 551 G HA2 -0.271 3.690 3.960 0.001 0.000 0.239 551 G HA3 -0.271 3.690 3.960 0.001 0.000 0.239 551 G C 0.878 175.746 174.900 -0.053 0.000 0.982 551 G CA 0.424 45.492 45.100 -0.054 0.000 0.650 551 G HN 0.604 nan 8.290 nan 0.000 0.527 552 S N -0.670 114.997 115.700 -0.055 0.000 2.404 552 S HA 0.095 4.566 4.470 0.001 0.000 0.223 552 S C 0.869 175.434 174.600 -0.058 0.000 1.040 552 S CA 0.752 58.925 58.200 -0.046 0.000 0.957 552 S CB 0.155 63.334 63.200 -0.036 0.000 0.826 552 S HN 0.689 nan 8.310 nan 0.000 0.491 553 N N 1.278 119.920 118.700 -0.097 0.000 2.426 553 N HA 0.188 4.929 4.740 0.001 0.000 0.275 553 N C -0.543 174.860 175.510 -0.179 0.000 1.019 553 N CA -0.233 52.740 53.050 -0.128 0.000 0.941 553 N CB 0.429 38.824 38.487 -0.153 0.000 1.123 553 N HN 0.074 nan 8.380 nan 0.000 0.486 554 K N 1.920 122.248 120.400 -0.120 0.000 2.593 554 K HA 0.174 4.495 4.320 0.001 0.000 0.208 554 K C -0.731 175.819 176.600 -0.084 0.000 1.051 554 K CA -0.323 55.906 56.287 -0.096 0.000 1.111 554 K CB 0.511 32.981 32.500 -0.050 0.000 0.849 554 K HN 0.554 nan 8.250 nan 0.000 0.479 555 D N 0.885 121.199 120.400 -0.144 0.000 2.432 555 D HA 0.067 4.707 4.640 0.001 0.000 0.258 555 D C 0.451 176.661 176.300 -0.150 0.000 1.146 555 D CA -0.075 53.885 54.000 -0.067 0.000 1.015 555 D CB 1.291 42.164 40.800 0.122 0.000 1.107 555 D HN 0.034 nan 8.370 nan 0.000 0.529 556 D N 0.255 120.650 120.400 -0.007 0.000 2.249 556 D HA -0.064 4.576 4.640 0.001 0.000 0.205 556 D C 2.074 178.385 176.300 0.018 0.000 0.962 556 D CA 0.432 54.432 54.000 0.000 0.000 0.860 556 D CB 0.080 40.909 40.800 0.049 0.000 0.955 556 D HN 0.632 nan 8.370 nan 0.000 0.505 557 W N 1.750 123.074 121.300 0.040 0.000 2.388 557 W HA 0.086 4.746 4.660 -0.000 0.000 0.294 557 W C 1.421 177.982 176.519 0.070 0.000 1.212 557 W CA 1.114 58.493 57.345 0.058 0.000 1.271 557 W CB -0.661 28.841 29.460 0.069 0.000 1.126 557 W HN -0.099 nan 8.180 nan 0.000 0.535 558 A N 0.732 122.897 122.820 -1.092 0.000 2.252 558 A HA 0.068 4.389 4.320 0.001 0.000 0.213 558 A C 2.056 179.325 177.584 -0.525 0.000 1.188 558 A CA 0.558 51.854 52.037 -1.235 0.000 0.863 558 A CB -0.449 17.446 19.000 -1.842 0.000 0.893 558 A HN 0.223 nan 8.150 nan 0.000 0.495 559 K N 0.094 120.283 120.400 -0.352 0.000 2.015 559 K HA -0.195 4.125 4.320 0.001 0.000 0.216 559 K C 1.985 178.507 176.600 -0.130 0.000 1.052 559 K CA 1.947 58.121 56.287 -0.187 0.000 0.937 559 K CB -0.503 31.930 32.500 -0.110 0.000 0.719 559 K HN 0.399 nan 8.250 nan 0.000 0.446 560 G N 1.127 109.868 108.800 -0.098 0.000 2.408 560 G HA2 -0.106 3.855 3.960 0.001 0.000 0.217 560 G HA3 -0.106 3.855 3.960 0.001 0.000 0.217 560 G C 0.609 175.471 174.900 -0.063 0.000 1.150 560 G CA 0.237 45.299 45.100 -0.062 0.000 0.776 560 G HN 0.189 nan 8.290 nan 0.000 0.542 561 L N 0.324 121.504 121.223 -0.071 0.000 2.587 561 L HA 0.083 4.424 4.340 0.001 0.000 0.315 561 L C 0.587 177.446 176.870 -0.017 0.000 1.288 561 L CA 0.619 55.441 54.840 -0.030 0.000 0.849 561 L CB 0.014 42.066 42.059 -0.012 0.000 1.080 561 L HN 0.103 nan 8.230 nan 0.000 0.541 562 T N -0.259 114.302 114.554 0.012 0.000 2.802 562 T HA 0.243 4.594 4.350 0.001 0.000 0.311 562 T C 0.431 175.170 174.700 0.064 0.000 1.405 562 T CA -0.764 61.345 62.100 0.014 0.000 1.016 562 T CB 1.574 70.425 68.868 -0.029 0.000 1.352 562 T HN 0.719 nan 8.240 nan 0.000 0.498 563 R N 0.829 121.382 120.500 0.088 0.000 2.307 563 R HA 0.051 4.391 4.340 0.001 0.000 0.199 563 R C 1.105 177.442 176.300 0.062 0.000 1.000 563 R CA 1.592 57.786 56.100 0.157 0.000 1.023 563 R CB -0.342 30.034 30.300 0.126 0.000 0.908 563 R HN 0.605 nan 8.270 nan 0.000 0.473 564 D N 1.784 122.168 120.400 -0.027 0.000 2.149 564 D HA -0.168 4.472 4.640 0.001 0.000 0.201 564 D C 0.755 176.954 176.300 -0.169 0.000 0.972 564 D CA 1.400 55.357 54.000 -0.072 0.000 0.835 564 D CB -0.067 40.695 40.800 -0.062 0.000 0.966 564 D HN 0.231 nan 8.370 nan 0.000 0.476 565 D N -0.889 119.318 120.400 -0.321 0.000 2.263 565 D HA -0.015 4.625 4.640 0.001 0.000 0.208 565 D C -0.092 175.694 176.300 -0.857 0.000 0.971 565 D CA 0.735 54.365 54.000 -0.616 0.000 0.867 565 D CB -0.182 40.133 40.800 -0.809 0.000 0.929 565 D HN 0.304 nan 8.370 nan 0.000 0.492 566 F N 0.379 120.339 119.950 0.017 0.000 2.538 566 F HA 0.489 5.016 4.527 0.000 0.000 0.325 566 F C 0.594 176.397 175.800 0.006 0.000 1.066 566 F CA -1.118 56.894 58.000 0.019 0.000 0.946 566 F CB 1.577 40.600 39.000 0.038 0.000 1.199 566 F HN -0.333 nan 8.300 nan 0.000 0.473 567 E N 1.215 121.527 120.200 0.185 0.000 2.433 567 E HA 0.583 4.933 4.350 0.001 0.000 0.273 567 E C -1.774 174.888 176.600 0.103 0.000 0.950 567 E CA -1.095 55.361 56.400 0.093 0.000 0.796 567 E CB 2.813 32.541 29.700 0.047 0.000 1.330 567 E HN 0.192 nan 8.360 nan 0.000 0.455 568 L N 0.971 122.220 121.223 0.042 0.000 2.334 568 L HA 0.425 4.766 4.340 0.001 0.000 0.272 568 L C -0.514 176.382 176.870 0.043 0.000 1.020 568 L CA -0.544 54.321 54.840 0.042 0.000 0.812 568 L CB 1.153 43.199 42.059 -0.021 0.000 1.264 568 L HN 0.397 nan 8.230 nan 0.000 0.439 569 L N 2.007 123.274 121.223 0.073 0.000 2.272 569 L HA 0.393 4.733 4.340 0.001 0.000 0.289 569 L C -0.495 176.384 176.870 0.014 0.000 1.032 569 L CA -0.439 54.462 54.840 0.102 0.000 0.810 569 L CB 1.332 43.524 42.059 0.221 0.000 1.205 569 L HN 0.597 nan 8.230 nan 0.000 0.422 570 c N 0.923 119.520 118.600 -0.006 0.000 2.443 570 c HA 0.200 4.770 4.570 0.001 0.000 0.369 570 c C 2.004 176.005 174.090 -0.148 0.000 1.241 570 c CA -0.292 55.977 56.329 -0.100 0.000 2.413 570 c CB 1.303 43.764 42.510 -0.082 0.000 2.451 570 c HN 0.920 nan 8.230 nan 0.000 0.595 571 T N -0.492 113.891 114.554 -0.286 0.000 3.023 571 T HA -0.121 4.230 4.350 0.001 0.000 0.266 571 T C 1.215 175.911 174.700 -0.007 0.000 1.093 571 T CA 1.322 63.181 62.100 -0.402 0.000 1.129 571 T CB -0.452 68.142 68.868 -0.457 0.000 0.899 571 T HN 0.778 nan 8.240 nan 0.000 0.491 572 N N 1.912 120.605 118.700 -0.011 0.000 2.550 572 N HA 0.178 4.918 4.740 0.001 0.000 0.186 572 N C 1.575 177.139 175.510 0.090 0.000 1.110 572 N CA 1.176 54.249 53.050 0.039 0.000 0.912 572 N CB -0.589 37.895 38.487 -0.006 0.000 0.968 572 N HN 0.681 nan 8.380 nan 0.000 0.448 573 G N -0.601 108.284 108.800 0.142 0.000 2.376 573 G HA2 -0.263 3.697 3.960 0.001 0.000 0.208 573 G HA3 -0.263 3.697 3.960 0.001 0.000 0.208 573 G C 0.069 175.044 174.900 0.125 0.000 1.032 573 G CA 0.034 45.233 45.100 0.166 0.000 0.641 573 G HN 0.493 nan 8.290 nan 0.000 0.503 574 K N 0.589 121.031 120.400 0.071 0.000 2.159 574 K HA 0.635 4.956 4.320 0.001 0.000 0.242 574 K C 0.812 177.435 176.600 0.038 0.000 1.043 574 K CA 0.201 56.511 56.287 0.039 0.000 0.856 574 K CB 0.300 32.805 32.500 0.007 0.000 1.072 574 K HN 0.325 nan 8.250 nan 0.000 0.514 575 R N -0.911 119.598 120.500 0.015 0.000 2.855 575 R HA 0.765 5.106 4.340 0.001 0.000 0.266 575 R C -1.237 175.047 176.300 -0.027 0.000 1.034 575 R CA -0.985 55.120 56.100 0.008 0.000 0.944 575 R CB 2.220 32.532 30.300 0.021 0.000 1.219 575 R HN 0.700 nan 8.270 nan 0.000 0.474 576 A N 0.964 123.761 122.820 -0.038 0.000 2.536 576 A HA 0.472 4.792 4.320 0.001 0.000 0.293 576 A C -1.688 175.853 177.584 -0.072 0.000 1.119 576 A CA -0.711 51.284 52.037 -0.071 0.000 0.654 576 A CB 1.345 20.276 19.000 -0.116 0.000 1.291 576 A HN 0.447 nan 8.150 nan 0.000 0.439 577 K N 0.499 120.841 120.400 -0.096 0.000 2.350 577 K HA 0.380 4.701 4.320 0.001 0.000 0.279 577 K C 1.554 178.053 176.600 -0.169 0.000 1.027 577 K CA 0.874 57.105 56.287 -0.093 0.000 0.969 577 K CB 0.694 33.141 32.500 -0.087 0.000 0.954 577 K HN 0.912 nan 8.250 nan 0.000 0.474 578 T N 1.941 116.440 114.554 -0.092 0.000 2.597 578 T HA -0.284 4.067 4.350 0.001 0.000 0.267 578 T C 1.666 176.183 174.700 -0.305 0.000 1.053 578 T CA 1.620 63.650 62.100 -0.116 0.000 1.165 578 T CB -0.400 68.543 68.868 0.125 0.000 0.863 578 T HN 0.679 nan 8.240 nan 0.000 0.427 579 M N 2.168 121.692 119.600 -0.126 0.000 2.851 579 M HA -0.034 4.446 4.480 0.001 0.000 0.229 579 M C -0.241 175.938 176.300 -0.200 0.000 1.001 579 M CA 0.843 56.092 55.300 -0.085 0.000 1.084 579 M CB -0.556 32.036 32.600 -0.014 0.000 1.494 579 M HN 0.363 nan 8.290 nan 0.000 0.563 580 D N -0.835 119.304 120.400 -0.436 0.000 2.375 580 D HA 0.087 4.728 4.640 0.001 0.000 0.259 580 D C -0.558 175.334 176.300 -0.681 0.000 1.235 580 D CA -0.365 53.394 54.000 -0.403 0.000 0.924 580 D CB 0.410 41.043 40.800 -0.277 0.000 1.143 580 D HN 0.067 nan 8.370 nan 0.000 0.529 581 Y N 2.143 122.328 120.300 -0.191 0.000 2.464 581 Y HA 0.190 4.740 4.550 0.001 0.000 0.288 581 Y C 2.141 177.786 175.900 -0.426 0.000 1.133 581 Y CA 0.471 58.383 58.100 -0.314 0.000 1.223 581 Y CB 0.265 38.447 38.460 -0.463 0.000 1.187 581 Y HN 0.250 nan 8.280 nan 0.000 0.539 582 K N -0.914 119.283 120.400 -0.337 0.000 2.211 582 K HA -0.118 4.202 4.320 0.001 0.000 0.204 582 K C 1.596 178.102 176.600 -0.156 0.000 1.047 582 K CA 1.814 57.919 56.287 -0.303 0.000 0.935 582 K CB -0.282 32.109 32.500 -0.182 0.000 0.728 582 K HN 0.141 nan 8.250 nan 0.000 0.452 583 T N -0.599 113.828 114.554 -0.212 0.000 3.037 583 T HA 0.040 4.390 4.350 0.001 0.000 0.252 583 T C 0.097 174.611 174.700 -0.311 0.000 1.073 583 T CA 0.344 62.307 62.100 -0.227 0.000 1.091 583 T CB 0.205 68.978 68.868 -0.159 0.000 0.935 583 T HN 0.227 nan 8.240 nan 0.000 0.488 584 c N 4.037 122.432 118.600 -0.342 0.000 3.233 584 c HA 0.484 5.054 4.570 0.001 0.000 0.299 584 c C -0.637 173.336 174.090 -0.195 0.000 1.060 584 c CA -0.768 55.380 56.329 -0.302 0.000 1.382 584 c CB -1.056 41.331 42.510 -0.206 0.000 1.828 584 c HN 0.643 nan 8.230 nan 0.000 0.530 585 H N 2.280 121.316 119.070 -0.056 0.000 2.907 585 H HA 0.450 5.006 4.556 0.001 0.000 0.361 585 H C 0.031 175.349 175.328 -0.018 0.000 1.194 585 H CA -0.873 55.201 56.048 0.043 0.000 1.152 585 H CB 1.043 30.887 29.762 0.137 0.000 1.867 585 H HN 0.316 nan 8.280 nan 0.000 0.561 586 L N -0.236 121.117 121.223 0.217 0.000 2.131 586 L HA 0.248 4.588 4.340 0.001 0.000 0.206 586 L C 0.765 177.729 176.870 0.157 0.000 1.087 586 L CA 1.349 56.221 54.840 0.053 0.000 0.767 586 L CB -0.098 41.962 42.059 0.002 0.000 0.917 586 L HN 0.863 nan 8.230 nan 0.000 0.441 587 A N -0.686 122.287 122.820 0.254 0.000 2.549 587 A HA 0.222 4.543 4.320 0.001 0.000 0.297 587 A C -1.045 176.483 177.584 -0.092 0.000 0.983 587 A CA -0.697 51.427 52.037 0.144 0.000 0.654 587 A CB 0.637 19.669 19.000 0.054 0.000 1.319 587 A HN -0.036 nan 8.150 nan 0.000 0.428 588 K N 1.224 121.460 120.400 -0.274 0.000 2.316 588 K HA 0.556 4.877 4.320 0.001 0.000 0.289 588 K C -1.284 175.002 176.600 -0.524 0.000 1.070 588 K CA -0.095 55.818 56.287 -0.624 0.000 0.928 588 K CB 0.732 32.847 32.500 -0.641 0.000 1.039 588 K HN 0.657 nan 8.250 nan 0.000 0.480 589 V N 6.921 126.478 119.914 -0.595 0.000 2.789 589 V HA 0.439 4.559 4.120 0.001 0.000 0.311 589 V C -2.302 173.432 176.094 -0.600 0.000 1.073 589 V CA -2.344 59.595 62.300 -0.602 0.000 0.921 589 V CB 2.282 33.706 31.823 -0.666 0.000 1.009 589 V HN 0.829 nan 8.190 nan 0.000 0.426 590 P HA 0.104 nan 4.420 nan 0.000 0.268 590 P C -0.037 177.087 177.300 -0.294 0.000 1.208 590 P CA 0.226 63.106 63.100 -0.367 0.000 0.777 590 P CB 0.256 31.688 31.700 -0.446 0.000 0.875 591 T N -0.302 114.237 114.554 -0.025 0.000 2.698 591 T HA 0.114 4.464 4.350 0.001 0.000 0.295 591 T C 0.552 175.637 174.700 0.641 0.000 1.007 591 T CA -0.328 62.017 62.100 0.408 0.000 0.980 591 T CB -0.184 68.874 68.868 0.316 0.000 1.036 591 T HN 0.356 nan 8.240 nan 0.000 0.526 592 H N -0.008 119.350 119.070 0.479 0.000 2.652 592 H HA 0.528 5.084 4.556 0.000 0.000 0.349 592 H C 0.118 175.617 175.328 0.284 0.000 1.099 592 H CA -0.528 55.758 56.048 0.396 0.000 1.417 592 H CB 0.840 30.834 29.762 0.388 0.000 1.457 592 H HN 0.888 nan 8.280 nan 0.000 0.568 593 A N 2.645 125.616 122.820 0.251 0.000 2.539 593 A HA 0.395 4.715 4.320 0.001 0.000 0.296 593 A C -0.724 176.890 177.584 0.050 0.000 1.073 593 A CA -0.720 51.339 52.037 0.036 0.000 0.700 593 A CB 1.607 20.372 19.000 -0.393 0.000 1.296 593 A HN 0.516 nan 8.150 nan 0.000 0.405 594 V N 1.883 121.840 119.914 0.071 0.000 2.465 594 V HA 0.750 4.870 4.120 0.001 0.000 0.279 594 V C -0.110 175.963 176.094 -0.036 0.000 1.045 594 V CA -0.062 62.281 62.300 0.072 0.000 0.938 594 V CB 0.949 32.910 31.823 0.230 0.000 0.986 594 V HN 1.617 nan 8.190 nan 0.000 0.467 595 V N 3.650 123.516 119.914 -0.079 0.000 2.628 595 V HA 1.082 5.202 4.120 0.001 0.000 0.306 595 V C 0.014 176.026 176.094 -0.135 0.000 1.045 595 V CA 0.039 62.280 62.300 -0.099 0.000 0.905 595 V CB 0.816 32.591 31.823 -0.080 0.000 0.997 595 V HN 1.886 nan 8.190 nan 0.000 0.436 596 A N 3.761 126.510 122.820 -0.118 0.000 2.602 596 A HA 0.794 5.114 4.320 0.001 0.000 0.290 596 A C -0.366 177.142 177.584 -0.128 0.000 1.114 596 A CA -1.285 50.667 52.037 -0.141 0.000 0.683 596 A CB 1.345 20.262 19.000 -0.137 0.000 1.281 596 A HN 0.946 nan 8.150 nan 0.000 0.416 597 R N 0.906 121.310 120.500 -0.159 0.000 2.698 597 R HA 0.194 4.534 4.340 0.001 0.000 0.266 597 R C -1.647 174.589 176.300 -0.107 0.000 1.026 597 R CA -0.854 55.153 56.100 -0.155 0.000 1.102 597 R CB 0.271 30.428 30.300 -0.238 0.000 0.978 597 R HN 0.484 nan 8.270 nan 0.000 0.436 598 P HA -0.170 nan 4.420 nan 0.000 0.221 598 P C 0.023 177.302 177.300 -0.035 0.000 1.145 598 P CA 1.366 64.441 63.100 -0.042 0.000 0.795 598 P CB 0.297 31.983 31.700 -0.024 0.000 0.775 599 E N -0.035 120.138 120.200 -0.044 0.000 2.112 599 E HA -0.066 4.285 4.350 0.001 0.000 0.190 599 E C 2.017 178.596 176.600 -0.035 0.000 0.979 599 E CA 0.830 57.214 56.400 -0.026 0.000 0.814 599 E CB -0.560 29.135 29.700 -0.009 0.000 0.762 599 E HN 0.140 nan 8.360 nan 0.000 0.460 600 K N 0.521 120.883 120.400 -0.063 0.000 2.296 600 K HA 0.167 4.488 4.320 0.001 0.000 0.200 600 K C 1.904 178.480 176.600 -0.040 0.000 1.048 600 K CA 0.820 57.070 56.287 -0.062 0.000 0.966 600 K CB -0.050 32.387 32.500 -0.105 0.000 0.754 600 K HN 0.154 nan 8.250 nan 0.000 0.466 601 A N 0.978 123.777 122.820 -0.035 0.000 2.125 601 A HA -0.135 4.185 4.320 0.001 0.000 0.219 601 A C 1.620 179.206 177.584 0.003 0.000 1.156 601 A CA 1.445 53.471 52.037 -0.019 0.000 0.671 601 A CB -0.485 18.501 19.000 -0.023 0.000 0.794 601 A HN 0.378 nan 8.150 nan 0.000 0.459 602 N N -1.298 117.406 118.700 0.006 0.000 2.254 602 N HA 0.033 4.773 4.740 0.001 0.000 0.190 602 N C 1.310 176.834 175.510 0.024 0.000 1.107 602 N CA 0.623 53.683 53.050 0.017 0.000 0.869 602 N CB 0.157 38.652 38.487 0.013 0.000 0.983 602 N HN 0.661 nan 8.380 nan 0.000 0.487 603 K N -0.538 119.875 120.400 0.023 0.000 2.402 603 K HA 0.229 4.550 4.320 0.001 0.000 0.204 603 K C 1.002 177.630 176.600 0.046 0.000 1.056 603 K CA 0.040 56.346 56.287 0.030 0.000 1.069 603 K CB 0.325 32.837 32.500 0.020 0.000 0.888 603 K HN -0.024 nan 8.250 nan 0.000 0.546 604 I N 1.828 122.428 120.570 0.050 0.000 2.235 604 I HA -0.080 4.090 4.170 0.001 0.000 0.241 604 I C 2.686 178.881 176.117 0.130 0.000 1.085 604 I CA 0.904 62.257 61.300 0.088 0.000 1.378 604 I CB -0.032 38.009 38.000 0.068 0.000 1.076 604 I HN 0.171 nan 8.210 nan 0.000 0.415 605 R N 0.869 121.429 120.500 0.100 0.000 2.117 605 R HA -0.230 4.110 4.340 0.001 0.000 0.243 605 R C 1.862 178.221 176.300 0.098 0.000 1.143 605 R CA 1.901 58.061 56.100 0.101 0.000 0.968 605 R CB -0.069 30.270 30.300 0.066 0.000 0.863 605 R HN 0.416 nan 8.270 nan 0.000 0.444 606 E N -0.387 119.862 120.200 0.082 0.000 2.340 606 E HA -0.080 4.271 4.350 0.001 0.000 0.194 606 E C 1.685 178.337 176.600 0.088 0.000 0.996 606 E CA 0.371 56.815 56.400 0.072 0.000 0.869 606 E CB 0.028 29.759 29.700 0.051 0.000 0.835 606 E HN 0.197 nan 8.360 nan 0.000 0.493 607 L N 1.021 122.307 121.223 0.105 0.000 1.976 607 L HA -0.166 4.174 4.340 0.001 0.000 0.209 607 L C 1.933 178.910 176.870 0.178 0.000 1.071 607 L CA 1.733 56.647 54.840 0.123 0.000 0.746 607 L CB -0.322 41.811 42.059 0.124 0.000 0.890 607 L HN 0.119 nan 8.230 nan 0.000 0.432 608 L N -0.492 120.865 121.223 0.223 0.000 2.265 608 L HA -0.197 4.143 4.340 0.001 0.000 0.215 608 L C 2.544 179.518 176.870 0.174 0.000 1.117 608 L CA 1.497 56.493 54.840 0.259 0.000 0.782 608 L CB -0.663 41.587 42.059 0.319 0.000 0.914 608 L HN 0.532 nan 8.230 nan 0.000 0.441 609 E N 0.314 120.591 120.200 0.127 0.000 2.112 609 E HA -0.111 4.239 4.350 0.001 0.000 0.190 609 E C 2.120 178.761 176.600 0.067 0.000 0.979 609 E CA 0.792 57.243 56.400 0.086 0.000 0.814 609 E CB 0.019 29.758 29.700 0.065 0.000 0.762 609 E HN 0.412 nan 8.360 nan 0.000 0.460 610 G N 1.312 110.160 108.800 0.079 0.000 2.701 610 G HA2 -0.313 3.647 3.960 0.001 0.000 0.215 610 G HA3 -0.313 3.647 3.960 0.001 0.000 0.215 610 G C 1.437 176.384 174.900 0.078 0.000 1.297 610 G CA 0.895 46.037 45.100 0.069 0.000 0.807 610 G HN 0.228 nan 8.290 nan 0.000 0.608 611 Q N 0.265 120.174 119.800 0.182 0.000 2.197 611 Q HA -0.144 4.197 4.340 0.001 0.000 0.207 611 Q C 2.225 178.299 176.000 0.123 0.000 0.984 611 Q CA 1.437 57.427 55.803 0.311 0.000 0.869 611 Q CB -0.365 28.743 28.738 0.617 0.000 0.906 611 Q HN 0.724 nan 8.270 nan 0.000 0.426 612 E N 0.643 120.859 120.200 0.026 0.000 2.158 612 E HA -0.085 4.265 4.350 0.001 0.000 0.191 612 E C 1.717 178.262 176.600 -0.091 0.000 0.982 612 E CA 0.330 56.689 56.400 -0.069 0.000 0.823 612 E CB 0.226 29.938 29.700 0.020 0.000 0.766 612 E HN 0.248 nan 8.360 nan 0.000 0.468 613 K N -0.011 120.345 120.400 -0.074 0.000 2.147 613 K HA -0.157 4.163 4.320 0.001 0.000 0.205 613 K C 1.852 178.338 176.600 -0.189 0.000 1.049 613 K CA 0.765 56.998 56.287 -0.090 0.000 0.936 613 K CB 0.140 32.602 32.500 -0.063 0.000 0.722 613 K HN 0.055 nan 8.250 nan 0.000 0.446 614 L N -1.430 119.579 121.223 -0.358 0.000 2.185 614 L HA 0.025 4.366 4.340 0.001 0.000 0.198 614 L C 1.294 177.683 176.870 -0.803 0.000 1.079 614 L CA 1.396 55.810 54.840 -0.709 0.000 0.780 614 L CB -0.069 41.249 42.059 -1.235 0.000 0.955 614 L HN 0.012 nan 8.230 nan 0.000 0.462 615 F N -0.792 119.082 119.950 -0.128 0.000 2.661 615 F HA 0.453 4.979 4.527 -0.000 0.000 0.306 615 F C 1.339 176.829 175.800 -0.517 0.000 1.094 615 F CA -0.631 57.197 58.000 -0.286 0.000 1.254 615 F CB -1.055 37.804 39.000 -0.234 0.000 1.040 615 F HN -0.052 nan 8.300 nan 0.000 0.562 616 G N 0.262 108.860 108.800 -0.336 0.000 2.508 616 G HA2 0.251 4.211 3.960 0.001 0.000 0.278 616 G HA3 0.251 4.211 3.960 0.001 0.000 0.278 616 G C 0.327 175.110 174.900 -0.195 0.000 1.389 616 G CA -0.530 44.345 45.100 -0.375 0.000 1.050 616 G HN 0.261 nan 8.290 nan 0.000 0.522 617 L N -0.674 120.513 121.223 -0.060 0.000 2.672 617 L HA 0.359 4.700 4.340 0.001 0.000 0.236 617 L C 0.376 177.052 176.870 -0.323 0.000 1.186 617 L CA 0.140 54.882 54.840 -0.164 0.000 0.977 617 L CB -0.579 41.410 42.059 -0.118 0.000 1.203 617 L HN 0.670 nan 8.230 nan 0.000 0.448 618 H N -2.245 116.807 119.070 -0.030 0.000 3.727 618 H HA 0.207 4.763 4.556 0.000 0.000 0.248 618 H C 0.597 175.886 175.328 -0.065 0.000 1.238 618 H CA -0.216 55.809 56.048 -0.037 0.000 1.090 618 H CB -0.230 29.518 29.762 -0.024 0.000 3.166 618 H HN 0.244 nan 8.280 nan 0.000 0.653 619 G N -0.137 108.649 108.800 -0.023 0.000 2.569 619 G HA2 0.152 4.113 3.960 0.001 0.000 0.249 619 G HA3 0.152 4.113 3.960 0.001 0.000 0.249 619 G C 0.869 175.713 174.900 -0.094 0.000 1.216 619 G CA 0.036 45.072 45.100 -0.107 0.000 0.845 619 G HN 0.233 nan 8.290 nan 0.000 0.568 620 T N -0.129 114.338 114.554 -0.145 0.000 3.014 620 T HA 0.033 4.383 4.350 0.001 0.000 0.263 620 T C 1.109 175.753 174.700 -0.094 0.000 1.078 620 T CA 1.111 63.144 62.100 -0.110 0.000 1.135 620 T CB -0.048 68.746 68.868 -0.123 0.000 0.895 620 T HN 0.636 nan 8.240 nan 0.000 0.480 621 E N 0.750 120.864 120.200 -0.143 0.000 3.306 621 E HA 0.114 4.465 4.350 0.001 0.000 0.197 621 E C 0.904 177.565 176.600 0.101 0.000 0.980 621 E CA -0.131 56.256 56.400 -0.022 0.000 1.259 621 E CB 0.448 30.158 29.700 0.017 0.000 1.112 621 E HN 0.526 nan 8.360 nan 0.000 0.458 622 K N 1.251 121.661 120.400 0.017 0.000 2.365 622 K HA -0.094 4.226 4.320 0.001 0.000 0.199 622 K C 1.732 178.342 176.600 0.018 0.000 1.045 622 K CA 1.014 57.307 56.287 0.011 0.000 0.962 622 K CB 0.081 32.543 32.500 -0.065 0.000 0.759 622 K HN 0.089 nan 8.250 nan 0.000 0.469 623 E N 1.835 122.060 120.200 0.041 0.000 2.107 623 E HA -0.173 4.177 4.350 0.001 0.000 0.191 623 E C 1.783 178.432 176.600 0.081 0.000 0.982 623 E CA 0.533 56.958 56.400 0.042 0.000 0.809 623 E CB -0.156 29.565 29.700 0.035 0.000 0.756 623 E HN 0.358 nan 8.360 nan 0.000 0.459 624 R N -0.165 120.422 120.500 0.144 0.000 2.057 624 R HA 0.077 4.417 4.340 0.001 0.000 0.229 624 R C 0.401 176.865 176.300 0.273 0.000 1.136 624 R CA 1.111 57.332 56.100 0.200 0.000 0.952 624 R CB -0.056 30.410 30.300 0.277 0.000 0.848 624 R HN 0.197 nan 8.270 nan 0.000 0.430 625 F N -0.087 119.933 119.950 0.117 0.000 2.622 625 F HA 0.338 4.866 4.527 0.001 0.000 0.318 625 F C -1.393 174.417 175.800 0.017 0.000 1.135 625 F CA -1.140 56.838 58.000 -0.036 0.000 1.015 625 F CB 1.620 40.462 39.000 -0.264 0.000 1.275 625 F HN -0.278 nan 8.300 nan 0.000 0.457 626 M N 7.769 126.832 119.600 -0.895 0.000 2.101 626 M HA 0.307 4.788 4.480 0.001 0.000 0.340 626 M C 0.257 175.751 176.300 -1.343 0.000 1.057 626 M CA -0.351 54.478 55.300 -0.784 0.000 0.984 626 M CB 1.574 33.924 32.600 -0.416 0.000 1.560 626 M HN 1.024 nan 8.290 nan 0.000 0.435 627 M N 3.614 122.434 119.600 -1.299 0.000 2.108 627 M HA -0.172 4.309 4.480 0.001 0.000 0.261 627 M C 0.270 176.094 176.300 -0.794 0.000 1.066 627 M CA 2.001 56.526 55.300 -1.291 0.000 1.107 627 M CB -0.130 31.538 32.600 -1.553 0.000 1.356 627 M HN 0.562 nan 8.290 nan 0.000 0.406 628 F N -0.065 119.633 119.950 -0.419 0.000 2.663 628 F HA 0.293 4.821 4.527 0.002 0.000 0.299 628 F C 0.714 176.422 175.800 -0.153 0.000 1.143 628 F CA -0.162 57.703 58.000 -0.225 0.000 1.387 628 F CB -0.763 38.107 39.000 -0.217 0.000 1.019 628 F HN 0.143 nan 8.300 nan 0.000 0.523 629 Q N 0.817 120.575 119.800 -0.070 0.000 2.353 629 Q HA 0.535 4.875 4.340 0.001 0.000 0.268 629 Q C -1.021 174.958 176.000 -0.035 0.000 1.045 629 Q CA -0.356 55.415 55.803 -0.053 0.000 0.811 629 Q CB 2.055 30.736 28.738 -0.095 0.000 1.305 629 Q HN 0.173 nan 8.270 nan 0.000 0.447 630 S N 2.787 118.498 115.700 0.018 0.000 2.568 630 S HA 0.292 4.762 4.470 0.001 0.000 0.302 630 S C 0.352 174.978 174.600 0.042 0.000 1.082 630 S CA -0.790 57.438 58.200 0.047 0.000 1.009 630 S CB 1.817 65.065 63.200 0.079 0.000 1.069 630 S HN 0.691 nan 8.310 nan 0.000 0.500 631 Q N 0.541 120.373 119.800 0.053 0.000 2.398 631 Q HA 0.000 4.341 4.340 0.001 0.000 0.204 631 Q C 1.579 177.611 176.000 0.052 0.000 0.932 631 Q CA 1.162 56.994 55.803 0.047 0.000 0.916 631 Q CB 0.053 28.820 28.738 0.048 0.000 1.024 631 Q HN 0.937 nan 8.270 nan 0.000 0.504 632 T N -1.777 112.816 114.554 0.064 0.000 3.074 632 T HA 0.190 4.540 4.350 0.001 0.000 0.182 632 T C 1.316 176.067 174.700 0.084 0.000 0.747 632 T CA -0.141 62.003 62.100 0.073 0.000 1.884 632 T CB 0.491 69.402 68.868 0.073 0.000 2.388 632 T HN -0.190 nan 8.240 nan 0.000 0.421 633 K N 0.428 120.885 120.400 0.095 0.000 2.830 633 K HA 0.408 4.729 4.320 0.001 0.000 0.250 633 K C -0.564 176.093 176.600 0.096 0.000 1.395 633 K CA -0.069 56.276 56.287 0.096 0.000 0.886 633 K CB -0.139 32.428 32.500 0.111 0.000 1.889 633 K HN 0.375 nan 8.250 nan 0.000 0.368 634 D N 1.061 121.527 120.400 0.111 0.000 2.192 634 D HA 0.513 5.153 4.640 0.001 0.000 0.246 634 D C -0.621 175.763 176.300 0.140 0.000 1.042 634 D CA -0.169 53.905 54.000 0.123 0.000 0.847 634 D CB 1.499 42.371 40.800 0.120 0.000 1.186 634 D HN 0.100 nan 8.370 nan 0.000 0.461 635 L N 3.485 124.794 121.223 0.145 0.000 2.641 635 L HA 0.145 4.486 4.340 0.001 0.000 0.261 635 L C 0.872 177.820 176.870 0.129 0.000 0.926 635 L CA -0.611 54.311 54.840 0.136 0.000 0.917 635 L CB 2.000 44.132 42.059 0.122 0.000 1.361 635 L HN 0.451 nan 8.230 nan 0.000 0.417 636 L N 0.875 122.154 121.223 0.094 0.000 3.415 636 L HA -0.343 3.997 4.340 0.001 0.000 0.185 636 L C -0.302 176.391 176.870 -0.296 0.000 4.448 636 L CA 1.892 56.710 54.840 -0.037 0.000 0.483 636 L CB -1.309 40.697 42.059 -0.089 0.000 3.552 636 L HN 0.344 nan 8.230 nan 0.000 0.712 637 F N 0.304 120.376 119.950 0.204 0.000 2.522 637 F HA 0.563 5.090 4.527 -0.000 0.000 0.324 637 F C 0.563 176.481 175.800 0.198 0.000 1.077 637 F CA -0.959 57.190 58.000 0.247 0.000 0.944 637 F CB 1.317 40.502 39.000 0.310 0.000 1.175 637 F HN -0.110 nan 8.300 nan 0.000 0.468 638 K N 1.525 122.139 120.400 0.356 0.000 2.524 638 K HA 0.192 4.512 4.320 0.001 0.000 0.279 638 K C 0.854 177.554 176.600 0.167 0.000 0.993 638 K CA 0.649 57.055 56.287 0.197 0.000 1.030 638 K CB 0.873 33.408 32.500 0.058 0.000 0.891 638 K HN 0.752 nan 8.250 nan 0.000 0.488 639 A N 4.857 127.727 122.820 0.084 0.000 2.024 639 A HA -0.047 4.273 4.320 0.001 0.000 0.220 639 A C 1.148 178.730 177.584 -0.004 0.000 1.164 639 A CA 1.228 53.296 52.037 0.052 0.000 0.643 639 A CB -0.406 18.619 19.000 0.041 0.000 0.806 639 A HN 0.678 nan 8.150 nan 0.000 0.451 640 L N 1.314 122.489 121.223 -0.080 0.000 3.047 640 L HA 0.164 4.504 4.340 0.001 0.000 0.242 640 L C -0.534 176.343 176.870 0.011 0.000 1.315 640 L CA -0.496 54.310 54.840 -0.056 0.000 1.042 640 L CB 0.358 42.357 42.059 -0.100 0.000 1.420 640 L HN 0.066 nan 8.230 nan 0.000 0.517 641 T N -0.178 114.363 114.554 -0.022 0.000 2.794 641 T HA 0.164 4.515 4.350 0.001 0.000 0.296 641 T C 1.068 175.478 174.700 -0.483 0.000 0.949 641 T CA -0.449 61.493 62.100 -0.264 0.000 1.101 641 T CB 1.699 70.152 68.868 -0.691 0.000 0.905 641 T HN 0.126 nan 8.240 nan 0.000 0.516 642 K N 0.916 121.083 120.400 -0.389 0.000 2.335 642 K HA 0.255 4.575 4.320 0.001 0.000 0.195 642 K C 0.780 177.230 176.600 -0.250 0.000 1.058 642 K CA 0.235 56.374 56.287 -0.245 0.000 0.988 642 K CB -0.096 32.321 32.500 -0.139 0.000 0.880 642 K HN 0.875 nan 8.250 nan 0.000 0.513 643 c N -1.992 116.372 118.600 -0.393 0.000 3.045 643 c HA 0.444 5.014 4.570 0.001 0.000 0.338 643 c C -1.676 172.248 174.090 -0.276 0.000 1.267 643 c CA -1.492 54.697 56.329 -0.233 0.000 1.177 643 c CB 0.066 42.533 42.510 -0.072 0.000 1.380 643 c HN 0.083 nan 8.230 nan 0.000 0.469 644 L N 2.665 123.821 121.223 -0.112 0.000 2.277 644 L HA 0.567 4.908 4.340 0.001 0.000 0.284 644 L C -0.044 176.825 176.870 -0.002 0.000 1.028 644 L CA -0.522 54.296 54.840 -0.036 0.000 0.835 644 L CB 1.392 43.496 42.059 0.075 0.000 1.215 644 L HN 0.661 nan 8.230 nan 0.000 0.425 645 V N 3.341 123.242 119.914 -0.022 0.000 2.455 645 V HA 0.117 4.238 4.120 0.001 0.000 0.273 645 V C 0.541 176.648 176.094 0.021 0.000 1.045 645 V CA -0.694 61.604 62.300 -0.005 0.000 0.976 645 V CB 0.736 32.547 31.823 -0.019 0.000 0.993 645 V HN 0.630 nan 8.190 nan 0.000 0.475 646 K N 5.416 125.832 120.400 0.027 0.000 2.378 646 K HA 0.343 4.663 4.320 0.001 0.000 0.288 646 K C -0.525 176.092 176.600 0.029 0.000 1.057 646 K CA -0.028 56.278 56.287 0.032 0.000 0.971 646 K CB 0.349 32.869 32.500 0.032 0.000 0.975 646 K HN 0.540 nan 8.250 nan 0.000 0.475 647 L N 3.760 124.998 121.223 0.025 0.000 2.349 647 L HA 0.282 4.622 4.340 0.001 0.000 0.275 647 L C 1.022 177.910 176.870 0.029 0.000 1.115 647 L CA -0.619 54.240 54.840 0.031 0.000 0.820 647 L CB 0.608 42.671 42.059 0.006 0.000 1.135 647 L HN 0.455 nan 8.230 nan 0.000 0.445 648 R N 1.871 122.391 120.500 0.034 0.000 2.694 648 R HA 0.062 4.402 4.340 0.001 0.000 0.268 648 R C -0.025 176.290 176.300 0.025 0.000 1.061 648 R CA -0.240 55.876 56.100 0.027 0.000 1.133 648 R CB 0.504 30.819 30.300 0.025 0.000 1.020 648 R HN 0.609 nan 8.270 nan 0.000 0.475 649 Q N 0.000 119.812 119.800 0.020 0.000 2.304 649 Q HA -0.029 4.311 4.340 0.001 0.000 0.301 649 Q C 0.804 176.815 176.000 0.018 0.000 1.063 649 Q CA 1.364 57.177 55.803 0.017 0.000 0.947 649 Q CB 0.494 29.240 28.738 0.014 0.000 1.201 649 Q HN 0.945 nan 8.270 nan 0.000 0.389 650 G N 3.385 112.195 108.800 0.018 0.000 2.153 650 G HA2 -0.298 3.663 3.960 0.001 0.000 0.252 650 G HA3 -0.298 3.663 3.960 0.001 0.000 0.252 650 G C 0.090 175.008 174.900 0.029 0.000 0.994 650 G CA 0.120 45.233 45.100 0.021 0.000 0.698 650 G HN 0.652 nan 8.290 nan 0.000 0.521 651 I N 2.355 122.948 120.570 0.038 0.000 2.556 651 I HA 0.429 4.600 4.170 0.001 0.000 0.284 651 I C 1.380 177.543 176.117 0.076 0.000 1.114 651 I CA 0.437 61.772 61.300 0.058 0.000 1.418 651 I CB 0.697 38.742 38.000 0.075 0.000 1.394 651 I HN 0.368 nan 8.210 nan 0.000 0.552 652 T N 4.053 118.658 114.554 0.085 0.000 2.847 652 T HA 0.142 4.492 4.350 0.001 0.000 0.279 652 T C 0.859 175.673 174.700 0.190 0.000 0.984 652 T CA -0.124 62.051 62.100 0.124 0.000 0.988 652 T CB 0.869 69.772 68.868 0.058 0.000 1.040 652 T HN 0.610 nan 8.240 nan 0.000 0.528 653 Y N 0.410 120.771 120.300 0.101 0.000 2.509 653 Y HA 0.250 4.800 4.550 0.001 0.000 0.293 653 Y C 1.963 178.018 175.900 0.259 0.000 1.133 653 Y CA 0.446 58.670 58.100 0.206 0.000 1.283 653 Y CB -0.663 37.886 38.460 0.148 0.000 1.001 653 Y HN 0.598 nan 8.280 nan 0.000 0.555 654 K N 0.750 120.824 120.400 -0.542 0.000 2.076 654 K HA -0.071 4.249 4.320 0.001 0.000 0.204 654 K C 1.852 178.345 176.600 -0.178 0.000 1.051 654 K CA 1.456 57.434 56.287 -0.516 0.000 0.949 654 K CB -0.129 31.908 32.500 -0.771 0.000 0.726 654 K HN 0.397 nan 8.250 nan 0.000 0.443 655 E N 0.396 120.541 120.200 -0.091 0.000 2.106 655 E HA -0.171 4.179 4.350 0.001 0.000 0.192 655 E C 1.774 178.401 176.600 0.044 0.000 0.984 655 E CA 0.913 57.304 56.400 -0.016 0.000 0.806 655 E CB -0.108 29.599 29.700 0.013 0.000 0.750 655 E HN 0.178 nan 8.360 nan 0.000 0.458 656 F N 1.303 121.256 119.950 0.006 0.000 2.075 656 F HA -0.160 4.367 4.527 0.001 0.000 0.297 656 F C 1.845 177.691 175.800 0.075 0.000 1.113 656 F CA 1.388 59.413 58.000 0.041 0.000 1.218 656 F CB -0.242 38.806 39.000 0.079 0.000 0.984 656 F HN -0.090 nan 8.300 nan 0.000 0.472 657 L N -0.162 121.014 121.223 -0.078 0.000 2.093 657 L HA 0.128 4.468 4.340 0.001 0.000 0.208 657 L C 1.333 178.205 176.870 0.004 0.000 1.085 657 L CA 0.693 55.518 54.840 -0.026 0.000 0.755 657 L CB -1.393 40.843 42.059 0.295 0.000 0.904 657 L HN 0.474 nan 8.230 nan 0.000 0.435 658 G N -0.220 108.587 108.800 0.012 0.000 2.661 658 G HA2 -0.197 3.763 3.960 0.001 0.000 0.685 658 G HA3 -0.197 3.763 3.960 0.001 0.000 0.685 658 G C -0.328 174.614 174.900 0.071 0.000 1.298 658 G CA -0.162 44.956 45.100 0.029 0.000 0.855 658 G HN 0.125 nan 8.290 nan 0.000 0.560 659 D N 0.148 120.578 120.400 0.049 0.000 2.149 659 D HA 0.024 4.664 4.640 0.001 0.000 0.201 659 D C 2.051 178.409 176.300 0.096 0.000 0.972 659 D CA 1.520 55.565 54.000 0.076 0.000 0.835 659 D CB -0.110 40.709 40.800 0.032 0.000 0.966 659 D HN 0.499 nan 8.370 nan 0.000 0.476 660 E N 0.228 120.465 120.200 0.063 0.000 2.023 660 E HA -0.196 4.154 4.350 0.001 0.000 0.196 660 E C 1.965 178.610 176.600 0.076 0.000 1.003 660 E CA 0.911 57.342 56.400 0.050 0.000 0.809 660 E CB -0.521 29.193 29.700 0.023 0.000 0.755 660 E HN 0.317 nan 8.360 nan 0.000 0.449 661 Y N -0.615 119.668 120.300 -0.027 0.000 2.263 661 Y HA -0.206 4.344 4.550 0.001 0.000 0.292 661 Y C 2.134 178.003 175.900 -0.051 0.000 1.130 661 Y CA 1.291 59.361 58.100 -0.050 0.000 1.179 661 Y CB -0.516 37.909 38.460 -0.058 0.000 0.998 661 Y HN 0.184 nan 8.280 nan 0.000 0.532 662 Y N 0.122 120.361 120.300 -0.102 0.000 2.114 662 Y HA -0.295 4.255 4.550 0.000 0.000 0.282 662 Y C 2.489 178.289 175.900 -0.166 0.000 1.165 662 Y CA 2.202 60.233 58.100 -0.115 0.000 1.148 662 Y CB -0.782 37.654 38.460 -0.041 0.000 0.972 662 Y HN 0.117 nan 8.280 nan 0.000 0.504 663 A N -1.166 121.624 122.820 -0.050 0.000 1.969 663 A HA -0.128 4.192 4.320 0.001 0.000 0.218 663 A C 2.329 179.792 177.584 -0.201 0.000 1.169 663 A CA 1.793 53.780 52.037 -0.084 0.000 0.635 663 A CB -0.911 18.111 19.000 0.038 0.000 0.810 663 A HN 0.495 nan 8.150 nan 0.000 0.445 664 S N -0.756 114.802 115.700 -0.238 0.000 2.387 664 S HA -0.092 4.378 4.470 0.001 0.000 0.226 664 S C 1.815 176.178 174.600 -0.396 0.000 1.026 664 S CA 1.180 59.233 58.200 -0.244 0.000 0.972 664 S CB -0.318 62.791 63.200 -0.152 0.000 0.814 664 S HN 0.551 nan 8.310 nan 0.000 0.477 665 V N 1.326 120.824 119.914 -0.694 0.000 2.951 665 V HA 0.171 4.291 4.120 0.001 0.000 0.255 665 V C 1.952 177.531 176.094 -0.859 0.000 1.088 665 V CA 1.135 62.926 62.300 -0.849 0.000 1.109 665 V CB -0.617 30.556 31.823 -1.084 0.000 0.724 665 V HN 0.415 nan 8.190 nan 0.000 0.471 666 A N -0.019 122.336 122.820 -0.775 0.000 1.824 666 A HA -0.150 4.170 4.320 0.001 0.000 0.215 666 A C 2.511 179.961 177.584 -0.222 0.000 1.244 666 A CA 2.050 53.831 52.037 -0.426 0.000 0.604 666 A CB -1.496 17.287 19.000 -0.363 0.000 0.900 666 A HN 0.626 nan 8.150 nan 0.000 0.455 667 S N -0.576 115.030 115.700 -0.157 0.000 2.406 667 S HA -0.252 4.219 4.470 0.001 0.000 0.242 667 S C 1.961 176.529 174.600 -0.054 0.000 1.079 667 S CA 1.976 60.143 58.200 -0.056 0.000 1.133 667 S CB -0.611 62.582 63.200 -0.012 0.000 1.005 667 S HN 0.463 nan 8.310 nan 0.000 0.443 668 L N 1.297 122.447 121.223 -0.122 0.000 2.042 668 L HA -0.139 4.202 4.340 0.001 0.000 0.210 668 L C 1.299 178.099 176.870 -0.116 0.000 1.076 668 L CA 2.317 57.065 54.840 -0.153 0.000 0.749 668 L CB -1.281 40.668 42.059 -0.184 0.000 0.893 668 L HN 0.427 nan 8.230 nan 0.000 0.432 669 N N -0.808 117.827 118.700 -0.109 0.000 2.434 669 N HA -0.075 4.665 4.740 0.001 0.000 0.196 669 N C 1.458 176.960 175.510 -0.013 0.000 1.183 669 N CA 0.797 53.820 53.050 -0.045 0.000 0.849 669 N CB 0.146 38.606 38.487 -0.046 0.000 0.992 669 N HN 0.463 nan 8.380 nan 0.000 0.460 670 T N -3.904 110.637 114.554 -0.021 0.000 3.023 670 T HA -0.022 4.329 4.350 0.001 0.000 0.266 670 T C 1.903 176.603 174.700 0.001 0.000 1.093 670 T CA 0.556 62.658 62.100 0.004 0.000 1.129 670 T CB -0.451 68.433 68.868 0.027 0.000 0.899 670 T HN 0.213 nan 8.240 nan 0.000 0.491 671 c N 1.661 120.246 118.600 -0.024 0.000 2.564 671 c HA 0.353 4.923 4.570 0.001 0.000 0.281 671 c C 1.334 175.429 174.090 0.008 0.000 1.314 671 c CA 0.578 56.887 56.329 -0.034 0.000 1.706 671 c CB -1.014 41.418 42.510 -0.130 0.000 2.109 671 c HN 0.883 nan 8.230 nan 0.000 0.502 672 N N -0.263 118.474 118.700 0.061 0.000 2.785 672 N HA 0.250 4.990 4.740 0.001 0.000 0.224 672 N C -3.190 172.356 175.510 0.060 0.000 1.448 672 N CA -0.579 52.510 53.050 0.065 0.000 0.748 672 N CB 0.386 38.921 38.487 0.081 0.000 1.385 672 N HN 0.043 nan 8.380 nan 0.000 0.538 673 P HA 0.051 nan 4.420 nan 0.000 0.265 673 P C -0.090 177.217 177.300 0.012 0.000 1.187 673 P CA 0.033 63.148 63.100 0.025 0.000 0.766 673 P CB 0.755 32.472 31.700 0.030 0.000 0.820 674 S N 1.003 116.700 115.700 -0.004 0.000 2.624 674 S HA 0.095 4.566 4.470 0.001 0.000 0.263 674 S C 1.102 175.700 174.600 -0.004 0.000 1.287 674 S CA -0.300 57.892 58.200 -0.012 0.000 0.990 674 S CB 0.548 63.734 63.200 -0.024 0.000 0.950 674 S HN 0.573 nan 8.310 nan 0.000 0.561 675 D N 0.275 120.670 120.400 -0.009 0.000 2.149 675 D HA -0.197 4.443 4.640 0.001 0.000 0.198 675 D C 1.612 177.905 176.300 -0.011 0.000 0.990 675 D CA 1.146 55.137 54.000 -0.014 0.000 0.839 675 D CB -0.492 40.296 40.800 -0.021 0.000 0.948 675 D HN 0.450 nan 8.370 nan 0.000 0.460 676 L N -0.830 120.392 121.223 -0.002 0.000 2.179 676 L HA 0.104 4.444 4.340 0.001 0.000 0.208 676 L C 2.117 178.988 176.870 0.003 0.000 1.096 676 L CA 0.802 55.644 54.840 0.003 0.000 0.779 676 L CB -0.424 41.648 42.059 0.020 0.000 0.922 676 L HN 0.076 nan 8.230 nan 0.000 0.443 677 L N -0.613 120.613 121.223 0.005 0.000 2.109 677 L HA -0.123 4.217 4.340 0.001 0.000 0.207 677 L C 2.376 179.257 176.870 0.019 0.000 1.086 677 L CA 1.657 56.501 54.840 0.006 0.000 0.760 677 L CB -0.571 41.499 42.059 0.020 0.000 0.910 677 L HN 0.399 nan 8.230 nan 0.000 0.437 678 Q N -0.962 118.850 119.800 0.019 0.000 2.079 678 Q HA -0.138 4.202 4.340 0.001 0.000 0.200 678 Q C 2.227 178.256 176.000 0.048 0.000 0.974 678 Q CA 2.049 57.872 55.803 0.032 0.000 0.840 678 Q CB -0.455 28.290 28.738 0.012 0.000 0.898 678 Q HN 0.587 nan 8.270 nan 0.000 0.430 679 V N -1.451 118.474 119.914 0.017 0.000 2.287 679 V HA -0.296 3.824 4.120 0.001 0.000 0.248 679 V C 2.093 178.241 176.094 0.089 0.000 1.053 679 V CA 1.815 64.130 62.300 0.024 0.000 1.027 679 V CB -1.292 30.522 31.823 -0.014 0.000 0.646 679 V HN 0.427 nan 8.190 nan 0.000 0.447 680 c N 0.890 119.519 118.600 0.048 0.000 2.448 680 c HA -0.022 4.549 4.570 0.001 0.000 0.280 680 c C 2.939 177.045 174.090 0.026 0.000 1.398 680 c CA 1.297 57.637 56.329 0.019 0.000 1.774 680 c CB -1.525 40.961 42.510 -0.041 0.000 1.888 680 c HN 0.725 nan 8.230 nan 0.000 0.519 681 T N 0.751 115.340 114.554 0.057 0.000 2.851 681 T HA -0.085 4.265 4.350 0.001 0.000 0.262 681 T C 1.487 176.228 174.700 0.069 0.000 1.043 681 T CA 1.016 63.147 62.100 0.052 0.000 1.140 681 T CB -0.380 68.525 68.868 0.060 0.000 0.872 681 T HN 0.506 nan 8.240 nan 0.000 0.446 682 F N 2.137 122.077 119.950 -0.016 0.000 2.026 682 F HA -0.078 4.450 4.527 0.001 0.000 0.296 682 F C 1.941 177.730 175.800 -0.019 0.000 1.133 682 F CA 1.363 59.358 58.000 -0.010 0.000 1.188 682 F CB -0.528 38.473 39.000 0.002 0.000 0.968 682 F HN -0.008 nan 8.300 nan 0.000 0.476 683 L N 0.183 121.535 121.223 0.215 0.000 2.261 683 L HA -0.167 4.173 4.340 0.001 0.000 0.216 683 L C 0.522 177.378 176.870 -0.024 0.000 1.114 683 L CA 0.772 55.663 54.840 0.085 0.000 0.777 683 L CB -0.837 41.292 42.059 0.116 0.000 0.910 683 L HN 0.174 nan 8.230 nan 0.000 0.440 684 E N 1.140 121.319 120.200 -0.035 0.000 2.059 684 E HA -0.069 4.281 4.350 0.001 0.000 0.262 684 E C -0.104 176.445 176.600 -0.084 0.000 1.230 684 E CA 0.073 56.444 56.400 -0.049 0.000 0.951 684 E CB 0.369 30.050 29.700 -0.032 0.000 1.038 684 E HN 0.250 nan 8.360 nan 0.000 0.425 685 D N 1.507 121.852 120.400 -0.092 0.000 1.298 685 D HA -0.140 4.500 4.640 0.001 0.000 0.778 685 D C -0.489 175.740 176.300 -0.118 0.000 0.730 685 D CA 0.720 54.647 54.000 -0.121 0.000 0.714 685 D CB -0.245 40.428 40.800 -0.213 0.000 3.060 685 D HN 0.321 nan 8.370 nan 0.000 0.233 686 K N 0.000 120.325 120.400 -0.125 0.000 2.780 686 K HA 0.000 4.320 4.320 0.001 0.000 0.191 686 K CA 0.000 56.213 56.287 -0.123 0.000 0.838 686 K CB 0.000 32.454 32.500 -0.077 0.000 1.064 686 K HN 0.000 nan 8.250 nan 0.000 0.543