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 2j58_1_H DATA FIRST_RESID 22 DATA SEQUENCE TIIPGQGLNS LRKNVVELPD SDYDLDKLVN VYPXTPGLID QLRPEPVIAR DATA SEQUENCE SNPQLDNLLK SYEYRIGVGD VLXVTVWDHP ELTTPAGQYR SASDTGNWVN DATA SEQUENCE SDGTIFYPYI GKVQVAGKTV SQVRQDITSR LTTYIESPQV DVSIAAFRSQ DATA SEQUENCE KVYVTGEVAN SGKQAITNIP LTVXDAINAA GGLAADADWR NVVLTHNGKD DATA SEQUENCE TKISLYALXQ KGDLTQNHLL YHGDILFIPS NDDLKVFVXG EVGKQSTLKX DATA SEQUENCE DRSGXTLAEA LGNAEGISQE XSDATGIFVV RQLKGDRTGK IADIYQLNAQ DATA SEQUENCE DASAXVLGTE FQLQPYDIVY VTTAPLVRWN RVISQLVPTI SGVHDXTETV DATA SEQUENCE RYIKR 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 22 T HA 0.000 nan 4.350 nan 0.000 0.228 22 T C 0.000 174.699 174.700 -0.001 0.000 1.109 22 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 22 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 23 I N 1.354 121.923 120.570 -0.001 0.000 2.947 23 I HA 0.318 4.488 4.170 -0.000 0.000 0.263 23 I C 0.366 176.482 176.117 -0.002 0.000 1.130 23 I CA 0.284 61.583 61.300 -0.002 0.000 1.448 23 I CB 0.283 38.282 38.000 -0.002 0.000 1.222 23 I HN 0.498 nan 8.210 nan 0.000 0.453 24 I N 3.799 124.368 120.570 -0.003 0.000 2.325 24 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 24 I C -1.957 174.158 176.117 -0.003 0.000 1.019 24 I CA -1.803 59.495 61.300 -0.003 0.000 1.302 24 I CB 0.168 38.165 38.000 -0.004 0.000 1.401 24 I HN -0.013 nan 8.210 nan 0.000 0.485 25 P HA 0.302 nan 4.420 nan 0.000 0.272 25 P C 0.403 177.702 177.300 -0.002 0.000 1.240 25 P CA 0.304 63.403 63.100 -0.002 0.000 0.791 25 P CB 0.675 32.374 31.700 -0.001 0.000 0.978 26 G N 1.020 109.819 108.800 -0.001 0.000 2.593 26 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.237 26 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.237 26 G C -1.045 173.854 174.900 -0.001 0.000 1.312 26 G CA -0.407 44.692 45.100 -0.001 0.000 0.896 26 G HN 0.707 nan 8.290 nan 0.000 0.574 27 Q N -0.812 118.987 119.800 -0.001 0.000 2.416 27 Q HA 0.676 5.016 4.340 -0.000 0.000 0.279 27 Q C 0.257 176.256 176.000 -0.002 0.000 1.101 27 Q CA -0.450 55.352 55.803 -0.002 0.000 0.830 27 Q CB 2.212 30.950 28.738 -0.001 0.000 1.402 27 Q HN 1.333 nan 8.270 nan 0.000 0.445 28 G N 0.104 108.902 108.800 -0.003 0.000 2.727 28 G HA2 0.736 4.696 3.960 -0.000 0.000 0.289 28 G HA3 0.736 4.696 3.960 -0.000 0.000 0.289 28 G C -2.008 172.891 174.900 -0.003 0.000 1.418 28 G CA -0.564 44.534 45.100 -0.003 0.000 0.818 28 G HN 0.442 nan 8.290 nan 0.000 0.486 29 L N 1.633 122.854 121.223 -0.004 0.000 2.676 29 L HA 0.413 4.753 4.340 -0.000 0.000 0.262 29 L C -1.367 175.501 176.870 -0.004 0.000 0.965 29 L CA -0.922 53.916 54.840 -0.003 0.000 0.920 29 L CB 1.617 43.675 42.059 -0.003 0.000 1.260 29 L HN 0.814 nan 8.230 nan 0.000 0.422 30 N N 1.528 120.226 118.700 -0.004 0.000 2.312 30 N HA 0.316 5.056 4.740 -0.000 0.000 0.296 30 N C -0.155 175.353 175.510 -0.003 0.000 1.193 30 N CA -0.360 52.688 53.050 -0.004 0.000 0.773 30 N CB 1.989 40.473 38.487 -0.004 0.000 1.435 30 N HN 0.407 nan 8.380 nan 0.000 0.484 31 S N 0.113 115.811 115.700 -0.003 0.000 2.597 31 S HA 0.045 4.515 4.470 -0.000 0.000 0.224 31 S C 1.544 176.143 174.600 -0.002 0.000 0.955 31 S CA -0.439 57.760 58.200 -0.002 0.000 0.933 31 S CB -0.308 62.892 63.200 -0.001 0.000 0.788 31 S HN 0.436 nan 8.310 nan 0.000 0.488 32 L N 2.416 123.637 121.223 -0.003 0.000 1.990 32 L HA -0.004 4.336 4.340 -0.000 0.000 0.213 32 L C 2.284 179.152 176.870 -0.003 0.000 1.072 32 L CA 1.869 56.707 54.840 -0.003 0.000 0.755 32 L CB -0.399 41.658 42.059 -0.003 0.000 0.889 32 L HN 0.305 nan 8.230 nan 0.000 0.432 33 R N -1.218 119.281 120.500 -0.002 0.000 2.359 33 R HA 0.131 4.470 4.340 -0.000 0.000 0.231 33 R C 0.092 176.391 176.300 -0.002 0.000 0.913 33 R CA -0.139 55.960 56.100 -0.002 0.000 1.075 33 R CB 0.159 30.458 30.300 -0.002 0.000 1.087 33 R HN 0.261 nan 8.270 nan 0.000 0.515 34 K N 1.452 121.851 120.400 -0.002 0.000 2.118 34 K HA 0.075 4.395 4.320 -0.000 0.000 0.264 34 K C -0.115 176.484 176.600 -0.001 0.000 1.000 34 K CA -0.637 55.649 56.287 -0.002 0.000 0.929 34 K CB 0.695 33.194 32.500 -0.002 0.000 1.021 34 K HN -0.168 nan 8.250 nan 0.000 0.463 35 N N 1.731 120.430 118.700 -0.002 0.000 2.406 35 N HA 0.004 4.743 4.740 -0.000 0.000 0.265 35 N C -1.126 174.383 175.510 -0.001 0.000 1.203 35 N CA -0.121 52.928 53.050 -0.001 0.000 0.945 35 N CB 0.379 38.865 38.487 -0.002 0.000 1.165 35 N HN 0.188 nan 8.380 nan 0.000 0.485 36 V N 4.702 124.616 119.914 0.000 0.000 2.389 36 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 36 V C 0.228 176.324 176.094 0.002 0.000 1.049 36 V CA -0.811 61.490 62.300 0.002 0.000 0.932 36 V CB 0.936 32.760 31.823 0.003 0.000 1.011 36 V HN 0.382 nan 8.190 nan 0.000 0.475 37 V N 4.460 124.375 119.914 0.002 0.000 2.508 37 V HA 0.188 4.308 4.120 -0.000 0.000 0.281 37 V C 0.410 176.506 176.094 0.004 0.000 1.041 37 V CA -0.346 61.955 62.300 0.001 0.000 1.016 37 V CB 1.320 33.142 31.823 -0.001 0.000 0.984 37 V HN 0.921 nan 8.190 nan 0.000 0.478 38 E N 4.633 124.836 120.200 0.004 0.000 2.289 38 E HA 0.465 4.815 4.350 -0.000 0.000 0.278 38 E C -0.863 175.741 176.600 0.006 0.000 1.032 38 E CA 0.016 56.420 56.400 0.008 0.000 0.854 38 E CB 0.683 30.387 29.700 0.006 0.000 1.046 38 E HN 0.552 nan 8.360 nan 0.000 0.409 39 L N 5.952 127.181 121.223 0.011 0.000 2.322 39 L HA 0.416 4.756 4.340 -0.000 0.000 0.269 39 L C -1.571 175.305 176.870 0.011 0.000 1.012 39 L CA -2.295 52.548 54.840 0.006 0.000 0.815 39 L CB 1.442 43.502 42.059 0.001 0.000 1.295 39 L HN 0.515 nan 8.230 nan 0.000 0.438 40 P HA -0.181 nan 4.420 nan 0.000 0.216 40 P C 0.220 177.533 177.300 0.021 0.000 1.150 40 P CA 1.262 64.367 63.100 0.009 0.000 0.843 40 P CB 0.062 31.763 31.700 0.002 0.000 0.787 41 D N -2.146 118.269 120.400 0.024 0.000 2.615 41 D HA 0.111 4.751 4.640 -0.000 0.000 0.236 41 D C 0.925 177.291 176.300 0.110 0.000 1.233 41 D CA -0.164 53.872 54.000 0.059 0.000 0.829 41 D CB -0.525 40.296 40.800 0.035 0.000 1.024 41 D HN -0.082 nan 8.370 nan 0.000 0.490 42 S N 1.060 116.808 115.700 0.080 0.000 2.402 42 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 42 S C 1.076 175.751 174.600 0.124 0.000 1.030 42 S CA 1.675 59.934 58.200 0.099 0.000 1.003 42 S CB -0.184 63.047 63.200 0.051 0.000 0.813 42 S HN 0.613 nan 8.310 nan 0.000 0.477 43 D N 0.366 120.819 120.400 0.089 0.000 2.319 43 D HA -0.023 4.617 4.640 -0.000 0.000 0.230 43 D C 0.408 176.730 176.300 0.035 0.000 1.094 43 D CA -0.527 53.496 54.000 0.040 0.000 0.856 43 D CB -1.208 39.604 40.800 0.020 0.000 0.915 43 D HN 0.633 nan 8.370 nan 0.000 0.517 44 Y N 0.043 120.334 120.300 -0.016 0.000 2.717 44 Y HA 0.212 4.761 4.550 -0.000 0.000 0.330 44 Y C -0.042 175.846 175.900 -0.021 0.000 1.217 44 Y CA -0.859 57.230 58.100 -0.018 0.000 1.506 44 Y CB 0.532 38.981 38.460 -0.018 0.000 1.268 44 Y HN -0.223 nan 8.280 nan 0.000 0.561 45 D N 5.967 126.296 120.400 -0.119 0.000 2.456 45 D HA 0.034 4.674 4.640 -0.000 0.000 0.219 45 D C 0.580 176.810 176.300 -0.118 0.000 1.126 45 D CA -0.370 53.518 54.000 -0.187 0.000 0.890 45 D CB 0.931 41.682 40.800 -0.081 0.000 1.025 45 D HN 0.822 nan 8.370 nan 0.000 0.511 46 L N 4.106 125.179 121.223 -0.250 0.000 2.043 46 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 46 L C 1.314 178.175 176.870 -0.015 0.000 1.075 46 L CA 1.925 56.752 54.840 -0.023 0.000 0.752 46 L CB -0.179 41.845 42.059 -0.058 0.000 0.891 46 L HN 0.304 nan 8.230 nan 0.000 0.432 47 D N -0.479 119.884 120.400 -0.062 0.000 2.218 47 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 47 D C 1.724 178.005 176.300 -0.031 0.000 0.976 47 D CA 0.874 54.845 54.000 -0.050 0.000 0.853 47 D CB -0.032 40.732 40.800 -0.059 0.000 0.939 47 D HN 0.288 nan 8.370 nan 0.000 0.481 48 K N 0.017 120.406 120.400 -0.019 0.000 2.404 48 K HA 0.200 4.519 4.320 -0.000 0.000 0.194 48 K C 1.390 177.995 176.600 0.009 0.000 1.023 48 K CA -0.020 56.262 56.287 -0.009 0.000 1.094 48 K CB 0.329 32.825 32.500 -0.006 0.000 0.841 48 K HN 0.238 nan 8.250 nan 0.000 0.523 49 L N 0.535 121.773 121.223 0.025 0.000 2.808 49 L HA 0.178 4.518 4.340 -0.000 0.000 0.246 49 L C 0.166 177.051 176.870 0.025 0.000 1.153 49 L CA -0.326 54.537 54.840 0.039 0.000 0.956 49 L CB 0.643 42.751 42.059 0.082 0.000 1.270 49 L HN -0.208 nan 8.230 nan 0.000 0.528 50 V N -3.839 116.077 119.914 0.004 0.000 2.823 50 V HA 0.585 4.704 4.120 -0.000 0.000 0.312 50 V C -0.754 175.314 176.094 -0.043 0.000 1.072 50 V CA -0.804 61.492 62.300 -0.007 0.000 0.937 50 V CB 2.118 33.934 31.823 -0.013 0.000 1.013 50 V HN 0.038 nan 8.190 nan 0.000 0.430 51 N N 1.911 120.579 118.700 -0.054 0.000 2.400 51 N HA 0.615 5.355 4.740 -0.000 0.000 0.288 51 N C -0.915 174.451 175.510 -0.240 0.000 1.024 51 N CA -0.299 52.643 53.050 -0.181 0.000 0.894 51 N CB 2.211 40.581 38.487 -0.196 0.000 1.173 51 N HN 0.665 nan 8.380 nan 0.000 0.487 52 V N 3.038 122.763 119.914 -0.315 0.000 2.398 52 V HA 0.368 4.488 4.120 -0.000 0.000 0.286 52 V C -0.889 174.967 176.094 -0.396 0.000 1.026 52 V CA -0.564 61.609 62.300 -0.212 0.000 0.868 52 V CB 0.251 32.038 31.823 -0.060 0.000 0.982 52 V HN 0.490 nan 8.190 nan 0.000 0.443 53 Y N 6.065 126.316 120.300 -0.081 0.000 2.341 53 Y HA 0.508 5.057 4.550 -0.000 0.000 0.338 53 Y C -1.890 174.042 175.900 0.053 0.000 0.965 53 Y CA -2.511 55.581 58.100 -0.013 0.000 1.108 53 Y CB 1.848 40.302 38.460 -0.011 0.000 1.180 53 Y HN 0.471 nan 8.280 nan 0.000 0.458 57 P HA 0.046 nan 4.420 nan 0.000 0.215 57 P C 1.832 179.159 177.300 0.045 0.000 1.153 57 P CA 1.789 64.913 63.100 0.041 0.000 0.853 57 P CB -0.443 31.275 31.700 0.029 0.000 0.788 58 G N -0.106 108.723 108.800 0.048 0.000 2.422 58 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 58 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 58 G C 1.478 176.414 174.900 0.059 0.000 1.146 58 G CA 0.572 45.701 45.100 0.048 0.000 0.769 58 G HN 0.241 nan 8.290 nan 0.000 0.547 59 L N 0.470 121.744 121.223 0.085 0.000 2.056 59 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 59 L C 2.516 179.435 176.870 0.083 0.000 1.078 59 L CA 1.209 56.113 54.840 0.107 0.000 0.749 59 L CB -0.244 41.918 42.059 0.172 0.000 0.901 59 L HN 0.056 nan 8.230 nan 0.000 0.433 60 I N 0.050 120.673 120.570 0.087 0.000 2.163 60 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 60 I C 2.217 178.339 176.117 0.008 0.000 1.085 60 I CA 1.309 62.645 61.300 0.060 0.000 1.347 60 I CB -1.497 36.544 38.000 0.068 0.000 1.044 60 I HN 0.326 nan 8.210 nan 0.000 0.408 61 D N 0.201 120.611 120.400 0.016 0.000 2.104 61 D HA -0.240 4.400 4.640 -0.000 0.000 0.194 61 D C 2.140 178.435 176.300 -0.008 0.000 0.994 61 D CA 1.181 55.183 54.000 0.003 0.000 0.830 61 D CB -0.345 40.462 40.800 0.012 0.000 0.959 61 D HN 0.455 nan 8.370 nan 0.000 0.452 62 Q N 0.122 119.923 119.800 0.001 0.000 2.181 62 Q HA -0.126 4.213 4.340 -0.000 0.000 0.205 62 Q C 2.071 178.050 176.000 -0.035 0.000 0.980 62 Q CA 0.902 56.701 55.803 -0.006 0.000 0.862 62 Q CB -0.035 28.711 28.738 0.013 0.000 0.905 62 Q HN 0.317 nan 8.270 nan 0.000 0.429 63 L N 0.141 121.328 121.223 -0.061 0.000 2.375 63 L HA 0.118 4.458 4.340 -0.000 0.000 0.215 63 L C 0.925 177.712 176.870 -0.139 0.000 1.108 63 L CA -0.107 54.657 54.840 -0.127 0.000 0.830 63 L CB -0.062 41.863 42.059 -0.225 0.000 0.959 63 L HN 0.048 nan 8.230 nan 0.000 0.457 64 R N 1.697 122.136 120.500 -0.102 0.000 2.481 64 R HA -0.031 4.309 4.340 -0.000 0.000 0.291 64 R C -1.989 174.264 176.300 -0.079 0.000 0.934 64 R CA -1.025 55.022 56.100 -0.089 0.000 1.116 64 R CB -0.345 29.923 30.300 -0.053 0.000 0.895 64 R HN -0.029 nan 8.270 nan 0.000 0.410 65 P HA -0.076 nan 4.420 nan 0.000 0.266 65 P C -0.553 176.723 177.300 -0.039 0.000 1.195 65 P CA 0.072 63.132 63.100 -0.066 0.000 0.768 65 P CB 0.436 32.094 31.700 -0.070 0.000 0.838 66 E N 4.595 124.777 120.200 -0.030 0.000 2.398 66 E HA 0.190 4.540 4.350 -0.000 0.000 0.263 66 E C -1.906 174.689 176.600 -0.008 0.000 1.046 66 E CA -1.677 54.712 56.400 -0.018 0.000 0.908 66 E CB -0.436 29.254 29.700 -0.016 0.000 0.963 66 E HN 0.307 nan 8.360 nan 0.000 0.431 67 P HA 0.019 nan 4.420 nan 0.000 0.271 67 P C -0.665 176.633 177.300 -0.003 0.000 1.216 67 P CA -0.353 62.748 63.100 0.002 0.000 0.771 67 P CB 0.845 32.543 31.700 -0.003 0.000 0.864 68 V N 5.087 125.004 119.914 0.005 0.000 2.408 68 V HA 0.204 4.323 4.120 -0.000 0.000 0.267 68 V C 0.910 176.969 176.094 -0.060 0.000 1.047 68 V CA -0.359 61.923 62.300 -0.030 0.000 0.937 68 V CB 0.158 31.957 31.823 -0.041 0.000 0.999 68 V HN 0.454 nan 8.190 nan 0.000 0.472 69 I N 2.263 122.798 120.570 -0.058 0.000 2.822 69 I HA 0.930 5.100 4.170 -0.000 0.000 0.312 69 I C 0.465 176.538 176.117 -0.074 0.000 1.011 69 I CA -0.965 60.299 61.300 -0.059 0.000 1.105 69 I CB 1.677 39.652 38.000 -0.041 0.000 1.291 69 I HN 0.533 nan 8.210 nan 0.000 0.474 70 A N 3.755 126.534 122.820 -0.068 0.000 2.477 70 A HA 0.530 4.849 4.320 -0.000 0.000 0.246 70 A C 0.024 177.573 177.584 -0.059 0.000 1.078 70 A CA -0.182 51.813 52.037 -0.069 0.000 0.770 70 A CB 0.093 19.058 19.000 -0.059 0.000 1.011 70 A HN 0.823 nan 8.150 nan 0.000 0.494 71 R N 1.745 122.207 120.500 -0.063 0.000 2.604 71 R HA 0.436 4.776 4.340 -0.000 0.000 0.281 71 R C -0.566 175.700 176.300 -0.057 0.000 1.020 71 R CA -0.526 55.541 56.100 -0.055 0.000 0.899 71 R CB 2.261 32.527 30.300 -0.057 0.000 1.205 71 R HN 0.738 nan 8.270 nan 0.000 0.450 72 S N 0.918 116.588 115.700 -0.049 0.000 2.624 72 S HA 0.196 4.666 4.470 -0.000 0.000 0.263 72 S C -0.065 174.501 174.600 -0.056 0.000 1.287 72 S CA -0.335 57.835 58.200 -0.050 0.000 0.990 72 S CB 0.472 63.648 63.200 -0.040 0.000 0.950 72 S HN 0.489 nan 8.310 nan 0.000 0.561 73 N N 1.271 119.935 118.700 -0.060 0.000 2.762 73 N HA 0.320 5.060 4.740 -0.000 0.000 0.252 73 N C -2.134 173.344 175.510 -0.052 0.000 1.269 73 N CA -1.977 51.032 53.050 -0.068 0.000 0.799 73 N CB 1.242 39.670 38.487 -0.099 0.000 1.173 73 N HN 0.192 nan 8.380 nan 0.000 0.516 74 P HA -0.153 nan 4.420 nan 0.000 0.217 74 P C 1.203 178.491 177.300 -0.020 0.000 1.150 74 P CA 1.053 64.137 63.100 -0.026 0.000 0.832 74 P CB 0.766 32.454 31.700 -0.020 0.000 0.787 75 Q N -0.648 119.139 119.800 -0.022 0.000 2.061 75 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 75 Q C 2.213 178.207 176.000 -0.010 0.000 0.984 75 Q CA 1.333 57.130 55.803 -0.010 0.000 0.846 75 Q CB -0.818 27.914 28.738 -0.010 0.000 0.902 75 Q HN 0.059 nan 8.270 nan 0.000 0.421 76 L N 0.892 122.094 121.223 -0.035 0.000 2.042 76 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 76 L C 1.375 178.228 176.870 -0.027 0.000 1.076 76 L CA 2.031 56.847 54.840 -0.040 0.000 0.749 76 L CB -0.582 41.427 42.059 -0.083 0.000 0.893 76 L HN 0.220 nan 8.230 nan 0.000 0.432 77 D N -0.469 119.913 120.400 -0.030 0.000 2.149 77 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 77 D C 1.913 178.212 176.300 -0.002 0.000 0.990 77 D CA 1.063 55.050 54.000 -0.021 0.000 0.839 77 D CB -0.331 40.455 40.800 -0.024 0.000 0.948 77 D HN 0.393 nan 8.370 nan 0.000 0.460 78 N N 0.435 119.138 118.700 0.005 0.000 2.043 78 N HA -0.126 4.614 4.740 -0.000 0.000 0.193 78 N C 1.809 177.343 175.510 0.039 0.000 1.037 78 N CA 0.479 53.540 53.050 0.020 0.000 0.851 78 N CB -0.495 38.004 38.487 0.019 0.000 1.027 78 N HN 0.113 nan 8.380 nan 0.000 0.422 79 L N 1.349 122.600 121.223 0.046 0.000 2.042 79 L HA -0.069 4.270 4.340 -0.000 0.000 0.210 79 L C 2.272 179.202 176.870 0.101 0.000 1.076 79 L CA 1.132 56.021 54.840 0.082 0.000 0.749 79 L CB -1.137 40.974 42.059 0.086 0.000 0.893 79 L HN 0.196 nan 8.230 nan 0.000 0.432 80 L N -1.015 120.236 121.223 0.046 0.000 2.131 80 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 80 L C 2.506 179.420 176.870 0.073 0.000 1.092 80 L CA 1.145 56.002 54.840 0.028 0.000 0.759 80 L CB -0.501 41.534 42.059 -0.040 0.000 0.903 80 L HN 0.284 nan 8.230 nan 0.000 0.435 81 K N 0.366 120.800 120.400 0.057 0.000 2.148 81 K HA -0.115 4.204 4.320 -0.000 0.000 0.204 81 K C 1.645 178.290 176.600 0.074 0.000 1.050 81 K CA 1.473 57.792 56.287 0.053 0.000 0.942 81 K CB 0.122 32.642 32.500 0.032 0.000 0.724 81 K HN 0.312 nan 8.250 nan 0.000 0.446 82 S N -0.627 115.126 115.700 0.088 0.000 2.588 82 S HA 0.083 4.553 4.470 -0.000 0.000 0.245 82 S C -0.214 174.445 174.600 0.097 0.000 1.021 82 S CA -0.926 57.320 58.200 0.077 0.000 1.006 82 S CB -0.369 62.862 63.200 0.052 0.000 0.830 82 S HN 0.272 nan 8.310 nan 0.000 0.468 83 Y N 2.802 123.115 120.300 0.021 0.000 2.610 83 Y HA 0.318 4.868 4.550 -0.000 0.000 0.332 83 Y C 0.273 176.200 175.900 0.044 0.000 1.201 83 Y CA 0.458 58.573 58.100 0.025 0.000 1.465 83 Y CB 0.346 38.807 38.460 0.001 0.000 1.283 83 Y HN 0.381 nan 8.280 nan 0.000 0.563 84 E N 4.592 124.348 120.200 -0.740 0.000 2.331 84 E HA 0.115 4.465 4.350 -0.000 0.000 0.275 84 E C -2.037 174.222 176.600 -0.567 0.000 0.895 84 E CA -1.074 55.064 56.400 -0.435 0.000 0.753 84 E CB 1.896 31.486 29.700 -0.184 0.000 1.216 84 E HN 0.596 nan 8.360 nan 0.000 0.434 85 Y N 2.357 122.485 120.300 -0.287 0.000 2.316 85 Y HA 0.309 4.859 4.550 -0.000 0.000 0.331 85 Y C -0.439 175.443 175.900 -0.029 0.000 1.083 85 Y CA -0.199 57.843 58.100 -0.098 0.000 1.206 85 Y CB 0.699 39.228 38.460 0.115 0.000 1.195 85 Y HN 0.319 nan 8.280 nan 0.000 0.497 86 R N 7.196 127.300 120.500 -0.661 0.000 2.387 86 R HA 0.403 4.743 4.340 -0.000 0.000 0.314 86 R C -0.768 175.128 176.300 -0.673 0.000 0.958 86 R CA -0.942 54.880 56.100 -0.464 0.000 0.846 86 R CB 1.514 31.650 30.300 -0.273 0.000 1.147 86 R HN 0.745 nan 8.270 nan 0.000 0.447 87 I N 1.626 122.040 120.570 -0.260 0.000 2.815 87 I HA -0.007 4.163 4.170 -0.000 0.000 0.291 87 I C 1.154 177.204 176.117 -0.110 0.000 1.209 87 I CA 0.787 62.048 61.300 -0.065 0.000 1.431 87 I CB 0.425 38.450 38.000 0.042 0.000 1.351 87 I HN 0.677 nan 8.210 nan 0.000 0.585 88 G N 4.273 113.059 108.800 -0.025 0.000 2.658 88 G HA2 0.543 4.503 3.960 -0.000 0.000 0.292 88 G HA3 0.543 4.503 3.960 -0.000 0.000 0.292 88 G C -0.964 173.930 174.900 -0.011 0.000 1.320 88 G CA -0.695 44.381 45.100 -0.040 0.000 0.933 88 G HN 0.361 nan 8.290 nan 0.000 0.476 89 V N 0.952 120.851 119.914 -0.025 0.000 2.557 89 V HA 0.368 4.488 4.120 -0.000 0.000 0.301 89 V C 1.654 177.719 176.094 -0.048 0.000 1.026 89 V CA 2.180 64.467 62.300 -0.022 0.000 1.137 89 V CB 0.350 32.162 31.823 -0.017 0.000 0.917 89 V HN 2.003 nan 8.190 nan 0.000 0.484 90 G N 3.808 112.557 108.800 -0.085 0.000 2.254 90 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.225 90 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.225 90 G C -0.002 174.759 174.900 -0.232 0.000 1.003 90 G CA -0.023 44.957 45.100 -0.200 0.000 0.622 90 G HN 0.657 nan 8.290 nan 0.000 0.507 91 D N 0.405 120.740 120.400 -0.108 0.000 2.400 91 D HA 0.428 5.068 4.640 -0.000 0.000 0.238 91 D C 0.567 176.782 176.300 -0.142 0.000 1.157 91 D CA 0.353 54.290 54.000 -0.106 0.000 0.889 91 D CB 1.542 42.331 40.800 -0.018 0.000 1.199 91 D HN 0.271 nan 8.370 nan 0.000 0.436 92 V N 2.684 122.506 119.914 -0.153 0.000 2.417 92 V HA 0.239 4.358 4.120 -0.000 0.000 0.291 92 V C 0.279 176.338 176.094 -0.059 0.000 1.024 92 V CA -0.805 61.466 62.300 -0.048 0.000 0.861 92 V CB 1.361 33.182 31.823 -0.004 0.000 0.985 92 V HN 0.288 nan 8.190 nan 0.000 0.436 96 T N 3.984 118.479 114.554 -0.098 0.000 2.771 96 T HA 0.660 5.009 4.350 -0.000 0.000 0.281 96 T C -0.305 174.286 174.700 -0.181 0.000 0.982 96 T CA -0.572 61.376 62.100 -0.255 0.000 0.978 96 T CB 1.753 70.278 68.868 -0.572 0.000 0.930 96 T HN 0.458 nan 8.240 nan 0.000 0.447 97 V N 3.797 123.647 119.914 -0.107 0.000 2.326 97 V HA 0.281 4.401 4.120 -0.000 0.000 0.281 97 V C -0.036 176.124 176.094 0.109 0.000 1.015 97 V CA -1.301 61.049 62.300 0.084 0.000 0.823 97 V CB 0.679 32.591 31.823 0.149 0.000 1.009 97 V HN 0.835 nan 8.190 nan 0.000 0.436 98 W N 3.458 124.830 121.300 0.120 0.000 2.193 98 W HA 0.099 4.758 4.660 -0.000 0.000 0.338 98 W C 1.050 177.656 176.519 0.145 0.000 1.310 98 W CA 0.443 57.851 57.345 0.105 0.000 1.243 98 W CB 0.385 29.887 29.460 0.070 0.000 1.165 98 W HN 0.800 nan 8.180 nan 0.000 0.566 99 D N 0.381 120.930 120.400 0.248 0.000 3.046 99 D HA -0.211 4.429 4.640 -0.000 0.000 0.210 99 D C 0.048 176.240 176.300 -0.180 0.000 1.124 99 D CA 1.176 55.208 54.000 0.053 0.000 0.986 99 D CB -1.324 39.508 40.800 0.053 0.000 1.118 99 D HN 0.535 nan 8.370 nan 0.000 0.416 100 H N -1.040 118.071 119.070 0.069 0.000 2.380 100 H HA 0.155 4.711 4.556 -0.000 0.000 0.231 100 H C -1.710 173.631 175.328 0.023 0.000 1.415 100 H CA -1.042 55.039 56.048 0.055 0.000 1.433 100 H CB 1.372 31.183 29.762 0.083 0.000 1.544 100 H HN 0.057 nan 8.280 nan 0.000 0.503 101 P HA -0.154 nan 4.420 nan 0.000 0.223 101 P C 1.501 178.823 177.300 0.036 0.000 1.151 101 P CA 0.905 64.017 63.100 0.020 0.000 0.787 101 P CB 0.429 32.128 31.700 -0.001 0.000 0.788 102 E N 0.719 120.958 120.200 0.064 0.000 2.268 102 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 102 E C 1.783 178.417 176.600 0.057 0.000 0.995 102 E CA 0.950 57.387 56.400 0.062 0.000 0.836 102 E CB -0.930 28.823 29.700 0.088 0.000 0.763 102 E HN 0.305 nan 8.360 nan 0.000 0.491 103 L N 0.466 121.743 121.223 0.091 0.000 2.286 103 L HA 0.036 4.375 4.340 -0.000 0.000 0.203 103 L C 2.515 179.407 176.870 0.038 0.000 1.068 103 L CA 1.179 56.050 54.840 0.053 0.000 0.811 103 L CB -0.348 41.790 42.059 0.133 0.000 0.989 103 L HN 0.045 nan 8.230 nan 0.000 0.467 104 T N -0.942 113.637 114.554 0.042 0.000 2.777 104 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 104 T C 1.064 175.755 174.700 -0.015 0.000 1.040 104 T CA 1.758 63.856 62.100 -0.004 0.000 1.141 104 T CB -0.238 68.587 68.868 -0.072 0.000 0.868 104 T HN 0.386 nan 8.240 nan 0.000 0.444 105 T N -0.363 114.184 114.554 -0.011 0.000 3.504 105 T HA 0.324 4.673 4.350 -0.000 0.000 0.286 105 T C -2.121 172.574 174.700 -0.008 0.000 1.530 105 T CA -1.363 60.730 62.100 -0.011 0.000 1.652 105 T CB 1.299 70.160 68.868 -0.012 0.000 0.895 105 T HN 0.059 nan 8.240 nan 0.000 0.674 106 P HA 0.009 nan 4.420 nan 0.000 0.218 106 P C 1.177 178.465 177.300 -0.021 0.000 1.149 106 P CA 0.783 63.868 63.100 -0.025 0.000 0.817 106 P CB 0.012 31.682 31.700 -0.051 0.000 0.785 107 A N -0.732 122.079 122.820 -0.016 0.000 2.415 107 A HA 0.545 4.865 4.320 -0.000 0.000 0.248 107 A C 1.028 178.618 177.584 0.011 0.000 1.299 107 A CA 0.374 52.406 52.037 -0.008 0.000 0.899 107 A CB -0.894 18.100 19.000 -0.010 0.000 0.997 107 A HN 0.387 nan 8.150 nan 0.000 0.506 108 G N -0.599 108.208 108.800 0.012 0.000 2.728 108 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.294 108 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.294 108 G C 0.105 175.028 174.900 0.039 0.000 1.342 108 G CA 0.030 45.147 45.100 0.028 0.000 0.866 108 G HN 0.424 nan 8.290 nan 0.000 0.534 109 Q N -1.235 118.602 119.800 0.061 0.000 2.319 109 Q HA 0.198 4.538 4.340 -0.000 0.000 0.209 109 Q C 1.736 177.785 176.000 0.081 0.000 0.884 109 Q CA 0.638 56.473 55.803 0.054 0.000 0.938 109 Q CB 0.785 29.552 28.738 0.048 0.000 1.098 109 Q HN 0.606 nan 8.270 nan 0.000 0.517 110 Y N 1.581 121.877 120.300 -0.007 0.000 2.347 110 Y HA 0.123 4.673 4.550 -0.000 0.000 0.294 110 Y C 0.699 176.599 175.900 -0.001 0.000 1.117 110 Y CA 0.309 58.407 58.100 -0.003 0.000 1.184 110 Y CB 0.562 39.020 38.460 -0.003 0.000 1.047 110 Y HN -0.151 nan 8.280 nan 0.000 0.546 111 R N 0.978 121.532 120.500 0.090 0.000 2.694 111 R HA 0.152 4.492 4.340 -0.000 0.000 0.268 111 R C 0.558 176.837 176.300 -0.035 0.000 1.061 111 R CA 0.352 56.468 56.100 0.025 0.000 1.133 111 R CB 0.478 30.811 30.300 0.056 0.000 1.020 111 R HN 0.270 nan 8.270 nan 0.000 0.475 112 S N 1.131 116.808 115.700 -0.040 0.000 2.593 112 S HA 0.120 4.590 4.470 -0.000 0.000 0.269 112 S C 1.273 175.866 174.600 -0.011 0.000 1.334 112 S CA -0.194 57.982 58.200 -0.040 0.000 1.015 112 S CB 1.616 64.798 63.200 -0.031 0.000 0.912 112 S HN 0.690 nan 8.310 nan 0.000 0.541 113 A N 2.317 125.127 122.820 -0.016 0.000 1.978 113 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 113 A C 2.441 180.037 177.584 0.021 0.000 1.170 113 A CA 1.938 53.972 52.037 -0.004 0.000 0.636 113 A CB -1.566 17.422 19.000 -0.019 0.000 0.810 113 A HN 1.407 nan 8.150 nan 0.000 0.448 114 S N -0.445 115.267 115.700 0.021 0.000 2.453 114 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 114 S C 1.102 175.769 174.600 0.112 0.000 1.005 114 S CA 1.200 59.431 58.200 0.051 0.000 0.949 114 S CB -0.268 62.947 63.200 0.025 0.000 0.774 114 S HN 0.483 nan 8.310 nan 0.000 0.510 115 D N 1.780 122.229 120.400 0.081 0.000 2.333 115 D HA 0.063 4.703 4.640 -0.000 0.000 0.208 115 D C 1.601 177.941 176.300 0.066 0.000 0.984 115 D CA 1.513 55.567 54.000 0.091 0.000 0.873 115 D CB 0.112 40.946 40.800 0.057 0.000 0.935 115 D HN 0.733 nan 8.370 nan 0.000 0.521 116 T N -3.158 111.427 114.554 0.052 0.000 3.091 116 T HA 0.403 4.752 4.350 -0.000 0.000 0.277 116 T C 0.955 175.676 174.700 0.037 0.000 0.996 116 T CA -0.387 61.726 62.100 0.022 0.000 0.897 116 T CB 0.725 69.599 68.868 0.009 0.000 1.109 116 T HN -0.026 nan 8.240 nan 0.000 0.534 117 G N 1.309 110.160 108.800 0.085 0.000 2.543 117 G HA2 0.451 4.411 3.960 -0.000 0.000 0.290 117 G HA3 0.451 4.411 3.960 -0.000 0.000 0.290 117 G C -0.503 174.493 174.900 0.159 0.000 1.310 117 G CA -0.947 44.215 45.100 0.104 0.000 1.025 117 G HN 0.390 nan 8.290 nan 0.000 0.502 118 N N 0.240 119.045 118.700 0.176 0.000 2.420 118 N HA 0.099 4.838 4.740 -0.000 0.000 0.249 118 N C -0.957 174.741 175.510 0.314 0.000 1.033 118 N CA -0.233 52.945 53.050 0.213 0.000 0.944 118 N CB 1.322 39.928 38.487 0.198 0.000 1.113 118 N HN 0.312 nan 8.380 nan 0.000 0.502 119 W N 1.602 122.925 121.300 0.038 0.000 2.216 119 W HA 0.110 4.770 4.660 -0.000 0.000 0.326 119 W C 0.335 176.876 176.519 0.037 0.000 1.319 119 W CA -0.570 56.792 57.345 0.028 0.000 1.213 119 W CB 0.265 29.739 29.460 0.024 0.000 1.171 119 W HN 0.102 nan 8.180 nan 0.000 0.557 120 V N 5.916 125.931 119.914 0.167 0.000 2.405 120 V HA 0.042 4.161 4.120 -0.000 0.000 0.264 120 V C 0.416 176.579 176.094 0.115 0.000 1.048 120 V CA -0.653 61.713 62.300 0.111 0.000 0.966 120 V CB -0.690 31.160 31.823 0.044 0.000 1.015 120 V HN 0.471 nan 8.190 nan 0.000 0.477 121 N N 2.482 121.266 118.700 0.141 0.000 2.379 121 N HA 0.136 4.876 4.740 -0.000 0.000 0.260 121 N C 1.495 177.053 175.510 0.079 0.000 1.254 121 N CA 0.226 53.358 53.050 0.136 0.000 0.958 121 N CB 0.466 39.036 38.487 0.139 0.000 1.208 121 N HN 0.710 nan 8.380 nan 0.000 0.532 122 S N -0.283 115.459 115.700 0.070 0.000 2.442 122 S HA -0.193 4.276 4.470 -0.000 0.000 0.236 122 S C 1.057 175.677 174.600 0.033 0.000 1.007 122 S CA 1.417 59.642 58.200 0.043 0.000 0.965 122 S CB -0.396 62.829 63.200 0.041 0.000 0.773 122 S HN 0.768 nan 8.310 nan 0.000 0.504 123 D N 0.427 120.852 120.400 0.041 0.000 2.340 123 D HA 0.229 4.869 4.640 -0.000 0.000 0.220 123 D C 1.375 177.692 176.300 0.029 0.000 1.039 123 D CA 0.588 54.608 54.000 0.033 0.000 0.866 123 D CB -0.688 40.134 40.800 0.037 0.000 0.913 123 D HN 0.626 nan 8.370 nan 0.000 0.523 124 G N 0.028 108.847 108.800 0.031 0.000 2.157 124 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 124 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 124 G C 0.385 175.306 174.900 0.035 0.000 0.979 124 G CA 0.539 45.653 45.100 0.023 0.000 0.650 124 G HN 0.825 nan 8.290 nan 0.000 0.529 125 T N -1.131 113.456 114.554 0.054 0.000 2.940 125 T HA 0.781 5.131 4.350 -0.000 0.000 0.288 125 T C 0.455 175.213 174.700 0.097 0.000 1.033 125 T CA -0.389 61.751 62.100 0.066 0.000 1.033 125 T CB 2.538 71.449 68.868 0.073 0.000 1.079 125 T HN 1.322 nan 8.240 nan 0.000 0.496 126 I N -0.934 119.698 120.570 0.103 0.000 2.822 126 I HA 0.804 4.973 4.170 -0.000 0.000 0.312 126 I C -0.805 175.418 176.117 0.178 0.000 1.011 126 I CA -1.552 59.839 61.300 0.150 0.000 1.105 126 I CB 1.511 39.597 38.000 0.144 0.000 1.291 126 I HN 0.659 nan 8.210 nan 0.000 0.474 127 F N 4.003 123.996 119.950 0.070 0.000 2.404 127 F HA 0.515 5.042 4.527 -0.000 0.000 0.345 127 F C -1.387 174.463 175.800 0.083 0.000 1.110 127 F CA -0.391 57.635 58.000 0.043 0.000 1.130 127 F CB 0.848 39.835 39.000 -0.021 0.000 1.129 127 F HN 0.483 nan 8.300 nan 0.000 0.500 128 Y N 7.881 127.606 120.300 -0.958 0.000 2.409 128 Y HA 0.493 5.043 4.550 -0.000 0.000 0.343 128 Y C -2.363 172.803 175.900 -1.222 0.000 0.973 128 Y CA -2.857 54.759 58.100 -0.806 0.000 1.064 128 Y CB 1.644 39.888 38.460 -0.360 0.000 1.207 128 Y HN 0.470 nan 8.280 nan 0.000 0.452 129 P HA -0.030 nan 4.420 nan 0.000 0.266 129 P C -0.713 176.152 177.300 -0.725 0.000 1.195 129 P CA 1.054 63.558 63.100 -0.992 0.000 0.768 129 P CB 0.677 31.784 31.700 -0.988 0.000 0.838 130 Y N 0.193 120.256 120.300 -0.394 0.000 2.786 130 Y HA -0.325 4.224 4.550 -0.000 0.000 0.482 130 Y C 1.904 177.501 175.900 -0.505 0.000 1.231 130 Y CA 1.728 59.451 58.100 -0.628 0.000 2.675 130 Y CB -2.555 35.295 38.460 -1.017 0.000 0.944 130 Y HN 0.450 nan 8.280 nan 0.000 0.535 131 I N -1.614 118.870 120.570 -0.144 0.000 3.226 131 I HA 0.546 4.716 4.170 -0.000 0.000 0.277 131 I C 1.627 177.728 176.117 -0.026 0.000 1.243 131 I CA 0.954 62.276 61.300 0.036 0.000 1.459 131 I CB -0.114 37.949 38.000 0.105 0.000 1.093 131 I HN 0.666 nan 8.210 nan 0.000 0.453 132 G N 2.147 110.823 108.800 -0.207 0.000 2.498 132 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.251 132 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.251 132 G C -0.397 174.442 174.900 -0.102 0.000 1.170 132 G CA -0.115 44.910 45.100 -0.126 0.000 0.944 132 G HN 0.420 nan 8.290 nan 0.000 0.567 133 K N 0.094 120.530 120.400 0.060 0.000 2.339 133 K HA 0.521 4.841 4.320 -0.000 0.000 0.286 133 K C -0.365 176.258 176.600 0.039 0.000 1.050 133 K CA -0.256 56.078 56.287 0.079 0.000 0.956 133 K CB 1.658 34.223 32.500 0.107 0.000 0.990 133 K HN 0.418 nan 8.250 nan 0.000 0.475 134 V N 3.699 123.632 119.914 0.032 0.000 2.407 134 V HA 0.080 4.199 4.120 -0.000 0.000 0.291 134 V C -0.285 175.823 176.094 0.024 0.000 1.018 134 V CA -0.913 61.395 62.300 0.014 0.000 0.842 134 V CB 1.356 33.170 31.823 -0.014 0.000 0.996 134 V HN 0.678 nan 8.190 nan 0.000 0.426 135 Q N 4.064 123.875 119.800 0.019 0.000 2.271 135 Q HA 0.214 4.554 4.340 -0.000 0.000 0.273 135 Q C 0.336 176.341 176.000 0.008 0.000 1.051 135 Q CA 0.652 56.465 55.803 0.017 0.000 0.901 135 Q CB 1.269 30.014 28.738 0.012 0.000 1.174 135 Q HN 0.761 nan 8.270 nan 0.000 0.385 136 V N 1.051 120.972 119.914 0.011 0.000 3.431 136 V HA 0.573 4.693 4.120 -0.000 0.000 0.255 136 V C 0.683 176.775 176.094 -0.004 0.000 1.403 136 V CA 0.159 62.462 62.300 0.005 0.000 1.101 136 V CB -0.583 31.249 31.823 0.014 0.000 0.891 136 V HN 0.725 nan 8.190 nan 0.000 0.446 137 A N 1.285 124.102 122.820 -0.006 0.000 2.546 137 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 137 A C 1.645 179.205 177.584 -0.040 0.000 1.063 137 A CA 1.043 53.065 52.037 -0.026 0.000 0.757 137 A CB -0.768 18.220 19.000 -0.021 0.000 0.991 137 A HN 2.140 nan 8.150 nan 0.000 0.503 138 G N 1.732 110.490 108.800 -0.069 0.000 2.176 138 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.253 138 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.253 138 G C 0.212 175.074 174.900 -0.063 0.000 0.979 138 G CA 0.573 45.630 45.100 -0.071 0.000 0.641 138 G HN 0.820 nan 8.290 nan 0.000 0.530 139 K N 1.195 121.565 120.400 -0.050 0.000 2.156 139 K HA 0.602 4.922 4.320 -0.000 0.000 0.250 139 K C 0.698 177.285 176.600 -0.022 0.000 0.955 139 K CA 0.042 56.311 56.287 -0.030 0.000 0.855 139 K CB 1.513 34.005 32.500 -0.013 0.000 1.101 139 K HN 0.400 nan 8.250 nan 0.000 0.434 140 T N -2.734 111.817 114.554 -0.005 0.000 2.828 140 T HA 0.075 4.425 4.350 -0.000 0.000 0.290 140 T C 1.612 176.342 174.700 0.050 0.000 1.019 140 T CA -0.538 61.581 62.100 0.033 0.000 1.031 140 T CB 0.700 69.585 68.868 0.028 0.000 1.001 140 T HN 0.375 nan 8.240 nan 0.000 0.531 141 V N -0.616 119.349 119.914 0.086 0.000 2.594 141 V HA -0.080 4.040 4.120 -0.000 0.000 0.253 141 V C 2.440 178.558 176.094 0.040 0.000 1.069 141 V CA 1.739 64.078 62.300 0.065 0.000 1.082 141 V CB -1.550 30.320 31.823 0.080 0.000 0.680 141 V HN 0.867 nan 8.190 nan 0.000 0.469 142 S N 0.073 115.798 115.700 0.043 0.000 2.368 142 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 142 S C 2.033 176.642 174.600 0.016 0.000 1.029 142 S CA 1.961 60.180 58.200 0.031 0.000 0.988 142 S CB -0.343 62.876 63.200 0.031 0.000 0.838 142 S HN 0.761 nan 8.310 nan 0.000 0.462 143 Q N 0.322 120.130 119.800 0.012 0.000 2.050 143 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 143 Q C 2.270 178.267 176.000 -0.006 0.000 0.980 143 Q CA 1.462 57.267 55.803 0.002 0.000 0.840 143 Q CB -0.338 28.399 28.738 -0.000 0.000 0.898 143 Q HN 0.356 nan 8.270 nan 0.000 0.424 144 V N 0.923 120.833 119.914 -0.006 0.000 2.407 144 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 144 V C 2.319 178.389 176.094 -0.041 0.000 1.055 144 V CA 2.007 64.292 62.300 -0.025 0.000 1.049 144 V CB -0.630 31.180 31.823 -0.022 0.000 0.662 144 V HN 0.329 nan 8.190 nan 0.000 0.455 145 R N 0.003 120.490 120.500 -0.022 0.000 2.083 145 R HA -0.233 4.107 4.340 -0.000 0.000 0.237 145 R C 2.393 178.681 176.300 -0.020 0.000 1.137 145 R CA 2.060 58.148 56.100 -0.020 0.000 0.951 145 R CB -0.265 30.044 30.300 0.014 0.000 0.851 145 R HN 0.590 nan 8.270 nan 0.000 0.434 146 Q N 0.043 119.838 119.800 -0.010 0.000 2.061 146 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 146 Q C 1.814 177.805 176.000 -0.016 0.000 0.984 146 Q CA 1.987 57.785 55.803 -0.008 0.000 0.846 146 Q CB -0.201 28.535 28.738 -0.004 0.000 0.902 146 Q HN 0.417 nan 8.270 nan 0.000 0.421 147 D N 0.403 120.789 120.400 -0.024 0.000 2.097 147 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 147 D C 1.682 177.958 176.300 -0.040 0.000 0.989 147 D CA 1.059 55.044 54.000 -0.025 0.000 0.827 147 D CB -0.056 40.729 40.800 -0.025 0.000 0.966 147 D HN 0.171 nan 8.370 nan 0.000 0.456 148 I N 0.037 120.560 120.570 -0.079 0.000 2.226 148 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 148 I C 2.205 178.278 176.117 -0.075 0.000 1.100 148 I CA 1.154 62.376 61.300 -0.130 0.000 1.374 148 I CB -0.501 37.331 38.000 -0.281 0.000 1.057 148 I HN 0.084 nan 8.210 nan 0.000 0.413 149 T N 0.134 114.660 114.554 -0.046 0.000 2.684 149 T HA -0.171 4.178 4.350 -0.000 0.000 0.267 149 T C 2.149 176.851 174.700 0.003 0.000 1.036 149 T CA 1.865 63.959 62.100 -0.010 0.000 1.148 149 T CB -0.252 68.617 68.868 0.002 0.000 0.863 149 T HN 0.273 nan 8.240 nan 0.000 0.436 150 S N 1.049 116.748 115.700 -0.001 0.000 2.353 150 S HA -0.106 4.363 4.470 -0.000 0.000 0.222 150 S C 2.215 176.824 174.600 0.016 0.000 1.035 150 S CA 1.180 59.382 58.200 0.004 0.000 1.025 150 S CB -0.238 62.962 63.200 0.000 0.000 0.902 150 S HN 0.445 nan 8.310 nan 0.000 0.440 151 R N 0.172 120.689 120.500 0.028 0.000 2.115 151 R HA 0.059 4.399 4.340 -0.000 0.000 0.230 151 R C 1.944 178.329 176.300 0.142 0.000 1.111 151 R CA 0.701 56.843 56.100 0.070 0.000 0.976 151 R CB -0.338 30.003 30.300 0.070 0.000 0.870 151 R HN 0.211 nan 8.270 nan 0.000 0.445 152 L N 0.613 121.912 121.223 0.126 0.000 2.291 152 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 152 L C 1.839 178.788 176.870 0.132 0.000 1.120 152 L CA 1.710 56.666 54.840 0.193 0.000 0.799 152 L CB -0.659 41.463 42.059 0.104 0.000 0.925 152 L HN 0.098 nan 8.230 nan 0.000 0.446 153 T N -1.014 113.568 114.554 0.047 0.000 2.778 153 T HA -0.203 4.146 4.350 -0.000 0.000 0.269 153 T C 1.663 176.320 174.700 -0.071 0.000 1.050 153 T CA 1.922 64.019 62.100 -0.006 0.000 1.137 153 T CB -0.166 68.693 68.868 -0.015 0.000 0.860 153 T HN 0.394 nan 8.240 nan 0.000 0.468 154 T N 0.122 114.584 114.554 -0.154 0.000 3.007 154 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 154 T C 1.024 175.367 174.700 -0.595 0.000 1.107 154 T CA 0.965 62.809 62.100 -0.427 0.000 1.118 154 T CB -0.159 68.300 68.868 -0.681 0.000 0.889 154 T HN 0.559 nan 8.240 nan 0.000 0.506 155 Y N -0.516 119.746 120.300 -0.063 0.000 2.589 155 Y HA 0.482 5.032 4.550 -0.000 0.000 0.271 155 Y C 0.756 176.575 175.900 -0.134 0.000 1.107 155 Y CA -0.730 57.293 58.100 -0.129 0.000 1.273 155 Y CB 0.775 39.112 38.460 -0.204 0.000 1.266 155 Y HN 0.068 nan 8.280 nan 0.000 0.504 156 I N 0.591 121.179 120.570 0.031 0.000 2.509 156 I HA 0.272 4.441 4.170 -0.000 0.000 0.293 156 I C -0.699 175.422 176.117 0.007 0.000 1.020 156 I CA -1.171 60.122 61.300 -0.012 0.000 1.088 156 I CB 2.275 40.212 38.000 -0.105 0.000 1.267 156 I HN -0.122 nan 8.210 nan 0.000 0.430 157 E N 3.729 123.946 120.200 0.028 0.000 2.290 157 E HA 0.139 4.489 4.350 -0.000 0.000 0.277 157 E C 0.187 176.812 176.600 0.041 0.000 1.035 157 E CA 0.345 56.760 56.400 0.025 0.000 0.873 157 E CB 0.678 30.395 29.700 0.028 0.000 1.029 157 E HN 0.581 nan 8.360 nan 0.000 0.419 158 S N 4.434 120.151 115.700 0.027 0.000 3.572 158 S HA -0.098 4.372 4.470 -0.000 0.000 0.394 158 S C -2.376 172.255 174.600 0.053 0.000 0.923 158 S CA -0.006 58.213 58.200 0.032 0.000 1.291 158 S CB -0.851 62.367 63.200 0.030 0.000 0.914 158 S HN 0.491 nan 8.310 nan 0.000 0.545 159 P HA 0.244 nan 4.420 nan 0.000 0.271 159 P C -0.641 176.715 177.300 0.094 0.000 1.220 159 P CA 0.026 63.165 63.100 0.064 0.000 0.768 159 P CB 0.581 32.300 31.700 0.032 0.000 0.848 160 Q N 2.282 122.182 119.800 0.166 0.000 2.400 160 Q HA 0.414 4.754 4.340 -0.000 0.000 0.255 160 Q C -0.451 175.777 176.000 0.379 0.000 1.008 160 Q CA -0.587 55.340 55.803 0.207 0.000 0.841 160 Q CB 1.585 30.426 28.738 0.172 0.000 1.220 160 Q HN 0.224 nan 8.270 nan 0.000 0.474 161 V N 1.902 121.982 119.914 0.278 0.000 2.735 161 V HA 0.483 4.602 4.120 -0.000 0.000 0.310 161 V C -0.551 175.713 176.094 0.284 0.000 1.061 161 V CA -0.784 61.663 62.300 0.246 0.000 0.913 161 V CB 2.497 34.364 31.823 0.074 0.000 1.005 161 V HN 0.544 nan 8.190 nan 0.000 0.428 162 D N 1.682 122.239 120.400 0.260 0.000 2.575 162 D HA 0.730 5.370 4.640 -0.000 0.000 0.236 162 D C -1.407 174.929 176.300 0.059 0.000 1.075 162 D CA -0.178 53.945 54.000 0.205 0.000 0.860 162 D CB 2.515 43.521 40.800 0.344 0.000 1.475 162 D HN 0.281 nan 8.370 nan 0.000 0.474 163 V N 1.931 121.872 119.914 0.044 0.000 2.638 163 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 163 V C -0.067 176.039 176.094 0.020 0.000 1.052 163 V CA -0.590 61.714 62.300 0.005 0.000 0.885 163 V CB 1.527 33.340 31.823 -0.016 0.000 0.999 163 V HN 0.744 nan 8.190 nan 0.000 0.424 164 S N 4.436 120.133 115.700 -0.004 0.000 2.720 164 S HA 0.749 5.218 4.470 -0.000 0.000 0.287 164 S C -1.137 173.409 174.600 -0.090 0.000 1.168 164 S CA -0.940 57.252 58.200 -0.014 0.000 0.832 164 S CB 1.995 65.197 63.200 0.003 0.000 1.166 164 S HN 0.385 nan 8.310 nan 0.000 0.493 165 I N 1.674 122.124 120.570 -0.201 0.000 2.321 165 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 165 I C 1.211 177.080 176.117 -0.415 0.000 0.998 165 I CA -0.597 60.430 61.300 -0.454 0.000 1.227 165 I CB 0.722 38.047 38.000 -1.125 0.000 1.368 165 I HN 0.981 nan 8.210 nan 0.000 0.466 166 A N 5.392 128.048 122.820 -0.273 0.000 1.975 166 A HA 0.504 4.824 4.320 -0.000 0.000 0.215 166 A C 1.023 178.497 177.584 -0.183 0.000 1.170 166 A CA 0.790 52.728 52.037 -0.163 0.000 0.656 166 A CB 0.190 19.148 19.000 -0.069 0.000 0.821 166 A HN 0.764 nan 8.150 nan 0.000 0.449 167 A N -0.864 121.791 122.820 -0.274 0.000 2.402 167 A HA 0.637 4.956 4.320 -0.000 0.000 0.291 167 A C -1.250 176.151 177.584 -0.305 0.000 1.051 167 A CA -0.518 51.399 52.037 -0.200 0.000 0.716 167 A CB 0.394 19.331 19.000 -0.105 0.000 1.223 167 A HN 0.178 nan 8.150 nan 0.000 0.425 168 F N 2.235 122.131 119.950 -0.090 0.000 2.377 168 F HA 0.391 4.918 4.527 -0.000 0.000 0.360 168 F C 1.462 177.237 175.800 -0.042 0.000 1.147 168 F CA 0.101 58.048 58.000 -0.089 0.000 1.170 168 F CB 0.949 39.850 39.000 -0.165 0.000 1.339 168 F HN 0.717 nan 8.300 nan 0.000 0.552 169 R N -0.012 120.541 120.500 0.088 0.000 2.394 169 R HA 0.027 4.367 4.340 -0.000 0.000 0.220 169 R C 1.885 178.206 176.300 0.035 0.000 0.887 169 R CA 0.732 56.846 56.100 0.023 0.000 1.034 169 R CB 0.393 30.639 30.300 -0.090 0.000 1.179 169 R HN 0.570 nan 8.270 nan 0.000 0.561 170 S N 0.330 116.078 115.700 0.079 0.000 2.425 170 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 170 S C 0.757 175.394 174.600 0.062 0.000 1.024 170 S CA 0.289 58.518 58.200 0.048 0.000 0.951 170 S CB 0.141 63.369 63.200 0.047 0.000 0.796 170 S HN 0.155 nan 8.310 nan 0.000 0.498 171 Q N 1.165 121.048 119.800 0.138 0.000 2.337 171 Q HA 0.638 4.978 4.340 -0.000 0.000 0.270 171 Q C -0.985 175.081 176.000 0.110 0.000 1.043 171 Q CA -0.681 55.209 55.803 0.144 0.000 0.794 171 Q CB 2.277 31.144 28.738 0.215 0.000 1.281 171 Q HN 0.473 nan 8.270 nan 0.000 0.446 172 K N -0.588 119.836 120.400 0.040 0.000 2.575 172 K HA 0.678 4.998 4.320 -0.000 0.000 0.279 172 K C -1.561 174.889 176.600 -0.250 0.000 0.969 172 K CA -0.771 55.452 56.287 -0.107 0.000 0.868 172 K CB 1.358 33.751 32.500 -0.179 0.000 1.457 172 K HN 0.334 nan 8.250 nan 0.000 0.426 173 V N 1.383 121.118 119.914 -0.299 0.000 2.815 173 V HA 0.416 4.536 4.120 -0.000 0.000 0.314 173 V C -1.399 174.427 176.094 -0.446 0.000 1.064 173 V CA -0.806 61.310 62.300 -0.307 0.000 0.952 173 V CB 1.355 33.123 31.823 -0.093 0.000 1.020 173 V HN 0.654 nan 8.190 nan 0.000 0.439 174 Y N 2.012 122.357 120.300 0.075 0.000 2.385 174 Y HA 0.555 5.105 4.550 -0.000 0.000 0.341 174 Y C 0.032 175.978 175.900 0.077 0.000 0.965 174 Y CA -0.854 57.289 58.100 0.072 0.000 1.180 174 Y CB 1.444 39.948 38.460 0.074 0.000 1.139 174 Y HN 0.283 nan 8.280 nan 0.000 0.502 175 V N 4.481 124.500 119.914 0.175 0.000 2.311 175 V HA 0.532 4.652 4.120 -0.000 0.000 0.275 175 V C -0.154 176.022 176.094 0.137 0.000 1.022 175 V CA -0.388 61.987 62.300 0.125 0.000 0.830 175 V CB 0.831 32.691 31.823 0.062 0.000 1.012 175 V HN 0.875 nan 8.190 nan 0.000 0.452 176 T N 2.332 116.984 114.554 0.164 0.000 2.883 176 T HA 0.900 5.250 4.350 -0.000 0.000 0.296 176 T C 0.351 175.132 174.700 0.135 0.000 1.117 176 T CA 0.164 62.374 62.100 0.184 0.000 1.006 176 T CB 1.990 71.016 68.868 0.263 0.000 1.191 176 T HN 1.294 nan 8.240 nan 0.000 0.508 177 G N 1.340 110.209 108.800 0.115 0.000 2.464 177 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 177 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 177 G C -0.919 173.942 174.900 -0.065 0.000 1.186 177 G CA -0.672 44.408 45.100 -0.032 0.000 1.010 177 G HN 0.628 nan 8.290 nan 0.000 0.585 178 E N 1.403 121.515 120.200 -0.146 0.000 2.594 178 E HA 0.354 4.704 4.350 -0.000 0.000 0.300 178 E C 0.992 177.552 176.600 -0.066 0.000 1.568 178 E CA 0.442 56.790 56.400 -0.086 0.000 1.811 178 E CB -0.191 29.453 29.700 -0.094 0.000 1.458 178 E HN 1.052 nan 8.360 nan 0.000 0.470 179 V N -2.991 116.898 119.914 -0.042 0.000 2.966 179 V HA 0.650 4.769 4.120 -0.000 0.000 0.317 179 V C 1.432 177.516 176.094 -0.016 0.000 1.070 179 V CA -0.418 61.867 62.300 -0.025 0.000 1.008 179 V CB 1.608 33.426 31.823 -0.010 0.000 1.070 179 V HN 0.136 nan 8.190 nan 0.000 0.457 180 A N 1.933 124.743 122.820 -0.016 0.000 1.902 180 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 180 A C 0.964 178.547 177.584 -0.002 0.000 1.181 180 A CA 1.710 53.739 52.037 -0.013 0.000 0.623 180 A CB -0.934 18.056 19.000 -0.017 0.000 0.818 180 A HN 0.988 nan 8.150 nan 0.000 0.443 181 N N -0.170 118.531 118.700 0.003 0.000 2.617 181 N HA 0.366 5.106 4.740 -0.000 0.000 0.263 181 N C -1.151 174.372 175.510 0.023 0.000 1.074 181 N CA -0.218 52.839 53.050 0.012 0.000 0.841 181 N CB 1.777 40.269 38.487 0.009 0.000 1.221 181 N HN 0.111 nan 8.380 nan 0.000 0.529 182 S N 1.016 116.736 115.700 0.034 0.000 2.579 182 S HA 0.726 5.196 4.470 -0.000 0.000 0.275 182 S C 0.782 175.420 174.600 0.063 0.000 1.345 182 S CA -0.121 58.112 58.200 0.056 0.000 1.031 182 S CB 1.063 64.305 63.200 0.069 0.000 0.892 182 S HN 0.743 nan 8.310 nan 0.000 0.529 183 G N 1.077 109.929 108.800 0.087 0.000 2.352 183 G HA2 0.310 4.270 3.960 -0.000 0.000 0.302 183 G HA3 0.310 4.270 3.960 -0.000 0.000 0.302 183 G C -1.999 172.966 174.900 0.108 0.000 1.370 183 G CA -1.185 43.973 45.100 0.097 0.000 0.918 183 G HN 0.479 nan 8.290 nan 0.000 0.610 184 K N 0.395 120.861 120.400 0.110 0.000 2.414 184 K HA 0.481 4.801 4.320 -0.000 0.000 0.272 184 K C 0.349 176.939 176.600 -0.016 0.000 0.993 184 K CA 0.417 56.721 56.287 0.029 0.000 0.964 184 K CB 0.475 32.990 32.500 0.026 0.000 0.925 184 K HN 0.527 nan 8.250 nan 0.000 0.487 185 Q N 0.714 120.471 119.800 -0.071 0.000 2.304 185 Q HA 0.510 4.850 4.340 -0.000 0.000 0.270 185 Q C -1.028 174.923 176.000 -0.081 0.000 1.035 185 Q CA -1.029 54.737 55.803 -0.061 0.000 0.781 185 Q CB 2.238 30.943 28.738 -0.055 0.000 1.261 185 Q HN 0.723 nan 8.270 nan 0.000 0.444 186 A N 3.373 126.154 122.820 -0.065 0.000 2.462 186 A HA 0.235 4.555 4.320 -0.000 0.000 0.243 186 A C 0.062 177.592 177.584 -0.090 0.000 1.076 186 A CA -0.214 51.791 52.037 -0.053 0.000 0.773 186 A CB 0.179 19.160 19.000 -0.033 0.000 1.010 186 A HN 0.609 nan 8.150 nan 0.000 0.493 187 I N 2.964 123.530 120.570 -0.007 0.000 2.416 187 I HA 0.256 4.426 4.170 -0.000 0.000 0.288 187 I C 1.148 177.201 176.117 -0.108 0.000 1.051 187 I CA 0.716 62.040 61.300 0.041 0.000 1.375 187 I CB 0.150 38.281 38.000 0.217 0.000 1.407 187 I HN 0.911 nan 8.210 nan 0.000 0.516 188 T N 2.501 116.848 114.554 -0.346 0.000 2.645 188 T HA 0.271 4.621 4.350 -0.000 0.000 0.273 188 T C 0.980 175.465 174.700 -0.357 0.000 0.960 188 T CA -0.712 60.726 62.100 -1.103 0.000 1.051 188 T CB 1.162 69.154 68.868 -1.459 0.000 1.366 188 T HN 0.532 nan 8.240 nan 0.000 0.536 189 N N -0.183 118.285 118.700 -0.387 0.000 2.550 189 N HA 0.040 4.780 4.740 -0.000 0.000 0.186 189 N C 0.021 175.639 175.510 0.180 0.000 1.110 189 N CA 0.245 53.377 53.050 0.138 0.000 0.912 189 N CB -0.586 37.995 38.487 0.156 0.000 0.968 189 N HN 0.571 nan 8.380 nan 0.000 0.448 190 I N 1.762 122.287 120.570 -0.075 0.000 2.336 190 I HA 0.301 4.471 4.170 -0.000 0.000 0.292 190 I C -2.213 173.662 176.117 -0.404 0.000 0.991 190 I CA -2.468 58.724 61.300 -0.180 0.000 1.227 190 I CB 1.601 39.498 38.000 -0.172 0.000 1.366 190 I HN -0.188 nan 8.210 nan 0.000 0.466 191 P HA 0.030 nan 4.420 nan 0.000 0.265 191 P C -0.870 176.138 177.300 -0.486 0.000 1.193 191 P CA -0.188 62.309 63.100 -1.005 0.000 0.765 191 P CB 0.444 31.652 31.700 -0.820 0.000 0.823 192 L N 4.536 125.523 121.223 -0.394 0.000 2.295 192 L HA 0.389 4.729 4.340 -0.000 0.000 0.281 192 L C 0.257 177.001 176.870 -0.210 0.000 1.018 192 L CA -0.040 54.656 54.840 -0.241 0.000 0.841 192 L CB 0.473 42.425 42.059 -0.179 0.000 1.218 192 L HN 0.405 nan 8.230 nan 0.000 0.424 193 T N 1.410 115.864 114.554 -0.168 0.000 2.912 193 T HA 0.629 4.979 4.350 -0.000 0.000 0.280 193 T C 0.753 175.415 174.700 -0.064 0.000 0.989 193 T CA -0.722 61.309 62.100 -0.114 0.000 0.995 193 T CB 1.063 69.869 68.868 -0.103 0.000 1.077 193 T HN 0.267 nan 8.240 nan 0.000 0.531 197 A N 1.991 124.785 122.820 -0.044 0.000 1.883 197 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 197 A C 2.115 179.691 177.584 -0.013 0.000 1.186 197 A CA 1.267 53.286 52.037 -0.029 0.000 0.624 197 A CB -0.550 18.439 19.000 -0.019 0.000 0.822 197 A HN 0.216 nan 8.150 nan 0.000 0.444 198 I N 0.729 121.297 120.570 -0.004 0.000 2.286 198 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 198 I C 1.985 178.101 176.117 -0.002 0.000 1.115 198 I CA 1.283 62.587 61.300 0.006 0.000 1.392 198 I CB -1.567 36.446 38.000 0.022 0.000 1.065 198 I HN 0.407 nan 8.210 nan 0.000 0.418 199 N N 0.935 119.629 118.700 -0.010 0.000 2.216 199 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 199 N C 1.869 177.367 175.510 -0.019 0.000 1.017 199 N CA 1.296 54.337 53.050 -0.015 0.000 0.861 199 N CB 0.163 38.638 38.487 -0.020 0.000 0.986 199 N HN 0.295 nan 8.380 nan 0.000 0.428 200 A N 0.987 123.792 122.820 -0.024 0.000 2.067 200 A HA 0.095 4.414 4.320 -0.000 0.000 0.219 200 A C 2.053 179.628 177.584 -0.016 0.000 1.158 200 A CA 1.349 53.371 52.037 -0.026 0.000 0.661 200 A CB -0.256 18.722 19.000 -0.036 0.000 0.801 200 A HN 0.291 nan 8.150 nan 0.000 0.452 201 A N -1.556 121.258 122.820 -0.010 0.000 2.278 201 A HA 0.426 4.746 4.320 -0.000 0.000 0.212 201 A C 1.653 179.233 177.584 -0.006 0.000 1.213 201 A CA 1.025 53.060 52.037 -0.003 0.000 0.840 201 A CB -0.981 18.021 19.000 0.003 0.000 0.866 201 A HN 1.809 nan 8.150 nan 0.000 0.489 202 G N -2.017 106.776 108.800 -0.011 0.000 2.147 202 G HA2 0.215 4.175 3.960 -0.000 0.000 0.244 202 G HA3 0.215 4.175 3.960 -0.000 0.000 0.244 202 G C 1.374 176.263 174.900 -0.017 0.000 1.005 202 G CA 0.542 45.634 45.100 -0.014 0.000 0.713 202 G HN 2.376 nan 8.290 nan 0.000 0.515 203 G N -1.595 107.196 108.800 -0.014 0.000 2.660 203 G HA2 0.064 4.024 3.960 -0.000 0.000 0.215 203 G HA3 0.064 4.024 3.960 -0.000 0.000 0.215 203 G C -0.074 174.812 174.900 -0.023 0.000 1.345 203 G CA -0.268 44.822 45.100 -0.017 0.000 0.877 203 G HN 1.247 nan 8.290 nan 0.000 0.549 204 L N 0.660 121.860 121.223 -0.039 0.000 2.379 204 L HA 0.665 5.005 4.340 -0.000 0.000 0.269 204 L C 1.329 178.158 176.870 -0.068 0.000 1.084 204 L CA -0.335 54.474 54.840 -0.052 0.000 0.802 204 L CB 1.303 43.319 42.059 -0.073 0.000 1.175 204 L HN 1.171 nan 8.230 nan 0.000 0.448 205 A N 1.505 124.287 122.820 -0.062 0.000 2.313 205 A HA 0.506 4.826 4.320 -0.000 0.000 0.261 205 A C 1.154 178.687 177.584 -0.085 0.000 1.090 205 A CA 0.337 52.337 52.037 -0.062 0.000 0.807 205 A CB 0.557 19.529 19.000 -0.046 0.000 1.055 205 A HN 0.936 nan 8.150 nan 0.000 0.492 206 A N 0.491 123.263 122.820 -0.079 0.000 1.978 206 A HA -0.127 4.192 4.320 -0.000 0.000 0.220 206 A C 1.329 178.857 177.584 -0.093 0.000 1.170 206 A CA 2.011 53.992 52.037 -0.094 0.000 0.636 206 A CB -0.488 18.469 19.000 -0.071 0.000 0.810 206 A HN 0.887 nan 8.150 nan 0.000 0.448 207 D N -0.298 120.062 120.400 -0.067 0.000 2.358 207 D HA 0.381 5.020 4.640 -0.000 0.000 0.224 207 D C 0.414 176.685 176.300 -0.049 0.000 1.123 207 D CA 0.355 54.324 54.000 -0.052 0.000 0.833 207 D CB -0.567 40.215 40.800 -0.031 0.000 0.946 207 D HN 0.333 nan 8.370 nan 0.000 0.505 208 A N 0.655 123.435 122.820 -0.067 0.000 2.440 208 A HA 0.226 4.546 4.320 -0.000 0.000 0.251 208 A C 0.035 177.626 177.584 0.012 0.000 1.089 208 A CA -0.400 51.609 52.037 -0.047 0.000 0.779 208 A CB 0.339 19.309 19.000 -0.051 0.000 1.022 208 A HN 0.119 nan 8.150 nan 0.000 0.492 209 D N 3.669 124.093 120.400 0.041 0.000 2.494 209 D HA 0.105 4.745 4.640 -0.000 0.000 0.217 209 D C 1.010 177.435 176.300 0.209 0.000 1.153 209 D CA -0.620 53.453 54.000 0.123 0.000 0.954 209 D CB -0.010 40.829 40.800 0.065 0.000 1.034 209 D HN 0.583 nan 8.370 nan 0.000 0.518 210 W N 3.787 125.067 121.300 -0.033 0.000 2.699 210 W HA 0.062 4.721 4.660 -0.000 0.000 0.249 210 W C 0.653 177.184 176.519 0.020 0.000 1.280 210 W CA -0.177 57.161 57.345 -0.011 0.000 1.345 210 W CB -0.839 28.628 29.460 0.011 0.000 1.128 210 W HN 0.288 nan 8.180 nan 0.000 0.642 211 R N 0.691 121.161 120.500 -0.050 0.000 2.276 211 R HA 0.061 4.400 4.340 -0.000 0.000 0.196 211 R C 0.486 176.754 176.300 -0.052 0.000 0.961 211 R CA 0.555 56.550 56.100 -0.175 0.000 1.024 211 R CB -0.130 30.052 30.300 -0.196 0.000 0.940 211 R HN 0.087 nan 8.270 nan 0.000 0.480 212 N N 0.542 119.247 118.700 0.009 0.000 2.571 212 N HA 0.108 4.848 4.740 -0.000 0.000 0.298 212 N C -0.923 174.612 175.510 0.041 0.000 1.671 212 N CA -0.031 53.035 53.050 0.028 0.000 0.900 212 N CB 1.727 40.241 38.487 0.045 0.000 1.365 212 N HN -0.136 nan 8.380 nan 0.000 0.493 213 V N 1.247 121.179 119.914 0.030 0.000 2.811 213 V HA 0.169 4.289 4.120 -0.000 0.000 0.302 213 V C 0.579 176.713 176.094 0.066 0.000 1.063 213 V CA -0.128 62.188 62.300 0.027 0.000 1.088 213 V CB 1.641 33.480 31.823 0.025 0.000 0.982 213 V HN -0.041 nan 8.190 nan 0.000 0.485 214 V N 5.557 125.543 119.914 0.119 0.000 2.409 214 V HA 0.418 4.538 4.120 -0.000 0.000 0.291 214 V C -0.427 175.739 176.094 0.121 0.000 1.020 214 V CA -0.587 61.798 62.300 0.142 0.000 0.848 214 V CB 1.512 33.476 31.823 0.236 0.000 0.990 214 V HN 0.643 nan 8.190 nan 0.000 0.430 215 L N 5.088 126.341 121.223 0.050 0.000 2.280 215 L HA 0.665 5.005 4.340 -0.000 0.000 0.287 215 L C 0.190 177.089 176.870 0.050 0.000 1.023 215 L CA 0.523 55.383 54.840 0.034 0.000 0.819 215 L CB 1.608 43.626 42.059 -0.068 0.000 1.212 215 L HN 0.704 nan 8.230 nan 0.000 0.420 216 T N 4.262 118.869 114.554 0.089 0.000 2.733 216 T HA 0.375 4.725 4.350 -0.000 0.000 0.294 216 T C -1.075 173.704 174.700 0.133 0.000 0.956 216 T CA -0.001 62.149 62.100 0.084 0.000 0.987 216 T CB 0.100 69.005 68.868 0.063 0.000 0.920 216 T HN 0.628 nan 8.240 nan 0.000 0.470 217 H N 2.855 121.925 119.070 0.000 0.000 2.840 217 H HA 0.320 4.876 4.556 -0.000 0.000 0.340 217 H C 0.245 175.552 175.328 -0.035 0.000 1.004 217 H CA -0.641 55.402 56.048 -0.008 0.000 1.288 217 H CB 0.370 30.132 29.762 0.000 0.000 1.607 217 H HN 0.764 nan 8.280 nan 0.000 0.522 218 N N 3.951 122.299 118.700 -0.586 0.000 2.699 218 N HA -0.263 4.477 4.740 -0.000 0.000 0.256 218 N C 0.553 175.941 175.510 -0.204 0.000 0.993 218 N CA 0.718 53.503 53.050 -0.442 0.000 0.759 218 N CB -0.751 37.375 38.487 -0.602 0.000 0.906 218 N HN 1.129 nan 8.380 nan 0.000 0.541 219 G N -0.125 108.605 108.800 -0.117 0.000 2.143 219 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.249 219 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.249 219 G C -0.101 174.774 174.900 -0.041 0.000 0.981 219 G CA 0.840 45.901 45.100 -0.064 0.000 0.665 219 G HN 0.669 nan 8.290 nan 0.000 0.528 220 K N 0.459 120.840 120.400 -0.031 0.000 2.426 220 K HA 0.559 4.879 4.320 -0.000 0.000 0.254 220 K C -1.496 175.114 176.600 0.016 0.000 0.936 220 K CA -0.925 55.359 56.287 -0.004 0.000 0.801 220 K CB 1.350 33.853 32.500 0.005 0.000 1.139 220 K HN -0.070 nan 8.250 nan 0.000 0.424 221 D N 2.437 122.845 120.400 0.013 0.000 2.225 221 D HA 0.278 4.917 4.640 -0.000 0.000 0.248 221 D C -0.886 175.418 176.300 0.007 0.000 1.096 221 D CA 0.120 54.131 54.000 0.017 0.000 0.863 221 D CB 1.863 42.675 40.800 0.020 0.000 1.156 221 D HN 0.461 nan 8.370 nan 0.000 0.450 222 T N 1.953 116.499 114.554 -0.013 0.000 2.841 222 T HA 0.280 4.630 4.350 -0.000 0.000 0.283 222 T C 0.089 174.774 174.700 -0.025 0.000 1.000 222 T CA -0.815 61.260 62.100 -0.042 0.000 0.977 222 T CB 1.882 70.654 68.868 -0.160 0.000 0.979 222 T HN 0.098 nan 8.240 nan 0.000 0.446 223 K N 3.074 123.476 120.400 0.003 0.000 2.205 223 K HA 0.546 4.865 4.320 -0.000 0.000 0.279 223 K C -0.974 175.642 176.600 0.028 0.000 1.027 223 K CA -0.416 55.884 56.287 0.022 0.000 0.932 223 K CB 0.500 33.016 32.500 0.027 0.000 1.032 223 K HN 0.542 nan 8.250 nan 0.000 0.466 224 I N 2.028 122.616 120.570 0.030 0.000 2.498 224 I HA 0.078 4.248 4.170 -0.000 0.000 0.290 224 I C -0.476 175.648 176.117 0.011 0.000 1.032 224 I CA -0.584 60.742 61.300 0.044 0.000 1.073 224 I CB 2.150 40.185 38.000 0.058 0.000 1.251 224 I HN 0.461 nan 8.210 nan 0.000 0.426 225 S N 6.182 121.873 115.700 -0.015 0.000 2.461 225 S HA 0.448 4.918 4.470 -0.000 0.000 0.322 225 S C 0.851 175.382 174.600 -0.116 0.000 1.063 225 S CA -0.603 57.548 58.200 -0.080 0.000 1.120 225 S CB 0.529 63.681 63.200 -0.080 0.000 0.968 225 S HN 0.612 nan 8.310 nan 0.000 0.467 226 L N 4.628 125.786 121.223 -0.108 0.000 2.376 226 L HA 0.019 4.359 4.340 -0.000 0.000 0.219 226 L C 2.011 178.717 176.870 -0.273 0.000 1.133 226 L CA 0.744 55.557 54.840 -0.045 0.000 0.816 226 L CB -0.538 41.633 42.059 0.186 0.000 0.933 226 L HN 0.813 nan 8.230 nan 0.000 0.449 227 Y N 1.310 121.017 120.300 -0.987 0.000 2.114 227 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 227 Y C 2.516 178.101 175.900 -0.525 0.000 1.143 227 Y CA 1.550 58.837 58.100 -1.354 0.000 1.135 227 Y CB -0.362 37.201 38.460 -1.495 0.000 0.980 227 Y HN 0.066 nan 8.280 nan 0.000 0.499 228 A N 1.352 123.858 122.820 -0.523 0.000 1.902 228 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 228 A C 1.644 179.036 177.584 -0.320 0.000 1.181 228 A CA 0.978 52.749 52.037 -0.443 0.000 0.623 228 A CB -1.176 17.718 19.000 -0.178 0.000 0.818 228 A HN 0.523 nan 8.150 nan 0.000 0.443 232 K N -0.192 119.993 120.400 -0.359 0.000 2.373 232 K HA 0.349 4.669 4.320 -0.000 0.000 0.200 232 K C 0.729 177.221 176.600 -0.180 0.000 1.054 232 K CA 0.808 56.920 56.287 -0.290 0.000 1.065 232 K CB 1.237 33.499 32.500 -0.398 0.000 0.886 232 K HN 0.345 nan 8.250 nan 0.000 0.546 233 G N 2.912 111.619 108.800 -0.156 0.000 2.198 233 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 233 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 233 G C -0.446 174.391 174.900 -0.105 0.000 1.025 233 G CA 0.478 45.513 45.100 -0.108 0.000 0.769 233 G HN 0.326 nan 8.290 nan 0.000 0.507 234 D N 0.276 120.600 120.400 -0.126 0.000 2.453 234 D HA 0.359 4.999 4.640 -0.000 0.000 0.223 234 D C 1.772 178.014 176.300 -0.098 0.000 1.183 234 D CA -0.625 53.311 54.000 -0.107 0.000 0.933 234 D CB -0.117 40.615 40.800 -0.114 0.000 1.038 234 D HN 0.231 nan 8.370 nan 0.000 0.513 235 L N 2.331 123.499 121.223 -0.091 0.000 2.551 235 L HA -0.052 4.287 4.340 -0.000 0.000 0.228 235 L C 2.082 178.875 176.870 -0.127 0.000 1.153 235 L CA 0.412 55.193 54.840 -0.097 0.000 0.851 235 L CB -0.310 41.697 42.059 -0.086 0.000 0.959 235 L HN 0.333 nan 8.230 nan 0.000 0.451 236 T N -0.577 113.906 114.554 -0.118 0.000 2.897 236 T HA -0.158 4.192 4.350 -0.000 0.000 0.271 236 T C 1.843 176.436 174.700 -0.180 0.000 1.084 236 T CA 1.068 63.083 62.100 -0.142 0.000 1.123 236 T CB -0.075 68.742 68.868 -0.086 0.000 0.865 236 T HN 0.336 nan 8.240 nan 0.000 0.496 237 Q N 0.763 120.495 119.800 -0.113 0.000 2.435 237 Q HA 0.150 4.490 4.340 -0.000 0.000 0.207 237 Q C 0.793 176.770 176.000 -0.038 0.000 0.956 237 Q CA 0.214 55.998 55.803 -0.030 0.000 0.917 237 Q CB -0.256 28.470 28.738 -0.021 0.000 0.997 237 Q HN 0.364 nan 8.270 nan 0.000 0.497 238 N N 0.817 119.416 118.700 -0.169 0.000 2.518 238 N HA 0.123 4.863 4.740 -0.000 0.000 0.283 238 N C -1.264 174.044 175.510 -0.338 0.000 1.119 238 N CA 0.070 53.042 53.050 -0.130 0.000 0.983 238 N CB 0.512 38.934 38.487 -0.108 0.000 1.139 238 N HN -0.006 nan 8.380 nan 0.000 0.465 239 H N 0.213 119.257 119.070 -0.043 0.000 2.961 239 H HA 0.408 4.964 4.556 -0.000 0.000 0.371 239 H C -0.894 174.383 175.328 -0.085 0.000 1.190 239 H CA -0.799 55.222 56.048 -0.045 0.000 1.138 239 H CB 1.260 31.006 29.762 -0.027 0.000 1.816 239 H HN 0.349 nan 8.280 nan 0.000 0.551 240 L N 2.213 123.442 121.223 0.010 0.000 2.397 240 L HA 0.320 4.659 4.340 -0.000 0.000 0.271 240 L C -1.102 175.616 176.870 -0.254 0.000 1.148 240 L CA 0.088 54.828 54.840 -0.167 0.000 0.825 240 L CB 0.117 42.042 42.059 -0.222 0.000 1.117 240 L HN 0.483 nan 8.230 nan 0.000 0.456 241 L N 5.323 126.350 121.223 -0.326 0.000 2.334 241 L HA 0.484 4.824 4.340 -0.000 0.000 0.275 241 L C -1.023 175.608 176.870 -0.399 0.000 1.036 241 L CA -0.614 54.089 54.840 -0.228 0.000 0.807 241 L CB 1.295 43.293 42.059 -0.101 0.000 1.231 241 L HN 0.554 nan 8.230 nan 0.000 0.438 242 Y N -0.806 119.491 120.300 -0.005 0.000 2.633 242 Y HA 0.304 4.854 4.550 -0.000 0.000 0.339 242 Y C 0.254 176.166 175.900 0.019 0.000 1.045 242 Y CA -1.119 57.002 58.100 0.035 0.000 1.098 242 Y CB 1.075 39.554 38.460 0.031 0.000 1.296 242 Y HN 0.509 nan 8.280 nan 0.000 0.494 243 H N 0.209 119.436 119.070 0.262 0.000 3.094 243 H HA 0.214 4.769 4.556 -0.000 0.000 0.320 243 H C 0.932 176.349 175.328 0.149 0.000 1.000 243 H CA 1.096 57.228 56.048 0.140 0.000 1.413 243 H CB 0.282 30.113 29.762 0.115 0.000 1.405 243 H HN 0.934 nan 8.280 nan 0.000 0.586 244 G N 3.166 112.069 108.800 0.173 0.000 2.195 244 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.246 244 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.246 244 G C -0.228 174.802 174.900 0.217 0.000 0.984 244 G CA 0.219 45.452 45.100 0.223 0.000 0.633 244 G HN 0.735 nan 8.290 nan 0.000 0.525 245 D N 0.398 120.897 120.400 0.165 0.000 2.399 245 D HA 0.504 5.144 4.640 -0.000 0.000 0.241 245 D C 0.802 177.239 176.300 0.229 0.000 1.133 245 D CA 0.358 54.477 54.000 0.199 0.000 0.890 245 D CB 0.845 41.761 40.800 0.195 0.000 1.201 245 D HN 0.367 nan 8.370 nan 0.000 0.432 246 I N 1.996 122.698 120.570 0.219 0.000 2.389 246 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 246 I C -0.680 175.549 176.117 0.188 0.000 0.999 246 I CA -0.949 60.495 61.300 0.240 0.000 1.129 246 I CB 1.538 39.656 38.000 0.196 0.000 1.288 246 I HN 0.010 nan 8.210 nan 0.000 0.444 247 L N 7.931 129.266 121.223 0.186 0.000 2.277 247 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 247 L C -1.230 175.764 176.870 0.207 0.000 1.028 247 L CA -0.198 54.734 54.840 0.153 0.000 0.835 247 L CB 0.786 42.901 42.059 0.095 0.000 1.215 247 L HN 0.406 nan 8.230 nan 0.000 0.425 248 F N 6.373 126.358 119.950 0.058 0.000 2.426 248 F HA 0.657 5.184 4.527 -0.000 0.000 0.348 248 F C -0.854 174.979 175.800 0.054 0.000 1.124 248 F CA -0.822 57.211 58.000 0.055 0.000 1.008 248 F CB 0.974 40.002 39.000 0.047 0.000 1.139 248 F HN 0.293 nan 8.300 nan 0.000 0.452 249 I N 9.091 129.212 120.570 -0.748 0.000 2.328 249 I HA 0.362 4.531 4.170 -0.000 0.000 0.287 249 I C -2.128 173.398 176.117 -0.986 0.000 1.012 249 I CA -2.759 58.176 61.300 -0.608 0.000 1.195 249 I CB 0.789 38.634 38.000 -0.258 0.000 1.350 249 I HN 0.393 nan 8.210 nan 0.000 0.464 250 P HA 0.207 nan 4.420 nan 0.000 0.274 250 P C -0.240 176.963 177.300 -0.162 0.000 1.256 250 P CA -0.402 62.443 63.100 -0.425 0.000 0.795 250 P CB 0.824 32.514 31.700 -0.016 0.000 1.038 251 S N 0.251 115.931 115.700 -0.033 0.000 2.686 251 S HA 0.169 4.639 4.470 -0.000 0.000 0.270 251 S C 1.034 175.645 174.600 0.018 0.000 1.194 251 S CA -0.546 57.651 58.200 -0.005 0.000 0.990 251 S CB -0.105 63.108 63.200 0.021 0.000 1.029 251 S HN 0.559 nan 8.310 nan 0.000 0.560 252 N N -0.311 118.393 118.700 0.007 0.000 2.362 252 N HA 0.033 4.773 4.740 -0.000 0.000 0.204 252 N C -0.019 175.488 175.510 -0.005 0.000 1.166 252 N CA 0.060 53.111 53.050 0.002 0.000 0.831 252 N CB -0.472 38.007 38.487 -0.013 0.000 1.008 252 N HN 0.526 nan 8.380 nan 0.000 0.472 253 D N 1.317 121.730 120.400 0.021 0.000 2.221 253 D HA -0.175 4.465 4.640 -0.000 0.000 0.204 253 D C 0.652 176.970 176.300 0.030 0.000 0.982 253 D CA 1.351 55.370 54.000 0.031 0.000 0.857 253 D CB -0.103 40.736 40.800 0.064 0.000 0.934 253 D HN 0.645 nan 8.370 nan 0.000 0.475 254 D N -0.723 119.707 120.400 0.050 0.000 2.340 254 D HA -0.032 4.608 4.640 -0.000 0.000 0.217 254 D C 0.700 176.958 176.300 -0.070 0.000 1.081 254 D CA -0.065 53.983 54.000 0.080 0.000 0.842 254 D CB -0.580 40.340 40.800 0.200 0.000 0.934 254 D HN 0.167 nan 8.370 nan 0.000 0.511 255 L N 0.646 121.802 121.223 -0.112 0.000 2.934 255 L HA 0.193 4.533 4.340 -0.000 0.000 0.233 255 L C 0.329 177.012 176.870 -0.311 0.000 1.358 255 L CA -0.292 54.446 54.840 -0.169 0.000 1.233 255 L CB -0.258 41.749 42.059 -0.087 0.000 1.594 255 L HN -0.171 nan 8.230 nan 0.000 0.439 256 K N 1.167 121.225 120.400 -0.571 0.000 2.298 256 K HA 0.463 4.782 4.320 -0.000 0.000 0.280 256 K C -0.350 175.742 176.600 -0.847 0.000 1.032 256 K CA -0.245 55.594 56.287 -0.747 0.000 0.958 256 K CB 2.544 34.441 32.500 -1.006 0.000 0.978 256 K HN -0.040 nan 8.250 nan 0.000 0.472 257 V N 4.064 123.520 119.914 -0.763 0.000 2.709 257 V HA 0.423 4.543 4.120 -0.000 0.000 0.308 257 V C -1.080 174.609 176.094 -0.675 0.000 1.062 257 V CA -0.922 60.987 62.300 -0.652 0.000 0.901 257 V CB 1.410 33.071 31.823 -0.270 0.000 1.003 257 V HN 0.481 nan 8.190 nan 0.000 0.425 258 F N 3.338 123.305 119.950 0.028 0.000 2.426 258 F HA 0.762 5.289 4.527 -0.000 0.000 0.348 258 F C 0.170 176.016 175.800 0.076 0.000 1.124 258 F CA -0.787 57.244 58.000 0.053 0.000 1.008 258 F CB 1.524 40.568 39.000 0.074 0.000 1.139 258 F HN 0.174 nan 8.300 nan 0.000 0.452 262 E N 0.985 121.101 120.200 -0.139 0.000 2.110 262 E HA 0.455 4.805 4.350 -0.000 0.000 0.300 262 E C 0.383 176.950 176.600 -0.054 0.000 1.278 262 E CA -0.233 56.128 56.400 -0.065 0.000 1.365 262 E CB 0.018 29.684 29.700 -0.057 0.000 1.283 262 E HN 0.757 nan 8.360 nan 0.000 0.490 263 V N -1.595 118.301 119.914 -0.030 0.000 3.103 263 V HA 0.725 4.845 4.120 -0.000 0.000 0.318 263 V C 1.528 177.621 176.094 -0.001 0.000 1.114 263 V CA -0.354 61.936 62.300 -0.016 0.000 1.020 263 V CB 1.325 33.144 31.823 -0.007 0.000 1.085 263 V HN 0.239 nan 8.190 nan 0.000 0.446 264 G N 0.118 108.918 108.800 0.001 0.000 2.446 264 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 264 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 264 G C 0.627 175.534 174.900 0.012 0.000 1.168 264 G CA 1.326 46.429 45.100 0.005 0.000 0.771 264 G HN 0.861 nan 8.290 nan 0.000 0.551 265 K N 0.307 120.717 120.400 0.017 0.000 2.652 265 K HA 0.259 4.579 4.320 -0.000 0.000 0.249 265 K C -0.716 175.905 176.600 0.036 0.000 0.986 265 K CA -0.428 55.874 56.287 0.024 0.000 0.867 265 K CB 1.076 33.589 32.500 0.021 0.000 1.201 265 K HN 0.174 nan 8.250 nan 0.000 0.450 266 Q N 1.785 121.613 119.800 0.046 0.000 2.300 266 Q HA 0.169 4.509 4.340 -0.000 0.000 0.280 266 Q C -0.739 175.304 176.000 0.073 0.000 1.033 266 Q CA 0.395 56.237 55.803 0.067 0.000 0.903 266 Q CB 1.131 29.914 28.738 0.074 0.000 1.195 266 Q HN 0.525 nan 8.270 nan 0.000 0.386 267 S N 0.921 116.678 115.700 0.094 0.000 2.570 267 S HA 0.409 4.878 4.470 -0.000 0.000 0.270 267 S C -0.970 173.714 174.600 0.140 0.000 1.149 267 S CA -0.922 57.333 58.200 0.092 0.000 0.837 267 S CB 2.080 65.314 63.200 0.056 0.000 1.124 267 S HN 0.479 nan 8.310 nan 0.000 0.465 268 T N 2.401 117.036 114.554 0.136 0.000 2.767 268 T HA 0.614 4.964 4.350 -0.000 0.000 0.284 268 T C -0.461 174.249 174.700 0.017 0.000 0.973 268 T CA -0.391 61.795 62.100 0.143 0.000 0.996 268 T CB 0.060 69.053 68.868 0.208 0.000 0.927 268 T HN 0.345 nan 8.240 nan 0.000 0.456 269 L N 2.702 123.879 121.223 -0.078 0.000 2.319 269 L HA 0.662 5.001 4.340 -0.000 0.000 0.267 269 L C 0.298 177.081 176.870 -0.145 0.000 1.011 269 L CA -1.142 53.645 54.840 -0.089 0.000 0.818 269 L CB 1.768 43.777 42.059 -0.083 0.000 1.316 269 L HN 0.408 nan 8.230 nan 0.000 0.432 273 R N -0.353 120.132 120.500 -0.025 0.000 2.235 273 R HA 0.090 4.429 4.340 -0.000 0.000 0.213 273 R C 1.539 177.978 176.300 0.231 0.000 1.059 273 R CA 1.367 57.496 56.100 0.049 0.000 0.997 273 R CB -0.257 29.851 30.300 -0.319 0.000 0.884 273 R HN 0.522 nan 8.270 nan 0.000 0.462 274 S N -0.609 115.144 115.700 0.088 0.000 2.558 274 S HA 0.206 4.676 4.470 -0.000 0.000 0.217 274 S C 0.973 175.560 174.600 -0.022 0.000 0.975 274 S CA 0.034 58.266 58.200 0.054 0.000 0.912 274 S CB 0.315 63.530 63.200 0.025 0.000 0.776 274 S HN 0.483 nan 8.310 nan 0.000 0.526 278 L N 2.007 123.306 121.223 0.127 0.000 1.990 278 L HA 0.153 4.492 4.340 -0.000 0.000 0.213 278 L C 2.909 179.800 176.870 0.035 0.000 1.072 278 L CA 3.126 58.018 54.840 0.087 0.000 0.755 278 L CB -1.418 40.673 42.059 0.054 0.000 0.889 278 L HN 1.016 nan 8.230 nan 0.000 0.432 279 A N -0.635 122.202 122.820 0.028 0.000 1.892 279 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 279 A C 2.349 179.937 177.584 0.006 0.000 1.188 279 A CA 2.157 54.200 52.037 0.010 0.000 0.631 279 A CB -0.942 18.064 19.000 0.009 0.000 0.822 279 A HN 0.703 nan 8.150 nan 0.000 0.447 280 E N -0.207 119.997 120.200 0.008 0.000 2.077 280 E HA -0.112 4.237 4.350 -0.000 0.000 0.193 280 E C 2.127 178.727 176.600 -0.001 0.000 0.989 280 E CA 1.161 57.561 56.400 -0.000 0.000 0.800 280 E CB -0.338 29.359 29.700 -0.005 0.000 0.746 280 E HN 0.521 nan 8.360 nan 0.000 0.452 281 A N 1.286 124.108 122.820 0.004 0.000 1.892 281 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 281 A C 2.245 179.833 177.584 0.008 0.000 1.188 281 A CA 1.651 53.691 52.037 0.004 0.000 0.631 281 A CB -0.832 18.178 19.000 0.016 0.000 0.822 281 A HN 0.354 nan 8.150 nan 0.000 0.447 282 L N -0.920 120.307 121.223 0.007 0.000 2.017 282 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 282 L C 2.881 179.750 176.870 -0.001 0.000 1.073 282 L CA 1.204 56.045 54.840 0.001 0.000 0.745 282 L CB -0.914 41.140 42.059 -0.008 0.000 0.894 282 L HN 0.495 nan 8.230 nan 0.000 0.432 283 G N -0.234 108.564 108.800 -0.002 0.000 2.422 283 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 283 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 283 G C 1.320 176.219 174.900 -0.002 0.000 1.146 283 G CA 0.710 45.808 45.100 -0.003 0.000 0.769 283 G HN 0.328 nan 8.290 nan 0.000 0.547 284 N N 1.043 119.742 118.700 -0.002 0.000 2.381 284 N HA 0.023 4.763 4.740 -0.000 0.000 0.182 284 N C 1.819 177.331 175.510 0.003 0.000 1.025 284 N CA 0.919 53.968 53.050 -0.003 0.000 0.888 284 N CB -0.165 38.317 38.487 -0.008 0.000 0.965 284 N HN 0.320 nan 8.380 nan 0.000 0.438 285 A N 0.254 123.078 122.820 0.007 0.000 2.415 285 A HA 0.170 4.489 4.320 -0.000 0.000 0.248 285 A C 0.121 177.710 177.584 0.008 0.000 1.299 285 A CA -0.196 51.848 52.037 0.013 0.000 0.899 285 A CB -0.354 18.658 19.000 0.020 0.000 0.997 285 A HN 0.256 nan 8.150 nan 0.000 0.506 286 E N -1.694 118.508 120.200 0.004 0.000 2.868 286 E HA -0.168 4.182 4.350 -0.000 0.000 0.278 286 E C 0.616 177.215 176.600 -0.001 0.000 1.009 286 E CA 0.491 56.892 56.400 0.002 0.000 0.856 286 E CB -2.169 27.533 29.700 0.004 0.000 1.428 286 E HN 1.883 nan 8.360 nan 0.000 0.423 287 G N -0.288 108.510 108.800 -0.003 0.000 2.758 287 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.686 287 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.686 287 G C -0.073 174.819 174.900 -0.013 0.000 1.389 287 G CA -0.424 44.671 45.100 -0.008 0.000 0.845 287 G HN 0.236 nan 8.290 nan 0.000 0.572 288 I N 0.871 121.429 120.570 -0.020 0.000 2.683 288 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 288 I C 1.533 177.637 176.117 -0.022 0.000 1.175 288 I CA 0.899 62.181 61.300 -0.029 0.000 1.429 288 I CB 1.020 38.999 38.000 -0.035 0.000 1.371 288 I HN 0.678 nan 8.210 nan 0.000 0.569 289 S N 6.298 121.985 115.700 -0.022 0.000 2.466 289 S HA 0.007 4.477 4.470 -0.000 0.000 0.286 289 S C 1.131 175.724 174.600 -0.012 0.000 1.221 289 S CA -0.571 57.622 58.200 -0.013 0.000 1.091 289 S CB 0.494 63.688 63.200 -0.009 0.000 0.956 289 S HN 0.548 nan 8.310 nan 0.000 0.501 290 Q N 2.966 122.761 119.800 -0.008 0.000 2.167 290 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 290 Q C 0.524 176.523 176.000 -0.003 0.000 0.970 290 Q CA 1.194 56.992 55.803 -0.007 0.000 0.855 290 Q CB -0.277 28.457 28.738 -0.006 0.000 0.911 290 Q HN 0.753 nan 8.270 nan 0.000 0.438 294 D N 1.272 121.672 120.400 0.001 0.000 2.428 294 D HA 0.608 5.247 4.640 -0.000 0.000 0.221 294 D C 1.041 177.333 176.300 -0.014 0.000 1.123 294 D CA -0.143 53.863 54.000 0.009 0.000 0.869 294 D CB 1.252 42.077 40.800 0.042 0.000 1.032 294 D HN 0.774 nan 8.370 nan 0.000 0.506 295 A N 2.798 125.601 122.820 -0.028 0.000 2.206 295 A HA -0.063 4.257 4.320 -0.000 0.000 0.211 295 A C 1.873 179.413 177.584 -0.072 0.000 1.158 295 A CA 1.178 53.185 52.037 -0.051 0.000 0.761 295 A CB -0.451 18.523 19.000 -0.042 0.000 0.801 295 A HN 0.594 nan 8.150 nan 0.000 0.473 296 T N -3.612 110.908 114.554 -0.058 0.000 3.118 296 T HA 0.195 4.545 4.350 -0.000 0.000 0.260 296 T C 1.011 175.616 174.700 -0.158 0.000 1.139 296 T CA 0.903 62.954 62.100 -0.082 0.000 1.085 296 T CB -0.065 68.780 68.868 -0.038 0.000 0.934 296 T HN 0.403 nan 8.240 nan 0.000 0.518 297 G N 1.448 110.167 108.800 -0.135 0.000 4.829 297 G HA2 0.578 4.538 3.960 -0.000 0.000 0.320 297 G HA3 0.578 4.538 3.960 -0.000 0.000 0.320 297 G C -0.395 174.333 174.900 -0.287 0.000 1.445 297 G CA -0.704 44.280 45.100 -0.194 0.000 1.151 297 G HN 0.564 nan 8.290 nan 0.000 0.572 298 I N 1.120 121.394 120.570 -0.493 0.000 2.328 298 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 298 I C -0.804 175.080 176.117 -0.388 0.000 1.012 298 I CA -0.643 60.482 61.300 -0.291 0.000 1.195 298 I CB 1.152 39.036 38.000 -0.193 0.000 1.350 298 I HN 0.063 nan 8.210 nan 0.000 0.464 299 F N 5.161 125.143 119.950 0.054 0.000 2.522 299 F HA 0.597 5.124 4.527 -0.000 0.000 0.324 299 F C -0.054 175.811 175.800 0.107 0.000 1.077 299 F CA -0.945 57.119 58.000 0.106 0.000 0.944 299 F CB 1.992 41.118 39.000 0.210 0.000 1.175 299 F HN -0.027 nan 8.300 nan 0.000 0.468 300 V N 3.457 123.555 119.914 0.306 0.000 2.448 300 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 300 V C -0.722 175.611 176.094 0.399 0.000 1.025 300 V CA -0.827 61.655 62.300 0.303 0.000 0.859 300 V CB 1.778 33.726 31.823 0.208 0.000 0.988 300 V HN 0.498 nan 8.190 nan 0.000 0.431 301 V N 5.818 125.928 119.914 0.327 0.000 2.370 301 V HA 0.580 4.700 4.120 -0.000 0.000 0.283 301 V C 0.028 176.288 176.094 0.277 0.000 1.023 301 V CA -0.627 61.830 62.300 0.262 0.000 0.857 301 V CB 1.508 33.429 31.823 0.164 0.000 0.985 301 V HN 0.881 nan 8.190 nan 0.000 0.443 302 R N 3.832 124.503 120.500 0.284 0.000 2.561 302 R HA 0.428 4.768 4.340 -0.000 0.000 0.297 302 R C -0.259 176.161 176.300 0.199 0.000 0.969 302 R CA -0.600 55.667 56.100 0.278 0.000 0.879 302 R CB 1.655 32.190 30.300 0.392 0.000 1.178 302 R HN 0.843 nan 8.270 nan 0.000 0.445 303 Q N 3.727 123.628 119.800 0.168 0.000 2.330 303 Q HA 0.037 4.377 4.340 -0.000 0.000 0.279 303 Q C -1.248 174.817 176.000 0.110 0.000 1.024 303 Q CA -0.020 55.854 55.803 0.117 0.000 0.900 303 Q CB 0.798 29.593 28.738 0.094 0.000 1.221 303 Q HN 0.490 nan 8.270 nan 0.000 0.396 304 L N 4.470 125.744 121.223 0.086 0.000 2.296 304 L HA 0.441 4.780 4.340 -0.000 0.000 0.286 304 L C -1.162 175.741 176.870 0.054 0.000 1.023 304 L CA 0.015 54.903 54.840 0.079 0.000 0.812 304 L CB 1.440 43.548 42.059 0.082 0.000 1.223 304 L HN 0.596 nan 8.230 nan 0.000 0.421 305 K N 3.537 123.967 120.400 0.049 0.000 2.164 305 K HA 0.627 4.947 4.320 -0.000 0.000 0.258 305 K C 0.624 177.242 176.600 0.030 0.000 0.951 305 K CA -0.178 56.129 56.287 0.033 0.000 0.844 305 K CB 1.495 34.012 32.500 0.028 0.000 1.099 305 K HN 0.839 nan 8.250 nan 0.000 0.435 306 G N 1.991 110.804 108.800 0.021 0.000 2.225 306 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 306 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 306 G C -0.129 174.785 174.900 0.024 0.000 1.024 306 G CA 0.394 45.505 45.100 0.019 0.000 0.784 306 G HN 0.782 nan 8.290 nan 0.000 0.507 307 D N -0.011 120.406 120.400 0.028 0.000 2.425 307 D HA 0.153 4.793 4.640 -0.000 0.000 0.247 307 D C 1.780 178.095 176.300 0.024 0.000 1.147 307 D CA 0.037 54.056 54.000 0.032 0.000 0.879 307 D CB 0.388 41.212 40.800 0.039 0.000 1.179 307 D HN 0.593 nan 8.370 nan 0.000 0.456 308 R N 1.063 121.577 120.500 0.024 0.000 2.317 308 R HA 0.034 4.374 4.340 -0.000 0.000 0.208 308 R C 1.027 177.337 176.300 0.017 0.000 0.914 308 R CA 0.091 56.202 56.100 0.018 0.000 1.060 308 R CB -0.227 30.083 30.300 0.016 0.000 1.015 308 R HN 0.273 nan 8.270 nan 0.000 0.498 309 T N -3.223 111.343 114.554 0.020 0.000 3.214 309 T HA 0.342 4.692 4.350 -0.000 0.000 0.264 309 T C 1.185 175.896 174.700 0.017 0.000 1.012 309 T CA 0.058 62.168 62.100 0.018 0.000 0.901 309 T CB 0.843 69.722 68.868 0.018 0.000 1.070 309 T HN 0.383 nan 8.240 nan 0.000 0.561 310 G N 1.699 110.510 108.800 0.018 0.000 2.179 310 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.260 310 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.260 310 G C 0.107 175.020 174.900 0.022 0.000 0.977 310 G CA -0.178 44.933 45.100 0.018 0.000 0.641 310 G HN 0.576 nan 8.290 nan 0.000 0.533 311 K N 0.590 121.005 120.400 0.025 0.000 2.350 311 K HA 0.438 4.758 4.320 -0.000 0.000 0.279 311 K C 1.620 178.239 176.600 0.032 0.000 1.027 311 K CA 0.233 56.538 56.287 0.030 0.000 0.969 311 K CB 0.973 33.495 32.500 0.036 0.000 0.954 311 K HN 0.657 nan 8.250 nan 0.000 0.474 312 I N -1.799 118.790 120.570 0.032 0.000 4.181 312 I HA 0.330 4.499 4.170 -0.000 0.000 0.331 312 I C 0.358 176.501 176.117 0.044 0.000 1.312 312 I CA -0.254 61.063 61.300 0.028 0.000 1.146 312 I CB 0.754 38.760 38.000 0.009 0.000 1.074 312 I HN 0.315 nan 8.210 nan 0.000 0.402 313 A N 0.488 123.339 122.820 0.053 0.000 2.594 313 A HA 0.654 4.974 4.320 -0.000 0.000 0.295 313 A C -1.866 175.761 177.584 0.071 0.000 1.071 313 A CA -0.586 51.493 52.037 0.070 0.000 0.685 313 A CB 1.253 20.291 19.000 0.064 0.000 1.285 313 A HN 0.104 nan 8.150 nan 0.000 0.405 314 D N 1.042 121.497 120.400 0.091 0.000 2.192 314 D HA 0.600 5.240 4.640 -0.000 0.000 0.246 314 D C -0.703 175.579 176.300 -0.029 0.000 1.042 314 D CA 0.269 54.289 54.000 0.034 0.000 0.847 314 D CB 1.614 42.407 40.800 -0.013 0.000 1.186 314 D HN 0.423 nan 8.370 nan 0.000 0.461 315 I N 2.451 122.977 120.570 -0.073 0.000 2.389 315 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 315 I C -0.835 175.273 176.117 -0.015 0.000 0.999 315 I CA -0.862 60.464 61.300 0.044 0.000 1.129 315 I CB 1.004 39.059 38.000 0.091 0.000 1.288 315 I HN 0.155 nan 8.210 nan 0.000 0.444 316 Y N 4.739 125.195 120.300 0.260 0.000 2.331 316 Y HA 0.411 4.961 4.550 -0.000 0.000 0.338 316 Y C 0.181 176.097 175.900 0.027 0.000 0.976 316 Y CA -0.535 57.645 58.100 0.134 0.000 1.137 316 Y CB 1.224 39.646 38.460 -0.062 0.000 1.172 316 Y HN 0.477 nan 8.280 nan 0.000 0.478 317 Q N 4.015 123.865 119.800 0.082 0.000 2.348 317 Q HA 0.446 4.786 4.340 -0.000 0.000 0.265 317 Q C -1.790 174.070 176.000 -0.233 0.000 0.998 317 Q CA -1.094 54.563 55.803 -0.243 0.000 0.831 317 Q CB 1.151 29.728 28.738 -0.267 0.000 1.251 317 Q HN 0.741 nan 8.270 nan 0.000 0.456 318 L N 4.788 125.823 121.223 -0.314 0.000 2.264 318 L HA 0.395 4.734 4.340 -0.000 0.000 0.289 318 L C -0.814 175.923 176.870 -0.221 0.000 1.044 318 L CA -0.133 54.575 54.840 -0.220 0.000 0.807 318 L CB 1.183 43.120 42.059 -0.203 0.000 1.192 318 L HN 0.592 nan 8.230 nan 0.000 0.425 319 N N 4.485 123.098 118.700 -0.146 0.000 2.439 319 N HA 0.319 5.059 4.740 -0.000 0.000 0.243 319 N C -0.248 175.210 175.510 -0.087 0.000 1.088 319 N CA 0.289 53.269 53.050 -0.116 0.000 0.940 319 N CB 1.222 39.663 38.487 -0.076 0.000 1.180 319 N HN 0.725 nan 8.380 nan 0.000 0.505 320 A N 3.548 126.314 122.820 -0.090 0.000 2.713 320 A HA 0.126 4.446 4.320 -0.000 0.000 0.296 320 A C 1.473 179.028 177.584 -0.049 0.000 1.255 320 A CA -0.344 51.654 52.037 -0.065 0.000 0.955 320 A CB -0.060 18.899 19.000 -0.068 0.000 1.149 320 A HN 0.746 nan 8.150 nan 0.000 0.538 321 Q N 0.367 120.140 119.800 -0.045 0.000 2.135 321 Q HA -0.169 4.170 4.340 -0.000 0.000 0.204 321 Q C 0.313 176.298 176.000 -0.025 0.000 0.981 321 Q CA 1.301 57.085 55.803 -0.032 0.000 0.856 321 Q CB 0.073 28.794 28.738 -0.027 0.000 0.902 321 Q HN 0.677 nan 8.270 nan 0.000 0.425 322 D N -1.277 119.108 120.400 -0.025 0.000 2.316 322 D HA 0.131 4.771 4.640 -0.000 0.000 0.245 322 D C 0.163 176.450 176.300 -0.022 0.000 1.171 322 D CA 0.151 54.139 54.000 -0.020 0.000 0.856 322 D CB 1.457 42.247 40.800 -0.017 0.000 1.090 322 D HN 0.231 nan 8.370 nan 0.000 0.476 323 A N 3.127 125.936 122.820 -0.019 0.000 2.070 323 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 323 A C 2.070 179.644 177.584 -0.017 0.000 1.159 323 A CA 1.608 53.633 52.037 -0.019 0.000 0.656 323 A CB -0.378 18.613 19.000 -0.016 0.000 0.800 323 A HN 0.629 nan 8.150 nan 0.000 0.453 324 S N 0.148 115.840 115.700 -0.014 0.000 2.447 324 S HA 0.279 4.749 4.470 -0.000 0.000 0.233 324 S C 1.257 175.850 174.600 -0.012 0.000 1.006 324 S CA 0.521 58.715 58.200 -0.010 0.000 0.957 324 S CB -0.820 62.375 63.200 -0.007 0.000 0.773 324 S HN 0.914 nan 8.310 nan 0.000 0.507 328 L N 1.249 122.479 121.223 0.012 0.000 2.083 328 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 328 L C 2.456 179.358 176.870 0.053 0.000 1.083 328 L CA 2.153 57.011 54.840 0.031 0.000 0.752 328 L CB -0.856 41.214 42.059 0.019 0.000 0.899 328 L HN 0.541 nan 8.230 nan 0.000 0.433 329 G N -0.444 108.368 108.800 0.021 0.000 2.471 329 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.219 329 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.219 329 G C 1.655 176.593 174.900 0.063 0.000 1.125 329 G CA 1.114 46.233 45.100 0.033 0.000 0.775 329 G HN 0.464 nan 8.290 nan 0.000 0.548 330 T N -1.914 112.664 114.554 0.039 0.000 3.118 330 T HA 0.133 4.483 4.350 -0.000 0.000 0.260 330 T C 1.655 176.375 174.700 0.032 0.000 1.139 330 T CA 1.197 63.315 62.100 0.030 0.000 1.085 330 T CB 0.047 68.924 68.868 0.015 0.000 0.934 330 T HN 0.424 nan 8.240 nan 0.000 0.518 331 E N -0.548 119.684 120.200 0.052 0.000 2.511 331 E HA 0.300 4.650 4.350 -0.000 0.000 0.209 331 E C -0.471 176.150 176.600 0.036 0.000 0.986 331 E CA -0.471 55.948 56.400 0.032 0.000 0.974 331 E CB 0.366 30.084 29.700 0.029 0.000 1.030 331 E HN 0.540 nan 8.360 nan 0.000 0.490 332 F N 3.000 122.909 119.950 -0.069 0.000 2.390 332 F HA 0.175 4.702 4.527 -0.000 0.000 0.361 332 F C 0.007 175.745 175.800 -0.104 0.000 1.124 332 F CA -0.838 57.100 58.000 -0.103 0.000 1.149 332 F CB 0.612 39.546 39.000 -0.110 0.000 1.160 332 F HN -0.243 nan 8.300 nan 0.000 0.501 333 Q N 6.800 126.291 119.800 -0.514 0.000 2.288 333 Q HA 0.294 4.634 4.340 -0.000 0.000 0.258 333 Q C -0.327 175.469 176.000 -0.341 0.000 0.957 333 Q CA -0.206 55.394 55.803 -0.338 0.000 0.919 333 Q CB 1.696 30.242 28.738 -0.320 0.000 1.185 333 Q HN 0.719 nan 8.270 nan 0.000 0.408 334 L N 2.049 123.210 121.223 -0.103 0.000 2.418 334 L HA 0.236 4.576 4.340 -0.000 0.000 0.265 334 L C 0.718 177.541 176.870 -0.077 0.000 1.143 334 L CA -0.278 54.544 54.840 -0.030 0.000 0.809 334 L CB 0.433 42.502 42.059 0.016 0.000 1.124 334 L HN 0.388 nan 8.230 nan 0.000 0.456 335 Q N 1.586 121.366 119.800 -0.034 0.000 2.348 335 Q HA 0.417 4.757 4.340 -0.000 0.000 0.271 335 Q C -2.404 173.587 176.000 -0.014 0.000 1.067 335 Q CA -2.115 53.675 55.803 -0.022 0.000 0.839 335 Q CB 1.722 30.468 28.738 0.013 0.000 1.354 335 Q HN 0.323 nan 8.270 nan 0.000 0.447 336 P HA -0.110 nan 4.420 nan 0.000 0.264 336 P C -1.126 176.202 177.300 0.047 0.000 1.183 336 P CA 0.800 63.845 63.100 -0.091 0.000 0.763 336 P CB 0.072 31.800 31.700 0.047 0.000 0.807 337 Y N -1.032 119.231 120.300 -0.061 0.000 4.936 337 Y HA -0.243 4.307 4.550 -0.000 0.000 0.260 337 Y C 0.677 176.681 175.900 0.174 0.000 0.928 337 Y CA 0.535 58.690 58.100 0.092 0.000 1.869 337 Y CB -2.572 36.017 38.460 0.215 0.000 1.344 337 Y HN 0.362 nan 8.280 nan 0.000 0.521 338 D N 1.161 121.639 120.400 0.130 0.000 2.449 338 D HA 0.319 4.959 4.640 -0.000 0.000 0.236 338 D C 0.449 176.891 176.300 0.237 0.000 1.149 338 D CA 0.566 54.679 54.000 0.188 0.000 0.878 338 D CB 0.510 41.393 40.800 0.139 0.000 1.198 338 D HN 0.229 nan 8.370 nan 0.000 0.446 339 I N 1.603 122.355 120.570 0.304 0.000 2.354 339 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 339 I C -0.310 175.971 176.117 0.272 0.000 0.989 339 I CA -0.863 60.633 61.300 0.327 0.000 1.188 339 I CB 1.694 39.875 38.000 0.302 0.000 1.342 339 I HN -0.075 nan 8.210 nan 0.000 0.457 340 V N 6.879 126.939 119.914 0.242 0.000 2.394 340 V HA 0.309 4.428 4.120 -0.000 0.000 0.282 340 V C -0.939 175.319 176.094 0.274 0.000 1.031 340 V CA -0.660 61.770 62.300 0.218 0.000 0.881 340 V CB 1.236 33.138 31.823 0.131 0.000 0.982 340 V HN 0.513 nan 8.190 nan 0.000 0.451 341 Y N 4.608 125.017 120.300 0.181 0.000 2.406 341 Y HA 0.727 5.277 4.550 -0.000 0.000 0.340 341 Y C -0.860 175.177 175.900 0.227 0.000 0.975 341 Y CA -0.873 57.334 58.100 0.179 0.000 1.056 341 Y CB 2.103 40.653 38.460 0.151 0.000 1.210 341 Y HN 0.371 nan 8.280 nan 0.000 0.448 342 V N 5.630 125.087 119.914 -0.762 0.000 2.409 342 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 342 V C -0.103 175.548 176.094 -0.738 0.000 1.020 342 V CA -0.664 61.335 62.300 -0.502 0.000 0.848 342 V CB 1.622 33.305 31.823 -0.234 0.000 0.990 342 V HN 0.907 nan 8.190 nan 0.000 0.430 343 T N 1.514 115.881 114.554 -0.311 0.000 2.898 343 T HA 0.300 4.650 4.350 -0.000 0.000 0.301 343 T C 0.251 174.939 174.700 -0.019 0.000 1.049 343 T CA -0.363 61.709 62.100 -0.047 0.000 1.095 343 T CB 0.769 69.777 68.868 0.233 0.000 0.976 343 T HN 0.590 nan 8.240 nan 0.000 0.539 344 T N 2.430 117.012 114.554 0.047 0.000 2.889 344 T HA 0.549 4.899 4.350 -0.000 0.000 0.291 344 T C 0.719 175.455 174.700 0.059 0.000 0.995 344 T CA -0.415 61.711 62.100 0.044 0.000 1.092 344 T CB 0.690 69.597 68.868 0.065 0.000 0.954 344 T HN 1.005 nan 8.240 nan 0.000 0.506 345 A N 4.930 127.776 122.820 0.044 0.000 2.567 345 A HA 0.255 4.575 4.320 -0.000 0.000 0.240 345 A C -1.029 176.595 177.584 0.067 0.000 1.053 345 A CA -0.985 51.081 52.037 0.047 0.000 0.755 345 A CB -0.297 18.724 19.000 0.035 0.000 0.978 345 A HN 0.559 nan 8.150 nan 0.000 0.507 346 P HA -0.211 nan 4.420 nan 0.000 0.216 346 P C 1.411 178.780 177.300 0.114 0.000 1.157 346 P CA 1.273 64.421 63.100 0.080 0.000 0.880 346 P CB 0.003 31.730 31.700 0.046 0.000 0.791 347 L N -1.588 119.686 121.223 0.085 0.000 2.141 347 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 347 L C 2.328 179.305 176.870 0.179 0.000 1.094 347 L CA 1.049 55.960 54.840 0.118 0.000 0.763 347 L CB -0.761 41.327 42.059 0.049 0.000 0.908 347 L HN -0.109 nan 8.230 nan 0.000 0.437 348 V N -0.229 119.757 119.914 0.120 0.000 2.358 348 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 348 V C 2.572 178.732 176.094 0.110 0.000 1.047 348 V CA 1.611 63.972 62.300 0.101 0.000 1.035 348 V CB -0.567 31.295 31.823 0.065 0.000 0.658 348 V HN 0.425 nan 8.190 nan 0.000 0.452 349 R N -0.928 119.646 120.500 0.123 0.000 2.096 349 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 349 R C 2.240 178.625 176.300 0.143 0.000 1.127 349 R CA 1.794 57.962 56.100 0.113 0.000 0.968 349 R CB -0.470 29.899 30.300 0.114 0.000 0.861 349 R HN 0.720 nan 8.270 nan 0.000 0.440 350 W N 2.534 123.842 121.300 0.013 0.000 2.333 350 W HA -0.234 4.426 4.660 -0.000 0.000 0.316 350 W C 1.489 178.012 176.519 0.007 0.000 1.215 350 W CA 1.526 58.876 57.345 0.009 0.000 1.278 350 W CB -0.521 28.943 29.460 0.008 0.000 1.154 350 W HN 0.157 nan 8.180 nan 0.000 0.486 351 N N 0.545 119.322 118.700 0.127 0.000 2.309 351 N HA -0.161 4.578 4.740 -0.000 0.000 0.182 351 N C 1.854 177.323 175.510 -0.068 0.000 1.018 351 N CA 0.756 53.805 53.050 -0.002 0.000 0.876 351 N CB -0.198 38.352 38.487 0.106 0.000 0.972 351 N HN 0.227 nan 8.380 nan 0.000 0.434 352 R N 0.014 120.494 120.500 -0.034 0.000 2.148 352 R HA -0.028 4.312 4.340 -0.000 0.000 0.227 352 R C 2.057 178.301 176.300 -0.094 0.000 1.103 352 R CA 0.597 56.672 56.100 -0.043 0.000 0.983 352 R CB 0.136 30.431 30.300 -0.007 0.000 0.874 352 R HN 0.109 nan 8.270 nan 0.000 0.451 353 V N 0.860 120.673 119.914 -0.168 0.000 2.300 353 V HA -0.178 3.942 4.120 -0.000 0.000 0.241 353 V C 2.197 178.131 176.094 -0.266 0.000 1.034 353 V CA 1.216 63.383 62.300 -0.222 0.000 1.021 353 V CB -0.275 31.366 31.823 -0.303 0.000 0.662 353 V HN 0.182 nan 8.190 nan 0.000 0.458 354 I N 1.763 122.089 120.570 -0.406 0.000 2.248 354 I HA -0.230 3.939 4.170 -0.000 0.000 0.248 354 I C 2.654 178.665 176.117 -0.176 0.000 1.107 354 I CA 2.317 63.409 61.300 -0.347 0.000 1.373 354 I CB -1.541 36.200 38.000 -0.432 0.000 1.055 354 I HN 0.544 nan 8.210 nan 0.000 0.418 355 S N 0.273 115.895 115.700 -0.130 0.000 2.474 355 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 355 S C 1.601 176.162 174.600 -0.065 0.000 0.997 355 S CA 0.576 58.731 58.200 -0.074 0.000 0.949 355 S CB -0.235 62.937 63.200 -0.047 0.000 0.766 355 S HN 0.441 nan 8.310 nan 0.000 0.517 356 Q N 0.400 120.152 119.800 -0.081 0.000 2.425 356 Q HA 0.367 4.707 4.340 -0.000 0.000 0.204 356 Q C 1.675 177.636 176.000 -0.064 0.000 0.933 356 Q CA 0.363 56.127 55.803 -0.064 0.000 0.939 356 Q CB -0.130 28.569 28.738 -0.064 0.000 1.044 356 Q HN 0.577 nan 8.270 nan 0.000 0.513 357 L N -0.604 120.571 121.223 -0.079 0.000 2.500 357 L HA 0.025 4.364 4.340 -0.000 0.000 0.219 357 L C 2.115 178.954 176.870 -0.051 0.000 1.057 357 L CA 0.294 55.091 54.840 -0.071 0.000 0.854 357 L CB -0.125 41.875 42.059 -0.098 0.000 1.078 357 L HN 0.006 nan 8.230 nan 0.000 0.480 358 V N -2.252 117.631 119.914 -0.052 0.000 2.427 358 V HA -0.048 4.071 4.120 -0.000 0.000 0.248 358 V C -0.446 175.631 176.094 -0.028 0.000 1.051 358 V CA 0.945 63.222 62.300 -0.038 0.000 1.048 358 V CB -2.183 29.618 31.823 -0.037 0.000 0.666 358 V HN 0.247 nan 8.190 nan 0.000 0.456 359 P HA -0.055 nan 4.420 nan 0.000 0.220 359 P C 1.786 179.082 177.300 -0.007 0.000 1.148 359 P CA 1.887 64.978 63.100 -0.015 0.000 0.803 359 P CB -0.290 31.402 31.700 -0.013 0.000 0.782 360 T N -0.346 114.201 114.554 -0.011 0.000 2.812 360 T HA -0.056 4.293 4.350 -0.000 0.000 0.264 360 T C 1.707 176.410 174.700 0.006 0.000 1.042 360 T CA 0.822 62.919 62.100 -0.004 0.000 1.140 360 T CB -0.607 68.254 68.868 -0.011 0.000 0.870 360 T HN -0.036 nan 8.240 nan 0.000 0.445 361 I N 1.878 122.448 120.570 -0.000 0.000 2.163 361 I HA -0.162 4.007 4.170 -0.000 0.000 0.243 361 I C 2.768 178.905 176.117 0.033 0.000 1.085 361 I CA 1.463 62.770 61.300 0.012 0.000 1.347 361 I CB -1.513 36.484 38.000 -0.005 0.000 1.044 361 I HN 0.302 nan 8.210 nan 0.000 0.408 362 S N 1.017 116.722 115.700 0.008 0.000 2.383 362 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 362 S C 2.192 176.834 174.600 0.070 0.000 1.026 362 S CA 1.395 59.599 58.200 0.007 0.000 0.981 362 S CB -0.635 62.548 63.200 -0.028 0.000 0.818 362 S HN 0.475 nan 8.310 nan 0.000 0.472 363 G N 0.860 109.688 108.800 0.047 0.000 2.418 363 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 363 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 363 G C 1.495 176.429 174.900 0.058 0.000 1.158 363 G CA 1.020 46.149 45.100 0.049 0.000 0.771 363 G HN 0.472 nan 8.290 nan 0.000 0.545 364 V N 0.552 120.499 119.914 0.055 0.000 2.427 364 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 364 V C 2.480 178.609 176.094 0.058 0.000 1.051 364 V CA 1.960 64.286 62.300 0.044 0.000 1.048 364 V CB -0.512 31.330 31.823 0.033 0.000 0.666 364 V HN 0.588 nan 8.190 nan 0.000 0.456 365 H N 0.334 119.399 119.070 -0.009 0.000 2.319 365 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 365 H C 0.847 176.168 175.328 -0.012 0.000 1.092 365 H CA 1.694 57.735 56.048 -0.012 0.000 1.302 365 H CB -0.052 29.706 29.762 -0.008 0.000 1.373 365 H HN 0.386 nan 8.280 nan 0.000 0.497 369 E N 1.418 121.476 120.200 -0.237 0.000 2.110 369 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 369 E C 1.804 178.256 176.600 -0.248 0.000 0.988 369 E CA 1.672 57.880 56.400 -0.320 0.000 0.804 369 E CB -0.107 29.407 29.700 -0.309 0.000 0.745 369 E HN 0.394 nan 8.360 nan 0.000 0.458 370 T N 0.787 115.314 114.554 -0.044 0.000 2.770 370 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 370 T C 2.145 176.883 174.700 0.062 0.000 1.039 370 T CA 0.958 63.119 62.100 0.101 0.000 1.142 370 T CB -0.150 68.769 68.868 0.085 0.000 0.868 370 T HN -0.026 nan 8.240 nan 0.000 0.435 371 V N 1.533 121.446 119.914 -0.001 0.000 2.392 371 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 371 V C 2.564 178.646 176.094 -0.019 0.000 1.059 371 V CA 1.685 63.982 62.300 -0.004 0.000 1.051 371 V CB -0.634 31.177 31.823 -0.020 0.000 0.658 371 V HN 0.344 nan 8.190 nan 0.000 0.455 372 R N -1.203 119.247 120.500 -0.084 0.000 2.075 372 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 372 R C 2.379 178.636 176.300 -0.071 0.000 1.126 372 R CA 1.723 57.750 56.100 -0.121 0.000 0.963 372 R CB -0.307 29.856 30.300 -0.227 0.000 0.858 372 R HN 0.494 nan 8.270 nan 0.000 0.435 373 Y N 0.645 120.931 120.300 -0.023 0.000 2.181 373 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 373 Y C 2.103 177.995 175.900 -0.013 0.000 1.146 373 Y CA 1.206 59.296 58.100 -0.016 0.000 1.164 373 Y CB -0.212 38.239 38.460 -0.015 0.000 0.982 373 Y HN 0.078 nan 8.280 nan 0.000 0.515 374 I N -0.712 119.950 120.570 0.153 0.000 2.286 374 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 374 I C 2.549 178.696 176.117 0.050 0.000 1.104 374 I CA 1.122 62.472 61.300 0.083 0.000 1.397 374 I CB -0.300 37.735 38.000 0.058 0.000 1.072 374 I HN 0.043 nan 8.210 nan 0.000 0.417 375 K N 1.147 121.567 120.400 0.033 0.000 2.103 375 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 375 K C 0.474 177.086 176.600 0.021 0.000 1.052 375 K CA 0.758 57.056 56.287 0.017 0.000 0.945 375 K CB 0.185 32.685 32.500 0.001 0.000 0.722 375 K HN 0.171 nan 8.250 nan 0.000 0.443 376 R N 0.000 120.517 120.500 0.029 0.000 2.786 376 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 376 R CA 0.000 56.122 56.100 0.037 0.000 0.921 376 R CB 0.000 30.324 30.300 0.039 0.000 0.687 376 R HN 0.000 nan 8.270 nan 0.000 0.535