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 1j70_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMPAPHGGIL QDLIARDALK KNELLSEAQS SDILVWNLTP RQLCDIELIL DATA SEQUENCE NGGFSPLTGF LNENDYSSVV TDSRLADGTL WTIPITLDVD EAFANQIKPD DATA SEQUENCE TRIALFQDDE IPIAILTVQD VYKPNKTIEA EKVFRGDPEH PAISYLFNVA DATA SEQUENCE GDYYVGGSLE AIQLPQHYDY PGLRKTPAQL RLEFQSRQWD RVVAFQTRNP DATA SEQUENCE MHRAHRELTV RAAREANAKV LIHPVVGLTK PGDIDHHTRV RVYQEIIKRY DATA SEQUENCE PNGIAFLSLL PLAMRMSGDR EAVWHAIIRK NYGASHFIVG RDHAGPGKNS DATA SEQUENCE KGVDFYGPYD AQELVESYKH ELDIEVVPFR MVTYLPDEDR YAPIDQIDTT DATA SEQUENCE KTRTLNISGT ELRRRLRVGG EIPEWFSYPE VVKILRESNP PRPKQGFSIV DATA SEQUENCE LGNSLTVSRE QLSIALLSTF LQFGGGRYYK IFEHNNKTEL LSLIQDFIGS DATA SEQUENCE GSGLIIPNQW EDDKDSVVGK QNVYLLDTSS SADIQLESAD EPISHIVQKV DATA SEQUENCE VLFLEDNGFF VF 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.358 175.328 0.051 0.000 0.993 0 H CA 0.000 56.074 56.048 0.044 0.000 1.023 0 H CB 0.000 29.792 29.762 0.051 0.000 1.292 1 M N 5.000 124.700 119.600 0.166 0.000 2.611 1 M HA 0.098 4.578 4.480 -0.000 0.000 0.361 1 M C -2.187 174.182 176.300 0.114 0.000 1.761 1 M CA -0.798 54.584 55.300 0.137 0.000 1.145 1 M CB 0.152 32.836 32.600 0.139 0.000 2.121 1 M HN -0.146 nan 8.290 nan 0.000 0.465 2 P HA 0.013 nan 4.420 nan 0.000 0.269 2 P C -1.250 176.102 177.300 0.086 0.000 1.205 2 P CA 0.018 63.175 63.100 0.094 0.000 0.780 2 P CB 0.454 32.208 31.700 0.090 0.000 0.858 3 A N 3.353 126.219 122.820 0.076 0.000 2.304 3 A HA 0.562 4.882 4.320 -0.000 0.000 0.301 3 A C -2.280 175.352 177.584 0.080 0.000 1.132 3 A CA -1.713 50.363 52.037 0.064 0.000 0.819 3 A CB -0.583 18.446 19.000 0.048 0.000 1.094 3 A HN 0.388 nan 8.150 nan 0.000 0.492 4 P HA -0.037 nan 4.420 nan 0.000 0.267 4 P C -0.458 176.924 177.300 0.137 0.000 1.195 4 P CA 0.549 63.704 63.100 0.092 0.000 0.773 4 P CB 0.180 31.912 31.700 0.052 0.000 0.837 5 H N 1.488 120.602 119.070 0.073 0.000 3.145 5 H HA 0.341 4.897 4.556 -0.000 0.000 0.263 5 H C 1.437 176.813 175.328 0.080 0.000 1.057 5 H CA 1.762 57.864 56.048 0.091 0.000 1.477 5 H CB -0.983 28.866 29.762 0.145 0.000 1.529 5 H HN 0.646 nan 8.280 nan 0.000 0.508 6 G N 2.382 111.075 108.800 -0.177 0.000 2.296 6 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.188 6 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.188 6 G C 1.075 175.932 174.900 -0.072 0.000 1.000 6 G CA 0.369 45.367 45.100 -0.169 0.000 0.672 6 G HN 1.552 nan 8.290 nan 0.000 0.483 7 G N -0.585 108.200 108.800 -0.026 0.000 2.397 7 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.211 7 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.211 7 G C 0.201 175.101 174.900 -0.000 0.000 1.077 7 G CA 0.265 45.360 45.100 -0.009 0.000 0.649 7 G HN 1.321 nan 8.290 nan 0.000 0.511 8 I N 1.386 121.952 120.570 -0.005 0.000 2.545 8 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 8 I C -0.211 175.905 176.117 -0.003 0.000 1.040 8 I CA -1.102 60.195 61.300 -0.005 0.000 1.068 8 I CB 2.148 40.139 38.000 -0.014 0.000 1.251 8 I HN 0.184 nan 8.210 nan 0.000 0.424 9 L N 6.490 127.709 121.223 -0.008 0.000 2.477 9 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 9 L C 0.482 177.337 176.870 -0.026 0.000 1.157 9 L CA 0.546 55.375 54.840 -0.018 0.000 0.889 9 L CB 0.120 42.155 42.059 -0.040 0.000 1.158 9 L HN 0.515 nan 8.230 nan 0.000 0.473 10 Q N 3.369 123.157 119.800 -0.020 0.000 3.170 10 Q HA 0.058 4.398 4.340 -0.000 0.000 0.346 10 Q C -0.496 175.482 176.000 -0.038 0.000 1.333 10 Q CA -0.022 55.766 55.803 -0.025 0.000 0.958 10 Q CB -0.370 28.358 28.738 -0.017 0.000 1.600 10 Q HN 0.607 nan 8.270 nan 0.000 0.482 11 D N 1.239 121.610 120.400 -0.049 0.000 2.541 11 D HA -0.005 4.635 4.640 -0.000 0.000 0.231 11 D C 1.023 177.295 176.300 -0.046 0.000 1.163 11 D CA 0.027 53.992 54.000 -0.060 0.000 1.077 11 D CB -0.024 40.736 40.800 -0.067 0.000 1.110 11 D HN 0.306 nan 8.370 nan 0.000 0.499 12 L N 2.654 123.853 121.223 -0.041 0.000 2.079 12 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 12 L C 2.193 179.044 176.870 -0.032 0.000 1.081 12 L CA 0.509 55.331 54.840 -0.031 0.000 0.752 12 L CB -0.360 41.684 42.059 -0.026 0.000 0.896 12 L HN 0.441 nan 8.230 nan 0.000 0.433 13 I N 0.564 121.111 120.570 -0.038 0.000 2.248 13 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 13 I C 2.650 178.746 176.117 -0.035 0.000 1.107 13 I CA 1.757 63.035 61.300 -0.038 0.000 1.373 13 I CB -1.140 36.834 38.000 -0.044 0.000 1.055 13 I HN 0.234 nan 8.210 nan 0.000 0.418 14 A N 0.964 123.761 122.820 -0.038 0.000 2.123 14 A HA -0.114 4.205 4.320 -0.000 0.000 0.214 14 A C 2.241 179.808 177.584 -0.029 0.000 1.152 14 A CA 0.842 52.858 52.037 -0.035 0.000 0.728 14 A CB -0.354 18.622 19.000 -0.040 0.000 0.814 14 A HN 0.524 nan 8.150 nan 0.000 0.464 15 R N -1.243 119.241 120.500 -0.027 0.000 2.290 15 R HA 0.144 4.484 4.340 -0.000 0.000 0.197 15 R C -0.459 175.830 176.300 -0.018 0.000 0.913 15 R CA 1.025 57.112 56.100 -0.022 0.000 1.040 15 R CB -0.016 30.272 30.300 -0.021 0.000 0.992 15 R HN 0.089 nan 8.270 nan 0.000 0.500 16 D N 0.455 120.844 120.400 -0.019 0.000 2.538 16 D HA 0.278 4.918 4.640 -0.000 0.000 0.231 16 D C 0.792 177.081 176.300 -0.018 0.000 1.229 16 D CA 0.244 54.234 54.000 -0.016 0.000 0.828 16 D CB 1.254 42.046 40.800 -0.014 0.000 1.035 16 D HN 0.325 nan 8.370 nan 0.000 0.495 17 A N 0.324 123.132 122.820 -0.020 0.000 1.855 17 A HA -0.067 4.252 4.320 -0.000 0.000 0.215 17 A C 1.810 179.384 177.584 -0.017 0.000 1.191 17 A CA 0.711 52.736 52.037 -0.020 0.000 0.613 17 A CB -0.578 18.409 19.000 -0.022 0.000 0.829 17 A HN 0.289 nan 8.150 nan 0.000 0.442 18 L N -0.969 120.246 121.223 -0.014 0.000 2.786 18 L HA -0.014 4.326 4.340 -0.000 0.000 0.250 18 L C 0.769 177.634 176.870 -0.009 0.000 1.151 18 L CA 0.750 55.583 54.840 -0.012 0.000 0.910 18 L CB -0.352 41.701 42.059 -0.011 0.000 1.082 18 L HN 0.379 nan 8.230 nan 0.000 0.433 19 K N -1.195 119.199 120.400 -0.010 0.000 2.586 19 K HA 0.078 4.398 4.320 -0.000 0.000 0.198 19 K C 1.280 177.875 176.600 -0.009 0.000 1.170 19 K CA -0.196 56.087 56.287 -0.007 0.000 1.069 19 K CB 0.700 33.197 32.500 -0.005 0.000 0.944 19 K HN -0.009 nan 8.250 nan 0.000 0.572 20 K N 1.841 122.234 120.400 -0.013 0.000 1.978 20 K HA -0.133 4.187 4.320 -0.000 0.000 0.214 20 K C 1.456 178.047 176.600 -0.015 0.000 1.049 20 K CA 1.749 58.026 56.287 -0.017 0.000 0.939 20 K CB 0.079 32.566 32.500 -0.021 0.000 0.721 20 K HN 0.095 nan 8.250 nan 0.000 0.441 21 N N 1.022 119.715 118.700 -0.011 0.000 2.094 21 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 21 N C 1.787 177.296 175.510 -0.002 0.000 1.023 21 N CA 1.449 54.495 53.050 -0.007 0.000 0.857 21 N CB -0.318 38.166 38.487 -0.004 0.000 1.013 21 N HN 0.423 nan 8.380 nan 0.000 0.426 22 E N 1.067 121.267 120.200 -0.001 0.000 2.023 22 E HA -0.144 4.205 4.350 -0.000 0.000 0.196 22 E C 2.166 178.770 176.600 0.007 0.000 1.003 22 E CA 0.919 57.322 56.400 0.004 0.000 0.809 22 E CB -0.075 29.627 29.700 0.003 0.000 0.755 22 E HN 0.252 nan 8.360 nan 0.000 0.449 23 L N 0.461 121.686 121.223 0.003 0.000 2.083 23 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 23 L C 2.673 179.543 176.870 0.000 0.000 1.083 23 L CA 0.403 55.246 54.840 0.004 0.000 0.752 23 L CB -0.365 41.692 42.059 -0.003 0.000 0.899 23 L HN 0.276 nan 8.230 nan 0.000 0.433 24 L N -0.620 120.597 121.223 -0.011 0.000 2.012 24 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 24 L C 2.620 179.496 176.870 0.011 0.000 1.073 24 L CA 1.819 56.648 54.840 -0.019 0.000 0.748 24 L CB -0.558 41.488 42.059 -0.022 0.000 0.891 24 L HN 0.127 nan 8.230 nan 0.000 0.431 25 S N -0.489 115.222 115.700 0.018 0.000 2.354 25 S HA -0.311 4.158 4.470 -0.000 0.000 0.219 25 S C 1.840 176.470 174.600 0.050 0.000 1.035 25 S CA 1.627 59.846 58.200 0.032 0.000 1.037 25 S CB -0.529 62.685 63.200 0.024 0.000 0.956 25 S HN 0.652 nan 8.310 nan 0.000 0.428 26 E N 1.426 121.653 120.200 0.046 0.000 2.114 26 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 26 E C 2.057 178.716 176.600 0.098 0.000 1.008 26 E CA 1.271 57.707 56.400 0.061 0.000 0.810 26 E CB -0.359 29.371 29.700 0.051 0.000 0.739 26 E HN 0.457 nan 8.360 nan 0.000 0.456 27 A N 0.923 123.804 122.820 0.103 0.000 1.851 27 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 27 A C 2.029 179.808 177.584 0.326 0.000 1.195 27 A CA 1.898 54.047 52.037 0.186 0.000 0.622 27 A CB -0.654 18.364 19.000 0.028 0.000 0.831 27 A HN 0.431 nan 8.150 nan 0.000 0.444 28 Q N 0.755 120.705 119.800 0.249 0.000 2.373 28 Q HA 0.082 4.421 4.340 -0.000 0.000 0.206 28 Q C 0.535 176.618 176.000 0.138 0.000 0.942 28 Q CA 0.256 56.213 55.803 0.256 0.000 0.953 28 Q CB -0.223 28.627 28.738 0.187 0.000 1.022 28 Q HN 0.733 nan 8.270 nan 0.000 0.502 29 S N -0.538 115.231 115.700 0.115 0.000 2.603 29 S HA 0.106 4.576 4.470 -0.000 0.000 0.268 29 S C 1.285 175.917 174.600 0.055 0.000 1.317 29 S CA -0.149 58.093 58.200 0.071 0.000 1.012 29 S CB 1.532 64.769 63.200 0.061 0.000 0.926 29 S HN 0.253 nan 8.310 nan 0.000 0.539 30 S N 0.764 116.485 115.700 0.034 0.000 2.414 30 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 30 S C 0.842 175.452 174.600 0.017 0.000 1.022 30 S CA 0.901 59.112 58.200 0.018 0.000 0.958 30 S CB -0.739 62.468 63.200 0.012 0.000 0.797 30 S HN 0.780 nan 8.310 nan 0.000 0.493 31 D N 1.402 121.816 120.400 0.023 0.000 2.103 31 D HA 0.155 4.794 4.640 -0.000 0.000 0.199 31 D C 0.611 176.928 176.300 0.027 0.000 0.978 31 D CA 0.344 54.356 54.000 0.019 0.000 0.829 31 D CB -0.457 40.353 40.800 0.018 0.000 0.981 31 D HN 0.350 nan 8.370 nan 0.000 0.464 32 I N 1.291 121.889 120.570 0.046 0.000 2.919 32 I HA -0.075 4.094 4.170 -0.000 0.000 0.303 32 I C -0.294 175.867 176.117 0.074 0.000 1.221 32 I CA -0.155 61.185 61.300 0.067 0.000 1.444 32 I CB 0.310 38.370 38.000 0.100 0.000 1.331 32 I HN -0.114 nan 8.210 nan 0.000 0.572 33 L N 8.388 129.662 121.223 0.086 0.000 2.380 33 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 33 L C -0.530 176.465 176.870 0.208 0.000 1.138 33 L CA 0.289 55.200 54.840 0.119 0.000 0.832 33 L CB 0.884 42.989 42.059 0.078 0.000 1.124 33 L HN 0.414 nan 8.230 nan 0.000 0.454 34 V N 4.968 125.000 119.914 0.196 0.000 2.667 34 V HA 0.482 4.601 4.120 -0.000 0.000 0.308 34 V C -0.886 175.362 176.094 0.258 0.000 1.048 34 V CA -0.716 61.680 62.300 0.160 0.000 0.928 34 V CB 1.896 33.594 31.823 -0.208 0.000 1.004 34 V HN 0.860 nan 8.190 nan 0.000 0.444 35 W N 4.749 126.049 121.300 -0.001 0.000 2.900 35 W HA 0.402 5.062 4.660 -0.000 0.000 0.336 35 W C -1.054 175.411 176.519 -0.091 0.000 1.064 35 W CA -0.764 56.456 57.345 -0.209 0.000 1.237 35 W CB 1.762 30.950 29.460 -0.454 0.000 1.391 35 W HN 0.731 nan 8.180 nan 0.000 0.468 36 N N 5.843 123.990 118.700 -0.922 0.000 2.401 36 N HA 0.184 4.924 4.740 -0.000 0.000 0.255 36 N C -0.402 174.611 175.510 -0.827 0.000 1.110 36 N CA -0.289 52.368 53.050 -0.655 0.000 0.949 36 N CB 0.673 38.844 38.487 -0.526 0.000 1.110 36 N HN 0.437 nan 8.380 nan 0.000 0.490 37 L N 2.642 123.706 121.223 -0.266 0.000 2.462 37 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 37 L C 1.389 178.241 176.870 -0.030 0.000 1.166 37 L CA 0.207 55.040 54.840 -0.011 0.000 0.880 37 L CB 0.749 42.882 42.059 0.124 0.000 1.142 37 L HN 0.507 nan 8.230 nan 0.000 0.473 38 T N 4.162 118.753 114.554 0.062 0.000 2.860 38 T HA 0.118 4.467 4.350 -0.000 0.000 0.299 38 T C -1.426 173.340 174.700 0.109 0.000 1.045 38 T CA -1.332 60.812 62.100 0.072 0.000 1.071 38 T CB 1.222 70.184 68.868 0.156 0.000 0.985 38 T HN 0.399 nan 8.240 nan 0.000 0.537 39 P HA -0.122 nan 4.420 nan 0.000 0.216 39 P C 1.608 178.981 177.300 0.122 0.000 1.157 39 P CA 1.060 64.222 63.100 0.102 0.000 0.880 39 P CB 0.096 31.856 31.700 0.102 0.000 0.791 40 R N -0.043 120.550 120.500 0.156 0.000 2.092 40 R HA -0.130 4.209 4.340 -0.000 0.000 0.231 40 R C 2.172 178.585 176.300 0.189 0.000 1.119 40 R CA 1.526 57.708 56.100 0.136 0.000 0.970 40 R CB -0.479 29.872 30.300 0.084 0.000 0.864 40 R HN 0.250 nan 8.270 nan 0.000 0.440 41 Q N 0.208 120.146 119.800 0.230 0.000 2.226 41 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 41 Q C 2.161 178.320 176.000 0.266 0.000 0.975 41 Q CA 1.116 57.099 55.803 0.301 0.000 0.866 41 Q CB 0.045 28.961 28.738 0.298 0.000 0.915 41 Q HN 0.368 nan 8.270 nan 0.000 0.440 42 L N -0.736 120.593 121.223 0.175 0.000 2.072 42 L HA -0.208 4.132 4.340 -0.000 0.000 0.205 42 L C 2.328 179.255 176.870 0.094 0.000 1.079 42 L CA 0.724 55.635 54.840 0.118 0.000 0.752 42 L CB -0.228 41.873 42.059 0.070 0.000 0.906 42 L HN 0.401 nan 8.230 nan 0.000 0.436 43 C N -0.346 119.012 119.300 0.096 0.000 2.446 43 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 43 C C 2.354 177.365 174.990 0.036 0.000 1.275 43 C CA 0.382 59.434 59.018 0.056 0.000 1.727 43 C CB -0.780 26.995 27.740 0.058 0.000 2.010 43 C HN 0.547 nan 8.230 nan 0.000 0.486 44 D N 0.716 121.203 120.400 0.145 0.000 2.084 44 D HA -0.091 4.548 4.640 -0.000 0.000 0.196 44 D C 1.911 178.219 176.300 0.014 0.000 0.985 44 D CA 0.890 55.011 54.000 0.201 0.000 0.826 44 D CB -0.570 40.445 40.800 0.357 0.000 0.978 44 D HN 0.435 nan 8.370 nan 0.000 0.456 45 I N 0.848 121.468 120.570 0.083 0.000 2.335 45 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 45 I C 2.214 178.305 176.117 -0.044 0.000 1.129 45 I CA 1.316 62.636 61.300 0.034 0.000 1.402 45 I CB 0.065 38.192 38.000 0.212 0.000 1.069 45 I HN 0.016 nan 8.210 nan 0.000 0.424 46 E N 0.311 120.481 120.200 -0.050 0.000 2.106 46 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 46 E C 2.167 178.664 176.600 -0.171 0.000 0.984 46 E CA 0.897 57.251 56.400 -0.076 0.000 0.806 46 E CB 0.092 29.776 29.700 -0.026 0.000 0.750 46 E HN 0.385 nan 8.360 nan 0.000 0.458 47 L N 0.902 121.917 121.223 -0.348 0.000 2.156 47 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 47 L C 2.255 178.855 176.870 -0.449 0.000 1.095 47 L CA 1.125 55.594 54.840 -0.619 0.000 0.770 47 L CB -0.641 40.480 42.059 -1.562 0.000 0.914 47 L HN 0.336 nan 8.230 nan 0.000 0.439 48 I N -0.588 119.815 120.570 -0.278 0.000 2.193 48 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 48 I C 2.394 178.470 176.117 -0.068 0.000 1.084 48 I CA 1.042 62.303 61.300 -0.065 0.000 1.365 48 I CB -0.222 37.722 38.000 -0.093 0.000 1.064 48 I HN 0.161 nan 8.210 nan 0.000 0.410 49 L N 0.372 121.548 121.223 -0.078 0.000 2.201 49 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 49 L C 2.240 179.067 176.870 -0.071 0.000 1.105 49 L CA 1.321 56.127 54.840 -0.057 0.000 0.775 49 L CB -0.795 41.238 42.059 -0.043 0.000 0.913 49 L HN 0.379 nan 8.230 nan 0.000 0.440 50 N N -0.416 118.224 118.700 -0.100 0.000 2.120 50 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 50 N C 1.448 176.877 175.510 -0.134 0.000 1.024 50 N CA 1.179 54.158 53.050 -0.118 0.000 0.852 50 N CB 0.138 38.540 38.487 -0.142 0.000 1.003 50 N HN 0.393 nan 8.380 nan 0.000 0.424 51 G N -1.445 107.292 108.800 -0.106 0.000 2.253 51 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.209 51 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.209 51 G C 0.883 175.751 174.900 -0.053 0.000 0.997 51 G CA 0.330 45.385 45.100 -0.075 0.000 0.640 51 G HN 0.497 nan 8.290 nan 0.000 0.496 52 G N 0.094 108.817 108.800 -0.128 0.000 2.479 52 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.220 52 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.220 52 G C 1.188 176.292 174.900 0.341 0.000 1.115 52 G CA 1.154 46.235 45.100 -0.033 0.000 0.757 52 G HN 0.576 nan 8.290 nan 0.000 0.560 53 F N 1.364 121.411 119.950 0.160 0.000 2.668 53 F HA 0.236 4.763 4.527 -0.000 0.000 0.297 53 F C 0.861 176.811 175.800 0.250 0.000 1.124 53 F CA -0.992 57.225 58.000 0.363 0.000 1.353 53 F CB 0.415 39.608 39.000 0.320 0.000 0.992 53 F HN -0.064 nan 8.300 nan 0.000 0.524 54 S N 2.847 118.748 115.700 0.335 0.000 2.558 54 S HA -0.049 4.421 4.470 -0.000 0.000 0.287 54 S C -1.323 173.432 174.600 0.259 0.000 1.321 54 S CA -0.582 57.732 58.200 0.189 0.000 1.048 54 S CB 0.447 63.732 63.200 0.141 0.000 0.844 54 S HN 0.195 nan 8.310 nan 0.000 0.512 55 P HA 0.143 nan 4.420 nan 0.000 0.257 55 P C -0.156 177.069 177.300 -0.125 0.000 1.325 55 P CA 0.028 63.098 63.100 -0.049 0.000 0.850 55 P CB 0.046 31.692 31.700 -0.089 0.000 1.324 56 L N 0.152 121.246 121.223 -0.214 0.000 2.506 56 L HA 0.043 4.383 4.340 -0.000 0.000 0.281 56 L C 1.036 177.842 176.870 -0.108 0.000 1.228 56 L CA 0.959 55.654 54.840 -0.242 0.000 0.850 56 L CB -0.248 41.618 42.059 -0.323 0.000 1.110 56 L HN -0.056 nan 8.230 nan 0.000 0.496 57 T N 0.516 115.010 114.554 -0.101 0.000 3.332 57 T HA 0.397 4.747 4.350 -0.000 0.000 0.304 57 T C 0.246 174.922 174.700 -0.040 0.000 0.971 57 T CA 0.167 62.234 62.100 -0.056 0.000 0.954 57 T CB 0.813 69.656 68.868 -0.043 0.000 1.175 57 T HN 0.944 nan 8.240 nan 0.000 0.519 58 G N 0.704 109.461 108.800 -0.072 0.000 2.321 58 G HA2 0.466 4.426 3.960 -0.000 0.000 0.296 58 G HA3 0.466 4.426 3.960 -0.000 0.000 0.296 58 G C -1.817 173.023 174.900 -0.101 0.000 1.287 58 G CA -0.964 44.121 45.100 -0.025 0.000 0.846 58 G HN 0.055 nan 8.290 nan 0.000 0.508 59 F N 0.481 120.443 119.950 0.021 0.000 2.410 59 F HA 0.503 5.030 4.527 -0.000 0.000 0.334 59 F C 1.344 177.149 175.800 0.008 0.000 1.134 59 F CA -0.366 57.643 58.000 0.015 0.000 1.227 59 F CB 0.741 39.742 39.000 0.002 0.000 1.194 59 F HN 0.164 nan 8.300 nan 0.000 0.571 60 L N 2.908 124.225 121.223 0.157 0.000 2.416 60 L HA 0.105 4.445 4.340 -0.000 0.000 0.272 60 L C 0.107 177.115 176.870 0.231 0.000 1.161 60 L CA -0.553 54.363 54.840 0.126 0.000 0.845 60 L CB 0.223 42.356 42.059 0.124 0.000 1.119 60 L HN 0.699 nan 8.230 nan 0.000 0.464 61 N N 0.657 119.452 118.700 0.157 0.000 2.448 61 N HA 0.047 4.787 4.740 -0.000 0.000 0.274 61 N C 0.501 175.982 175.510 -0.048 0.000 1.239 61 N CA -0.772 52.359 53.050 0.137 0.000 0.982 61 N CB 0.419 38.929 38.487 0.039 0.000 1.199 61 N HN 0.570 nan 8.380 nan 0.000 0.576 62 E N -0.869 118.968 120.200 -0.605 0.000 2.209 62 E HA -0.304 4.046 4.350 -0.000 0.000 0.196 62 E C 1.059 177.530 176.600 -0.216 0.000 0.993 62 E CA 1.156 57.056 56.400 -0.834 0.000 0.819 62 E CB -0.099 28.931 29.700 -1.117 0.000 0.745 62 E HN 0.624 nan 8.360 nan 0.000 0.477 63 N N 0.711 119.328 118.700 -0.138 0.000 2.062 63 N HA -0.156 4.583 4.740 -0.000 0.000 0.191 63 N C 1.398 176.895 175.510 -0.021 0.000 1.042 63 N CA 1.936 54.947 53.050 -0.065 0.000 0.845 63 N CB -0.138 38.314 38.487 -0.057 0.000 1.024 63 N HN 0.125 nan 8.380 nan 0.000 0.424 64 D N -0.904 119.495 120.400 -0.003 0.000 2.117 64 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 64 D C 1.653 177.985 176.300 0.055 0.000 0.982 64 D CA 0.707 54.707 54.000 0.000 0.000 0.828 64 D CB -0.491 40.287 40.800 -0.035 0.000 0.967 64 D HN 0.359 nan 8.370 nan 0.000 0.464 65 Y N 2.254 122.557 120.300 0.004 0.000 2.014 65 Y HA -0.308 4.242 4.550 -0.000 0.000 0.272 65 Y C 2.506 178.436 175.900 0.050 0.000 1.164 65 Y CA 2.123 60.270 58.100 0.080 0.000 1.114 65 Y CB -0.559 38.040 38.460 0.231 0.000 0.961 65 Y HN -0.156 nan 8.280 nan 0.000 0.489 66 S N -0.693 114.977 115.700 -0.050 0.000 2.400 66 S HA -0.249 4.221 4.470 -0.000 0.000 0.232 66 S C 2.248 176.757 174.600 -0.151 0.000 1.025 66 S CA 1.291 59.390 58.200 -0.168 0.000 0.993 66 S CB -0.724 62.465 63.200 -0.018 0.000 0.808 66 S HN 0.620 nan 8.310 nan 0.000 0.478 67 S N 0.747 116.395 115.700 -0.085 0.000 2.368 67 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 67 S C 1.908 176.461 174.600 -0.078 0.000 1.030 67 S CA 1.241 59.403 58.200 -0.064 0.000 0.999 67 S CB -0.352 62.825 63.200 -0.037 0.000 0.844 67 S HN 0.313 nan 8.310 nan 0.000 0.459 68 V N 1.480 121.342 119.914 -0.088 0.000 2.295 68 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 68 V C 2.495 178.491 176.094 -0.162 0.000 1.049 68 V CA 1.824 64.080 62.300 -0.074 0.000 1.024 68 V CB -0.720 31.098 31.823 -0.007 0.000 0.648 68 V HN 0.419 nan 8.190 nan 0.000 0.447 69 V N 0.856 120.600 119.914 -0.283 0.000 2.287 69 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 69 V C 2.723 178.704 176.094 -0.189 0.000 1.053 69 V CA 2.776 64.891 62.300 -0.307 0.000 1.027 69 V CB -1.147 30.410 31.823 -0.444 0.000 0.646 69 V HN 0.843 nan 8.190 nan 0.000 0.447 70 T N -2.858 111.610 114.554 -0.143 0.000 2.852 70 T HA -0.060 4.290 4.350 -0.000 0.000 0.256 70 T C 1.199 175.866 174.700 -0.055 0.000 1.038 70 T CA 1.188 63.237 62.100 -0.085 0.000 1.141 70 T CB -0.156 68.674 68.868 -0.063 0.000 0.869 70 T HN 0.442 nan 8.240 nan 0.000 0.439 71 D N 0.945 121.315 120.400 -0.049 0.000 2.462 71 D HA 0.296 4.936 4.640 -0.000 0.000 0.221 71 D C 0.126 176.414 176.300 -0.020 0.000 1.173 71 D CA -0.021 53.968 54.000 -0.019 0.000 0.831 71 D CB 0.376 41.171 40.800 -0.008 0.000 1.001 71 D HN 0.281 nan 8.370 nan 0.000 0.499 72 S N 0.628 116.299 115.700 -0.050 0.000 3.477 72 S HA -0.252 4.218 4.470 -0.000 0.000 0.357 72 S C 0.423 174.994 174.600 -0.048 0.000 1.083 72 S CA 0.952 59.111 58.200 -0.068 0.000 1.042 72 S CB -0.758 62.403 63.200 -0.065 0.000 0.911 72 S HN 0.450 nan 8.310 nan 0.000 0.490 73 R N -1.024 119.470 120.500 -0.010 0.000 2.836 73 R HA 0.701 5.041 4.340 -0.000 0.000 0.269 73 R C -0.389 175.930 176.300 0.031 0.000 1.010 73 R CA -0.983 55.131 56.100 0.025 0.000 0.930 73 R CB 1.028 31.329 30.300 0.002 0.000 1.218 73 R HN 0.113 nan 8.270 nan 0.000 0.473 74 L N 1.035 122.277 121.223 0.032 0.000 2.421 74 L HA 0.305 4.644 4.340 -0.000 0.000 0.263 74 L C 1.601 178.453 176.870 -0.029 0.000 1.122 74 L CA -0.110 54.716 54.840 -0.023 0.000 0.804 74 L CB 1.132 43.144 42.059 -0.078 0.000 1.150 74 L HN 0.893 nan 8.230 nan 0.000 0.457 75 A N 1.398 124.194 122.820 -0.039 0.000 1.929 75 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 75 A C 1.587 179.152 177.584 -0.031 0.000 1.211 75 A CA 2.305 54.322 52.037 -0.034 0.000 0.657 75 A CB -0.754 18.223 19.000 -0.037 0.000 0.827 75 A HN 0.956 nan 8.150 nan 0.000 0.462 76 D N -1.594 118.783 120.400 -0.038 0.000 2.332 76 D HA 0.258 4.897 4.640 -0.000 0.000 0.244 76 D C 1.187 177.470 176.300 -0.028 0.000 1.136 76 D CA 1.258 55.237 54.000 -0.035 0.000 0.884 76 D CB -0.572 40.201 40.800 -0.045 0.000 0.906 76 D HN 0.907 nan 8.370 nan 0.000 0.520 77 G N 0.273 109.061 108.800 -0.020 0.000 2.579 77 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 77 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 77 G C 0.622 175.521 174.900 -0.003 0.000 1.201 77 G CA 0.239 45.334 45.100 -0.009 0.000 0.710 77 G HN 0.499 nan 8.290 nan 0.000 0.516 78 T N 2.954 117.497 114.554 -0.017 0.000 2.781 78 T HA 0.200 4.550 4.350 -0.000 0.000 0.270 78 T C 0.941 175.690 174.700 0.082 0.000 1.022 78 T CA 0.431 62.523 62.100 -0.013 0.000 1.144 78 T CB 0.402 69.227 68.868 -0.072 0.000 1.039 78 T HN 0.504 nan 8.240 nan 0.000 0.494 79 L N 4.170 125.472 121.223 0.132 0.000 2.499 79 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 79 L C 0.150 177.207 176.870 0.312 0.000 1.195 79 L CA 0.341 55.246 54.840 0.110 0.000 0.882 79 L CB 0.189 42.236 42.059 -0.020 0.000 1.133 79 L HN 0.676 nan 8.230 nan 0.000 0.483 80 W N 3.829 125.072 121.300 -0.096 0.000 3.698 80 W HA 0.059 4.719 4.660 -0.000 0.000 0.315 80 W C 0.255 176.665 176.519 -0.183 0.000 1.129 80 W CA -0.364 56.918 57.345 -0.105 0.000 1.299 80 W CB 1.539 30.954 29.460 -0.075 0.000 1.181 80 W HN 0.654 nan 8.180 nan 0.000 0.423 81 T N 0.975 115.236 114.554 -0.490 0.000 3.040 81 T HA 0.238 4.588 4.350 -0.000 0.000 0.252 81 T C 0.711 175.131 174.700 -0.465 0.000 1.064 81 T CA 0.435 62.309 62.100 -0.377 0.000 1.110 81 T CB 0.690 69.374 68.868 -0.305 0.000 0.921 81 T HN 0.143 nan 8.240 nan 0.000 0.480 82 I N 3.138 123.233 120.570 -0.791 0.000 2.354 82 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 82 I C -2.869 173.024 176.117 -0.373 0.000 0.989 82 I CA -3.275 57.562 61.300 -0.772 0.000 1.188 82 I CB 1.241 38.336 38.000 -1.508 0.000 1.342 82 I HN -0.065 nan 8.210 nan 0.000 0.457 83 P HA 0.180 nan 4.420 nan 0.000 0.273 83 P C -0.410 176.926 177.300 0.060 0.000 1.319 83 P CA -0.151 62.994 63.100 0.074 0.000 0.885 83 P CB 0.020 31.829 31.700 0.181 0.000 1.015 84 I N 4.356 124.975 120.570 0.083 0.000 2.294 84 I HA 0.200 4.370 4.170 -0.000 0.000 0.295 84 I C 0.980 177.173 176.117 0.126 0.000 1.098 84 I CA 0.206 61.553 61.300 0.078 0.000 1.277 84 I CB -0.222 37.812 38.000 0.057 0.000 1.434 84 I HN 0.270 nan 8.210 nan 0.000 0.498 85 T N 3.872 118.491 114.554 0.109 0.000 2.906 85 T HA 0.578 4.928 4.350 -0.000 0.000 0.295 85 T C -0.668 174.053 174.700 0.035 0.000 1.075 85 T CA -0.849 61.275 62.100 0.040 0.000 1.005 85 T CB 2.235 70.720 68.868 -0.637 0.000 1.136 85 T HN 0.189 nan 8.240 nan 0.000 0.498 86 L N 3.743 124.828 121.223 -0.230 0.000 2.282 86 L HA 0.342 4.682 4.340 -0.000 0.000 0.287 86 L C -0.297 176.336 176.870 -0.395 0.000 1.075 86 L CA -0.457 54.017 54.840 -0.609 0.000 0.839 86 L CB -0.007 41.329 42.059 -1.205 0.000 1.219 86 L HN 0.755 nan 8.230 nan 0.000 0.434 87 D N 5.132 125.393 120.400 -0.231 0.000 2.325 87 D HA 0.240 4.880 4.640 -0.000 0.000 0.251 87 D C -0.367 175.890 176.300 -0.072 0.000 1.196 87 D CA -0.249 53.726 54.000 -0.042 0.000 0.866 87 D CB 1.558 42.406 40.800 0.080 0.000 1.101 87 D HN 0.215 nan 8.370 nan 0.000 0.476 88 V N 1.927 121.775 119.914 -0.111 0.000 2.960 88 V HA 0.208 4.328 4.120 -0.000 0.000 0.315 88 V C 0.325 176.472 176.094 0.088 0.000 1.087 88 V CA -1.048 61.119 62.300 -0.222 0.000 0.982 88 V CB 2.031 33.524 31.823 -0.549 0.000 1.039 88 V HN 0.681 nan 8.190 nan 0.000 0.437 89 D N 0.787 121.286 120.400 0.165 0.000 2.377 89 D HA 0.055 4.695 4.640 -0.000 0.000 0.245 89 D C 0.836 177.174 176.300 0.063 0.000 1.196 89 D CA -0.328 53.787 54.000 0.191 0.000 0.962 89 D CB 1.453 42.372 40.800 0.198 0.000 1.127 89 D HN 0.733 nan 8.370 nan 0.000 0.471 90 E N 0.492 120.695 120.200 0.005 0.000 2.038 90 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 90 E C 2.009 178.451 176.600 -0.264 0.000 1.000 90 E CA 1.549 57.729 56.400 -0.366 0.000 0.803 90 E CB -0.319 29.327 29.700 -0.089 0.000 0.750 90 E HN 0.579 nan 8.360 nan 0.000 0.448 91 A N 0.736 123.519 122.820 -0.062 0.000 1.884 91 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 91 A C 2.108 179.688 177.584 -0.006 0.000 1.197 91 A CA 1.846 53.871 52.037 -0.019 0.000 0.637 91 A CB -1.220 17.812 19.000 0.052 0.000 0.827 91 A HN 0.563 nan 8.150 nan 0.000 0.450 92 F N 0.718 120.634 119.950 -0.058 0.000 2.216 92 F HA -0.024 4.503 4.527 -0.000 0.000 0.300 92 F C 2.467 178.180 175.800 -0.145 0.000 1.085 92 F CA 1.040 59.014 58.000 -0.044 0.000 1.326 92 F CB -0.254 38.776 39.000 0.050 0.000 1.027 92 F HN 0.251 nan 8.300 nan 0.000 0.497 93 A N 0.046 122.770 122.820 -0.159 0.000 1.972 93 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 93 A C 1.885 179.292 177.584 -0.295 0.000 1.169 93 A CA 1.690 53.559 52.037 -0.281 0.000 0.635 93 A CB -0.732 17.965 19.000 -0.504 0.000 0.810 93 A HN 0.464 nan 8.150 nan 0.000 0.446 94 N N -0.304 118.230 118.700 -0.275 0.000 2.461 94 N HA -0.030 4.709 4.740 -0.000 0.000 0.188 94 N C 1.077 176.467 175.510 -0.201 0.000 1.134 94 N CA 0.578 53.504 53.050 -0.206 0.000 0.878 94 N CB 0.080 38.470 38.487 -0.162 0.000 0.972 94 N HN 0.678 nan 8.380 nan 0.000 0.456 95 Q N 0.172 119.797 119.800 -0.291 0.000 2.282 95 Q HA 0.255 4.595 4.340 -0.000 0.000 0.206 95 Q C 0.355 176.167 176.000 -0.313 0.000 0.878 95 Q CA 0.100 55.729 55.803 -0.290 0.000 0.944 95 Q CB 0.798 29.324 28.738 -0.354 0.000 1.100 95 Q HN 0.408 nan 8.270 nan 0.000 0.509 96 I N -1.576 118.801 120.570 -0.322 0.000 2.646 96 I HA 0.591 4.761 4.170 -0.000 0.000 0.299 96 I C -0.863 175.169 176.117 -0.141 0.000 1.036 96 I CA -1.192 59.961 61.300 -0.245 0.000 1.074 96 I CB 1.919 39.742 38.000 -0.294 0.000 1.258 96 I HN -0.163 nan 8.210 nan 0.000 0.430 97 K N 3.003 123.348 120.400 -0.092 0.000 2.495 97 K HA 0.711 5.031 4.320 -0.000 0.000 0.268 97 K C -3.206 173.376 176.600 -0.030 0.000 1.008 97 K CA -1.993 54.263 56.287 -0.052 0.000 0.882 97 K CB 1.323 33.795 32.500 -0.047 0.000 1.443 97 K HN 0.222 nan 8.250 nan 0.000 0.447 98 P HA -0.060 nan 4.420 nan 0.000 0.266 98 P C -0.642 176.656 177.300 -0.004 0.000 1.193 98 P CA 0.735 63.834 63.100 -0.001 0.000 0.770 98 P CB 0.174 31.876 31.700 0.003 0.000 0.836 99 D N -1.842 118.561 120.400 0.004 0.000 2.837 99 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 99 D C -0.237 176.065 176.300 0.004 0.000 1.033 99 D CA 1.235 55.238 54.000 0.005 0.000 1.021 99 D CB -1.673 39.128 40.800 0.001 0.000 1.101 99 D HN 0.378 nan 8.370 nan 0.000 0.431 100 T N 1.774 116.325 114.554 -0.005 0.000 2.916 100 T HA 0.220 4.570 4.350 -0.000 0.000 0.303 100 T C 0.778 175.486 174.700 0.013 0.000 1.025 100 T CA 0.159 62.253 62.100 -0.010 0.000 1.142 100 T CB 0.965 69.809 68.868 -0.040 0.000 0.947 100 T HN 0.052 nan 8.240 nan 0.000 0.544 101 R N 2.643 123.157 120.500 0.025 0.000 2.346 101 R HA 0.521 4.860 4.340 -0.000 0.000 0.311 101 R C -0.517 175.829 176.300 0.078 0.000 0.983 101 R CA -0.818 55.312 56.100 0.050 0.000 0.880 101 R CB 1.051 31.380 30.300 0.048 0.000 1.100 101 R HN 0.415 nan 8.270 nan 0.000 0.453 102 I N 1.589 122.226 120.570 0.111 0.000 2.603 102 I HA 0.396 4.566 4.170 -0.000 0.000 0.300 102 I C 0.105 176.344 176.117 0.202 0.000 1.017 102 I CA -1.063 60.344 61.300 0.178 0.000 1.098 102 I CB 1.828 39.962 38.000 0.224 0.000 1.279 102 I HN 0.645 nan 8.210 nan 0.000 0.437 103 A N 7.113 130.097 122.820 0.273 0.000 2.249 103 A HA 0.701 5.021 4.320 -0.000 0.000 0.314 103 A C -0.511 177.341 177.584 0.446 0.000 1.290 103 A CA -0.495 51.747 52.037 0.340 0.000 0.893 103 A CB 0.308 19.600 19.000 0.486 0.000 1.165 103 A HN 0.656 nan 8.150 nan 0.000 0.530 104 L N 3.200 124.615 121.223 0.320 0.000 2.257 104 L HA 0.462 4.802 4.340 -0.000 0.000 0.290 104 L C -0.919 176.105 176.870 0.256 0.000 1.044 104 L CA -0.206 54.834 54.840 0.333 0.000 0.810 104 L CB 0.401 42.608 42.059 0.247 0.000 1.193 104 L HN 0.590 nan 8.230 nan 0.000 0.425 105 F N 1.367 121.342 119.950 0.041 0.000 2.483 105 F HA 0.432 4.959 4.527 -0.000 0.000 0.329 105 F C 0.383 176.161 175.800 -0.037 0.000 1.064 105 F CA -0.643 57.354 58.000 -0.006 0.000 0.986 105 F CB 1.667 40.651 39.000 -0.028 0.000 1.218 105 F HN 0.394 nan 8.300 nan 0.000 0.484 106 Q N 1.576 121.443 119.800 0.112 0.000 2.333 106 Q HA 0.281 4.620 4.340 -0.000 0.000 0.265 106 Q C -0.987 175.049 176.000 0.059 0.000 0.989 106 Q CA -0.474 55.354 55.803 0.041 0.000 0.842 106 Q CB 0.958 29.684 28.738 -0.020 0.000 1.262 106 Q HN 0.736 nan 8.270 nan 0.000 0.451 107 D N 3.632 124.046 120.400 0.023 0.000 2.911 107 D HA -0.213 4.426 4.640 -0.000 0.000 0.227 107 D C -0.661 175.653 176.300 0.024 0.000 1.164 107 D CA 1.555 55.564 54.000 0.014 0.000 0.782 107 D CB -0.715 40.102 40.800 0.029 0.000 1.094 107 D HN 0.972 nan 8.370 nan 0.000 0.425 108 D N -1.484 118.935 120.400 0.031 0.000 3.077 108 D HA -0.248 4.392 4.640 -0.000 0.000 0.217 108 D C 1.025 177.377 176.300 0.087 0.000 1.162 108 D CA 1.658 55.656 54.000 -0.003 0.000 0.943 108 D CB -1.110 39.648 40.800 -0.071 0.000 1.122 108 D HN 0.834 nan 8.370 nan 0.000 0.413 109 E N -0.709 119.635 120.200 0.242 0.000 2.703 109 E HA 0.236 4.586 4.350 -0.000 0.000 0.214 109 E C 0.497 177.269 176.600 0.286 0.000 0.944 109 E CA -0.231 56.338 56.400 0.281 0.000 1.299 109 E CB 0.624 30.397 29.700 0.123 0.000 1.189 109 E HN 0.151 nan 8.360 nan 0.000 0.597 110 I N 3.016 123.698 120.570 0.187 0.000 2.382 110 I HA 0.351 4.520 4.170 -0.000 0.000 0.286 110 I C -2.563 173.286 176.117 -0.446 0.000 1.002 110 I CA -2.725 58.531 61.300 -0.073 0.000 1.135 110 I CB 1.733 39.700 38.000 -0.057 0.000 1.288 110 I HN -0.224 nan 8.210 nan 0.000 0.448 111 P HA 0.108 nan 4.420 nan 0.000 0.269 111 P C 0.341 177.380 177.300 -0.436 0.000 1.252 111 P CA 0.051 62.611 63.100 -0.900 0.000 0.780 111 P CB 0.607 31.977 31.700 -0.551 0.000 0.829 112 I N 2.321 122.678 120.570 -0.355 0.000 2.685 112 I HA 0.313 4.483 4.170 -0.000 0.000 0.251 112 I C 1.015 177.081 176.117 -0.086 0.000 1.102 112 I CA 0.620 61.828 61.300 -0.154 0.000 1.442 112 I CB -1.048 36.912 38.000 -0.066 0.000 1.194 112 I HN 0.261 nan 8.210 nan 0.000 0.448 113 A N 0.496 123.287 122.820 -0.048 0.000 2.583 113 A HA 0.581 4.900 4.320 -0.000 0.000 0.292 113 A C -1.337 176.280 177.584 0.054 0.000 1.045 113 A CA -0.491 51.551 52.037 0.009 0.000 0.672 113 A CB 1.035 20.064 19.000 0.048 0.000 1.283 113 A HN -0.022 nan 8.150 nan 0.000 0.419 114 I N 1.606 122.211 120.570 0.058 0.000 2.331 114 I HA 0.421 4.591 4.170 -0.000 0.000 0.292 114 I C -0.543 175.629 176.117 0.092 0.000 0.998 114 I CA -0.382 60.967 61.300 0.082 0.000 1.267 114 I CB 1.060 39.097 38.000 0.062 0.000 1.386 114 I HN 0.619 nan 8.210 nan 0.000 0.476 115 L N 6.885 128.173 121.223 0.109 0.000 2.296 115 L HA 0.470 4.810 4.340 -0.000 0.000 0.286 115 L C 0.029 176.947 176.870 0.080 0.000 1.023 115 L CA 0.217 55.120 54.840 0.106 0.000 0.812 115 L CB 1.514 43.638 42.059 0.109 0.000 1.223 115 L HN 0.523 nan 8.230 nan 0.000 0.421 116 T N 4.937 119.533 114.554 0.069 0.000 3.005 116 T HA 0.310 4.660 4.350 -0.000 0.000 0.323 116 T C 0.119 174.848 174.700 0.048 0.000 1.131 116 T CA -0.373 61.757 62.100 0.050 0.000 0.977 116 T CB 0.038 68.930 68.868 0.040 0.000 1.055 116 T HN 0.425 nan 8.240 nan 0.000 0.562 117 V N 4.207 124.146 119.914 0.041 0.000 2.752 117 V HA -0.079 4.041 4.120 -0.000 0.000 0.306 117 V C 1.147 177.263 176.094 0.036 0.000 1.099 117 V CA 0.888 63.210 62.300 0.036 0.000 1.240 117 V CB 0.348 32.180 31.823 0.015 0.000 0.887 117 V HN 0.891 nan 8.190 nan 0.000 0.499 118 Q N 1.492 121.321 119.800 0.048 0.000 2.384 118 Q HA 0.255 4.595 4.340 -0.000 0.000 0.264 118 Q C 0.123 176.151 176.000 0.047 0.000 0.825 118 Q CA -0.062 55.765 55.803 0.040 0.000 0.984 118 Q CB 1.233 29.994 28.738 0.040 0.000 1.183 118 Q HN 0.834 nan 8.270 nan 0.000 0.537 119 D N -0.387 120.063 120.400 0.084 0.000 2.596 119 D HA 0.472 5.112 4.640 -0.000 0.000 0.234 119 D C -1.615 174.802 176.300 0.195 0.000 1.181 119 D CA -0.579 53.495 54.000 0.125 0.000 0.856 119 D CB 3.049 43.920 40.800 0.118 0.000 1.498 119 D HN -0.188 nan 8.370 nan 0.000 0.446 120 V N 3.109 123.172 119.914 0.247 0.000 2.653 120 V HA 0.394 4.514 4.120 -0.000 0.000 0.298 120 V C -1.365 174.917 176.094 0.313 0.000 1.097 120 V CA -0.735 61.693 62.300 0.213 0.000 0.908 120 V CB 1.226 33.101 31.823 0.087 0.000 1.024 120 V HN 0.524 nan 8.190 nan 0.000 0.435 121 Y N 1.519 121.838 120.300 0.030 0.000 2.625 121 Y HA 0.737 5.287 4.550 -0.000 0.000 0.338 121 Y C -0.640 175.171 175.900 -0.149 0.000 1.123 121 Y CA -2.059 56.023 58.100 -0.030 0.000 1.046 121 Y CB 1.914 40.334 38.460 -0.067 0.000 1.299 121 Y HN 0.455 nan 8.280 nan 0.000 0.464 122 K N 3.115 123.406 120.400 -0.183 0.000 2.423 122 K HA 0.501 4.820 4.320 -0.000 0.000 0.234 122 K C -2.780 173.594 176.600 -0.376 0.000 1.051 122 K CA -1.750 54.226 56.287 -0.519 0.000 1.021 122 K CB 0.299 32.456 32.500 -0.571 0.000 1.474 122 K HN 0.506 nan 8.250 nan 0.000 0.474 123 P HA -0.082 nan 4.420 nan 0.000 0.267 123 P C -0.949 176.222 177.300 -0.215 0.000 1.201 123 P CA -0.059 62.851 63.100 -0.317 0.000 0.775 123 P CB 0.437 31.695 31.700 -0.737 0.000 0.854 124 N N 1.387 120.069 118.700 -0.031 0.000 2.482 124 N HA 0.013 4.753 4.740 -0.000 0.000 0.242 124 N C 0.773 176.288 175.510 0.009 0.000 1.100 124 N CA -0.352 52.694 53.050 -0.006 0.000 0.946 124 N CB 0.076 38.589 38.487 0.043 0.000 1.227 124 N HN 0.226 nan 8.380 nan 0.000 0.508 125 K N 1.207 121.565 120.400 -0.071 0.000 2.362 125 K HA -0.072 4.247 4.320 -0.000 0.000 0.200 125 K C 1.176 177.809 176.600 0.054 0.000 1.046 125 K CA 1.040 57.228 56.287 -0.165 0.000 0.952 125 K CB 0.213 32.355 32.500 -0.597 0.000 0.753 125 K HN 0.535 nan 8.250 nan 0.000 0.466 126 T N 1.251 115.935 114.554 0.217 0.000 2.942 126 T HA 0.024 4.373 4.350 -0.000 0.000 0.265 126 T C 1.805 176.614 174.700 0.183 0.000 1.062 126 T CA 0.738 63.019 62.100 0.301 0.000 1.139 126 T CB 0.026 69.021 68.868 0.212 0.000 0.883 126 T HN 0.150 nan 8.240 nan 0.000 0.468 127 I N 0.679 121.321 120.570 0.120 0.000 2.480 127 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 127 I C 2.682 178.839 176.117 0.066 0.000 1.124 127 I CA 0.931 62.278 61.300 0.078 0.000 1.444 127 I CB -0.247 37.784 38.000 0.053 0.000 1.098 127 I HN 0.254 nan 8.210 nan 0.000 0.428 128 E N 1.786 122.042 120.200 0.093 0.000 2.051 128 E HA -0.240 4.109 4.350 -0.000 0.000 0.192 128 E C 2.299 178.986 176.600 0.145 0.000 0.991 128 E CA 1.414 57.869 56.400 0.093 0.000 0.799 128 E CB -0.023 29.812 29.700 0.225 0.000 0.748 128 E HN 0.440 nan 8.360 nan 0.000 0.449 129 A N 0.737 123.702 122.820 0.243 0.000 1.978 129 A HA -0.235 4.084 4.320 -0.000 0.000 0.220 129 A C 1.980 179.705 177.584 0.234 0.000 1.170 129 A CA 1.893 54.144 52.037 0.356 0.000 0.636 129 A CB -0.478 18.769 19.000 0.412 0.000 0.810 129 A HN 0.350 nan 8.150 nan 0.000 0.448 130 E N 0.154 120.440 120.200 0.144 0.000 2.024 130 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 130 E C 1.932 178.545 176.600 0.021 0.000 0.974 130 E CA 1.559 58.010 56.400 0.085 0.000 0.810 130 E CB -0.258 29.486 29.700 0.074 0.000 0.775 130 E HN 0.498 nan 8.360 nan 0.000 0.453 131 K N -0.242 120.146 120.400 -0.021 0.000 2.217 131 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 131 K C 1.997 178.503 176.600 -0.158 0.000 1.051 131 K CA 1.150 57.394 56.287 -0.072 0.000 0.952 131 K CB 0.226 32.678 32.500 -0.081 0.000 0.736 131 K HN 0.068 nan 8.250 nan 0.000 0.453 132 V N -0.233 119.510 119.914 -0.286 0.000 2.492 132 V HA -0.058 4.061 4.120 -0.000 0.000 0.241 132 V C 1.241 176.913 176.094 -0.702 0.000 1.041 132 V CA 1.254 63.184 62.300 -0.617 0.000 1.057 132 V CB -0.197 30.997 31.823 -1.048 0.000 0.711 132 V HN 0.137 nan 8.190 nan 0.000 0.468 133 F N -0.431 119.466 119.950 -0.088 0.000 2.654 133 F HA 0.455 4.981 4.527 -0.000 0.000 0.303 133 F C 1.327 177.039 175.800 -0.148 0.000 1.099 133 F CA -0.333 57.540 58.000 -0.211 0.000 1.270 133 F CB 0.062 38.744 39.000 -0.531 0.000 1.024 133 F HN -0.082 nan 8.300 nan 0.000 0.548 134 R N -0.528 120.007 120.500 0.059 0.000 3.840 134 R HA -0.214 4.126 4.340 -0.000 0.000 0.464 134 R C 1.563 177.919 176.300 0.093 0.000 0.986 134 R CA 0.476 56.611 56.100 0.057 0.000 1.305 134 R CB -2.111 28.195 30.300 0.009 0.000 1.950 134 R HN 0.635 nan 8.270 nan 0.000 0.526 135 G N 0.663 109.541 108.800 0.130 0.000 2.417 135 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.233 135 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.233 135 G C -0.003 174.998 174.900 0.168 0.000 1.103 135 G CA 0.344 45.531 45.100 0.145 0.000 0.647 135 G HN 0.459 nan 8.290 nan 0.000 0.512 136 D N 2.800 123.320 120.400 0.199 0.000 2.536 136 D HA 0.248 4.888 4.640 -0.000 0.000 0.260 136 D C -0.273 176.194 176.300 0.279 0.000 1.270 136 D CA -0.885 53.258 54.000 0.239 0.000 0.934 136 D CB 0.788 41.786 40.800 0.330 0.000 1.129 136 D HN 0.213 nan 8.370 nan 0.000 0.533 137 P HA -0.167 nan 4.420 nan 0.000 0.218 137 P C 0.503 177.917 177.300 0.191 0.000 1.146 137 P CA 1.166 64.354 63.100 0.147 0.000 0.820 137 P CB 0.172 31.909 31.700 0.061 0.000 0.778 138 E N -2.457 117.901 120.200 0.263 0.000 2.511 138 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 138 E C 0.673 177.425 176.600 0.254 0.000 1.066 138 E CA -0.054 56.518 56.400 0.287 0.000 0.871 138 E CB -0.371 29.533 29.700 0.341 0.000 0.863 138 E HN 0.410 nan 8.360 nan 0.000 0.520 139 H N 1.364 120.493 119.070 0.098 0.000 2.899 139 H HA 0.030 4.586 4.556 -0.000 0.000 0.303 139 H C -1.825 173.392 175.328 -0.184 0.000 1.042 139 H CA -2.078 53.810 56.048 -0.266 0.000 1.479 139 H CB 1.276 30.978 29.762 -0.100 0.000 1.493 139 H HN -0.142 nan 8.280 nan 0.000 0.534 140 P HA -0.205 nan 4.420 nan 0.000 0.218 140 P C 0.950 178.277 177.300 0.045 0.000 1.152 140 P CA 2.367 65.452 63.100 -0.024 0.000 0.857 140 P CB 0.198 31.822 31.700 -0.128 0.000 0.787 141 A N -1.431 121.431 122.820 0.069 0.000 1.930 141 A HA -0.068 4.251 4.320 -0.000 0.000 0.215 141 A C 2.156 179.464 177.584 -0.461 0.000 1.176 141 A CA 0.991 52.771 52.037 -0.427 0.000 0.632 141 A CB -1.263 17.026 19.000 -1.184 0.000 0.819 141 A HN 0.110 nan 8.150 nan 0.000 0.445 142 I N -0.950 119.458 120.570 -0.269 0.000 2.439 142 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 142 I C 2.751 179.006 176.117 0.230 0.000 1.139 142 I CA 1.194 62.498 61.300 0.007 0.000 1.438 142 I CB -0.139 37.957 38.000 0.159 0.000 1.085 142 I HN 0.381 nan 8.210 nan 0.000 0.427 143 S N 0.315 116.121 115.700 0.177 0.000 2.348 143 S HA -0.258 4.211 4.470 -0.000 0.000 0.221 143 S C 2.161 176.879 174.600 0.196 0.000 1.033 143 S CA 1.387 59.703 58.200 0.194 0.000 1.010 143 S CB -0.401 62.882 63.200 0.139 0.000 0.891 143 S HN 0.473 nan 8.310 nan 0.000 0.442 144 Y N 1.604 121.923 120.300 0.032 0.000 2.128 144 Y HA -0.158 4.392 4.550 -0.000 0.000 0.284 144 Y C 2.134 178.042 175.900 0.013 0.000 1.154 144 Y CA 1.858 59.969 58.100 0.018 0.000 1.149 144 Y CB -0.557 37.892 38.460 -0.019 0.000 0.976 144 Y HN 0.332 nan 8.280 nan 0.000 0.505 145 L N -0.338 120.990 121.223 0.175 0.000 2.021 145 L HA -0.295 4.045 4.340 -0.000 0.000 0.215 145 L C 1.902 178.678 176.870 -0.157 0.000 1.074 145 L CA 2.146 56.984 54.840 -0.002 0.000 0.760 145 L CB -1.064 40.904 42.059 -0.152 0.000 0.889 145 L HN 0.288 nan 8.230 nan 0.000 0.433 146 F N -0.901 119.067 119.950 0.030 0.000 2.262 146 F HA -0.001 4.526 4.527 -0.000 0.000 0.292 146 F C 2.262 178.045 175.800 -0.028 0.000 1.081 146 F CA 0.987 58.991 58.000 0.008 0.000 1.355 146 F CB -0.403 38.608 39.000 0.019 0.000 1.069 146 F HN 0.140 nan 8.300 nan 0.000 0.506 147 N N -0.317 118.464 118.700 0.135 0.000 2.422 147 N HA 0.026 4.766 4.740 -0.000 0.000 0.181 147 N C 1.365 176.818 175.510 -0.096 0.000 1.080 147 N CA 0.748 53.816 53.050 0.031 0.000 0.893 147 N CB 0.875 39.385 38.487 0.039 0.000 0.973 147 N HN 0.168 nan 8.380 nan 0.000 0.456 148 V N -0.115 119.638 119.914 -0.268 0.000 3.159 148 V HA 0.300 4.420 4.120 -0.000 0.000 0.234 148 V C 0.779 176.629 176.094 -0.408 0.000 1.313 148 V CA 0.003 62.024 62.300 -0.465 0.000 1.271 148 V CB -0.163 31.053 31.823 -1.012 0.000 1.053 148 V HN 0.084 nan 8.190 nan 0.000 0.476 149 A N 1.213 123.789 122.820 -0.407 0.000 2.498 149 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 149 A C 0.963 178.553 177.584 0.011 0.000 1.068 149 A CA 0.696 52.689 52.037 -0.072 0.000 0.766 149 A CB -0.257 18.808 19.000 0.109 0.000 1.003 149 A HN 0.501 nan 8.150 nan 0.000 0.497 150 G N -0.123 108.731 108.800 0.089 0.000 2.683 150 G HA2 0.333 4.293 3.960 -0.000 0.000 0.260 150 G HA3 0.333 4.293 3.960 -0.000 0.000 0.260 150 G C 0.049 174.992 174.900 0.072 0.000 1.238 150 G CA -0.047 45.119 45.100 0.109 0.000 0.934 150 G HN 0.695 nan 8.290 nan 0.000 0.534 151 D N -1.401 119.028 120.400 0.049 0.000 2.369 151 D HA 0.092 4.732 4.640 -0.000 0.000 0.211 151 D C -0.549 175.438 176.300 -0.522 0.000 1.077 151 D CA 0.582 54.453 54.000 -0.215 0.000 0.842 151 D CB 0.530 41.191 40.800 -0.232 0.000 0.947 151 D HN 0.291 nan 8.370 nan 0.000 0.509 152 Y N 0.620 120.831 120.300 -0.149 0.000 2.338 152 Y HA 0.240 4.790 4.550 -0.000 0.000 0.328 152 Y C -0.275 175.526 175.900 -0.165 0.000 0.965 152 Y CA -1.110 56.856 58.100 -0.223 0.000 1.208 152 Y CB 0.689 39.064 38.460 -0.142 0.000 1.132 152 Y HN -0.176 nan 8.280 nan 0.000 0.469 153 Y N 2.324 122.293 120.300 -0.551 0.000 2.316 153 Y HA 0.399 4.948 4.550 -0.000 0.000 0.331 153 Y C 0.050 175.656 175.900 -0.490 0.000 1.083 153 Y CA -1.553 56.160 58.100 -0.644 0.000 1.206 153 Y CB 0.997 38.808 38.460 -1.083 0.000 1.195 153 Y HN 0.214 nan 8.280 nan 0.000 0.497 154 V N 3.908 123.740 119.914 -0.137 0.000 2.313 154 V HA 0.508 4.628 4.120 -0.000 0.000 0.278 154 V C 0.606 176.722 176.094 0.037 0.000 1.017 154 V CA -1.018 61.246 62.300 -0.059 0.000 0.823 154 V CB 1.002 32.734 31.823 -0.151 0.000 1.010 154 V HN 0.925 nan 8.190 nan 0.000 0.443 155 G N 2.722 111.637 108.800 0.192 0.000 2.476 155 G HA2 0.715 4.675 3.960 -0.000 0.000 0.269 155 G HA3 0.715 4.675 3.960 -0.000 0.000 0.269 155 G C 0.077 175.059 174.900 0.137 0.000 1.195 155 G CA 0.169 45.395 45.100 0.210 0.000 0.843 155 G HN 1.273 nan 8.290 nan 0.000 0.545 156 G N -0.908 107.978 108.800 0.143 0.000 2.340 156 G HA2 0.549 4.509 3.960 -0.000 0.000 0.300 156 G HA3 0.549 4.509 3.960 -0.000 0.000 0.300 156 G C -0.379 174.592 174.900 0.120 0.000 1.488 156 G CA 0.103 45.269 45.100 0.110 0.000 0.878 156 G HN 1.474 nan 8.290 nan 0.000 0.618 157 S N -0.769 114.980 115.700 0.082 0.000 2.632 157 S HA 0.846 5.316 4.470 -0.000 0.000 0.271 157 S C -0.021 174.631 174.600 0.087 0.000 1.260 157 S CA -0.578 57.662 58.200 0.066 0.000 1.010 157 S CB 1.311 64.533 63.200 0.036 0.000 0.965 157 S HN 0.773 nan 8.310 nan 0.000 0.534 158 L N 0.876 122.142 121.223 0.071 0.000 2.341 158 L HA 0.602 4.942 4.340 -0.000 0.000 0.267 158 L C -0.229 176.668 176.870 0.044 0.000 1.009 158 L CA -0.598 54.290 54.840 0.080 0.000 0.819 158 L CB 2.099 44.216 42.059 0.095 0.000 1.323 158 L HN 0.757 nan 8.230 nan 0.000 0.425 159 E N 1.530 121.755 120.200 0.043 0.000 2.218 159 E HA 0.504 4.853 4.350 -0.000 0.000 0.263 159 E C -0.911 175.697 176.600 0.014 0.000 0.879 159 E CA -0.767 55.646 56.400 0.022 0.000 0.762 159 E CB 2.389 32.102 29.700 0.022 0.000 1.166 159 E HN 0.642 nan 8.360 nan 0.000 0.415 160 A N 3.940 126.760 122.820 -0.000 0.000 2.450 160 A HA 0.248 4.568 4.320 -0.000 0.000 0.255 160 A C 0.539 178.109 177.584 -0.023 0.000 1.096 160 A CA 0.070 52.100 52.037 -0.013 0.000 0.778 160 A CB 0.067 19.055 19.000 -0.022 0.000 1.031 160 A HN 0.760 nan 8.150 nan 0.000 0.494 161 I N 0.372 120.920 120.570 -0.037 0.000 3.196 161 I HA 0.119 4.289 4.170 -0.000 0.000 0.248 161 I C 0.783 176.864 176.117 -0.060 0.000 1.105 161 I CA 0.547 61.815 61.300 -0.054 0.000 1.482 161 I CB 0.165 38.114 38.000 -0.085 0.000 1.400 161 I HN 0.892 nan 8.210 nan 0.000 0.464 162 Q N 0.578 120.337 119.800 -0.069 0.000 2.594 162 Q HA 0.431 4.771 4.340 -0.000 0.000 0.278 162 Q C -1.541 174.416 176.000 -0.072 0.000 0.961 162 Q CA -0.748 55.013 55.803 -0.071 0.000 0.844 162 Q CB 1.701 30.389 28.738 -0.083 0.000 1.475 162 Q HN 0.074 nan 8.270 nan 0.000 0.389 163 L N 1.605 122.788 121.223 -0.066 0.000 2.439 163 L HA 0.398 4.738 4.340 -0.000 0.000 0.269 163 L C -1.960 174.847 176.870 -0.105 0.000 1.179 163 L CA -1.871 52.931 54.840 -0.064 0.000 0.828 163 L CB -0.068 41.967 42.059 -0.040 0.000 1.106 163 L HN 0.508 nan 8.230 nan 0.000 0.467 164 P HA -0.077 nan 4.420 nan 0.000 0.266 164 P C -0.767 176.293 177.300 -0.400 0.000 1.186 164 P CA -0.044 62.919 63.100 -0.228 0.000 0.767 164 P CB 0.376 31.949 31.700 -0.212 0.000 0.820 165 Q N 2.727 122.285 119.800 -0.403 0.000 2.314 165 Q HA 0.160 4.500 4.340 -0.000 0.000 0.258 165 Q C -0.787 174.805 176.000 -0.679 0.000 0.954 165 Q CA 0.699 56.219 55.803 -0.472 0.000 0.890 165 Q CB 0.220 28.733 28.738 -0.375 0.000 1.210 165 Q HN 0.425 nan 8.270 nan 0.000 0.410 166 H N 3.868 122.720 119.070 -0.364 0.000 2.877 166 H HA 0.159 4.715 4.556 -0.000 0.000 0.347 166 H C -0.741 174.363 175.328 -0.373 0.000 1.042 166 H CA -0.324 55.578 56.048 -0.243 0.000 1.276 166 H CB 1.047 30.751 29.762 -0.097 0.000 1.681 166 H HN 0.797 nan 8.280 nan 0.000 0.521 167 Y N -0.043 120.329 120.300 0.120 0.000 2.458 167 Y HA -0.015 4.535 4.550 -0.000 0.000 0.254 167 Y C 0.828 176.728 175.900 0.001 0.000 1.120 167 Y CA -0.386 57.741 58.100 0.045 0.000 1.282 167 Y CB 0.760 39.230 38.460 0.016 0.000 1.109 167 Y HN 0.498 nan 8.280 nan 0.000 0.526 168 D N -0.887 119.587 120.400 0.123 0.000 2.175 168 D HA 0.046 4.686 4.640 -0.000 0.000 0.248 168 D C -0.324 175.906 176.300 -0.118 0.000 1.047 168 D CA -0.741 53.185 54.000 -0.123 0.000 0.883 168 D CB 0.718 41.459 40.800 -0.097 0.000 1.180 168 D HN 0.371 nan 8.370 nan 0.000 0.438 169 Y N -2.428 117.912 120.300 0.067 0.000 3.168 169 Y HA -0.205 4.345 4.550 -0.000 0.000 0.207 169 Y C -2.009 173.889 175.900 -0.003 0.000 1.280 169 Y CA -0.420 57.690 58.100 0.016 0.000 1.235 169 Y CB -2.088 36.364 38.460 -0.013 0.000 1.370 169 Y HN 0.339 nan 8.280 nan 0.000 0.537 170 P HA 0.160 nan 4.420 nan 0.000 0.269 170 P C 1.167 178.501 177.300 0.057 0.000 1.209 170 P CA 1.662 64.796 63.100 0.057 0.000 0.776 170 P CB 0.864 32.586 31.700 0.036 0.000 0.876 171 G N 1.222 110.045 108.800 0.039 0.000 2.228 171 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.270 171 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.270 171 G C 0.684 175.608 174.900 0.040 0.000 0.976 171 G CA 0.532 45.653 45.100 0.036 0.000 0.636 171 G HN 0.537 nan 8.290 nan 0.000 0.542 172 L N 0.065 121.312 121.223 0.040 0.000 2.354 172 L HA 0.424 4.764 4.340 -0.000 0.000 0.212 172 L C 1.895 178.756 176.870 -0.015 0.000 1.091 172 L CA 0.798 55.638 54.840 0.000 0.000 0.828 172 L CB 0.056 42.127 42.059 0.020 0.000 0.973 172 L HN 0.241 nan 8.230 nan 0.000 0.461 173 R N 1.398 121.895 120.500 -0.006 0.000 4.138 173 R HA 0.117 4.457 4.340 -0.000 0.000 0.206 173 R C -0.283 176.034 176.300 0.029 0.000 1.667 173 R CA -0.084 56.001 56.100 -0.026 0.000 1.481 173 R CB -0.175 30.076 30.300 -0.081 0.000 1.388 173 R HN 0.214 nan 8.270 nan 0.000 0.776 174 K N 1.230 121.670 120.400 0.067 0.000 2.382 174 K HA 0.018 4.338 4.320 -0.000 0.000 0.275 174 K C 0.905 177.596 176.600 0.151 0.000 1.009 174 K CA 0.206 56.542 56.287 0.082 0.000 0.970 174 K CB 0.704 33.254 32.500 0.082 0.000 0.934 174 K HN 0.283 nan 8.250 nan 0.000 0.479 175 T N -0.404 114.184 114.554 0.057 0.000 2.816 175 T HA 0.155 4.505 4.350 -0.000 0.000 0.282 175 T C -1.924 172.697 174.700 -0.132 0.000 0.993 175 T CA -1.866 60.232 62.100 -0.003 0.000 0.994 175 T CB 1.099 69.924 68.868 -0.072 0.000 1.025 175 T HN 0.206 nan 8.240 nan 0.000 0.529 176 P HA -0.074 nan 4.420 nan 0.000 0.215 176 P C 1.711 178.848 177.300 -0.272 0.000 1.157 176 P CA 1.737 64.480 63.100 -0.594 0.000 0.874 176 P CB -0.340 30.951 31.700 -0.681 0.000 0.790 177 A N -0.492 122.205 122.820 -0.205 0.000 1.902 177 A HA -0.283 4.036 4.320 -0.000 0.000 0.217 177 A C 2.234 179.730 177.584 -0.146 0.000 1.181 177 A CA 1.782 53.734 52.037 -0.143 0.000 0.623 177 A CB -1.353 17.581 19.000 -0.110 0.000 0.818 177 A HN 0.211 nan 8.150 nan 0.000 0.443 178 Q N -0.646 119.071 119.800 -0.140 0.000 2.046 178 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 178 Q C 2.196 178.051 176.000 -0.242 0.000 0.975 178 Q CA 1.274 56.990 55.803 -0.144 0.000 0.836 178 Q CB -0.304 28.380 28.738 -0.089 0.000 0.896 178 Q HN 0.649 nan 8.270 nan 0.000 0.428 179 L N 0.519 121.574 121.223 -0.279 0.000 1.989 179 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 179 L C 2.517 178.870 176.870 -0.862 0.000 1.071 179 L CA 1.541 56.026 54.840 -0.591 0.000 0.749 179 L CB -0.219 41.583 42.059 -0.428 0.000 0.890 179 L HN 0.229 nan 8.230 nan 0.000 0.431 180 R N -0.577 119.655 120.500 -0.448 0.000 2.117 180 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 180 R C 2.227 178.428 176.300 -0.166 0.000 1.143 180 R CA 1.256 57.237 56.100 -0.197 0.000 0.968 180 R CB -0.284 29.979 30.300 -0.061 0.000 0.863 180 R HN 0.370 nan 8.270 nan 0.000 0.444 181 L N 0.001 121.100 121.223 -0.207 0.000 2.027 181 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 181 L C 2.444 179.182 176.870 -0.219 0.000 1.074 181 L CA 1.212 55.955 54.840 -0.161 0.000 0.745 181 L CB -0.276 41.699 42.059 -0.141 0.000 0.898 181 L HN 0.152 nan 8.230 nan 0.000 0.433 182 E N 0.333 120.315 120.200 -0.364 0.000 2.118 182 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 182 E C 1.987 178.337 176.600 -0.416 0.000 0.992 182 E CA 1.611 57.726 56.400 -0.474 0.000 0.804 182 E CB -0.261 29.009 29.700 -0.717 0.000 0.741 182 E HN 0.433 nan 8.360 nan 0.000 0.458 183 F N 0.221 119.972 119.950 -0.331 0.000 2.146 183 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 183 F C 2.517 178.232 175.800 -0.142 0.000 1.096 183 F CA 0.735 58.598 58.000 -0.228 0.000 1.275 183 F CB -0.167 38.838 39.000 0.007 0.000 1.008 183 F HN 0.057 nan 8.300 nan 0.000 0.480 184 Q N 0.120 119.972 119.800 0.087 0.000 2.124 184 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 184 Q C 2.205 178.192 176.000 -0.021 0.000 0.977 184 Q CA 1.776 57.604 55.803 0.042 0.000 0.850 184 Q CB -0.321 28.425 28.738 0.014 0.000 0.901 184 Q HN 0.261 nan 8.270 nan 0.000 0.429 185 S N 0.563 116.207 115.700 -0.093 0.000 2.419 185 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 185 S C 1.459 175.976 174.600 -0.139 0.000 1.016 185 S CA 0.957 59.087 58.200 -0.117 0.000 0.974 185 S CB -0.031 63.073 63.200 -0.160 0.000 0.786 185 S HN 0.315 nan 8.310 nan 0.000 0.492 186 R N 0.607 120.971 120.500 -0.227 0.000 2.359 186 R HA 0.213 4.553 4.340 -0.000 0.000 0.231 186 R C -0.133 176.165 176.300 -0.003 0.000 0.913 186 R CA 0.012 55.945 56.100 -0.278 0.000 1.075 186 R CB -0.019 29.756 30.300 -0.874 0.000 1.087 186 R HN 0.375 nan 8.270 nan 0.000 0.515 187 Q N -0.916 118.922 119.800 0.064 0.000 2.494 187 Q HA -0.179 4.161 4.340 -0.000 0.000 0.272 187 Q C -1.223 174.963 176.000 0.309 0.000 1.145 187 Q CA 0.502 56.397 55.803 0.154 0.000 0.943 187 Q CB -1.422 27.392 28.738 0.127 0.000 1.338 187 Q HN 0.301 nan 8.270 nan 0.000 0.492 188 W N 0.810 122.105 121.300 -0.007 0.000 2.387 188 W HA 0.256 4.915 4.660 -0.000 0.000 0.310 188 W C 0.965 177.444 176.519 -0.066 0.000 1.181 188 W CA -0.429 56.875 57.345 -0.068 0.000 1.333 188 W CB 0.677 30.046 29.460 -0.152 0.000 1.286 188 W HN 0.192 nan 8.180 nan 0.000 0.455 189 D N 2.201 122.663 120.400 0.103 0.000 2.584 189 D HA 0.062 4.702 4.640 -0.000 0.000 0.254 189 D C 0.174 176.490 176.300 0.027 0.000 1.085 189 D CA 0.836 54.888 54.000 0.086 0.000 0.971 189 D CB 0.432 41.300 40.800 0.114 0.000 1.103 189 D HN 0.158 nan 8.370 nan 0.000 0.453 190 R N 0.205 120.677 120.500 -0.046 0.000 2.234 190 R HA 0.531 4.871 4.340 -0.000 0.000 0.324 190 R C -1.005 175.162 176.300 -0.221 0.000 1.054 190 R CA -0.395 55.654 56.100 -0.085 0.000 0.912 190 R CB 1.928 32.141 30.300 -0.145 0.000 1.030 190 R HN -0.025 nan 8.270 nan 0.000 0.455 191 V N 4.014 123.835 119.914 -0.154 0.000 2.569 191 V HA 0.194 4.314 4.120 -0.000 0.000 0.301 191 V C -0.673 175.384 176.094 -0.062 0.000 1.044 191 V CA -0.880 61.268 62.300 -0.254 0.000 0.874 191 V CB 2.093 33.645 31.823 -0.451 0.000 1.002 191 V HN 0.505 nan 8.190 nan 0.000 0.424 192 V N 5.462 125.327 119.914 -0.082 0.000 2.370 192 V HA 0.849 4.969 4.120 -0.000 0.000 0.279 192 V C 0.498 176.642 176.094 0.083 0.000 1.029 192 V CA -0.085 62.245 62.300 0.051 0.000 0.870 192 V CB 1.275 33.088 31.823 -0.017 0.000 0.984 192 V HN 1.084 nan 8.190 nan 0.000 0.451 193 A N 6.785 129.714 122.820 0.182 0.000 2.309 193 A HA 0.734 5.053 4.320 -0.000 0.000 0.298 193 A C -0.910 176.828 177.584 0.257 0.000 1.165 193 A CA -0.452 51.719 52.037 0.223 0.000 0.821 193 A CB 0.663 19.817 19.000 0.256 0.000 1.102 193 A HN 1.013 nan 8.150 nan 0.000 0.500 194 F N 2.287 122.253 119.950 0.027 0.000 2.444 194 F HA 0.439 4.966 4.527 -0.000 0.000 0.342 194 F C 0.109 175.880 175.800 -0.049 0.000 1.121 194 F CA -0.471 57.480 58.000 -0.082 0.000 0.997 194 F CB 1.469 40.413 39.000 -0.094 0.000 1.130 194 F HN 0.584 nan 8.300 nan 0.000 0.454 195 Q N 3.922 123.279 119.800 -0.737 0.000 2.235 195 Q HA 0.531 4.871 4.340 -0.000 0.000 0.256 195 Q C -1.161 174.213 176.000 -1.044 0.000 0.951 195 Q CA -0.163 55.268 55.803 -0.619 0.000 0.890 195 Q CB 1.986 30.642 28.738 -0.137 0.000 1.279 195 Q HN 0.888 nan 8.270 nan 0.000 0.444 196 T N 1.379 115.522 114.554 -0.684 0.000 3.003 196 T HA 0.366 4.716 4.350 -0.000 0.000 0.354 196 T C -0.865 173.662 174.700 -0.287 0.000 1.651 196 T CA -0.522 61.267 62.100 -0.518 0.000 1.103 196 T CB 0.578 69.162 68.868 -0.474 0.000 1.450 196 T HN 0.790 nan 8.240 nan 0.000 0.484 197 R N 1.839 122.236 120.500 -0.170 0.000 2.565 197 R HA 0.469 4.809 4.340 -0.000 0.000 0.347 197 R C -0.302 175.997 176.300 -0.002 0.000 1.010 197 R CA -0.547 55.508 56.100 -0.075 0.000 1.126 197 R CB -0.010 30.241 30.300 -0.082 0.000 1.331 197 R HN 0.386 nan 8.270 nan 0.000 0.552 198 N N 0.354 119.060 118.700 0.010 0.000 2.629 198 N HA 0.471 5.211 4.740 -0.000 0.000 0.279 198 N C -3.042 172.481 175.510 0.023 0.000 1.344 198 N CA -2.121 50.939 53.050 0.017 0.000 0.789 198 N CB 1.556 40.048 38.487 0.010 0.000 1.508 198 N HN -0.174 nan 8.380 nan 0.000 0.516 199 P HA 0.155 nan 4.420 nan 0.000 0.272 199 P C -0.903 176.233 177.300 -0.273 0.000 1.223 199 P CA 0.258 63.235 63.100 -0.206 0.000 0.784 199 P CB 0.556 32.130 31.700 -0.212 0.000 0.923 200 M N 2.369 121.854 119.600 -0.191 0.000 2.268 200 M HA 0.309 4.789 4.480 -0.000 0.000 0.344 200 M C 0.181 176.403 176.300 -0.130 0.000 1.106 200 M CA -0.377 54.882 55.300 -0.068 0.000 1.010 200 M CB 1.074 33.769 32.600 0.159 0.000 1.649 200 M HN 0.421 nan 8.290 nan 0.000 0.443 201 H N 0.688 119.960 119.070 0.338 0.000 2.771 201 H HA 0.370 4.926 4.556 -0.000 0.000 0.344 201 H C 0.475 175.695 175.328 -0.179 0.000 1.260 201 H CA -0.733 55.249 56.048 -0.111 0.000 1.276 201 H CB 0.956 30.370 29.762 -0.580 0.000 1.881 201 H HN 0.650 nan 8.280 nan 0.000 0.615 202 R N 0.502 120.834 120.500 -0.280 0.000 2.117 202 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 202 R C 1.787 177.828 176.300 -0.433 0.000 1.143 202 R CA 1.657 57.547 56.100 -0.349 0.000 0.968 202 R CB -0.337 29.671 30.300 -0.486 0.000 0.863 202 R HN 0.647 nan 8.270 nan 0.000 0.444 203 A N 0.742 123.113 122.820 -0.749 0.000 1.883 203 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 203 A C 1.871 179.083 177.584 -0.619 0.000 1.186 203 A CA 1.662 53.058 52.037 -1.068 0.000 0.624 203 A CB -0.849 17.552 19.000 -0.998 0.000 0.822 203 A HN 0.473 nan 8.150 nan 0.000 0.444 204 H N -0.969 117.946 119.070 -0.257 0.000 2.387 204 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 204 H C 2.256 177.448 175.328 -0.227 0.000 1.090 204 H CA 1.570 57.506 56.048 -0.186 0.000 1.332 204 H CB -0.252 29.455 29.762 -0.092 0.000 1.386 204 H HN 0.407 nan 8.280 nan 0.000 0.516 205 R N 1.413 121.870 120.500 -0.070 0.000 2.066 205 R HA -0.109 4.230 4.340 -0.000 0.000 0.232 205 R C 1.737 177.868 176.300 -0.281 0.000 1.131 205 R CA 1.081 57.063 56.100 -0.197 0.000 0.955 205 R CB 0.126 30.357 30.300 -0.114 0.000 0.851 205 R HN 0.323 nan 8.270 nan 0.000 0.432 206 E N 0.969 121.020 120.200 -0.249 0.000 2.051 206 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 206 E C 2.249 178.707 176.600 -0.237 0.000 0.991 206 E CA 0.915 57.181 56.400 -0.225 0.000 0.799 206 E CB -0.368 29.204 29.700 -0.212 0.000 0.748 206 E HN 0.362 nan 8.360 nan 0.000 0.449 207 L N 0.666 121.687 121.223 -0.335 0.000 2.046 207 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 207 L C 2.571 179.339 176.870 -0.171 0.000 1.077 207 L CA 1.316 55.854 54.840 -0.504 0.000 0.747 207 L CB -0.556 40.852 42.059 -1.086 0.000 0.896 207 L HN 0.134 nan 8.230 nan 0.000 0.432 208 T N -0.655 113.908 114.554 0.015 0.000 2.737 208 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 208 T C 1.970 176.713 174.700 0.072 0.000 1.038 208 T CA 1.246 63.427 62.100 0.135 0.000 1.144 208 T CB -0.057 68.823 68.868 0.020 0.000 0.866 208 T HN 0.046 nan 8.240 nan 0.000 0.434 209 V N 1.265 121.162 119.914 -0.027 0.000 2.407 209 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 209 V C 2.539 178.609 176.094 -0.041 0.000 1.055 209 V CA 1.668 63.943 62.300 -0.042 0.000 1.049 209 V CB -0.572 31.163 31.823 -0.147 0.000 0.662 209 V HN 0.329 nan 8.190 nan 0.000 0.455 210 R N 0.038 120.502 120.500 -0.060 0.000 2.096 210 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 210 R C 2.332 178.619 176.300 -0.022 0.000 1.127 210 R CA 1.506 57.573 56.100 -0.055 0.000 0.968 210 R CB -0.435 29.811 30.300 -0.090 0.000 0.861 210 R HN 0.504 nan 8.270 nan 0.000 0.440 211 A N 0.638 123.476 122.820 0.030 0.000 1.877 211 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 211 A C 2.343 179.909 177.584 -0.031 0.000 1.186 211 A CA 1.733 53.808 52.037 0.063 0.000 0.620 211 A CB -0.879 18.236 19.000 0.192 0.000 0.822 211 A HN 0.510 nan 8.150 nan 0.000 0.443 212 A N -0.480 122.315 122.820 -0.043 0.000 1.908 212 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 212 A C 2.271 179.785 177.584 -0.117 0.000 1.181 212 A CA 1.845 53.816 52.037 -0.110 0.000 0.627 212 A CB -0.517 18.429 19.000 -0.090 0.000 0.818 212 A HN 0.553 nan 8.150 nan 0.000 0.445 213 R N -0.349 120.105 120.500 -0.077 0.000 2.081 213 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 213 R C 2.067 178.323 176.300 -0.072 0.000 1.131 213 R CA 1.783 57.841 56.100 -0.070 0.000 0.960 213 R CB -0.232 30.038 30.300 -0.050 0.000 0.856 213 R HN 0.701 nan 8.270 nan 0.000 0.436 214 E N -0.644 119.517 120.200 -0.064 0.000 2.107 214 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 214 E C 1.402 177.951 176.600 -0.084 0.000 0.982 214 E CA 1.086 57.454 56.400 -0.055 0.000 0.809 214 E CB 0.074 29.758 29.700 -0.026 0.000 0.756 214 E HN 0.394 nan 8.360 nan 0.000 0.459 215 A N 0.858 123.588 122.820 -0.151 0.000 2.275 215 A HA 0.030 4.350 4.320 -0.000 0.000 0.212 215 A C 0.083 177.499 177.584 -0.280 0.000 1.201 215 A CA -0.255 51.623 52.037 -0.266 0.000 0.843 215 A CB -0.003 18.657 19.000 -0.565 0.000 0.873 215 A HN 0.178 nan 8.150 nan 0.000 0.492 216 N N -0.675 117.907 118.700 -0.195 0.000 2.705 216 N HA -0.181 4.559 4.740 -0.000 0.000 0.255 216 N C -0.051 175.318 175.510 -0.235 0.000 1.008 216 N CA 1.037 53.982 53.050 -0.174 0.000 0.742 216 N CB -1.259 37.153 38.487 -0.125 0.000 0.906 216 N HN 0.846 nan 8.380 nan 0.000 0.541 217 A N -0.198 122.449 122.820 -0.288 0.000 2.527 217 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 217 A C -0.009 177.329 177.584 -0.409 0.000 1.117 217 A CA -0.757 51.067 52.037 -0.354 0.000 0.723 217 A CB 1.828 20.587 19.000 -0.402 0.000 1.313 217 A HN 0.021 nan 8.150 nan 0.000 0.411 218 K N -0.032 119.994 120.400 -0.623 0.000 2.098 218 K HA 0.582 4.902 4.320 -0.000 0.000 0.244 218 K C -0.564 175.694 176.600 -0.569 0.000 1.014 218 K CA -0.405 55.357 56.287 -0.875 0.000 0.917 218 K CB 1.424 32.653 32.500 -2.117 0.000 1.072 218 K HN 0.396 nan 8.250 nan 0.000 0.477 219 V N 2.103 121.775 119.914 -0.403 0.000 2.483 219 V HA 0.318 4.438 4.120 -0.000 0.000 0.295 219 V C -0.564 175.537 176.094 0.010 0.000 1.035 219 V CA -0.963 61.253 62.300 -0.140 0.000 0.896 219 V CB 1.480 33.278 31.823 -0.042 0.000 0.986 219 V HN 0.512 nan 8.190 nan 0.000 0.447 220 L N 6.652 127.919 121.223 0.074 0.000 2.342 220 L HA 0.611 4.951 4.340 -0.000 0.000 0.276 220 L C -0.575 176.367 176.870 0.121 0.000 0.997 220 L CA 0.147 55.097 54.840 0.183 0.000 0.838 220 L CB 1.102 43.293 42.059 0.220 0.000 1.224 220 L HN 0.548 nan 8.230 nan 0.000 0.416 221 I N 5.049 125.650 120.570 0.052 0.000 2.322 221 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 221 I C -0.008 176.095 176.117 -0.023 0.000 1.060 221 I CA 0.006 61.319 61.300 0.022 0.000 1.309 221 I CB 0.271 38.205 38.000 -0.110 0.000 1.415 221 I HN 0.649 nan 8.210 nan 0.000 0.492 222 H N 7.515 126.484 119.070 -0.169 0.000 2.328 222 H HA 0.313 4.869 4.556 -0.000 0.000 0.230 222 H C -2.395 172.698 175.328 -0.393 0.000 1.481 222 H CA -2.142 53.743 56.048 -0.271 0.000 1.306 222 H CB 0.660 30.282 29.762 -0.232 0.000 1.531 222 H HN 0.348 nan 8.280 nan 0.000 0.533 223 P HA -0.054 nan 4.420 nan 0.000 0.272 223 P C -0.392 176.645 177.300 -0.438 0.000 1.223 223 P CA -0.196 62.588 63.100 -0.526 0.000 0.784 223 P CB 1.374 32.620 31.700 -0.756 0.000 0.923 224 V N 3.239 122.939 119.914 -0.356 0.000 2.432 224 V HA 0.114 4.233 4.120 -0.000 0.000 0.275 224 V C 1.229 177.188 176.094 -0.224 0.000 1.043 224 V CA 0.105 62.210 62.300 -0.325 0.000 0.925 224 V CB 1.248 32.899 31.823 -0.287 0.000 0.985 224 V HN 0.484 nan 8.190 nan 0.000 0.466 225 V N 1.781 121.531 119.914 -0.273 0.000 3.346 225 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 225 V C 1.190 177.027 176.094 -0.429 0.000 1.457 225 V CA 0.917 63.018 62.300 -0.331 0.000 1.069 225 V CB 0.035 31.637 31.823 -0.369 0.000 0.944 225 V HN 0.732 nan 8.190 nan 0.000 0.449 226 G N 1.390 110.030 108.800 -0.266 0.000 2.670 226 G HA2 0.377 4.337 3.960 -0.000 0.000 0.219 226 G HA3 0.377 4.337 3.960 -0.000 0.000 0.219 226 G C 0.245 175.081 174.900 -0.107 0.000 1.342 226 G CA 0.106 45.098 45.100 -0.180 0.000 0.902 226 G HN 0.379 nan 8.290 nan 0.000 0.553 227 L N 1.211 122.398 121.223 -0.060 0.000 2.441 227 L HA 0.372 4.712 4.340 -0.000 0.000 0.270 227 L C 0.561 177.421 176.870 -0.017 0.000 0.973 227 L CA -0.689 54.140 54.840 -0.019 0.000 0.842 227 L CB 2.365 44.423 42.059 -0.001 0.000 1.239 227 L HN 0.565 nan 8.230 nan 0.000 0.406 228 T N -0.823 113.725 114.554 -0.009 0.000 2.983 228 T HA 0.267 4.617 4.350 -0.000 0.000 0.225 228 T C 0.229 174.930 174.700 0.001 0.000 0.929 228 T CA -0.379 61.716 62.100 -0.009 0.000 1.413 228 T CB 0.547 69.408 68.868 -0.012 0.000 2.852 228 T HN 0.342 nan 8.240 nan 0.000 0.430 229 K N 2.294 122.695 120.400 0.003 0.000 2.172 229 K HA 0.410 4.730 4.320 -0.000 0.000 0.276 229 K C -2.676 173.935 176.600 0.019 0.000 1.013 229 K CA -2.331 53.958 56.287 0.003 0.000 0.913 229 K CB 0.552 33.052 32.500 0.000 0.000 1.055 229 K HN 0.199 nan 8.250 nan 0.000 0.461 230 P HA -0.067 nan 4.420 nan 0.000 0.255 230 P C -0.620 176.705 177.300 0.042 0.000 1.161 230 P CA 1.012 64.136 63.100 0.039 0.000 0.768 230 P CB 0.270 31.995 31.700 0.043 0.000 0.746 231 G N 2.033 110.861 108.800 0.046 0.000 2.587 231 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.245 231 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.245 231 G C -0.539 174.387 174.900 0.043 0.000 0.959 231 G CA -0.021 45.106 45.100 0.045 0.000 1.268 231 G HN 0.658 nan 8.290 nan 0.000 0.448 232 D N 0.178 120.604 120.400 0.043 0.000 2.867 232 D HA 0.585 5.225 4.640 -0.000 0.000 0.308 232 D C 0.517 176.841 176.300 0.040 0.000 1.202 232 D CA -0.956 53.069 54.000 0.041 0.000 1.035 232 D CB 0.785 41.607 40.800 0.037 0.000 1.427 232 D HN 0.364 nan 8.370 nan 0.000 0.570 233 I N 2.294 122.885 120.570 0.034 0.000 2.436 233 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 233 I C 0.286 176.425 176.117 0.036 0.000 1.083 233 I CA -0.571 60.744 61.300 0.024 0.000 1.372 233 I CB 0.241 38.244 38.000 0.004 0.000 1.408 233 I HN 0.339 nan 8.210 nan 0.000 0.516 234 D N 6.844 127.271 120.400 0.045 0.000 2.515 234 D HA -0.190 4.449 4.640 -0.000 0.000 0.232 234 D C 1.300 177.622 176.300 0.037 0.000 1.157 234 D CA 0.107 54.151 54.000 0.073 0.000 0.871 234 D CB 0.517 41.356 40.800 0.065 0.000 1.200 234 D HN 0.683 nan 8.370 nan 0.000 0.466 235 H N 1.312 120.376 119.070 -0.010 0.000 2.489 235 H HA -0.161 4.395 4.556 -0.000 0.000 0.293 235 H C 1.242 176.510 175.328 -0.099 0.000 1.066 235 H CA 1.230 57.230 56.048 -0.080 0.000 1.305 235 H CB -0.558 29.128 29.762 -0.128 0.000 1.386 235 H HN 0.555 nan 8.280 nan 0.000 0.551 236 H N 1.038 119.891 119.070 -0.362 0.000 2.293 236 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 236 H C 2.003 177.283 175.328 -0.080 0.000 1.082 236 H CA 2.092 58.067 56.048 -0.122 0.000 1.308 236 H CB -0.260 29.411 29.762 -0.153 0.000 1.375 236 H HN 0.395 nan 8.280 nan 0.000 0.495 237 T N 1.320 115.885 114.554 0.017 0.000 2.684 237 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 237 T C 2.164 176.761 174.700 -0.173 0.000 1.036 237 T CA 1.163 63.233 62.100 -0.050 0.000 1.148 237 T CB -0.073 68.769 68.868 -0.042 0.000 0.863 237 T HN 0.365 nan 8.240 nan 0.000 0.436 238 R N 0.328 120.685 120.500 -0.239 0.000 2.096 238 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 238 R C 2.525 178.310 176.300 -0.857 0.000 1.127 238 R CA 0.960 56.718 56.100 -0.570 0.000 0.968 238 R CB -0.760 29.310 30.300 -0.382 0.000 0.861 238 R HN 0.249 nan 8.270 nan 0.000 0.440 239 V N 1.163 120.849 119.914 -0.380 0.000 2.343 239 V HA -0.260 3.859 4.120 -0.000 0.000 0.247 239 V C 2.368 178.318 176.094 -0.241 0.000 1.051 239 V CA 1.712 63.846 62.300 -0.277 0.000 1.036 239 V CB -0.492 30.967 31.823 -0.607 0.000 0.654 239 V HN 0.315 nan 8.190 nan 0.000 0.451 240 R N -0.552 119.844 120.500 -0.173 0.000 2.091 240 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 240 R C 2.244 178.464 176.300 -0.132 0.000 1.136 240 R CA 1.499 57.545 56.100 -0.090 0.000 0.959 240 R CB -0.589 29.688 30.300 -0.038 0.000 0.856 240 R HN 0.410 nan 8.270 nan 0.000 0.437 241 V N 0.322 120.085 119.914 -0.252 0.000 2.295 241 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 241 V C 1.948 177.944 176.094 -0.163 0.000 1.049 241 V CA 1.699 63.854 62.300 -0.242 0.000 1.024 241 V CB -0.572 31.026 31.823 -0.376 0.000 0.648 241 V HN 0.214 nan 8.190 nan 0.000 0.447 242 Y N 0.740 120.993 120.300 -0.078 0.000 2.145 242 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 242 Y C 2.652 178.492 175.900 -0.100 0.000 1.145 242 Y CA 1.193 59.239 58.100 -0.090 0.000 1.148 242 Y CB -1.140 37.241 38.460 -0.131 0.000 0.981 242 Y HN 0.307 nan 8.280 nan 0.000 0.507 243 Q N -0.480 119.338 119.800 0.030 0.000 2.291 243 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 243 Q C 1.912 177.900 176.000 -0.019 0.000 0.976 243 Q CA 1.521 57.311 55.803 -0.022 0.000 0.875 243 Q CB -0.060 28.657 28.738 -0.035 0.000 0.927 243 Q HN 0.401 nan 8.270 nan 0.000 0.450 244 E N 0.854 121.045 120.200 -0.016 0.000 2.102 244 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 244 E C 1.540 178.116 176.600 -0.040 0.000 0.971 244 E CA 0.411 56.797 56.400 -0.023 0.000 0.821 244 E CB 0.023 29.711 29.700 -0.019 0.000 0.777 244 E HN 0.289 nan 8.360 nan 0.000 0.460 245 I N 0.299 120.863 120.570 -0.009 0.000 2.546 245 I HA -0.125 4.044 4.170 -0.000 0.000 0.255 245 I C 1.722 177.893 176.117 0.091 0.000 1.163 245 I CA 0.380 61.667 61.300 -0.021 0.000 1.457 245 I CB 0.102 38.163 38.000 0.101 0.000 1.092 245 I HN 0.204 nan 8.210 nan 0.000 0.434 246 I N 1.248 121.845 120.570 0.046 0.000 2.530 246 I HA -0.242 3.927 4.170 -0.000 0.000 0.257 246 I C 1.771 177.911 176.117 0.040 0.000 1.179 246 I CA 1.437 62.707 61.300 -0.049 0.000 1.440 246 I CB -0.552 37.372 38.000 -0.126 0.000 1.087 246 I HN 0.241 nan 8.210 nan 0.000 0.440 247 K N 0.316 120.732 120.400 0.026 0.000 2.426 247 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 247 K C 1.246 177.851 176.600 0.008 0.000 1.028 247 K CA 0.180 56.476 56.287 0.016 0.000 1.047 247 K CB 0.017 32.507 32.500 -0.018 0.000 0.821 247 K HN 0.155 nan 8.250 nan 0.000 0.513 248 R N 0.261 120.752 120.500 -0.014 0.000 2.391 248 R HA 0.159 4.498 4.340 -0.000 0.000 0.249 248 R C -0.249 176.010 176.300 -0.068 0.000 0.957 248 R CA -0.159 55.844 56.100 -0.161 0.000 1.093 248 R CB -0.449 29.481 30.300 -0.617 0.000 1.156 248 R HN 0.082 nan 8.270 nan 0.000 0.526 249 Y N 0.313 120.568 120.300 -0.074 0.000 2.496 249 Y HA 0.397 4.947 4.550 -0.000 0.000 0.331 249 Y C -1.679 174.218 175.900 -0.005 0.000 1.140 249 Y CA -3.032 55.051 58.100 -0.029 0.000 1.166 249 Y CB 0.496 38.950 38.460 -0.011 0.000 1.249 249 Y HN -0.076 nan 8.280 nan 0.000 0.479 250 P HA -0.005 nan 4.420 nan 0.000 0.266 250 P C -0.703 176.673 177.300 0.127 0.000 1.195 250 P CA -0.004 63.155 63.100 0.100 0.000 0.768 250 P CB 0.408 32.150 31.700 0.070 0.000 0.838 251 N N 1.538 120.298 118.700 0.099 0.000 2.407 251 N HA 0.100 4.840 4.740 -0.000 0.000 0.250 251 N C 1.160 176.749 175.510 0.132 0.000 1.236 251 N CA 1.031 54.144 53.050 0.106 0.000 0.879 251 N CB -0.010 38.524 38.487 0.079 0.000 1.088 251 N HN 0.774 nan 8.380 nan 0.000 0.450 252 G N 1.434 110.337 108.800 0.172 0.000 2.225 252 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.267 252 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.267 252 G C 0.580 175.663 174.900 0.306 0.000 1.024 252 G CA -0.184 45.067 45.100 0.252 0.000 0.784 252 G HN 0.583 nan 8.290 nan 0.000 0.507 253 I N -0.648 120.064 120.570 0.237 0.000 3.718 253 I HA 0.415 4.585 4.170 -0.000 0.000 0.297 253 I C 1.530 177.700 176.117 0.088 0.000 1.220 253 I CA 1.341 62.709 61.300 0.114 0.000 1.381 253 I CB 0.015 38.084 38.000 0.116 0.000 1.238 253 I HN 0.442 nan 8.210 nan 0.000 0.448 254 A N 0.366 123.289 122.820 0.172 0.000 2.386 254 A HA 0.700 5.019 4.320 -0.000 0.000 0.308 254 A C -1.616 176.180 177.584 0.354 0.000 1.128 254 A CA -0.306 51.791 52.037 0.100 0.000 0.789 254 A CB 2.107 20.833 19.000 -0.456 0.000 1.325 254 A HN 0.064 nan 8.150 nan 0.000 0.437 255 F N 0.606 120.660 119.950 0.174 0.000 2.574 255 F HA 0.592 5.119 4.527 -0.000 0.000 0.313 255 F C -1.388 174.434 175.800 0.036 0.000 1.130 255 F CA -0.822 57.258 58.000 0.133 0.000 0.936 255 F CB 1.790 40.928 39.000 0.231 0.000 1.219 255 F HN 0.580 nan 8.300 nan 0.000 0.445 256 L N 4.877 125.658 121.223 -0.737 0.000 2.307 256 L HA 0.800 5.140 4.340 -0.000 0.000 0.282 256 L C -0.821 175.676 176.870 -0.622 0.000 1.051 256 L CA 0.198 54.726 54.840 -0.520 0.000 0.804 256 L CB 1.507 43.333 42.059 -0.389 0.000 1.197 256 L HN 0.578 nan 8.230 nan 0.000 0.431 257 S N 4.511 120.063 115.700 -0.246 0.000 2.543 257 S HA 0.625 5.095 4.470 -0.000 0.000 0.271 257 S C -1.135 173.442 174.600 -0.040 0.000 1.148 257 S CA -0.755 57.389 58.200 -0.093 0.000 0.914 257 S CB 0.769 64.026 63.200 0.095 0.000 1.096 257 S HN 0.622 nan 8.310 nan 0.000 0.471 258 L N 3.750 124.907 121.223 -0.110 0.000 2.350 258 L HA 0.582 4.921 4.340 -0.000 0.000 0.275 258 L C -0.561 176.141 176.870 -0.280 0.000 1.099 258 L CA -0.908 53.808 54.840 -0.207 0.000 0.808 258 L CB 1.022 42.956 42.059 -0.208 0.000 1.149 258 L HN 0.509 nan 8.230 nan 0.000 0.442 259 L N 6.146 127.084 121.223 -0.475 0.000 2.294 259 L HA 0.474 4.813 4.340 -0.000 0.000 0.283 259 L C -2.199 174.425 176.870 -0.410 0.000 1.015 259 L CA -1.685 52.797 54.840 -0.598 0.000 0.831 259 L CB 1.338 42.770 42.059 -1.044 0.000 1.217 259 L HN 0.234 nan 8.230 nan 0.000 0.420 260 P HA 0.082 nan 4.420 nan 0.000 0.261 260 P C -0.579 176.605 177.300 -0.194 0.000 1.650 260 P CA -0.073 62.890 63.100 -0.228 0.000 0.846 260 P CB -0.223 31.394 31.700 -0.139 0.000 1.758 261 L N 0.431 121.505 121.223 -0.249 0.000 2.371 261 L HA 0.513 4.852 4.340 -0.000 0.000 0.272 261 L C 0.180 177.008 176.870 -0.069 0.000 1.124 261 L CA -0.502 54.228 54.840 -0.183 0.000 0.816 261 L CB 0.565 42.424 42.059 -0.333 0.000 1.129 261 L HN -0.004 nan 8.230 nan 0.000 0.448 262 A N 6.727 129.595 122.820 0.080 0.000 2.412 262 A HA 0.511 4.831 4.320 -0.000 0.000 0.334 262 A C -0.052 177.672 177.584 0.233 0.000 1.419 262 A CA -0.634 51.470 52.037 0.112 0.000 0.930 262 A CB -0.255 18.823 19.000 0.130 0.000 1.149 262 A HN 0.784 nan 8.150 nan 0.000 0.515 263 M N 0.892 120.587 119.600 0.158 0.000 2.245 263 M HA 0.171 4.651 4.480 -0.000 0.000 0.330 263 M C 1.086 177.513 176.300 0.212 0.000 1.098 263 M CA 0.184 55.644 55.300 0.267 0.000 1.172 263 M CB 0.533 33.225 32.600 0.153 0.000 1.467 263 M HN 0.625 nan 8.290 nan 0.000 0.454 264 R N 1.172 121.839 120.500 0.278 0.000 2.397 264 R HA 0.278 4.618 4.340 -0.000 0.000 0.241 264 R C -0.239 176.162 176.300 0.168 0.000 0.914 264 R CA 0.204 56.393 56.100 0.149 0.000 1.071 264 R CB 0.259 30.686 30.300 0.213 0.000 1.116 264 R HN 0.698 nan 8.270 nan 0.000 0.524 265 M N -0.037 119.655 119.600 0.154 0.000 2.302 265 M HA -0.200 4.280 4.480 -0.000 0.000 0.200 265 M C 0.158 176.581 176.300 0.204 0.000 0.366 265 M CA 0.648 55.997 55.300 0.082 0.000 0.440 265 M CB -2.763 29.817 32.600 -0.032 0.000 1.475 265 M HN 0.035 nan 8.290 nan 0.000 0.905 266 S N -0.388 115.460 115.700 0.246 0.000 2.519 266 S HA 0.458 4.928 4.470 -0.000 0.000 0.245 266 S C 1.772 176.281 174.600 -0.152 0.000 1.152 266 S CA 0.630 59.041 58.200 0.352 0.000 1.175 266 S CB -0.311 63.117 63.200 0.379 0.000 0.829 266 S HN 0.854 nan 8.310 nan 0.000 0.472 267 G N 2.510 110.974 108.800 -0.560 0.000 3.575 267 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.292 267 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.292 267 G C 0.983 175.568 174.900 -0.525 0.000 1.114 267 G CA 1.573 46.158 45.100 -0.859 0.000 1.087 267 G HN 0.580 nan 8.290 nan 0.000 1.261 268 D N 0.155 120.198 120.400 -0.595 0.000 2.212 268 D HA -0.110 4.529 4.640 -0.000 0.000 0.197 268 D C 2.803 179.068 176.300 -0.058 0.000 1.004 268 D CA 1.699 55.636 54.000 -0.105 0.000 0.864 268 D CB -0.373 40.525 40.800 0.163 0.000 1.027 268 D HN 0.487 nan 8.370 nan 0.000 0.455 269 R N 0.066 120.549 120.500 -0.028 0.000 2.091 269 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 269 R C 2.408 178.659 176.300 -0.083 0.000 1.136 269 R CA 1.358 57.418 56.100 -0.066 0.000 0.959 269 R CB -0.356 29.866 30.300 -0.129 0.000 0.856 269 R HN 0.416 nan 8.270 nan 0.000 0.437 270 E N 0.603 120.762 120.200 -0.069 0.000 2.209 270 E HA -0.186 4.163 4.350 -0.000 0.000 0.196 270 E C 1.839 178.279 176.600 -0.268 0.000 0.993 270 E CA 1.107 57.490 56.400 -0.029 0.000 0.819 270 E CB 0.017 29.697 29.700 -0.034 0.000 0.745 270 E HN 0.394 nan 8.360 nan 0.000 0.477 271 A N 0.130 122.843 122.820 -0.178 0.000 1.898 271 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 271 A C 2.353 179.904 177.584 -0.055 0.000 1.181 271 A CA 1.249 53.195 52.037 -0.153 0.000 0.620 271 A CB -0.469 18.401 19.000 -0.216 0.000 0.819 271 A HN 0.217 nan 8.150 nan 0.000 0.442 272 V N -1.943 117.942 119.914 -0.048 0.000 2.358 272 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 272 V C 2.198 178.211 176.094 -0.135 0.000 1.047 272 V CA 1.792 64.057 62.300 -0.057 0.000 1.035 272 V CB -0.906 30.893 31.823 -0.040 0.000 0.658 272 V HN 0.875 nan 8.190 nan 0.000 0.452 273 W N 1.044 122.118 121.300 -0.376 0.000 2.338 273 W HA -0.178 4.481 4.660 -0.000 0.000 0.304 273 W C 2.503 178.854 176.519 -0.280 0.000 1.212 273 W CA 1.938 58.991 57.345 -0.487 0.000 1.264 273 W CB -0.793 28.381 29.460 -0.476 0.000 1.142 273 W HN 0.417 nan 8.180 nan 0.000 0.512 274 H N -0.912 117.961 119.070 -0.329 0.000 2.387 274 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 274 H C 2.278 177.066 175.328 -0.901 0.000 1.090 274 H CA 1.084 56.794 56.048 -0.564 0.000 1.332 274 H CB -0.311 29.325 29.762 -0.212 0.000 1.386 274 H HN 0.197 nan 8.280 nan 0.000 0.516 275 A N 1.094 123.511 122.820 -0.672 0.000 1.902 275 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 275 A C 2.386 179.713 177.584 -0.429 0.000 1.181 275 A CA 1.125 52.746 52.037 -0.693 0.000 0.623 275 A CB -0.579 18.281 19.000 -0.233 0.000 0.818 275 A HN 0.277 nan 8.150 nan 0.000 0.443 276 I N -0.264 120.080 120.570 -0.376 0.000 2.142 276 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 276 I C 2.335 178.356 176.117 -0.160 0.000 1.078 276 I CA 1.410 62.502 61.300 -0.346 0.000 1.343 276 I CB -0.396 37.333 38.000 -0.452 0.000 1.046 276 I HN 0.304 nan 8.210 nan 0.000 0.405 277 I N 0.256 120.717 120.570 -0.182 0.000 2.118 277 I HA -0.321 3.848 4.170 -0.000 0.000 0.241 277 I C 2.679 178.858 176.117 0.104 0.000 1.070 277 I CA 1.379 62.678 61.300 -0.003 0.000 1.327 277 I CB -0.440 37.459 38.000 -0.169 0.000 1.034 277 I HN 0.151 nan 8.210 nan 0.000 0.405 278 R N 0.976 121.403 120.500 -0.122 0.000 2.152 278 R HA -0.142 4.197 4.340 -0.000 0.000 0.232 278 R C 2.125 178.467 176.300 0.069 0.000 1.117 278 R CA 1.167 57.249 56.100 -0.030 0.000 0.981 278 R CB -0.494 29.634 30.300 -0.287 0.000 0.870 278 R HN 0.332 nan 8.270 nan 0.000 0.451 279 K N 0.180 120.577 120.400 -0.005 0.000 2.025 279 K HA -0.094 4.225 4.320 -0.000 0.000 0.207 279 K C 1.255 177.920 176.600 0.107 0.000 1.049 279 K CA 1.492 57.807 56.287 0.047 0.000 0.933 279 K CB -0.042 32.461 32.500 0.005 0.000 0.714 279 K HN 0.122 nan 8.250 nan 0.000 0.438 280 N N 0.113 118.881 118.700 0.113 0.000 2.289 280 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 280 N C 1.224 176.730 175.510 -0.007 0.000 1.016 280 N CA 1.090 54.181 53.050 0.067 0.000 0.872 280 N CB -0.221 38.304 38.487 0.063 0.000 0.973 280 N HN 0.306 nan 8.380 nan 0.000 0.433 281 Y N -0.105 120.227 120.300 0.052 0.000 2.529 281 Y HA 0.156 4.706 4.550 -0.000 0.000 0.290 281 Y C 1.736 177.707 175.900 0.120 0.000 1.177 281 Y CA 0.533 58.659 58.100 0.042 0.000 1.305 281 Y CB 0.102 38.577 38.460 0.025 0.000 1.047 281 Y HN 0.170 nan 8.280 nan 0.000 0.522 282 G N -0.605 108.354 108.800 0.265 0.000 2.163 282 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.213 282 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.213 282 G C 0.121 175.201 174.900 0.301 0.000 0.991 282 G CA -0.206 45.094 45.100 0.333 0.000 0.653 282 G HN 0.542 nan 8.290 nan 0.000 0.518 283 A N 0.802 123.761 122.820 0.231 0.000 2.309 283 A HA 0.749 5.069 4.320 -0.000 0.000 0.290 283 A C 1.455 179.104 177.584 0.109 0.000 1.206 283 A CA 0.997 53.118 52.037 0.140 0.000 0.850 283 A CB 0.674 19.759 19.000 0.143 0.000 1.118 283 A HN 1.511 nan 8.150 nan 0.000 0.523 284 S N 1.872 117.636 115.700 0.106 0.000 2.470 284 S HA 0.059 4.528 4.470 -0.000 0.000 0.225 284 S C 0.621 175.185 174.600 -0.061 0.000 1.006 284 S CA 0.511 58.749 58.200 0.064 0.000 0.934 284 S CB -0.180 63.096 63.200 0.126 0.000 0.778 284 S HN 0.773 nan 8.310 nan 0.000 0.517 285 H N -0.412 118.686 119.070 0.047 0.000 2.637 285 H HA 0.568 5.124 4.556 -0.000 0.000 0.363 285 H C -1.950 173.479 175.328 0.169 0.000 1.131 285 H CA -0.684 55.408 56.048 0.073 0.000 1.183 285 H CB 1.739 31.510 29.762 0.015 0.000 1.637 285 H HN 0.282 nan 8.280 nan 0.000 0.531 286 F N 2.963 122.946 119.950 0.055 0.000 2.547 286 F HA 0.425 4.952 4.527 -0.000 0.000 0.316 286 F C -1.146 174.642 175.800 -0.020 0.000 1.121 286 F CA -0.955 57.050 58.000 0.008 0.000 0.911 286 F CB 0.958 39.941 39.000 -0.029 0.000 1.179 286 F HN 0.376 nan 8.300 nan 0.000 0.443 287 I N 6.360 126.513 120.570 -0.695 0.000 2.325 287 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 287 I C -0.834 174.650 176.117 -1.055 0.000 1.019 287 I CA -0.684 60.183 61.300 -0.720 0.000 1.302 287 I CB 1.243 38.842 38.000 -0.669 0.000 1.401 287 I HN 0.258 nan 8.210 nan 0.000 0.485 288 V N 6.252 125.783 119.914 -0.638 0.000 2.409 288 V HA 0.582 4.701 4.120 -0.000 0.000 0.291 288 V C 0.618 176.627 176.094 -0.141 0.000 1.020 288 V CA -0.469 61.516 62.300 -0.524 0.000 0.848 288 V CB 1.242 32.822 31.823 -0.404 0.000 0.990 288 V HN 0.887 nan 8.190 nan 0.000 0.430 289 G N 3.312 112.171 108.800 0.098 0.000 2.613 289 G HA2 0.544 4.504 3.960 -0.000 0.000 0.303 289 G HA3 0.544 4.504 3.960 -0.000 0.000 0.303 289 G C -0.367 174.616 174.900 0.137 0.000 1.312 289 G CA -0.973 44.226 45.100 0.164 0.000 1.036 289 G HN 0.665 nan 8.290 nan 0.000 0.513 290 R N -0.271 120.293 120.500 0.108 0.000 2.570 290 R HA 0.124 4.464 4.340 -0.000 0.000 0.277 290 R C 0.032 176.325 176.300 -0.013 0.000 1.039 290 R CA 0.506 56.582 56.100 -0.041 0.000 1.065 290 R CB 0.089 30.349 30.300 -0.067 0.000 0.964 290 R HN 0.608 nan 8.270 nan 0.000 0.428 291 D N 1.871 122.240 120.400 -0.051 0.000 2.704 291 D HA -0.271 4.369 4.640 -0.000 0.000 0.232 291 D C -0.966 175.347 176.300 0.021 0.000 1.183 291 D CA 1.008 55.013 54.000 0.008 0.000 0.647 291 D CB -1.083 39.734 40.800 0.028 0.000 1.013 291 D HN 0.632 nan 8.370 nan 0.000 0.415 292 H N 0.385 119.412 119.070 -0.072 0.000 2.964 292 H HA 0.361 4.916 4.556 -0.000 0.000 0.328 292 H C 1.297 176.551 175.328 -0.122 0.000 1.030 292 H CA 0.936 56.932 56.048 -0.085 0.000 1.445 292 H CB 0.435 30.141 29.762 -0.094 0.000 1.449 292 H HN 0.393 nan 8.280 nan 0.000 0.581 293 A N 3.155 125.801 122.820 -0.291 0.000 2.771 293 A HA -0.175 4.145 4.320 -0.000 0.000 0.294 293 A C 0.922 178.430 177.584 -0.126 0.000 1.500 293 A CA 1.013 52.952 52.037 -0.164 0.000 0.829 293 A CB -2.002 16.930 19.000 -0.114 0.000 0.998 293 A HN 1.020 nan 8.150 nan 0.000 0.526 294 G N -1.237 107.516 108.800 -0.079 0.000 2.356 294 G HA2 0.528 4.487 3.960 -0.000 0.000 0.298 294 G HA3 0.528 4.487 3.960 -0.000 0.000 0.298 294 G C -1.041 173.891 174.900 0.054 0.000 1.145 294 G CA -0.982 44.130 45.100 0.019 0.000 0.850 294 G HN 0.170 nan 8.290 nan 0.000 0.487 295 P HA 0.107 nan 4.420 nan 0.000 0.221 295 P C 1.387 178.782 177.300 0.158 0.000 1.150 295 P CA 1.646 64.692 63.100 -0.090 0.000 0.800 295 P CB 0.351 31.641 31.700 -0.682 0.000 0.787 296 G N -1.446 107.566 108.800 0.355 0.000 2.659 296 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.214 296 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.214 296 G C -1.011 174.091 174.900 0.336 0.000 1.191 296 G CA -0.587 44.695 45.100 0.303 0.000 1.141 296 G HN 0.181 nan 8.290 nan 0.000 0.581 297 K N 1.333 121.843 120.400 0.183 0.000 2.267 297 K HA 0.533 4.852 4.320 -0.000 0.000 0.246 297 K C 0.406 176.911 176.600 -0.159 0.000 0.954 297 K CA -0.368 55.858 56.287 -0.102 0.000 0.824 297 K CB 1.754 34.223 32.500 -0.051 0.000 1.167 297 K HN 0.754 nan 8.250 nan 0.000 0.431 298 N N -0.472 117.913 118.700 -0.525 0.000 2.383 298 N HA 0.068 4.808 4.740 -0.000 0.000 0.288 298 N C 0.670 176.136 175.510 -0.073 0.000 1.320 298 N CA -0.094 52.790 53.050 -0.277 0.000 0.941 298 N CB -0.326 37.916 38.487 -0.410 0.000 1.078 298 N HN 0.286 nan 8.380 nan 0.000 0.509 299 S N -0.521 115.161 115.700 -0.030 0.000 2.335 299 S HA -0.036 4.433 4.470 -0.000 0.000 0.216 299 S C 1.283 175.870 174.600 -0.023 0.000 1.032 299 S CA 0.952 59.151 58.200 -0.002 0.000 1.000 299 S CB -0.463 62.745 63.200 0.015 0.000 0.928 299 S HN 0.492 nan 8.310 nan 0.000 0.434 300 K N 1.019 121.395 120.400 -0.041 0.000 2.633 300 K HA 0.055 4.374 4.320 -0.000 0.000 0.193 300 K C 1.027 177.598 176.600 -0.048 0.000 1.033 300 K CA 0.478 56.742 56.287 -0.038 0.000 0.980 300 K CB -0.473 32.002 32.500 -0.041 0.000 0.800 300 K HN 0.515 nan 8.250 nan 0.000 0.493 301 G N 0.983 109.745 108.800 -0.062 0.000 2.176 301 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.252 301 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.252 301 G C -0.018 174.830 174.900 -0.088 0.000 1.024 301 G CA -0.042 45.023 45.100 -0.058 0.000 0.755 301 G HN 0.152 nan 8.290 nan 0.000 0.507 302 V N 1.274 121.097 119.914 -0.151 0.000 2.394 302 V HA 0.317 4.437 4.120 -0.000 0.000 0.282 302 V C 0.421 176.342 176.094 -0.287 0.000 1.031 302 V CA -1.131 61.066 62.300 -0.173 0.000 0.881 302 V CB 1.559 33.285 31.823 -0.161 0.000 0.982 302 V HN 0.306 nan 8.190 nan 0.000 0.451 303 D N 3.460 123.756 120.400 -0.173 0.000 2.455 303 D HA 0.059 4.699 4.640 -0.000 0.000 0.241 303 D C 0.697 176.883 176.300 -0.189 0.000 1.138 303 D CA 0.413 54.333 54.000 -0.134 0.000 0.877 303 D CB 1.103 41.906 40.800 0.004 0.000 1.187 303 D HN 0.445 nan 8.370 nan 0.000 0.451 304 F N 0.753 120.699 119.950 -0.007 0.000 2.259 304 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 304 F C 0.681 176.262 175.800 -0.365 0.000 1.088 304 F CA 0.845 58.758 58.000 -0.144 0.000 1.358 304 F CB 0.027 38.959 39.000 -0.112 0.000 1.040 304 F HN 0.327 nan 8.300 nan 0.000 0.505 305 Y N -1.218 119.224 120.300 0.235 0.000 2.581 305 Y HA 0.570 5.120 4.550 -0.000 0.000 0.345 305 Y C 0.578 176.536 175.900 0.098 0.000 1.036 305 Y CA -1.901 56.295 58.100 0.161 0.000 1.042 305 Y CB 0.864 39.419 38.460 0.157 0.000 1.289 305 Y HN -0.225 nan 8.280 nan 0.000 0.471 306 G N 1.365 110.318 108.800 0.255 0.000 2.432 306 G HA2 0.335 4.295 3.960 -0.000 0.000 0.257 306 G HA3 0.335 4.295 3.960 -0.000 0.000 0.257 306 G C -2.060 172.904 174.900 0.107 0.000 1.238 306 G CA -1.276 43.920 45.100 0.159 0.000 0.838 306 G HN 0.421 nan 8.290 nan 0.000 0.547 307 P HA -0.186 nan 4.420 nan 0.000 0.218 307 P C 0.417 177.458 177.300 -0.432 0.000 1.154 307 P CA 1.579 64.514 63.100 -0.273 0.000 0.872 307 P CB 0.026 31.457 31.700 -0.448 0.000 0.790 308 Y N -2.271 118.083 120.300 0.089 0.000 2.507 308 Y HA 0.118 4.668 4.550 -0.000 0.000 0.254 308 Y C 1.628 177.564 175.900 0.060 0.000 1.171 308 Y CA -0.302 57.840 58.100 0.069 0.000 1.238 308 Y CB -0.547 37.945 38.460 0.053 0.000 1.148 308 Y HN -0.120 nan 8.280 nan 0.000 0.525 309 D N 1.095 121.598 120.400 0.173 0.000 2.104 309 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 309 D C 2.254 178.609 176.300 0.091 0.000 0.994 309 D CA 1.683 55.772 54.000 0.147 0.000 0.830 309 D CB -0.249 40.674 40.800 0.204 0.000 0.959 309 D HN 0.366 nan 8.370 nan 0.000 0.452 310 A N 0.770 123.623 122.820 0.055 0.000 1.877 310 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 310 A C 2.131 179.709 177.584 -0.011 0.000 1.186 310 A CA 1.556 53.590 52.037 -0.004 0.000 0.620 310 A CB -0.628 18.361 19.000 -0.019 0.000 0.822 310 A HN 0.240 nan 8.150 nan 0.000 0.443 311 Q N -0.563 119.258 119.800 0.035 0.000 2.050 311 Q HA -0.219 4.120 4.340 -0.000 0.000 0.202 311 Q C 2.020 178.035 176.000 0.025 0.000 0.980 311 Q CA 1.671 57.496 55.803 0.036 0.000 0.840 311 Q CB -0.247 28.567 28.738 0.126 0.000 0.898 311 Q HN 0.774 nan 8.270 nan 0.000 0.424 312 E N 0.775 121.004 120.200 0.047 0.000 2.051 312 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 312 E C 2.077 178.646 176.600 -0.052 0.000 0.991 312 E CA 0.700 57.102 56.400 0.004 0.000 0.799 312 E CB -0.056 29.660 29.700 0.028 0.000 0.748 312 E HN 0.267 nan 8.360 nan 0.000 0.449 313 L N 0.608 121.809 121.223 -0.037 0.000 1.994 313 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 313 L C 2.386 179.219 176.870 -0.061 0.000 1.071 313 L CA 1.182 55.976 54.840 -0.078 0.000 0.745 313 L CB -0.209 41.859 42.059 0.015 0.000 0.892 313 L HN 0.105 nan 8.230 nan 0.000 0.431 314 V N -0.270 119.651 119.914 0.011 0.000 2.343 314 V HA -0.273 3.846 4.120 -0.000 0.000 0.247 314 V C 2.390 178.487 176.094 0.004 0.000 1.051 314 V CA 1.883 64.217 62.300 0.057 0.000 1.036 314 V CB -0.556 31.292 31.823 0.041 0.000 0.654 314 V HN 0.459 nan 8.190 nan 0.000 0.451 315 E N 1.407 121.580 120.200 -0.045 0.000 2.160 315 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 315 E C 2.217 178.725 176.600 -0.154 0.000 0.991 315 E CA 1.596 57.945 56.400 -0.084 0.000 0.810 315 E CB -0.310 29.349 29.700 -0.067 0.000 0.742 315 E HN 0.751 nan 8.360 nan 0.000 0.466 316 S N -1.352 114.229 115.700 -0.197 0.000 2.522 316 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 316 S C 1.085 175.513 174.600 -0.287 0.000 0.986 316 S CA 0.430 58.457 58.200 -0.289 0.000 0.929 316 S CB -0.240 62.726 63.200 -0.389 0.000 0.769 316 S HN 0.313 nan 8.310 nan 0.000 0.529 317 Y N 2.015 122.279 120.300 -0.060 0.000 2.481 317 Y HA 0.352 4.901 4.550 -0.000 0.000 0.247 317 Y C 1.974 177.856 175.900 -0.029 0.000 1.151 317 Y CA -0.811 57.272 58.100 -0.028 0.000 1.238 317 Y CB 0.013 38.463 38.460 -0.016 0.000 1.179 317 Y HN 0.362 nan 8.280 nan 0.000 0.524 318 K N -0.196 120.231 120.400 0.046 0.000 2.032 318 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 318 K C 1.146 177.803 176.600 0.095 0.000 1.048 318 K CA 2.330 58.632 56.287 0.026 0.000 0.927 318 K CB -0.786 31.685 32.500 -0.048 0.000 0.712 318 K HN 0.424 nan 8.250 nan 0.000 0.441 319 H N 0.412 119.521 119.070 0.065 0.000 2.319 319 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 319 H C 2.258 177.629 175.328 0.073 0.000 1.097 319 H CA 1.565 57.647 56.048 0.056 0.000 1.285 319 H CB 0.079 29.870 29.762 0.049 0.000 1.368 319 H HN 0.476 nan 8.280 nan 0.000 0.495 320 E N 0.826 121.164 120.200 0.230 0.000 2.106 320 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 320 E C 1.959 178.655 176.600 0.160 0.000 0.984 320 E CA 0.495 57.001 56.400 0.178 0.000 0.806 320 E CB 0.100 29.913 29.700 0.188 0.000 0.750 320 E HN 0.445 nan 8.360 nan 0.000 0.458 321 L N 0.122 121.435 121.223 0.149 0.000 2.291 321 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 321 L C 0.513 177.450 176.870 0.112 0.000 1.120 321 L CA 0.608 55.520 54.840 0.120 0.000 0.799 321 L CB -0.112 41.973 42.059 0.044 0.000 0.925 321 L HN 0.180 nan 8.230 nan 0.000 0.446 322 D N 0.266 120.732 120.400 0.110 0.000 2.716 322 D HA -0.181 4.459 4.640 -0.000 0.000 0.239 322 D C -0.618 175.714 176.300 0.053 0.000 1.125 322 D CA 0.679 54.733 54.000 0.090 0.000 0.681 322 D CB -0.704 40.151 40.800 0.092 0.000 1.070 322 D HN 0.396 nan 8.370 nan 0.000 0.432 323 I N -2.996 117.591 120.570 0.028 0.000 2.827 323 I HA 0.717 4.887 4.170 -0.000 0.000 0.298 323 I C -0.487 175.582 176.117 -0.079 0.000 1.235 323 I CA -1.192 60.085 61.300 -0.037 0.000 1.021 323 I CB 1.985 39.977 38.000 -0.013 0.000 1.259 323 I HN -0.154 nan 8.210 nan 0.000 0.427 324 E N 3.043 123.095 120.200 -0.247 0.000 2.277 324 E HA 0.639 4.989 4.350 -0.000 0.000 0.274 324 E C -1.403 175.156 176.600 -0.069 0.000 1.022 324 E CA -0.503 55.760 56.400 -0.228 0.000 0.853 324 E CB 1.657 31.046 29.700 -0.520 0.000 1.086 324 E HN 0.563 nan 8.360 nan 0.000 0.397 325 V N 4.608 124.525 119.914 0.005 0.000 2.394 325 V HA 0.316 4.436 4.120 -0.000 0.000 0.282 325 V C -0.501 175.625 176.094 0.053 0.000 1.031 325 V CA -0.830 61.490 62.300 0.034 0.000 0.881 325 V CB 1.621 33.450 31.823 0.011 0.000 0.982 325 V HN 0.529 nan 8.190 nan 0.000 0.451 326 V N 7.941 127.875 119.914 0.034 0.000 2.293 326 V HA 0.323 4.443 4.120 -0.000 0.000 0.275 326 V C -2.420 173.703 176.094 0.047 0.000 1.021 326 V CA -1.879 60.464 62.300 0.071 0.000 0.815 326 V CB 1.511 33.392 31.823 0.097 0.000 1.025 326 V HN 0.751 nan 8.190 nan 0.000 0.448 327 P HA 0.231 nan 4.420 nan 0.000 0.276 327 P C -0.744 176.776 177.300 0.366 0.000 1.243 327 P CA -0.168 63.031 63.100 0.165 0.000 0.768 327 P CB 0.274 32.055 31.700 0.134 0.000 0.856 328 F N 4.343 124.336 119.950 0.070 0.000 2.391 328 F HA 0.315 4.842 4.527 -0.000 0.000 0.359 328 F C 1.118 176.983 175.800 0.109 0.000 1.122 328 F CA -0.669 57.383 58.000 0.086 0.000 1.120 328 F CB 0.492 39.560 39.000 0.114 0.000 1.142 328 F HN 0.069 nan 8.300 nan 0.000 0.483 329 R N 3.488 124.093 120.500 0.174 0.000 2.500 329 R HA 0.274 4.614 4.340 -0.000 0.000 0.275 329 R C 0.136 176.502 176.300 0.110 0.000 1.051 329 R CA -0.901 55.291 56.100 0.155 0.000 1.088 329 R CB 0.901 31.258 30.300 0.095 0.000 1.063 329 R HN 0.716 nan 8.270 nan 0.000 0.511 330 M N 2.025 121.712 119.600 0.145 0.000 2.252 330 M HA 0.046 4.526 4.480 -0.000 0.000 0.348 330 M C -0.795 175.557 176.300 0.087 0.000 1.334 330 M CA 0.389 55.760 55.300 0.118 0.000 1.071 330 M CB 0.454 33.134 32.600 0.133 0.000 1.763 330 M HN 0.205 nan 8.290 nan 0.000 0.452 331 V N 3.273 123.241 119.914 0.089 0.000 3.113 331 V HA 0.749 4.869 4.120 -0.000 0.000 0.316 331 V C -0.232 175.969 176.094 0.178 0.000 1.125 331 V CA -0.750 61.617 62.300 0.112 0.000 1.026 331 V CB 2.228 34.108 31.823 0.095 0.000 1.080 331 V HN 0.897 nan 8.190 nan 0.000 0.444 332 T N 0.092 114.751 114.554 0.176 0.000 2.883 332 T HA 0.536 4.886 4.350 -0.000 0.000 0.301 332 T C -1.994 172.700 174.700 -0.009 0.000 1.158 332 T CA -0.327 61.847 62.100 0.123 0.000 1.007 332 T CB 1.376 70.264 68.868 0.033 0.000 1.186 332 T HN 0.566 nan 8.240 nan 0.000 0.499 333 Y N 3.571 123.661 120.300 -0.349 0.000 2.313 333 Y HA 0.634 5.184 4.550 -0.000 0.000 0.332 333 Y C -0.775 174.800 175.900 -0.543 0.000 1.071 333 Y CA -1.129 56.529 58.100 -0.737 0.000 1.169 333 Y CB 0.623 38.431 38.460 -1.087 0.000 1.192 333 Y HN 0.503 nan 8.280 nan 0.000 0.487 334 L N 10.002 130.542 121.223 -1.139 0.000 2.283 334 L HA 0.299 4.639 4.340 -0.000 0.000 0.281 334 L C -1.877 174.289 176.870 -1.174 0.000 1.033 334 L CA -1.819 52.502 54.840 -0.865 0.000 0.848 334 L CB 1.207 42.965 42.059 -0.501 0.000 1.226 334 L HN 0.560 nan 8.230 nan 0.000 0.429 335 P HA -0.193 nan 4.420 nan 0.000 0.214 335 P C 0.738 177.803 177.300 -0.392 0.000 1.163 335 P CA 1.299 64.011 63.100 -0.647 0.000 0.889 335 P CB 0.231 31.709 31.700 -0.371 0.000 0.790 336 D N -0.939 119.278 120.400 -0.305 0.000 2.384 336 D HA -0.119 4.520 4.640 -0.000 0.000 0.222 336 D C 1.238 177.425 176.300 -0.189 0.000 0.976 336 D CA 0.969 54.850 54.000 -0.198 0.000 0.915 336 D CB -0.184 40.520 40.800 -0.159 0.000 0.896 336 D HN 0.423 nan 8.370 nan 0.000 0.523 337 E N -0.169 119.873 120.200 -0.264 0.000 2.641 337 E HA -0.012 4.338 4.350 -0.000 0.000 0.224 337 E C -0.508 175.971 176.600 -0.201 0.000 0.951 337 E CA -0.140 56.137 56.400 -0.204 0.000 1.102 337 E CB 0.831 30.414 29.700 -0.196 0.000 1.091 337 E HN -0.062 nan 8.360 nan 0.000 0.507 338 D N 1.691 121.913 120.400 -0.296 0.000 2.697 338 D HA -0.210 4.430 4.640 -0.000 0.000 0.235 338 D C -0.786 175.494 176.300 -0.034 0.000 1.167 338 D CA 1.248 55.172 54.000 -0.127 0.000 0.656 338 D CB -0.703 40.117 40.800 0.034 0.000 1.025 338 D HN 0.311 nan 8.370 nan 0.000 0.419 339 R N -1.089 119.276 120.500 -0.226 0.000 2.663 339 R HA 0.598 4.938 4.340 -0.000 0.000 0.267 339 R C -1.473 174.763 176.300 -0.106 0.000 1.038 339 R CA -1.057 55.029 56.100 -0.023 0.000 0.886 339 R CB 0.458 30.743 30.300 -0.025 0.000 1.249 339 R HN -0.054 nan 8.270 nan 0.000 0.463 340 Y N 0.616 120.936 120.300 0.034 0.000 2.310 340 Y HA 0.746 5.296 4.550 -0.000 0.000 0.326 340 Y C 0.304 176.175 175.900 -0.048 0.000 1.151 340 Y CA 0.163 58.275 58.100 0.021 0.000 1.195 340 Y CB 2.196 40.674 38.460 0.031 0.000 1.210 340 Y HN 0.896 nan 8.280 nan 0.000 0.483 341 A N 4.292 127.159 122.820 0.078 0.000 2.539 341 A HA 0.732 5.051 4.320 -0.000 0.000 0.296 341 A C -3.057 174.541 177.584 0.023 0.000 1.073 341 A CA -2.204 49.843 52.037 0.017 0.000 0.700 341 A CB 1.409 20.387 19.000 -0.037 0.000 1.296 341 A HN 0.457 nan 8.150 nan 0.000 0.405 342 P HA 0.078 nan 4.420 nan 0.000 0.266 342 P C 0.938 178.248 177.300 0.018 0.000 1.195 342 P CA -0.239 62.870 63.100 0.016 0.000 0.768 342 P CB 0.339 32.043 31.700 0.006 0.000 0.838 343 I N 1.814 122.405 120.570 0.035 0.000 2.657 343 I HA -0.208 3.962 4.170 -0.000 0.000 0.261 343 I C 1.324 177.452 176.117 0.017 0.000 1.212 343 I CA 1.525 62.843 61.300 0.029 0.000 1.453 343 I CB -1.158 36.873 38.000 0.051 0.000 1.092 343 I HN 0.434 nan 8.210 nan 0.000 0.452 344 D N 1.393 121.804 120.400 0.017 0.000 2.088 344 D HA -0.182 4.458 4.640 -0.000 0.000 0.191 344 D C 1.615 177.912 176.300 -0.005 0.000 0.992 344 D CA 1.167 55.171 54.000 0.006 0.000 0.831 344 D CB -0.414 40.389 40.800 0.004 0.000 0.973 344 D HN 0.490 nan 8.370 nan 0.000 0.447 345 Q N 0.857 120.651 119.800 -0.011 0.000 2.894 345 Q HA 0.189 4.529 4.340 -0.000 0.000 0.358 345 Q C -0.451 175.532 176.000 -0.028 0.000 1.155 345 Q CA 0.022 55.814 55.803 -0.019 0.000 0.960 345 Q CB 0.155 28.881 28.738 -0.021 0.000 1.428 345 Q HN 0.229 nan 8.270 nan 0.000 0.437 346 I N 1.758 122.312 120.570 -0.027 0.000 2.476 346 I HA 0.150 4.320 4.170 -0.000 0.000 0.281 346 I C -0.488 175.608 176.117 -0.036 0.000 1.040 346 I CA -0.767 60.509 61.300 -0.040 0.000 1.094 346 I CB 1.756 39.729 38.000 -0.046 0.000 1.219 346 I HN 0.132 nan 8.210 nan 0.000 0.450 347 D N 4.493 124.869 120.400 -0.040 0.000 2.541 347 D HA -0.039 4.600 4.640 -0.000 0.000 0.231 347 D C 1.565 177.841 176.300 -0.039 0.000 1.163 347 D CA 0.424 54.404 54.000 -0.035 0.000 1.077 347 D CB 0.479 41.258 40.800 -0.035 0.000 1.110 347 D HN 0.601 nan 8.370 nan 0.000 0.499 348 T N 1.341 115.875 114.554 -0.034 0.000 2.792 348 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 348 T C 1.566 176.245 174.700 -0.036 0.000 1.059 348 T CA 2.273 64.352 62.100 -0.035 0.000 1.136 348 T CB 0.097 68.951 68.868 -0.023 0.000 0.846 348 T HN 0.386 nan 8.240 nan 0.000 0.489 349 T N 0.471 115.007 114.554 -0.031 0.000 2.732 349 T HA 0.046 4.396 4.350 -0.000 0.000 0.261 349 T C 1.875 176.554 174.700 -0.035 0.000 1.040 349 T CA 1.055 63.138 62.100 -0.029 0.000 1.145 349 T CB -0.127 68.727 68.868 -0.023 0.000 0.866 349 T HN 0.361 nan 8.240 nan 0.000 0.427 350 K N 1.001 121.378 120.400 -0.039 0.000 2.374 350 K HA 0.111 4.430 4.320 -0.000 0.000 0.196 350 K C -0.488 176.078 176.600 -0.057 0.000 1.023 350 K CA 0.296 56.556 56.287 -0.044 0.000 1.103 350 K CB 0.458 32.934 32.500 -0.039 0.000 0.848 350 K HN 0.185 nan 8.250 nan 0.000 0.528 351 T N 0.703 115.219 114.554 -0.064 0.000 2.848 351 T HA 0.244 4.593 4.350 -0.000 0.000 0.285 351 T C -0.969 173.672 174.700 -0.098 0.000 0.995 351 T CA -0.700 61.348 62.100 -0.086 0.000 0.970 351 T CB 1.989 70.802 68.868 -0.092 0.000 0.976 351 T HN 0.107 nan 8.240 nan 0.000 0.441 352 R N 2.593 123.020 120.500 -0.121 0.000 2.298 352 R HA 0.476 4.816 4.340 -0.000 0.000 0.310 352 R C -0.340 175.849 176.300 -0.185 0.000 1.068 352 R CA -0.207 55.813 56.100 -0.134 0.000 0.957 352 R CB 0.251 30.469 30.300 -0.137 0.000 1.003 352 R HN 0.821 nan 8.270 nan 0.000 0.454 353 T N 2.177 116.634 114.554 -0.161 0.000 2.893 353 T HA 0.510 4.860 4.350 -0.000 0.000 0.293 353 T C -0.427 174.177 174.700 -0.161 0.000 1.027 353 T CA -0.902 61.083 62.100 -0.192 0.000 0.988 353 T CB 1.446 70.236 68.868 -0.129 0.000 1.043 353 T HN 0.404 nan 8.240 nan 0.000 0.461 354 L N 2.793 123.886 121.223 -0.216 0.000 2.365 354 L HA 0.678 5.018 4.340 -0.000 0.000 0.273 354 L C -0.529 176.335 176.870 -0.011 0.000 1.000 354 L CA -0.994 53.752 54.840 -0.157 0.000 0.819 354 L CB 1.897 43.721 42.059 -0.391 0.000 1.284 354 L HN 0.697 nan 8.230 nan 0.000 0.418 355 N N 3.455 122.257 118.700 0.171 0.000 2.331 355 N HA 0.576 5.316 4.740 -0.000 0.000 0.280 355 N C -1.345 174.306 175.510 0.235 0.000 1.155 355 N CA -0.427 52.795 53.050 0.286 0.000 0.822 355 N CB 3.080 41.675 38.487 0.180 0.000 1.619 355 N HN 0.417 nan 8.380 nan 0.000 0.476 356 I N 1.418 122.092 120.570 0.174 0.000 2.411 356 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 356 I C 0.730 176.806 176.117 -0.068 0.000 1.012 356 I CA -0.541 60.657 61.300 -0.169 0.000 1.119 356 I CB 1.462 38.913 38.000 -0.916 0.000 1.261 356 I HN 0.500 nan 8.210 nan 0.000 0.448 357 S N 3.769 119.451 115.700 -0.030 0.000 2.589 357 S HA 0.169 4.638 4.470 -0.000 0.000 0.265 357 S C 1.386 176.002 174.600 0.026 0.000 1.342 357 S CA -0.078 58.142 58.200 0.033 0.000 1.005 357 S CB 1.315 64.530 63.200 0.026 0.000 0.909 357 S HN 0.808 nan 8.310 nan 0.000 0.555 358 G N 0.136 108.988 108.800 0.087 0.000 2.443 358 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.219 358 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.219 358 G C 1.148 176.078 174.900 0.050 0.000 1.131 358 G CA 0.932 46.094 45.100 0.104 0.000 0.775 358 G HN 0.723 nan 8.290 nan 0.000 0.547 359 T N 0.345 114.916 114.554 0.029 0.000 2.896 359 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 359 T C 2.199 176.885 174.700 -0.024 0.000 1.050 359 T CA 1.376 63.482 62.100 0.011 0.000 1.140 359 T CB 0.001 68.878 68.868 0.015 0.000 0.877 359 T HN 0.346 nan 8.240 nan 0.000 0.457 360 E N 1.155 121.324 120.200 -0.051 0.000 2.150 360 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 360 E C 1.913 178.430 176.600 -0.139 0.000 0.985 360 E CA 0.525 56.868 56.400 -0.094 0.000 0.814 360 E CB -0.471 29.160 29.700 -0.115 0.000 0.752 360 E HN 0.331 nan 8.360 nan 0.000 0.466 361 L N 0.625 121.758 121.223 -0.150 0.000 2.072 361 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 361 L C 2.414 179.241 176.870 -0.072 0.000 1.079 361 L CA 1.800 56.543 54.840 -0.161 0.000 0.752 361 L CB -0.516 41.484 42.059 -0.098 0.000 0.906 361 L HN 0.053 nan 8.230 nan 0.000 0.436 362 R N -0.522 119.960 120.500 -0.030 0.000 2.105 362 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 362 R C 2.567 178.847 176.300 -0.034 0.000 1.135 362 R CA 1.731 57.824 56.100 -0.011 0.000 0.967 362 R CB -0.252 30.053 30.300 0.008 0.000 0.861 362 R HN 0.414 nan 8.270 nan 0.000 0.442 363 R N 0.418 120.889 120.500 -0.050 0.000 2.066 363 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 363 R C 2.130 178.385 176.300 -0.076 0.000 1.131 363 R CA 1.454 57.518 56.100 -0.060 0.000 0.955 363 R CB -0.109 30.155 30.300 -0.060 0.000 0.851 363 R HN 0.191 nan 8.270 nan 0.000 0.432 364 R N 0.245 120.690 120.500 -0.091 0.000 2.193 364 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 364 R C 2.237 178.488 176.300 -0.082 0.000 1.110 364 R CA 1.015 57.055 56.100 -0.099 0.000 0.988 364 R CB -0.168 30.052 30.300 -0.134 0.000 0.871 364 R HN 0.320 nan 8.270 nan 0.000 0.458 365 L N -0.261 120.921 121.223 -0.067 0.000 2.270 365 L HA -0.022 4.317 4.340 -0.000 0.000 0.210 365 L C 2.659 179.494 176.870 -0.059 0.000 1.104 365 L CA 0.714 55.524 54.840 -0.050 0.000 0.804 365 L CB -0.191 41.852 42.059 -0.026 0.000 0.937 365 L HN 0.119 nan 8.230 nan 0.000 0.450 366 R N -0.387 120.072 120.500 -0.068 0.000 2.093 366 R HA -0.068 4.272 4.340 -0.000 0.000 0.224 366 R C 1.990 178.218 176.300 -0.119 0.000 1.101 366 R CA 0.965 57.010 56.100 -0.091 0.000 0.979 366 R CB 0.192 30.440 30.300 -0.087 0.000 0.877 366 R HN 0.149 nan 8.270 nan 0.000 0.441 367 V N -0.586 119.265 119.914 -0.104 0.000 2.878 367 V HA 0.131 4.251 4.120 -0.000 0.000 0.250 367 V C 1.181 177.220 176.094 -0.092 0.000 1.075 367 V CA 1.154 63.390 62.300 -0.107 0.000 1.096 367 V CB 0.391 32.158 31.823 -0.093 0.000 0.724 367 V HN 0.688 nan 8.190 nan 0.000 0.467 368 G N 0.152 108.904 108.800 -0.080 0.000 2.132 368 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.228 368 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.228 368 G C 0.453 175.315 174.900 -0.063 0.000 1.000 368 G CA -0.011 45.049 45.100 -0.066 0.000 0.693 368 G HN 0.897 nan 8.290 nan 0.000 0.515 369 G N -0.920 107.838 108.800 -0.071 0.000 2.616 369 G HA2 0.532 4.492 3.960 -0.000 0.000 0.268 369 G HA3 0.532 4.492 3.960 -0.000 0.000 0.268 369 G C 0.094 174.948 174.900 -0.078 0.000 1.213 369 G CA -0.433 44.624 45.100 -0.072 0.000 0.926 369 G HN 0.239 nan 8.290 nan 0.000 0.523 370 E N -0.811 119.342 120.200 -0.078 0.000 2.373 370 E HA 0.249 4.599 4.350 -0.000 0.000 0.263 370 E C -0.278 176.241 176.600 -0.135 0.000 1.073 370 E CA 0.195 56.542 56.400 -0.087 0.000 0.894 370 E CB 1.725 31.384 29.700 -0.069 0.000 1.008 370 E HN 0.228 nan 8.360 nan 0.000 0.420 371 I N 3.721 124.198 120.570 -0.155 0.000 2.439 371 I HA 0.196 4.366 4.170 -0.000 0.000 0.283 371 I C -2.191 173.758 176.117 -0.280 0.000 1.023 371 I CA -2.129 59.027 61.300 -0.240 0.000 1.100 371 I CB 1.725 39.618 38.000 -0.178 0.000 1.238 371 I HN 0.138 nan 8.210 nan 0.000 0.445 372 P HA -0.067 nan 4.420 nan 0.000 0.268 372 P C 0.547 177.516 177.300 -0.551 0.000 1.189 372 P CA 0.193 62.957 63.100 -0.561 0.000 0.771 372 P CB 0.876 31.895 31.700 -1.136 0.000 0.822 373 E N 1.645 121.644 120.200 -0.335 0.000 2.152 373 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 373 E C 1.434 177.871 176.600 -0.272 0.000 0.983 373 E CA 0.870 57.141 56.400 -0.216 0.000 0.818 373 E CB -0.260 29.405 29.700 -0.059 0.000 0.758 373 E HN 0.635 nan 8.360 nan 0.000 0.467 374 W N -0.326 120.835 121.300 -0.231 0.000 2.425 374 W HA -0.116 4.543 4.660 -0.000 0.000 0.277 374 W C 1.480 177.790 176.519 -0.348 0.000 1.231 374 W CA 0.084 57.179 57.345 -0.418 0.000 1.248 374 W CB -0.932 27.969 29.460 -0.932 0.000 1.117 374 W HN 0.067 nan 8.180 nan 0.000 0.568 375 F N 1.990 121.361 119.950 -0.964 0.000 2.219 375 F HA 0.204 4.731 4.527 -0.000 0.000 0.294 375 F C 0.769 176.308 175.800 -0.434 0.000 1.086 375 F CA 1.567 59.122 58.000 -0.742 0.000 1.330 375 F CB -0.076 38.200 39.000 -1.207 0.000 1.047 375 F HN -0.209 nan 8.300 nan 0.000 0.495 376 S N -1.256 114.175 115.700 -0.448 0.000 2.543 376 S HA 0.342 4.812 4.470 -0.000 0.000 0.271 376 S C -1.481 172.977 174.600 -0.237 0.000 1.148 376 S CA -0.696 57.300 58.200 -0.340 0.000 0.914 376 S CB 0.155 63.285 63.200 -0.117 0.000 1.096 376 S HN 0.091 nan 8.310 nan 0.000 0.471 377 Y N 3.494 123.784 120.300 -0.016 0.000 2.805 377 Y HA 0.074 4.623 4.550 -0.000 0.000 0.337 377 Y C -1.363 174.537 175.900 0.001 0.000 1.252 377 Y CA -0.596 57.501 58.100 -0.005 0.000 1.515 377 Y CB -0.101 38.363 38.460 0.007 0.000 1.305 377 Y HN 0.562 nan 8.280 nan 0.000 0.600 378 P HA -0.231 nan 4.420 nan 0.000 0.215 378 P C 0.923 178.269 177.300 0.076 0.000 1.163 378 P CA 2.061 65.204 63.100 0.073 0.000 0.894 378 P CB 0.271 32.008 31.700 0.063 0.000 0.791 379 E N -0.770 119.485 120.200 0.092 0.000 2.118 379 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 379 E C 1.965 178.601 176.600 0.059 0.000 0.992 379 E CA 1.002 57.438 56.400 0.060 0.000 0.804 379 E CB -1.382 28.345 29.700 0.045 0.000 0.741 379 E HN 0.090 nan 8.360 nan 0.000 0.458 380 V N 0.316 120.290 119.914 0.100 0.000 2.358 380 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 380 V C 2.209 178.349 176.094 0.078 0.000 1.047 380 V CA 1.317 63.672 62.300 0.090 0.000 1.035 380 V CB -0.405 31.514 31.823 0.160 0.000 0.658 380 V HN 0.152 nan 8.190 nan 0.000 0.452 381 V N 0.209 120.172 119.914 0.082 0.000 2.343 381 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 381 V C 2.464 178.578 176.094 0.032 0.000 1.051 381 V CA 2.307 64.641 62.300 0.057 0.000 1.036 381 V CB -0.750 31.090 31.823 0.028 0.000 0.654 381 V HN 0.537 nan 8.190 nan 0.000 0.451 382 K N 0.754 121.170 120.400 0.027 0.000 2.020 382 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 382 K C 1.832 178.438 176.600 0.010 0.000 1.050 382 K CA 2.026 58.321 56.287 0.015 0.000 0.929 382 K CB -0.616 31.894 32.500 0.016 0.000 0.714 382 K HN 0.453 nan 8.250 nan 0.000 0.443 383 I N 0.366 120.942 120.570 0.010 0.000 2.163 383 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 383 I C 2.192 178.307 176.117 -0.003 0.000 1.085 383 I CA 1.302 62.601 61.300 -0.003 0.000 1.347 383 I CB -0.268 37.722 38.000 -0.016 0.000 1.044 383 I HN 0.153 nan 8.210 nan 0.000 0.408 384 L N -0.134 121.095 121.223 0.010 0.000 2.093 384 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 384 L C 2.802 179.678 176.870 0.010 0.000 1.085 384 L CA 1.013 55.863 54.840 0.016 0.000 0.755 384 L CB -0.606 41.484 42.059 0.052 0.000 0.904 384 L HN 0.198 nan 8.230 nan 0.000 0.435 385 R N 0.406 120.910 120.500 0.007 0.000 2.081 385 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 385 R C 2.032 178.329 176.300 -0.006 0.000 1.131 385 R CA 1.335 57.434 56.100 -0.003 0.000 0.960 385 R CB -0.415 29.881 30.300 -0.006 0.000 0.856 385 R HN 0.530 nan 8.270 nan 0.000 0.436 386 E N -0.119 120.077 120.200 -0.005 0.000 2.208 386 E HA -0.055 4.294 4.350 -0.000 0.000 0.193 386 E C 1.839 178.432 176.600 -0.011 0.000 0.988 386 E CA 0.909 57.304 56.400 -0.009 0.000 0.828 386 E CB 0.103 29.797 29.700 -0.009 0.000 0.763 386 E HN 0.181 nan 8.360 nan 0.000 0.478 387 S N 0.473 116.168 115.700 -0.010 0.000 2.439 387 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 387 S C 0.944 175.540 174.600 -0.006 0.000 1.029 387 S CA 0.142 58.335 58.200 -0.011 0.000 0.946 387 S CB 0.044 63.237 63.200 -0.012 0.000 0.797 387 S HN 0.201 nan 8.310 nan 0.000 0.504 388 N N 1.768 120.466 118.700 -0.002 0.000 2.904 388 N HA 0.271 5.011 4.740 -0.000 0.000 0.257 388 N C -3.184 172.321 175.510 -0.008 0.000 1.363 388 N CA -1.828 51.221 53.050 -0.001 0.000 0.856 388 N CB 0.921 39.412 38.487 0.006 0.000 1.166 388 N HN 0.039 nan 8.380 nan 0.000 0.499 389 P HA 0.093 nan 4.420 nan 0.000 0.267 389 P C -2.547 174.735 177.300 -0.031 0.000 1.200 389 P CA -0.673 62.418 63.100 -0.015 0.000 0.772 389 P CB 0.478 32.175 31.700 -0.004 0.000 0.855 390 P HA 0.141 nan 4.420 nan 0.000 0.276 390 P C 0.833 178.066 177.300 -0.113 0.000 1.252 390 P CA -0.297 62.754 63.100 -0.080 0.000 0.802 390 P CB 0.833 32.489 31.700 -0.075 0.000 1.035 391 R N 1.292 121.669 120.500 -0.205 0.000 2.159 391 R HA -0.177 4.163 4.340 -0.000 0.000 0.252 391 R C -0.672 175.485 176.300 -0.237 0.000 1.144 391 R CA 2.359 58.235 56.100 -0.373 0.000 0.961 391 R CB -2.693 27.266 30.300 -0.568 0.000 0.877 391 R HN 0.512 nan 8.270 nan 0.000 0.444 392 P HA -0.093 nan 4.420 nan 0.000 0.222 392 P C 0.723 178.050 177.300 0.046 0.000 1.147 392 P CA 1.310 64.393 63.100 -0.027 0.000 0.790 392 P CB 0.093 31.768 31.700 -0.041 0.000 0.780 393 K N -1.339 119.073 120.400 0.020 0.000 2.358 393 K HA 0.183 4.502 4.320 -0.000 0.000 0.200 393 K C 0.694 177.335 176.600 0.069 0.000 1.030 393 K CA 0.088 56.402 56.287 0.045 0.000 1.097 393 K CB 0.347 32.857 32.500 0.017 0.000 0.862 393 K HN 0.361 nan 8.250 nan 0.000 0.534 394 Q N -0.096 119.764 119.800 0.101 0.000 2.260 394 Q HA 0.367 4.707 4.340 -0.000 0.000 0.238 394 Q C 0.430 176.620 176.000 0.317 0.000 0.948 394 Q CA -0.366 55.542 55.803 0.175 0.000 0.895 394 Q CB 1.205 30.030 28.738 0.145 0.000 1.218 394 Q HN 0.185 nan 8.270 nan 0.000 0.470 395 G N 0.383 109.333 108.800 0.250 0.000 2.531 395 G HA2 0.689 4.649 3.960 -0.000 0.000 0.313 395 G HA3 0.689 4.649 3.960 -0.000 0.000 0.313 395 G C -1.033 174.039 174.900 0.286 0.000 1.238 395 G CA -0.351 44.830 45.100 0.136 0.000 0.994 395 G HN 0.594 nan 8.290 nan 0.000 0.493 396 F N -3.046 116.909 119.950 0.007 0.000 2.978 396 F HA 0.738 5.265 4.527 -0.000 0.000 0.324 396 F C -0.877 174.913 175.800 -0.018 0.000 1.157 396 F CA -1.407 56.561 58.000 -0.054 0.000 0.879 396 F CB 1.040 39.857 39.000 -0.306 0.000 1.364 396 F HN 0.525 nan 8.300 nan 0.000 0.465 397 S N 0.900 116.792 115.700 0.321 0.000 2.548 397 S HA 0.749 5.219 4.470 -0.000 0.000 0.276 397 S C -1.316 173.515 174.600 0.384 0.000 1.129 397 S CA -0.604 57.752 58.200 0.261 0.000 0.931 397 S CB 1.768 65.059 63.200 0.150 0.000 1.068 397 S HN 0.635 nan 8.310 nan 0.000 0.480 398 I N 2.680 123.480 120.570 0.383 0.000 2.390 398 I HA 0.333 4.503 4.170 -0.000 0.000 0.283 398 I C -0.835 175.410 176.117 0.213 0.000 1.016 398 I CA -0.738 60.753 61.300 0.318 0.000 1.151 398 I CB 1.479 39.709 38.000 0.385 0.000 1.293 398 I HN 0.262 nan 8.210 nan 0.000 0.458 399 V N 7.344 127.339 119.914 0.135 0.000 2.385 399 V HA 0.226 4.346 4.120 -0.000 0.000 0.269 399 V C 0.503 176.611 176.094 0.023 0.000 1.043 399 V CA -0.551 61.789 62.300 0.068 0.000 0.906 399 V CB 1.119 32.901 31.823 -0.070 0.000 0.995 399 V HN 0.500 nan 8.190 nan 0.000 0.467 400 L N 5.637 126.887 121.223 0.044 0.000 2.565 400 L HA 0.235 4.575 4.340 -0.000 0.000 0.275 400 L C 1.439 178.299 176.870 -0.017 0.000 1.137 400 L CA 0.241 55.092 54.840 0.019 0.000 0.915 400 L CB -0.178 41.901 42.059 0.033 0.000 1.232 400 L HN 0.821 nan 8.230 nan 0.000 0.473 401 G N 2.947 111.726 108.800 -0.035 0.000 2.750 401 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.250 401 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.250 401 G C 0.625 175.500 174.900 -0.042 0.000 1.230 401 G CA -0.222 44.845 45.100 -0.055 0.000 0.883 401 G HN 0.821 nan 8.290 nan 0.000 0.573 402 N N -0.771 117.900 118.700 -0.049 0.000 2.300 402 N HA -0.106 4.634 4.740 -0.000 0.000 0.179 402 N C 2.495 177.991 175.510 -0.023 0.000 1.016 402 N CA 1.033 54.062 53.050 -0.034 0.000 0.876 402 N CB 0.062 38.526 38.487 -0.038 0.000 0.979 402 N HN 0.502 nan 8.380 nan 0.000 0.432 403 S N 0.793 116.479 115.700 -0.024 0.000 2.474 403 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 403 S C 0.730 175.322 174.600 -0.012 0.000 0.997 403 S CA 0.245 58.435 58.200 -0.016 0.000 0.949 403 S CB -0.538 62.652 63.200 -0.016 0.000 0.766 403 S HN 0.171 nan 8.310 nan 0.000 0.517 404 L N 2.915 124.130 121.223 -0.012 0.000 2.462 404 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 404 L C 1.741 178.606 176.870 -0.007 0.000 1.166 404 L CA 0.184 55.020 54.840 -0.007 0.000 0.880 404 L CB 0.447 42.504 42.059 -0.004 0.000 1.142 404 L HN 0.408 nan 8.230 nan 0.000 0.473 405 T N -0.906 113.644 114.554 -0.007 0.000 3.022 405 T HA 0.125 4.475 4.350 -0.000 0.000 0.250 405 T C 0.701 175.396 174.700 -0.008 0.000 1.060 405 T CA -0.256 61.840 62.100 -0.008 0.000 1.013 405 T CB 0.180 69.042 68.868 -0.010 0.000 0.982 405 T HN 0.189 nan 8.240 nan 0.000 0.508 406 V N 2.536 122.447 119.914 -0.006 0.000 3.237 406 V HA 0.245 4.365 4.120 -0.000 0.000 0.305 406 V C 1.032 177.121 176.094 -0.007 0.000 1.096 406 V CA -0.479 61.818 62.300 -0.006 0.000 1.130 406 V CB 1.201 33.024 31.823 -0.001 0.000 1.048 406 V HN 0.552 nan 8.190 nan 0.000 0.484 407 S N 1.904 117.599 115.700 -0.009 0.000 2.515 407 S HA 0.083 4.553 4.470 -0.000 0.000 0.285 407 S C 1.224 175.818 174.600 -0.010 0.000 1.265 407 S CA -0.093 58.101 58.200 -0.011 0.000 1.079 407 S CB -0.052 63.140 63.200 -0.013 0.000 0.877 407 S HN 0.642 nan 8.310 nan 0.000 0.493 408 R N 3.153 123.648 120.500 -0.009 0.000 2.119 408 R HA -0.011 4.328 4.340 -0.000 0.000 0.222 408 R C 2.239 178.534 176.300 -0.009 0.000 1.088 408 R CA 1.287 57.383 56.100 -0.006 0.000 0.984 408 R CB -0.106 30.192 30.300 -0.003 0.000 0.884 408 R HN 0.804 nan 8.270 nan 0.000 0.447 409 E N 0.515 120.707 120.200 -0.013 0.000 2.072 409 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 409 E C 1.728 178.314 176.600 -0.023 0.000 0.985 409 E CA 0.956 57.346 56.400 -0.017 0.000 0.801 409 E CB 0.288 29.977 29.700 -0.018 0.000 0.750 409 E HN 0.207 nan 8.360 nan 0.000 0.452 410 Q N 0.186 119.972 119.800 -0.024 0.000 2.187 410 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 410 Q C 2.215 178.192 176.000 -0.039 0.000 0.957 410 Q CA 0.508 56.292 55.803 -0.031 0.000 0.857 410 Q CB -0.193 28.530 28.738 -0.026 0.000 0.929 410 Q HN 0.289 nan 8.270 nan 0.000 0.453 411 L N 0.543 121.747 121.223 -0.031 0.000 2.072 411 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 411 L C 2.047 178.882 176.870 -0.058 0.000 1.079 411 L CA 1.647 56.464 54.840 -0.038 0.000 0.752 411 L CB -0.687 41.361 42.059 -0.019 0.000 0.906 411 L HN -0.028 nan 8.230 nan 0.000 0.436 412 S N -0.217 115.460 115.700 -0.039 0.000 2.368 412 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 412 S C 1.994 176.546 174.600 -0.079 0.000 1.030 412 S CA 1.719 59.895 58.200 -0.040 0.000 0.999 412 S CB -0.420 62.778 63.200 -0.003 0.000 0.844 412 S HN 0.475 nan 8.310 nan 0.000 0.459 413 I N 1.616 122.144 120.570 -0.070 0.000 2.286 413 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 413 I C 2.636 178.678 176.117 -0.125 0.000 1.115 413 I CA 1.123 62.374 61.300 -0.083 0.000 1.392 413 I CB -0.420 37.544 38.000 -0.060 0.000 1.065 413 I HN 0.274 nan 8.210 nan 0.000 0.418 414 A N 0.641 123.385 122.820 -0.127 0.000 1.930 414 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 414 A C 2.279 179.706 177.584 -0.261 0.000 1.175 414 A CA 1.133 53.077 52.037 -0.155 0.000 0.627 414 A CB -0.631 18.303 19.000 -0.110 0.000 0.815 414 A HN 0.358 nan 8.150 nan 0.000 0.443 415 L N -1.103 119.927 121.223 -0.322 0.000 2.056 415 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 415 L C 2.530 178.905 176.870 -0.826 0.000 1.078 415 L CA 1.013 55.462 54.840 -0.652 0.000 0.749 415 L CB -0.445 41.290 42.059 -0.540 0.000 0.901 415 L HN 0.460 nan 8.230 nan 0.000 0.433 416 L N -0.720 120.254 121.223 -0.415 0.000 2.017 416 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 416 L C 2.547 179.253 176.870 -0.275 0.000 1.073 416 L CA 1.860 56.542 54.840 -0.263 0.000 0.745 416 L CB -0.523 41.464 42.059 -0.120 0.000 0.894 416 L HN 0.065 nan 8.230 nan 0.000 0.432 417 S N -1.291 114.262 115.700 -0.245 0.000 2.402 417 S HA -0.138 4.331 4.470 -0.000 0.000 0.229 417 S C 1.748 176.170 174.600 -0.298 0.000 1.021 417 S CA 1.453 59.522 58.200 -0.219 0.000 0.974 417 S CB -0.393 62.710 63.200 -0.162 0.000 0.800 417 S HN 0.598 nan 8.310 nan 0.000 0.484 418 T N 2.026 116.359 114.554 -0.368 0.000 2.770 418 T HA 0.025 4.374 4.350 -0.000 0.000 0.263 418 T C 1.376 175.649 174.700 -0.712 0.000 1.039 418 T CA 0.892 62.724 62.100 -0.445 0.000 1.142 418 T CB -0.350 68.319 68.868 -0.331 0.000 0.868 418 T HN 0.268 nan 8.240 nan 0.000 0.435 419 F N 1.599 121.149 119.950 -0.667 0.000 2.126 419 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 419 F C 2.143 177.392 175.800 -0.918 0.000 1.096 419 F CA 0.204 57.687 58.000 -0.862 0.000 1.255 419 F CB -1.350 37.125 39.000 -0.876 0.000 0.997 419 F HN 0.117 nan 8.300 nan 0.000 0.479 420 L N -0.503 120.445 121.223 -0.460 0.000 2.353 420 L HA -0.231 4.108 4.340 -0.000 0.000 0.220 420 L C 2.254 178.988 176.870 -0.227 0.000 1.133 420 L CA 0.910 55.594 54.840 -0.260 0.000 0.798 420 L CB -0.671 41.291 42.059 -0.161 0.000 0.922 420 L HN 0.265 nan 8.230 nan 0.000 0.445 421 Q N -0.792 118.760 119.800 -0.415 0.000 2.123 421 Q HA -0.144 4.195 4.340 -0.000 0.000 0.199 421 Q C 2.085 178.044 176.000 -0.069 0.000 0.966 421 Q CA 1.257 56.893 55.803 -0.278 0.000 0.845 421 Q CB -0.055 28.459 28.738 -0.373 0.000 0.907 421 Q HN 0.418 nan 8.270 nan 0.000 0.439 422 F N 0.320 120.251 119.950 -0.031 0.000 2.186 422 F HA 0.091 4.618 4.527 -0.000 0.000 0.299 422 F C 1.760 177.562 175.800 0.003 0.000 1.090 422 F CA 0.879 58.862 58.000 -0.028 0.000 1.307 422 F CB -1.267 37.571 39.000 -0.269 0.000 1.019 422 F HN 0.129 nan 8.300 nan 0.000 0.489 423 G N -0.359 108.568 108.800 0.211 0.000 2.692 423 G HA2 0.179 4.139 3.960 -0.000 0.000 0.248 423 G HA3 0.179 4.139 3.960 -0.000 0.000 0.248 423 G C 0.811 175.834 174.900 0.205 0.000 1.340 423 G CA 0.135 45.352 45.100 0.195 0.000 0.896 423 G HN 1.433 nan 8.290 nan 0.000 0.570 424 G N -2.725 106.166 108.800 0.152 0.000 2.164 424 G HA2 0.477 4.437 3.960 -0.000 0.000 0.154 424 G HA3 0.477 4.437 3.960 -0.000 0.000 0.154 424 G C 1.606 176.577 174.900 0.119 0.000 1.014 424 G CA 0.702 45.875 45.100 0.122 0.000 0.683 424 G HN 3.058 nan 8.290 nan 0.000 0.500 425 G N -0.536 108.339 108.800 0.126 0.000 2.241 425 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 425 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 425 G C 0.525 175.484 174.900 0.097 0.000 0.998 425 G CA 1.142 46.304 45.100 0.103 0.000 0.621 425 G HN 1.191 nan 8.290 nan 0.000 0.519 426 R N 0.071 120.625 120.500 0.091 0.000 2.590 426 R HA 0.459 4.799 4.340 -0.000 0.000 0.274 426 R C -0.405 175.802 176.300 -0.155 0.000 1.061 426 R CA -0.508 55.550 56.100 -0.070 0.000 1.081 426 R CB 0.122 30.311 30.300 -0.185 0.000 0.984 426 R HN 0.290 nan 8.270 nan 0.000 0.448 427 Y N 4.238 124.355 120.300 -0.305 0.000 2.326 427 Y HA 0.246 4.796 4.550 -0.000 0.000 0.337 427 Y C -1.365 174.302 175.900 -0.389 0.000 1.023 427 Y CA -0.299 57.686 58.100 -0.192 0.000 1.143 427 Y CB 0.661 39.081 38.460 -0.067 0.000 1.183 427 Y HN 0.485 nan 8.280 nan 0.000 0.485 428 Y N 4.542 124.650 120.300 -0.319 0.000 2.446 428 Y HA 0.543 5.092 4.550 -0.000 0.000 0.338 428 Y C -0.457 175.271 175.900 -0.285 0.000 1.055 428 Y CA -0.883 57.105 58.100 -0.186 0.000 1.101 428 Y CB 1.947 40.400 38.460 -0.012 0.000 1.221 428 Y HN 0.519 nan 8.280 nan 0.000 0.460 429 K N 1.954 122.367 120.400 0.022 0.000 2.542 429 K HA 0.529 4.849 4.320 -0.000 0.000 0.259 429 K C -2.049 174.585 176.600 0.057 0.000 0.932 429 K CA -0.362 55.922 56.287 -0.004 0.000 0.820 429 K CB 1.175 33.645 32.500 -0.050 0.000 1.345 429 K HN 0.693 nan 8.250 nan 0.000 0.432 430 I N 4.531 125.147 120.570 0.076 0.000 2.337 430 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 430 I C -0.674 175.540 176.117 0.160 0.000 1.046 430 I CA -0.592 60.771 61.300 0.105 0.000 1.324 430 I CB 0.432 38.466 38.000 0.057 0.000 1.409 430 I HN 0.519 nan 8.210 nan 0.000 0.494 431 F N 6.851 126.809 119.950 0.014 0.000 2.388 431 F HA 0.351 4.878 4.527 -0.000 0.000 0.358 431 F C 0.141 176.015 175.800 0.122 0.000 1.122 431 F CA -0.507 57.513 58.000 0.033 0.000 1.056 431 F CB 0.769 39.769 39.000 -0.002 0.000 1.155 431 F HN 0.402 nan 8.300 nan 0.000 0.461 432 E N 5.754 125.768 120.200 -0.310 0.000 2.113 432 E HA 0.120 4.469 4.350 -0.000 0.000 0.273 432 E C 0.235 176.559 176.600 -0.459 0.000 0.924 432 E CA -0.318 55.925 56.400 -0.263 0.000 0.764 432 E CB 0.637 30.222 29.700 -0.192 0.000 1.104 432 E HN 0.701 nan 8.360 nan 0.000 0.406 433 H N 2.408 121.314 119.070 -0.274 0.000 2.553 433 H HA 0.120 4.676 4.556 -0.000 0.000 0.276 433 H C 0.024 175.306 175.328 -0.075 0.000 0.979 433 H CA -0.014 55.910 56.048 -0.206 0.000 1.268 433 H CB 0.273 30.049 29.762 0.023 0.000 1.450 433 H HN 0.465 nan 8.280 nan 0.000 0.527 434 N N 1.465 119.857 118.700 -0.512 0.000 2.735 434 N HA -0.248 4.492 4.740 -0.000 0.000 0.248 434 N C -0.232 175.242 175.510 -0.060 0.000 1.083 434 N CA 1.141 54.038 53.050 -0.255 0.000 0.703 434 N CB -1.884 36.520 38.487 -0.138 0.000 1.005 434 N HN 0.613 nan 8.380 nan 0.000 0.550 435 N N -1.073 117.697 118.700 0.116 0.000 2.714 435 N HA -0.216 4.523 4.740 -0.000 0.000 0.250 435 N C -0.993 174.625 175.510 0.179 0.000 1.117 435 N CA 1.512 54.748 53.050 0.311 0.000 0.719 435 N CB -0.433 38.169 38.487 0.191 0.000 1.081 435 N HN 0.518 nan 8.380 nan 0.000 0.557 436 K N -0.704 119.785 120.400 0.148 0.000 2.156 436 K HA 0.259 4.578 4.320 -0.000 0.000 0.271 436 K C 1.125 177.768 176.600 0.072 0.000 0.995 436 K CA -0.174 56.161 56.287 0.080 0.000 0.890 436 K CB 0.888 33.415 32.500 0.046 0.000 1.073 436 K HN 0.050 nan 8.250 nan 0.000 0.454 437 T N 2.032 116.609 114.554 0.039 0.000 2.821 437 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 437 T C 1.096 175.807 174.700 0.019 0.000 1.046 437 T CA 1.398 63.505 62.100 0.011 0.000 1.139 437 T CB -0.040 68.830 68.868 0.003 0.000 0.871 437 T HN 0.561 nan 8.240 nan 0.000 0.454 438 E N 1.054 121.272 120.200 0.031 0.000 2.267 438 E HA -0.010 4.340 4.350 -0.000 0.000 0.197 438 E C 1.903 178.553 176.600 0.083 0.000 0.998 438 E CA 0.709 57.132 56.400 0.039 0.000 0.830 438 E CB -0.338 29.382 29.700 0.033 0.000 0.751 438 E HN 0.438 nan 8.360 nan 0.000 0.491 439 L N -0.646 120.645 121.223 0.113 0.000 2.316 439 L HA 0.094 4.434 4.340 -0.000 0.000 0.207 439 L C 2.040 179.099 176.870 0.315 0.000 1.070 439 L CA 0.189 55.173 54.840 0.240 0.000 0.820 439 L CB -0.145 41.986 42.059 0.120 0.000 0.992 439 L HN 0.121 nan 8.230 nan 0.000 0.466 440 L N -0.487 120.810 121.223 0.124 0.000 2.083 440 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 440 L C 2.496 179.305 176.870 -0.101 0.000 1.083 440 L CA 1.014 55.813 54.840 -0.068 0.000 0.752 440 L CB -0.450 41.448 42.059 -0.267 0.000 0.899 440 L HN 0.206 nan 8.230 nan 0.000 0.433 441 S N -0.111 115.561 115.700 -0.046 0.000 2.507 441 S HA -0.025 4.444 4.470 -0.000 0.000 0.235 441 S C 1.796 176.363 174.600 -0.055 0.000 0.988 441 S CA 0.808 58.971 58.200 -0.061 0.000 0.944 441 S CB -0.084 63.093 63.200 -0.039 0.000 0.762 441 S HN 0.354 nan 8.310 nan 0.000 0.526 442 L N 0.328 121.551 121.223 -0.001 0.000 2.477 442 L HA 0.195 4.535 4.340 -0.000 0.000 0.220 442 L C 1.800 178.610 176.870 -0.101 0.000 1.106 442 L CA 0.239 55.049 54.840 -0.050 0.000 0.851 442 L CB -0.422 41.685 42.059 0.080 0.000 0.994 442 L HN 0.284 nan 8.230 nan 0.000 0.462 443 I N 0.149 120.640 120.570 -0.131 0.000 2.151 443 I HA -0.347 3.822 4.170 -0.000 0.000 0.243 443 I C 2.623 178.685 176.117 -0.093 0.000 1.080 443 I CA 1.451 62.640 61.300 -0.184 0.000 1.339 443 I CB -0.167 37.715 38.000 -0.197 0.000 1.039 443 I HN 0.304 nan 8.210 nan 0.000 0.409 444 Q N 0.701 120.442 119.800 -0.098 0.000 2.167 444 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 444 Q C 1.680 177.635 176.000 -0.076 0.000 0.970 444 Q CA 1.429 57.191 55.803 -0.068 0.000 0.855 444 Q CB -0.130 28.569 28.738 -0.066 0.000 0.911 444 Q HN 0.432 nan 8.270 nan 0.000 0.438 445 D N -0.919 119.403 120.400 -0.130 0.000 2.117 445 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 445 D C 1.498 177.664 176.300 -0.223 0.000 0.987 445 D CA 0.939 54.819 54.000 -0.200 0.000 0.829 445 D CB -0.218 40.404 40.800 -0.297 0.000 0.961 445 D HN 0.298 nan 8.370 nan 0.000 0.460 446 F N 0.995 120.837 119.950 -0.179 0.000 2.113 446 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 446 F C 2.519 178.227 175.800 -0.152 0.000 1.103 446 F CA 0.566 58.452 58.000 -0.189 0.000 1.248 446 F CB -0.150 38.682 39.000 -0.280 0.000 0.999 446 F HN -0.127 nan 8.300 nan 0.000 0.475 447 I N -0.295 120.310 120.570 0.059 0.000 2.264 447 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 447 I C 2.661 178.792 176.117 0.022 0.000 1.111 447 I CA 1.465 62.778 61.300 0.022 0.000 1.382 447 I CB -1.119 36.895 38.000 0.024 0.000 1.060 447 I HN 0.209 nan 8.210 nan 0.000 0.418 448 G N -0.244 108.551 108.800 -0.008 0.000 2.443 448 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 448 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 448 G C 1.539 176.422 174.900 -0.028 0.000 1.131 448 G CA 0.614 45.702 45.100 -0.020 0.000 0.775 448 G HN 0.382 nan 8.290 nan 0.000 0.547 449 S N -0.013 115.666 115.700 -0.036 0.000 2.631 449 S HA 0.350 4.820 4.470 -0.000 0.000 0.217 449 S C 1.818 176.413 174.600 -0.009 0.000 0.958 449 S CA 0.662 58.838 58.200 -0.040 0.000 0.920 449 S CB 0.054 63.213 63.200 -0.068 0.000 0.776 449 S HN 1.089 nan 8.310 nan 0.000 0.517 450 G N 1.442 110.246 108.800 0.007 0.000 2.179 450 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.260 450 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.260 450 G C 0.240 175.114 174.900 -0.044 0.000 0.977 450 G CA 0.277 45.385 45.100 0.014 0.000 0.641 450 G HN 0.517 nan 8.290 nan 0.000 0.533 451 S N -0.060 115.608 115.700 -0.054 0.000 2.593 451 S HA 0.552 5.021 4.470 -0.000 0.000 0.269 451 S C 0.740 175.088 174.600 -0.420 0.000 1.334 451 S CA 0.291 58.397 58.200 -0.158 0.000 1.015 451 S CB 1.615 64.839 63.200 0.039 0.000 0.912 451 S HN 1.374 nan 8.310 nan 0.000 0.541 452 G N 1.430 109.836 108.800 -0.656 0.000 2.437 452 G HA2 0.574 4.534 3.960 -0.000 0.000 0.315 452 G HA3 0.574 4.534 3.960 -0.000 0.000 0.315 452 G C -0.843 173.814 174.900 -0.405 0.000 1.210 452 G CA -0.577 43.921 45.100 -1.003 0.000 0.943 452 G HN 0.559 nan 8.290 nan 0.000 0.471 453 L N 2.610 123.634 121.223 -0.332 0.000 2.309 453 L HA 0.531 4.871 4.340 -0.000 0.000 0.282 453 L C -0.178 176.763 176.870 0.119 0.000 1.036 453 L CA -0.820 53.961 54.840 -0.098 0.000 0.806 453 L CB 2.122 44.084 42.059 -0.161 0.000 1.220 453 L HN 0.329 nan 8.230 nan 0.000 0.429 454 I N 4.408 125.088 120.570 0.183 0.000 2.359 454 I HA 0.332 4.502 4.170 -0.000 0.000 0.284 454 I C -0.350 175.898 176.117 0.218 0.000 1.018 454 I CA -0.235 61.200 61.300 0.225 0.000 1.173 454 I CB 1.372 39.482 38.000 0.183 0.000 1.326 454 I HN 0.425 nan 8.210 nan 0.000 0.462 455 I N 8.630 129.348 120.570 0.246 0.000 2.297 455 I HA 0.233 4.402 4.170 -0.000 0.000 0.291 455 I C -1.561 174.681 176.117 0.208 0.000 1.033 455 I CA -1.651 59.826 61.300 0.295 0.000 1.253 455 I CB 1.201 39.439 38.000 0.396 0.000 1.396 455 I HN 0.312 nan 8.210 nan 0.000 0.476 456 P HA -0.090 nan 4.420 nan 0.000 0.218 456 P C -0.295 177.051 177.300 0.077 0.000 1.148 456 P CA 1.413 64.565 63.100 0.085 0.000 0.822 456 P CB 0.198 31.923 31.700 0.043 0.000 0.784 457 N N -1.658 117.122 118.700 0.134 0.000 2.416 457 N HA 0.189 4.929 4.740 -0.000 0.000 0.276 457 N C -0.544 175.087 175.510 0.201 0.000 1.261 457 N CA -0.644 52.471 53.050 0.108 0.000 0.790 457 N CB 1.422 39.932 38.487 0.039 0.000 1.554 457 N HN -0.039 nan 8.380 nan 0.000 0.481 458 Q N 0.093 119.911 119.800 0.030 0.000 2.382 458 Q HA 0.290 4.630 4.340 -0.000 0.000 0.229 458 Q C -0.623 175.426 176.000 0.081 0.000 1.006 458 Q CA -0.260 55.432 55.803 -0.185 0.000 0.916 458 Q CB 0.993 29.557 28.738 -0.290 0.000 1.235 458 Q HN 0.529 nan 8.270 nan 0.000 0.512 459 W N -0.424 120.970 121.300 0.158 0.000 2.578 459 W HA 0.456 5.116 4.660 -0.000 0.000 0.346 459 W C -0.395 176.180 176.519 0.094 0.000 1.075 459 W CA -1.119 56.336 57.345 0.182 0.000 1.233 459 W CB 0.441 29.909 29.460 0.014 0.000 1.358 459 W HN 0.281 nan 8.180 nan 0.000 0.574 460 E N 1.822 122.220 120.200 0.331 0.000 2.467 460 E HA -0.131 4.218 4.350 -0.000 0.000 0.264 460 E C 1.035 177.773 176.600 0.231 0.000 1.020 460 E CA 0.502 57.024 56.400 0.203 0.000 0.945 460 E CB 0.473 30.271 29.700 0.163 0.000 0.942 460 E HN 0.540 nan 8.360 nan 0.000 0.449 461 D N 1.614 122.093 120.400 0.132 0.000 2.149 461 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 461 D C 0.816 177.199 176.300 0.139 0.000 0.990 461 D CA 1.137 55.211 54.000 0.124 0.000 0.839 461 D CB 0.074 40.916 40.800 0.070 0.000 0.948 461 D HN 0.528 nan 8.370 nan 0.000 0.460 462 D N 0.525 120.996 120.400 0.117 0.000 2.390 462 D HA -0.114 4.525 4.640 -0.000 0.000 0.235 462 D C 0.839 177.200 176.300 0.101 0.000 1.040 462 D CA 0.510 54.567 54.000 0.094 0.000 0.923 462 D CB -0.084 40.760 40.800 0.074 0.000 0.886 462 D HN 0.246 nan 8.370 nan 0.000 0.532 463 K N -0.128 120.363 120.400 0.152 0.000 2.520 463 K HA 0.075 4.394 4.320 -0.000 0.000 0.206 463 K C 0.640 177.291 176.600 0.084 0.000 1.122 463 K CA -0.322 56.026 56.287 0.102 0.000 1.045 463 K CB 1.050 33.607 32.500 0.095 0.000 0.932 463 K HN -0.119 nan 8.250 nan 0.000 0.571 464 D N 1.286 121.818 120.400 0.220 0.000 2.178 464 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 464 D C 1.789 178.147 176.300 0.098 0.000 0.980 464 D CA 1.630 55.801 54.000 0.285 0.000 0.842 464 D CB 0.172 41.135 40.800 0.272 0.000 0.948 464 D HN 0.210 nan 8.370 nan 0.000 0.472 465 S N -0.022 115.712 115.700 0.055 0.000 2.515 465 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 465 S C 1.989 176.573 174.600 -0.028 0.000 0.987 465 S CA 0.307 58.520 58.200 0.021 0.000 0.936 465 S CB -0.098 63.118 63.200 0.027 0.000 0.766 465 S HN 0.047 nan 8.310 nan 0.000 0.528 466 V N 0.914 120.781 119.914 -0.078 0.000 3.235 466 V HA 0.060 4.179 4.120 -0.000 0.000 0.259 466 V C 2.150 178.128 176.094 -0.194 0.000 1.133 466 V CA 0.640 62.867 62.300 -0.122 0.000 1.128 466 V CB -0.206 31.537 31.823 -0.134 0.000 0.757 466 V HN 0.415 nan 8.190 nan 0.000 0.469 467 V N -0.107 119.647 119.914 -0.267 0.000 2.504 467 V HA 0.632 4.751 4.120 -0.000 0.000 0.215 467 V C 0.955 176.961 176.094 -0.148 0.000 1.123 467 V CA 1.205 63.309 62.300 -0.327 0.000 1.143 467 V CB -0.369 31.083 31.823 -0.619 0.000 0.743 467 V HN 0.565 nan 8.190 nan 0.000 0.494 468 G N 0.105 108.867 108.800 -0.064 0.000 2.621 468 G HA2 0.021 3.981 3.960 -0.000 0.000 0.355 468 G HA3 0.021 3.981 3.960 -0.000 0.000 0.355 468 G C -0.204 174.712 174.900 0.026 0.000 1.509 468 G CA -0.290 44.803 45.100 -0.011 0.000 1.000 468 G HN 0.091 nan 8.290 nan 0.000 0.646 469 K N 0.657 121.083 120.400 0.045 0.000 2.097 469 K HA -0.077 4.242 4.320 -0.000 0.000 0.206 469 K C 1.405 178.006 176.600 0.002 0.000 1.049 469 K CA 0.836 57.150 56.287 0.044 0.000 0.933 469 K CB -0.145 32.386 32.500 0.052 0.000 0.717 469 K HN 0.613 nan 8.250 nan 0.000 0.442 470 Q N 2.253 122.060 119.800 0.012 0.000 2.520 470 Q HA -0.118 4.221 4.340 -0.000 0.000 0.320 470 Q C -0.498 175.492 176.000 -0.017 0.000 1.104 470 Q CA 0.487 56.299 55.803 0.014 0.000 1.062 470 Q CB -0.445 28.314 28.738 0.035 0.000 1.005 470 Q HN 0.193 nan 8.270 nan 0.000 0.390 471 N N 1.439 120.105 118.700 -0.056 0.000 2.725 471 N HA -0.167 4.572 4.740 -0.000 0.000 0.249 471 N C -1.535 173.693 175.510 -0.470 0.000 1.103 471 N CA 1.045 54.013 53.050 -0.137 0.000 0.707 471 N CB -1.408 37.221 38.487 0.238 0.000 1.043 471 N HN 0.263 nan 8.380 nan 0.000 0.553 472 V N 1.321 120.900 119.914 -0.559 0.000 2.334 472 V HA 0.414 4.534 4.120 -0.000 0.000 0.281 472 V C -0.127 175.665 176.094 -0.503 0.000 1.016 472 V CA -0.639 61.458 62.300 -0.338 0.000 0.832 472 V CB 0.582 32.391 31.823 -0.024 0.000 0.999 472 V HN 0.097 nan 8.190 nan 0.000 0.439 473 Y N 4.410 124.776 120.300 0.109 0.000 2.409 473 Y HA 0.677 5.227 4.550 -0.000 0.000 0.339 473 Y C -0.184 175.695 175.900 -0.035 0.000 1.033 473 Y CA -1.022 57.088 58.100 0.016 0.000 1.094 473 Y CB 1.887 40.313 38.460 -0.056 0.000 1.210 473 Y HN 0.510 nan 8.280 nan 0.000 0.456 474 L N 4.357 125.615 121.223 0.058 0.000 2.295 474 L HA 0.526 4.866 4.340 -0.000 0.000 0.285 474 L C -1.230 175.606 176.870 -0.057 0.000 1.035 474 L CA -0.743 54.084 54.840 -0.022 0.000 0.806 474 L CB 1.065 43.090 42.059 -0.057 0.000 1.214 474 L HN 0.653 nan 8.230 nan 0.000 0.426 475 L N 5.341 126.536 121.223 -0.048 0.000 2.272 475 L HA 0.554 4.893 4.340 -0.000 0.000 0.284 475 L C -0.819 176.025 176.870 -0.043 0.000 1.045 475 L CA 0.498 55.302 54.840 -0.059 0.000 0.842 475 L CB 0.400 42.443 42.059 -0.027 0.000 1.224 475 L HN 0.849 nan 8.230 nan 0.000 0.430 476 D N 0.509 120.881 120.400 -0.046 0.000 2.867 476 D HA 0.460 5.100 4.640 -0.000 0.000 0.308 476 D C 0.732 177.019 176.300 -0.022 0.000 1.202 476 D CA 0.429 54.409 54.000 -0.033 0.000 1.035 476 D CB 1.670 42.445 40.800 -0.041 0.000 1.427 476 D HN 0.420 nan 8.370 nan 0.000 0.570 477 T N -2.276 112.268 114.554 -0.016 0.000 3.034 477 T HA 0.179 4.529 4.350 -0.000 0.000 0.248 477 T C 0.929 175.625 174.700 -0.007 0.000 1.040 477 T CA 0.376 62.471 62.100 -0.007 0.000 1.107 477 T CB -0.456 68.409 68.868 -0.005 0.000 0.932 477 T HN 0.362 nan 8.240 nan 0.000 0.474 478 S N 2.479 118.172 115.700 -0.012 0.000 2.560 478 S HA 0.114 4.584 4.470 -0.000 0.000 0.276 478 S C 1.458 176.055 174.600 -0.005 0.000 1.350 478 S CA -0.030 58.165 58.200 -0.009 0.000 1.024 478 S CB 0.709 63.901 63.200 -0.014 0.000 0.864 478 S HN 0.580 nan 8.310 nan 0.000 0.536 479 S N 0.208 115.909 115.700 0.001 0.000 2.555 479 S HA -0.051 4.419 4.470 -0.000 0.000 0.230 479 S C 1.452 176.058 174.600 0.010 0.000 0.978 479 S CA 0.390 58.595 58.200 0.007 0.000 0.934 479 S CB -0.817 62.389 63.200 0.011 0.000 0.766 479 S HN 1.054 nan 8.310 nan 0.000 0.533 480 S N 0.571 116.274 115.700 0.005 0.000 2.556 480 S HA 0.596 5.066 4.470 -0.000 0.000 0.216 480 S C 0.652 175.254 174.600 0.004 0.000 0.970 480 S CA -0.159 58.046 58.200 0.009 0.000 0.912 480 S CB -0.215 62.987 63.200 0.004 0.000 0.790 480 S HN 0.682 nan 8.310 nan 0.000 0.504 481 A N 1.485 124.301 122.820 -0.008 0.000 2.340 481 A HA 0.385 4.705 4.320 -0.000 0.000 0.268 481 A C 0.822 178.392 177.584 -0.024 0.000 1.100 481 A CA -0.397 51.625 52.037 -0.025 0.000 0.803 481 A CB 0.286 19.262 19.000 -0.041 0.000 1.043 481 A HN 0.348 nan 8.150 nan 0.000 0.488 482 D N 0.769 121.145 120.400 -0.041 0.000 2.162 482 D HA 0.013 4.653 4.640 -0.000 0.000 0.203 482 D C 0.029 176.147 176.300 -0.303 0.000 0.967 482 D CA 1.475 55.438 54.000 -0.062 0.000 0.840 482 D CB 0.189 41.024 40.800 0.058 0.000 0.972 482 D HN 0.525 nan 8.370 nan 0.000 0.482 483 I N 1.599 121.954 120.570 -0.357 0.000 2.464 483 I HA 0.121 4.290 4.170 -0.000 0.000 0.277 483 I C -0.219 175.803 176.117 -0.158 0.000 1.040 483 I CA -0.416 60.653 61.300 -0.385 0.000 1.153 483 I CB 1.702 39.394 38.000 -0.513 0.000 1.274 483 I HN -0.248 nan 8.210 nan 0.000 0.469 484 Q N 5.955 125.705 119.800 -0.083 0.000 2.288 484 Q HA 0.508 4.847 4.340 -0.000 0.000 0.258 484 Q C -1.159 174.836 176.000 -0.008 0.000 0.957 484 Q CA -0.358 55.426 55.803 -0.033 0.000 0.919 484 Q CB 1.203 29.936 28.738 -0.009 0.000 1.185 484 Q HN 0.591 nan 8.270 nan 0.000 0.408 485 L N 3.817 125.042 121.223 0.005 0.000 2.322 485 L HA 0.234 4.574 4.340 -0.000 0.000 0.279 485 L C 1.024 177.918 176.870 0.040 0.000 1.036 485 L CA -0.435 54.429 54.840 0.039 0.000 0.807 485 L CB 1.429 43.513 42.059 0.041 0.000 1.226 485 L HN 0.810 nan 8.230 nan 0.000 0.433 486 E N 0.917 121.155 120.200 0.063 0.000 2.031 486 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 486 E C 0.126 176.735 176.600 0.015 0.000 0.994 486 E CA 1.145 57.568 56.400 0.038 0.000 0.800 486 E CB 0.146 29.872 29.700 0.044 0.000 0.752 486 E HN 0.594 nan 8.360 nan 0.000 0.447 487 S N -1.547 114.157 115.700 0.007 0.000 2.798 487 S HA 0.540 5.010 4.470 -0.000 0.000 0.312 487 S C 0.414 175.013 174.600 -0.003 0.000 1.122 487 S CA -0.339 57.856 58.200 -0.008 0.000 0.949 487 S CB 1.708 64.890 63.200 -0.030 0.000 1.235 487 S HN 0.246 nan 8.310 nan 0.000 0.552 488 A N 0.225 123.040 122.820 -0.009 0.000 2.169 488 A HA 0.198 4.518 4.320 -0.000 0.000 0.210 488 A C 0.266 177.845 177.584 -0.007 0.000 1.168 488 A CA 0.587 52.621 52.037 -0.006 0.000 0.813 488 A CB -0.382 18.613 19.000 -0.008 0.000 0.861 488 A HN 0.777 nan 8.150 nan 0.000 0.481 489 D N -0.164 120.227 120.400 -0.016 0.000 3.010 489 D HA 0.209 4.849 4.640 -0.000 0.000 0.347 489 D C -0.447 175.835 176.300 -0.031 0.000 1.340 489 D CA -0.438 53.551 54.000 -0.018 0.000 0.858 489 D CB 0.037 40.825 40.800 -0.020 0.000 1.111 489 D HN 0.094 nan 8.370 nan 0.000 0.482 490 E N 1.236 121.419 120.200 -0.027 0.000 2.390 490 E HA 0.198 4.547 4.350 -0.000 0.000 0.261 490 E C -2.073 174.516 176.600 -0.017 0.000 1.076 490 E CA -1.614 54.746 56.400 -0.067 0.000 0.905 490 E CB 0.213 29.912 29.700 -0.002 0.000 0.984 490 E HN 0.192 nan 8.360 nan 0.000 0.427 491 P HA 0.037 nan 4.420 nan 0.000 0.267 491 P C 0.905 178.244 177.300 0.066 0.000 1.200 491 P CA 0.138 63.248 63.100 0.015 0.000 0.772 491 P CB 0.497 32.204 31.700 0.013 0.000 0.855 492 I N 1.220 121.811 120.570 0.035 0.000 2.208 492 I HA -0.311 3.858 4.170 -0.000 0.000 0.245 492 I C 2.225 178.364 176.117 0.037 0.000 1.097 492 I CA 2.234 63.550 61.300 0.027 0.000 1.363 492 I CB -0.651 37.348 38.000 -0.002 0.000 1.051 492 I HN 0.439 nan 8.210 nan 0.000 0.413 493 S N -0.226 115.498 115.700 0.039 0.000 2.383 493 S HA -0.331 4.138 4.470 -0.000 0.000 0.229 493 S C 1.946 176.584 174.600 0.063 0.000 1.030 493 S CA 1.738 59.959 58.200 0.035 0.000 1.002 493 S CB -0.836 62.383 63.200 0.031 0.000 0.829 493 S HN 0.600 nan 8.310 nan 0.000 0.467 494 H N 1.620 120.690 119.070 -0.000 0.000 2.357 494 H HA 0.122 4.678 4.556 -0.000 0.000 0.301 494 H C 1.825 177.161 175.328 0.013 0.000 1.082 494 H CA 1.975 58.028 56.048 0.007 0.000 1.342 494 H CB -0.364 29.400 29.762 0.003 0.000 1.389 494 H HN 0.438 nan 8.280 nan 0.000 0.511 495 I N -0.552 120.075 120.570 0.095 0.000 2.202 495 I HA -0.239 3.930 4.170 -0.000 0.000 0.242 495 I C 2.304 178.418 176.117 -0.006 0.000 1.091 495 I CA 0.982 62.302 61.300 0.033 0.000 1.368 495 I CB -0.314 37.722 38.000 0.059 0.000 1.058 495 I HN 0.176 nan 8.210 nan 0.000 0.410 496 V N 0.763 120.678 119.914 0.001 0.000 2.324 496 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 496 V C 2.551 178.676 176.094 0.052 0.000 1.060 496 V CA 2.331 64.634 62.300 0.004 0.000 1.042 496 V CB -0.729 31.077 31.823 -0.029 0.000 0.650 496 V HN 0.538 nan 8.190 nan 0.000 0.450 497 Q N -0.303 119.505 119.800 0.014 0.000 2.084 497 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 497 Q C 2.375 178.389 176.000 0.024 0.000 0.978 497 Q CA 1.838 57.656 55.803 0.025 0.000 0.844 497 Q CB -0.101 28.619 28.738 -0.030 0.000 0.898 497 Q HN 0.573 nan 8.270 nan 0.000 0.426 498 K N -0.566 119.801 120.400 -0.055 0.000 2.063 498 K HA -0.137 4.182 4.320 -0.000 0.000 0.208 498 K C 1.984 178.630 176.600 0.077 0.000 1.048 498 K CA 1.437 57.706 56.287 -0.031 0.000 0.928 498 K CB 0.030 32.467 32.500 -0.105 0.000 0.713 498 K HN 0.100 nan 8.250 nan 0.000 0.442 499 V N 0.416 120.390 119.914 0.100 0.000 2.358 499 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 499 V C 2.178 178.471 176.094 0.333 0.000 1.047 499 V CA 1.354 63.764 62.300 0.185 0.000 1.035 499 V CB -0.120 31.825 31.823 0.202 0.000 0.658 499 V HN 0.103 nan 8.190 nan 0.000 0.452 500 V N -0.059 120.084 119.914 0.382 0.000 2.261 500 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 500 V C 2.295 178.602 176.094 0.354 0.000 1.047 500 V CA 2.116 64.734 62.300 0.529 0.000 1.015 500 V CB -0.531 31.583 31.823 0.485 0.000 0.642 500 V HN 0.444 nan 8.190 nan 0.000 0.446 501 L N -1.143 120.208 121.223 0.214 0.000 2.191 501 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 501 L C 2.334 179.267 176.870 0.105 0.000 1.103 501 L CA 1.587 56.505 54.840 0.130 0.000 0.769 501 L CB -0.600 41.502 42.059 0.071 0.000 0.908 501 L HN 0.408 nan 8.230 nan 0.000 0.438 502 F N 0.797 120.739 119.950 -0.013 0.000 2.128 502 F HA -0.149 4.378 4.527 -0.000 0.000 0.295 502 F C 2.154 177.857 175.800 -0.161 0.000 1.100 502 F CA 1.362 59.305 58.000 -0.096 0.000 1.260 502 F CB -0.068 38.851 39.000 -0.134 0.000 1.009 502 F HN -0.145 nan 8.300 nan 0.000 0.476 503 L N 0.132 121.294 121.223 -0.102 0.000 2.141 503 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 503 L C 2.541 179.248 176.870 -0.272 0.000 1.094 503 L CA 1.378 55.976 54.840 -0.403 0.000 0.763 503 L CB -0.762 40.814 42.059 -0.804 0.000 0.908 503 L HN 0.242 nan 8.230 nan 0.000 0.437 504 E N 0.492 120.669 120.200 -0.039 0.000 2.107 504 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 504 E C 1.406 177.974 176.600 -0.053 0.000 0.982 504 E CA 1.337 57.786 56.400 0.081 0.000 0.809 504 E CB 0.162 30.018 29.700 0.259 0.000 0.756 504 E HN 0.423 nan 8.360 nan 0.000 0.459 505 D N -0.022 120.298 120.400 -0.134 0.000 2.312 505 D HA -0.060 4.580 4.640 -0.000 0.000 0.211 505 D C 1.131 177.271 176.300 -0.267 0.000 0.964 505 D CA 0.623 54.517 54.000 -0.177 0.000 0.877 505 D CB 0.024 40.712 40.800 -0.187 0.000 0.924 505 D HN 0.013 nan 8.370 nan 0.000 0.515 506 N N -0.847 117.638 118.700 -0.359 0.000 2.235 506 N HA 0.147 4.887 4.740 -0.000 0.000 0.209 506 N C 1.087 176.343 175.510 -0.423 0.000 1.122 506 N CA 0.682 53.506 53.050 -0.378 0.000 0.845 506 N CB 1.236 39.444 38.487 -0.464 0.000 1.004 506 N HN 0.315 nan 8.380 nan 0.000 0.499 507 G N 0.849 109.452 108.800 -0.329 0.000 2.253 507 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.251 507 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.251 507 G C 0.835 175.504 174.900 -0.384 0.000 0.998 507 G CA 0.158 45.042 45.100 -0.360 0.000 0.621 507 G HN 0.342 nan 8.290 nan 0.000 0.524 508 F N 0.299 120.045 119.950 -0.340 0.000 2.250 508 F HA 0.287 4.813 4.527 -0.000 0.000 0.301 508 F C 1.370 176.997 175.800 -0.287 0.000 1.077 508 F CA 1.010 58.774 58.000 -0.393 0.000 1.348 508 F CB -0.168 38.380 39.000 -0.755 0.000 1.040 508 F HN 0.201 nan 8.300 nan 0.000 0.509 509 F N -0.674 119.241 119.950 -0.059 0.000 2.520 509 F HA 0.586 5.113 4.527 -0.000 0.000 0.322 509 F C -0.458 175.064 175.800 -0.462 0.000 1.103 509 F CA -1.360 56.455 58.000 -0.308 0.000 0.926 509 F CB 1.742 40.536 39.000 -0.345 0.000 1.154 509 F HN -0.580 nan 8.300 nan 0.000 0.453 510 V N 3.760 123.383 119.914 -0.485 0.000 2.709 510 V HA 0.496 4.616 4.120 -0.000 0.000 0.308 510 V C -0.755 174.909 176.094 -0.716 0.000 1.062 510 V CA -0.913 61.140 62.300 -0.412 0.000 0.901 510 V CB 2.011 33.725 31.823 -0.182 0.000 1.003 510 V HN 0.567 nan 8.190 nan 0.000 0.425 511 F N 0.000 119.932 119.950 -0.030 0.000 2.286 511 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 511 F CA 0.000 57.979 58.000 -0.035 0.000 1.383 511 F CB 0.000 38.959 39.000 -0.068 0.000 1.145 511 F HN 0.000 nan 8.300 nan 0.000 0.574