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 2is1_1_B DATA FIRST_RESID 3 DATA SEQUENCE VSYLLDSLND KQREAVAAPR SNLLVLAGAG SGKTRVLVHR IAWLMSVENC DATA SEQUENCE SPYSIMAVTF TNKAAAEMRH RIGQLMGTSQ GGMWVGTFHG LAHRLLRAHH DATA SEQUENCE MDANLPQDFQ ILDSEDQLRL LKRLIKAMNL DEKQWPPRQA MWYINSQKDE DATA SEQUENCE GLRPHHIQSX XXXVEQTWQK VYQAYQEACD RAGLVDFAEL LLRAHELWLN DATA SEQUENCE KPHILQHYRE RFTNILVDEF QDTNNIQYAW IRLLAGDTGK VMIVGDDDQS DATA SEQUENCE IYGWRGAQVE NIQRFLNDFP GAETIRLEQN YRSTSNILSA ANALIENNNG DATA SEQUENCE RLGKKLWTDG ADGEPISLYC AFNELDEARF VVNRIKTWQD NGGALAECAI DATA SEQUENCE LYRSNAQSRV LEEALLQASM PYRIYGGMRF FERQEIKDAL SYLRLIVNRN DATA SEQUENCE DDAAFERVVN TPTRGIGDRT LDVVRQTSRD RQLTLWQACR ELLQEKALAG DATA SEQUENCE RAASALQRFM ELIDALAQET ADMPLHVQTD RVIKDSGLRT MYEQEKGEKG DATA SEQUENCE QTRIENLEEL VTATRQFSYX XXDEDLMPLQ AFLSHAALEA GEGQXXXXXD DATA SEQUENCE AVQLMTLHSA KGLEFPQVFI VGMEEGMFPS QMXXXXXXRL EEERRLAYVG DATA SEQUENCE VTRAMQKLTL TYAETRRLYG KEVYHRPSRF IGELPEECVE EV 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.321 176.094 0.377 0.000 1.182 3 V CA 0.000 62.425 62.300 0.208 0.000 1.235 3 V CB 0.000 31.887 31.823 0.106 0.000 1.184 4 S N -0.025 115.916 115.700 0.401 0.000 3.295 4 S HA -0.262 4.208 4.470 -0.000 0.000 0.353 4 S C 0.647 175.471 174.600 0.374 0.000 1.155 4 S CA 2.523 60.933 58.200 0.350 0.000 0.996 4 S CB -1.879 61.452 63.200 0.218 0.000 0.932 4 S HN 2.034 nan 8.310 nan 0.000 0.556 5 Y N -2.211 118.164 120.300 0.124 0.000 2.524 5 Y HA 0.449 4.999 4.550 -0.000 0.000 0.270 5 Y C 1.636 177.621 175.900 0.142 0.000 1.094 5 Y CA -0.445 57.714 58.100 0.098 0.000 1.276 5 Y CB -0.198 38.298 38.460 0.059 0.000 1.130 5 Y HN 0.281 nan 8.280 nan 0.000 0.536 6 L N 0.889 122.033 121.223 -0.131 0.000 2.551 6 L HA 0.008 4.348 4.340 -0.000 0.000 0.228 6 L C 1.023 178.003 176.870 0.183 0.000 1.153 6 L CA 0.983 55.786 54.840 -0.062 0.000 0.851 6 L CB -0.084 41.967 42.059 -0.014 0.000 0.959 6 L HN 0.430 nan 8.230 nan 0.000 0.451 7 L N -2.854 118.452 121.223 0.139 0.000 3.076 7 L HA 0.143 4.483 4.340 -0.000 0.000 0.271 7 L C 1.299 178.200 176.870 0.051 0.000 1.152 7 L CA -0.151 54.720 54.840 0.052 0.000 0.996 7 L CB 0.040 42.119 42.059 0.034 0.000 1.453 7 L HN -0.103 nan 8.230 nan 0.000 0.571 8 D N 1.456 121.915 120.400 0.099 0.000 2.397 8 D HA -0.115 4.525 4.640 -0.000 0.000 0.219 8 D C 0.680 177.010 176.300 0.050 0.000 0.975 8 D CA 1.445 55.495 54.000 0.084 0.000 0.940 8 D CB 0.147 41.014 40.800 0.111 0.000 0.884 8 D HN 0.422 nan 8.370 nan 0.000 0.505 9 S N -0.698 115.015 115.700 0.022 0.000 2.612 9 S HA 0.368 4.838 4.470 -0.000 0.000 0.203 9 S C -0.189 174.358 174.600 -0.089 0.000 0.965 9 S CA -0.722 57.470 58.200 -0.013 0.000 1.157 9 S CB -0.061 63.141 63.200 0.003 0.000 1.526 9 S HN -0.020 nan 8.310 nan 0.000 0.423 10 L N 2.034 123.201 121.223 -0.094 0.000 2.388 10 L HA 0.591 4.931 4.340 -0.000 0.000 0.264 10 L C -0.330 176.500 176.870 -0.067 0.000 0.998 10 L CA -1.102 53.645 54.840 -0.155 0.000 0.817 10 L CB 1.906 43.835 42.059 -0.217 0.000 1.338 10 L HN 0.406 nan 8.230 nan 0.000 0.414 11 N N -0.587 118.091 118.700 -0.037 0.000 2.354 11 N HA 0.007 4.747 4.740 -0.000 0.000 0.246 11 N C 0.459 175.988 175.510 0.033 0.000 1.285 11 N CA -0.128 52.960 53.050 0.064 0.000 0.925 11 N CB 0.360 38.958 38.487 0.184 0.000 1.174 11 N HN 0.694 nan 8.380 nan 0.000 0.478 12 D N 0.005 120.447 120.400 0.070 0.000 2.192 12 D HA -0.311 4.329 4.640 -0.000 0.000 0.189 12 D C 1.056 177.368 176.300 0.021 0.000 1.007 12 D CA 1.861 55.890 54.000 0.049 0.000 0.859 12 D CB -0.113 40.736 40.800 0.082 0.000 0.936 12 D HN 0.434 nan 8.370 nan 0.000 0.447 13 K N 0.017 120.441 120.400 0.040 0.000 2.116 13 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 13 K C 2.372 178.948 176.600 -0.039 0.000 1.052 13 K CA 0.750 57.044 56.287 0.013 0.000 0.952 13 K CB -0.262 32.266 32.500 0.047 0.000 0.729 13 K HN 0.477 nan 8.250 nan 0.000 0.446 14 Q N 0.466 120.232 119.800 -0.058 0.000 2.002 14 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 14 Q C 2.251 178.159 176.000 -0.154 0.000 0.988 14 Q CA 1.450 57.180 55.803 -0.122 0.000 0.843 14 Q CB -0.291 28.347 28.738 -0.167 0.000 0.908 14 Q HN 0.219 nan 8.270 nan 0.000 0.420 15 R N 0.752 121.166 120.500 -0.144 0.000 2.133 15 R HA -0.225 4.115 4.340 -0.000 0.000 0.247 15 R C 2.228 178.409 176.300 -0.200 0.000 1.151 15 R CA 1.719 57.709 56.100 -0.182 0.000 0.971 15 R CB -0.209 30.019 30.300 -0.121 0.000 0.866 15 R HN 0.381 nan 8.270 nan 0.000 0.447 16 E N -0.015 120.108 120.200 -0.129 0.000 2.118 16 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 16 E C 1.731 178.245 176.600 -0.143 0.000 0.992 16 E CA 1.373 57.705 56.400 -0.112 0.000 0.804 16 E CB -0.001 29.663 29.700 -0.060 0.000 0.741 16 E HN 0.425 nan 8.360 nan 0.000 0.458 17 A N 0.253 122.984 122.820 -0.148 0.000 1.835 17 A HA -0.059 4.261 4.320 -0.000 0.000 0.213 17 A C 2.401 179.844 177.584 -0.236 0.000 1.210 17 A CA 1.140 53.088 52.037 -0.149 0.000 0.605 17 A CB -0.891 18.040 19.000 -0.116 0.000 0.860 17 A HN 0.178 nan 8.150 nan 0.000 0.447 18 V N 0.281 120.025 119.914 -0.284 0.000 2.236 18 V HA -0.366 3.754 4.120 -0.000 0.000 0.255 18 V C 2.905 178.480 176.094 -0.864 0.000 1.068 18 V CA 2.512 64.565 62.300 -0.411 0.000 1.044 18 V CB -1.312 30.294 31.823 -0.362 0.000 0.653 18 V HN 0.634 nan 8.190 nan 0.000 0.448 19 A N -0.517 121.724 122.820 -0.965 0.000 2.169 19 A HA 0.450 4.770 4.320 -0.000 0.000 0.212 19 A C 1.458 178.767 177.584 -0.459 0.000 1.153 19 A CA 0.726 52.004 52.037 -1.264 0.000 0.756 19 A CB -0.554 17.922 19.000 -0.874 0.000 0.813 19 A HN 0.682 nan 8.150 nan 0.000 0.471 20 A N 1.192 123.842 122.820 -0.284 0.000 2.536 20 A HA 0.415 4.735 4.320 -0.000 0.000 0.234 20 A C -2.055 175.539 177.584 0.017 0.000 1.076 20 A CA -0.376 51.605 52.037 -0.092 0.000 0.769 20 A CB -0.348 18.607 19.000 -0.076 0.000 1.020 20 A HN 0.349 nan 8.150 nan 0.000 0.508 21 P HA 0.211 nan 4.420 nan 0.000 0.288 21 P C -0.736 176.611 177.300 0.079 0.000 1.267 21 P CA -0.646 62.515 63.100 0.101 0.000 0.815 21 P CB 0.639 32.388 31.700 0.081 0.000 0.989 22 R N 1.812 122.369 120.500 0.095 0.000 3.853 22 R HA 0.053 4.393 4.340 -0.000 0.000 0.254 22 R C 0.281 176.613 176.300 0.053 0.000 0.565 22 R CA 1.151 57.294 56.100 0.073 0.000 1.000 22 R CB -0.850 29.489 30.300 0.065 0.000 0.943 22 R HN 0.688 nan 8.270 nan 0.000 0.331 23 S N 1.612 117.340 115.700 0.048 0.000 2.543 23 S HA 0.174 4.644 4.470 -0.000 0.000 0.274 23 S C -0.818 173.814 174.600 0.054 0.000 1.149 23 S CA -1.313 56.914 58.200 0.045 0.000 0.866 23 S CB 1.298 64.518 63.200 0.034 0.000 1.111 23 S HN 0.436 nan 8.310 nan 0.000 0.457 24 N N 1.821 120.563 118.700 0.069 0.000 2.394 24 N HA 0.266 5.006 4.740 -0.000 0.000 0.288 24 N C -0.641 174.942 175.510 0.122 0.000 1.272 24 N CA 0.387 53.502 53.050 0.109 0.000 1.004 24 N CB -0.693 37.844 38.487 0.083 0.000 1.393 24 N HN 0.555 nan 8.380 nan 0.000 0.488 25 L N 1.101 122.413 121.223 0.148 0.000 2.332 25 L HA 0.585 4.924 4.340 -0.000 0.000 0.269 25 L C -0.176 176.794 176.870 0.167 0.000 1.016 25 L CA -1.238 53.675 54.840 0.122 0.000 0.809 25 L CB 1.357 43.432 42.059 0.027 0.000 1.280 25 L HN 0.197 nan 8.230 nan 0.000 0.447 26 L N 1.765 123.071 121.223 0.138 0.000 2.415 26 L HA 0.435 4.775 4.340 -0.000 0.000 0.268 26 L C -0.826 176.042 176.870 -0.003 0.000 0.984 26 L CA -0.189 54.678 54.840 0.045 0.000 0.853 26 L CB 1.599 43.778 42.059 0.200 0.000 1.215 26 L HN 0.251 nan 8.230 nan 0.000 0.419 27 V N 6.198 126.078 119.914 -0.056 0.000 2.096 27 V HA 0.178 4.298 4.120 -0.000 0.000 0.259 27 V C 0.572 176.655 176.094 -0.019 0.000 1.420 27 V CA -0.416 61.862 62.300 -0.037 0.000 1.336 27 V CB 0.260 32.049 31.823 -0.057 0.000 1.394 27 V HN 0.692 nan 8.190 nan 0.000 0.494 28 L N 4.230 125.457 121.223 0.007 0.000 2.698 28 L HA 0.315 4.655 4.340 -0.000 0.000 0.272 28 L C 0.688 177.571 176.870 0.021 0.000 1.154 28 L CA 0.818 55.674 54.840 0.027 0.000 0.964 28 L CB -0.037 42.049 42.059 0.044 0.000 1.272 28 L HN 0.567 nan 8.230 nan 0.000 0.483 29 A N 4.277 127.106 122.820 0.015 0.000 2.318 29 A HA 0.804 5.124 4.320 -0.000 0.000 0.317 29 A C 0.184 177.776 177.584 0.013 0.000 1.159 29 A CA 0.031 52.071 52.037 0.004 0.000 0.799 29 A CB 1.049 20.036 19.000 -0.020 0.000 1.194 29 A HN 0.782 nan 8.150 nan 0.000 0.479 30 G N 0.085 108.897 108.800 0.019 0.000 2.613 30 G HA2 0.697 4.656 3.960 -0.000 0.000 0.303 30 G HA3 0.697 4.656 3.960 -0.000 0.000 0.303 30 G C 0.797 175.675 174.900 -0.036 0.000 1.312 30 G CA 0.175 45.293 45.100 0.030 0.000 1.036 30 G HN 2.124 nan 8.290 nan 0.000 0.513 31 A N -0.905 121.861 122.820 -0.090 0.000 5.469 31 A HA -0.007 4.313 4.320 -0.000 0.000 0.734 31 A C 1.750 179.258 177.584 -0.126 0.000 1.548 31 A CA 1.978 53.916 52.037 -0.165 0.000 2.370 31 A CB -1.387 17.550 19.000 -0.105 0.000 1.612 31 A HN 2.187 nan 8.150 nan 0.000 0.827 32 G N -1.555 107.180 108.800 -0.108 0.000 3.636 32 G HA2 0.431 4.391 3.960 -0.000 0.000 0.260 32 G HA3 0.431 4.391 3.960 -0.000 0.000 0.260 32 G C 0.832 175.703 174.900 -0.047 0.000 1.014 32 G CA 1.052 46.100 45.100 -0.087 0.000 1.797 32 G HN 1.526 nan 8.290 nan 0.000 0.637 33 S N -0.226 115.441 115.700 -0.055 0.000 2.527 33 S HA 0.289 4.759 4.470 -0.000 0.000 0.222 33 S C 1.704 176.251 174.600 -0.089 0.000 0.985 33 S CA 0.451 58.630 58.200 -0.035 0.000 0.921 33 S CB 0.187 63.364 63.200 -0.039 0.000 0.772 33 S HN 1.571 nan 8.310 nan 0.000 0.529 34 G N 1.777 110.509 108.800 -0.114 0.000 2.203 34 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.231 34 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.231 34 G C 0.613 175.433 174.900 -0.133 0.000 1.058 34 G CA 0.332 45.337 45.100 -0.158 0.000 0.781 34 G HN 0.803 nan 8.290 nan 0.000 0.496 35 K N -1.923 118.420 120.400 -0.096 0.000 2.211 35 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 35 K C 2.362 178.917 176.600 -0.074 0.000 1.047 35 K CA 2.226 58.466 56.287 -0.078 0.000 0.935 35 K CB -1.211 31.257 32.500 -0.053 0.000 0.728 35 K HN 0.700 nan 8.250 nan 0.000 0.452 36 T N 0.216 114.725 114.554 -0.075 0.000 2.985 36 T HA 0.042 4.392 4.350 -0.000 0.000 0.266 36 T C 1.963 176.630 174.700 -0.055 0.000 1.076 36 T CA 1.102 63.167 62.100 -0.060 0.000 1.135 36 T CB -0.243 68.590 68.868 -0.058 0.000 0.890 36 T HN 0.499 nan 8.240 nan 0.000 0.480 37 R N 0.979 121.424 120.500 -0.091 0.000 2.066 37 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 37 R C 2.244 178.485 176.300 -0.098 0.000 1.131 37 R CA 1.038 57.079 56.100 -0.099 0.000 0.955 37 R CB -0.583 29.584 30.300 -0.221 0.000 0.851 37 R HN 0.189 nan 8.270 nan 0.000 0.432 38 V N 1.297 121.127 119.914 -0.139 0.000 2.469 38 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 38 V C 2.104 178.168 176.094 -0.051 0.000 1.064 38 V CA 1.304 63.529 62.300 -0.125 0.000 1.066 38 V CB -0.340 31.412 31.823 -0.119 0.000 0.667 38 V HN 0.307 nan 8.190 nan 0.000 0.461 39 L N -0.028 121.176 121.223 -0.031 0.000 2.162 39 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 39 L C 2.487 179.367 176.870 0.017 0.000 1.086 39 L CA 1.917 56.748 54.840 -0.015 0.000 0.778 39 L CB -0.425 41.614 42.059 -0.033 0.000 0.928 39 L HN 0.358 nan 8.230 nan 0.000 0.446 40 V N -2.816 117.126 119.914 0.046 0.000 2.453 40 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 40 V C 2.318 178.425 176.094 0.021 0.000 1.048 40 V CA 1.633 63.950 62.300 0.028 0.000 1.049 40 V CB -0.880 30.950 31.823 0.011 0.000 0.672 40 V HN 0.457 nan 8.190 nan 0.000 0.457 41 H N 0.615 119.649 119.070 -0.062 0.000 2.363 41 H HA 0.077 4.633 4.556 -0.000 0.000 0.301 41 H C 2.320 177.652 175.328 0.007 0.000 1.074 41 H CA 1.916 57.933 56.048 -0.052 0.000 1.354 41 H CB -0.305 29.400 29.762 -0.094 0.000 1.397 41 H HN 0.402 nan 8.280 nan 0.000 0.516 42 R N 1.254 121.816 120.500 0.104 0.000 2.103 42 R HA -0.096 4.244 4.340 -0.000 0.000 0.242 42 R C 1.894 178.277 176.300 0.139 0.000 1.142 42 R CA 1.504 57.645 56.100 0.070 0.000 0.960 42 R CB -0.947 29.355 30.300 0.003 0.000 0.858 42 R HN 0.405 nan 8.270 nan 0.000 0.439 43 I N 0.123 120.744 120.570 0.085 0.000 2.193 43 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 43 I C 2.356 178.521 176.117 0.079 0.000 1.084 43 I CA 1.213 62.556 61.300 0.072 0.000 1.365 43 I CB -0.623 37.397 38.000 0.033 0.000 1.064 43 I HN 0.311 nan 8.210 nan 0.000 0.410 44 A N 1.034 123.877 122.820 0.039 0.000 1.927 44 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 44 A C 2.269 179.895 177.584 0.070 0.000 1.185 44 A CA 1.811 53.846 52.037 -0.004 0.000 0.639 44 A CB -1.234 17.682 19.000 -0.140 0.000 0.820 44 A HN 0.740 nan 8.150 nan 0.000 0.451 45 W N 0.671 121.932 121.300 -0.064 0.000 2.380 45 W HA -0.139 4.521 4.660 -0.000 0.000 0.317 45 W C 1.625 178.144 176.519 -0.000 0.000 1.196 45 W CA 1.658 58.985 57.345 -0.029 0.000 1.307 45 W CB -0.574 28.877 29.460 -0.016 0.000 1.157 45 W HN 0.289 nan 8.180 nan 0.000 0.483 46 L N 0.506 121.876 121.223 0.245 0.000 2.456 46 L HA -0.295 4.045 4.340 -0.000 0.000 0.225 46 L C 2.134 179.017 176.870 0.022 0.000 1.142 46 L CA 1.174 56.089 54.840 0.126 0.000 0.796 46 L CB -0.648 41.487 42.059 0.127 0.000 0.920 46 L HN 0.192 nan 8.230 nan 0.000 0.446 47 M N -2.113 117.487 119.600 -0.001 0.000 2.749 47 M HA 0.002 4.482 4.480 -0.000 0.000 0.240 47 M C 2.153 178.414 176.300 -0.065 0.000 1.285 47 M CA 0.679 55.971 55.300 -0.013 0.000 1.267 47 M CB -0.260 32.351 32.600 0.018 0.000 1.184 47 M HN -0.114 nan 8.290 nan 0.000 0.526 48 S N 0.514 116.171 115.700 -0.072 0.000 2.547 48 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 48 S C 1.592 176.045 174.600 -0.245 0.000 0.980 48 S CA 0.639 58.789 58.200 -0.083 0.000 0.941 48 S CB -0.098 63.134 63.200 0.054 0.000 0.763 48 S HN 0.219 nan 8.310 nan 0.000 0.532 49 V N 0.001 119.659 119.914 -0.426 0.000 3.161 49 V HA 0.155 4.275 4.120 -0.000 0.000 0.221 49 V C 1.535 177.407 176.094 -0.370 0.000 1.296 49 V CA 0.077 61.998 62.300 -0.632 0.000 1.306 49 V CB -0.066 30.789 31.823 -1.612 0.000 1.171 49 V HN 0.176 nan 8.190 nan 0.000 0.513 50 E N 0.825 120.856 120.200 -0.282 0.000 2.511 50 E HA 0.029 4.378 4.350 -0.000 0.000 0.196 50 E C 0.169 176.729 176.600 -0.067 0.000 1.066 50 E CA -0.013 56.328 56.400 -0.099 0.000 0.871 50 E CB -0.449 29.251 29.700 0.000 0.000 0.863 50 E HN 0.618 nan 8.360 nan 0.000 0.520 51 N N 0.199 118.846 118.700 -0.089 0.000 2.710 51 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 51 N C -0.451 175.047 175.510 -0.019 0.000 1.059 51 N CA 0.045 53.065 53.050 -0.051 0.000 0.720 51 N CB -1.119 37.339 38.487 -0.049 0.000 0.983 51 N HN 0.165 nan 8.380 nan 0.000 0.544 52 C N -0.441 118.856 119.300 -0.005 0.000 2.422 52 C HA 0.481 4.940 4.460 -0.000 0.000 0.364 52 C C 1.244 176.257 174.990 0.039 0.000 1.251 52 C CA -0.483 58.545 59.018 0.017 0.000 2.441 52 C CB 1.564 29.322 27.740 0.030 0.000 2.393 52 C HN 0.399 nan 8.230 nan 0.000 0.606 53 S N 0.961 116.696 115.700 0.059 0.000 2.554 53 S HA 0.300 4.770 4.470 -0.000 0.000 0.278 53 S C -1.609 173.082 174.600 0.152 0.000 1.242 53 S CA -1.061 57.206 58.200 0.112 0.000 1.051 53 S CB 0.979 64.252 63.200 0.121 0.000 0.986 53 S HN 0.522 nan 8.310 nan 0.000 0.502 54 P HA -0.157 nan 4.420 nan 0.000 0.217 54 P C 0.480 177.842 177.300 0.104 0.000 1.158 54 P CA 1.637 64.794 63.100 0.095 0.000 0.887 54 P CB -0.132 31.584 31.700 0.028 0.000 0.792 55 Y N -0.406 119.942 120.300 0.079 0.000 2.639 55 Y HA -0.136 4.414 4.550 -0.000 0.000 0.289 55 Y C 2.145 178.045 175.900 0.001 0.000 1.155 55 Y CA 1.263 59.398 58.100 0.058 0.000 1.379 55 Y CB -0.902 37.558 38.460 -0.000 0.000 0.967 55 Y HN 0.127 nan 8.280 nan 0.000 0.569 56 S N -1.412 114.389 115.700 0.168 0.000 2.539 56 S HA 0.259 4.729 4.470 -0.000 0.000 0.221 56 S C 0.223 174.980 174.600 0.262 0.000 0.987 56 S CA -0.365 57.907 58.200 0.121 0.000 0.929 56 S CB -0.283 62.948 63.200 0.052 0.000 0.832 56 S HN 0.193 nan 8.310 nan 0.000 0.492 57 I N 1.939 122.655 120.570 0.242 0.000 2.498 57 I HA 0.489 4.659 4.170 -0.000 0.000 0.301 57 I C -0.208 175.965 176.117 0.093 0.000 0.984 57 I CA -0.635 60.761 61.300 0.160 0.000 1.204 57 I CB 1.798 39.855 38.000 0.096 0.000 1.362 57 I HN 0.205 nan 8.210 nan 0.000 0.471 58 M N 5.748 125.324 119.600 -0.040 0.000 1.988 58 M HA 0.512 4.992 4.480 -0.000 0.000 0.243 58 M C -1.156 175.091 176.300 -0.090 0.000 0.897 58 M CA -0.404 54.788 55.300 -0.180 0.000 0.935 58 M CB 1.004 33.263 32.600 -0.569 0.000 1.956 58 M HN 0.681 nan 8.290 nan 0.000 0.389 59 A N 3.193 125.986 122.820 -0.045 0.000 2.440 59 A HA 0.639 4.959 4.320 -0.000 0.000 0.251 59 A C -0.667 176.845 177.584 -0.119 0.000 1.089 59 A CA -0.262 51.733 52.037 -0.070 0.000 0.779 59 A CB 0.428 19.399 19.000 -0.049 0.000 1.022 59 A HN 0.625 nan 8.150 nan 0.000 0.492 60 V N 3.075 122.870 119.914 -0.198 0.000 2.577 60 V HA 0.610 4.730 4.120 -0.000 0.000 0.303 60 V C 0.216 176.007 176.094 -0.505 0.000 1.042 60 V CA -0.197 61.875 62.300 -0.380 0.000 0.872 60 V CB 1.800 33.334 31.823 -0.482 0.000 0.998 60 V HN 1.154 nan 8.190 nan 0.000 0.423 61 T N 0.612 114.850 114.554 -0.528 0.000 2.807 61 T HA 0.648 4.998 4.350 -0.000 0.000 0.277 61 T C 0.408 174.743 174.700 -0.608 0.000 1.006 61 T CA -0.388 61.438 62.100 -0.457 0.000 1.006 61 T CB 1.698 70.454 68.868 -0.186 0.000 1.274 61 T HN 0.171 nan 8.240 nan 0.000 0.569 62 F N 0.921 120.783 119.950 -0.147 0.000 2.383 62 F HA 0.210 4.737 4.527 -0.000 0.000 0.287 62 F C 1.896 177.657 175.800 -0.066 0.000 1.069 62 F CA 0.282 58.237 58.000 -0.075 0.000 1.402 62 F CB 0.153 39.132 39.000 -0.035 0.000 1.116 62 F HN 0.709 nan 8.300 nan 0.000 0.549 63 T N -2.007 112.619 114.554 0.120 0.000 2.927 63 T HA 0.221 4.571 4.350 -0.000 0.000 0.281 63 T C 0.796 175.495 174.700 -0.001 0.000 0.998 63 T CA -0.737 61.388 62.100 0.042 0.000 1.019 63 T CB 1.254 70.148 68.868 0.043 0.000 1.061 63 T HN -0.043 nan 8.240 nan 0.000 0.518 64 N N 0.239 118.931 118.700 -0.013 0.000 2.300 64 N HA -0.037 4.703 4.740 -0.000 0.000 0.179 64 N C 1.718 177.226 175.510 -0.003 0.000 1.016 64 N CA 0.652 53.688 53.050 -0.023 0.000 0.876 64 N CB -0.169 38.296 38.487 -0.036 0.000 0.979 64 N HN 0.690 nan 8.380 nan 0.000 0.432 65 K N 1.273 121.681 120.400 0.014 0.000 2.097 65 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 65 K C 1.915 178.526 176.600 0.018 0.000 1.049 65 K CA 1.154 57.456 56.287 0.026 0.000 0.933 65 K CB 0.012 32.535 32.500 0.038 0.000 0.717 65 K HN 0.044 nan 8.250 nan 0.000 0.442 66 A N 0.986 123.811 122.820 0.009 0.000 1.902 66 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 66 A C 2.299 179.873 177.584 -0.016 0.000 1.181 66 A CA 1.857 53.893 52.037 -0.002 0.000 0.623 66 A CB -0.727 18.275 19.000 0.003 0.000 0.818 66 A HN 0.470 nan 8.150 nan 0.000 0.443 67 A N -0.280 122.524 122.820 -0.028 0.000 1.930 67 A HA 0.227 4.547 4.320 -0.000 0.000 0.217 67 A C 2.474 180.053 177.584 -0.009 0.000 1.175 67 A CA 1.867 53.882 52.037 -0.037 0.000 0.627 67 A CB -0.911 18.055 19.000 -0.057 0.000 0.815 67 A HN 1.009 nan 8.150 nan 0.000 0.443 68 A N -0.174 122.651 122.820 0.007 0.000 1.902 68 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 68 A C 2.049 179.674 177.584 0.068 0.000 1.181 68 A CA 1.784 53.840 52.037 0.032 0.000 0.623 68 A CB -0.500 18.521 19.000 0.036 0.000 0.818 68 A HN 0.692 nan 8.150 nan 0.000 0.443 69 E N -0.989 119.243 120.200 0.053 0.000 2.028 69 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 69 E C 1.965 178.580 176.600 0.026 0.000 0.988 69 E CA 1.554 57.986 56.400 0.052 0.000 0.799 69 E CB -0.239 29.467 29.700 0.010 0.000 0.755 69 E HN 0.457 nan 8.360 nan 0.000 0.447 70 M N 1.057 120.660 119.600 0.004 0.000 2.255 70 M HA -0.242 4.238 4.480 -0.000 0.000 0.260 70 M C 2.363 178.670 176.300 0.012 0.000 1.069 70 M CA 2.152 57.447 55.300 -0.009 0.000 1.089 70 M CB -0.419 32.168 32.600 -0.022 0.000 1.269 70 M HN -0.025 nan 8.290 nan 0.000 0.434 71 R N -1.135 119.380 120.500 0.025 0.000 2.113 71 R HA -0.250 4.090 4.340 -0.000 0.000 0.244 71 R C 2.417 178.772 176.300 0.091 0.000 1.142 71 R CA 2.533 58.656 56.100 0.039 0.000 0.953 71 R CB -0.912 29.404 30.300 0.026 0.000 0.860 71 R HN 0.782 nan 8.270 nan 0.000 0.438 72 H N -0.617 118.444 119.070 -0.015 0.000 2.267 72 H HA -0.139 4.417 4.556 -0.000 0.000 0.297 72 H C 2.181 177.500 175.328 -0.014 0.000 1.080 72 H CA 1.820 57.860 56.048 -0.012 0.000 1.278 72 H CB 0.075 29.832 29.762 -0.009 0.000 1.365 72 H HN 0.144 nan 8.280 nan 0.000 0.489 73 R N 0.202 120.657 120.500 -0.075 0.000 2.091 73 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 73 R C 2.636 178.899 176.300 -0.063 0.000 1.136 73 R CA 1.635 57.637 56.100 -0.163 0.000 0.959 73 R CB -0.166 30.044 30.300 -0.149 0.000 0.856 73 R HN 0.447 nan 8.270 nan 0.000 0.437 74 I N -0.166 120.390 120.570 -0.022 0.000 2.335 74 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 74 I C 2.355 178.470 176.117 -0.004 0.000 1.129 74 I CA 1.382 62.670 61.300 -0.021 0.000 1.402 74 I CB -0.546 37.452 38.000 -0.002 0.000 1.069 74 I HN 0.374 nan 8.210 nan 0.000 0.424 75 G N -0.007 108.815 108.800 0.037 0.000 2.464 75 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.214 75 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.214 75 G C 1.107 176.034 174.900 0.045 0.000 1.218 75 G CA -0.005 45.128 45.100 0.055 0.000 0.794 75 G HN 0.399 nan 8.290 nan 0.000 0.542 76 Q N -0.039 119.795 119.800 0.057 0.000 2.383 76 Q HA 0.287 4.627 4.340 -0.000 0.000 0.210 76 Q C 0.025 176.015 176.000 -0.017 0.000 0.891 76 Q CA 0.029 55.850 55.803 0.030 0.000 0.985 76 Q CB -0.077 28.673 28.738 0.021 0.000 1.409 76 Q HN 0.335 nan 8.270 nan 0.000 0.391 77 L N -1.458 119.753 121.223 -0.020 0.000 4.496 77 L HA 0.228 4.568 4.340 -0.000 0.000 0.451 77 L C -0.841 176.016 176.870 -0.022 0.000 1.083 77 L CA 0.386 55.189 54.840 -0.061 0.000 1.633 77 L CB 0.633 42.587 42.059 -0.175 0.000 1.550 77 L HN 0.190 nan 8.230 nan 0.000 0.593 78 M N -1.639 117.971 119.600 0.018 0.000 3.079 78 M HA 0.420 4.900 4.480 -0.000 0.000 0.511 78 M C -0.150 176.174 176.300 0.041 0.000 2.111 78 M CA -0.097 55.226 55.300 0.039 0.000 0.709 78 M CB 0.455 33.066 32.600 0.020 0.000 3.733 78 M HN -0.072 nan 8.290 nan 0.000 0.466 79 G N 0.761 109.583 108.800 0.037 0.000 2.365 79 G HA2 0.456 4.416 3.960 -0.000 0.000 0.293 79 G HA3 0.456 4.416 3.960 -0.000 0.000 0.293 79 G C 0.851 175.768 174.900 0.029 0.000 1.128 79 G CA 0.555 45.675 45.100 0.033 0.000 0.971 79 G HN 0.893 nan 8.290 nan 0.000 0.422 80 T N 1.813 116.384 114.554 0.028 0.000 2.668 80 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 80 T C 1.811 176.523 174.700 0.020 0.000 1.041 80 T CA 2.281 64.396 62.100 0.025 0.000 1.160 80 T CB -0.682 68.198 68.868 0.020 0.000 0.857 80 T HN 1.088 nan 8.240 nan 0.000 0.455 81 S N 1.371 117.083 115.700 0.020 0.000 2.423 81 S HA 0.576 5.046 4.470 -0.000 0.000 0.302 81 S C 0.371 174.985 174.600 0.023 0.000 1.143 81 S CA 0.383 58.594 58.200 0.020 0.000 1.080 81 S CB -0.762 62.453 63.200 0.024 0.000 1.081 81 S HN 1.115 nan 8.310 nan 0.000 0.522 82 Q N 2.126 121.935 119.800 0.014 0.000 2.259 82 Q HA 0.711 5.051 4.340 -0.000 0.000 0.246 82 Q C 0.936 176.932 176.000 -0.006 0.000 0.920 82 Q CA -0.363 55.446 55.803 0.008 0.000 0.895 82 Q CB 0.507 29.247 28.738 0.004 0.000 1.220 82 Q HN 1.265 nan 8.270 nan 0.000 0.439 83 G N 0.057 108.844 108.800 -0.021 0.000 2.522 83 G HA2 0.403 4.363 3.960 -0.000 0.000 0.223 83 G HA3 0.403 4.363 3.960 -0.000 0.000 0.223 83 G C 0.759 175.479 174.900 -0.300 0.000 1.565 83 G CA 0.145 45.195 45.100 -0.084 0.000 1.053 83 G HN 1.438 nan 8.290 nan 0.000 0.547 84 G N 0.228 108.453 108.800 -0.958 0.000 3.964 84 G HA2 0.475 4.435 3.960 -0.000 0.000 0.289 84 G HA3 0.475 4.435 3.960 -0.000 0.000 0.289 84 G C 0.178 174.840 174.900 -0.397 0.000 1.176 84 G CA -0.339 44.274 45.100 -0.812 0.000 1.553 84 G HN 0.651 nan 8.290 nan 0.000 0.588 85 M N -1.119 118.436 119.600 -0.076 0.000 2.528 85 M HA 0.751 5.231 4.480 -0.000 0.000 0.318 85 M C -1.340 175.190 176.300 0.382 0.000 1.195 85 M CA -1.022 54.362 55.300 0.141 0.000 1.000 85 M CB 1.897 34.541 32.600 0.072 0.000 1.615 85 M HN 0.016 nan 8.290 nan 0.000 0.469 86 W N 2.192 123.489 121.300 -0.004 0.000 2.314 86 W HA 0.594 5.254 4.660 -0.000 0.000 0.310 86 W C -1.409 175.047 176.519 -0.106 0.000 1.075 86 W CA -1.009 56.294 57.345 -0.070 0.000 1.253 86 W CB 1.387 30.744 29.460 -0.171 0.000 1.238 86 W HN 0.407 nan 8.180 nan 0.000 0.440 87 V N 4.783 124.747 119.914 0.084 0.000 2.380 87 V HA 0.770 4.890 4.120 -0.000 0.000 0.272 87 V C 0.308 176.371 176.094 -0.052 0.000 1.011 87 V CA -0.445 61.856 62.300 0.001 0.000 0.826 87 V CB 0.627 32.448 31.823 -0.003 0.000 1.040 87 V HN 0.650 nan 8.190 nan 0.000 0.441 88 G N 2.956 111.706 108.800 -0.084 0.000 3.085 88 G HA2 0.783 4.743 3.960 -0.000 0.000 0.264 88 G HA3 0.783 4.743 3.960 -0.000 0.000 0.264 88 G C -0.304 174.490 174.900 -0.177 0.000 1.206 88 G CA 0.191 45.219 45.100 -0.119 0.000 0.809 88 G HN 0.579 nan 8.290 nan 0.000 0.592 89 T N -2.363 112.088 114.554 -0.171 0.000 2.940 89 T HA 0.523 4.873 4.350 -0.000 0.000 0.288 89 T C 0.704 175.256 174.700 -0.247 0.000 1.045 89 T CA -0.583 61.379 62.100 -0.230 0.000 1.018 89 T CB 1.620 70.434 68.868 -0.091 0.000 1.151 89 T HN 0.199 nan 8.240 nan 0.000 0.529 90 F N 0.119 119.888 119.950 -0.302 0.000 2.126 90 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 90 F C 2.862 178.345 175.800 -0.529 0.000 1.096 90 F CA 1.425 59.128 58.000 -0.495 0.000 1.255 90 F CB -0.246 38.393 39.000 -0.601 0.000 0.997 90 F HN 0.679 nan 8.300 nan 0.000 0.479 91 H N -0.959 118.103 119.070 -0.013 0.000 2.363 91 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 91 H C 2.506 177.817 175.328 -0.028 0.000 1.074 91 H CA 1.254 57.282 56.048 -0.033 0.000 1.354 91 H CB -0.997 28.754 29.762 -0.018 0.000 1.397 91 H HN 0.331 nan 8.280 nan 0.000 0.516 92 G N 1.042 109.870 108.800 0.047 0.000 2.418 92 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 92 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 92 G C 1.901 176.792 174.900 -0.015 0.000 1.158 92 G CA 0.514 45.618 45.100 0.007 0.000 0.771 92 G HN 0.238 nan 8.290 nan 0.000 0.545 93 L N 0.519 121.704 121.223 -0.063 0.000 2.072 93 L HA 0.055 4.395 4.340 -0.000 0.000 0.205 93 L C 3.397 180.274 176.870 0.011 0.000 1.079 93 L CA 0.822 55.642 54.840 -0.032 0.000 0.752 93 L CB -0.458 41.681 42.059 0.134 0.000 0.906 93 L HN 0.281 nan 8.230 nan 0.000 0.436 94 A N -0.144 122.612 122.820 -0.105 0.000 1.883 94 A HA -0.322 3.998 4.320 -0.000 0.000 0.217 94 A C 2.136 179.727 177.584 0.010 0.000 1.186 94 A CA 2.127 54.085 52.037 -0.131 0.000 0.624 94 A CB -0.930 17.913 19.000 -0.262 0.000 0.822 94 A HN 0.529 nan 8.150 nan 0.000 0.444 95 H N -0.282 118.778 119.070 -0.016 0.000 2.289 95 H HA -0.208 4.348 4.556 -0.000 0.000 0.294 95 H C 2.190 177.544 175.328 0.043 0.000 1.095 95 H CA 2.464 58.554 56.048 0.069 0.000 1.256 95 H CB -0.261 29.539 29.762 0.062 0.000 1.359 95 H HN 0.395 nan 8.280 nan 0.000 0.487 96 R N -0.239 120.184 120.500 -0.128 0.000 2.119 96 R HA -0.136 4.204 4.340 -0.000 0.000 0.246 96 R C 2.482 178.711 176.300 -0.118 0.000 1.146 96 R CA 1.912 57.864 56.100 -0.247 0.000 0.962 96 R CB -0.363 29.643 30.300 -0.491 0.000 0.863 96 R HN 0.416 nan 8.270 nan 0.000 0.442 97 L N -0.409 120.803 121.223 -0.018 0.000 1.982 97 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 97 L C 2.256 179.064 176.870 -0.104 0.000 1.078 97 L CA 1.177 56.008 54.840 -0.015 0.000 0.749 97 L CB -0.707 41.359 42.059 0.012 0.000 0.894 97 L HN 0.197 nan 8.230 nan 0.000 0.436 98 L N -0.183 121.018 121.223 -0.037 0.000 2.386 98 L HA -0.268 4.072 4.340 -0.000 0.000 0.220 98 L C 2.867 179.844 176.870 0.179 0.000 1.115 98 L CA 0.949 55.802 54.840 0.022 0.000 0.780 98 L CB -0.548 41.495 42.059 -0.026 0.000 0.902 98 L HN 0.333 nan 8.230 nan 0.000 0.442 99 R N -0.566 119.981 120.500 0.079 0.000 2.075 99 R HA 0.098 4.438 4.340 -0.000 0.000 0.220 99 R C 2.337 178.698 176.300 0.102 0.000 1.118 99 R CA 1.191 57.344 56.100 0.088 0.000 0.986 99 R CB -0.663 29.532 30.300 -0.175 0.000 0.884 99 R HN 0.297 nan 8.270 nan 0.000 0.439 100 A N 1.319 124.101 122.820 -0.063 0.000 2.019 100 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 100 A C 0.613 178.187 177.584 -0.017 0.000 1.164 100 A CA 1.318 53.291 52.037 -0.106 0.000 0.644 100 A CB -0.306 18.529 19.000 -0.274 0.000 0.805 100 A HN 0.333 nan 8.150 nan 0.000 0.449 101 H N -1.442 117.742 119.070 0.190 0.000 2.637 101 H HA 0.118 4.674 4.556 -0.000 0.000 0.245 101 H C 1.102 176.432 175.328 0.004 0.000 1.190 101 H CA 0.087 56.183 56.048 0.080 0.000 0.934 101 H CB -0.920 28.901 29.762 0.098 0.000 1.950 101 H HN 0.826 nan 8.280 nan 0.000 0.614 102 H N -0.559 118.605 119.070 0.156 0.000 2.460 102 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 102 H C 1.468 176.867 175.328 0.120 0.000 1.103 102 H CA 1.119 57.261 56.048 0.156 0.000 1.292 102 H CB 0.080 29.978 29.762 0.227 0.000 1.376 102 H HN 0.185 nan 8.280 nan 0.000 0.531 103 M N 1.458 120.550 119.600 -0.846 0.000 2.156 103 M HA -0.078 4.401 4.480 -0.000 0.000 0.264 103 M C 1.689 177.891 176.300 -0.164 0.000 1.067 103 M CA 1.379 56.364 55.300 -0.525 0.000 1.131 103 M CB -0.103 32.214 32.600 -0.471 0.000 1.368 103 M HN 0.154 nan 8.290 nan 0.000 0.416 104 D N 0.463 120.818 120.400 -0.076 0.000 2.097 104 D HA -0.027 4.613 4.640 -0.000 0.000 0.195 104 D C 0.682 176.989 176.300 0.012 0.000 0.989 104 D CA 1.218 55.217 54.000 -0.001 0.000 0.827 104 D CB -0.334 40.496 40.800 0.050 0.000 0.966 104 D HN 0.378 nan 8.370 nan 0.000 0.456 105 A N 0.745 123.578 122.820 0.022 0.000 2.386 105 A HA 0.080 4.400 4.320 -0.000 0.000 0.248 105 A C 0.437 178.016 177.584 -0.008 0.000 1.082 105 A CA -0.198 51.842 52.037 0.004 0.000 0.789 105 A CB 0.063 19.052 19.000 -0.019 0.000 1.025 105 A HN 0.110 nan 8.150 nan 0.000 0.490 106 N N 0.737 119.431 118.700 -0.010 0.000 3.050 106 N HA 0.382 5.122 4.740 -0.000 0.000 0.289 106 N C -1.257 174.258 175.510 0.008 0.000 1.209 106 N CA -0.197 52.852 53.050 -0.002 0.000 1.154 106 N CB -0.495 37.992 38.487 -0.001 0.000 1.444 106 N HN 0.528 nan 8.380 nan 0.000 0.529 107 L N -0.159 121.095 121.223 0.052 0.000 2.568 107 L HA 0.710 5.050 4.340 -0.000 0.000 0.257 107 L C -2.818 174.232 176.870 0.300 0.000 1.024 107 L CA -2.249 52.661 54.840 0.117 0.000 0.854 107 L CB 0.841 42.912 42.059 0.020 0.000 1.460 107 L HN -0.001 nan 8.230 nan 0.000 0.409 108 P HA 0.001 nan 4.420 nan 0.000 0.272 108 P C 0.117 177.508 177.300 0.152 0.000 1.240 108 P CA -0.089 63.159 63.100 0.245 0.000 0.791 108 P CB 1.207 32.981 31.700 0.123 0.000 0.978 109 Q N 0.568 120.220 119.800 -0.247 0.000 2.124 109 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 109 Q C 0.447 176.230 176.000 -0.362 0.000 0.977 109 Q CA 1.770 57.183 55.803 -0.650 0.000 0.850 109 Q CB -0.708 27.712 28.738 -0.529 0.000 0.901 109 Q HN 0.511 nan 8.270 nan 0.000 0.429 110 D N 0.543 120.806 120.400 -0.229 0.000 2.863 110 D HA 0.221 4.861 4.640 -0.000 0.000 0.323 110 D C -0.152 176.034 176.300 -0.190 0.000 1.286 110 D CA -0.313 53.526 54.000 -0.268 0.000 0.921 110 D CB -0.476 40.221 40.800 -0.172 0.000 1.024 110 D HN 0.499 nan 8.370 nan 0.000 0.505 111 F N 0.179 120.113 119.950 -0.027 0.000 2.426 111 F HA 0.478 5.005 4.527 -0.000 0.000 0.309 111 F C 0.465 176.258 175.800 -0.012 0.000 1.246 111 F CA -0.868 57.123 58.000 -0.015 0.000 1.229 111 F CB 0.322 39.325 39.000 0.005 0.000 1.255 111 F HN -0.191 nan 8.300 nan 0.000 0.558 112 Q N 1.080 121.031 119.800 0.252 0.000 2.337 112 Q HA 0.507 4.847 4.340 -0.000 0.000 0.270 112 Q C -1.251 174.829 176.000 0.132 0.000 1.043 112 Q CA -0.481 55.384 55.803 0.103 0.000 0.794 112 Q CB 1.378 30.130 28.738 0.023 0.000 1.281 112 Q HN 0.717 nan 8.270 nan 0.000 0.446 113 I N 4.018 124.621 120.570 0.055 0.000 2.575 113 I HA 0.189 4.359 4.170 -0.000 0.000 0.285 113 I C -0.216 175.789 176.117 -0.186 0.000 1.085 113 I CA -0.452 60.813 61.300 -0.059 0.000 1.403 113 I CB 0.635 38.564 38.000 -0.119 0.000 1.409 113 I HN 0.510 nan 8.210 nan 0.000 0.557 114 L N 5.636 126.674 121.223 -0.308 0.000 2.280 114 L HA 0.261 4.600 4.340 -0.000 0.000 0.287 114 L C -0.133 176.391 176.870 -0.576 0.000 1.023 114 L CA -0.886 53.773 54.840 -0.302 0.000 0.819 114 L CB 1.081 43.038 42.059 -0.169 0.000 1.212 114 L HN 0.641 nan 8.230 nan 0.000 0.420 115 D N 1.297 121.490 120.400 -0.345 0.000 2.414 115 D HA 0.061 4.701 4.640 -0.000 0.000 0.251 115 D C 0.925 177.206 176.300 -0.032 0.000 1.252 115 D CA -0.540 53.337 54.000 -0.205 0.000 0.999 115 D CB 0.717 41.555 40.800 0.064 0.000 1.093 115 D HN 0.266 nan 8.370 nan 0.000 0.515 116 S N -0.988 114.821 115.700 0.183 0.000 2.370 116 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 116 S C 1.579 176.241 174.600 0.102 0.000 1.033 116 S CA 1.417 59.709 58.200 0.154 0.000 1.011 116 S CB -0.397 62.911 63.200 0.180 0.000 0.852 116 S HN 0.680 nan 8.310 nan 0.000 0.457 117 E N 0.968 121.222 120.200 0.090 0.000 2.038 117 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 117 E C 1.396 178.039 176.600 0.072 0.000 1.000 117 E CA 1.520 57.967 56.400 0.078 0.000 0.803 117 E CB -0.088 29.654 29.700 0.069 0.000 0.750 117 E HN 0.391 nan 8.360 nan 0.000 0.448 118 D N 0.379 120.811 120.400 0.054 0.000 2.106 118 D HA -0.247 4.393 4.640 -0.000 0.000 0.191 118 D C 1.950 178.296 176.300 0.077 0.000 0.997 118 D CA 1.190 55.219 54.000 0.049 0.000 0.834 118 D CB -0.517 40.289 40.800 0.010 0.000 0.956 118 D HN 0.339 nan 8.370 nan 0.000 0.448 119 Q N -0.123 119.726 119.800 0.081 0.000 2.135 119 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 119 Q C 2.269 178.368 176.000 0.165 0.000 0.981 119 Q CA 0.806 56.702 55.803 0.155 0.000 0.856 119 Q CB -0.105 28.710 28.738 0.127 0.000 0.902 119 Q HN 0.140 nan 8.270 nan 0.000 0.425 120 L N 0.514 121.811 121.223 0.124 0.000 1.988 120 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 120 L C 2.397 179.342 176.870 0.125 0.000 1.071 120 L CA 1.762 56.675 54.840 0.121 0.000 0.744 120 L CB -0.401 41.720 42.059 0.103 0.000 0.893 120 L HN 0.067 nan 8.230 nan 0.000 0.433 121 R N -1.005 119.559 120.500 0.108 0.000 2.096 121 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 121 R C 2.084 178.451 176.300 0.112 0.000 1.139 121 R CA 1.677 57.837 56.100 0.100 0.000 0.952 121 R CB -1.035 29.315 30.300 0.084 0.000 0.854 121 R HN 0.255 nan 8.270 nan 0.000 0.436 122 L N 0.043 121.341 121.223 0.125 0.000 2.263 122 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 122 L C 1.439 178.412 176.870 0.172 0.000 1.111 122 L CA 1.572 56.491 54.840 0.132 0.000 0.773 122 L CB -0.219 41.923 42.059 0.139 0.000 0.906 122 L HN 0.146 nan 8.230 nan 0.000 0.439 123 L N -0.884 120.454 121.223 0.192 0.000 2.145 123 L HA -0.069 4.271 4.340 -0.000 0.000 0.201 123 L C 2.445 179.409 176.870 0.155 0.000 1.075 123 L CA 1.542 56.501 54.840 0.198 0.000 0.773 123 L CB -0.909 41.270 42.059 0.199 0.000 0.936 123 L HN 0.272 nan 8.230 nan 0.000 0.451 124 K N -0.410 120.071 120.400 0.135 0.000 2.113 124 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 124 K C 2.280 178.935 176.600 0.092 0.000 1.047 124 K CA 1.427 57.782 56.287 0.113 0.000 0.928 124 K CB 0.014 32.573 32.500 0.098 0.000 0.716 124 K HN 0.171 nan 8.250 nan 0.000 0.446 125 R N 0.385 120.938 120.500 0.088 0.000 2.064 125 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 125 R C 2.468 178.802 176.300 0.056 0.000 1.144 125 R CA 1.654 57.795 56.100 0.068 0.000 0.932 125 R CB -0.399 29.941 30.300 0.066 0.000 0.833 125 R HN 0.248 nan 8.270 nan 0.000 0.429 126 L N 0.546 121.811 121.223 0.070 0.000 2.191 126 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 126 L C 2.370 179.261 176.870 0.035 0.000 1.103 126 L CA 0.941 55.813 54.840 0.054 0.000 0.769 126 L CB -0.335 41.775 42.059 0.084 0.000 0.908 126 L HN 0.275 nan 8.230 nan 0.000 0.438 127 I N -0.134 120.468 120.570 0.053 0.000 2.439 127 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 127 I C 2.440 178.553 176.117 -0.007 0.000 1.139 127 I CA 1.251 62.563 61.300 0.019 0.000 1.438 127 I CB -0.026 38.021 38.000 0.078 0.000 1.085 127 I HN 0.230 nan 8.210 nan 0.000 0.427 128 K N 0.603 121.014 120.400 0.018 0.000 2.103 128 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 128 K C 2.229 178.824 176.600 -0.009 0.000 1.052 128 K CA 1.192 57.484 56.287 0.010 0.000 0.945 128 K CB -0.174 32.340 32.500 0.024 0.000 0.722 128 K HN 0.245 nan 8.250 nan 0.000 0.443 129 A N 1.673 124.488 122.820 -0.008 0.000 1.908 129 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 129 A C 2.518 180.080 177.584 -0.037 0.000 1.181 129 A CA 2.353 54.379 52.037 -0.017 0.000 0.627 129 A CB -0.884 18.108 19.000 -0.013 0.000 0.818 129 A HN 0.351 nan 8.150 nan 0.000 0.445 130 M N -1.700 117.866 119.600 -0.058 0.000 2.659 130 M HA 0.336 4.816 4.480 -0.000 0.000 0.243 130 M C 1.610 177.847 176.300 -0.106 0.000 1.111 130 M CA 2.100 57.342 55.300 -0.098 0.000 1.070 130 M CB -2.569 29.940 32.600 -0.152 0.000 1.525 130 M HN 1.879 nan 8.290 nan 0.000 0.517 131 N N -2.069 116.590 118.700 -0.068 0.000 2.929 131 N HA 0.178 4.918 4.740 -0.000 0.000 0.234 131 N C 1.228 176.707 175.510 -0.053 0.000 0.908 131 N CA 1.418 54.440 53.050 -0.048 0.000 0.993 131 N CB -2.695 35.766 38.487 -0.043 0.000 1.075 131 N HN 2.422 nan 8.380 nan 0.000 0.603 132 L N -0.704 120.447 121.223 -0.119 0.000 2.573 132 L HA 0.479 4.819 4.340 -0.000 0.000 0.290 132 L C 1.018 177.910 176.870 0.036 0.000 1.247 132 L CA 1.314 56.071 54.840 -0.137 0.000 0.876 132 L CB -1.279 40.547 42.059 -0.388 0.000 1.123 132 L HN 1.585 nan 8.230 nan 0.000 0.505 133 D N 1.574 122.070 120.400 0.160 0.000 2.345 133 D HA 0.521 5.161 4.640 -0.000 0.000 0.247 133 D C 1.208 177.614 176.300 0.177 0.000 1.108 133 D CA 0.880 54.970 54.000 0.150 0.000 0.894 133 D CB 0.333 41.218 40.800 0.140 0.000 1.203 133 D HN 1.563 nan 8.370 nan 0.000 0.430 134 E N 0.129 120.401 120.200 0.120 0.000 2.019 134 E HA -0.137 4.213 4.350 -0.000 0.000 0.208 134 E C 2.388 179.073 176.600 0.141 0.000 1.030 134 E CA 2.880 59.352 56.400 0.121 0.000 0.856 134 E CB -1.346 28.405 29.700 0.084 0.000 0.781 134 E HN 1.094 nan 8.360 nan 0.000 0.471 135 K N -0.139 120.321 120.400 0.100 0.000 2.555 135 K HA 0.267 4.587 4.320 -0.000 0.000 0.193 135 K C 2.378 179.010 176.600 0.054 0.000 1.032 135 K CA 1.660 57.995 56.287 0.080 0.000 1.004 135 K CB -1.130 31.398 32.500 0.046 0.000 0.804 135 K HN 0.765 nan 8.250 nan 0.000 0.496 136 Q N -0.973 118.871 119.800 0.074 0.000 2.163 136 Q HA 0.182 4.522 4.340 -0.000 0.000 0.198 136 Q C 0.375 176.177 176.000 -0.331 0.000 0.954 136 Q CA 1.032 56.780 55.803 -0.092 0.000 0.851 136 Q CB -0.379 28.407 28.738 0.080 0.000 0.928 136 Q HN 0.895 nan 8.270 nan 0.000 0.459 137 W N 0.814 122.118 121.300 0.007 0.000 2.409 137 W HA 0.443 5.103 4.660 -0.000 0.000 0.285 137 W C -2.734 173.931 176.519 0.242 0.000 1.030 137 W CA -2.587 54.786 57.345 0.047 0.000 1.330 137 W CB 1.016 30.227 29.460 -0.416 0.000 1.236 137 W HN 0.054 nan 8.180 nan 0.000 0.341 138 P HA 0.189 nan 4.420 nan 0.000 0.274 138 P C -2.009 175.506 177.300 0.358 0.000 1.260 138 P CA -0.707 62.591 63.100 0.329 0.000 0.793 138 P CB 1.535 33.371 31.700 0.228 0.000 1.048 139 P HA -0.128 nan 4.420 nan 0.000 0.210 139 P C 1.861 179.275 177.300 0.191 0.000 1.191 139 P CA 1.225 64.451 63.100 0.211 0.000 0.917 139 P CB -0.335 31.458 31.700 0.154 0.000 0.778 140 R N -0.580 120.012 120.500 0.153 0.000 2.143 140 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 140 R C 2.579 178.972 176.300 0.155 0.000 1.126 140 R CA 2.039 58.219 56.100 0.132 0.000 0.927 140 R CB -2.345 28.010 30.300 0.092 0.000 0.860 140 R HN 0.349 nan 8.270 nan 0.000 0.433 141 Q N -0.484 119.402 119.800 0.144 0.000 2.082 141 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 141 Q C 2.632 178.538 176.000 -0.157 0.000 1.002 141 Q CA 1.702 57.538 55.803 0.054 0.000 0.868 141 Q CB -1.264 27.462 28.738 -0.021 0.000 0.931 141 Q HN 0.806 nan 8.270 nan 0.000 0.414 142 A N 0.183 122.973 122.820 -0.050 0.000 1.873 142 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 142 A C 2.170 179.791 177.584 0.061 0.000 1.193 142 A CA 2.304 54.392 52.037 0.084 0.000 0.629 142 A CB -0.727 18.509 19.000 0.393 0.000 0.826 142 A HN 0.603 nan 8.150 nan 0.000 0.447 143 M N -1.778 117.877 119.600 0.092 0.000 2.065 143 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 143 M C 1.976 178.330 176.300 0.090 0.000 1.069 143 M CA 2.646 57.984 55.300 0.063 0.000 1.110 143 M CB -0.359 32.303 32.600 0.104 0.000 1.328 143 M HN 0.667 nan 8.290 nan 0.000 0.405 144 W N 0.400 121.667 121.300 -0.055 0.000 2.304 144 W HA -0.325 4.335 4.660 -0.000 0.000 0.328 144 W C 2.186 178.643 176.519 -0.104 0.000 1.242 144 W CA 2.308 59.617 57.345 -0.060 0.000 1.243 144 W CB -1.682 27.748 29.460 -0.051 0.000 1.170 144 W HN 0.484 nan 8.180 nan 0.000 0.460 145 Y N 0.907 120.877 120.300 -0.550 0.000 2.030 145 Y HA -0.390 4.160 4.550 -0.000 0.000 0.272 145 Y C 2.513 178.108 175.900 -0.509 0.000 1.185 145 Y CA 3.189 60.814 58.100 -0.793 0.000 1.120 145 Y CB -1.119 36.881 38.460 -0.766 0.000 0.955 145 Y HN 0.106 nan 8.280 nan 0.000 0.495 146 I N 0.383 120.715 120.570 -0.397 0.000 2.091 146 I HA -0.435 3.735 4.170 -0.000 0.000 0.239 146 I C 2.249 178.174 176.117 -0.321 0.000 1.061 146 I CA 2.191 63.276 61.300 -0.358 0.000 1.317 146 I CB -0.801 37.123 38.000 -0.126 0.000 1.031 146 I HN 0.395 nan 8.210 nan 0.000 0.401 147 N N 0.294 118.879 118.700 -0.191 0.000 2.061 147 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 147 N C 1.964 177.366 175.510 -0.179 0.000 1.030 147 N CA 1.669 54.658 53.050 -0.103 0.000 0.856 147 N CB -0.081 38.409 38.487 0.006 0.000 1.023 147 N HN 0.255 nan 8.380 nan 0.000 0.424 148 S N 0.445 115.972 115.700 -0.289 0.000 2.353 148 S HA -0.249 4.221 4.470 -0.000 0.000 0.222 148 S C 2.526 176.888 174.600 -0.396 0.000 1.035 148 S CA 1.781 59.782 58.200 -0.332 0.000 1.025 148 S CB -0.872 62.022 63.200 -0.510 0.000 0.902 148 S HN 0.601 nan 8.310 nan 0.000 0.440 149 Q N 1.029 120.460 119.800 -0.614 0.000 2.368 149 Q HA -0.112 4.228 4.340 -0.000 0.000 0.210 149 Q C 1.797 177.567 176.000 -0.383 0.000 0.982 149 Q CA 1.738 57.160 55.803 -0.635 0.000 0.884 149 Q CB -0.797 27.282 28.738 -1.098 0.000 0.933 149 Q HN 0.659 nan 8.270 nan 0.000 0.460 150 K N -0.409 119.836 120.400 -0.257 0.000 2.214 150 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 150 K C 1.218 177.742 176.600 -0.127 0.000 1.049 150 K CA 0.481 56.696 56.287 -0.121 0.000 0.978 150 K CB 0.467 32.954 32.500 -0.022 0.000 0.842 150 K HN 0.373 nan 8.250 nan 0.000 0.474 151 D N 1.443 121.765 120.400 -0.130 0.000 2.392 151 D HA -0.099 4.540 4.640 -0.000 0.000 0.228 151 D C 1.224 177.445 176.300 -0.132 0.000 1.003 151 D CA 0.962 54.892 54.000 -0.117 0.000 0.917 151 D CB 0.325 41.067 40.800 -0.096 0.000 0.890 151 D HN 0.200 nan 8.370 nan 0.000 0.532 152 E N -0.751 119.357 120.200 -0.154 0.000 2.372 152 E HA 0.134 4.484 4.350 -0.000 0.000 0.201 152 E C 1.470 177.974 176.600 -0.159 0.000 0.938 152 E CA 0.518 56.831 56.400 -0.145 0.000 0.944 152 E CB 1.058 30.664 29.700 -0.157 0.000 0.937 152 E HN 0.255 nan 8.360 nan 0.000 0.495 153 G N 1.439 110.129 108.800 -0.183 0.000 2.148 153 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.203 153 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.203 153 G C 0.015 174.762 174.900 -0.255 0.000 0.993 153 G CA 0.005 44.977 45.100 -0.213 0.000 0.661 153 G HN 0.112 nan 8.290 nan 0.000 0.518 154 L N 1.621 122.705 121.223 -0.231 0.000 2.265 154 L HA 0.597 4.937 4.340 -0.000 0.000 0.289 154 L C 1.200 177.975 176.870 -0.158 0.000 1.033 154 L CA -1.214 53.483 54.840 -0.239 0.000 0.814 154 L CB 0.902 42.868 42.059 -0.156 0.000 1.203 154 L HN 0.008 nan 8.230 nan 0.000 0.423 155 R N 4.448 124.855 120.500 -0.156 0.000 2.811 155 R HA 0.237 4.577 4.340 -0.000 0.000 0.237 155 R C -1.336 175.222 176.300 0.429 0.000 1.231 155 R CA -1.704 54.506 56.100 0.182 0.000 1.070 155 R CB -0.336 30.046 30.300 0.136 0.000 1.126 155 R HN 0.319 nan 8.270 nan 0.000 0.540 156 P HA -0.073 nan 4.420 nan 0.000 0.221 156 P C 0.727 178.237 177.300 0.350 0.000 1.155 156 P CA 1.454 64.866 63.100 0.520 0.000 0.812 156 P CB -0.022 31.877 31.700 0.331 0.000 0.801 157 H N -2.205 117.001 119.070 0.226 0.000 2.551 157 H HA 0.102 4.658 4.556 -0.000 0.000 0.266 157 H C 1.574 176.921 175.328 0.031 0.000 0.964 157 H CA 0.403 56.510 56.048 0.097 0.000 1.180 157 H CB -1.288 28.489 29.762 0.026 0.000 1.408 157 H HN 0.306 nan 8.280 nan 0.000 0.563 158 H N 1.134 120.020 119.070 -0.306 0.000 2.547 158 H HA 0.139 4.695 4.556 -0.000 0.000 0.272 158 H C 1.049 176.334 175.328 -0.072 0.000 0.989 158 H CA 0.619 56.543 56.048 -0.207 0.000 1.214 158 H CB 0.881 30.491 29.762 -0.253 0.000 1.389 158 H HN 0.410 nan 8.280 nan 0.000 0.577 159 I N -1.338 119.279 120.570 0.078 0.000 2.676 159 I HA 0.657 4.827 4.170 -0.000 0.000 0.309 159 I C -0.017 176.152 176.117 0.087 0.000 0.990 159 I CA -0.959 60.382 61.300 0.068 0.000 1.168 159 I CB 1.470 39.509 38.000 0.064 0.000 1.343 159 I HN -0.050 nan 8.210 nan 0.000 0.482 160 Q N 2.071 121.920 119.800 0.082 0.000 2.472 160 Q HA 0.653 4.993 4.340 -0.000 0.000 0.281 160 Q C -0.430 175.614 176.000 0.074 0.000 0.997 160 Q CA -0.304 55.545 55.803 0.077 0.000 0.828 160 Q CB 0.725 29.497 28.738 0.056 0.000 1.443 160 Q HN 1.236 nan 8.270 nan 0.000 0.390 167 E N -1.128 119.148 120.200 0.126 0.000 3.100 167 E HA 0.337 4.687 4.350 -0.000 0.000 0.191 167 E C 1.763 178.443 176.600 0.134 0.000 1.097 167 E CA 1.759 58.249 56.400 0.150 0.000 1.339 167 E CB -0.215 29.546 29.700 0.102 0.000 1.330 167 E HN 1.869 nan 8.360 nan 0.000 0.511 168 Q N 1.123 120.982 119.800 0.098 0.000 2.576 168 Q HA -0.094 4.246 4.340 -0.000 0.000 0.218 168 Q C 2.259 178.296 176.000 0.062 0.000 0.983 168 Q CA 2.344 58.201 55.803 0.090 0.000 0.920 168 Q CB -1.410 27.370 28.738 0.071 0.000 0.973 168 Q HN 0.785 nan 8.270 nan 0.000 0.528 169 T N -3.901 110.662 114.554 0.016 0.000 2.894 169 T HA -0.119 4.231 4.350 -0.000 0.000 0.258 169 T C 1.568 176.180 174.700 -0.147 0.000 1.043 169 T CA 0.762 62.762 62.100 -0.167 0.000 1.141 169 T CB -0.480 68.142 68.868 -0.409 0.000 0.873 169 T HN 0.755 nan 8.240 nan 0.000 0.449 170 W N 1.917 123.189 121.300 -0.046 0.000 2.350 170 W HA -0.061 4.599 4.660 -0.000 0.000 0.289 170 W C 2.904 179.455 176.519 0.054 0.000 1.215 170 W CA 0.648 57.927 57.345 -0.110 0.000 1.236 170 W CB -0.169 28.923 29.460 -0.612 0.000 1.130 170 W HN 0.278 nan 8.180 nan 0.000 0.541 171 Q N 1.319 121.299 119.800 0.301 0.000 2.167 171 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 171 Q C 2.434 178.618 176.000 0.306 0.000 0.970 171 Q CA 2.295 58.323 55.803 0.376 0.000 0.855 171 Q CB -0.097 28.799 28.738 0.264 0.000 0.911 171 Q HN 0.356 nan 8.270 nan 0.000 0.438 172 K N 0.089 120.584 120.400 0.159 0.000 2.001 172 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 172 K C 2.062 178.732 176.600 0.117 0.000 1.048 172 K CA 1.461 57.799 56.287 0.086 0.000 0.932 172 K CB -1.380 31.099 32.500 -0.034 0.000 0.715 172 K HN 0.155 nan 8.250 nan 0.000 0.437 173 V N 0.023 120.004 119.914 0.111 0.000 2.231 173 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 173 V C 2.414 178.669 176.094 0.269 0.000 1.058 173 V CA 2.302 64.699 62.300 0.161 0.000 1.022 173 V CB -0.765 31.189 31.823 0.217 0.000 0.640 173 V HN 0.681 nan 8.190 nan 0.000 0.445 174 Y N 1.594 122.035 120.300 0.235 0.000 2.332 174 Y HA -0.338 4.212 4.550 -0.000 0.000 0.283 174 Y C 2.390 178.421 175.900 0.219 0.000 1.186 174 Y CA 2.462 60.696 58.100 0.222 0.000 1.266 174 Y CB -0.686 37.913 38.460 0.231 0.000 0.973 174 Y HN 0.412 nan 8.280 nan 0.000 0.548 175 Q N -0.087 119.777 119.800 0.107 0.000 2.036 175 Q HA 0.117 4.457 4.340 -0.000 0.000 0.195 175 Q C 2.655 178.660 176.000 0.007 0.000 0.971 175 Q CA 1.632 57.440 55.803 0.009 0.000 0.826 175 Q CB -1.534 27.243 28.738 0.065 0.000 0.896 175 Q HN 0.611 nan 8.270 nan 0.000 0.449 176 A N 0.046 122.895 122.820 0.049 0.000 1.870 176 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 176 A C 2.164 179.769 177.584 0.034 0.000 1.224 176 A CA 2.269 54.326 52.037 0.034 0.000 0.650 176 A CB -1.294 17.734 19.000 0.048 0.000 0.836 176 A HN 0.922 nan 8.150 nan 0.000 0.454 177 Y N 0.147 120.435 120.300 -0.020 0.000 2.002 177 Y HA -0.381 4.169 4.550 -0.000 0.000 0.268 177 Y C 2.640 178.491 175.900 -0.081 0.000 1.177 177 Y CA 2.963 61.049 58.100 -0.024 0.000 1.111 177 Y CB -0.708 37.763 38.460 0.018 0.000 0.952 177 Y HN 0.405 nan 8.280 nan 0.000 0.491 178 Q N 0.290 120.075 119.800 -0.025 0.000 2.062 178 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 178 Q C 2.478 178.366 176.000 -0.186 0.000 0.996 178 Q CA 3.050 58.754 55.803 -0.166 0.000 0.859 178 Q CB -0.871 27.732 28.738 -0.225 0.000 0.920 178 Q HN 0.707 nan 8.270 nan 0.000 0.415 179 E N -0.187 119.938 120.200 -0.126 0.000 2.023 179 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 179 E C 2.040 178.567 176.600 -0.122 0.000 1.003 179 E CA 1.912 58.252 56.400 -0.099 0.000 0.809 179 E CB -1.453 28.210 29.700 -0.061 0.000 0.755 179 E HN 0.589 nan 8.360 nan 0.000 0.449 180 A N 0.445 123.182 122.820 -0.138 0.000 1.869 180 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 180 A C 2.717 180.196 177.584 -0.175 0.000 1.203 180 A CA 2.314 54.267 52.037 -0.141 0.000 0.638 180 A CB -1.409 17.504 19.000 -0.145 0.000 0.831 180 A HN 0.741 nan 8.150 nan 0.000 0.450 181 C N -0.410 118.716 119.300 -0.289 0.000 2.376 181 C HA -0.156 4.304 4.460 -0.000 0.000 0.275 181 C C 2.327 177.221 174.990 -0.161 0.000 1.200 181 C CA 1.222 60.074 59.018 -0.276 0.000 1.756 181 C CB -1.424 26.056 27.740 -0.433 0.000 2.050 181 C HN 0.618 nan 8.230 nan 0.000 0.460 182 D N -0.425 119.887 120.400 -0.147 0.000 2.310 182 D HA -0.095 4.545 4.640 -0.000 0.000 0.212 182 D C 2.286 178.549 176.300 -0.062 0.000 0.965 182 D CA 0.770 54.715 54.000 -0.091 0.000 0.879 182 D CB -0.498 40.254 40.800 -0.080 0.000 0.921 182 D HN 0.587 nan 8.370 nan 0.000 0.510 183 R N 0.423 120.880 120.500 -0.071 0.000 2.173 183 R HA 0.112 4.452 4.340 -0.000 0.000 0.208 183 R C 1.637 177.911 176.300 -0.044 0.000 1.035 183 R CA 0.749 56.819 56.100 -0.050 0.000 1.004 183 R CB 0.212 30.479 30.300 -0.055 0.000 0.917 183 R HN 0.005 nan 8.270 nan 0.000 0.462 184 A N -0.245 122.542 122.820 -0.055 0.000 2.267 184 A HA 0.278 4.598 4.320 -0.000 0.000 0.213 184 A C 1.069 178.638 177.584 -0.025 0.000 1.192 184 A CA 0.529 52.540 52.037 -0.043 0.000 0.851 184 A CB 0.259 19.227 19.000 -0.052 0.000 0.881 184 A HN 0.478 nan 8.150 nan 0.000 0.494 185 G N -0.564 108.225 108.800 -0.017 0.000 2.204 185 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.244 185 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.244 185 G C -0.126 174.803 174.900 0.048 0.000 1.062 185 G CA 0.310 45.428 45.100 0.030 0.000 0.798 185 G HN 0.413 nan 8.290 nan 0.000 0.496 186 L N -0.941 120.270 121.223 -0.019 0.000 2.358 186 L HA 0.890 5.230 4.340 -0.000 0.000 0.268 186 L C 0.253 177.083 176.870 -0.068 0.000 1.032 186 L CA -1.383 53.438 54.840 -0.032 0.000 0.805 186 L CB 2.161 44.167 42.059 -0.089 0.000 1.253 186 L HN -0.010 nan 8.230 nan 0.000 0.452 187 V N 0.367 120.250 119.914 -0.052 0.000 2.852 187 V HA 0.240 4.360 4.120 -0.000 0.000 0.300 187 V C -1.389 174.657 176.094 -0.080 0.000 1.205 187 V CA -0.926 61.328 62.300 -0.077 0.000 0.940 187 V CB 2.290 34.031 31.823 -0.137 0.000 1.047 187 V HN 0.847 nan 8.190 nan 0.000 0.429 188 D N 2.878 123.251 120.400 -0.046 0.000 2.326 188 D HA 0.420 5.060 4.640 -0.000 0.000 0.251 188 D C 1.040 177.300 176.300 -0.066 0.000 1.023 188 D CA -0.744 53.187 54.000 -0.116 0.000 0.966 188 D CB 1.014 41.848 40.800 0.056 0.000 1.156 188 D HN 0.180 nan 8.370 nan 0.000 0.494 189 F N 0.934 120.879 119.950 -0.008 0.000 2.039 189 F HA -0.275 4.252 4.527 -0.000 0.000 0.296 189 F C 2.776 178.611 175.800 0.059 0.000 1.119 189 F CA 2.230 60.187 58.000 -0.072 0.000 1.211 189 F CB -1.486 37.372 39.000 -0.237 0.000 0.956 189 F HN 0.574 nan 8.300 nan 0.000 0.496 190 A N -0.421 122.555 122.820 0.260 0.000 1.892 190 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 190 A C 2.106 179.755 177.584 0.108 0.000 1.188 190 A CA 2.076 54.217 52.037 0.174 0.000 0.631 190 A CB -1.058 18.000 19.000 0.097 0.000 0.822 190 A HN 0.393 nan 8.150 nan 0.000 0.447 191 E N 0.081 120.337 120.200 0.094 0.000 2.147 191 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 191 E C 1.711 178.314 176.600 0.006 0.000 1.005 191 E CA 1.489 57.915 56.400 0.044 0.000 0.810 191 E CB -0.530 29.189 29.700 0.033 0.000 0.736 191 E HN 0.614 nan 8.360 nan 0.000 0.460 192 L N -0.366 120.887 121.223 0.051 0.000 2.079 192 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 192 L C 2.347 179.177 176.870 -0.068 0.000 1.081 192 L CA 1.113 55.971 54.840 0.029 0.000 0.752 192 L CB -0.298 41.865 42.059 0.172 0.000 0.896 192 L HN 0.254 nan 8.230 nan 0.000 0.433 193 L N -1.909 119.259 121.223 -0.092 0.000 2.034 193 L HA -0.166 4.174 4.340 -0.000 0.000 0.203 193 L C 2.438 179.224 176.870 -0.140 0.000 1.074 193 L CA 0.365 55.051 54.840 -0.257 0.000 0.748 193 L CB -0.673 41.201 42.059 -0.308 0.000 0.905 193 L HN 0.150 nan 8.230 nan 0.000 0.439 194 L N 0.606 121.787 121.223 -0.070 0.000 1.963 194 L HA -0.269 4.071 4.340 -0.000 0.000 0.220 194 L C 2.826 179.712 176.870 0.027 0.000 1.076 194 L CA 1.914 56.740 54.840 -0.023 0.000 0.772 194 L CB -0.650 41.398 42.059 -0.018 0.000 0.892 194 L HN 0.126 nan 8.230 nan 0.000 0.435 195 R N -0.604 119.889 120.500 -0.011 0.000 2.112 195 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 195 R C 2.172 178.458 176.300 -0.022 0.000 1.137 195 R CA 2.066 58.152 56.100 -0.023 0.000 0.944 195 R CB -0.967 29.281 30.300 -0.086 0.000 0.857 195 R HN 0.558 nan 8.270 nan 0.000 0.435 196 A N 0.134 122.912 122.820 -0.070 0.000 1.873 196 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 196 A C 2.272 179.830 177.584 -0.043 0.000 1.193 196 A CA 1.983 53.947 52.037 -0.122 0.000 0.629 196 A CB -1.175 17.694 19.000 -0.219 0.000 0.826 196 A HN 0.668 nan 8.150 nan 0.000 0.447 197 H N 0.244 119.347 119.070 0.054 0.000 2.267 197 H HA -0.129 4.426 4.556 -0.000 0.000 0.297 197 H C 1.914 177.358 175.328 0.193 0.000 1.080 197 H CA 2.091 58.318 56.048 0.297 0.000 1.278 197 H CB -0.386 29.550 29.762 0.290 0.000 1.365 197 H HN 0.651 nan 8.280 nan 0.000 0.489 198 E N 0.321 120.721 120.200 0.332 0.000 2.187 198 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 198 E C 2.419 179.100 176.600 0.134 0.000 1.004 198 E CA 1.007 57.549 56.400 0.237 0.000 0.813 198 E CB -0.190 29.606 29.700 0.161 0.000 0.736 198 E HN 0.286 nan 8.360 nan 0.000 0.468 199 L N 0.401 121.665 121.223 0.069 0.000 1.989 199 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 199 L C 1.973 178.933 176.870 0.149 0.000 1.071 199 L CA 1.707 56.578 54.840 0.051 0.000 0.749 199 L CB -0.481 41.554 42.059 -0.039 0.000 0.890 199 L HN 0.217 nan 8.230 nan 0.000 0.431 200 W N -0.272 121.083 121.300 0.091 0.000 2.374 200 W HA -0.100 4.560 4.660 -0.000 0.000 0.288 200 W C 2.443 178.958 176.519 -0.006 0.000 1.218 200 W CA 0.894 58.263 57.345 0.041 0.000 1.245 200 W CB -0.881 28.577 29.460 -0.005 0.000 1.126 200 W HN 0.239 nan 8.180 nan 0.000 0.545 201 L N 0.287 121.626 121.223 0.194 0.000 2.017 201 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 201 L C 2.164 179.112 176.870 0.129 0.000 1.073 201 L CA 1.349 56.267 54.840 0.131 0.000 0.745 201 L CB -0.943 41.202 42.059 0.143 0.000 0.894 201 L HN -0.058 nan 8.230 nan 0.000 0.432 202 N N -0.239 118.540 118.700 0.132 0.000 2.251 202 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 202 N C 0.454 176.021 175.510 0.094 0.000 1.019 202 N CA 0.955 54.069 53.050 0.106 0.000 0.862 202 N CB 0.116 38.661 38.487 0.096 0.000 0.992 202 N HN 0.166 nan 8.380 nan 0.000 0.429 203 K N 1.240 121.711 120.400 0.119 0.000 2.457 203 K HA 0.304 4.624 4.320 -0.000 0.000 0.226 203 K C -1.978 174.692 176.600 0.117 0.000 1.114 203 K CA -1.725 54.620 56.287 0.096 0.000 1.089 203 K CB 1.373 33.919 32.500 0.076 0.000 1.739 203 K HN -0.030 nan 8.250 nan 0.000 0.473 204 P HA -0.223 nan 4.420 nan 0.000 0.220 204 P C 1.511 178.826 177.300 0.024 0.000 1.144 204 P CA 1.689 64.820 63.100 0.051 0.000 0.800 204 P CB 0.126 31.841 31.700 0.025 0.000 0.772 205 H N 0.212 119.291 119.070 0.015 0.000 2.352 205 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 205 H C 1.833 177.146 175.328 -0.024 0.000 1.097 205 H CA 1.936 57.975 56.048 -0.015 0.000 1.311 205 H CB -1.560 28.184 29.762 -0.030 0.000 1.377 205 H HN 0.263 nan 8.280 nan 0.000 0.504 206 I N -1.566 119.007 120.570 0.003 0.000 2.585 206 I HA 0.043 4.212 4.170 -0.000 0.000 0.254 206 I C 2.527 178.725 176.117 0.136 0.000 1.129 206 I CA 1.084 62.382 61.300 -0.003 0.000 1.455 206 I CB -0.461 37.506 38.000 -0.056 0.000 1.111 206 I HN 0.365 nan 8.210 nan 0.000 0.433 207 L N 1.611 122.934 121.223 0.167 0.000 1.989 207 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 207 L C 2.604 179.324 176.870 -0.251 0.000 1.071 207 L CA 2.036 56.733 54.840 -0.238 0.000 0.749 207 L CB -1.317 40.590 42.059 -0.255 0.000 0.890 207 L HN 0.288 nan 8.230 nan 0.000 0.431 208 Q N -0.839 118.874 119.800 -0.144 0.000 2.135 208 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 208 Q C 2.308 178.213 176.000 -0.158 0.000 0.981 208 Q CA 1.906 57.621 55.803 -0.147 0.000 0.856 208 Q CB -0.580 28.099 28.738 -0.098 0.000 0.902 208 Q HN 0.794 nan 8.270 nan 0.000 0.425 209 H N -0.583 118.351 119.070 -0.228 0.000 2.290 209 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 209 H C 1.466 176.581 175.328 -0.354 0.000 1.087 209 H CA 1.955 57.820 56.048 -0.306 0.000 1.291 209 H CB -0.191 29.330 29.762 -0.401 0.000 1.369 209 H HN 0.238 nan 8.280 nan 0.000 0.492 210 Y N 1.007 121.264 120.300 -0.073 0.000 2.200 210 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 210 Y C 3.121 178.835 175.900 -0.310 0.000 1.137 210 Y CA 1.350 59.349 58.100 -0.170 0.000 1.163 210 Y CB -0.613 37.926 38.460 0.132 0.000 0.988 210 Y HN 0.160 nan 8.280 nan 0.000 0.518 211 R N 0.797 121.188 120.500 -0.183 0.000 2.249 211 R HA -0.208 4.131 4.340 -0.000 0.000 0.230 211 R C 1.826 178.009 176.300 -0.196 0.000 1.121 211 R CA 1.635 57.613 56.100 -0.204 0.000 0.997 211 R CB -0.164 29.992 30.300 -0.239 0.000 0.867 211 R HN 0.466 nan 8.270 nan 0.000 0.465 212 E N -0.446 119.593 120.200 -0.268 0.000 2.447 212 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 212 E C 1.772 178.172 176.600 -0.334 0.000 1.028 212 E CA -0.011 56.226 56.400 -0.272 0.000 0.876 212 E CB 0.298 29.823 29.700 -0.291 0.000 0.885 212 E HN 0.240 nan 8.360 nan 0.000 0.500 213 R N -0.598 119.629 120.500 -0.455 0.000 2.164 213 R HA 0.093 4.432 4.340 -0.000 0.000 0.198 213 R C -0.144 175.829 176.300 -0.545 0.000 1.028 213 R CA 0.137 55.880 56.100 -0.594 0.000 1.083 213 R CB 0.306 30.046 30.300 -0.934 0.000 1.026 213 R HN -0.029 nan 8.270 nan 0.000 0.514 214 F N 2.490 122.362 119.950 -0.130 0.000 2.467 214 F HA 0.210 4.737 4.527 -0.000 0.000 0.349 214 F C 1.358 177.098 175.800 -0.099 0.000 1.182 214 F CA -0.387 57.542 58.000 -0.119 0.000 1.279 214 F CB 0.932 39.845 39.000 -0.145 0.000 1.626 214 F HN 0.069 nan 8.300 nan 0.000 0.596 215 T N -1.888 112.698 114.554 0.053 0.000 2.668 215 T HA -0.106 4.244 4.350 -0.000 0.000 0.262 215 T C 0.704 175.434 174.700 0.049 0.000 1.045 215 T CA 0.568 62.681 62.100 0.021 0.000 1.152 215 T CB -0.424 68.443 68.868 -0.002 0.000 0.864 215 T HN 0.453 nan 8.240 nan 0.000 0.419 216 N N 1.545 120.286 118.700 0.068 0.000 2.425 216 N HA 0.497 5.237 4.740 -0.000 0.000 0.268 216 N C -1.119 174.420 175.510 0.049 0.000 0.991 216 N CA -0.593 52.491 53.050 0.056 0.000 0.931 216 N CB 1.651 40.172 38.487 0.057 0.000 1.130 216 N HN 0.370 nan 8.380 nan 0.000 0.493 217 I N 1.584 122.164 120.570 0.016 0.000 2.603 217 I HA 0.389 4.559 4.170 -0.000 0.000 0.300 217 I C -0.835 175.252 176.117 -0.050 0.000 1.017 217 I CA -1.119 60.169 61.300 -0.021 0.000 1.098 217 I CB 1.798 39.783 38.000 -0.026 0.000 1.279 217 I HN 0.321 nan 8.210 nan 0.000 0.437 218 L N 6.042 127.227 121.223 -0.064 0.000 2.386 218 L HA 0.646 4.986 4.340 -0.000 0.000 0.271 218 L C -0.785 176.026 176.870 -0.100 0.000 0.993 218 L CA -0.626 54.162 54.840 -0.086 0.000 0.819 218 L CB 1.989 44.009 42.059 -0.065 0.000 1.294 218 L HN 0.186 nan 8.230 nan 0.000 0.414 219 V N 1.294 121.143 119.914 -0.108 0.000 2.524 219 V HA 0.407 4.527 4.120 -0.000 0.000 0.297 219 V C -0.711 175.368 176.094 -0.025 0.000 1.035 219 V CA -0.665 61.598 62.300 -0.062 0.000 0.867 219 V CB 1.770 33.668 31.823 0.125 0.000 1.004 219 V HN 0.680 nan 8.190 nan 0.000 0.426 220 D N 2.886 123.247 120.400 -0.064 0.000 2.348 220 D HA 0.215 4.855 4.640 -0.000 0.000 0.249 220 D C 0.647 177.056 176.300 0.181 0.000 1.110 220 D CA -0.042 53.968 54.000 0.016 0.000 0.967 220 D CB 1.033 41.817 40.800 -0.027 0.000 1.139 220 D HN 0.653 nan 8.370 nan 0.000 0.466 221 E N 1.292 121.628 120.200 0.227 0.000 2.216 221 E HA -0.290 4.060 4.350 -0.000 0.000 0.219 221 E C 0.923 177.821 176.600 0.498 0.000 1.317 221 E CA 0.163 56.762 56.400 0.333 0.000 0.716 221 E CB -1.840 28.095 29.700 0.391 0.000 1.135 221 E HN 0.484 nan 8.360 nan 0.000 0.359 222 F N 1.662 121.750 119.950 0.229 0.000 2.287 222 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 222 F C 2.583 178.523 175.800 0.232 0.000 1.069 222 F CA 2.092 60.235 58.000 0.239 0.000 1.372 222 F CB 0.180 39.212 39.000 0.052 0.000 1.056 222 F HN 0.194 nan 8.300 nan 0.000 0.523 223 Q N -0.676 119.285 119.800 0.269 0.000 2.500 223 Q HA -0.140 4.200 4.340 -0.000 0.000 0.213 223 Q C 0.342 176.363 176.000 0.036 0.000 0.974 223 Q CA 1.360 57.253 55.803 0.150 0.000 0.918 223 Q CB -0.570 28.242 28.738 0.123 0.000 0.980 223 Q HN 0.408 nan 8.270 nan 0.000 0.505 224 D N 1.706 122.091 120.400 -0.025 0.000 2.398 224 D HA 0.033 4.673 4.640 -0.000 0.000 0.210 224 D C 0.269 176.404 176.300 -0.275 0.000 1.094 224 D CA 0.467 54.317 54.000 -0.250 0.000 0.839 224 D CB 0.552 41.014 40.800 -0.564 0.000 0.963 224 D HN 0.397 nan 8.370 nan 0.000 0.506 225 T N 0.348 114.895 114.554 -0.010 0.000 2.898 225 T HA 0.260 4.610 4.350 -0.000 0.000 0.301 225 T C 0.393 175.035 174.700 -0.097 0.000 1.049 225 T CA -0.699 61.419 62.100 0.030 0.000 1.095 225 T CB 1.206 69.903 68.868 -0.284 0.000 0.976 225 T HN 0.011 nan 8.240 nan 0.000 0.539 226 N N 1.507 120.143 118.700 -0.107 0.000 2.563 226 N HA 0.319 5.059 4.740 -0.000 0.000 0.288 226 N C 0.941 176.415 175.510 -0.060 0.000 1.246 226 N CA -0.984 52.008 53.050 -0.097 0.000 0.946 226 N CB 0.293 38.712 38.487 -0.113 0.000 1.213 226 N HN 0.646 nan 8.380 nan 0.000 0.578 227 N N -0.668 118.001 118.700 -0.051 0.000 2.011 227 N HA -0.205 4.535 4.740 -0.000 0.000 0.199 227 N C 1.252 176.780 175.510 0.031 0.000 1.047 227 N CA 1.471 54.514 53.050 -0.011 0.000 0.863 227 N CB -0.302 38.155 38.487 -0.050 0.000 1.056 227 N HN 0.454 nan 8.380 nan 0.000 0.427 228 I N 2.028 122.559 120.570 -0.065 0.000 2.361 228 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 228 I C 2.228 178.329 176.117 -0.027 0.000 1.133 228 I CA 1.277 62.517 61.300 -0.101 0.000 1.413 228 I CB -0.191 37.694 38.000 -0.191 0.000 1.073 228 I HN 0.169 nan 8.210 nan 0.000 0.424 229 Q N -1.341 118.367 119.800 -0.154 0.000 2.119 229 Q HA -0.243 4.097 4.340 -0.000 0.000 0.201 229 Q C 2.114 178.076 176.000 -0.064 0.000 0.972 229 Q CA 1.906 57.483 55.803 -0.377 0.000 0.847 229 Q CB -0.366 27.948 28.738 -0.706 0.000 0.903 229 Q HN 0.633 nan 8.270 nan 0.000 0.433 230 Y N 1.103 121.368 120.300 -0.059 0.000 2.070 230 Y HA -0.277 4.273 4.550 -0.000 0.000 0.279 230 Y C 2.311 178.376 175.900 0.276 0.000 1.134 230 Y CA 1.640 59.813 58.100 0.122 0.000 1.113 230 Y CB -0.565 37.961 38.460 0.111 0.000 0.981 230 Y HN 0.075 nan 8.280 nan 0.000 0.487 231 A N 0.457 123.555 122.820 0.463 0.000 1.869 231 A HA -0.343 3.977 4.320 -0.000 0.000 0.218 231 A C 2.101 179.944 177.584 0.432 0.000 1.203 231 A CA 2.207 54.498 52.037 0.424 0.000 0.638 231 A CB -2.009 17.205 19.000 0.356 0.000 0.831 231 A HN 0.869 nan 8.150 nan 0.000 0.450 232 W N 0.636 122.156 121.300 0.366 0.000 2.290 232 W HA -0.302 4.358 4.660 -0.000 0.000 0.323 232 W C 1.986 178.700 176.519 0.325 0.000 1.260 232 W CA 2.589 60.196 57.345 0.437 0.000 1.266 232 W CB -0.563 29.061 29.460 0.274 0.000 1.149 232 W HN 0.379 nan 8.180 nan 0.000 0.482 233 I N -0.055 120.702 120.570 0.312 0.000 2.163 233 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 233 I C 2.548 178.687 176.117 0.038 0.000 1.085 233 I CA 1.981 63.356 61.300 0.125 0.000 1.347 233 I CB -0.844 37.340 38.000 0.307 0.000 1.044 233 I HN -0.019 nan 8.210 nan 0.000 0.408 234 R N 1.205 121.746 120.500 0.068 0.000 2.293 234 R HA -0.086 4.254 4.340 -0.000 0.000 0.219 234 R C 1.985 178.259 176.300 -0.044 0.000 1.091 234 R CA 0.910 57.035 56.100 0.043 0.000 1.004 234 R CB 0.008 30.286 30.300 -0.037 0.000 0.865 234 R HN 0.390 nan 8.270 nan 0.000 0.469 235 L N -0.454 120.726 121.223 -0.072 0.000 2.168 235 L HA -0.017 4.323 4.340 -0.000 0.000 0.203 235 L C 2.019 178.694 176.870 -0.325 0.000 1.078 235 L CA 0.242 54.987 54.840 -0.158 0.000 0.780 235 L CB -0.438 41.547 42.059 -0.124 0.000 0.939 235 L HN 0.243 nan 8.230 nan 0.000 0.451 236 L N 0.469 121.416 121.223 -0.459 0.000 2.353 236 L HA -0.056 4.284 4.340 -0.000 0.000 0.220 236 L C 2.295 179.005 176.870 -0.268 0.000 1.133 236 L CA 1.624 56.130 54.840 -0.556 0.000 0.798 236 L CB -0.502 41.184 42.059 -0.621 0.000 0.922 236 L HN 0.126 nan 8.230 nan 0.000 0.445 237 A N -1.081 121.652 122.820 -0.146 0.000 1.862 237 A HA 0.458 4.778 4.320 -0.000 0.000 0.211 237 A C 1.929 179.475 177.584 -0.063 0.000 1.220 237 A CA 1.056 53.077 52.037 -0.027 0.000 0.616 237 A CB -1.181 17.913 19.000 0.157 0.000 0.878 237 A HN 0.623 nan 8.150 nan 0.000 0.453 238 G N -0.328 108.411 108.800 -0.102 0.000 2.634 238 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.318 238 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.318 238 G C 0.447 175.288 174.900 -0.098 0.000 1.207 238 G CA 0.832 45.861 45.100 -0.117 0.000 0.987 238 G HN 0.450 nan 8.290 nan 0.000 0.547 239 D N -0.319 120.037 120.400 -0.073 0.000 2.479 239 D HA 0.129 4.769 4.640 -0.000 0.000 0.221 239 D C 2.253 178.537 176.300 -0.026 0.000 1.104 239 D CA 1.227 55.197 54.000 -0.050 0.000 0.849 239 D CB 0.110 40.878 40.800 -0.053 0.000 1.072 239 D HN 0.483 nan 8.370 nan 0.000 0.502 240 T N -0.297 114.235 114.554 -0.038 0.000 3.100 240 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 240 T C 1.282 175.976 174.700 -0.011 0.000 1.118 240 T CA -0.124 61.957 62.100 -0.031 0.000 1.058 240 T CB 0.413 69.247 68.868 -0.056 0.000 0.953 240 T HN 0.021 nan 8.240 nan 0.000 0.515 241 G N 1.561 110.365 108.800 0.007 0.000 2.338 241 G HA2 0.469 4.429 3.960 -0.000 0.000 0.295 241 G HA3 0.469 4.429 3.960 -0.000 0.000 0.295 241 G C -0.564 174.388 174.900 0.086 0.000 1.132 241 G CA -0.616 44.508 45.100 0.040 0.000 0.922 241 G HN 0.016 nan 8.290 nan 0.000 0.427 242 K N 2.008 122.445 120.400 0.063 0.000 2.296 242 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 242 K C 0.158 176.787 176.600 0.049 0.000 1.088 242 K CA -0.427 55.900 56.287 0.067 0.000 0.980 242 K CB 1.093 33.624 32.500 0.051 0.000 1.430 242 K HN 0.432 nan 8.250 nan 0.000 0.441 243 V N 0.220 120.164 119.914 0.049 0.000 2.472 243 V HA 0.557 4.677 4.120 -0.000 0.000 0.290 243 V C -0.089 175.948 176.094 -0.096 0.000 1.037 243 V CA -0.877 61.403 62.300 -0.035 0.000 0.908 243 V CB 1.613 33.389 31.823 -0.078 0.000 0.985 243 V HN 0.704 nan 8.190 nan 0.000 0.454 244 M N 7.536 127.051 119.600 -0.142 0.000 2.036 244 M HA 0.563 5.043 4.480 -0.000 0.000 0.337 244 M C -0.818 175.306 176.300 -0.293 0.000 1.012 244 M CA -0.782 54.414 55.300 -0.173 0.000 0.962 244 M CB 0.891 33.435 32.600 -0.094 0.000 1.423 244 M HN 0.924 nan 8.290 nan 0.000 0.405 245 I N 3.764 124.011 120.570 -0.538 0.000 2.315 245 I HA 0.564 4.734 4.170 -0.000 0.000 0.291 245 I C -1.007 174.904 176.117 -0.343 0.000 1.006 245 I CA -0.760 60.190 61.300 -0.583 0.000 1.265 245 I CB 1.166 38.390 38.000 -1.293 0.000 1.387 245 I HN 0.304 nan 8.210 nan 0.000 0.475 246 V N 5.990 125.809 119.914 -0.158 0.000 2.743 246 V HA 0.962 5.082 4.120 -0.000 0.000 0.301 246 V C 0.766 176.863 176.094 0.005 0.000 1.057 246 V CA 0.165 62.421 62.300 -0.073 0.000 1.006 246 V CB 1.074 32.869 31.823 -0.047 0.000 1.024 246 V HN 1.148 nan 8.190 nan 0.000 0.473 247 G N 1.856 110.670 108.800 0.024 0.000 2.316 247 G HA2 0.437 4.397 3.960 -0.000 0.000 0.296 247 G HA3 0.437 4.397 3.960 -0.000 0.000 0.296 247 G C -2.256 172.685 174.900 0.069 0.000 1.399 247 G CA -0.485 44.664 45.100 0.081 0.000 0.833 247 G HN 0.606 nan 8.290 nan 0.000 0.565 248 D N -0.130 120.320 120.400 0.084 0.000 2.575 248 D HA 0.360 5.000 4.640 -0.000 0.000 0.250 248 D C 0.891 177.248 176.300 0.095 0.000 1.279 248 D CA -0.241 53.808 54.000 0.082 0.000 0.925 248 D CB 1.729 42.568 40.800 0.065 0.000 1.261 248 D HN 0.401 nan 8.370 nan 0.000 0.567 249 D N 1.799 122.258 120.400 0.098 0.000 2.309 249 D HA -0.170 4.469 4.640 -0.000 0.000 0.212 249 D C 0.708 177.055 176.300 0.078 0.000 0.968 249 D CA 0.890 54.946 54.000 0.093 0.000 0.882 249 D CB 0.291 41.144 40.800 0.088 0.000 0.918 249 D HN 0.246 nan 8.370 nan 0.000 0.503 250 D N -0.032 120.429 120.400 0.101 0.000 2.347 250 D HA -0.036 4.604 4.640 -0.000 0.000 0.213 250 D C 1.067 177.460 176.300 0.153 0.000 0.985 250 D CA 0.443 54.519 54.000 0.126 0.000 0.879 250 D CB 0.090 40.997 40.800 0.178 0.000 0.919 250 D HN 0.444 nan 8.370 nan 0.000 0.526 251 Q N 0.120 119.974 119.800 0.090 0.000 2.201 251 Q HA 0.130 4.470 4.340 -0.000 0.000 0.217 251 Q C 0.011 175.993 176.000 -0.030 0.000 0.860 251 Q CA -0.136 55.671 55.803 0.007 0.000 0.984 251 Q CB 0.799 29.510 28.738 -0.045 0.000 1.095 251 Q HN -0.146 nan 8.270 nan 0.000 0.477 252 S N 1.758 117.454 115.700 -0.007 0.000 2.498 252 S HA 0.170 4.640 4.470 -0.000 0.000 0.314 252 S C 0.715 175.266 174.600 -0.082 0.000 1.141 252 S CA -0.275 57.911 58.200 -0.024 0.000 1.087 252 S CB -0.265 62.942 63.200 0.013 0.000 1.178 252 S HN 0.486 nan 8.310 nan 0.000 0.533 253 I N 1.570 122.016 120.570 -0.207 0.000 3.877 253 I HA 0.397 4.567 4.170 -0.000 0.000 0.332 253 I C -0.974 174.875 176.117 -0.447 0.000 1.525 253 I CA -0.435 60.667 61.300 -0.330 0.000 1.146 253 I CB 0.051 37.744 38.000 -0.512 0.000 1.137 253 I HN 0.397 nan 8.210 nan 0.000 0.424 254 Y N 1.424 121.682 120.300 -0.071 0.000 2.578 254 Y HA 0.524 5.074 4.550 -0.000 0.000 0.317 254 Y C 1.787 177.457 175.900 -0.383 0.000 0.940 254 Y CA -0.749 57.141 58.100 -0.350 0.000 1.174 254 Y CB 0.812 38.997 38.460 -0.457 0.000 1.198 254 Y HN 0.157 nan 8.280 nan 0.000 0.597 255 G N 1.147 109.941 108.800 -0.010 0.000 2.480 255 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.216 255 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.216 255 G C 1.551 176.483 174.900 0.053 0.000 1.200 255 G CA 1.233 46.369 45.100 0.059 0.000 0.782 255 G HN 0.631 nan 8.290 nan 0.000 0.554 256 W N 1.734 123.077 121.300 0.072 0.000 2.285 256 W HA -0.242 4.418 4.660 -0.000 0.000 0.333 256 W C 2.187 178.762 176.519 0.094 0.000 1.290 256 W CA 1.211 58.596 57.345 0.067 0.000 1.234 256 W CB -1.645 27.828 29.460 0.022 0.000 1.154 256 W HN 0.314 nan 8.180 nan 0.000 0.463 257 R N 1.637 121.841 120.500 -0.493 0.000 2.249 257 R HA -0.193 4.147 4.340 -0.000 0.000 0.229 257 R C 2.062 178.280 176.300 -0.137 0.000 1.104 257 R CA 3.630 59.485 56.100 -0.408 0.000 0.876 257 R CB -1.212 28.637 30.300 -0.752 0.000 0.871 257 R HN 0.466 nan 8.270 nan 0.000 0.426 258 G N -2.065 106.626 108.800 -0.182 0.000 4.449 258 G HA2 0.218 4.177 3.960 -0.000 0.000 0.195 258 G HA3 0.218 4.177 3.960 -0.000 0.000 0.195 258 G C -0.606 174.226 174.900 -0.112 0.000 0.806 258 G CA 0.057 45.097 45.100 -0.101 0.000 0.774 258 G HN 0.611 nan 8.290 nan 0.000 0.508 259 A N 0.846 123.578 122.820 -0.147 0.000 2.500 259 A HA 0.519 4.839 4.320 -0.000 0.000 0.285 259 A C 0.433 177.981 177.584 -0.060 0.000 1.183 259 A CA 0.326 52.291 52.037 -0.120 0.000 0.851 259 A CB 0.141 19.074 19.000 -0.111 0.000 1.091 259 A HN 0.195 nan 8.150 nan 0.000 0.521 260 Q N 2.716 122.485 119.800 -0.051 0.000 2.553 260 Q HA 0.307 4.647 4.340 -0.000 0.000 0.221 260 Q C 1.018 177.020 176.000 0.004 0.000 1.219 260 Q CA 0.075 55.863 55.803 -0.024 0.000 0.955 260 Q CB 0.213 28.926 28.738 -0.041 0.000 1.399 260 Q HN 0.583 nan 8.270 nan 0.000 0.551 261 V N 1.958 121.884 119.914 0.019 0.000 2.613 261 V HA -0.325 3.795 4.120 -0.000 0.000 0.259 261 V C 1.951 178.091 176.094 0.077 0.000 1.099 261 V CA 1.953 64.282 62.300 0.049 0.000 1.115 261 V CB -0.435 31.413 31.823 0.043 0.000 0.686 261 V HN 0.732 nan 8.190 nan 0.000 0.481 262 E N 0.505 120.738 120.200 0.056 0.000 2.031 262 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 262 E C 2.121 178.791 176.600 0.117 0.000 0.994 262 E CA 1.469 57.908 56.400 0.064 0.000 0.800 262 E CB -0.307 29.405 29.700 0.020 0.000 0.752 262 E HN 0.770 nan 8.360 nan 0.000 0.447 263 N N 0.915 119.677 118.700 0.103 0.000 2.182 263 N HA -0.268 4.472 4.740 -0.000 0.000 0.200 263 N C 2.104 177.954 175.510 0.565 0.000 0.989 263 N CA 1.396 54.595 53.050 0.248 0.000 0.907 263 N CB -0.446 38.177 38.487 0.227 0.000 1.048 263 N HN 0.241 nan 8.380 nan 0.000 0.494 264 I N 1.443 122.302 120.570 0.481 0.000 2.194 264 I HA -0.372 3.798 4.170 -0.000 0.000 0.246 264 I C 2.736 179.073 176.117 0.367 0.000 1.093 264 I CA 1.738 63.321 61.300 0.472 0.000 1.355 264 I CB -0.142 38.046 38.000 0.313 0.000 1.046 264 I HN 0.275 nan 8.210 nan 0.000 0.413 265 Q N -0.309 119.655 119.800 0.273 0.000 2.163 265 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 265 Q C 2.387 178.530 176.000 0.238 0.000 0.954 265 Q CA 1.091 57.019 55.803 0.209 0.000 0.851 265 Q CB -1.560 27.258 28.738 0.134 0.000 0.928 265 Q HN 0.645 nan 8.270 nan 0.000 0.459 266 R N -0.276 120.383 120.500 0.266 0.000 2.159 266 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 266 R C 1.951 178.567 176.300 0.527 0.000 1.131 266 R CA 1.533 57.790 56.100 0.261 0.000 0.982 266 R CB -1.674 28.646 30.300 0.032 0.000 0.868 266 R HN 0.770 nan 8.270 nan 0.000 0.453 267 F N 0.943 121.170 119.950 0.461 0.000 2.051 267 F HA 0.043 4.570 4.527 -0.000 0.000 0.296 267 F C 2.043 178.028 175.800 0.308 0.000 1.122 267 F CA 1.912 60.126 58.000 0.357 0.000 1.201 267 F CB -0.734 38.190 39.000 -0.127 0.000 0.978 267 F HN 0.135 nan 8.300 nan 0.000 0.472 268 L N 0.669 121.859 121.223 -0.055 0.000 2.042 268 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 268 L C 2.443 179.288 176.870 -0.042 0.000 1.076 268 L CA 1.714 56.443 54.840 -0.184 0.000 0.749 268 L CB -1.746 40.303 42.059 -0.017 0.000 0.893 268 L HN 0.446 nan 8.230 nan 0.000 0.432 269 N N -1.303 117.438 118.700 0.068 0.000 2.575 269 N HA -0.129 4.611 4.740 -0.000 0.000 0.192 269 N C 1.304 176.861 175.510 0.079 0.000 1.200 269 N CA 1.271 54.360 53.050 0.066 0.000 0.897 269 N CB -0.211 38.321 38.487 0.076 0.000 0.990 269 N HN 0.364 nan 8.380 nan 0.000 0.449 270 D N -2.110 118.369 120.400 0.132 0.000 2.399 270 D HA 0.232 4.871 4.640 -0.000 0.000 0.269 270 D C -0.930 175.305 176.300 -0.109 0.000 1.105 270 D CA -0.022 54.017 54.000 0.065 0.000 0.844 270 D CB 0.407 41.309 40.800 0.171 0.000 1.372 270 D HN 0.382 nan 8.370 nan 0.000 0.517 271 F N 1.440 121.270 119.950 -0.199 0.000 2.425 271 F HA 0.425 4.952 4.527 -0.000 0.000 0.331 271 F C -1.948 173.736 175.800 -0.192 0.000 1.085 271 F CA -2.499 55.364 58.000 -0.228 0.000 1.028 271 F CB 0.737 39.482 39.000 -0.425 0.000 1.177 271 F HN -0.353 nan 8.300 nan 0.000 0.487 272 P HA 0.218 nan 4.420 nan 0.000 0.271 272 P C 0.195 177.498 177.300 0.006 0.000 1.220 272 P CA 0.146 63.249 63.100 0.004 0.000 0.768 272 P CB 0.582 32.282 31.700 0.000 0.000 0.848 273 G N 2.984 111.777 108.800 -0.012 0.000 2.338 273 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.296 273 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.296 273 G C 0.361 175.241 174.900 -0.033 0.000 1.040 273 G CA -0.025 45.068 45.100 -0.013 0.000 1.004 273 G HN 0.795 nan 8.290 nan 0.000 0.509 274 A N -0.584 122.190 122.820 -0.077 0.000 2.666 274 A HA 0.758 5.078 4.320 -0.000 0.000 0.312 274 A C 0.803 178.341 177.584 -0.076 0.000 1.471 274 A CA 1.276 53.221 52.037 -0.154 0.000 1.134 274 A CB -0.200 18.598 19.000 -0.336 0.000 1.129 274 A HN 1.669 nan 8.150 nan 0.000 0.539 275 E N 0.663 120.847 120.200 -0.027 0.000 4.126 275 E HA 0.701 5.051 4.350 -0.000 0.000 0.314 275 E C 0.024 176.635 176.600 0.019 0.000 1.438 275 E CA 0.240 56.638 56.400 -0.003 0.000 1.682 275 E CB 0.196 29.898 29.700 0.004 0.000 1.454 275 E HN 0.641 nan 8.360 nan 0.000 0.810 276 T N 0.209 114.777 114.554 0.023 0.000 4.096 276 T HA 0.325 4.675 4.350 -0.000 0.000 0.336 276 T C -0.861 173.852 174.700 0.022 0.000 0.820 276 T CA -0.359 61.762 62.100 0.034 0.000 0.986 276 T CB -0.405 68.487 68.868 0.041 0.000 1.077 276 T HN 0.492 nan 8.240 nan 0.000 0.466 277 I N 4.105 124.683 120.570 0.014 0.000 2.342 277 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 277 I C 0.667 176.790 176.117 0.010 0.000 1.010 277 I CA -0.672 60.630 61.300 0.004 0.000 1.308 277 I CB 0.875 38.865 38.000 -0.016 0.000 1.400 277 I HN 0.452 nan 8.210 nan 0.000 0.488 278 R N 6.792 127.305 120.500 0.021 0.000 2.480 278 R HA 0.679 5.019 4.340 -0.000 0.000 0.306 278 R C -1.623 174.701 176.300 0.040 0.000 0.958 278 R CA -0.813 55.306 56.100 0.031 0.000 0.861 278 R CB 1.239 31.565 30.300 0.042 0.000 1.171 278 R HN 0.524 nan 8.270 nan 0.000 0.445 279 L N 3.056 124.295 121.223 0.027 0.000 2.276 279 L HA 0.337 4.677 4.340 -0.000 0.000 0.286 279 L C 0.412 177.300 176.870 0.031 0.000 1.061 279 L CA -0.172 54.683 54.840 0.025 0.000 0.807 279 L CB 1.340 43.394 42.059 -0.008 0.000 1.177 279 L HN 0.870 nan 8.230 nan 0.000 0.429 280 E N 1.286 121.510 120.200 0.041 0.000 2.702 280 E HA 0.052 4.402 4.350 -0.000 0.000 0.225 280 E C -0.106 176.353 176.600 -0.236 0.000 0.942 280 E CA -0.169 56.239 56.400 0.013 0.000 1.210 280 E CB 1.072 30.866 29.700 0.156 0.000 1.143 280 E HN 0.571 nan 8.360 nan 0.000 0.544 281 Q N 2.035 121.629 119.800 -0.344 0.000 2.295 281 Q HA 0.158 4.498 4.340 -0.000 0.000 0.259 281 Q C -0.684 175.038 176.000 -0.462 0.000 0.976 281 Q CA -0.104 55.181 55.803 -0.864 0.000 0.923 281 Q CB 0.462 28.777 28.738 -0.706 0.000 1.185 281 Q HN -0.010 nan 8.270 nan 0.000 0.410 282 N N 3.329 121.708 118.700 -0.534 0.000 2.527 282 N HA 0.110 4.850 4.740 -0.000 0.000 0.236 282 N C -0.990 174.367 175.510 -0.254 0.000 0.999 282 N CA -0.206 52.695 53.050 -0.249 0.000 0.935 282 N CB 0.453 38.828 38.487 -0.187 0.000 1.132 282 N HN 0.523 nan 8.380 nan 0.000 0.511 283 Y N 1.850 122.018 120.300 -0.221 0.000 2.488 283 Y HA 0.155 4.705 4.550 -0.000 0.000 0.319 283 Y C 1.958 177.780 175.900 -0.129 0.000 1.212 283 Y CA -0.008 57.990 58.100 -0.170 0.000 1.273 283 Y CB -0.199 38.172 38.460 -0.150 0.000 1.074 283 Y HN 0.559 nan 8.280 nan 0.000 0.503 284 R N -0.670 119.820 120.500 -0.016 0.000 2.015 284 R HA 0.095 4.435 4.340 -0.000 0.000 0.212 284 R C 1.212 177.480 176.300 -0.053 0.000 1.304 284 R CA 0.749 56.825 56.100 -0.041 0.000 1.040 284 R CB -0.093 30.165 30.300 -0.070 0.000 0.915 284 R HN 0.184 nan 8.270 nan 0.000 0.465 285 S N 0.158 115.820 115.700 -0.065 0.000 2.502 285 S HA 0.074 4.544 4.470 -0.000 0.000 0.251 285 S C 0.463 175.035 174.600 -0.046 0.000 1.254 285 S CA 0.157 58.325 58.200 -0.054 0.000 0.989 285 S CB 0.442 63.612 63.200 -0.050 0.000 1.015 285 S HN 0.603 nan 8.310 nan 0.000 0.529 286 T N -2.320 112.215 114.554 -0.032 0.000 2.916 286 T HA 0.473 4.823 4.350 -0.000 0.000 0.292 286 T C 0.948 175.643 174.700 -0.008 0.000 1.064 286 T CA -0.630 61.459 62.100 -0.019 0.000 1.011 286 T CB 1.395 70.258 68.868 -0.009 0.000 1.152 286 T HN 0.208 nan 8.240 nan 0.000 0.510 287 S N 1.648 117.350 115.700 0.003 0.000 2.378 287 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 287 S C 2.046 176.658 174.600 0.020 0.000 1.052 287 S CA 1.710 59.921 58.200 0.019 0.000 1.084 287 S CB -0.758 62.457 63.200 0.026 0.000 0.950 287 S HN 0.777 nan 8.310 nan 0.000 0.440 288 N N 1.499 120.209 118.700 0.016 0.000 2.043 288 N HA -0.042 4.698 4.740 -0.000 0.000 0.193 288 N C 1.790 177.310 175.510 0.017 0.000 1.037 288 N CA 1.386 54.446 53.050 0.018 0.000 0.851 288 N CB -0.551 37.946 38.487 0.017 0.000 1.027 288 N HN 0.427 nan 8.380 nan 0.000 0.422 289 I N 1.176 121.751 120.570 0.009 0.000 2.226 289 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 289 I C 2.844 178.975 176.117 0.023 0.000 1.100 289 I CA 0.985 62.290 61.300 0.008 0.000 1.374 289 I CB -0.823 37.171 38.000 -0.010 0.000 1.057 289 I HN 0.071 nan 8.210 nan 0.000 0.413 290 L N 0.319 121.555 121.223 0.022 0.000 2.156 290 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 290 L C 2.806 179.705 176.870 0.048 0.000 1.095 290 L CA 2.275 57.140 54.840 0.041 0.000 0.770 290 L CB -1.691 40.382 42.059 0.024 0.000 0.914 290 L HN 0.504 nan 8.230 nan 0.000 0.439 291 S N -0.531 115.190 115.700 0.036 0.000 2.345 291 S HA -0.037 4.433 4.470 -0.000 0.000 0.219 291 S C 2.428 177.040 174.600 0.020 0.000 1.031 291 S CA 1.778 59.996 58.200 0.029 0.000 0.984 291 S CB -0.957 62.259 63.200 0.027 0.000 0.874 291 S HN 1.313 nan 8.310 nan 0.000 0.451 292 A N 2.449 125.282 122.820 0.022 0.000 1.948 292 A HA 0.113 4.433 4.320 -0.000 0.000 0.220 292 A C 2.525 180.118 177.584 0.016 0.000 1.177 292 A CA 2.237 54.286 52.037 0.020 0.000 0.636 292 A CB -1.618 17.398 19.000 0.026 0.000 0.815 292 A HN 0.948 nan 8.150 nan 0.000 0.449 293 A N 0.096 122.938 122.820 0.037 0.000 1.835 293 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 293 A C 2.025 179.584 177.584 -0.042 0.000 1.199 293 A CA 1.683 53.759 52.037 0.065 0.000 0.615 293 A CB -0.796 18.309 19.000 0.174 0.000 0.838 293 A HN 0.554 nan 8.150 nan 0.000 0.444 294 N N 0.278 118.959 118.700 -0.031 0.000 2.091 294 N HA -0.218 4.522 4.740 -0.000 0.000 0.193 294 N C 1.953 177.400 175.510 -0.104 0.000 1.021 294 N CA 1.683 54.679 53.050 -0.091 0.000 0.862 294 N CB -0.483 37.991 38.487 -0.023 0.000 1.018 294 N HN 0.495 nan 8.380 nan 0.000 0.429 295 A N 1.523 124.309 122.820 -0.058 0.000 1.851 295 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 295 A C 2.263 179.802 177.584 -0.075 0.000 1.195 295 A CA 1.284 53.292 52.037 -0.049 0.000 0.622 295 A CB -1.044 17.944 19.000 -0.020 0.000 0.831 295 A HN 0.268 nan 8.150 nan 0.000 0.444 296 L N -0.328 120.848 121.223 -0.078 0.000 1.978 296 L HA -0.210 4.130 4.340 -0.000 0.000 0.218 296 L C 2.233 178.992 176.870 -0.185 0.000 1.075 296 L CA 2.584 57.360 54.840 -0.108 0.000 0.767 296 L CB -0.755 41.243 42.059 -0.101 0.000 0.890 296 L HN 0.413 nan 8.230 nan 0.000 0.434 297 I N 0.269 120.669 120.570 -0.283 0.000 2.454 297 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 297 I C 2.544 178.520 176.117 -0.235 0.000 1.156 297 I CA 1.891 62.967 61.300 -0.374 0.000 1.433 297 I CB -0.949 36.611 38.000 -0.733 0.000 1.082 297 I HN 0.493 nan 8.210 nan 0.000 0.432 298 E N 0.191 120.287 120.200 -0.173 0.000 2.118 298 E HA -0.317 4.033 4.350 -0.000 0.000 0.195 298 E C 1.895 178.449 176.600 -0.077 0.000 0.992 298 E CA 1.679 58.014 56.400 -0.107 0.000 0.804 298 E CB -1.498 28.157 29.700 -0.076 0.000 0.741 298 E HN 0.675 nan 8.360 nan 0.000 0.458 299 N N 0.735 119.393 118.700 -0.071 0.000 2.247 299 N HA -0.108 4.632 4.740 -0.000 0.000 0.189 299 N C 0.518 176.010 175.510 -0.031 0.000 1.009 299 N CA 1.132 54.161 53.050 -0.035 0.000 0.872 299 N CB -0.253 38.227 38.487 -0.012 0.000 0.980 299 N HN 0.665 nan 8.380 nan 0.000 0.436 300 N N -0.682 117.984 118.700 -0.057 0.000 2.458 300 N HA 0.197 4.937 4.740 -0.000 0.000 0.271 300 N C -0.163 175.327 175.510 -0.034 0.000 1.210 300 N CA -0.251 52.775 53.050 -0.041 0.000 0.978 300 N CB 0.701 39.153 38.487 -0.058 0.000 1.206 300 N HN 0.289 nan 8.380 nan 0.000 0.536 301 N N -2.167 116.521 118.700 -0.019 0.000 2.193 301 N HA 0.148 4.888 4.740 -0.000 0.000 0.236 301 N C 0.378 175.885 175.510 -0.004 0.000 1.347 301 N CA -0.543 52.499 53.050 -0.013 0.000 0.812 301 N CB 0.560 39.042 38.487 -0.007 0.000 1.297 301 N HN 0.507 nan 8.380 nan 0.000 0.499 302 G N 0.439 109.238 108.800 -0.001 0.000 2.833 302 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.210 302 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.210 302 G C 0.781 175.689 174.900 0.013 0.000 1.139 302 G CA -0.392 44.714 45.100 0.009 0.000 0.771 302 G HN 0.336 nan 8.290 nan 0.000 0.535 303 R N -0.169 120.333 120.500 0.004 0.000 3.157 303 R HA 0.121 4.461 4.340 -0.000 0.000 0.290 303 R C 0.139 176.450 176.300 0.017 0.000 1.050 303 R CA 0.040 56.145 56.100 0.008 0.000 1.189 303 R CB -0.031 30.260 30.300 -0.016 0.000 1.179 303 R HN 0.102 nan 8.270 nan 0.000 0.536 304 L N -0.042 121.196 121.223 0.024 0.000 3.066 304 L HA 0.247 4.587 4.340 -0.000 0.000 0.265 304 L C 0.420 177.303 176.870 0.022 0.000 1.232 304 L CA 0.139 54.997 54.840 0.030 0.000 1.031 304 L CB 0.198 42.285 42.059 0.047 0.000 1.379 304 L HN 1.097 nan 8.230 nan 0.000 0.563 305 G N 1.416 110.220 108.800 0.007 0.000 3.222 305 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.685 305 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.685 305 G C -0.491 174.417 174.900 0.014 0.000 1.498 305 G CA 0.264 45.364 45.100 -0.000 0.000 1.195 305 G HN 0.513 nan 8.290 nan 0.000 0.602 306 K N -0.626 119.779 120.400 0.009 0.000 2.580 306 K HA 1.174 5.494 4.320 -0.000 0.000 0.288 306 K C -0.262 176.358 176.600 0.034 0.000 1.041 306 K CA 0.590 56.898 56.287 0.035 0.000 0.855 306 K CB 0.679 33.209 32.500 0.051 0.000 1.543 306 K HN 2.579 nan 8.250 nan 0.000 0.388 307 K N 1.550 121.993 120.400 0.072 0.000 2.604 307 K HA 0.565 4.885 4.320 -0.000 0.000 0.313 307 K C -0.907 175.785 176.600 0.154 0.000 1.206 307 K CA -0.105 56.235 56.287 0.087 0.000 1.059 307 K CB -0.367 32.182 32.500 0.081 0.000 1.363 307 K HN 1.130 nan 8.250 nan 0.000 0.494 308 L N 3.066 124.361 121.223 0.119 0.000 2.312 308 L HA 0.632 4.972 4.340 -0.000 0.000 0.287 308 L C 0.987 177.910 176.870 0.087 0.000 1.091 308 L CA -1.013 53.873 54.840 0.077 0.000 0.846 308 L CB -0.079 42.007 42.059 0.045 0.000 1.219 308 L HN 0.784 nan 8.230 nan 0.000 0.439 309 W N 2.461 123.750 121.300 -0.019 0.000 2.225 309 W HA 0.780 5.440 4.660 -0.000 0.000 0.377 309 W C -0.644 175.833 176.519 -0.070 0.000 1.418 309 W CA -0.689 56.633 57.345 -0.039 0.000 1.562 309 W CB 0.362 29.797 29.460 -0.042 0.000 1.297 309 W HN 0.311 nan 8.180 nan 0.000 0.686 310 T N 0.743 115.339 114.554 0.069 0.000 2.843 310 T HA 0.134 4.484 4.350 -0.000 0.000 0.302 310 T C -0.035 174.718 174.700 0.088 0.000 1.232 310 T CA -0.467 61.521 62.100 -0.187 0.000 1.009 310 T CB 2.195 70.988 68.868 -0.125 0.000 1.254 310 T HN 0.484 nan 8.240 nan 0.000 0.504 311 D N -0.550 119.816 120.400 -0.058 0.000 2.535 311 D HA 0.215 4.855 4.640 -0.000 0.000 0.229 311 D C 0.674 176.977 176.300 0.004 0.000 1.238 311 D CA -0.334 53.711 54.000 0.074 0.000 0.824 311 D CB 0.144 41.000 40.800 0.095 0.000 1.045 311 D HN 0.609 nan 8.370 nan 0.000 0.500 312 G N 0.258 109.041 108.800 -0.028 0.000 2.488 312 G HA2 0.540 4.500 3.960 -0.000 0.000 0.318 312 G HA3 0.540 4.500 3.960 -0.000 0.000 0.318 312 G C 0.188 175.091 174.900 0.004 0.000 1.188 312 G CA -0.299 44.789 45.100 -0.019 0.000 0.944 312 G HN 0.298 nan 8.290 nan 0.000 0.495 313 A N -0.194 122.630 122.820 0.008 0.000 2.567 313 A HA 0.104 4.424 4.320 -0.000 0.000 0.236 313 A C 1.517 179.110 177.584 0.015 0.000 1.088 313 A CA 0.645 52.690 52.037 0.014 0.000 0.776 313 A CB 0.077 19.087 19.000 0.016 0.000 1.033 313 A HN 0.736 nan 8.150 nan 0.000 0.513 314 D N 0.251 120.662 120.400 0.018 0.000 2.178 314 D HA 0.087 4.727 4.640 -0.000 0.000 0.202 314 D C 1.231 177.541 176.300 0.017 0.000 0.974 314 D CA 1.740 55.751 54.000 0.019 0.000 0.841 314 D CB -0.345 40.467 40.800 0.020 0.000 0.953 314 D HN 1.235 nan 8.370 nan 0.000 0.478 315 G N 0.843 109.654 108.800 0.018 0.000 2.894 315 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.247 315 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.247 315 G C -0.316 174.596 174.900 0.021 0.000 1.442 315 G CA -0.062 45.049 45.100 0.019 0.000 0.897 315 G HN 0.367 nan 8.290 nan 0.000 0.550 316 E N 1.402 121.616 120.200 0.023 0.000 2.425 316 E HA 0.259 4.608 4.350 -0.000 0.000 0.258 316 E C -1.696 174.917 176.600 0.022 0.000 1.151 316 E CA -0.417 55.999 56.400 0.027 0.000 0.958 316 E CB 0.508 30.226 29.700 0.031 0.000 0.968 316 E HN 0.437 nan 8.360 nan 0.000 0.451 317 P HA 0.160 nan 4.420 nan 0.000 0.281 317 P C -0.265 177.052 177.300 0.028 0.000 1.281 317 P CA -0.429 62.688 63.100 0.029 0.000 0.811 317 P CB 0.473 32.195 31.700 0.037 0.000 1.154 318 I N -1.839 118.749 120.570 0.030 0.000 2.696 318 I HA 0.335 4.504 4.170 -0.000 0.000 0.284 318 I C 0.319 176.470 176.117 0.057 0.000 1.129 318 I CA 0.024 61.342 61.300 0.031 0.000 1.410 318 I CB 0.832 38.853 38.000 0.034 0.000 1.399 318 I HN 0.207 nan 8.210 nan 0.000 0.579 319 S N 5.864 121.608 115.700 0.074 0.000 2.730 319 S HA 0.771 5.241 4.470 -0.000 0.000 0.284 319 S C -0.635 174.049 174.600 0.141 0.000 1.153 319 S CA -0.803 57.469 58.200 0.121 0.000 0.995 319 S CB 0.881 64.184 63.200 0.171 0.000 1.058 319 S HN 0.645 nan 8.310 nan 0.000 0.552 320 L N 2.323 123.636 121.223 0.151 0.000 2.543 320 L HA 0.450 4.790 4.340 -0.000 0.000 0.265 320 L C -1.756 175.166 176.870 0.086 0.000 0.945 320 L CA -0.710 54.222 54.840 0.153 0.000 0.869 320 L CB 1.912 44.073 42.059 0.170 0.000 1.294 320 L HN 0.763 nan 8.230 nan 0.000 0.405 321 Y N 2.724 122.890 120.300 -0.224 0.000 2.536 321 Y HA 0.684 5.234 4.550 -0.000 0.000 0.347 321 Y C -0.947 174.493 175.900 -0.767 0.000 1.000 321 Y CA -1.252 56.526 58.100 -0.536 0.000 1.051 321 Y CB 2.098 39.970 38.460 -0.980 0.000 1.259 321 Y HN 0.588 nan 8.280 nan 0.000 0.468 322 C N 5.406 123.844 119.300 -1.436 0.000 2.571 322 C HA 0.903 5.363 4.460 -0.000 0.000 0.343 322 C C -0.515 173.726 174.990 -1.249 0.000 1.082 322 C CA -0.241 57.931 59.018 -1.410 0.000 1.339 322 C CB -1.224 25.895 27.740 -1.035 0.000 1.893 322 C HN 1.026 nan 8.230 nan 0.000 0.445 323 A N 4.227 126.469 122.820 -0.963 0.000 2.271 323 A HA 0.677 4.997 4.320 -0.000 0.000 0.288 323 A C 0.509 177.932 177.584 -0.269 0.000 1.094 323 A CA -0.511 51.177 52.037 -0.582 0.000 0.828 323 A CB 0.291 19.101 19.000 -0.318 0.000 1.091 323 A HN 1.200 nan 8.150 nan 0.000 0.493 324 F N 0.169 120.009 119.950 -0.184 0.000 2.604 324 F HA 0.133 4.659 4.527 -0.000 0.000 0.298 324 F C 0.599 176.351 175.800 -0.080 0.000 1.131 324 F CA -0.147 57.783 58.000 -0.117 0.000 1.457 324 F CB -0.800 38.155 39.000 -0.075 0.000 1.095 324 F HN 0.567 nan 8.300 nan 0.000 0.574 325 N N 0.136 118.605 118.700 -0.385 0.000 2.961 325 N HA 0.024 4.764 4.740 -0.000 0.000 0.245 325 N C 0.292 175.657 175.510 -0.243 0.000 1.404 325 N CA -0.123 52.770 53.050 -0.262 0.000 0.880 325 N CB 1.093 39.446 38.487 -0.225 0.000 1.461 325 N HN 0.262 nan 8.380 nan 0.000 0.510 326 E N -0.192 119.918 120.200 -0.149 0.000 2.136 326 E HA -0.304 4.046 4.350 -0.000 0.000 0.202 326 E C 2.200 178.722 176.600 -0.130 0.000 1.019 326 E CA 2.375 58.707 56.400 -0.113 0.000 0.819 326 E CB -0.747 28.900 29.700 -0.089 0.000 0.739 326 E HN 0.521 nan 8.360 nan 0.000 0.458 327 L N 1.814 122.939 121.223 -0.163 0.000 1.938 327 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 327 L C 2.537 179.297 176.870 -0.184 0.000 1.085 327 L CA 2.654 57.399 54.840 -0.157 0.000 0.760 327 L CB -2.013 39.958 42.059 -0.148 0.000 0.888 327 L HN 0.289 nan 8.230 nan 0.000 0.433 328 D N -1.240 118.958 120.400 -0.337 0.000 2.565 328 D HA -0.369 4.271 4.640 -0.000 0.000 0.189 328 D C 1.877 178.146 176.300 -0.052 0.000 1.052 328 D CA 2.298 56.102 54.000 -0.327 0.000 0.889 328 D CB -0.310 39.942 40.800 -0.915 0.000 0.911 328 D HN 0.737 nan 8.370 nan 0.000 0.464 329 E N -0.549 119.628 120.200 -0.039 0.000 2.119 329 E HA -0.370 3.980 4.350 -0.000 0.000 0.221 329 E C 2.029 178.687 176.600 0.097 0.000 1.062 329 E CA 2.100 58.566 56.400 0.110 0.000 0.894 329 E CB -0.552 29.157 29.700 0.014 0.000 0.785 329 E HN 0.433 nan 8.360 nan 0.000 0.472 330 A N 0.295 123.114 122.820 -0.002 0.000 1.908 330 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 330 A C 2.413 179.957 177.584 -0.067 0.000 1.181 330 A CA 2.695 54.701 52.037 -0.051 0.000 0.627 330 A CB -1.250 17.704 19.000 -0.076 0.000 0.818 330 A HN 0.424 nan 8.150 nan 0.000 0.445 331 R N -1.223 119.257 120.500 -0.035 0.000 2.377 331 R HA 0.022 4.362 4.340 -0.000 0.000 0.207 331 R C 1.690 177.967 176.300 -0.039 0.000 1.075 331 R CA 1.625 57.705 56.100 -0.032 0.000 1.035 331 R CB -1.530 28.773 30.300 0.004 0.000 0.857 331 R HN 0.828 nan 8.270 nan 0.000 0.475 332 F N -1.141 118.676 119.950 -0.223 0.000 2.453 332 F HA 0.112 4.639 4.527 -0.000 0.000 0.284 332 F C 2.008 177.590 175.800 -0.364 0.000 1.065 332 F CA 0.605 58.379 58.000 -0.377 0.000 1.411 332 F CB 0.243 38.734 39.000 -0.848 0.000 1.131 332 F HN -0.089 nan 8.300 nan 0.000 0.582 333 V N 0.484 120.210 119.914 -0.313 0.000 2.287 333 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 333 V C 2.352 178.051 176.094 -0.659 0.000 1.053 333 V CA 1.802 63.717 62.300 -0.641 0.000 1.027 333 V CB -1.074 30.442 31.823 -0.512 0.000 0.646 333 V HN 0.300 nan 8.190 nan 0.000 0.447 334 V N 0.492 120.175 119.914 -0.385 0.000 2.223 334 V HA -0.328 3.792 4.120 -0.000 0.000 0.244 334 V C 2.312 178.262 176.094 -0.240 0.000 1.045 334 V CA 2.650 64.795 62.300 -0.259 0.000 1.000 334 V CB -1.065 30.669 31.823 -0.148 0.000 0.635 334 V HN 0.665 nan 8.190 nan 0.000 0.445 335 N N 0.196 118.751 118.700 -0.240 0.000 2.064 335 N HA -0.310 4.430 4.740 -0.000 0.000 0.200 335 N C 2.060 177.434 175.510 -0.227 0.000 1.028 335 N CA 2.583 55.510 53.050 -0.205 0.000 0.880 335 N CB -0.307 38.045 38.487 -0.224 0.000 1.062 335 N HN 0.160 nan 8.380 nan 0.000 0.454 336 R N -0.034 120.217 120.500 -0.414 0.000 2.140 336 R HA -0.114 4.225 4.340 -0.000 0.000 0.250 336 R C 2.167 178.429 176.300 -0.063 0.000 1.150 336 R CA 1.872 57.782 56.100 -0.316 0.000 0.966 336 R CB -1.287 28.711 30.300 -0.502 0.000 0.869 336 R HN 0.559 nan 8.270 nan 0.000 0.445 337 I N 0.356 120.864 120.570 -0.103 0.000 2.333 337 I HA -0.014 4.156 4.170 -0.000 0.000 0.246 337 I C 3.074 179.273 176.117 0.137 0.000 1.106 337 I CA 1.643 62.977 61.300 0.057 0.000 1.411 337 I CB -0.649 37.315 38.000 -0.060 0.000 1.082 337 I HN 0.466 nan 8.210 nan 0.000 0.420 338 K N 0.901 121.318 120.400 0.028 0.000 2.020 338 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 338 K C 2.084 178.720 176.600 0.058 0.000 1.050 338 K CA 2.552 58.859 56.287 0.034 0.000 0.929 338 K CB -1.922 30.572 32.500 -0.011 0.000 0.714 338 K HN 0.329 nan 8.250 nan 0.000 0.443 339 T N -0.618 113.966 114.554 0.050 0.000 2.699 339 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 339 T C 1.493 176.257 174.700 0.108 0.000 1.036 339 T CA 1.304 63.438 62.100 0.056 0.000 1.147 339 T CB -0.415 68.482 68.868 0.048 0.000 0.862 339 T HN 0.646 nan 8.240 nan 0.000 0.446 340 W N 1.750 123.042 121.300 -0.014 0.000 2.315 340 W HA -0.247 4.413 4.660 -0.000 0.000 0.323 340 W C 2.246 178.769 176.519 0.007 0.000 1.233 340 W CA 1.813 59.163 57.345 0.008 0.000 1.267 340 W CB -0.445 29.034 29.460 0.032 0.000 1.160 340 W HN 0.310 nan 8.180 nan 0.000 0.474 341 Q N 0.648 120.447 119.800 -0.002 0.000 2.123 341 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 341 Q C 2.137 178.064 176.000 -0.122 0.000 0.966 341 Q CA 2.217 57.943 55.803 -0.129 0.000 0.845 341 Q CB -0.641 28.120 28.738 0.038 0.000 0.907 341 Q HN 0.408 nan 8.270 nan 0.000 0.439 342 D N 0.246 120.612 120.400 -0.057 0.000 2.310 342 D HA -0.155 4.485 4.640 -0.000 0.000 0.212 342 D C 1.399 177.649 176.300 -0.082 0.000 0.965 342 D CA 1.133 55.102 54.000 -0.052 0.000 0.879 342 D CB -0.706 40.081 40.800 -0.022 0.000 0.921 342 D HN 0.389 nan 8.370 nan 0.000 0.510 343 N N -1.293 117.332 118.700 -0.124 0.000 2.422 343 N HA 0.254 4.994 4.740 -0.000 0.000 0.181 343 N C 1.549 176.922 175.510 -0.228 0.000 1.080 343 N CA 1.473 54.435 53.050 -0.148 0.000 0.893 343 N CB 0.582 38.992 38.487 -0.128 0.000 0.973 343 N HN 0.435 nan 8.380 nan 0.000 0.456 344 G N -2.135 106.491 108.800 -0.290 0.000 2.260 344 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.179 344 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.179 344 G C 0.486 175.122 174.900 -0.440 0.000 1.002 344 G CA -0.134 44.789 45.100 -0.295 0.000 0.677 344 G HN 0.597 nan 8.290 nan 0.000 0.486 345 G N -0.001 108.303 108.800 -0.827 0.000 2.516 345 G HA2 0.766 4.726 3.960 -0.000 0.000 0.276 345 G HA3 0.766 4.726 3.960 -0.000 0.000 0.276 345 G C 0.144 174.821 174.900 -0.371 0.000 1.390 345 G CA 0.384 44.816 45.100 -1.112 0.000 1.050 345 G HN 1.570 nan 8.290 nan 0.000 0.519 346 A N -1.481 121.449 122.820 0.183 0.000 2.414 346 A HA 0.582 4.901 4.320 -0.000 0.000 0.306 346 A C 0.894 178.795 177.584 0.528 0.000 1.054 346 A CA -0.681 51.544 52.037 0.315 0.000 0.724 346 A CB 1.286 20.419 19.000 0.222 0.000 1.267 346 A HN 0.564 nan 8.150 nan 0.000 0.418 347 L N 1.394 122.802 121.223 0.307 0.000 2.265 347 L HA -0.109 4.230 4.340 -0.000 0.000 0.215 347 L C 2.117 179.085 176.870 0.163 0.000 1.117 347 L CA 1.434 56.409 54.840 0.225 0.000 0.782 347 L CB -0.362 41.782 42.059 0.142 0.000 0.914 347 L HN 0.812 nan 8.230 nan 0.000 0.441 348 A N 0.086 123.017 122.820 0.184 0.000 2.543 348 A HA 0.105 4.425 4.320 -0.000 0.000 0.258 348 A C 1.014 178.717 177.584 0.199 0.000 1.391 348 A CA 0.249 52.385 52.037 0.165 0.000 1.066 348 A CB -0.461 18.630 19.000 0.152 0.000 0.972 348 A HN 0.508 nan 8.150 nan 0.000 0.560 349 E N -1.630 118.668 120.200 0.163 0.000 2.703 349 E HA 0.126 4.476 4.350 -0.000 0.000 0.214 349 E C -0.868 175.688 176.600 -0.073 0.000 0.944 349 E CA -0.172 56.309 56.400 0.135 0.000 1.299 349 E CB 0.653 30.484 29.700 0.218 0.000 1.189 349 E HN 0.596 nan 8.360 nan 0.000 0.597 350 C N 0.999 120.219 119.300 -0.133 0.000 2.493 350 C HA 0.920 5.380 4.460 -0.000 0.000 0.326 350 C C 0.013 174.828 174.990 -0.290 0.000 1.200 350 C CA -0.873 58.042 59.018 -0.171 0.000 1.739 350 C CB 1.107 28.821 27.740 -0.044 0.000 2.300 350 C HN 0.330 nan 8.230 nan 0.000 0.500 351 A N 0.818 123.448 122.820 -0.317 0.000 2.547 351 A HA 0.683 5.003 4.320 -0.000 0.000 0.279 351 A C -0.470 177.005 177.584 -0.182 0.000 1.088 351 A CA -0.136 51.588 52.037 -0.522 0.000 0.796 351 A CB 0.043 18.082 19.000 -1.601 0.000 1.308 351 A HN 1.741 nan 8.150 nan 0.000 0.415 352 I N 1.580 122.129 120.570 -0.036 0.000 2.483 352 I HA 0.591 4.761 4.170 -0.000 0.000 0.291 352 I C 0.451 176.557 176.117 -0.017 0.000 1.112 352 I CA 0.395 61.744 61.300 0.082 0.000 1.350 352 I CB -0.279 37.799 38.000 0.130 0.000 1.419 352 I HN 1.581 nan 8.210 nan 0.000 0.523 353 L N 6.700 127.901 121.223 -0.037 0.000 2.309 353 L HA 0.966 5.306 4.340 -0.000 0.000 0.282 353 L C -0.442 176.387 176.870 -0.069 0.000 1.036 353 L CA -1.158 53.563 54.840 -0.198 0.000 0.806 353 L CB 0.481 42.480 42.059 -0.099 0.000 1.220 353 L HN 1.204 nan 8.230 nan 0.000 0.429 354 Y N 0.146 120.485 120.300 0.065 0.000 2.524 354 Y HA 0.729 5.279 4.550 -0.000 0.000 0.347 354 Y C 0.768 176.715 175.900 0.078 0.000 1.005 354 Y CA -1.365 56.774 58.100 0.064 0.000 1.025 354 Y CB 1.640 40.128 38.460 0.047 0.000 1.275 354 Y HN 0.705 nan 8.280 nan 0.000 0.460 355 R N 0.918 121.566 120.500 0.246 0.000 2.119 355 R HA 0.185 4.525 4.340 -0.000 0.000 0.222 355 R C -0.337 176.084 176.300 0.201 0.000 1.088 355 R CA 0.994 57.213 56.100 0.197 0.000 0.984 355 R CB 0.067 30.454 30.300 0.145 0.000 0.884 355 R HN 0.733 nan 8.270 nan 0.000 0.447 356 S N 0.354 116.174 115.700 0.200 0.000 2.654 356 S HA 0.215 4.685 4.470 -0.000 0.000 0.283 356 S C 0.034 174.736 174.600 0.170 0.000 1.180 356 S CA -0.926 57.344 58.200 0.117 0.000 1.021 356 S CB 1.618 64.840 63.200 0.037 0.000 1.018 356 S HN 0.256 nan 8.310 nan 0.000 0.532 357 N N 0.882 119.633 118.700 0.086 0.000 2.409 357 N HA 0.082 4.822 4.740 -0.000 0.000 0.174 357 N C 1.759 177.224 175.510 -0.076 0.000 1.037 357 N CA 0.628 53.723 53.050 0.074 0.000 0.898 357 N CB -0.277 38.258 38.487 0.079 0.000 1.010 357 N HN 0.656 nan 8.380 nan 0.000 0.445 358 A N 1.290 124.074 122.820 -0.060 0.000 1.865 358 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 358 A C 1.906 179.395 177.584 -0.160 0.000 1.191 358 A CA 2.174 54.164 52.037 -0.079 0.000 0.623 358 A CB -1.391 17.586 19.000 -0.038 0.000 0.826 358 A HN 0.434 nan 8.150 nan 0.000 0.444 359 Q N 0.193 119.882 119.800 -0.186 0.000 2.177 359 Q HA 0.274 4.614 4.340 -0.000 0.000 0.148 359 Q C 1.081 176.787 176.000 -0.490 0.000 0.817 359 Q CA 1.232 56.885 55.803 -0.250 0.000 1.023 359 Q CB -1.489 27.159 28.738 -0.151 0.000 1.514 359 Q HN 1.077 nan 8.270 nan 0.000 0.352 360 S N -2.496 112.941 115.700 -0.437 0.000 3.429 360 S HA 0.215 4.685 4.470 -0.000 0.000 0.237 360 S C 2.266 176.699 174.600 -0.278 0.000 1.037 360 S CA 0.712 58.619 58.200 -0.488 0.000 0.806 360 S CB -0.485 62.409 63.200 -0.510 0.000 0.882 360 S HN 0.896 nan 8.310 nan 0.000 0.556 361 R N 2.077 122.452 120.500 -0.207 0.000 2.165 361 R HA -0.111 4.229 4.340 -0.000 0.000 0.254 361 R C 2.436 178.635 176.300 -0.168 0.000 1.153 361 R CA 2.331 58.330 56.100 -0.169 0.000 0.971 361 R CB -2.330 27.901 30.300 -0.115 0.000 0.878 361 R HN 0.607 nan 8.270 nan 0.000 0.449 362 V N 0.230 120.052 119.914 -0.154 0.000 2.453 362 V HA -0.209 3.911 4.120 -0.000 0.000 0.252 362 V C 3.028 179.038 176.094 -0.139 0.000 1.068 362 V CA 2.303 64.525 62.300 -0.131 0.000 1.070 362 V CB -1.242 30.508 31.823 -0.121 0.000 0.664 362 V HN 0.728 nan 8.190 nan 0.000 0.461 363 L N -1.205 119.917 121.223 -0.168 0.000 2.509 363 L HA 0.249 4.589 4.340 -0.000 0.000 0.222 363 L C 2.177 178.922 176.870 -0.209 0.000 1.123 363 L CA 1.504 56.251 54.840 -0.156 0.000 0.856 363 L CB -0.818 41.167 42.059 -0.124 0.000 0.985 363 L HN 0.407 nan 8.230 nan 0.000 0.456 364 E N -0.179 119.844 120.200 -0.296 0.000 2.030 364 E HA -0.164 4.186 4.350 -0.000 0.000 0.189 364 E C 2.103 178.534 176.600 -0.281 0.000 0.974 364 E CA 0.969 57.072 56.400 -0.495 0.000 0.807 364 E CB 0.033 29.336 29.700 -0.661 0.000 0.771 364 E HN 0.833 nan 8.360 nan 0.000 0.451 365 E N 1.353 121.443 120.200 -0.183 0.000 2.208 365 E HA -0.275 4.075 4.350 -0.000 0.000 0.202 365 E C 1.846 178.406 176.600 -0.068 0.000 1.014 365 E CA 1.311 57.655 56.400 -0.093 0.000 0.819 365 E CB -0.297 29.358 29.700 -0.075 0.000 0.735 365 E HN 0.261 nan 8.360 nan 0.000 0.469 366 A N 0.922 123.688 122.820 -0.090 0.000 1.865 366 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 366 A C 2.219 179.781 177.584 -0.036 0.000 1.191 366 A CA 1.547 53.544 52.037 -0.066 0.000 0.623 366 A CB -0.745 18.204 19.000 -0.086 0.000 0.826 366 A HN 0.200 nan 8.150 nan 0.000 0.444 367 L N -0.515 120.692 121.223 -0.026 0.000 2.093 367 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 367 L C 3.067 179.989 176.870 0.087 0.000 1.085 367 L CA 1.251 56.122 54.840 0.052 0.000 0.755 367 L CB -0.959 41.194 42.059 0.157 0.000 0.904 367 L HN 0.475 nan 8.230 nan 0.000 0.435 368 L N -1.083 120.192 121.223 0.087 0.000 1.961 368 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 368 L C 2.493 179.388 176.870 0.042 0.000 1.075 368 L CA 2.327 57.221 54.840 0.090 0.000 0.749 368 L CB -1.534 40.575 42.059 0.083 0.000 0.890 368 L HN 0.275 nan 8.230 nan 0.000 0.433 369 Q N -0.329 119.482 119.800 0.018 0.000 2.165 369 Q HA -0.296 4.044 4.340 -0.000 0.000 0.215 369 Q C 2.298 178.303 176.000 0.010 0.000 1.010 369 Q CA 2.458 58.265 55.803 0.007 0.000 0.896 369 Q CB -0.518 28.216 28.738 -0.006 0.000 0.956 369 Q HN 0.897 nan 8.270 nan 0.000 0.413 370 A N -0.462 122.363 122.820 0.009 0.000 2.260 370 A HA 0.010 4.330 4.320 -0.000 0.000 0.208 370 A C 1.402 178.997 177.584 0.018 0.000 1.588 370 A CA 1.618 53.660 52.037 0.008 0.000 0.600 370 A CB -0.083 18.916 19.000 -0.001 0.000 1.142 370 A HN 0.495 nan 8.150 nan 0.000 0.494 371 S N -3.055 112.661 115.700 0.026 0.000 3.457 371 S HA 0.196 4.666 4.470 -0.000 0.000 0.137 371 S C -0.220 174.402 174.600 0.037 0.000 0.820 371 S CA -0.394 57.823 58.200 0.029 0.000 1.323 371 S CB -1.120 62.091 63.200 0.018 0.000 1.078 371 S HN 0.319 nan 8.310 nan 0.000 0.661 372 M N 3.921 123.552 119.600 0.052 0.000 2.108 372 M HA 0.395 4.875 4.480 -0.000 0.000 0.354 372 M C -2.730 173.623 176.300 0.089 0.000 1.229 372 M CA -1.793 53.544 55.300 0.062 0.000 1.081 372 M CB 1.070 33.705 32.600 0.059 0.000 1.606 372 M HN -0.002 nan 8.290 nan 0.000 0.467 373 P HA 0.090 nan 4.420 nan 0.000 0.275 373 P C -1.503 175.767 177.300 -0.051 0.000 1.276 373 P CA 0.059 63.121 63.100 -0.063 0.000 0.782 373 P CB -0.201 31.456 31.700 -0.072 0.000 0.851 374 Y N 2.547 122.863 120.300 0.026 0.000 2.486 374 Y HA 0.701 5.251 4.550 -0.000 0.000 0.356 374 Y C 0.460 176.393 175.900 0.054 0.000 1.330 374 Y CA -1.382 56.741 58.100 0.038 0.000 1.557 374 Y CB 0.913 39.391 38.460 0.031 0.000 1.647 374 Y HN 0.345 nan 8.280 nan 0.000 0.585 375 R N 1.005 121.691 120.500 0.311 0.000 3.090 375 R HA 0.318 4.658 4.340 -0.000 0.000 0.264 375 R C -2.478 174.008 176.300 0.310 0.000 1.380 375 R CA -0.260 55.952 56.100 0.187 0.000 0.952 375 R CB -0.086 30.273 30.300 0.098 0.000 1.428 375 R HN 0.711 nan 8.270 nan 0.000 0.371 376 I N 3.705 124.461 120.570 0.309 0.000 2.638 376 I HA 0.202 4.372 4.170 -0.000 0.000 0.286 376 I C -0.349 175.857 176.117 0.149 0.000 1.088 376 I CA 0.064 61.543 61.300 0.299 0.000 1.397 376 I CB 0.412 38.563 38.000 0.252 0.000 1.414 376 I HN 0.364 nan 8.210 nan 0.000 0.566 377 Y N 4.005 124.389 120.300 0.140 0.000 2.388 377 Y HA 0.576 5.126 4.550 -0.000 0.000 0.328 377 Y C 0.785 176.755 175.900 0.116 0.000 0.963 377 Y CA -0.439 57.727 58.100 0.109 0.000 1.240 377 Y CB 1.536 40.049 38.460 0.088 0.000 1.118 377 Y HN 0.690 nan 8.280 nan 0.000 0.484 378 G N 0.694 109.598 108.800 0.174 0.000 2.553 378 G HA2 0.508 4.467 3.960 -0.000 0.000 0.190 378 G HA3 0.508 4.467 3.960 -0.000 0.000 0.190 378 G C 0.350 175.316 174.900 0.110 0.000 1.217 378 G CA 0.447 45.638 45.100 0.151 0.000 0.654 378 G HN 0.886 nan 8.290 nan 0.000 0.727 379 G N -1.492 107.353 108.800 0.075 0.000 2.694 379 G HA2 0.505 4.465 3.960 -0.000 0.000 0.246 379 G HA3 0.505 4.465 3.960 -0.000 0.000 0.246 379 G C -0.519 174.406 174.900 0.042 0.000 1.205 379 G CA 0.055 45.193 45.100 0.062 0.000 0.891 379 G HN 0.991 nan 8.290 nan 0.000 0.515 380 M N 0.432 120.057 119.600 0.041 0.000 3.655 380 M HA -0.096 4.383 4.480 -0.000 0.000 0.163 380 M C 0.059 176.377 176.300 0.030 0.000 1.450 380 M CA -0.332 54.985 55.300 0.028 0.000 0.973 380 M CB -1.561 31.049 32.600 0.017 0.000 1.310 380 M HN 0.548 nan 8.290 nan 0.000 0.488 381 R N 1.781 122.310 120.500 0.049 0.000 2.368 381 R HA 0.518 4.858 4.340 -0.000 0.000 0.302 381 R C 1.060 177.404 176.300 0.074 0.000 1.002 381 R CA -0.031 56.115 56.100 0.076 0.000 0.929 381 R CB 0.568 30.930 30.300 0.104 0.000 1.073 381 R HN 0.587 nan 8.270 nan 0.000 0.464 382 F N 1.886 121.754 119.950 -0.136 0.000 2.138 382 F HA -0.358 4.168 4.527 -0.000 0.000 0.290 382 F C 1.457 177.073 175.800 -0.306 0.000 1.133 382 F CA 2.231 60.048 58.000 -0.304 0.000 1.280 382 F CB -0.513 38.150 39.000 -0.563 0.000 0.924 382 F HN 0.672 nan 8.300 nan 0.000 0.528 383 F N 0.230 120.281 119.950 0.168 0.000 2.773 383 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 383 F C 1.845 177.628 175.800 -0.028 0.000 1.204 383 F CA 0.836 58.851 58.000 0.024 0.000 1.454 383 F CB -0.552 38.506 39.000 0.096 0.000 1.117 383 F HN 0.194 nan 8.300 nan 0.000 0.590 384 E N -0.790 119.447 120.200 0.060 0.000 2.447 384 E HA 0.068 4.418 4.350 -0.000 0.000 0.204 384 E C 0.822 177.409 176.600 -0.021 0.000 0.977 384 E CA -0.316 56.112 56.400 0.048 0.000 0.950 384 E CB 0.386 30.125 29.700 0.065 0.000 0.975 384 E HN 0.090 nan 8.360 nan 0.000 0.496 385 R N 1.457 121.886 120.500 -0.117 0.000 2.817 385 R HA -0.113 4.227 4.340 -0.000 0.000 0.264 385 R C 1.355 177.597 176.300 -0.097 0.000 1.009 385 R CA 0.521 56.532 56.100 -0.148 0.000 1.133 385 R CB 0.087 30.205 30.300 -0.304 0.000 1.013 385 R HN 0.359 nan 8.270 nan 0.000 0.453 386 Q N 1.032 120.797 119.800 -0.058 0.000 2.163 386 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 386 Q C 1.251 177.255 176.000 0.008 0.000 0.954 386 Q CA 1.195 57.003 55.803 0.008 0.000 0.851 386 Q CB -0.010 28.765 28.738 0.063 0.000 0.928 386 Q HN 0.668 nan 8.270 nan 0.000 0.459 387 E N 1.049 121.169 120.200 -0.133 0.000 2.274 387 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 387 E C 1.768 178.242 176.600 -0.211 0.000 0.996 387 E CA 0.819 57.021 56.400 -0.329 0.000 0.840 387 E CB -0.129 28.944 29.700 -1.045 0.000 0.772 387 E HN 0.580 nan 8.360 nan 0.000 0.491 388 I N 0.770 121.213 120.570 -0.211 0.000 2.494 388 I HA -0.104 4.066 4.170 -0.000 0.000 0.250 388 I C 2.349 178.462 176.117 -0.008 0.000 1.112 388 I CA 0.537 61.731 61.300 -0.177 0.000 1.438 388 I CB 0.006 37.748 38.000 -0.430 0.000 1.111 388 I HN -0.049 nan 8.210 nan 0.000 0.431 389 K N 0.603 121.010 120.400 0.011 0.000 2.362 389 K HA -0.149 4.171 4.320 -0.000 0.000 0.200 389 K C 1.262 177.928 176.600 0.110 0.000 1.046 389 K CA 0.992 57.322 56.287 0.071 0.000 0.952 389 K CB -0.046 32.490 32.500 0.059 0.000 0.753 389 K HN 0.272 nan 8.250 nan 0.000 0.466 390 D N 0.824 121.300 120.400 0.127 0.000 2.091 390 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 390 D C 1.877 178.358 176.300 0.301 0.000 0.980 390 D CA 1.204 55.336 54.000 0.220 0.000 0.831 390 D CB -0.217 40.739 40.800 0.260 0.000 0.987 390 D HN 0.120 nan 8.370 nan 0.000 0.460 391 A N 0.495 123.433 122.820 0.197 0.000 1.933 391 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 391 A C 2.090 179.809 177.584 0.225 0.000 1.175 391 A CA 1.038 53.184 52.037 0.181 0.000 0.628 391 A CB -0.582 18.470 19.000 0.087 0.000 0.814 391 A HN 0.141 nan 8.150 nan 0.000 0.444 392 L N -0.177 121.163 121.223 0.195 0.000 2.109 392 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 392 L C 2.671 179.635 176.870 0.157 0.000 1.086 392 L CA 2.012 56.961 54.840 0.182 0.000 0.760 392 L CB -0.789 41.368 42.059 0.163 0.000 0.910 392 L HN 0.299 nan 8.230 nan 0.000 0.437 393 S N -1.779 114.013 115.700 0.154 0.000 2.442 393 S HA -0.172 4.298 4.470 -0.000 0.000 0.236 393 S C 1.817 176.435 174.600 0.029 0.000 1.007 393 S CA 0.884 59.131 58.200 0.078 0.000 0.965 393 S CB -0.341 62.887 63.200 0.046 0.000 0.773 393 S HN 0.363 nan 8.310 nan 0.000 0.504 394 Y N 1.561 121.913 120.300 0.087 0.000 2.176 394 Y HA 0.061 4.611 4.550 -0.000 0.000 0.291 394 Y C 2.133 178.063 175.900 0.050 0.000 1.122 394 Y CA 0.752 58.902 58.100 0.083 0.000 1.128 394 Y CB -0.562 37.947 38.460 0.080 0.000 1.005 394 Y HN 0.115 nan 8.280 nan 0.000 0.509 395 L N -0.361 120.984 121.223 0.204 0.000 2.021 395 L HA -0.335 4.005 4.340 -0.000 0.000 0.215 395 L C 2.569 179.471 176.870 0.054 0.000 1.074 395 L CA 1.571 56.477 54.840 0.110 0.000 0.760 395 L CB -0.603 41.522 42.059 0.110 0.000 0.889 395 L HN 0.197 nan 8.230 nan 0.000 0.433 396 R N -0.016 120.514 120.500 0.050 0.000 2.096 396 R HA -0.208 4.132 4.340 -0.000 0.000 0.240 396 R C 2.288 178.575 176.300 -0.022 0.000 1.139 396 R CA 1.562 57.668 56.100 0.011 0.000 0.952 396 R CB -0.719 29.592 30.300 0.017 0.000 0.854 396 R HN 0.364 nan 8.270 nan 0.000 0.436 397 L N 0.451 121.660 121.223 -0.022 0.000 2.131 397 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 397 L C 2.400 179.198 176.870 -0.121 0.000 1.092 397 L CA 1.019 55.817 54.840 -0.071 0.000 0.759 397 L CB -0.284 41.750 42.059 -0.042 0.000 0.903 397 L HN 0.211 nan 8.230 nan 0.000 0.435 398 I N -0.660 119.876 120.570 -0.057 0.000 2.252 398 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 398 I C 2.602 178.668 176.117 -0.085 0.000 1.102 398 I CA 1.470 62.732 61.300 -0.062 0.000 1.385 398 I CB -0.397 37.595 38.000 -0.013 0.000 1.064 398 I HN 0.189 nan 8.210 nan 0.000 0.414 399 V N -0.343 119.529 119.914 -0.068 0.000 2.407 399 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 399 V C 1.032 177.062 176.094 -0.107 0.000 1.041 399 V CA 1.763 64.017 62.300 -0.076 0.000 1.040 399 V CB -0.323 31.465 31.823 -0.059 0.000 0.671 399 V HN 0.482 nan 8.190 nan 0.000 0.455 400 N N -0.986 117.642 118.700 -0.120 0.000 2.558 400 N HA 0.371 5.111 4.740 -0.000 0.000 0.285 400 N C 0.366 175.748 175.510 -0.214 0.000 1.112 400 N CA -0.672 52.289 53.050 -0.147 0.000 0.857 400 N CB 1.162 39.595 38.487 -0.090 0.000 1.376 400 N HN 0.134 nan 8.380 nan 0.000 0.526 401 R N 1.334 121.600 120.500 -0.390 0.000 2.241 401 R HA 0.062 4.402 4.340 -0.000 0.000 0.224 401 R C 0.796 176.861 176.300 -0.391 0.000 1.101 401 R CA 0.990 56.663 56.100 -0.713 0.000 0.995 401 R CB -0.187 29.289 30.300 -1.373 0.000 0.870 401 R HN 0.600 nan 8.270 nan 0.000 0.463 402 N N 0.354 118.931 118.700 -0.205 0.000 2.280 402 N HA -0.071 4.669 4.740 -0.000 0.000 0.192 402 N C -0.400 175.101 175.510 -0.015 0.000 1.109 402 N CA 0.120 53.130 53.050 -0.068 0.000 0.855 402 N CB 0.206 38.653 38.487 -0.067 0.000 0.974 402 N HN 0.095 nan 8.380 nan 0.000 0.482 403 D N 1.953 122.351 120.400 -0.003 0.000 2.482 403 D HA -0.030 4.610 4.640 -0.000 0.000 0.244 403 D C 0.547 176.900 176.300 0.089 0.000 1.242 403 D CA -0.004 54.012 54.000 0.026 0.000 1.097 403 D CB 0.085 40.897 40.800 0.019 0.000 1.109 403 D HN -0.027 nan 8.370 nan 0.000 0.510 404 D N 2.297 122.728 120.400 0.052 0.000 2.239 404 D HA -0.208 4.432 4.640 -0.000 0.000 0.202 404 D C 1.713 178.091 176.300 0.129 0.000 0.993 404 D CA 1.189 55.230 54.000 0.068 0.000 0.874 404 D CB 0.058 40.849 40.800 -0.013 0.000 0.922 404 D HN 0.547 nan 8.370 nan 0.000 0.464 405 A N 1.219 124.090 122.820 0.084 0.000 1.828 405 A HA -0.028 4.291 4.320 -0.000 0.000 0.215 405 A C 2.396 180.046 177.584 0.110 0.000 1.203 405 A CA 2.393 54.478 52.037 0.080 0.000 0.614 405 A CB -1.089 17.935 19.000 0.039 0.000 0.844 405 A HN 0.226 nan 8.150 nan 0.000 0.445 406 A N -1.219 121.660 122.820 0.097 0.000 1.917 406 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 406 A C 2.074 179.724 177.584 0.111 0.000 1.182 406 A CA 1.854 53.938 52.037 0.078 0.000 0.633 406 A CB -0.865 18.166 19.000 0.052 0.000 0.819 406 A HN 0.709 nan 8.150 nan 0.000 0.448 407 F N 0.424 120.409 119.950 0.060 0.000 2.000 407 F HA -0.244 4.283 4.527 -0.000 0.000 0.296 407 F C 2.325 178.154 175.800 0.048 0.000 1.159 407 F CA 2.451 60.522 58.000 0.118 0.000 1.183 407 F CB -0.392 38.712 39.000 0.173 0.000 0.959 407 F HN 0.360 nan 8.300 nan 0.000 0.490 408 E N 0.140 120.633 120.200 0.487 0.000 2.284 408 E HA -0.313 4.037 4.350 -0.000 0.000 0.200 408 E C 2.354 178.994 176.600 0.066 0.000 1.008 408 E CA 1.180 57.747 56.400 0.279 0.000 0.829 408 E CB -0.237 29.594 29.700 0.219 0.000 0.744 408 E HN 0.428 nan 8.360 nan 0.000 0.491 409 R N 0.096 120.619 120.500 0.038 0.000 2.075 409 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 409 R C 1.999 178.268 176.300 -0.053 0.000 1.114 409 R CA 1.544 57.648 56.100 0.006 0.000 0.972 409 R CB 0.320 30.640 30.300 0.033 0.000 0.869 409 R HN 0.190 nan 8.270 nan 0.000 0.437 410 V N -2.520 117.306 119.914 -0.147 0.000 3.330 410 V HA 0.164 4.284 4.120 -0.000 0.000 0.309 410 V C 1.481 177.312 176.094 -0.439 0.000 1.481 410 V CA 0.101 62.285 62.300 -0.192 0.000 1.068 410 V CB 0.263 31.974 31.823 -0.187 0.000 0.935 410 V HN 0.062 nan 8.190 nan 0.000 0.453 411 V N 1.533 121.031 119.914 -0.694 0.000 2.453 411 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 411 V C 1.511 176.940 176.094 -1.108 0.000 1.068 411 V CA 2.841 64.291 62.300 -1.417 0.000 1.070 411 V CB -0.405 30.667 31.823 -1.251 0.000 0.664 411 V HN 0.854 nan 8.190 nan 0.000 0.461 412 N N -0.745 117.629 118.700 -0.542 0.000 2.433 412 N HA 0.144 4.884 4.740 -0.000 0.000 0.270 412 N C -0.900 174.503 175.510 -0.179 0.000 1.354 412 N CA 0.104 52.956 53.050 -0.329 0.000 0.889 412 N CB 0.461 38.808 38.487 -0.234 0.000 1.285 412 N HN 0.429 nan 8.380 nan 0.000 0.503 413 T N 1.598 116.075 114.554 -0.129 0.000 2.985 413 T HA 0.356 4.706 4.350 -0.000 0.000 0.315 413 T C -2.716 172.048 174.700 0.106 0.000 1.001 413 T CA -0.866 61.223 62.100 -0.018 0.000 1.016 413 T CB 2.229 71.104 68.868 0.010 0.000 0.993 413 T HN 0.054 nan 8.240 nan 0.000 0.454 414 P HA 0.115 nan 4.420 nan 0.000 0.271 414 P C 0.344 177.611 177.300 -0.054 0.000 1.238 414 P CA -0.321 62.756 63.100 -0.039 0.000 0.794 414 P CB 0.186 31.859 31.700 -0.046 0.000 0.959 415 T N -1.443 113.070 114.554 -0.068 0.000 2.916 415 T HA 0.258 4.608 4.350 -0.000 0.000 0.303 415 T C 0.497 175.160 174.700 -0.062 0.000 1.025 415 T CA -0.403 61.652 62.100 -0.075 0.000 1.142 415 T CB 0.091 68.920 68.868 -0.064 0.000 0.947 415 T HN 0.589 nan 8.240 nan 0.000 0.544 416 R N 1.078 121.532 120.500 -0.075 0.000 2.559 416 R HA 0.516 4.856 4.340 -0.000 0.000 0.448 416 R C 1.097 177.368 176.300 -0.049 0.000 0.953 416 R CA -0.442 55.629 56.100 -0.047 0.000 1.086 416 R CB -0.288 29.995 30.300 -0.028 0.000 1.491 416 R HN 1.057 nan 8.270 nan 0.000 0.597 417 G N 1.071 109.838 108.800 -0.055 0.000 2.213 417 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.236 417 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.236 417 G C -0.067 174.800 174.900 -0.055 0.000 0.991 417 G CA 0.027 45.100 45.100 -0.045 0.000 0.629 417 G HN 0.224 nan 8.290 nan 0.000 0.517 418 I N 3.041 123.558 120.570 -0.088 0.000 2.281 418 I HA 0.547 4.716 4.170 -0.000 0.000 0.293 418 I C 1.411 177.484 176.117 -0.074 0.000 1.085 418 I CA 0.366 61.613 61.300 -0.087 0.000 1.257 418 I CB 0.794 38.710 38.000 -0.140 0.000 1.430 418 I HN 0.231 nan 8.210 nan 0.000 0.489 419 G N 3.635 112.407 108.800 -0.046 0.000 2.553 419 G HA2 0.081 4.041 3.960 -0.000 0.000 0.278 419 G HA3 0.081 4.041 3.960 -0.000 0.000 0.278 419 G C 0.521 175.405 174.900 -0.026 0.000 1.349 419 G CA -0.322 44.757 45.100 -0.035 0.000 1.037 419 G HN 0.572 nan 8.290 nan 0.000 0.508 420 D N -0.945 119.445 120.400 -0.017 0.000 2.249 420 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 420 D C 2.409 178.707 176.300 -0.003 0.000 0.962 420 D CA 0.068 54.064 54.000 -0.007 0.000 0.860 420 D CB 0.184 40.981 40.800 -0.005 0.000 0.955 420 D HN 0.114 nan 8.370 nan 0.000 0.505 421 R N 0.911 121.408 120.500 -0.006 0.000 2.096 421 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 421 R C 1.833 178.131 176.300 -0.003 0.000 1.127 421 R CA 1.006 57.103 56.100 -0.004 0.000 0.968 421 R CB -0.735 29.561 30.300 -0.006 0.000 0.861 421 R HN 0.114 nan 8.270 nan 0.000 0.440 422 T N 1.268 115.819 114.554 -0.004 0.000 2.851 422 T HA 0.045 4.395 4.350 -0.000 0.000 0.262 422 T C 1.907 176.614 174.700 0.011 0.000 1.043 422 T CA 0.755 62.855 62.100 -0.001 0.000 1.140 422 T CB -0.013 68.851 68.868 -0.007 0.000 0.872 422 T HN 0.144 nan 8.240 nan 0.000 0.446 423 L N 1.023 122.255 121.223 0.016 0.000 2.141 423 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 423 L C 2.339 179.225 176.870 0.028 0.000 1.094 423 L CA 0.983 55.846 54.840 0.039 0.000 0.763 423 L CB -0.554 41.529 42.059 0.040 0.000 0.908 423 L HN 0.179 nan 8.230 nan 0.000 0.437 424 D N -0.157 120.252 120.400 0.015 0.000 2.178 424 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 424 D C 2.299 178.601 176.300 0.004 0.000 0.974 424 D CA 1.096 55.102 54.000 0.009 0.000 0.841 424 D CB 0.076 40.879 40.800 0.005 0.000 0.953 424 D HN 0.162 nan 8.370 nan 0.000 0.478 425 V N 0.699 120.614 119.914 0.003 0.000 2.379 425 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 425 V C 2.680 178.770 176.094 -0.007 0.000 1.044 425 V CA 0.806 63.104 62.300 -0.003 0.000 1.036 425 V CB -0.427 31.393 31.823 -0.004 0.000 0.664 425 V HN 0.025 nan 8.190 nan 0.000 0.453 426 V N 0.113 120.027 119.914 -0.000 0.000 2.237 426 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 426 V C 2.613 178.691 176.094 -0.028 0.000 1.046 426 V CA 2.222 64.515 62.300 -0.012 0.000 1.007 426 V CB -0.841 30.992 31.823 0.017 0.000 0.638 426 V HN 0.432 nan 8.190 nan 0.000 0.445 427 R N -0.156 120.338 120.500 -0.011 0.000 2.133 427 R HA -0.287 4.053 4.340 -0.000 0.000 0.245 427 R C 2.544 178.831 176.300 -0.021 0.000 1.137 427 R CA 2.466 58.557 56.100 -0.016 0.000 0.947 427 R CB -0.742 29.561 30.300 0.005 0.000 0.865 427 R HN 0.577 nan 8.270 nan 0.000 0.437 428 Q N 0.129 119.920 119.800 -0.015 0.000 2.002 428 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 428 Q C 2.177 178.164 176.000 -0.021 0.000 0.988 428 Q CA 2.346 58.139 55.803 -0.016 0.000 0.843 428 Q CB -0.876 27.855 28.738 -0.012 0.000 0.908 428 Q HN 0.616 nan 8.270 nan 0.000 0.420 429 T N 0.310 114.851 114.554 -0.023 0.000 2.721 429 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 429 T C 1.976 176.658 174.700 -0.031 0.000 1.038 429 T CA 1.722 63.807 62.100 -0.025 0.000 1.145 429 T CB -0.747 68.105 68.868 -0.027 0.000 0.858 429 T HN 0.495 nan 8.240 nan 0.000 0.459 430 S N 0.774 116.450 115.700 -0.041 0.000 2.356 430 S HA -0.157 4.312 4.470 -0.000 0.000 0.223 430 S C 2.235 176.812 174.600 -0.039 0.000 1.032 430 S CA 1.700 59.870 58.200 -0.050 0.000 1.005 430 S CB -0.195 62.962 63.200 -0.072 0.000 0.867 430 S HN 0.704 nan 8.310 nan 0.000 0.449 431 R N 0.296 120.776 120.500 -0.033 0.000 2.119 431 R HA 0.024 4.363 4.340 -0.000 0.000 0.222 431 R C 1.266 177.552 176.300 -0.024 0.000 1.088 431 R CA 1.720 57.803 56.100 -0.028 0.000 0.984 431 R CB -0.527 29.758 30.300 -0.024 0.000 0.884 431 R HN 0.250 nan 8.270 nan 0.000 0.447 432 D N 1.314 121.701 120.400 -0.022 0.000 2.269 432 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 432 D C 1.166 177.456 176.300 -0.018 0.000 0.963 432 D CA 1.118 55.107 54.000 -0.019 0.000 0.864 432 D CB 0.160 40.949 40.800 -0.017 0.000 0.936 432 D HN 0.564 nan 8.370 nan 0.000 0.505 433 R N -0.080 120.409 120.500 -0.019 0.000 2.572 433 R HA 0.250 4.590 4.340 -0.000 0.000 0.370 433 R C -0.278 176.011 176.300 -0.018 0.000 1.005 433 R CA -0.355 55.735 56.100 -0.016 0.000 1.146 433 R CB -0.194 30.098 30.300 -0.014 0.000 1.390 433 R HN -0.233 nan 8.270 nan 0.000 0.553 434 Q N 1.414 121.201 119.800 -0.022 0.000 2.434 434 Q HA -0.150 4.190 4.340 -0.000 0.000 0.366 434 Q C -1.225 174.760 176.000 -0.024 0.000 1.398 434 Q CA 0.735 56.523 55.803 -0.025 0.000 1.074 434 Q CB -0.969 27.756 28.738 -0.022 0.000 1.236 434 Q HN 0.484 nan 8.270 nan 0.000 0.329 435 L N -0.230 120.975 121.223 -0.029 0.000 2.424 435 L HA 0.581 4.920 4.340 -0.000 0.000 0.258 435 L C 0.804 177.650 176.870 -0.040 0.000 0.995 435 L CA -1.048 53.778 54.840 -0.024 0.000 0.821 435 L CB 2.037 44.087 42.059 -0.015 0.000 1.383 435 L HN 0.370 nan 8.230 nan 0.000 0.410 436 T N -1.790 112.744 114.554 -0.033 0.000 2.734 436 T HA 0.191 4.541 4.350 -0.000 0.000 0.314 436 T C 1.351 175.985 174.700 -0.109 0.000 1.057 436 T CA -0.434 61.631 62.100 -0.058 0.000 1.047 436 T CB 0.661 69.513 68.868 -0.027 0.000 0.991 436 T HN 0.479 nan 8.240 nan 0.000 0.540 437 L N -0.175 120.909 121.223 -0.232 0.000 2.043 437 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 437 L C 2.633 179.218 176.870 -0.476 0.000 1.075 437 L CA 1.710 56.260 54.840 -0.484 0.000 0.752 437 L CB -0.536 40.958 42.059 -0.942 0.000 0.891 437 L HN 0.765 nan 8.230 nan 0.000 0.432 438 W N 1.250 122.246 121.300 -0.507 0.000 2.358 438 W HA -0.201 4.459 4.660 -0.000 0.000 0.303 438 W C 2.380 178.846 176.519 -0.088 0.000 1.208 438 W CA 1.717 58.949 57.345 -0.189 0.000 1.274 438 W CB -0.217 29.222 29.460 -0.036 0.000 1.138 438 W HN 0.323 nan 8.180 nan 0.000 0.515 439 Q N 0.075 119.992 119.800 0.195 0.000 2.079 439 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 439 Q C 2.507 178.511 176.000 0.008 0.000 0.974 439 Q CA 1.743 57.621 55.803 0.124 0.000 0.840 439 Q CB -0.712 28.077 28.738 0.085 0.000 0.898 439 Q HN 0.194 nan 8.270 nan 0.000 0.430 440 A N 0.494 123.289 122.820 -0.042 0.000 1.978 440 A HA -0.216 4.103 4.320 -0.000 0.000 0.220 440 A C 2.279 179.820 177.584 -0.071 0.000 1.170 440 A CA 1.329 53.330 52.037 -0.060 0.000 0.636 440 A CB -0.957 17.991 19.000 -0.086 0.000 0.810 440 A HN 0.484 nan 8.150 nan 0.000 0.448 441 C N -1.112 118.120 119.300 -0.114 0.000 2.453 441 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 441 C C 2.864 177.784 174.990 -0.117 0.000 1.262 441 C CA 0.982 59.923 59.018 -0.127 0.000 1.718 441 C CB -1.183 26.432 27.740 -0.208 0.000 2.031 441 C HN 0.620 nan 8.230 nan 0.000 0.480 442 R N 0.860 121.286 120.500 -0.123 0.000 2.091 442 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 442 R C 2.124 178.406 176.300 -0.030 0.000 1.136 442 R CA 1.251 57.313 56.100 -0.064 0.000 0.959 442 R CB -0.430 29.872 30.300 0.004 0.000 0.856 442 R HN 0.663 nan 8.270 nan 0.000 0.437 443 E N 1.077 121.264 120.200 -0.022 0.000 2.023 443 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 443 E C 2.272 178.861 176.600 -0.018 0.000 1.003 443 E CA 1.161 57.553 56.400 -0.013 0.000 0.809 443 E CB -0.358 29.335 29.700 -0.012 0.000 0.755 443 E HN 0.327 nan 8.360 nan 0.000 0.449 444 L N 0.737 121.944 121.223 -0.025 0.000 1.990 444 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 444 L C 2.806 179.664 176.870 -0.020 0.000 1.072 444 L CA 1.081 55.908 54.840 -0.022 0.000 0.755 444 L CB -0.671 41.373 42.059 -0.024 0.000 0.889 444 L HN 0.122 nan 8.230 nan 0.000 0.432 445 L N -0.658 120.548 121.223 -0.028 0.000 1.990 445 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 445 L C 2.790 179.650 176.870 -0.016 0.000 1.072 445 L CA 1.573 56.398 54.840 -0.025 0.000 0.755 445 L CB -0.554 41.482 42.059 -0.038 0.000 0.889 445 L HN 0.352 nan 8.230 nan 0.000 0.432 446 Q N -0.342 119.449 119.800 -0.014 0.000 2.124 446 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 446 Q C 1.822 177.819 176.000 -0.006 0.000 0.977 446 Q CA 1.446 57.245 55.803 -0.007 0.000 0.850 446 Q CB -0.066 28.670 28.738 -0.002 0.000 0.901 446 Q HN 0.512 nan 8.270 nan 0.000 0.429 447 E N 0.440 120.635 120.200 -0.007 0.000 2.502 447 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 447 E C -0.448 176.148 176.600 -0.006 0.000 1.062 447 E CA -0.029 56.367 56.400 -0.006 0.000 0.867 447 E CB 0.169 29.865 29.700 -0.007 0.000 0.888 447 E HN 0.139 nan 8.360 nan 0.000 0.510 448 K N -1.343 119.052 120.400 -0.008 0.000 3.071 448 K HA -0.294 4.026 4.320 -0.000 0.000 0.265 448 K C 0.803 177.399 176.600 -0.007 0.000 1.060 448 K CA 0.221 56.504 56.287 -0.007 0.000 0.767 448 K CB -1.612 30.885 32.500 -0.005 0.000 1.241 448 K HN 0.240 nan 8.250 nan 0.000 0.486 449 A N 0.556 123.371 122.820 -0.009 0.000 1.872 449 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 449 A C 1.233 178.812 177.584 -0.008 0.000 1.187 449 A CA 0.780 52.812 52.037 -0.008 0.000 0.614 449 A CB -0.012 18.982 19.000 -0.010 0.000 0.826 449 A HN 0.309 nan 8.150 nan 0.000 0.442 450 L N -1.285 119.933 121.223 -0.009 0.000 2.464 450 L HA 0.438 4.778 4.340 -0.000 0.000 0.224 450 L C 0.472 177.337 176.870 -0.007 0.000 1.219 450 L CA -0.155 54.680 54.840 -0.008 0.000 0.831 450 L CB 0.215 42.268 42.059 -0.009 0.000 1.284 450 L HN 0.313 nan 8.230 nan 0.000 0.522 451 A N -0.634 122.182 122.820 -0.007 0.000 2.374 451 A HA 0.587 4.907 4.320 -0.000 0.000 0.305 451 A C 0.561 178.141 177.584 -0.006 0.000 1.053 451 A CA 0.021 52.055 52.037 -0.006 0.000 0.726 451 A CB 1.084 20.081 19.000 -0.006 0.000 1.229 451 A HN 0.890 nan 8.150 nan 0.000 0.431 452 G N 1.631 110.428 108.800 -0.005 0.000 3.652 452 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.270 452 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.270 452 G C 1.677 176.574 174.900 -0.004 0.000 0.886 452 G CA 3.623 48.721 45.100 -0.004 0.000 0.746 452 G HN 2.024 nan 8.290 nan 0.000 1.316 453 R N -0.518 119.980 120.500 -0.005 0.000 2.189 453 R HA -0.078 4.261 4.340 -0.000 0.000 0.252 453 R C 3.192 179.488 176.300 -0.007 0.000 1.134 453 R CA 3.912 60.009 56.100 -0.005 0.000 0.954 453 R CB -1.614 28.682 30.300 -0.006 0.000 0.890 453 R HN 1.862 nan 8.270 nan 0.000 0.443 454 A N 0.101 122.916 122.820 -0.008 0.000 1.873 454 A HA 0.302 4.622 4.320 -0.000 0.000 0.215 454 A C 2.891 180.470 177.584 -0.008 0.000 1.186 454 A CA 2.310 54.341 52.037 -0.010 0.000 0.616 454 A CB -1.016 17.978 19.000 -0.010 0.000 0.823 454 A HN 1.260 nan 8.150 nan 0.000 0.442 455 A N 0.619 123.435 122.820 -0.007 0.000 1.849 455 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 455 A C 2.546 180.128 177.584 -0.004 0.000 1.202 455 A CA 3.014 55.047 52.037 -0.007 0.000 0.629 455 A CB -1.354 17.642 19.000 -0.008 0.000 0.834 455 A HN 1.089 nan 8.150 nan 0.000 0.447 456 S N 0.376 116.075 115.700 -0.002 0.000 2.387 456 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 456 S C 2.045 176.651 174.600 0.010 0.000 1.035 456 S CA 1.680 59.881 58.200 0.003 0.000 1.014 456 S CB -0.829 62.373 63.200 0.003 0.000 0.836 456 S HN 1.019 nan 8.310 nan 0.000 0.466 457 A N 1.960 124.784 122.820 0.007 0.000 1.898 457 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 457 A C 2.252 179.853 177.584 0.029 0.000 1.181 457 A CA 1.224 53.269 52.037 0.012 0.000 0.620 457 A CB -0.819 18.177 19.000 -0.007 0.000 0.819 457 A HN 0.500 nan 8.150 nan 0.000 0.442 458 L N -0.564 120.668 121.223 0.016 0.000 1.970 458 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 458 L C 2.855 179.760 176.870 0.059 0.000 1.071 458 L CA 2.489 57.349 54.840 0.032 0.000 0.751 458 L CB -0.581 41.484 42.059 0.009 0.000 0.889 458 L HN 0.658 nan 8.230 nan 0.000 0.432 459 Q N -0.132 119.674 119.800 0.011 0.000 2.135 459 Q HA -0.300 4.040 4.340 -0.000 0.000 0.204 459 Q C 2.268 178.276 176.000 0.012 0.000 0.981 459 Q CA 1.825 57.619 55.803 -0.015 0.000 0.856 459 Q CB -0.104 28.624 28.738 -0.017 0.000 0.902 459 Q HN 0.375 nan 8.270 nan 0.000 0.425 460 R N -0.591 119.935 120.500 0.044 0.000 2.127 460 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 460 R C 2.005 178.366 176.300 0.102 0.000 1.134 460 R CA 1.402 57.537 56.100 0.058 0.000 0.975 460 R CB -0.316 30.019 30.300 0.058 0.000 0.865 460 R HN 0.342 nan 8.270 nan 0.000 0.447 461 F N 0.805 120.734 119.950 -0.036 0.000 2.074 461 F HA -0.069 4.458 4.527 -0.000 0.000 0.293 461 F C 1.982 177.774 175.800 -0.013 0.000 1.116 461 F CA 1.563 59.544 58.000 -0.031 0.000 1.212 461 F CB -0.418 38.527 39.000 -0.092 0.000 0.998 461 F HN -0.075 nan 8.300 nan 0.000 0.471 462 M N 0.307 119.763 119.600 -0.239 0.000 2.106 462 M HA -0.276 4.204 4.480 -0.000 0.000 0.259 462 M C 2.041 178.284 176.300 -0.095 0.000 1.068 462 M CA 2.205 57.294 55.300 -0.351 0.000 1.100 462 M CB -0.701 31.650 32.600 -0.416 0.000 1.351 462 M HN 0.247 nan 8.290 nan 0.000 0.404 463 E N 0.214 120.383 120.200 -0.051 0.000 2.110 463 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 463 E C 1.930 178.526 176.600 -0.007 0.000 0.988 463 E CA 1.084 57.484 56.400 0.001 0.000 0.804 463 E CB -0.271 29.435 29.700 0.010 0.000 0.745 463 E HN 0.352 nan 8.360 nan 0.000 0.458 464 L N 1.177 122.377 121.223 -0.038 0.000 1.989 464 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 464 L C 2.083 178.938 176.870 -0.025 0.000 1.071 464 L CA 1.624 56.457 54.840 -0.012 0.000 0.749 464 L CB -0.271 41.813 42.059 0.041 0.000 0.890 464 L HN 0.085 nan 8.230 nan 0.000 0.431 465 I N -0.401 120.103 120.570 -0.110 0.000 2.179 465 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 465 I C 2.115 178.238 176.117 0.010 0.000 1.088 465 I CA 1.358 62.631 61.300 -0.045 0.000 1.357 465 I CB -0.550 37.397 38.000 -0.087 0.000 1.051 465 I HN 0.311 nan 8.210 nan 0.000 0.409 466 D N 1.092 121.526 120.400 0.057 0.000 2.116 466 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 466 D C 2.228 178.539 176.300 0.018 0.000 0.998 466 D CA 1.732 55.760 54.000 0.046 0.000 0.836 466 D CB -0.289 40.560 40.800 0.081 0.000 0.951 466 D HN 0.374 nan 8.370 nan 0.000 0.449 467 A N 1.054 123.886 122.820 0.019 0.000 1.851 467 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 467 A C 2.472 180.061 177.584 0.008 0.000 1.195 467 A CA 1.205 53.250 52.037 0.013 0.000 0.622 467 A CB -1.061 17.947 19.000 0.014 0.000 0.831 467 A HN 0.240 nan 8.150 nan 0.000 0.444 468 L N -0.876 120.356 121.223 0.014 0.000 2.051 468 L HA -0.310 4.030 4.340 -0.000 0.000 0.214 468 L C 3.119 179.991 176.870 0.003 0.000 1.076 468 L CA 1.351 56.200 54.840 0.015 0.000 0.758 468 L CB -0.557 41.527 42.059 0.042 0.000 0.890 468 L HN 0.518 nan 8.230 nan 0.000 0.433 469 A N -1.041 121.777 122.820 -0.004 0.000 1.908 469 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 469 A C 2.181 179.755 177.584 -0.017 0.000 1.181 469 A CA 1.696 53.722 52.037 -0.019 0.000 0.627 469 A CB -0.413 18.565 19.000 -0.037 0.000 0.818 469 A HN 0.499 nan 8.150 nan 0.000 0.445 470 Q N -0.716 119.078 119.800 -0.011 0.000 1.969 470 Q HA -0.144 4.195 4.340 -0.000 0.000 0.198 470 Q C 1.950 177.944 176.000 -0.011 0.000 0.978 470 Q CA 1.371 57.168 55.803 -0.010 0.000 0.830 470 Q CB -0.300 28.436 28.738 -0.004 0.000 0.896 470 Q HN 0.788 nan 8.270 nan 0.000 0.431 471 E N -0.193 120.002 120.200 -0.008 0.000 2.339 471 E HA -0.178 4.172 4.350 -0.000 0.000 0.201 471 E C 1.358 177.946 176.600 -0.018 0.000 1.015 471 E CA 1.216 57.609 56.400 -0.011 0.000 0.841 471 E CB -0.123 29.572 29.700 -0.009 0.000 0.754 471 E HN 0.160 nan 8.360 nan 0.000 0.508 472 T N -1.139 113.403 114.554 -0.020 0.000 3.040 472 T HA 0.373 4.723 4.350 -0.000 0.000 0.266 472 T C 1.508 176.191 174.700 -0.029 0.000 1.005 472 T CA 0.474 62.557 62.100 -0.028 0.000 0.906 472 T CB 0.173 69.025 68.868 -0.028 0.000 1.082 472 T HN 0.204 nan 8.240 nan 0.000 0.531 473 A N 1.815 124.621 122.820 -0.023 0.000 1.881 473 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 473 A C 1.637 179.208 177.584 -0.021 0.000 1.215 473 A CA 2.033 54.058 52.037 -0.021 0.000 0.648 473 A CB -0.616 18.374 19.000 -0.017 0.000 0.832 473 A HN 0.548 nan 8.150 nan 0.000 0.455 474 D N -0.209 120.179 120.400 -0.020 0.000 2.413 474 D HA 0.210 4.850 4.640 -0.000 0.000 0.237 474 D C 0.071 176.355 176.300 -0.028 0.000 1.171 474 D CA 0.267 54.256 54.000 -0.019 0.000 0.839 474 D CB -0.073 40.718 40.800 -0.015 0.000 0.950 474 D HN 0.484 nan 8.370 nan 0.000 0.499 475 M N 0.505 120.081 119.600 -0.039 0.000 2.478 475 M HA 0.345 4.825 4.480 -0.000 0.000 0.327 475 M C -2.340 173.918 176.300 -0.070 0.000 1.187 475 M CA -1.816 53.445 55.300 -0.064 0.000 1.022 475 M CB 1.481 34.030 32.600 -0.085 0.000 1.629 475 M HN -0.368 nan 8.290 nan 0.000 0.461 476 P HA 0.009 nan 4.420 nan 0.000 0.269 476 P C 0.433 177.669 177.300 -0.106 0.000 1.215 476 P CA -0.335 62.724 63.100 -0.069 0.000 0.780 476 P CB 0.521 32.162 31.700 -0.098 0.000 0.898 477 L N 3.404 124.629 121.223 0.004 0.000 1.963 477 L HA -0.268 4.072 4.340 -0.000 0.000 0.220 477 L C 2.535 179.356 176.870 -0.081 0.000 1.076 477 L CA 2.120 56.940 54.840 -0.035 0.000 0.772 477 L CB -1.376 40.676 42.059 -0.012 0.000 0.892 477 L HN 0.595 nan 8.230 nan 0.000 0.435 478 H N -1.626 117.376 119.070 -0.113 0.000 2.319 478 H HA -0.122 4.434 4.556 -0.000 0.000 0.297 478 H C 2.124 177.410 175.328 -0.071 0.000 1.097 478 H CA 2.089 58.072 56.048 -0.108 0.000 1.285 478 H CB -1.475 28.240 29.762 -0.078 0.000 1.368 478 H HN 0.307 nan 8.280 nan 0.000 0.495 479 V N 1.780 121.228 119.914 -0.778 0.000 2.287 479 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 479 V C 3.066 179.028 176.094 -0.221 0.000 1.053 479 V CA 2.348 64.367 62.300 -0.469 0.000 1.027 479 V CB -0.911 30.648 31.823 -0.438 0.000 0.646 479 V HN 0.458 nan 8.190 nan 0.000 0.447 480 Q N -0.332 119.357 119.800 -0.185 0.000 2.050 480 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 480 Q C 2.270 178.222 176.000 -0.080 0.000 0.980 480 Q CA 2.420 58.160 55.803 -0.106 0.000 0.840 480 Q CB -0.278 28.410 28.738 -0.083 0.000 0.898 480 Q HN 0.641 nan 8.270 nan 0.000 0.424 481 T N 1.331 115.832 114.554 -0.089 0.000 2.684 481 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 481 T C 1.431 176.105 174.700 -0.042 0.000 1.036 481 T CA 1.481 63.544 62.100 -0.061 0.000 1.148 481 T CB -0.534 68.281 68.868 -0.088 0.000 0.863 481 T HN 0.477 nan 8.240 nan 0.000 0.436 482 D N 0.451 120.823 120.400 -0.046 0.000 2.144 482 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 482 D C 2.368 178.644 176.300 -0.040 0.000 0.984 482 D CA 1.007 54.988 54.000 -0.032 0.000 0.834 482 D CB 0.016 40.800 40.800 -0.025 0.000 0.955 482 D HN 0.124 nan 8.370 nan 0.000 0.465 483 R N 0.477 120.946 120.500 -0.051 0.000 2.066 483 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 483 R C 2.343 178.616 176.300 -0.044 0.000 1.131 483 R CA 1.178 57.251 56.100 -0.045 0.000 0.955 483 R CB -0.815 29.456 30.300 -0.048 0.000 0.851 483 R HN 0.035 nan 8.270 nan 0.000 0.432 484 V N 0.783 120.672 119.914 -0.041 0.000 2.515 484 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 484 V C 2.248 178.276 176.094 -0.111 0.000 1.058 484 V CA 1.696 63.968 62.300 -0.047 0.000 1.064 484 V CB -0.387 31.439 31.823 0.006 0.000 0.675 484 V HN 0.313 nan 8.190 nan 0.000 0.461 485 I N -0.535 119.987 120.570 -0.080 0.000 2.252 485 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 485 I C 2.491 178.552 176.117 -0.094 0.000 1.102 485 I CA 1.534 62.779 61.300 -0.092 0.000 1.385 485 I CB -0.276 37.701 38.000 -0.039 0.000 1.064 485 I HN 0.279 nan 8.210 nan 0.000 0.414 486 K N 0.806 121.166 120.400 -0.065 0.000 1.967 486 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 486 K C 1.380 177.942 176.600 -0.064 0.000 1.044 486 K CA 1.623 57.880 56.287 -0.051 0.000 0.942 486 K CB -0.191 32.289 32.500 -0.034 0.000 0.726 486 K HN 0.088 nan 8.250 nan 0.000 0.440 487 D N 0.116 120.479 120.400 -0.061 0.000 2.407 487 D HA -0.082 4.558 4.640 -0.000 0.000 0.234 487 D C 1.389 177.647 176.300 -0.071 0.000 1.029 487 D CA 0.712 54.684 54.000 -0.048 0.000 0.937 487 D CB -0.001 40.783 40.800 -0.025 0.000 0.882 487 D HN 0.220 nan 8.370 nan 0.000 0.531 488 S N -2.259 113.340 115.700 -0.169 0.000 2.475 488 S HA 0.311 4.781 4.470 -0.000 0.000 0.224 488 S C 1.849 176.337 174.600 -0.187 0.000 1.042 488 S CA 0.550 58.556 58.200 -0.323 0.000 0.935 488 S CB 0.877 63.532 63.200 -0.909 0.000 0.801 488 S HN 0.254 nan 8.310 nan 0.000 0.509 489 G N 1.256 109.977 108.800 -0.132 0.000 2.278 489 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.210 489 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.210 489 G C 0.744 175.606 174.900 -0.065 0.000 1.000 489 G CA 0.134 45.192 45.100 -0.070 0.000 0.635 489 G HN 0.400 nan 8.290 nan 0.000 0.495 490 L N 0.302 121.471 121.223 -0.089 0.000 2.013 490 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 490 L C 2.883 179.826 176.870 0.122 0.000 1.073 490 L CA 2.420 57.281 54.840 0.034 0.000 0.753 490 L CB -0.435 41.649 42.059 0.041 0.000 0.890 490 L HN 0.429 nan 8.230 nan 0.000 0.432 491 R N -0.405 120.124 120.500 0.049 0.000 2.070 491 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 491 R C 2.305 178.640 176.300 0.058 0.000 1.138 491 R CA 2.219 58.357 56.100 0.063 0.000 0.936 491 R CB -0.405 29.906 30.300 0.018 0.000 0.839 491 R HN 0.215 nan 8.270 nan 0.000 0.429 492 T N 1.435 115.998 114.554 0.014 0.000 2.635 492 T HA -0.272 4.078 4.350 -0.000 0.000 0.267 492 T C 1.726 176.416 174.700 -0.016 0.000 1.040 492 T CA 1.881 63.980 62.100 -0.002 0.000 1.156 492 T CB -0.273 68.585 68.868 -0.018 0.000 0.863 492 T HN 0.325 nan 8.240 nan 0.000 0.430 493 M N -0.168 119.399 119.600 -0.055 0.000 2.110 493 M HA -0.211 4.269 4.480 -0.000 0.000 0.257 493 M C 1.974 178.167 176.300 -0.179 0.000 1.071 493 M CA 2.012 57.218 55.300 -0.156 0.000 1.096 493 M CB -0.339 32.098 32.600 -0.273 0.000 1.300 493 M HN 0.347 nan 8.290 nan 0.000 0.411 494 Y N -0.218 120.072 120.300 -0.018 0.000 2.373 494 Y HA -0.155 4.395 4.550 -0.000 0.000 0.293 494 Y C 2.256 178.149 175.900 -0.012 0.000 1.129 494 Y CA 1.410 59.501 58.100 -0.014 0.000 1.226 494 Y CB -0.371 38.080 38.460 -0.017 0.000 1.000 494 Y HN 0.415 nan 8.280 nan 0.000 0.549 495 E N 0.774 121.045 120.200 0.118 0.000 2.331 495 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 495 E C 1.291 177.913 176.600 0.037 0.000 1.008 495 E CA 1.158 57.598 56.400 0.066 0.000 0.843 495 E CB 0.030 29.755 29.700 0.041 0.000 0.761 495 E HN 0.687 nan 8.360 nan 0.000 0.507 496 Q N -0.073 119.738 119.800 0.019 0.000 2.155 496 Q HA 0.173 4.513 4.340 -0.000 0.000 0.220 496 Q C -0.334 175.666 176.000 -0.001 0.000 0.819 496 Q CA -0.258 55.547 55.803 0.002 0.000 1.032 496 Q CB 0.412 29.141 28.738 -0.015 0.000 1.151 496 Q HN 0.003 nan 8.270 nan 0.000 0.487 497 E N 2.199 122.411 120.200 0.020 0.000 2.194 497 E HA 0.166 4.516 4.350 -0.000 0.000 0.284 497 E C -0.816 175.802 176.600 0.031 0.000 1.035 497 E CA -0.325 56.089 56.400 0.023 0.000 0.836 497 E CB 0.769 30.510 29.700 0.068 0.000 1.070 497 E HN 0.164 nan 8.360 nan 0.000 0.401 498 K N 2.460 122.871 120.400 0.018 0.000 2.107 498 K HA 0.570 4.890 4.320 -0.000 0.000 0.251 498 K C 0.388 177.000 176.600 0.020 0.000 1.012 498 K CA 0.042 56.339 56.287 0.016 0.000 0.920 498 K CB 1.218 33.724 32.500 0.008 0.000 1.033 498 K HN 0.815 nan 8.250 nan 0.000 0.478 499 G N 0.962 109.773 108.800 0.017 0.000 2.548 499 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.208 499 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.208 499 G C 0.212 175.124 174.900 0.019 0.000 1.308 499 G CA -0.064 45.046 45.100 0.017 0.000 0.924 499 G HN 0.667 nan 8.290 nan 0.000 0.540 500 E N 0.268 120.479 120.200 0.018 0.000 2.057 500 E HA 0.140 4.490 4.350 -0.000 0.000 0.190 500 E C 2.866 179.478 176.600 0.020 0.000 0.969 500 E CA 1.328 57.737 56.400 0.016 0.000 0.812 500 E CB -0.373 29.335 29.700 0.013 0.000 0.777 500 E HN 0.873 nan 8.360 nan 0.000 0.455 501 K N 1.549 121.962 120.400 0.022 0.000 2.163 501 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 501 K C 2.204 178.828 176.600 0.039 0.000 1.048 501 K CA 2.051 58.353 56.287 0.026 0.000 0.928 501 K CB -1.985 30.535 32.500 0.033 0.000 0.716 501 K HN 0.316 nan 8.250 nan 0.000 0.459 502 G N -0.425 108.406 108.800 0.051 0.000 2.453 502 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 502 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 502 G C 1.794 176.726 174.900 0.055 0.000 1.201 502 G CA 1.429 46.574 45.100 0.075 0.000 0.784 502 G HN 0.554 nan 8.290 nan 0.000 0.545 503 Q N -0.053 119.767 119.800 0.033 0.000 2.181 503 Q HA -0.114 4.226 4.340 -0.000 0.000 0.205 503 Q C 2.978 178.983 176.000 0.007 0.000 0.980 503 Q CA 2.234 58.050 55.803 0.021 0.000 0.862 503 Q CB -0.958 27.789 28.738 0.016 0.000 0.905 503 Q HN 0.668 nan 8.270 nan 0.000 0.429 504 T N 0.450 115.005 114.554 0.002 0.000 2.614 504 T HA -0.112 4.238 4.350 -0.000 0.000 0.263 504 T C 1.852 176.524 174.700 -0.047 0.000 1.055 504 T CA 1.525 63.616 62.100 -0.014 0.000 1.162 504 T CB -0.366 68.494 68.868 -0.014 0.000 0.863 504 T HN 0.511 nan 8.240 nan 0.000 0.414 505 R N 0.282 120.739 120.500 -0.073 0.000 2.174 505 R HA -0.119 4.221 4.340 -0.000 0.000 0.253 505 R C 2.137 178.312 176.300 -0.209 0.000 1.165 505 R CA 1.278 57.257 56.100 -0.202 0.000 0.984 505 R CB -0.549 29.605 30.300 -0.244 0.000 0.873 505 R HN 0.353 nan 8.270 nan 0.000 0.456 506 I N 0.480 121.002 120.570 -0.079 0.000 2.584 506 I HA -0.114 4.056 4.170 -0.000 0.000 0.255 506 I C 2.937 179.036 176.117 -0.031 0.000 1.145 506 I CA 1.640 62.914 61.300 -0.044 0.000 1.462 506 I CB -0.526 37.481 38.000 0.013 0.000 1.102 506 I HN 0.260 nan 8.210 nan 0.000 0.433 507 E N 0.746 120.934 120.200 -0.020 0.000 2.072 507 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 507 E C 1.888 178.504 176.600 0.027 0.000 0.985 507 E CA 1.761 58.163 56.400 0.004 0.000 0.801 507 E CB -1.224 28.480 29.700 0.007 0.000 0.750 507 E HN 0.592 nan 8.360 nan 0.000 0.452 508 N N -0.013 118.691 118.700 0.007 0.000 2.223 508 N HA 0.006 4.746 4.740 -0.000 0.000 0.185 508 N C 1.710 177.247 175.510 0.046 0.000 1.016 508 N CA 0.980 54.068 53.050 0.065 0.000 0.863 508 N CB -0.091 38.328 38.487 -0.113 0.000 0.983 508 N HN 0.386 nan 8.380 nan 0.000 0.429 509 L N 0.392 121.587 121.223 -0.047 0.000 2.291 509 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 509 L C 1.763 178.653 176.870 0.034 0.000 1.120 509 L CA 0.951 55.770 54.840 -0.037 0.000 0.799 509 L CB -0.107 41.902 42.059 -0.084 0.000 0.925 509 L HN 0.257 nan 8.230 nan 0.000 0.446 510 E N -0.309 119.915 120.200 0.039 0.000 2.086 510 E HA -0.212 4.138 4.350 -0.000 0.000 0.190 510 E C 1.847 178.486 176.600 0.065 0.000 0.975 510 E CA 0.564 56.989 56.400 0.042 0.000 0.813 510 E CB 0.067 29.782 29.700 0.025 0.000 0.768 510 E HN 0.373 nan 8.360 nan 0.000 0.457 511 E N 0.790 121.048 120.200 0.097 0.000 2.333 511 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 511 E C 1.950 178.628 176.600 0.130 0.000 1.007 511 E CA 0.312 56.756 56.400 0.072 0.000 0.845 511 E CB 0.148 29.880 29.700 0.053 0.000 0.766 511 E HN 0.091 nan 8.360 nan 0.000 0.507 512 L N -0.116 121.270 121.223 0.272 0.000 2.131 512 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 512 L C 2.068 179.019 176.870 0.134 0.000 1.087 512 L CA 1.115 56.148 54.840 0.321 0.000 0.767 512 L CB -0.216 42.018 42.059 0.292 0.000 0.917 512 L HN -0.021 nan 8.230 nan 0.000 0.441 513 V N -0.665 119.294 119.914 0.075 0.000 2.307 513 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 513 V C 2.457 178.563 176.094 0.020 0.000 1.045 513 V CA 2.170 64.490 62.300 0.033 0.000 1.024 513 V CB -1.274 30.573 31.823 0.041 0.000 0.651 513 V HN 0.510 nan 8.190 nan 0.000 0.449 514 T N 0.885 115.450 114.554 0.018 0.000 2.635 514 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 514 T C 2.071 176.764 174.700 -0.012 0.000 1.040 514 T CA 1.935 64.028 62.100 -0.012 0.000 1.156 514 T CB -0.583 68.275 68.868 -0.016 0.000 0.863 514 T HN 0.578 nan 8.240 nan 0.000 0.430 515 A N 0.898 123.730 122.820 0.020 0.000 2.024 515 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 515 A C 2.491 180.118 177.584 0.072 0.000 1.164 515 A CA 2.020 54.110 52.037 0.088 0.000 0.643 515 A CB -1.074 18.024 19.000 0.164 0.000 0.806 515 A HN 0.496 nan 8.150 nan 0.000 0.451 516 T N -1.362 113.127 114.554 -0.108 0.000 2.942 516 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 516 T C 2.057 176.693 174.700 -0.107 0.000 1.062 516 T CA 1.121 62.998 62.100 -0.372 0.000 1.139 516 T CB -0.113 68.483 68.868 -0.454 0.000 0.883 516 T HN 0.528 nan 8.240 nan 0.000 0.468 517 R N 0.969 121.424 120.500 -0.075 0.000 2.061 517 R HA -0.020 4.320 4.340 -0.000 0.000 0.230 517 R C 2.365 178.610 176.300 -0.092 0.000 1.140 517 R CA 1.395 57.371 56.100 -0.206 0.000 0.940 517 R CB -0.145 29.942 30.300 -0.354 0.000 0.839 517 R HN 0.349 nan 8.270 nan 0.000 0.429 518 Q N -0.416 119.362 119.800 -0.036 0.000 2.508 518 Q HA -0.110 4.230 4.340 -0.000 0.000 0.214 518 Q C -0.234 175.818 176.000 0.087 0.000 0.979 518 Q CA 0.161 55.969 55.803 0.008 0.000 0.911 518 Q CB -0.087 28.657 28.738 0.011 0.000 0.969 518 Q HN 0.129 nan 8.270 nan 0.000 0.504 519 F N 1.489 121.416 119.950 -0.037 0.000 2.590 519 F HA 0.083 4.610 4.527 -0.000 0.000 0.389 519 F C 0.483 176.270 175.800 -0.021 0.000 1.049 519 F CA -0.326 57.669 58.000 -0.008 0.000 1.199 519 F CB 0.079 39.109 39.000 0.050 0.000 1.058 519 F HN -0.082 nan 8.300 nan 0.000 0.556 520 S N 6.195 121.583 115.700 -0.520 0.000 2.400 520 S HA 0.605 5.075 4.470 -0.000 0.000 0.295 520 S C -0.269 173.924 174.600 -0.678 0.000 1.113 520 S CA 0.177 58.103 58.200 -0.456 0.000 1.064 520 S CB -0.675 62.359 63.200 -0.277 0.000 0.990 520 S HN 0.998 nan 8.310 nan 0.000 0.502 526 E N -1.333 118.882 120.200 0.025 0.000 2.149 526 E HA 0.258 4.608 4.350 -0.000 0.000 0.191 526 E C 0.618 177.221 176.600 0.005 0.000 1.384 526 E CA 2.829 59.240 56.400 0.018 0.000 0.698 526 E CB -2.616 27.103 29.700 0.032 0.000 1.086 526 E HN 2.393 nan 8.360 nan 0.000 0.338 527 D N -2.335 118.057 120.400 -0.014 0.000 4.009 527 D HA 0.283 4.923 4.640 -0.000 0.000 0.329 527 D C 1.313 177.590 176.300 -0.039 0.000 0.558 527 D CA 0.553 54.525 54.000 -0.048 0.000 0.776 527 D CB -1.293 39.483 40.800 -0.040 0.000 1.651 527 D HN 1.221 nan 8.370 nan 0.000 0.171 528 L N -0.249 120.971 121.223 -0.005 0.000 2.292 528 L HA 0.595 4.935 4.340 -0.000 0.000 0.196 528 L C 0.969 177.859 176.870 0.032 0.000 1.246 528 L CA 0.776 55.631 54.840 0.025 0.000 0.864 528 L CB 0.109 42.189 42.059 0.036 0.000 1.044 528 L HN 0.361 nan 8.230 nan 0.000 0.504 529 M N 1.419 121.039 119.600 0.033 0.000 3.797 529 M HA -0.134 4.346 4.480 -0.000 0.000 0.160 529 M C -1.627 174.714 176.300 0.068 0.000 1.488 529 M CA 0.325 55.644 55.300 0.032 0.000 1.019 529 M CB -1.119 31.482 32.600 0.002 0.000 1.326 529 M HN 0.318 nan 8.290 nan 0.000 0.403 530 P HA -0.291 nan 4.420 nan 0.000 0.230 530 P C 1.120 178.520 177.300 0.166 0.000 1.153 530 P CA 1.884 65.103 63.100 0.199 0.000 0.891 530 P CB -0.020 31.779 31.700 0.166 0.000 0.773 531 L N -0.100 121.172 121.223 0.081 0.000 1.973 531 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 531 L C 2.633 179.540 176.870 0.061 0.000 1.073 531 L CA 2.045 56.919 54.840 0.056 0.000 0.746 531 L CB -1.704 40.367 42.059 0.018 0.000 0.891 531 L HN -0.185 nan 8.230 nan 0.000 0.433 532 Q N -0.056 119.756 119.800 0.021 0.000 2.234 532 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 532 Q C 2.150 178.159 176.000 0.015 0.000 0.980 532 Q CA 1.712 57.503 55.803 -0.020 0.000 0.869 532 Q CB -0.678 28.017 28.738 -0.073 0.000 0.912 532 Q HN 0.666 nan 8.270 nan 0.000 0.436 533 A N -0.302 122.577 122.820 0.099 0.000 1.873 533 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 533 A C 1.881 179.581 177.584 0.193 0.000 1.186 533 A CA 1.141 53.305 52.037 0.211 0.000 0.616 533 A CB -0.703 18.504 19.000 0.346 0.000 0.823 533 A HN 0.449 nan 8.150 nan 0.000 0.442 534 F N 0.314 120.154 119.950 -0.183 0.000 2.259 534 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 534 F C 1.814 177.399 175.800 -0.358 0.000 1.088 534 F CA 1.050 58.594 58.000 -0.761 0.000 1.358 534 F CB -0.140 38.277 39.000 -0.972 0.000 1.040 534 F HN 0.116 nan 8.300 nan 0.000 0.505 535 L N -0.108 121.018 121.223 -0.161 0.000 1.994 535 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 535 L C 2.850 179.561 176.870 -0.265 0.000 1.071 535 L CA 1.758 56.493 54.840 -0.175 0.000 0.745 535 L CB -1.022 41.006 42.059 -0.052 0.000 0.892 535 L HN 0.320 nan 8.230 nan 0.000 0.431 536 S N -1.381 114.201 115.700 -0.198 0.000 2.402 536 S HA -0.272 4.197 4.470 -0.000 0.000 0.229 536 S C 2.119 176.540 174.600 -0.299 0.000 1.021 536 S CA 1.100 59.156 58.200 -0.241 0.000 0.974 536 S CB -0.703 62.360 63.200 -0.228 0.000 0.800 536 S HN 0.555 nan 8.310 nan 0.000 0.484 537 H N 1.945 120.796 119.070 -0.366 0.000 2.421 537 H HA 0.112 4.668 4.556 -0.000 0.000 0.298 537 H C 2.041 177.011 175.328 -0.598 0.000 1.087 537 H CA 1.565 57.395 56.048 -0.363 0.000 1.330 537 H CB -0.636 28.990 29.762 -0.227 0.000 1.388 537 H HN 0.538 nan 8.280 nan 0.000 0.526 538 A N 1.072 123.436 122.820 -0.761 0.000 1.929 538 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 538 A C 2.698 179.932 177.584 -0.582 0.000 1.176 538 A CA 1.292 52.672 52.037 -1.095 0.000 0.628 538 A CB -0.896 17.503 19.000 -1.002 0.000 0.816 538 A HN 0.538 nan 8.150 nan 0.000 0.444 539 A N -0.638 121.974 122.820 -0.346 0.000 2.067 539 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 539 A C 1.914 179.493 177.584 -0.009 0.000 1.158 539 A CA 1.227 53.184 52.037 -0.133 0.000 0.661 539 A CB -0.370 18.541 19.000 -0.147 0.000 0.801 539 A HN 0.455 nan 8.150 nan 0.000 0.452 540 L N -1.183 119.929 121.223 -0.185 0.000 2.590 540 L HA 0.164 4.503 4.340 -0.000 0.000 0.227 540 L C 0.725 177.452 176.870 -0.238 0.000 1.099 540 L CA -0.019 54.726 54.840 -0.158 0.000 0.872 540 L CB -0.021 41.920 42.059 -0.197 0.000 1.088 540 L HN 0.252 nan 8.230 nan 0.000 0.479 541 E N 0.504 120.485 120.200 -0.364 0.000 2.568 541 E HA 0.774 5.124 4.350 -0.000 0.000 0.242 541 E C -0.631 176.017 176.600 0.080 0.000 0.945 541 E CA -0.602 55.648 56.400 -0.250 0.000 0.918 541 E CB 1.817 31.189 29.700 -0.547 0.000 1.386 541 E HN -0.092 nan 8.360 nan 0.000 0.426 542 A N -0.097 122.928 122.820 0.342 0.000 1.042 542 A HA 0.420 4.740 4.320 -0.000 0.000 0.198 542 A C 0.025 177.753 177.584 0.240 0.000 0.907 542 A CA -0.064 52.259 52.037 0.477 0.000 0.561 542 A CB -0.652 18.523 19.000 0.291 0.000 0.427 542 A HN 0.538 nan 8.150 nan 0.000 0.322 543 G N 0.779 109.675 108.800 0.160 0.000 2.514 543 G HA2 0.891 4.851 3.960 -0.000 0.000 0.245 543 G HA3 0.891 4.851 3.960 -0.000 0.000 0.245 543 G C 0.235 175.173 174.900 0.063 0.000 1.488 543 G CA 1.393 46.525 45.100 0.055 0.000 1.063 543 G HN 2.001 nan 8.290 nan 0.000 0.557 544 E N -2.977 117.238 120.200 0.025 0.000 2.421 544 E HA 0.638 4.988 4.350 -0.000 0.000 0.265 544 E C 0.850 177.452 176.600 0.003 0.000 0.990 544 E CA 0.108 56.517 56.400 0.014 0.000 0.874 544 E CB 0.020 29.705 29.700 -0.026 0.000 1.646 544 E HN 1.050 nan 8.360 nan 0.000 0.451 545 G N -1.678 107.109 108.800 -0.023 0.000 2.713 545 G HA2 0.470 4.430 3.960 -0.000 0.000 0.170 545 G HA3 0.470 4.430 3.960 -0.000 0.000 0.170 545 G C 0.809 175.688 174.900 -0.034 0.000 1.724 545 G CA 3.313 48.400 45.100 -0.021 0.000 0.892 545 G HN 1.719 nan 8.290 nan 0.000 0.376 553 A N -0.521 122.333 122.820 0.057 0.000 2.829 553 A HA 0.807 5.127 4.320 -0.000 0.000 0.248 553 A C -0.202 177.429 177.584 0.079 0.000 1.654 553 A CA -0.311 51.752 52.037 0.043 0.000 0.860 553 A CB 0.933 19.949 19.000 0.026 0.000 1.696 553 A HN 0.177 nan 8.150 nan 0.000 0.576 554 V N 1.055 121.025 119.914 0.093 0.000 2.501 554 V HA 0.198 4.318 4.120 -0.000 0.000 0.277 554 V C -0.814 175.345 176.094 0.109 0.000 1.004 554 V CA -0.536 61.816 62.300 0.088 0.000 0.862 554 V CB 0.897 32.776 31.823 0.092 0.000 1.035 554 V HN 0.881 nan 8.190 nan 0.000 0.448 555 Q N 2.272 122.102 119.800 0.052 0.000 2.616 555 Q HA 0.592 4.932 4.340 -0.000 0.000 0.269 555 Q C -0.130 175.892 176.000 0.036 0.000 1.148 555 Q CA 1.032 56.868 55.803 0.054 0.000 1.003 555 Q CB 0.377 29.004 28.738 -0.185 0.000 1.322 555 Q HN 1.162 nan 8.270 nan 0.000 0.518 556 L N 0.209 121.489 121.223 0.096 0.000 2.830 556 L HA 0.726 5.066 4.340 -0.000 0.000 0.259 556 L C -0.788 176.109 176.870 0.046 0.000 0.926 556 L CA -0.671 54.241 54.840 0.119 0.000 0.993 556 L CB 0.734 42.990 42.059 0.328 0.000 1.589 556 L HN 0.833 nan 8.230 nan 0.000 0.460 557 M N 1.284 120.574 119.600 -0.516 0.000 3.196 557 M HA 0.759 5.239 4.480 -0.000 0.000 0.279 557 M C -0.089 175.610 176.300 -1.003 0.000 1.173 557 M CA 0.159 55.157 55.300 -0.503 0.000 0.820 557 M CB 1.405 33.919 32.600 -0.142 0.000 1.621 557 M HN 1.911 nan 8.290 nan 0.000 0.521 558 T N -0.639 113.721 114.554 -0.324 0.000 2.754 558 T HA 0.577 4.927 4.350 -0.000 0.000 0.286 558 T C 1.487 176.172 174.700 -0.026 0.000 0.997 558 T CA 0.298 62.340 62.100 -0.097 0.000 0.982 558 T CB 0.743 69.684 68.868 0.121 0.000 1.027 558 T HN 1.235 nan 8.240 nan 0.000 0.529 559 L N 1.015 122.311 121.223 0.122 0.000 1.955 559 L HA 0.001 4.341 4.340 -0.000 0.000 0.213 559 L C 2.830 179.730 176.870 0.051 0.000 1.072 559 L CA 2.888 57.754 54.840 0.044 0.000 0.755 559 L CB -2.766 39.270 42.059 -0.038 0.000 0.888 559 L HN 1.059 nan 8.230 nan 0.000 0.432 560 H N 1.333 120.394 119.070 -0.015 0.000 2.289 560 H HA -0.143 4.413 4.556 -0.000 0.000 0.296 560 H C 2.451 177.815 175.328 0.059 0.000 1.091 560 H CA 1.687 57.735 56.048 -0.001 0.000 1.274 560 H CB -1.201 28.598 29.762 0.062 0.000 1.364 560 H HN 0.730 nan 8.280 nan 0.000 0.490 561 S N -0.216 115.624 115.700 0.234 0.000 2.693 561 S HA 0.123 4.593 4.470 -0.000 0.000 0.243 561 S C 1.693 176.327 174.600 0.057 0.000 0.973 561 S CA 0.497 58.785 58.200 0.147 0.000 0.969 561 S CB -0.428 62.854 63.200 0.136 0.000 0.771 561 S HN 0.597 nan 8.310 nan 0.000 0.542 562 A N 0.603 123.448 122.820 0.040 0.000 2.312 562 A HA 0.406 4.726 4.320 -0.000 0.000 0.215 562 A C 0.739 178.307 177.584 -0.026 0.000 1.256 562 A CA -0.332 51.708 52.037 0.005 0.000 0.966 562 A CB -0.052 18.956 19.000 0.014 0.000 1.053 562 A HN 0.460 nan 8.150 nan 0.000 0.510 563 K N 0.829 121.218 120.400 -0.017 0.000 2.405 563 K HA 0.283 4.603 4.320 -0.000 0.000 0.276 563 K C 0.961 177.535 176.600 -0.044 0.000 1.099 563 K CA 1.307 57.566 56.287 -0.046 0.000 1.120 563 K CB -0.555 31.934 32.500 -0.019 0.000 0.877 563 K HN 0.922 nan 8.250 nan 0.000 0.472 564 G N 2.843 111.588 108.800 -0.092 0.000 2.192 564 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.193 564 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.193 564 G C -0.345 174.462 174.900 -0.154 0.000 0.999 564 G CA -0.012 45.029 45.100 -0.097 0.000 0.659 564 G HN 0.466 nan 8.290 nan 0.000 0.503 565 L N 0.011 121.107 121.223 -0.212 0.000 2.558 565 L HA 0.986 5.326 4.340 -0.000 0.000 0.260 565 L C 0.294 176.859 176.870 -0.507 0.000 1.130 565 L CA -0.640 53.969 54.840 -0.385 0.000 1.049 565 L CB 1.145 42.924 42.059 -0.467 0.000 1.758 565 L HN 0.498 nan 8.230 nan 0.000 0.555 566 E N -0.923 118.708 120.200 -0.947 0.000 2.857 566 E HA 0.511 4.861 4.350 -0.000 0.000 0.309 566 E C -1.897 174.132 176.600 -0.951 0.000 1.113 566 E CA -0.706 55.256 56.400 -0.730 0.000 0.906 566 E CB 0.534 30.022 29.700 -0.353 0.000 1.191 566 E HN 0.202 nan 8.360 nan 0.000 0.449 567 F N 0.187 120.078 119.950 -0.098 0.000 2.619 567 F HA 0.494 5.021 4.527 -0.000 0.000 0.308 567 F C -2.168 173.549 175.800 -0.138 0.000 1.097 567 F CA -2.502 55.438 58.000 -0.100 0.000 0.953 567 F CB 1.297 40.234 39.000 -0.105 0.000 1.287 567 F HN 0.239 nan 8.300 nan 0.000 0.446 568 P HA -0.162 nan 4.420 nan 0.000 0.213 568 P C -0.188 176.988 177.300 -0.207 0.000 1.176 568 P CA 1.761 64.811 63.100 -0.083 0.000 0.919 568 P CB 0.190 31.833 31.700 -0.096 0.000 0.791 569 Q N -1.164 118.422 119.800 -0.357 0.000 2.230 569 Q HA 0.466 4.806 4.340 -0.000 0.000 0.248 569 Q C -0.966 174.787 176.000 -0.413 0.000 0.915 569 Q CA -0.439 55.052 55.803 -0.520 0.000 0.900 569 Q CB 1.657 29.982 28.738 -0.689 0.000 1.229 569 Q HN -0.093 nan 8.270 nan 0.000 0.439 570 V N 2.460 122.034 119.914 -0.567 0.000 2.674 570 V HA 0.407 4.527 4.120 -0.000 0.000 0.279 570 V C -1.939 173.940 176.094 -0.358 0.000 1.051 570 V CA -0.543 61.566 62.300 -0.318 0.000 0.912 570 V CB 0.502 32.293 31.823 -0.054 0.000 1.044 570 V HN 0.712 nan 8.190 nan 0.000 0.464 571 F N 6.838 126.751 119.950 -0.062 0.000 2.451 571 F HA 0.548 5.075 4.527 -0.000 0.000 0.356 571 F C 0.894 176.713 175.800 0.032 0.000 1.178 571 F CA -0.629 57.376 58.000 0.008 0.000 1.210 571 F CB 0.346 39.358 39.000 0.021 0.000 1.504 571 F HN 0.330 nan 8.300 nan 0.000 0.598 572 I N 1.944 122.607 120.570 0.154 0.000 2.948 572 I HA 0.042 4.212 4.170 -0.000 0.000 0.290 572 I C 0.291 176.525 176.117 0.195 0.000 1.226 572 I CA 0.211 61.596 61.300 0.141 0.000 1.413 572 I CB 0.634 38.700 38.000 0.110 0.000 1.352 572 I HN 0.238 nan 8.210 nan 0.000 0.597 573 V N 2.875 122.904 119.914 0.191 0.000 3.130 573 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 573 V C 0.333 176.521 176.094 0.157 0.000 1.158 573 V CA 0.257 62.669 62.300 0.186 0.000 1.029 573 V CB 1.889 33.822 31.823 0.184 0.000 1.057 573 V HN 1.003 nan 8.190 nan 0.000 0.436 574 G N 3.559 112.435 108.800 0.127 0.000 2.256 574 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.272 574 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.272 574 G C -0.138 174.824 174.900 0.104 0.000 1.076 574 G CA 0.391 45.547 45.100 0.095 0.000 0.882 574 G HN 0.687 nan 8.290 nan 0.000 0.497 575 M N 1.487 121.175 119.600 0.148 0.000 2.869 575 M HA 0.419 4.899 4.480 -0.000 0.000 0.299 575 M C 0.648 176.969 176.300 0.036 0.000 1.508 575 M CA 0.025 55.404 55.300 0.132 0.000 1.551 575 M CB -0.895 31.841 32.600 0.227 0.000 1.384 575 M HN 0.674 nan 8.290 nan 0.000 0.491 576 E N 0.529 120.712 120.200 -0.029 0.000 2.368 576 E HA 0.282 4.632 4.350 -0.000 0.000 0.267 576 E C -1.387 175.135 176.600 -0.129 0.000 1.216 576 E CA -1.148 55.184 56.400 -0.113 0.000 0.891 576 E CB 0.552 30.208 29.700 -0.074 0.000 1.524 576 E HN 0.115 nan 8.360 nan 0.000 0.445 577 E N -0.039 120.068 120.200 -0.155 0.000 2.373 577 E HA 0.343 4.693 4.350 -0.000 0.000 0.263 577 E C 0.938 177.474 176.600 -0.107 0.000 1.073 577 E CA 0.920 57.225 56.400 -0.157 0.000 0.894 577 E CB 1.066 30.672 29.700 -0.156 0.000 1.008 577 E HN 0.905 nan 8.360 nan 0.000 0.420 578 G N 0.563 109.304 108.800 -0.098 0.000 2.328 578 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.256 578 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.256 578 G C 1.048 175.910 174.900 -0.062 0.000 1.014 578 G CA 1.700 46.754 45.100 -0.077 0.000 0.620 578 G HN 0.587 nan 8.290 nan 0.000 0.530 579 M N -1.819 117.749 119.600 -0.053 0.000 2.906 579 M HA 0.812 5.292 4.480 -0.000 0.000 0.252 579 M C 1.429 177.731 176.300 0.003 0.000 1.359 579 M CA 1.949 57.234 55.300 -0.024 0.000 1.239 579 M CB 0.188 32.780 32.600 -0.014 0.000 1.229 579 M HN 2.026 nan 8.290 nan 0.000 0.547 580 F N 1.799 121.746 119.950 -0.005 0.000 3.287 580 F HA 0.650 5.176 4.527 -0.000 0.000 0.379 580 F C -3.272 172.511 175.800 -0.028 0.000 1.268 580 F CA -2.540 55.487 58.000 0.046 0.000 1.220 580 F CB -0.107 38.955 39.000 0.103 0.000 1.687 580 F HN 0.175 nan 8.300 nan 0.000 0.648 581 P HA 0.123 nan 4.420 nan 0.000 0.267 581 P C 0.975 178.250 177.300 -0.041 0.000 1.205 581 P CA 1.065 64.164 63.100 -0.000 0.000 0.765 581 P CB 1.632 33.308 31.700 -0.040 0.000 0.828 582 S N 1.443 117.140 115.700 -0.004 0.000 2.484 582 S HA -0.198 4.272 4.470 -0.000 0.000 0.250 582 S C 1.240 175.812 174.600 -0.046 0.000 0.995 582 S CA 1.460 59.645 58.200 -0.026 0.000 0.967 582 S CB -1.507 61.681 63.200 -0.020 0.000 0.752 582 S HN 0.929 nan 8.310 nan 0.000 0.517 583 Q N -2.237 117.533 119.800 -0.049 0.000 2.387 583 Q HA 0.208 4.548 4.340 -0.000 0.000 0.287 583 Q C 0.445 176.422 176.000 -0.038 0.000 1.367 583 Q CA 1.284 57.053 55.803 -0.056 0.000 0.690 583 Q CB -2.939 25.759 28.738 -0.066 0.000 1.090 583 Q HN 2.012 nan 8.270 nan 0.000 0.376 592 L N 0.246 121.503 121.223 0.056 0.000 2.027 592 L HA 0.332 4.672 4.340 -0.000 0.000 0.206 592 L C 2.746 179.664 176.870 0.080 0.000 1.074 592 L CA 3.465 58.351 54.840 0.077 0.000 0.745 592 L CB -1.808 40.294 42.059 0.072 0.000 0.898 592 L HN 0.890 nan 8.230 nan 0.000 0.433 593 E N 0.249 120.476 120.200 0.045 0.000 2.070 593 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 593 E C 2.270 178.865 176.600 -0.009 0.000 1.004 593 E CA 3.231 59.635 56.400 0.008 0.000 0.805 593 E CB -1.541 28.159 29.700 0.000 0.000 0.744 593 E HN 1.129 nan 8.360 nan 0.000 0.451 594 E N 1.118 121.329 120.200 0.018 0.000 2.208 594 E HA -0.321 4.029 4.350 -0.000 0.000 0.202 594 E C 1.993 178.589 176.600 -0.007 0.000 1.014 594 E CA 1.661 58.070 56.400 0.015 0.000 0.819 594 E CB -0.605 29.131 29.700 0.060 0.000 0.735 594 E HN 0.699 nan 8.360 nan 0.000 0.469 595 E N -0.723 119.494 120.200 0.028 0.000 2.016 595 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 595 E C 2.732 179.269 176.600 -0.105 0.000 0.985 595 E CA 1.735 58.169 56.400 0.055 0.000 0.802 595 E CB -0.598 29.241 29.700 0.233 0.000 0.762 595 E HN 0.624 nan 8.360 nan 0.000 0.448 596 R N 2.211 122.521 120.500 -0.318 0.000 2.091 596 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 596 R C 2.194 178.312 176.300 -0.303 0.000 1.136 596 R CA 1.724 57.408 56.100 -0.692 0.000 0.959 596 R CB -1.242 28.647 30.300 -0.685 0.000 0.856 596 R HN 0.107 nan 8.270 nan 0.000 0.437 597 R N -0.171 120.234 120.500 -0.158 0.000 2.136 597 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 597 R C 2.770 179.033 176.300 -0.061 0.000 1.131 597 R CA 2.232 58.304 56.100 -0.047 0.000 0.937 597 R CB -1.655 28.616 30.300 -0.049 0.000 0.863 597 R HN 0.519 nan 8.270 nan 0.000 0.435 598 L N 0.599 121.741 121.223 -0.136 0.000 2.187 598 L HA 0.033 4.373 4.340 -0.000 0.000 0.213 598 L C 2.715 179.516 176.870 -0.115 0.000 1.100 598 L CA 2.510 57.244 54.840 -0.178 0.000 0.765 598 L CB -1.679 40.239 42.059 -0.235 0.000 0.904 598 L HN 0.406 nan 8.230 nan 0.000 0.437 599 A N -2.083 120.667 122.820 -0.118 0.000 1.929 599 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 599 A C 2.312 179.884 177.584 -0.020 0.000 1.176 599 A CA 1.362 53.343 52.037 -0.093 0.000 0.628 599 A CB -0.711 18.141 19.000 -0.247 0.000 0.816 599 A HN 0.823 nan 8.150 nan 0.000 0.444 600 Y N 1.239 121.432 120.300 -0.179 0.000 2.070 600 Y HA -0.191 4.359 4.550 -0.000 0.000 0.279 600 Y C 2.392 178.227 175.900 -0.108 0.000 1.134 600 Y CA 1.781 59.800 58.100 -0.135 0.000 1.113 600 Y CB -0.875 37.505 38.460 -0.133 0.000 0.981 600 Y HN 0.061 nan 8.280 nan 0.000 0.487 601 V N 0.482 120.301 119.914 -0.158 0.000 2.453 601 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 601 V C 2.580 178.575 176.094 -0.164 0.000 1.068 601 V CA 1.884 64.037 62.300 -0.244 0.000 1.070 601 V CB -1.722 29.980 31.823 -0.201 0.000 0.664 601 V HN 0.612 nan 8.190 nan 0.000 0.461 602 G N -0.532 108.208 108.800 -0.100 0.000 2.404 602 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 602 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 602 G C 1.657 176.533 174.900 -0.040 0.000 1.189 602 G CA 1.009 46.077 45.100 -0.055 0.000 0.789 602 G HN 0.360 nan 8.290 nan 0.000 0.533 603 V N 1.548 121.446 119.914 -0.027 0.000 2.307 603 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 603 V C 3.015 179.079 176.094 -0.050 0.000 1.045 603 V CA 2.220 64.512 62.300 -0.013 0.000 1.024 603 V CB -0.874 30.968 31.823 0.032 0.000 0.651 603 V HN 0.434 nan 8.190 nan 0.000 0.449 604 T N -0.105 114.381 114.554 -0.113 0.000 3.118 604 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 604 T C 1.665 176.273 174.700 -0.152 0.000 1.166 604 T CA 0.599 62.594 62.100 -0.174 0.000 1.073 604 T CB -0.295 68.348 68.868 -0.376 0.000 0.884 604 T HN 0.332 nan 8.240 nan 0.000 0.550 605 R N 0.741 121.177 120.500 -0.107 0.000 2.280 605 R HA 0.401 4.741 4.340 -0.000 0.000 0.195 605 R C 1.130 177.399 176.300 -0.052 0.000 0.935 605 R CA 0.009 56.054 56.100 -0.092 0.000 1.033 605 R CB -0.243 30.052 30.300 -0.009 0.000 0.964 605 R HN 0.434 nan 8.270 nan 0.000 0.489 606 A N 0.811 123.605 122.820 -0.044 0.000 2.332 606 A HA 0.521 4.841 4.320 -0.000 0.000 0.258 606 A C 0.890 178.438 177.584 -0.060 0.000 1.087 606 A CA -0.095 51.915 52.037 -0.045 0.000 0.802 606 A CB 0.638 19.600 19.000 -0.063 0.000 1.042 606 A HN 0.065 nan 8.150 nan 0.000 0.489 607 M N -0.638 118.927 119.600 -0.059 0.000 2.875 607 M HA 0.117 4.597 4.480 -0.000 0.000 0.174 607 M C 1.815 178.089 176.300 -0.043 0.000 2.056 607 M CA -0.116 55.155 55.300 -0.050 0.000 1.413 607 M CB -0.519 32.057 32.600 -0.041 0.000 1.229 607 M HN 0.767 nan 8.290 nan 0.000 0.612 608 Q N 1.310 121.086 119.800 -0.040 0.000 2.124 608 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 608 Q C 0.355 176.324 176.000 -0.052 0.000 0.977 608 Q CA 1.648 57.437 55.803 -0.024 0.000 0.850 608 Q CB 0.061 28.801 28.738 0.002 0.000 0.901 608 Q HN 0.446 nan 8.270 nan 0.000 0.429 609 K N -0.113 120.220 120.400 -0.111 0.000 2.589 609 K HA 0.445 4.765 4.320 -0.000 0.000 0.265 609 K C -1.849 174.633 176.600 -0.196 0.000 0.935 609 K CA -0.650 55.560 56.287 -0.128 0.000 0.850 609 K CB 0.772 33.195 32.500 -0.128 0.000 1.372 609 K HN 0.060 nan 8.250 nan 0.000 0.420 610 L N 0.313 121.450 121.223 -0.144 0.000 2.335 610 L HA 0.956 5.296 4.340 -0.000 0.000 0.268 610 L C 0.339 177.119 176.870 -0.150 0.000 1.016 610 L CA 0.329 55.075 54.840 -0.157 0.000 0.805 610 L CB 2.494 44.514 42.059 -0.066 0.000 1.311 610 L HN 1.127 nan 8.230 nan 0.000 0.456 611 T N 2.678 117.163 114.554 -0.115 0.000 3.999 611 T HA 0.299 4.648 4.350 -0.000 0.000 0.257 611 T C -1.172 173.629 174.700 0.168 0.000 0.606 611 T CA -0.522 61.598 62.100 0.034 0.000 0.973 611 T CB -0.733 68.159 68.868 0.040 0.000 1.182 611 T HN 0.530 nan 8.240 nan 0.000 0.494 612 L N 4.218 125.539 121.223 0.163 0.000 2.380 612 L HA 0.619 4.959 4.340 -0.000 0.000 0.273 612 L C 1.049 178.069 176.870 0.251 0.000 1.138 612 L CA -0.484 54.479 54.840 0.205 0.000 0.832 612 L CB 0.993 43.157 42.059 0.176 0.000 1.124 612 L HN 0.743 nan 8.230 nan 0.000 0.454 613 T N -0.238 114.470 114.554 0.257 0.000 2.876 613 T HA 0.696 5.046 4.350 -0.000 0.000 0.289 613 T C -0.807 174.017 174.700 0.207 0.000 1.014 613 T CA -0.703 61.517 62.100 0.199 0.000 0.986 613 T CB 1.786 70.788 68.868 0.224 0.000 1.021 613 T HN 0.536 nan 8.240 nan 0.000 0.458 614 Y N -0.074 120.231 120.300 0.008 0.000 2.625 614 Y HA 0.898 5.448 4.550 -0.000 0.000 0.338 614 Y C -0.726 175.110 175.900 -0.106 0.000 1.123 614 Y CA -1.613 56.466 58.100 -0.035 0.000 1.046 614 Y CB 0.898 39.335 38.460 -0.037 0.000 1.299 614 Y HN 0.994 nan 8.280 nan 0.000 0.464 615 A N 0.694 123.514 122.820 0.001 0.000 2.464 615 A HA 0.776 5.096 4.320 -0.000 0.000 0.268 615 A C -0.157 177.437 177.584 0.018 0.000 1.244 615 A CA -0.720 51.246 52.037 -0.118 0.000 0.871 615 A CB 1.214 20.145 19.000 -0.115 0.000 1.400 615 A HN 0.774 nan 8.150 nan 0.000 0.455 616 E N -0.245 119.939 120.200 -0.026 0.000 2.583 616 E HA 0.239 4.589 4.350 -0.000 0.000 0.213 616 E C -0.893 175.706 176.600 -0.002 0.000 0.989 616 E CA 0.426 56.834 56.400 0.013 0.000 0.991 616 E CB 1.021 30.728 29.700 0.012 0.000 1.040 616 E HN 0.560 nan 8.360 nan 0.000 0.481 617 T N -0.034 114.505 114.554 -0.024 0.000 2.942 617 T HA 0.780 5.130 4.350 -0.000 0.000 0.327 617 T C -0.363 174.306 174.700 -0.052 0.000 1.360 617 T CA -0.380 61.702 62.100 -0.031 0.000 1.055 617 T CB 2.137 70.994 68.868 -0.018 0.000 1.261 617 T HN 0.272 nan 8.240 nan 0.000 0.485 618 R N -0.426 120.044 120.500 -0.050 0.000 2.855 618 R HA 0.945 5.285 4.340 -0.000 0.000 0.274 618 R C -1.601 174.665 176.300 -0.058 0.000 0.997 618 R CA -0.359 55.706 56.100 -0.059 0.000 0.856 618 R CB 0.087 30.353 30.300 -0.057 0.000 1.378 618 R HN 1.321 nan 8.270 nan 0.000 0.462 619 R N -0.070 120.393 120.500 -0.063 0.000 2.521 619 R HA 0.858 5.198 4.340 -0.000 0.000 0.295 619 R C 0.217 176.464 176.300 -0.089 0.000 1.183 619 R CA 0.048 56.111 56.100 -0.062 0.000 0.957 619 R CB 0.051 30.330 30.300 -0.035 0.000 1.171 619 R HN 2.294 nan 8.270 nan 0.000 0.494 620 L N 3.204 124.330 121.223 -0.162 0.000 2.536 620 L HA 0.536 4.875 4.340 -0.000 0.000 0.282 620 L C 0.825 177.464 176.870 -0.385 0.000 1.174 620 L CA -0.107 54.537 54.840 -0.326 0.000 0.989 620 L CB -1.647 40.145 42.059 -0.446 0.000 1.311 620 L HN 1.777 nan 8.230 nan 0.000 0.455 621 Y N 1.804 122.084 120.300 -0.033 0.000 2.984 621 Y HA -0.005 4.545 4.550 -0.000 0.000 0.193 621 Y C 1.103 176.987 175.900 -0.025 0.000 1.413 621 Y CA -0.031 58.050 58.100 -0.030 0.000 0.832 621 Y CB -1.706 36.736 38.460 -0.029 0.000 1.314 621 Y HN 2.489 nan 8.280 nan 0.000 0.386 622 G N -0.651 108.236 108.800 0.146 0.000 3.757 622 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 622 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 622 G C 0.645 175.580 174.900 0.058 0.000 1.411 622 G CA 1.046 46.205 45.100 0.099 0.000 0.896 622 G HN 1.747 nan 8.290 nan 0.000 0.581 623 K N 1.734 122.177 120.400 0.071 0.000 2.437 623 K HA 0.442 4.762 4.320 -0.000 0.000 0.277 623 K C 0.420 176.998 176.600 -0.037 0.000 1.073 623 K CA 1.354 57.645 56.287 0.007 0.000 1.105 623 K CB -0.198 32.288 32.500 -0.024 0.000 0.881 623 K HN 0.958 nan 8.250 nan 0.000 0.475 624 E N 2.333 122.519 120.200 -0.023 0.000 2.159 624 E HA 0.256 4.605 4.350 -0.000 0.000 0.272 624 E C -0.816 175.760 176.600 -0.041 0.000 1.138 624 E CA -0.355 56.028 56.400 -0.028 0.000 0.915 624 E CB 0.301 29.992 29.700 -0.014 0.000 1.028 624 E HN 0.419 nan 8.360 nan 0.000 0.423 625 V N 3.506 123.386 119.914 -0.056 0.000 2.483 625 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 625 V C 0.134 176.201 176.094 -0.044 0.000 1.035 625 V CA -0.446 61.818 62.300 -0.059 0.000 0.896 625 V CB 1.115 32.886 31.823 -0.087 0.000 0.986 625 V HN 0.617 nan 8.190 nan 0.000 0.447 626 Y N 1.419 121.697 120.300 -0.036 0.000 2.919 626 Y HA 0.694 5.244 4.550 -0.000 0.000 0.341 626 Y C 0.558 176.442 175.900 -0.027 0.000 1.045 626 Y CA -0.615 57.470 58.100 -0.024 0.000 1.218 626 Y CB -0.536 37.914 38.460 -0.016 0.000 1.137 626 Y HN 1.203 nan 8.280 nan 0.000 0.577 627 H N 1.089 120.142 119.070 -0.028 0.000 2.548 627 H HA 0.815 5.371 4.556 -0.000 0.000 0.366 627 H C 0.006 175.320 175.328 -0.023 0.000 1.433 627 H CA 0.029 56.056 56.048 -0.034 0.000 1.443 627 H CB 0.644 30.382 29.762 -0.040 0.000 1.594 627 H HN 0.847 nan 8.280 nan 0.000 0.608 628 R N 0.860 121.328 120.500 -0.052 0.000 2.599 628 R HA 0.394 4.734 4.340 -0.000 0.000 0.295 628 R C -3.093 173.114 176.300 -0.156 0.000 0.963 628 R CA -2.940 53.115 56.100 -0.075 0.000 0.883 628 R CB 0.399 30.649 30.300 -0.082 0.000 1.171 628 R HN 0.554 nan 8.270 nan 0.000 0.450 629 P HA -0.159 nan 4.420 nan 0.000 0.266 629 P C -0.331 176.748 177.300 -0.368 0.000 1.162 629 P CA 0.338 63.086 63.100 -0.586 0.000 0.758 629 P CB 0.537 31.585 31.700 -1.087 0.000 0.774 630 S N 2.045 117.553 115.700 -0.320 0.000 2.549 630 S HA -0.003 4.467 4.470 -0.000 0.000 0.286 630 S C 1.894 176.330 174.600 -0.273 0.000 1.314 630 S CA -0.460 57.573 58.200 -0.279 0.000 1.062 630 S CB 0.110 63.192 63.200 -0.198 0.000 0.865 630 S HN 0.486 nan 8.310 nan 0.000 0.498 631 R N 3.715 123.998 120.500 -0.362 0.000 2.103 631 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 631 R C 1.227 177.474 176.300 -0.089 0.000 1.142 631 R CA 2.029 57.975 56.100 -0.257 0.000 0.960 631 R CB -0.777 29.334 30.300 -0.316 0.000 0.858 631 R HN 0.614 nan 8.270 nan 0.000 0.439 632 F N 1.799 121.719 119.950 -0.051 0.000 2.161 632 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 632 F C 2.171 177.949 175.800 -0.035 0.000 1.089 632 F CA 0.161 58.140 58.000 -0.035 0.000 1.282 632 F CB -0.667 38.320 39.000 -0.022 0.000 1.010 632 F HN 0.053 nan 8.300 nan 0.000 0.485 633 I N -0.040 120.593 120.570 0.105 0.000 3.609 633 I HA 0.106 4.276 4.170 -0.000 0.000 0.305 633 I C 1.419 177.537 176.117 0.002 0.000 1.239 633 I CA 0.608 61.933 61.300 0.041 0.000 1.191 633 I CB -0.859 37.130 38.000 -0.018 0.000 1.020 633 I HN 0.149 nan 8.210 nan 0.000 0.471 634 G N 0.021 108.835 108.800 0.022 0.000 2.512 634 G HA2 0.004 3.964 3.960 -0.000 0.000 0.193 634 G HA3 0.004 3.964 3.960 -0.000 0.000 0.193 634 G C 1.011 175.928 174.900 0.028 0.000 1.278 634 G CA -0.108 44.995 45.100 0.004 0.000 0.722 634 G HN 0.364 nan 8.290 nan 0.000 0.925 635 E N 0.497 120.734 120.200 0.062 0.000 2.409 635 E HA 0.113 4.463 4.350 -0.000 0.000 0.198 635 E C 0.950 177.570 176.600 0.035 0.000 1.024 635 E CA 0.025 56.460 56.400 0.057 0.000 0.861 635 E CB -0.080 29.677 29.700 0.095 0.000 0.788 635 E HN 0.435 nan 8.360 nan 0.000 0.521 636 L N 1.575 122.821 121.223 0.038 0.000 2.476 636 L HA 0.217 4.557 4.340 -0.000 0.000 0.255 636 L C -1.884 174.999 176.870 0.021 0.000 1.218 636 L CA -2.018 52.838 54.840 0.027 0.000 0.819 636 L CB -0.466 41.615 42.059 0.036 0.000 1.119 636 L HN -0.125 nan 8.230 nan 0.000 0.485 637 P HA 0.112 nan 4.420 nan 0.000 0.281 637 P C -0.549 176.763 177.300 0.021 0.000 1.286 637 P CA -0.297 62.812 63.100 0.016 0.000 0.772 637 P CB 1.011 32.720 31.700 0.015 0.000 0.862 638 E N 2.224 122.435 120.200 0.019 0.000 2.393 638 E HA -0.209 4.141 4.350 -0.000 0.000 0.201 638 E C 1.018 177.632 176.600 0.024 0.000 1.025 638 E CA 1.478 57.891 56.400 0.022 0.000 0.856 638 E CB -0.358 29.352 29.700 0.017 0.000 0.771 638 E HN 0.586 nan 8.360 nan 0.000 0.526 639 E N -0.986 119.227 120.200 0.021 0.000 2.250 639 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 639 E C 1.383 177.998 176.600 0.025 0.000 0.986 639 E CA 0.656 57.069 56.400 0.022 0.000 0.849 639 E CB -0.204 29.507 29.700 0.018 0.000 0.797 639 E HN 0.260 nan 8.360 nan 0.000 0.482 640 C N 0.824 120.139 119.300 0.026 0.000 2.563 640 C HA 0.170 4.630 4.460 -0.000 0.000 0.268 640 C C 1.551 176.560 174.990 0.033 0.000 1.365 640 C CA -0.378 58.656 59.018 0.027 0.000 1.754 640 C CB -1.035 26.719 27.740 0.025 0.000 1.932 640 C HN 0.286 nan 8.230 nan 0.000 0.536 641 V N 0.380 120.317 119.914 0.038 0.000 3.751 641 V HA 0.483 4.603 4.120 -0.000 0.000 0.274 641 V C -0.286 175.840 176.094 0.053 0.000 0.960 641 V CA -0.226 62.103 62.300 0.048 0.000 0.960 641 V CB 0.647 32.500 31.823 0.051 0.000 1.244 641 V HN 0.531 nan 8.190 nan 0.000 0.417 642 E N -0.557 119.682 120.200 0.065 0.000 3.664 642 E HA 0.174 4.524 4.350 -0.000 0.000 0.378 642 E C -1.502 175.150 176.600 0.086 0.000 1.032 642 E CA -0.421 56.020 56.400 0.070 0.000 0.817 642 E CB 0.962 30.704 29.700 0.069 0.000 1.281 642 E HN 0.916 nan 8.360 nan 0.000 0.488 643 E N 3.179 123.427 120.200 0.080 0.000 2.229 643 E HA 0.419 4.769 4.350 -0.000 0.000 0.283 643 E C -1.045 175.613 176.600 0.096 0.000 1.030 643 E CA -0.340 56.111 56.400 0.085 0.000 0.836 643 E CB 1.433 31.174 29.700 0.068 0.000 1.068 643 E HN 0.339 nan 8.360 nan 0.000 0.401 644 V N 0.000 119.985 119.914 0.118 0.000 2.409 644 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 644 V CA 0.000 62.397 62.300 0.161 0.000 1.235 644 V CB 0.000 31.971 31.823 0.248 0.000 1.184 644 V HN 0.000 nan 8.190 nan 0.000 0.556