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_F 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 68.867 68.868 -0.001 0.000 0.612 23 I N 1.472 122.041 120.570 -0.002 0.000 2.900 23 I HA 0.334 4.504 4.170 -0.000 0.000 0.251 23 I C 0.390 176.506 176.117 -0.003 0.000 1.102 23 I CA 0.176 61.475 61.300 -0.002 0.000 1.457 23 I CB 0.258 38.256 38.000 -0.003 0.000 1.285 23 I HN 0.486 nan 8.210 nan 0.000 0.459 24 I N 3.002 123.570 120.570 -0.003 0.000 2.371 24 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 24 I C -2.166 173.949 176.117 -0.003 0.000 1.028 24 I CA -1.762 59.536 61.300 -0.004 0.000 1.345 24 I CB 0.151 38.148 38.000 -0.005 0.000 1.407 24 I HN -0.079 nan 8.210 nan 0.000 0.501 25 P HA 0.368 nan 4.420 nan 0.000 0.274 25 P C 0.414 177.713 177.300 -0.002 0.000 1.237 25 P CA 0.263 63.362 63.100 -0.002 0.000 0.793 25 P CB 0.769 32.468 31.700 -0.002 0.000 0.977 26 G N 0.843 109.642 108.800 -0.002 0.000 2.584 26 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.229 26 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.229 26 G C -1.131 173.768 174.900 -0.002 0.000 1.320 26 G CA -0.541 44.559 45.100 -0.001 0.000 0.891 26 G HN 0.648 nan 8.290 nan 0.000 0.573 27 Q N -0.835 118.964 119.800 -0.002 0.000 2.451 27 Q HA 0.639 4.979 4.340 -0.000 0.000 0.281 27 Q C 0.194 176.192 176.000 -0.003 0.000 1.099 27 Q CA -0.371 55.431 55.803 -0.002 0.000 0.806 27 Q CB 2.212 30.949 28.738 -0.001 0.000 1.419 27 Q HN 1.294 nan 8.270 nan 0.000 0.427 28 G N 0.292 109.090 108.800 -0.003 0.000 2.766 28 G HA2 0.803 4.763 3.960 -0.000 0.000 0.288 28 G HA3 0.803 4.763 3.960 -0.000 0.000 0.288 28 G C -1.916 172.982 174.900 -0.004 0.000 1.408 28 G CA -0.517 44.581 45.100 -0.004 0.000 0.852 28 G HN 0.457 nan 8.290 nan 0.000 0.487 29 L N 1.323 122.543 121.223 -0.004 0.000 2.737 29 L HA 0.372 4.712 4.340 -0.000 0.000 0.261 29 L C -1.608 175.259 176.870 -0.004 0.000 0.949 29 L CA -0.858 53.980 54.840 -0.004 0.000 0.952 29 L CB 1.871 43.928 42.059 -0.004 0.000 1.337 29 L HN 0.891 nan 8.230 nan 0.000 0.430 30 N N 0.710 119.408 118.700 -0.004 0.000 2.405 30 N HA 0.449 5.189 4.740 -0.000 0.000 0.285 30 N C -0.169 175.339 175.510 -0.003 0.000 1.262 30 N CA -0.279 52.769 53.050 -0.004 0.000 0.773 30 N CB 1.921 40.405 38.487 -0.004 0.000 1.490 30 N HN 0.226 nan 8.380 nan 0.000 0.486 31 S N -0.223 115.476 115.700 -0.003 0.000 2.572 31 S HA 0.137 4.607 4.470 -0.000 0.000 0.228 31 S C 1.118 175.717 174.600 -0.002 0.000 0.963 31 S CA -0.428 57.771 58.200 -0.002 0.000 0.939 31 S CB -0.505 62.694 63.200 -0.001 0.000 0.804 31 S HN 0.416 nan 8.310 nan 0.000 0.480 32 L N 1.870 123.091 121.223 -0.003 0.000 2.051 32 L HA 0.037 4.377 4.340 -0.000 0.000 0.214 32 L C 2.465 179.333 176.870 -0.003 0.000 1.076 32 L CA 1.830 56.668 54.840 -0.003 0.000 0.758 32 L CB -0.422 41.635 42.059 -0.003 0.000 0.890 32 L HN 0.372 nan 8.230 nan 0.000 0.433 33 R N -1.586 118.912 120.500 -0.002 0.000 2.509 33 R HA 0.155 4.495 4.340 -0.000 0.000 0.300 33 R C 0.047 176.345 176.300 -0.002 0.000 0.985 33 R CA -0.121 55.978 56.100 -0.002 0.000 1.092 33 R CB 0.428 30.727 30.300 -0.002 0.000 1.237 33 R HN 0.223 nan 8.270 nan 0.000 0.546 34 K N 0.805 121.204 120.400 -0.002 0.000 2.087 34 K HA 0.122 4.442 4.320 -0.000 0.000 0.255 34 K C -0.190 176.409 176.600 -0.001 0.000 0.988 34 K CA -0.727 55.559 56.287 -0.002 0.000 0.915 34 K CB 0.792 33.291 32.500 -0.002 0.000 1.043 34 K HN -0.184 nan 8.250 nan 0.000 0.457 35 N N 1.229 119.928 118.700 -0.002 0.000 2.399 35 N HA 0.026 4.766 4.740 -0.000 0.000 0.259 35 N C -1.223 174.287 175.510 -0.001 0.000 1.160 35 N CA -0.146 52.903 53.050 -0.001 0.000 0.946 35 N CB 0.444 38.930 38.487 -0.002 0.000 1.156 35 N HN 0.186 nan 8.380 nan 0.000 0.489 36 V N 4.863 124.777 119.914 0.000 0.000 2.353 36 V HA 0.150 4.270 4.120 -0.000 0.000 0.264 36 V C 0.136 176.231 176.094 0.002 0.000 1.049 36 V CA -0.851 61.450 62.300 0.002 0.000 0.896 36 V CB 0.909 32.733 31.823 0.003 0.000 1.025 36 V HN 0.400 nan 8.190 nan 0.000 0.475 37 V N 5.298 125.213 119.914 0.001 0.000 2.479 37 V HA 0.133 4.253 4.120 -0.000 0.000 0.281 37 V C 0.662 176.759 176.094 0.004 0.000 1.031 37 V CA -0.381 61.920 62.300 0.001 0.000 1.038 37 V CB 0.546 32.368 31.823 -0.002 0.000 0.981 37 V HN 0.748 nan 8.190 nan 0.000 0.478 38 E N 4.987 125.190 120.200 0.004 0.000 2.290 38 E HA 0.404 4.754 4.350 -0.000 0.000 0.277 38 E C -0.475 176.128 176.600 0.006 0.000 1.035 38 E CA -0.036 56.368 56.400 0.007 0.000 0.873 38 E CB 1.374 31.078 29.700 0.007 0.000 1.029 38 E HN 0.500 nan 8.360 nan 0.000 0.419 39 L N 4.072 125.301 121.223 0.009 0.000 2.334 39 L HA 0.318 4.658 4.340 -0.000 0.000 0.270 39 L C -1.378 175.498 176.870 0.010 0.000 1.018 39 L CA -2.129 52.714 54.840 0.004 0.000 0.811 39 L CB 0.964 43.022 42.059 -0.003 0.000 1.271 39 L HN 0.223 nan 8.230 nan 0.000 0.443 40 P HA -0.182 nan 4.420 nan 0.000 0.216 40 P C 0.239 177.552 177.300 0.021 0.000 1.150 40 P CA 1.288 64.394 63.100 0.009 0.000 0.843 40 P CB 0.031 31.733 31.700 0.002 0.000 0.787 41 D N -2.075 118.339 120.400 0.023 0.000 2.615 41 D HA 0.109 4.749 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 -0.200 53.836 54.000 0.060 0.000 0.829 41 D CB -0.509 40.314 40.800 0.038 0.000 1.024 41 D HN -0.097 nan 8.370 nan 0.000 0.490 42 S N 0.912 116.660 115.700 0.079 0.000 2.392 42 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 42 S C 0.875 175.557 174.600 0.136 0.000 1.041 42 S CA 1.927 60.185 58.200 0.097 0.000 1.026 42 S CB -0.269 62.961 63.200 0.050 0.000 0.845 42 S HN 0.696 nan 8.310 nan 0.000 0.465 43 D N -0.008 120.453 120.400 0.102 0.000 2.370 43 D HA 0.093 4.733 4.640 -0.000 0.000 0.230 43 D C 0.355 176.683 176.300 0.046 0.000 1.143 43 D CA -0.544 53.485 54.000 0.048 0.000 0.834 43 D CB -0.789 40.026 40.800 0.026 0.000 0.944 43 D HN 0.651 nan 8.370 nan 0.000 0.504 44 Y N -0.150 120.141 120.300 -0.015 0.000 2.597 44 Y HA 0.246 4.796 4.550 0.000 0.000 0.336 44 Y C -0.038 175.850 175.900 -0.019 0.000 1.216 44 Y CA -0.993 57.097 58.100 -0.016 0.000 1.463 44 Y CB 0.643 39.093 38.460 -0.017 0.000 1.303 44 Y HN -0.185 nan 8.280 nan 0.000 0.576 45 D N 5.218 125.547 120.400 -0.118 0.000 2.454 45 D HA 0.062 4.702 4.640 -0.000 0.000 0.225 45 D C 0.335 176.560 176.300 -0.125 0.000 1.081 45 D CA -0.536 53.343 54.000 -0.201 0.000 0.864 45 D CB 1.153 41.897 40.800 -0.094 0.000 1.040 45 D HN 0.756 nan 8.370 nan 0.000 0.517 46 L N 4.023 125.105 121.223 -0.235 0.000 2.042 46 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 46 L C 1.311 178.170 176.870 -0.018 0.000 1.076 46 L CA 1.919 56.741 54.840 -0.031 0.000 0.749 46 L CB -0.265 41.757 42.059 -0.063 0.000 0.893 46 L HN 0.344 nan 8.230 nan 0.000 0.432 47 D N -0.426 119.937 120.400 -0.062 0.000 2.182 47 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 47 D C 1.874 178.155 176.300 -0.031 0.000 0.986 47 D CA 0.902 54.872 54.000 -0.050 0.000 0.847 47 D CB -0.039 40.725 40.800 -0.059 0.000 0.942 47 D HN 0.255 nan 8.370 nan 0.000 0.467 48 K N 0.042 120.429 120.400 -0.021 0.000 2.459 48 K HA 0.140 4.460 4.320 -0.000 0.000 0.193 48 K C 1.498 178.104 176.600 0.009 0.000 1.030 48 K CA 0.066 56.348 56.287 -0.009 0.000 1.026 48 K CB 0.136 32.632 32.500 -0.006 0.000 0.809 48 K HN 0.259 nan 8.250 nan 0.000 0.504 49 L N 0.554 121.792 121.223 0.025 0.000 2.857 49 L HA 0.181 4.521 4.340 -0.000 0.000 0.249 49 L C 0.044 176.931 176.870 0.029 0.000 1.172 49 L CA -0.361 54.503 54.840 0.041 0.000 0.980 49 L CB 0.676 42.786 42.059 0.085 0.000 1.299 49 L HN -0.215 nan 8.230 nan 0.000 0.535 50 V N -3.966 115.954 119.914 0.009 0.000 2.876 50 V HA 0.596 4.716 4.120 -0.000 0.000 0.312 50 V C -0.780 175.299 176.094 -0.025 0.000 1.085 50 V CA -0.801 61.499 62.300 0.000 0.000 0.945 50 V CB 2.189 34.006 31.823 -0.011 0.000 1.017 50 V HN 0.029 nan 8.190 nan 0.000 0.428 51 N N 1.737 120.421 118.700 -0.027 0.000 2.430 51 N HA 0.632 5.372 4.740 -0.000 0.000 0.292 51 N C -0.920 174.519 175.510 -0.119 0.000 1.051 51 N CA -0.315 52.670 53.050 -0.109 0.000 0.917 51 N CB 2.200 40.602 38.487 -0.140 0.000 1.164 51 N HN 0.681 nan 8.380 nan 0.000 0.484 52 V N 3.001 122.813 119.914 -0.170 0.000 2.370 52 V HA 0.342 4.462 4.120 -0.000 0.000 0.283 52 V C -0.794 175.184 176.094 -0.193 0.000 1.023 52 V CA -0.592 61.657 62.300 -0.085 0.000 0.857 52 V CB 0.035 31.861 31.823 0.005 0.000 0.985 52 V HN 0.491 nan 8.190 nan 0.000 0.443 53 Y N 6.444 126.706 120.300 -0.064 0.000 2.352 53 Y HA 0.522 5.072 4.550 -0.000 0.000 0.339 53 Y C -1.814 174.135 175.900 0.081 0.000 0.992 53 Y CA -2.338 55.772 58.100 0.016 0.000 1.100 53 Y CB 1.944 40.432 38.460 0.046 0.000 1.192 53 Y HN 0.467 nan 8.280 nan 0.000 0.458 57 P HA 0.034 nan 4.420 nan 0.000 0.215 57 P C 1.805 179.132 177.300 0.045 0.000 1.153 57 P CA 1.817 64.941 63.100 0.041 0.000 0.853 57 P CB -0.475 31.242 31.700 0.029 0.000 0.788 58 G N -0.213 108.617 108.800 0.051 0.000 2.422 58 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 58 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 58 G C 1.487 176.424 174.900 0.063 0.000 1.146 58 G CA 0.530 45.662 45.100 0.052 0.000 0.769 58 G HN 0.246 nan 8.290 nan 0.000 0.547 59 L N 0.583 121.859 121.223 0.090 0.000 2.017 59 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 59 L C 2.593 179.500 176.870 0.062 0.000 1.073 59 L CA 1.247 56.148 54.840 0.103 0.000 0.745 59 L CB -0.256 41.906 42.059 0.171 0.000 0.894 59 L HN 0.058 nan 8.230 nan 0.000 0.432 60 I N 0.206 120.819 120.570 0.071 0.000 2.118 60 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 60 I C 2.253 178.366 176.117 -0.007 0.000 1.070 60 I CA 1.564 62.886 61.300 0.037 0.000 1.327 60 I CB -1.587 36.444 38.000 0.051 0.000 1.034 60 I HN 0.353 nan 8.210 nan 0.000 0.405 61 D N 0.160 120.565 120.400 0.007 0.000 2.123 61 D HA -0.225 4.415 4.640 -0.000 0.000 0.196 61 D C 2.196 178.489 176.300 -0.013 0.000 0.992 61 D CA 1.089 55.087 54.000 -0.003 0.000 0.833 61 D CB -0.280 40.525 40.800 0.009 0.000 0.954 61 D HN 0.440 nan 8.370 nan 0.000 0.455 62 Q N -0.153 119.644 119.800 -0.004 0.000 2.084 62 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 62 Q C 2.228 178.201 176.000 -0.045 0.000 0.978 62 Q CA 0.815 56.611 55.803 -0.011 0.000 0.844 62 Q CB -0.032 28.712 28.738 0.010 0.000 0.898 62 Q HN 0.296 nan 8.270 nan 0.000 0.426 63 L N 0.239 121.415 121.223 -0.079 0.000 2.478 63 L HA 0.019 4.359 4.340 -0.000 0.000 0.223 63 L C 1.093 177.873 176.870 -0.150 0.000 1.140 63 L CA 0.018 54.769 54.840 -0.148 0.000 0.842 63 L CB -0.155 41.745 42.059 -0.265 0.000 0.953 63 L HN 0.084 nan 8.230 nan 0.000 0.452 64 R N 1.546 121.982 120.500 -0.106 0.000 2.538 64 R HA 0.052 4.392 4.340 -0.000 0.000 0.282 64 R C -2.014 174.238 176.300 -0.080 0.000 1.009 64 R CA -1.379 54.665 56.100 -0.094 0.000 1.063 64 R CB 0.251 30.516 30.300 -0.058 0.000 0.945 64 R HN -0.093 nan 8.270 nan 0.000 0.414 65 P HA -0.042 nan 4.420 nan 0.000 0.265 65 P C -0.725 176.552 177.300 -0.038 0.000 1.193 65 P CA 0.125 63.186 63.100 -0.064 0.000 0.765 65 P CB 0.482 32.141 31.700 -0.068 0.000 0.823 66 E N 3.647 123.830 120.200 -0.029 0.000 2.502 66 E HA 0.017 4.367 4.350 -0.000 0.000 0.261 66 E C -1.832 174.762 176.600 -0.009 0.000 0.974 66 E CA -0.872 55.517 56.400 -0.018 0.000 0.936 66 E CB -0.316 29.374 29.700 -0.016 0.000 0.926 66 E HN 0.337 nan 8.360 nan 0.000 0.459 67 P HA 0.019 nan 4.420 nan 0.000 0.269 67 P C -0.750 176.548 177.300 -0.002 0.000 1.209 67 P CA -0.172 62.929 63.100 0.002 0.000 0.776 67 P CB 0.500 32.198 31.700 -0.003 0.000 0.876 68 V N 4.329 124.245 119.914 0.004 0.000 2.348 68 V HA 0.260 4.380 4.120 -0.000 0.000 0.270 68 V C 0.646 176.705 176.094 -0.057 0.000 1.037 68 V CA -0.390 61.892 62.300 -0.030 0.000 0.872 68 V CB -0.053 31.744 31.823 -0.044 0.000 1.002 68 V HN 0.394 nan 8.190 nan 0.000 0.464 69 I N 2.073 122.610 120.570 -0.054 0.000 2.793 69 I HA 0.912 5.082 4.170 -0.000 0.000 0.313 69 I C 0.544 176.619 176.117 -0.070 0.000 0.998 69 I CA -0.843 60.424 61.300 -0.055 0.000 1.140 69 I CB 1.497 39.474 38.000 -0.038 0.000 1.327 69 I HN 0.526 nan 8.210 nan 0.000 0.491 70 A N 4.401 127.181 122.820 -0.067 0.000 2.488 70 A HA 0.500 4.820 4.320 -0.000 0.000 0.249 70 A C 0.089 177.638 177.584 -0.058 0.000 1.083 70 A CA -0.197 51.798 52.037 -0.069 0.000 0.768 70 A CB 0.050 19.014 19.000 -0.061 0.000 1.017 70 A HN 0.828 nan 8.150 nan 0.000 0.496 71 R N 1.517 121.979 120.500 -0.063 0.000 2.795 71 R HA 0.572 4.912 4.340 -0.000 0.000 0.275 71 R C -0.606 175.659 176.300 -0.057 0.000 0.981 71 R CA -0.622 55.445 56.100 -0.055 0.000 0.917 71 R CB 2.291 32.558 30.300 -0.055 0.000 1.202 71 R HN 0.692 nan 8.270 nan 0.000 0.469 72 S N 0.541 116.211 115.700 -0.050 0.000 2.687 72 S HA 0.288 4.758 4.470 -0.000 0.000 0.283 72 S C -0.432 174.134 174.600 -0.057 0.000 1.170 72 S CA -0.549 57.620 58.200 -0.051 0.000 1.008 72 S CB 0.797 63.973 63.200 -0.041 0.000 1.026 72 S HN 0.464 nan 8.310 nan 0.000 0.541 73 N N 1.716 120.378 118.700 -0.063 0.000 2.851 73 N HA 0.382 5.122 4.740 -0.000 0.000 0.248 73 N C -2.376 173.102 175.510 -0.053 0.000 1.221 73 N CA -1.998 51.009 53.050 -0.071 0.000 0.847 73 N CB 1.251 39.675 38.487 -0.105 0.000 1.150 73 N HN 0.174 nan 8.380 nan 0.000 0.507 74 P HA -0.046 nan 4.420 nan 0.000 0.219 74 P C 0.924 178.213 177.300 -0.019 0.000 1.150 74 P CA 1.064 64.148 63.100 -0.026 0.000 0.814 74 P CB 0.638 32.327 31.700 -0.020 0.000 0.787 75 Q N -0.733 119.054 119.800 -0.021 0.000 2.084 75 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 75 Q C 2.036 178.031 176.000 -0.008 0.000 0.978 75 Q CA 1.149 56.946 55.803 -0.009 0.000 0.844 75 Q CB -1.314 27.418 28.738 -0.009 0.000 0.898 75 Q HN 0.186 nan 8.270 nan 0.000 0.426 76 L N 0.464 121.667 121.223 -0.033 0.000 2.109 76 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 76 L C 1.119 177.973 176.870 -0.026 0.000 1.086 76 L CA 1.827 56.645 54.840 -0.037 0.000 0.760 76 L CB -0.537 41.472 42.059 -0.082 0.000 0.910 76 L HN 0.085 nan 8.230 nan 0.000 0.437 77 D N -0.222 120.160 120.400 -0.029 0.000 2.178 77 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 77 D C 1.805 178.104 176.300 -0.001 0.000 0.980 77 D CA 0.921 54.907 54.000 -0.022 0.000 0.842 77 D CB -0.155 40.631 40.800 -0.024 0.000 0.948 77 D HN 0.429 nan 8.370 nan 0.000 0.472 78 N N 0.155 118.859 118.700 0.007 0.000 2.270 78 N HA -0.075 4.665 4.740 -0.000 0.000 0.181 78 N C 1.730 177.267 175.510 0.045 0.000 1.016 78 N CA 0.210 53.274 53.050 0.023 0.000 0.870 78 N CB -0.087 38.412 38.487 0.021 0.000 0.979 78 N HN 0.125 nan 8.380 nan 0.000 0.431 79 L N 1.218 122.472 121.223 0.052 0.000 2.141 79 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 79 L C 2.144 179.082 176.870 0.114 0.000 1.094 79 L CA 0.978 55.874 54.840 0.093 0.000 0.763 79 L CB -0.764 41.352 42.059 0.095 0.000 0.908 79 L HN 0.141 nan 8.230 nan 0.000 0.437 80 L N -1.120 120.134 121.223 0.053 0.000 2.217 80 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 80 L C 2.427 179.345 176.870 0.079 0.000 1.107 80 L CA 0.855 55.715 54.840 0.033 0.000 0.783 80 L CB -0.406 41.629 42.059 -0.040 0.000 0.919 80 L HN 0.252 nan 8.230 nan 0.000 0.442 81 K N 0.282 120.719 120.400 0.063 0.000 2.228 81 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 81 K C 1.809 178.456 176.600 0.077 0.000 1.051 81 K CA 1.395 57.715 56.287 0.056 0.000 0.960 81 K CB 0.181 32.702 32.500 0.034 0.000 0.743 81 K HN 0.293 nan 8.250 nan 0.000 0.458 82 S N -0.849 114.908 115.700 0.094 0.000 2.568 82 S HA 0.051 4.521 4.470 -0.000 0.000 0.232 82 S C 0.042 174.703 174.600 0.102 0.000 0.975 82 S CA -0.862 57.387 58.200 0.081 0.000 0.949 82 S CB -0.361 62.875 63.200 0.060 0.000 0.829 82 S HN 0.284 nan 8.310 nan 0.000 0.479 83 Y N 2.906 123.223 120.300 0.029 0.000 2.811 83 Y HA 0.249 4.799 4.550 0.000 0.000 0.334 83 Y C 0.309 176.242 175.900 0.055 0.000 1.247 83 Y CA 0.585 58.706 58.100 0.036 0.000 1.526 83 Y CB 0.252 38.719 38.460 0.011 0.000 1.284 83 Y HN 0.366 nan 8.280 nan 0.000 0.586 84 E N 4.284 124.056 120.200 -0.713 0.000 2.366 84 E HA 0.145 4.495 4.350 -0.000 0.000 0.278 84 E C -2.080 174.193 176.600 -0.546 0.000 0.923 84 E CA -1.089 55.053 56.400 -0.431 0.000 0.761 84 E CB 1.894 31.488 29.700 -0.176 0.000 1.231 84 E HN 0.576 nan 8.360 nan 0.000 0.443 85 Y N 2.331 122.465 120.300 -0.278 0.000 2.320 85 Y HA 0.380 4.930 4.550 0.000 0.000 0.334 85 Y C -0.628 175.258 175.900 -0.023 0.000 1.055 85 Y CA -0.429 57.614 58.100 -0.095 0.000 1.143 85 Y CB 0.757 39.287 38.460 0.116 0.000 1.193 85 Y HN 0.330 nan 8.280 nan 0.000 0.477 86 R N 7.037 127.127 120.500 -0.682 0.000 2.445 86 R HA 0.436 4.776 4.340 -0.000 0.000 0.308 86 R C -0.767 175.066 176.300 -0.778 0.000 0.961 86 R CA -1.004 54.788 56.100 -0.513 0.000 0.862 86 R CB 1.774 31.901 30.300 -0.289 0.000 1.144 86 R HN 0.734 nan 8.270 nan 0.000 0.447 87 I N 1.286 121.637 120.570 -0.365 0.000 2.872 87 I HA 0.055 4.225 4.170 -0.000 0.000 0.291 87 I C 1.121 177.136 176.117 -0.170 0.000 1.216 87 I CA 0.737 61.931 61.300 -0.176 0.000 1.424 87 I CB 0.530 38.517 38.000 -0.021 0.000 1.351 87 I HN 0.694 nan 8.210 nan 0.000 0.592 88 G N 3.869 112.627 108.800 -0.070 0.000 2.658 88 G HA2 0.535 4.495 3.960 -0.000 0.000 0.292 88 G HA3 0.535 4.495 3.960 -0.000 0.000 0.292 88 G C -1.036 173.849 174.900 -0.024 0.000 1.320 88 G CA -0.693 44.370 45.100 -0.061 0.000 0.933 88 G HN 0.358 nan 8.290 nan 0.000 0.476 89 V N 0.944 120.839 119.914 -0.031 0.000 2.584 89 V HA 0.352 4.472 4.120 -0.000 0.000 0.303 89 V C 1.697 177.763 176.094 -0.046 0.000 1.035 89 V CA 2.256 64.542 62.300 -0.023 0.000 1.172 89 V CB 0.375 32.188 31.823 -0.017 0.000 0.896 89 V HN 2.071 nan 8.190 nan 0.000 0.486 90 G N 3.795 112.547 108.800 -0.080 0.000 2.254 90 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.225 90 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.225 90 G C 0.013 174.776 174.900 -0.228 0.000 1.003 90 G CA 0.006 44.993 45.100 -0.189 0.000 0.622 90 G HN 0.667 nan 8.290 nan 0.000 0.507 91 D N 0.453 120.787 120.400 -0.111 0.000 2.419 91 D HA 0.409 5.049 4.640 -0.000 0.000 0.236 91 D C 0.572 176.787 176.300 -0.143 0.000 1.165 91 D CA 0.397 54.330 54.000 -0.111 0.000 0.882 91 D CB 1.474 42.254 40.800 -0.033 0.000 1.201 91 D HN 0.289 nan 8.370 nan 0.000 0.443 92 V N 2.768 122.591 119.914 -0.152 0.000 2.384 92 V HA 0.229 4.349 4.120 -0.000 0.000 0.287 92 V C 0.332 176.392 176.094 -0.057 0.000 1.020 92 V CA -0.794 61.478 62.300 -0.047 0.000 0.850 92 V CB 1.351 33.169 31.823 -0.007 0.000 0.987 92 V HN 0.290 nan 8.190 nan 0.000 0.436 96 T N 4.174 118.661 114.554 -0.112 0.000 2.749 96 T HA 0.626 4.976 4.350 -0.000 0.000 0.287 96 T C -0.259 174.322 174.700 -0.198 0.000 0.970 96 T CA -0.474 61.461 62.100 -0.276 0.000 0.980 96 T CB 1.620 70.130 68.868 -0.597 0.000 0.924 96 T HN 0.444 nan 8.240 nan 0.000 0.456 97 V N 4.248 124.095 119.914 -0.112 0.000 2.326 97 V HA 0.276 4.396 4.120 -0.000 0.000 0.281 97 V C -0.046 176.108 176.094 0.100 0.000 1.015 97 V CA -1.278 61.075 62.300 0.089 0.000 0.823 97 V CB 0.785 32.721 31.823 0.188 0.000 1.009 97 V HN 0.830 nan 8.190 nan 0.000 0.436 98 W N 3.671 125.039 121.300 0.115 0.000 2.223 98 W HA 0.103 4.762 4.660 -0.000 0.000 0.334 98 W C 1.061 177.614 176.519 0.057 0.000 1.334 98 W CA 0.468 57.858 57.345 0.075 0.000 1.246 98 W CB 0.395 29.885 29.460 0.050 0.000 1.184 98 W HN 0.799 nan 8.180 nan 0.000 0.563 99 D N 0.462 120.952 120.400 0.149 0.000 3.028 99 D HA -0.202 4.438 4.640 -0.000 0.000 0.207 99 D C 0.025 176.098 176.300 -0.378 0.000 1.100 99 D CA 1.188 55.135 54.000 -0.090 0.000 0.995 99 D CB -1.229 39.500 40.800 -0.118 0.000 1.108 99 D HN 0.508 nan 8.370 nan 0.000 0.421 100 H N -1.417 117.696 119.070 0.073 0.000 2.380 100 H HA 0.212 4.768 4.556 0.000 0.000 0.231 100 H C -1.870 173.473 175.328 0.026 0.000 1.415 100 H CA -1.117 54.967 56.048 0.060 0.000 1.433 100 H CB 1.409 31.226 29.762 0.090 0.000 1.544 100 H HN 0.021 nan 8.280 nan 0.000 0.503 101 P HA -0.151 nan 4.420 nan 0.000 0.221 101 P C 1.705 179.031 177.300 0.043 0.000 1.150 101 P CA 0.880 63.997 63.100 0.028 0.000 0.800 101 P CB 0.439 32.145 31.700 0.010 0.000 0.787 102 E N 0.398 120.645 120.200 0.077 0.000 2.268 102 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 102 E C 1.648 178.273 176.600 0.043 0.000 0.995 102 E CA 1.094 57.532 56.400 0.063 0.000 0.836 102 E CB -0.946 28.811 29.700 0.094 0.000 0.763 102 E HN 0.290 nan 8.360 nan 0.000 0.491 103 L N 0.485 121.754 121.223 0.076 0.000 2.221 103 L HA 0.022 4.362 4.340 -0.000 0.000 0.202 103 L C 2.534 179.419 176.870 0.026 0.000 1.074 103 L CA 1.202 56.063 54.840 0.035 0.000 0.795 103 L CB -0.352 41.777 42.059 0.118 0.000 0.960 103 L HN 0.067 nan 8.230 nan 0.000 0.458 104 T N -0.831 113.743 114.554 0.034 0.000 2.737 104 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 104 T C 0.991 175.679 174.700 -0.021 0.000 1.038 104 T CA 1.759 63.852 62.100 -0.012 0.000 1.144 104 T CB -0.240 68.579 68.868 -0.081 0.000 0.866 104 T HN 0.369 nan 8.240 nan 0.000 0.434 105 T N -0.175 114.370 114.554 -0.016 0.000 3.504 105 T HA 0.326 4.676 4.350 -0.000 0.000 0.286 105 T C -2.168 172.526 174.700 -0.011 0.000 1.530 105 T CA -1.347 60.745 62.100 -0.014 0.000 1.652 105 T CB 1.348 70.210 68.868 -0.011 0.000 0.895 105 T HN 0.081 nan 8.240 nan 0.000 0.674 106 P HA 0.036 nan 4.420 nan 0.000 0.220 106 P C 1.083 178.370 177.300 -0.023 0.000 1.148 106 P CA 0.667 63.748 63.100 -0.031 0.000 0.803 106 P CB 0.047 31.710 31.700 -0.061 0.000 0.782 107 A N -0.764 122.045 122.820 -0.017 0.000 2.460 107 A HA 0.573 4.893 4.320 -0.000 0.000 0.258 107 A C 0.970 178.562 177.584 0.012 0.000 1.300 107 A CA 0.289 52.321 52.037 -0.008 0.000 0.913 107 A CB -0.727 18.267 19.000 -0.011 0.000 1.031 107 A HN 0.373 nan 8.150 nan 0.000 0.512 108 G N 0.020 108.828 108.800 0.013 0.000 2.728 108 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.294 108 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.294 108 G C 0.235 175.160 174.900 0.042 0.000 1.342 108 G CA 0.081 45.199 45.100 0.030 0.000 0.866 108 G HN 1.005 nan 8.290 nan 0.000 0.534 109 Q N -1.623 118.216 119.800 0.066 0.000 2.319 109 Q HA 0.292 4.632 4.340 -0.000 0.000 0.209 109 Q C 1.684 177.741 176.000 0.094 0.000 0.884 109 Q CA 0.765 56.604 55.803 0.061 0.000 0.938 109 Q CB 0.319 29.089 28.738 0.053 0.000 1.098 109 Q HN 0.694 nan 8.270 nan 0.000 0.517 110 Y N 1.539 121.836 120.300 -0.005 0.000 2.301 110 Y HA 0.267 4.817 4.550 -0.000 0.000 0.295 110 Y C 0.569 176.469 175.900 0.001 0.000 1.119 110 Y CA 0.068 58.167 58.100 -0.002 0.000 1.162 110 Y CB 0.565 39.024 38.460 -0.001 0.000 1.046 110 Y HN -0.095 nan 8.280 nan 0.000 0.538 111 R N 1.071 121.610 120.500 0.066 0.000 2.643 111 R HA 0.164 4.504 4.340 -0.000 0.000 0.270 111 R C 0.597 176.869 176.300 -0.046 0.000 1.061 111 R CA 0.357 56.457 56.100 0.001 0.000 1.107 111 R CB 0.443 30.770 30.300 0.045 0.000 0.999 111 R HN 0.276 nan 8.270 nan 0.000 0.460 112 S N 1.127 116.795 115.700 -0.052 0.000 2.584 112 S HA 0.102 4.572 4.470 -0.000 0.000 0.270 112 S C 1.273 175.865 174.600 -0.013 0.000 1.346 112 S CA -0.212 57.961 58.200 -0.045 0.000 1.018 112 S CB 1.582 64.761 63.200 -0.035 0.000 0.899 112 S HN 0.699 nan 8.310 nan 0.000 0.542 113 A N 2.149 124.960 122.820 -0.015 0.000 1.972 113 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 113 A C 2.459 180.057 177.584 0.023 0.000 1.169 113 A CA 1.838 53.874 52.037 -0.002 0.000 0.635 113 A CB -1.544 17.447 19.000 -0.015 0.000 0.810 113 A HN 1.398 nan 8.150 nan 0.000 0.446 114 S N -0.303 115.411 115.700 0.023 0.000 2.428 114 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 114 S C 1.213 175.879 174.600 0.111 0.000 1.014 114 S CA 1.312 59.543 58.200 0.051 0.000 0.957 114 S CB -0.326 62.890 63.200 0.026 0.000 0.784 114 S HN 0.479 nan 8.310 nan 0.000 0.499 115 D N 1.741 122.189 120.400 0.080 0.000 2.289 115 D HA 0.048 4.688 4.640 -0.000 0.000 0.207 115 D C 1.654 177.997 176.300 0.072 0.000 0.966 115 D CA 1.627 55.682 54.000 0.091 0.000 0.868 115 D CB 0.016 40.847 40.800 0.052 0.000 0.943 115 D HN 0.750 nan 8.370 nan 0.000 0.514 116 T N -3.133 111.453 114.554 0.054 0.000 3.091 116 T HA 0.412 4.762 4.350 -0.000 0.000 0.277 116 T C 0.931 175.652 174.700 0.035 0.000 0.996 116 T CA -0.376 61.738 62.100 0.023 0.000 0.897 116 T CB 0.711 69.583 68.868 0.007 0.000 1.109 116 T HN -0.024 nan 8.240 nan 0.000 0.534 117 G N 1.259 110.110 108.800 0.085 0.000 2.525 117 G HA2 0.451 4.411 3.960 -0.000 0.000 0.287 117 G HA3 0.451 4.411 3.960 -0.000 0.000 0.287 117 G C -0.508 174.485 174.900 0.155 0.000 1.350 117 G CA -0.949 44.212 45.100 0.102 0.000 1.039 117 G HN 0.399 nan 8.290 nan 0.000 0.513 118 N N 0.240 119.042 118.700 0.171 0.000 2.439 118 N HA 0.110 4.850 4.740 -0.000 0.000 0.249 118 N C -0.981 174.718 175.510 0.315 0.000 1.003 118 N CA -0.275 52.897 53.050 0.202 0.000 0.942 118 N CB 1.377 39.972 38.487 0.182 0.000 1.115 118 N HN 0.308 nan 8.380 nan 0.000 0.505 119 W N 1.552 122.870 121.300 0.031 0.000 2.216 119 W HA 0.116 4.776 4.660 -0.000 0.000 0.326 119 W C 0.362 176.899 176.519 0.030 0.000 1.319 119 W CA -0.596 56.763 57.345 0.022 0.000 1.213 119 W CB 0.248 29.720 29.460 0.021 0.000 1.171 119 W HN 0.098 nan 8.180 nan 0.000 0.557 120 V N 5.697 125.720 119.914 0.182 0.000 2.405 120 V HA 0.033 4.153 4.120 -0.000 0.000 0.264 120 V C 0.452 176.619 176.094 0.123 0.000 1.048 120 V CA -0.672 61.697 62.300 0.115 0.000 0.966 120 V CB -0.773 31.075 31.823 0.041 0.000 1.015 120 V HN 0.466 nan 8.190 nan 0.000 0.477 121 N N 2.521 121.308 118.700 0.145 0.000 2.347 121 N HA 0.106 4.846 4.740 -0.000 0.000 0.253 121 N C 1.516 177.075 175.510 0.081 0.000 1.274 121 N CA 0.278 53.411 53.050 0.138 0.000 0.941 121 N CB 0.483 39.051 38.487 0.134 0.000 1.200 121 N HN 0.729 nan 8.380 nan 0.000 0.514 122 S N -0.171 115.572 115.700 0.072 0.000 2.419 122 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 122 S C 1.044 175.664 174.600 0.034 0.000 1.019 122 S CA 1.453 59.680 58.200 0.044 0.000 0.982 122 S CB -0.390 62.835 63.200 0.042 0.000 0.789 122 S HN 0.767 nan 8.310 nan 0.000 0.490 123 D N 0.465 120.890 120.400 0.040 0.000 2.349 123 D HA 0.232 4.872 4.640 -0.000 0.000 0.224 123 D C 1.376 177.692 176.300 0.027 0.000 1.029 123 D CA 0.576 54.595 54.000 0.032 0.000 0.879 123 D CB -0.758 40.063 40.800 0.035 0.000 0.906 123 D HN 0.632 nan 8.370 nan 0.000 0.528 124 G N 0.016 108.833 108.800 0.029 0.000 2.157 124 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 124 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 124 G C 0.387 175.306 174.900 0.030 0.000 0.979 124 G CA 0.574 45.685 45.100 0.019 0.000 0.650 124 G HN 0.837 nan 8.290 nan 0.000 0.529 125 T N -1.192 113.392 114.554 0.051 0.000 2.940 125 T HA 0.784 5.134 4.350 -0.000 0.000 0.288 125 T C 0.458 175.214 174.700 0.094 0.000 1.033 125 T CA -0.408 61.730 62.100 0.063 0.000 1.033 125 T CB 2.510 71.421 68.868 0.070 0.000 1.079 125 T HN 1.302 nan 8.240 nan 0.000 0.496 126 I N -0.944 119.686 120.570 0.099 0.000 2.822 126 I HA 0.797 4.967 4.170 -0.000 0.000 0.312 126 I C -0.789 175.429 176.117 0.169 0.000 1.011 126 I CA -1.505 59.880 61.300 0.143 0.000 1.105 126 I CB 1.439 39.517 38.000 0.131 0.000 1.291 126 I HN 0.639 nan 8.210 nan 0.000 0.474 127 F N 4.020 124.006 119.950 0.059 0.000 2.404 127 F HA 0.514 5.041 4.527 -0.000 0.000 0.345 127 F C -1.369 174.467 175.800 0.060 0.000 1.110 127 F CA -0.435 57.583 58.000 0.029 0.000 1.130 127 F CB 0.868 39.847 39.000 -0.035 0.000 1.129 127 F HN 0.474 nan 8.300 nan 0.000 0.500 128 Y N 7.912 127.592 120.300 -1.034 0.000 2.391 128 Y HA 0.481 5.031 4.550 -0.000 0.000 0.341 128 Y C -2.375 172.815 175.900 -1.183 0.000 0.965 128 Y CA -2.815 54.785 58.100 -0.832 0.000 1.067 128 Y CB 1.607 39.840 38.460 -0.378 0.000 1.199 128 Y HN 0.474 nan 8.280 nan 0.000 0.450 129 P HA -0.055 nan 4.420 nan 0.000 0.265 129 P C -0.663 176.120 177.300 -0.861 0.000 1.187 129 P CA 1.066 63.508 63.100 -1.098 0.000 0.766 129 P CB 0.663 31.649 31.700 -1.190 0.000 0.820 130 Y N -0.034 120.025 120.300 -0.402 0.000 2.802 130 Y HA -0.320 4.230 4.550 -0.000 0.000 0.485 130 Y C 1.889 177.497 175.900 -0.488 0.000 1.190 130 Y CA 1.651 59.365 58.100 -0.643 0.000 2.757 130 Y CB -2.582 35.222 38.460 -1.093 0.000 0.919 130 Y HN 0.466 nan 8.280 nan 0.000 0.540 131 I N -1.564 118.925 120.570 -0.135 0.000 3.427 131 I HA 0.552 4.722 4.170 -0.000 0.000 0.288 131 I C 1.590 177.700 176.117 -0.012 0.000 1.249 131 I CA 0.974 62.301 61.300 0.046 0.000 1.421 131 I CB -0.046 38.026 38.000 0.120 0.000 1.086 131 I HN 0.672 nan 8.210 nan 0.000 0.448 132 G N 2.289 110.981 108.800 -0.180 0.000 2.498 132 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.251 132 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.251 132 G C -0.417 174.436 174.900 -0.078 0.000 1.170 132 G CA -0.109 44.942 45.100 -0.082 0.000 0.944 132 G HN 0.437 nan 8.290 nan 0.000 0.567 133 K N 0.284 120.737 120.400 0.088 0.000 2.349 133 K HA 0.481 4.801 4.320 -0.000 0.000 0.288 133 K C -0.285 176.343 176.600 0.046 0.000 1.058 133 K CA -0.193 56.151 56.287 0.095 0.000 0.953 133 K CB 1.527 34.097 32.500 0.117 0.000 0.997 133 K HN 0.433 nan 8.250 nan 0.000 0.477 134 V N 3.596 123.530 119.914 0.035 0.000 2.409 134 V HA 0.078 4.198 4.120 -0.000 0.000 0.291 134 V C -0.176 175.931 176.094 0.022 0.000 1.020 134 V CA -0.953 61.356 62.300 0.015 0.000 0.848 134 V CB 1.292 33.106 31.823 -0.014 0.000 0.990 134 V HN 0.669 nan 8.190 nan 0.000 0.430 135 Q N 4.246 124.056 119.800 0.017 0.000 2.271 135 Q HA 0.259 4.599 4.340 -0.000 0.000 0.273 135 Q C 0.265 176.267 176.000 0.003 0.000 1.051 135 Q CA 0.576 56.388 55.803 0.014 0.000 0.901 135 Q CB 1.351 30.095 28.738 0.011 0.000 1.174 135 Q HN 0.756 nan 8.270 nan 0.000 0.385 136 V N 1.048 120.964 119.914 0.004 0.000 3.350 136 V HA 0.582 4.702 4.120 -0.000 0.000 0.246 136 V C 0.700 176.783 176.094 -0.019 0.000 1.363 136 V CA 0.187 62.484 62.300 -0.006 0.000 1.162 136 V CB -0.603 31.222 31.823 0.003 0.000 0.947 136 V HN 0.736 nan 8.190 nan 0.000 0.454 137 A N 1.255 124.064 122.820 -0.018 0.000 2.546 137 A HA 0.491 4.811 4.320 -0.000 0.000 0.243 137 A C 1.639 179.190 177.584 -0.054 0.000 1.063 137 A CA 1.022 53.035 52.037 -0.041 0.000 0.757 137 A CB -0.776 18.204 19.000 -0.033 0.000 0.991 137 A HN 2.170 nan 8.150 nan 0.000 0.503 138 G N 1.667 110.414 108.800 -0.088 0.000 2.176 138 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 138 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 138 G C 0.205 175.058 174.900 -0.078 0.000 0.979 138 G CA 0.753 45.801 45.100 -0.087 0.000 0.641 138 G HN 0.851 nan 8.290 nan 0.000 0.530 139 K N 0.975 121.333 120.400 -0.069 0.000 2.156 139 K HA 0.600 4.920 4.320 -0.000 0.000 0.250 139 K C 0.799 177.373 176.600 -0.045 0.000 0.955 139 K CA -0.075 56.184 56.287 -0.047 0.000 0.855 139 K CB 1.454 33.938 32.500 -0.027 0.000 1.101 139 K HN 0.288 nan 8.250 nan 0.000 0.434 140 T N -2.316 112.225 114.554 -0.021 0.000 2.828 140 T HA 0.051 4.401 4.350 -0.000 0.000 0.290 140 T C 1.581 176.302 174.700 0.035 0.000 1.019 140 T CA -0.652 61.457 62.100 0.015 0.000 1.031 140 T CB 0.773 69.654 68.868 0.021 0.000 1.001 140 T HN 0.382 nan 8.240 nan 0.000 0.531 141 V N -0.527 119.431 119.914 0.073 0.000 2.490 141 V HA -0.102 4.018 4.120 -0.000 0.000 0.250 141 V C 2.417 178.533 176.094 0.037 0.000 1.061 141 V CA 1.777 64.112 62.300 0.058 0.000 1.064 141 V CB -1.591 30.280 31.823 0.080 0.000 0.670 141 V HN 0.869 nan 8.190 nan 0.000 0.461 142 S N -0.155 115.569 115.700 0.040 0.000 2.371 142 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 142 S C 2.008 176.617 174.600 0.015 0.000 1.029 142 S CA 1.703 59.921 58.200 0.031 0.000 0.978 142 S CB -0.317 62.903 63.200 0.033 0.000 0.833 142 S HN 0.725 nan 8.310 nan 0.000 0.466 143 Q N 0.503 120.309 119.800 0.010 0.000 2.061 143 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 143 Q C 2.276 178.271 176.000 -0.008 0.000 0.984 143 Q CA 1.578 57.381 55.803 -0.000 0.000 0.846 143 Q CB -0.375 28.360 28.738 -0.005 0.000 0.902 143 Q HN 0.348 nan 8.270 nan 0.000 0.421 144 V N 0.753 120.661 119.914 -0.010 0.000 2.343 144 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 144 V C 2.303 178.372 176.094 -0.042 0.000 1.051 144 V CA 2.089 64.372 62.300 -0.028 0.000 1.036 144 V CB -0.643 31.163 31.823 -0.029 0.000 0.654 144 V HN 0.337 nan 8.190 nan 0.000 0.451 145 R N -0.113 120.373 120.500 -0.023 0.000 2.096 145 R HA -0.272 4.068 4.340 -0.000 0.000 0.240 145 R C 2.453 178.743 176.300 -0.016 0.000 1.139 145 R CA 2.348 58.437 56.100 -0.018 0.000 0.952 145 R CB -0.343 29.968 30.300 0.018 0.000 0.854 145 R HN 0.612 nan 8.270 nan 0.000 0.436 146 Q N -0.038 119.758 119.800 -0.007 0.000 2.084 146 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 146 Q C 1.533 177.526 176.000 -0.013 0.000 0.978 146 Q CA 2.188 57.988 55.803 -0.004 0.000 0.844 146 Q CB -0.116 28.622 28.738 -0.000 0.000 0.898 146 Q HN 0.365 nan 8.270 nan 0.000 0.426 147 D N -0.221 120.166 120.400 -0.021 0.000 2.117 147 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 147 D C 1.731 178.010 176.300 -0.036 0.000 0.987 147 D CA 1.189 55.175 54.000 -0.023 0.000 0.829 147 D CB -0.066 40.719 40.800 -0.024 0.000 0.961 147 D HN 0.323 nan 8.370 nan 0.000 0.460 148 I N -0.080 120.445 120.570 -0.075 0.000 2.252 148 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 148 I C 2.212 178.289 176.117 -0.066 0.000 1.102 148 I CA 1.056 62.279 61.300 -0.127 0.000 1.385 148 I CB -0.451 37.380 38.000 -0.281 0.000 1.064 148 I HN 0.055 nan 8.210 nan 0.000 0.414 149 T N 0.455 114.986 114.554 -0.037 0.000 2.684 149 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 149 T C 2.100 176.809 174.700 0.015 0.000 1.036 149 T CA 2.019 64.121 62.100 0.003 0.000 1.148 149 T CB -0.238 68.639 68.868 0.015 0.000 0.863 149 T HN 0.336 nan 8.240 nan 0.000 0.436 150 S N 1.344 117.049 115.700 0.008 0.000 2.356 150 S HA -0.065 4.405 4.470 -0.000 0.000 0.223 150 S C 2.144 176.758 174.600 0.023 0.000 1.032 150 S CA 0.935 59.142 58.200 0.012 0.000 1.005 150 S CB -0.250 62.953 63.200 0.006 0.000 0.867 150 S HN 0.464 nan 8.310 nan 0.000 0.449 151 R N 0.353 120.873 120.500 0.034 0.000 2.115 151 R HA 0.092 4.432 4.340 -0.000 0.000 0.230 151 R C 1.921 178.310 176.300 0.148 0.000 1.111 151 R CA 0.644 56.789 56.100 0.075 0.000 0.976 151 R CB -0.403 29.941 30.300 0.073 0.000 0.870 151 R HN 0.202 nan 8.270 nan 0.000 0.445 152 L N 0.664 121.968 121.223 0.135 0.000 2.376 152 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 152 L C 1.716 178.674 176.870 0.147 0.000 1.133 152 L CA 1.719 56.683 54.840 0.207 0.000 0.816 152 L CB -0.486 41.652 42.059 0.131 0.000 0.933 152 L HN 0.090 nan 8.230 nan 0.000 0.449 153 T N -1.581 113.010 114.554 0.061 0.000 2.929 153 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 153 T C 1.764 176.430 174.700 -0.056 0.000 1.085 153 T CA 1.580 63.686 62.100 0.010 0.000 1.125 153 T CB -0.319 68.549 68.868 -0.000 0.000 0.874 153 T HN 0.608 nan 8.240 nan 0.000 0.494 154 T N -0.987 113.487 114.554 -0.134 0.000 3.085 154 T HA -0.005 4.345 4.350 -0.000 0.000 0.263 154 T C 1.366 175.724 174.700 -0.569 0.000 1.127 154 T CA 0.619 62.497 62.100 -0.369 0.000 1.103 154 T CB -0.325 68.248 68.868 -0.490 0.000 0.921 154 T HN 0.485 nan 8.240 nan 0.000 0.510 155 Y N 0.622 120.886 120.300 -0.060 0.000 2.589 155 Y HA 0.515 5.065 4.550 -0.000 0.000 0.271 155 Y C 0.625 176.438 175.900 -0.145 0.000 1.107 155 Y CA -1.305 56.713 58.100 -0.136 0.000 1.273 155 Y CB 0.573 38.904 38.460 -0.214 0.000 1.266 155 Y HN 0.366 nan 8.280 nan 0.000 0.504 156 I N -1.407 119.184 120.570 0.035 0.000 2.730 156 I HA 0.429 4.599 4.170 -0.000 0.000 0.298 156 I C -0.709 175.423 176.117 0.026 0.000 1.089 156 I CA -1.081 60.219 61.300 -0.001 0.000 1.041 156 I CB 2.195 40.135 38.000 -0.099 0.000 1.235 156 I HN -0.078 nan 8.210 nan 0.000 0.423 157 E N 3.903 124.130 120.200 0.045 0.000 2.289 157 E HA 0.207 4.557 4.350 -0.000 0.000 0.278 157 E C 0.022 176.659 176.600 0.062 0.000 1.032 157 E CA -0.045 56.379 56.400 0.040 0.000 0.854 157 E CB 0.798 30.518 29.700 0.035 0.000 1.046 157 E HN 0.886 nan 8.360 nan 0.000 0.409 158 S N 4.024 119.752 115.700 0.045 0.000 3.524 158 S HA -0.098 4.372 4.470 -0.000 0.000 0.377 158 S C -2.372 172.278 174.600 0.083 0.000 0.949 158 S CA -0.150 58.081 58.200 0.051 0.000 1.264 158 S CB -0.706 62.519 63.200 0.042 0.000 0.918 158 S HN 0.450 nan 8.310 nan 0.000 0.517 159 P HA 0.187 nan 4.420 nan 0.000 0.267 159 P C -0.604 176.777 177.300 0.136 0.000 1.205 159 P CA 0.137 63.311 63.100 0.122 0.000 0.765 159 P CB 0.520 32.273 31.700 0.089 0.000 0.828 160 Q N 2.320 122.245 119.800 0.209 0.000 2.431 160 Q HA 0.402 4.742 4.340 -0.000 0.000 0.249 160 Q C -0.463 175.783 176.000 0.410 0.000 1.025 160 Q CA -0.604 55.342 55.803 0.238 0.000 0.835 160 Q CB 1.522 30.376 28.738 0.193 0.000 1.207 160 Q HN 0.221 nan 8.270 nan 0.000 0.490 161 V N 1.914 122.009 119.914 0.300 0.000 2.604 161 V HA 0.459 4.579 4.120 -0.000 0.000 0.305 161 V C -0.426 175.846 176.094 0.295 0.000 1.043 161 V CA -0.781 61.673 62.300 0.257 0.000 0.888 161 V CB 2.402 34.276 31.823 0.086 0.000 0.995 161 V HN 0.530 nan 8.190 nan 0.000 0.429 162 D N 1.830 122.391 120.400 0.269 0.000 2.419 162 D HA 0.755 5.395 4.640 -0.000 0.000 0.234 162 D C -1.339 174.994 176.300 0.055 0.000 1.014 162 D CA -0.206 53.916 54.000 0.204 0.000 0.919 162 D CB 2.473 43.471 40.800 0.331 0.000 1.366 162 D HN 0.285 nan 8.370 nan 0.000 0.490 163 V N 1.624 121.566 119.914 0.045 0.000 2.686 163 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 163 V C -0.242 175.865 176.094 0.022 0.000 1.065 163 V CA -0.587 61.716 62.300 0.005 0.000 0.894 163 V CB 1.547 33.360 31.823 -0.016 0.000 1.004 163 V HN 0.762 nan 8.190 nan 0.000 0.424 164 S N 4.328 120.028 115.700 -0.001 0.000 2.720 164 S HA 0.734 5.204 4.470 -0.000 0.000 0.287 164 S C -1.169 173.384 174.600 -0.079 0.000 1.168 164 S CA -0.946 57.251 58.200 -0.006 0.000 0.832 164 S CB 1.963 65.172 63.200 0.016 0.000 1.166 164 S HN 0.392 nan 8.310 nan 0.000 0.493 165 I N 1.793 122.253 120.570 -0.183 0.000 2.304 165 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 165 I C 1.278 177.170 176.117 -0.375 0.000 1.018 165 I CA -0.527 60.513 61.300 -0.434 0.000 1.260 165 I CB 0.595 37.918 38.000 -1.127 0.000 1.390 165 I HN 0.982 nan 8.210 nan 0.000 0.475 166 A N 5.492 128.171 122.820 -0.235 0.000 2.016 166 A HA 0.456 4.776 4.320 -0.000 0.000 0.217 166 A C 1.042 178.538 177.584 -0.146 0.000 1.162 166 A CA 0.871 52.828 52.037 -0.134 0.000 0.662 166 A CB 0.168 19.136 19.000 -0.053 0.000 0.812 166 A HN 0.776 nan 8.150 nan 0.000 0.450 167 A N -0.999 121.677 122.820 -0.241 0.000 2.429 167 A HA 0.624 4.944 4.320 -0.000 0.000 0.289 167 A C -1.234 176.201 177.584 -0.250 0.000 1.043 167 A CA -0.512 51.430 52.037 -0.160 0.000 0.722 167 A CB 0.372 19.320 19.000 -0.086 0.000 1.243 167 A HN 0.177 nan 8.150 nan 0.000 0.415 168 F N 2.195 122.096 119.950 -0.081 0.000 2.377 168 F HA 0.399 4.926 4.527 -0.000 0.000 0.360 168 F C 1.449 177.222 175.800 -0.044 0.000 1.147 168 F CA 0.126 58.077 58.000 -0.081 0.000 1.170 168 F CB 1.025 39.922 39.000 -0.170 0.000 1.339 168 F HN 0.725 nan 8.300 nan 0.000 0.552 169 R N -0.023 120.524 120.500 0.078 0.000 2.419 169 R HA 0.017 4.357 4.340 -0.000 0.000 0.235 169 R C 1.993 178.311 176.300 0.031 0.000 0.899 169 R CA 0.720 56.829 56.100 0.015 0.000 1.048 169 R CB 0.417 30.657 30.300 -0.099 0.000 1.182 169 R HN 0.581 nan 8.270 nan 0.000 0.544 170 S N 0.239 115.986 115.700 0.079 0.000 2.414 170 S HA -0.006 4.464 4.470 -0.000 0.000 0.227 170 S C 0.761 175.406 174.600 0.074 0.000 1.022 170 S CA 0.348 58.582 58.200 0.056 0.000 0.958 170 S CB 0.153 63.384 63.200 0.052 0.000 0.797 170 S HN 0.146 nan 8.310 nan 0.000 0.493 171 Q N 1.154 121.045 119.800 0.152 0.000 2.337 171 Q HA 0.620 4.960 4.340 -0.000 0.000 0.270 171 Q C -1.024 175.049 176.000 0.121 0.000 1.043 171 Q CA -0.670 55.233 55.803 0.166 0.000 0.794 171 Q CB 2.297 31.186 28.738 0.252 0.000 1.281 171 Q HN 0.490 nan 8.270 nan 0.000 0.446 172 K N -0.418 120.010 120.400 0.046 0.000 2.575 172 K HA 0.690 5.010 4.320 -0.000 0.000 0.279 172 K C -1.574 174.882 176.600 -0.239 0.000 0.969 172 K CA -0.754 55.470 56.287 -0.105 0.000 0.868 172 K CB 1.474 33.864 32.500 -0.184 0.000 1.457 172 K HN 0.339 nan 8.250 nan 0.000 0.426 173 V N 1.456 121.193 119.914 -0.295 0.000 2.815 173 V HA 0.419 4.539 4.120 -0.000 0.000 0.314 173 V C -1.401 174.428 176.094 -0.442 0.000 1.064 173 V CA -0.810 61.317 62.300 -0.288 0.000 0.952 173 V CB 1.401 33.172 31.823 -0.087 0.000 1.020 173 V HN 0.661 nan 8.190 nan 0.000 0.439 174 Y N 2.008 122.351 120.300 0.072 0.000 2.353 174 Y HA 0.565 5.115 4.550 -0.000 0.000 0.340 174 Y C 0.035 175.981 175.900 0.076 0.000 0.972 174 Y CA -0.850 57.291 58.100 0.069 0.000 1.157 174 Y CB 1.465 39.967 38.460 0.071 0.000 1.157 174 Y HN 0.280 nan 8.280 nan 0.000 0.495 175 V N 4.446 124.463 119.914 0.171 0.000 2.313 175 V HA 0.512 4.632 4.120 -0.000 0.000 0.278 175 V C -0.222 175.956 176.094 0.140 0.000 1.017 175 V CA -0.432 61.944 62.300 0.126 0.000 0.823 175 V CB 0.768 32.628 31.823 0.061 0.000 1.010 175 V HN 0.890 nan 8.190 nan 0.000 0.443 176 T N 2.158 116.818 114.554 0.176 0.000 2.896 176 T HA 0.910 5.260 4.350 -0.000 0.000 0.297 176 T C 0.396 175.193 174.700 0.162 0.000 1.108 176 T CA 0.133 62.354 62.100 0.202 0.000 1.004 176 T CB 2.024 71.053 68.868 0.268 0.000 1.159 176 T HN 1.273 nan 8.240 nan 0.000 0.499 177 G N 1.348 110.229 108.800 0.136 0.000 2.516 177 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 177 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 177 G C -1.008 173.852 174.900 -0.068 0.000 1.165 177 G CA -0.669 44.416 45.100 -0.025 0.000 1.013 177 G HN 0.644 nan 8.290 nan 0.000 0.590 178 E N 1.509 121.614 120.200 -0.159 0.000 2.325 178 E HA 0.387 4.737 4.350 -0.000 0.000 0.295 178 E C 0.854 177.414 176.600 -0.068 0.000 1.461 178 E CA 0.353 56.699 56.400 -0.091 0.000 1.698 178 E CB 0.152 29.793 29.700 -0.098 0.000 1.496 178 E HN 1.074 nan 8.360 nan 0.000 0.474 179 V N -2.913 116.975 119.914 -0.042 0.000 2.975 179 V HA 0.679 4.798 4.120 -0.000 0.000 0.318 179 V C 1.381 177.465 176.094 -0.016 0.000 1.077 179 V CA -0.435 61.850 62.300 -0.025 0.000 1.000 179 V CB 1.649 33.466 31.823 -0.010 0.000 1.066 179 V HN 0.153 nan 8.190 nan 0.000 0.452 180 A N 2.043 124.853 122.820 -0.017 0.000 1.902 180 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 180 A C 0.947 178.529 177.584 -0.003 0.000 1.181 180 A CA 1.766 53.795 52.037 -0.014 0.000 0.623 180 A CB -0.935 18.055 19.000 -0.017 0.000 0.818 180 A HN 0.989 nan 8.150 nan 0.000 0.443 181 N N -0.159 118.542 118.700 0.002 0.000 2.623 181 N HA 0.379 5.119 4.740 -0.000 0.000 0.256 181 N C -1.188 174.336 175.510 0.022 0.000 1.045 181 N CA -0.145 52.911 53.050 0.011 0.000 0.863 181 N CB 1.796 40.287 38.487 0.007 0.000 1.182 181 N HN 0.118 nan 8.380 nan 0.000 0.523 182 S N 0.997 116.718 115.700 0.034 0.000 2.572 182 S HA 0.725 5.195 4.470 -0.000 0.000 0.279 182 S C 0.786 175.424 174.600 0.063 0.000 1.341 182 S CA -0.169 58.065 58.200 0.057 0.000 1.043 182 S CB 1.003 64.246 63.200 0.073 0.000 0.887 182 S HN 0.739 nan 8.310 nan 0.000 0.516 183 G N 1.246 110.097 108.800 0.085 0.000 2.336 183 G HA2 0.251 4.211 3.960 -0.000 0.000 0.300 183 G HA3 0.251 4.211 3.960 -0.000 0.000 0.300 183 G C -1.897 173.060 174.900 0.095 0.000 1.375 183 G CA -1.193 43.962 45.100 0.091 0.000 0.885 183 G HN 0.552 nan 8.290 nan 0.000 0.599 184 K N 0.247 120.701 120.400 0.090 0.000 2.355 184 K HA 0.409 4.729 4.320 -0.000 0.000 0.270 184 K C 0.069 176.647 176.600 -0.036 0.000 1.003 184 K CA 0.337 56.624 56.287 -0.001 0.000 0.957 184 K CB 0.581 33.080 32.500 -0.002 0.000 0.939 184 K HN 0.480 nan 8.250 nan 0.000 0.482 185 Q N 0.949 120.696 119.800 -0.088 0.000 2.321 185 Q HA 0.401 4.741 4.340 -0.000 0.000 0.270 185 Q C -1.039 174.905 176.000 -0.093 0.000 1.032 185 Q CA -0.881 54.877 55.803 -0.074 0.000 0.784 185 Q CB 2.226 30.925 28.738 -0.064 0.000 1.264 185 Q HN 0.722 nan 8.270 nan 0.000 0.448 186 A N 3.371 126.144 122.820 -0.078 0.000 2.462 186 A HA 0.252 4.572 4.320 -0.000 0.000 0.243 186 A C 0.043 177.567 177.584 -0.101 0.000 1.076 186 A CA -0.246 51.752 52.037 -0.066 0.000 0.773 186 A CB 0.200 19.171 19.000 -0.048 0.000 1.010 186 A HN 0.608 nan 8.150 nan 0.000 0.493 187 I N 2.759 123.320 120.570 -0.014 0.000 2.441 187 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 187 I C 1.125 177.152 176.117 -0.150 0.000 1.049 187 I CA 0.695 62.014 61.300 0.031 0.000 1.381 187 I CB 0.201 38.340 38.000 0.232 0.000 1.409 187 I HN 0.909 nan 8.210 nan 0.000 0.523 188 T N 2.370 116.695 114.554 -0.382 0.000 2.626 188 T HA 0.260 4.610 4.350 -0.000 0.000 0.279 188 T C 0.954 175.383 174.700 -0.453 0.000 0.983 188 T CA -0.715 60.680 62.100 -1.176 0.000 1.059 188 T CB 1.214 69.176 68.868 -1.511 0.000 1.396 188 T HN 0.543 nan 8.240 nan 0.000 0.519 189 N N -0.154 118.285 118.700 -0.435 0.000 2.512 189 N HA 0.025 4.765 4.740 -0.000 0.000 0.183 189 N C 0.033 175.640 175.510 0.161 0.000 1.073 189 N CA 0.290 53.407 53.050 0.111 0.000 0.911 189 N CB -0.538 38.042 38.487 0.156 0.000 0.964 189 N HN 0.570 nan 8.380 nan 0.000 0.447 190 I N 1.982 122.498 120.570 -0.090 0.000 2.336 190 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 190 I C -2.187 173.694 176.117 -0.392 0.000 0.991 190 I CA -2.531 58.661 61.300 -0.181 0.000 1.227 190 I CB 1.619 39.510 38.000 -0.182 0.000 1.366 190 I HN -0.165 nan 8.210 nan 0.000 0.466 191 P HA 0.022 nan 4.420 nan 0.000 0.264 191 P C -0.842 176.161 177.300 -0.496 0.000 1.183 191 P CA -0.188 62.287 63.100 -1.042 0.000 0.763 191 P CB 0.457 31.627 31.700 -0.883 0.000 0.807 192 L N 4.226 125.211 121.223 -0.397 0.000 2.318 192 L HA 0.399 4.739 4.340 -0.000 0.000 0.277 192 L C 0.307 177.049 176.870 -0.213 0.000 1.008 192 L CA -0.010 54.683 54.840 -0.244 0.000 0.846 192 L CB 0.667 42.618 42.059 -0.180 0.000 1.220 192 L HN 0.430 nan 8.230 nan 0.000 0.423 193 T N 1.424 115.876 114.554 -0.171 0.000 2.897 193 T HA 0.637 4.987 4.350 -0.000 0.000 0.278 193 T C 0.709 175.369 174.700 -0.067 0.000 0.981 193 T CA -0.733 61.295 62.100 -0.119 0.000 0.973 193 T CB 1.067 69.871 68.868 -0.108 0.000 1.092 193 T HN 0.266 nan 8.240 nan 0.000 0.543 197 A N 1.894 124.685 122.820 -0.047 0.000 1.873 197 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 197 A C 2.115 179.690 177.584 -0.016 0.000 1.186 197 A CA 1.084 53.101 52.037 -0.033 0.000 0.616 197 A CB -0.449 18.536 19.000 -0.024 0.000 0.823 197 A HN 0.172 nan 8.150 nan 0.000 0.442 198 I N 1.057 121.624 120.570 -0.006 0.000 2.163 198 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 198 I C 2.060 178.174 176.117 -0.004 0.000 1.085 198 I CA 1.411 62.713 61.300 0.004 0.000 1.347 198 I CB -1.721 36.291 38.000 0.020 0.000 1.044 198 I HN 0.399 nan 8.210 nan 0.000 0.408 199 N N 0.917 119.610 118.700 -0.012 0.000 2.188 199 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 199 N C 1.878 177.375 175.510 -0.022 0.000 1.018 199 N CA 1.465 54.505 53.050 -0.017 0.000 0.858 199 N CB 0.034 38.507 38.487 -0.022 0.000 0.989 199 N HN 0.336 nan 8.380 nan 0.000 0.426 200 A N 1.144 123.947 122.820 -0.028 0.000 2.019 200 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 200 A C 2.125 179.697 177.584 -0.020 0.000 1.164 200 A CA 1.492 53.511 52.037 -0.030 0.000 0.644 200 A CB -0.380 18.595 19.000 -0.042 0.000 0.805 200 A HN 0.312 nan 8.150 nan 0.000 0.449 201 A N -1.539 121.273 122.820 -0.013 0.000 2.235 201 A HA 0.405 4.725 4.320 -0.000 0.000 0.208 201 A C 1.715 179.294 177.584 -0.008 0.000 1.172 201 A CA 1.113 53.147 52.037 -0.006 0.000 0.786 201 A CB -1.074 17.927 19.000 0.002 0.000 0.804 201 A HN 1.866 nan 8.150 nan 0.000 0.479 202 G N -2.169 106.623 108.800 -0.013 0.000 2.147 202 G HA2 0.209 4.169 3.960 -0.000 0.000 0.244 202 G HA3 0.209 4.169 3.960 -0.000 0.000 0.244 202 G C 1.388 176.278 174.900 -0.018 0.000 1.005 202 G CA 0.555 45.646 45.100 -0.015 0.000 0.713 202 G HN 2.371 nan 8.290 nan 0.000 0.515 203 G N -1.517 107.274 108.800 -0.015 0.000 2.681 203 G HA2 0.032 3.992 3.960 -0.000 0.000 0.220 203 G HA3 0.032 3.992 3.960 -0.000 0.000 0.220 203 G C -0.038 174.848 174.900 -0.022 0.000 1.353 203 G CA -0.268 44.822 45.100 -0.017 0.000 0.872 203 G HN 1.245 nan 8.290 nan 0.000 0.557 204 L N 0.638 121.840 121.223 -0.036 0.000 2.357 204 L HA 0.652 4.992 4.340 -0.000 0.000 0.273 204 L C 1.333 178.162 176.870 -0.068 0.000 1.080 204 L CA -0.371 54.439 54.840 -0.050 0.000 0.803 204 L CB 1.273 43.291 42.059 -0.068 0.000 1.174 204 L HN 1.156 nan 8.230 nan 0.000 0.443 205 A N 1.572 124.354 122.820 -0.062 0.000 2.313 205 A HA 0.497 4.817 4.320 -0.000 0.000 0.261 205 A C 1.157 178.689 177.584 -0.087 0.000 1.090 205 A CA 0.354 52.354 52.037 -0.062 0.000 0.807 205 A CB 0.585 19.557 19.000 -0.046 0.000 1.055 205 A HN 0.939 nan 8.150 nan 0.000 0.492 206 A N 0.487 123.259 122.820 -0.080 0.000 1.978 206 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 206 A C 1.322 178.849 177.584 -0.096 0.000 1.170 206 A CA 2.026 54.005 52.037 -0.097 0.000 0.636 206 A CB -0.499 18.457 19.000 -0.074 0.000 0.810 206 A HN 0.885 nan 8.150 nan 0.000 0.448 207 D N -0.283 120.076 120.400 -0.068 0.000 2.358 207 D HA 0.379 5.019 4.640 -0.000 0.000 0.224 207 D C 0.423 176.693 176.300 -0.050 0.000 1.123 207 D CA 0.346 54.314 54.000 -0.054 0.000 0.833 207 D CB -0.605 40.176 40.800 -0.031 0.000 0.946 207 D HN 0.338 nan 8.370 nan 0.000 0.505 208 A N 0.721 123.499 122.820 -0.068 0.000 2.488 208 A HA 0.175 4.495 4.320 -0.000 0.000 0.249 208 A C 0.090 177.682 177.584 0.015 0.000 1.083 208 A CA -0.315 51.694 52.037 -0.046 0.000 0.768 208 A CB 0.255 19.226 19.000 -0.048 0.000 1.017 208 A HN 0.118 nan 8.150 nan 0.000 0.496 209 D N 3.807 124.232 120.400 0.042 0.000 2.483 209 D HA 0.104 4.744 4.640 -0.000 0.000 0.220 209 D C 0.996 177.423 176.300 0.211 0.000 1.173 209 D CA -0.589 53.487 54.000 0.126 0.000 0.964 209 D CB -0.014 40.826 40.800 0.067 0.000 1.046 209 D HN 0.590 nan 8.370 nan 0.000 0.517 210 W N 3.860 125.140 121.300 -0.034 0.000 2.937 210 W HA 0.078 4.738 4.660 0.000 0.000 0.245 210 W C 0.457 176.987 176.519 0.018 0.000 1.306 210 W CA -0.248 57.089 57.345 -0.013 0.000 1.470 210 W CB -0.846 28.618 29.460 0.008 0.000 1.132 210 W HN 0.292 nan 8.180 nan 0.000 0.675 211 R N 0.674 121.142 120.500 -0.053 0.000 2.300 211 R HA 0.087 4.427 4.340 -0.000 0.000 0.199 211 R C 0.323 176.588 176.300 -0.057 0.000 0.920 211 R CA 0.296 56.286 56.100 -0.184 0.000 1.046 211 R CB -0.099 30.070 30.300 -0.218 0.000 0.984 211 R HN 0.023 nan 8.270 nan 0.000 0.493 212 N N 0.643 119.346 118.700 0.004 0.000 2.610 212 N HA 0.115 4.855 4.740 -0.000 0.000 0.307 212 N C -0.924 174.607 175.510 0.034 0.000 1.813 212 N CA -0.027 53.037 53.050 0.023 0.000 0.901 212 N CB 1.706 40.217 38.487 0.040 0.000 1.354 212 N HN -0.136 nan 8.380 nan 0.000 0.491 213 V N 1.100 121.028 119.914 0.024 0.000 2.775 213 V HA 0.220 4.340 4.120 -0.000 0.000 0.299 213 V C 0.533 176.659 176.094 0.054 0.000 1.062 213 V CA -0.217 62.096 62.300 0.021 0.000 1.063 213 V CB 1.779 33.614 31.823 0.021 0.000 0.994 213 V HN -0.047 nan 8.190 nan 0.000 0.483 214 V N 5.675 125.651 119.914 0.103 0.000 2.409 214 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 214 V C -0.416 175.743 176.094 0.108 0.000 1.020 214 V CA -0.575 61.801 62.300 0.127 0.000 0.848 214 V CB 1.535 33.494 31.823 0.227 0.000 0.990 214 V HN 0.645 nan 8.190 nan 0.000 0.430 215 L N 5.166 126.413 121.223 0.039 0.000 2.287 215 L HA 0.670 5.010 4.340 -0.000 0.000 0.287 215 L C 0.176 177.076 176.870 0.049 0.000 1.022 215 L CA 0.585 55.441 54.840 0.027 0.000 0.814 215 L CB 1.705 43.714 42.059 -0.083 0.000 1.217 215 L HN 0.678 nan 8.230 nan 0.000 0.420 216 T N 4.371 118.979 114.554 0.090 0.000 2.743 216 T HA 0.386 4.736 4.350 -0.000 0.000 0.292 216 T C -1.181 173.603 174.700 0.140 0.000 0.972 216 T CA -0.017 62.135 62.100 0.087 0.000 0.967 216 T CB 0.094 69.001 68.868 0.065 0.000 0.926 216 T HN 0.655 nan 8.240 nan 0.000 0.459 217 H N 2.807 121.883 119.070 0.009 0.000 2.782 217 H HA 0.328 4.884 4.556 0.000 0.000 0.347 217 H C 0.182 175.496 175.328 -0.024 0.000 1.038 217 H CA -0.595 55.457 56.048 0.006 0.000 1.255 217 H CB 0.414 30.192 29.762 0.027 0.000 1.623 217 H HN 0.758 nan 8.280 nan 0.000 0.525 218 N N 3.930 122.289 118.700 -0.569 0.000 2.698 218 N HA -0.262 4.478 4.740 -0.000 0.000 0.258 218 N C 0.621 176.012 175.510 -0.199 0.000 0.978 218 N CA 0.720 53.512 53.050 -0.429 0.000 0.777 218 N CB -0.749 37.374 38.487 -0.607 0.000 0.907 218 N HN 1.125 nan 8.380 nan 0.000 0.543 219 G N -0.475 108.257 108.800 -0.112 0.000 2.143 219 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.249 219 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.249 219 G C -0.066 174.812 174.900 -0.037 0.000 0.981 219 G CA 0.791 45.854 45.100 -0.061 0.000 0.665 219 G HN 0.599 nan 8.290 nan 0.000 0.528 220 K N 0.344 120.729 120.400 -0.026 0.000 2.443 220 K HA 0.513 4.833 4.320 -0.000 0.000 0.252 220 K C -1.559 175.055 176.600 0.023 0.000 0.933 220 K CA -0.885 55.403 56.287 0.002 0.000 0.792 220 K CB 1.249 33.755 32.500 0.010 0.000 1.185 220 K HN -0.021 nan 8.250 nan 0.000 0.425 221 D N 1.869 122.279 120.400 0.017 0.000 2.225 221 D HA 0.303 4.943 4.640 -0.000 0.000 0.248 221 D C -0.953 175.354 176.300 0.011 0.000 1.096 221 D CA 0.174 54.186 54.000 0.021 0.000 0.863 221 D CB 1.895 42.708 40.800 0.021 0.000 1.156 221 D HN 0.371 nan 8.370 nan 0.000 0.450 222 T N 2.944 117.492 114.554 -0.009 0.000 2.848 222 T HA 0.267 4.617 4.350 -0.000 0.000 0.285 222 T C -0.051 174.629 174.700 -0.033 0.000 0.995 222 T CA -0.929 61.146 62.100 -0.040 0.000 0.970 222 T CB 1.489 70.272 68.868 -0.142 0.000 0.976 222 T HN -0.054 nan 8.240 nan 0.000 0.441 223 K N 2.767 123.166 120.400 -0.003 0.000 2.298 223 K HA 0.491 4.811 4.320 -0.000 0.000 0.280 223 K C -0.382 176.227 176.600 0.015 0.000 1.032 223 K CA -0.248 56.046 56.287 0.013 0.000 0.958 223 K CB 0.713 33.226 32.500 0.021 0.000 0.978 223 K HN 0.556 nan 8.250 nan 0.000 0.472 224 I N 0.886 121.467 120.570 0.018 0.000 2.498 224 I HA 0.093 4.263 4.170 -0.000 0.000 0.290 224 I C -0.133 175.988 176.117 0.006 0.000 1.032 224 I CA -0.622 60.698 61.300 0.035 0.000 1.073 224 I CB 2.155 40.180 38.000 0.042 0.000 1.251 224 I HN 0.376 nan 8.210 nan 0.000 0.426 225 S N 6.380 122.071 115.700 -0.016 0.000 2.448 225 S HA 0.450 4.920 4.470 -0.000 0.000 0.320 225 S C 0.814 175.344 174.600 -0.116 0.000 1.071 225 S CA -0.620 57.532 58.200 -0.080 0.000 1.113 225 S CB 0.654 63.804 63.200 -0.082 0.000 0.972 225 S HN 0.638 nan 8.310 nan 0.000 0.465 226 L N 4.508 125.663 121.223 -0.113 0.000 2.291 226 L HA 0.020 4.360 4.340 -0.000 0.000 0.214 226 L C 2.058 178.763 176.870 -0.274 0.000 1.120 226 L CA 0.838 55.646 54.840 -0.053 0.000 0.799 226 L CB -0.552 41.615 42.059 0.181 0.000 0.925 226 L HN 0.850 nan 8.230 nan 0.000 0.446 227 Y N 1.226 120.941 120.300 -0.976 0.000 2.114 227 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 227 Y C 2.502 178.097 175.900 -0.507 0.000 1.143 227 Y CA 1.526 58.843 58.100 -1.304 0.000 1.135 227 Y CB -0.360 37.217 38.460 -1.472 0.000 0.980 227 Y HN 0.067 nan 8.280 nan 0.000 0.499 228 A N 1.291 123.793 122.820 -0.530 0.000 1.933 228 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 228 A C 1.627 179.015 177.584 -0.327 0.000 1.175 228 A CA 0.937 52.701 52.037 -0.454 0.000 0.628 228 A CB -1.131 17.759 19.000 -0.184 0.000 0.814 228 A HN 0.521 nan 8.150 nan 0.000 0.444 232 K N -0.252 119.928 120.400 -0.366 0.000 2.374 232 K HA 0.344 4.664 4.320 -0.000 0.000 0.202 232 K C 0.701 177.191 176.600 -0.184 0.000 1.040 232 K CA 0.749 56.862 56.287 -0.291 0.000 1.085 232 K CB 1.396 33.656 32.500 -0.401 0.000 0.873 232 K HN 0.347 nan 8.250 nan 0.000 0.539 233 G N 2.915 111.619 108.800 -0.160 0.000 2.198 233 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 233 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 233 G C -0.388 174.449 174.900 -0.106 0.000 1.025 233 G CA 0.457 45.491 45.100 -0.110 0.000 0.769 233 G HN 0.322 nan 8.290 nan 0.000 0.507 234 D N 0.395 120.718 120.400 -0.128 0.000 2.435 234 D HA 0.316 4.956 4.640 -0.000 0.000 0.230 234 D C 1.790 178.031 176.300 -0.098 0.000 1.215 234 D CA -0.535 53.400 54.000 -0.107 0.000 0.947 234 D CB -0.170 40.562 40.800 -0.115 0.000 1.048 234 D HN 0.266 nan 8.370 nan 0.000 0.512 235 L N 2.555 123.723 121.223 -0.090 0.000 2.551 235 L HA -0.056 4.284 4.340 -0.000 0.000 0.228 235 L C 2.309 179.104 176.870 -0.126 0.000 1.153 235 L CA 0.834 55.616 54.840 -0.097 0.000 0.851 235 L CB -0.567 41.441 42.059 -0.086 0.000 0.959 235 L HN 0.427 nan 8.230 nan 0.000 0.451 236 T N -3.913 110.572 114.554 -0.115 0.000 3.007 236 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 236 T C 1.692 176.289 174.700 -0.173 0.000 1.107 236 T CA 0.584 62.599 62.100 -0.141 0.000 1.118 236 T CB -0.064 68.752 68.868 -0.087 0.000 0.889 236 T HN 0.244 nan 8.240 nan 0.000 0.506 237 Q N 0.914 120.651 119.800 -0.105 0.000 2.435 237 Q HA 0.225 4.565 4.340 -0.000 0.000 0.207 237 Q C 0.591 176.584 176.000 -0.012 0.000 0.956 237 Q CA 0.274 56.070 55.803 -0.012 0.000 0.917 237 Q CB -0.380 28.351 28.738 -0.013 0.000 0.997 237 Q HN 0.520 nan 8.270 nan 0.000 0.497 238 N N 0.722 119.325 118.700 -0.162 0.000 2.524 238 N HA 0.140 4.880 4.740 -0.000 0.000 0.283 238 N C -1.258 174.030 175.510 -0.369 0.000 1.142 238 N CA 0.009 52.987 53.050 -0.119 0.000 0.984 238 N CB 0.543 38.969 38.487 -0.102 0.000 1.155 238 N HN -0.015 nan 8.380 nan 0.000 0.467 239 H N 0.124 119.165 119.070 -0.048 0.000 2.930 239 H HA 0.388 4.944 4.556 -0.000 0.000 0.371 239 H C -0.913 174.357 175.328 -0.097 0.000 1.169 239 H CA -0.786 55.230 56.048 -0.052 0.000 1.157 239 H CB 1.162 30.904 29.762 -0.034 0.000 1.789 239 H HN 0.337 nan 8.280 nan 0.000 0.547 240 L N 2.388 123.603 121.223 -0.012 0.000 2.416 240 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 240 L C -1.006 175.677 176.870 -0.312 0.000 1.161 240 L CA 0.165 54.886 54.840 -0.197 0.000 0.845 240 L CB 0.015 41.920 42.059 -0.257 0.000 1.119 240 L HN 0.483 nan 8.230 nan 0.000 0.464 241 L N 5.489 126.503 121.223 -0.349 0.000 2.343 241 L HA 0.455 4.795 4.340 -0.000 0.000 0.275 241 L C -0.976 175.641 176.870 -0.422 0.000 1.056 241 L CA -0.644 54.045 54.840 -0.253 0.000 0.804 241 L CB 1.135 43.131 42.059 -0.105 0.000 1.203 241 L HN 0.536 nan 8.230 nan 0.000 0.440 242 Y N -0.863 119.454 120.300 0.028 0.000 2.602 242 Y HA 0.291 4.841 4.550 0.000 0.000 0.342 242 Y C 0.288 176.214 175.900 0.043 0.000 1.029 242 Y CA -1.102 57.039 58.100 0.068 0.000 1.080 242 Y CB 1.037 39.543 38.460 0.077 0.000 1.284 242 Y HN 0.509 nan 8.280 nan 0.000 0.485 243 H N 0.267 119.506 119.070 0.281 0.000 3.125 243 H HA 0.193 4.749 4.556 -0.000 0.000 0.310 243 H C 0.943 176.371 175.328 0.167 0.000 0.980 243 H CA 1.147 57.292 56.048 0.162 0.000 1.422 243 H CB 0.144 29.987 29.762 0.135 0.000 1.432 243 H HN 0.935 nan 8.280 nan 0.000 0.577 244 G N 3.200 112.101 108.800 0.168 0.000 2.195 244 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 244 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 244 G C -0.200 174.840 174.900 0.233 0.000 0.984 244 G CA 0.204 45.441 45.100 0.229 0.000 0.633 244 G HN 0.732 nan 8.290 nan 0.000 0.525 245 D N 0.429 120.937 120.400 0.180 0.000 2.399 245 D HA 0.508 5.148 4.640 -0.000 0.000 0.241 245 D C 0.883 177.329 176.300 0.244 0.000 1.133 245 D CA 0.399 54.524 54.000 0.209 0.000 0.890 245 D CB 0.801 41.727 40.800 0.209 0.000 1.201 245 D HN 0.396 nan 8.370 nan 0.000 0.432 246 I N 1.615 122.317 120.570 0.220 0.000 2.406 246 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 246 I C -0.721 175.507 176.117 0.186 0.000 0.999 246 I CA -1.013 60.430 61.300 0.239 0.000 1.124 246 I CB 1.685 39.800 38.000 0.190 0.000 1.289 246 I HN 0.006 nan 8.210 nan 0.000 0.441 247 L N 7.554 128.890 121.223 0.187 0.000 2.295 247 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 247 L C -1.321 175.674 176.870 0.208 0.000 1.018 247 L CA -0.192 54.739 54.840 0.152 0.000 0.841 247 L CB 0.824 42.939 42.059 0.094 0.000 1.218 247 L HN 0.412 nan 8.230 nan 0.000 0.424 248 F N 6.230 126.212 119.950 0.054 0.000 2.444 248 F HA 0.663 5.190 4.527 0.000 0.000 0.342 248 F C -0.806 175.024 175.800 0.051 0.000 1.121 248 F CA -0.885 57.146 58.000 0.052 0.000 0.997 248 F CB 1.059 40.085 39.000 0.044 0.000 1.130 248 F HN 0.300 nan 8.300 nan 0.000 0.454 249 I N 8.982 129.088 120.570 -0.773 0.000 2.330 249 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 249 I C -2.158 173.375 176.117 -0.973 0.000 1.025 249 I CA -2.553 58.380 61.300 -0.612 0.000 1.197 249 I CB 0.767 38.610 38.000 -0.261 0.000 1.358 249 I HN 0.388 nan 8.210 nan 0.000 0.467 250 P HA 0.230 nan 4.420 nan 0.000 0.274 250 P C -0.321 176.876 177.300 -0.171 0.000 1.256 250 P CA -0.443 62.403 63.100 -0.423 0.000 0.795 250 P CB 0.744 32.433 31.700 -0.018 0.000 1.038 251 S N -0.092 115.585 115.700 -0.039 0.000 2.730 251 S HA 0.217 4.687 4.470 -0.000 0.000 0.284 251 S C 0.987 175.597 174.600 0.017 0.000 1.153 251 S CA -0.621 57.574 58.200 -0.009 0.000 0.995 251 S CB 0.054 63.265 63.200 0.018 0.000 1.058 251 S HN 0.536 nan 8.310 nan 0.000 0.552 252 N N -0.155 118.549 118.700 0.008 0.000 2.421 252 N HA -0.004 4.736 4.740 -0.000 0.000 0.201 252 N C 0.010 175.520 175.510 0.000 0.000 1.198 252 N CA 0.124 53.177 53.050 0.004 0.000 0.838 252 N CB -0.537 37.943 38.487 -0.011 0.000 1.011 252 N HN 0.544 nan 8.380 nan 0.000 0.463 253 D N 1.218 121.633 120.400 0.026 0.000 2.221 253 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 253 D C 0.662 176.986 176.300 0.039 0.000 0.982 253 D CA 1.277 55.300 54.000 0.037 0.000 0.857 253 D CB -0.076 40.765 40.800 0.069 0.000 0.934 253 D HN 0.629 nan 8.370 nan 0.000 0.475 254 D N -0.675 119.759 120.400 0.057 0.000 2.363 254 D HA -0.036 4.604 4.640 -0.000 0.000 0.214 254 D C 0.659 176.932 176.300 -0.045 0.000 1.093 254 D CA -0.090 53.965 54.000 0.092 0.000 0.837 254 D CB -0.665 40.256 40.800 0.201 0.000 0.948 254 D HN 0.173 nan 8.370 nan 0.000 0.507 255 L N 0.676 121.840 121.223 -0.098 0.000 2.727 255 L HA 0.195 4.535 4.340 -0.000 0.000 0.237 255 L C 0.384 177.067 176.870 -0.312 0.000 1.370 255 L CA -0.251 54.490 54.840 -0.165 0.000 1.248 255 L CB -0.296 41.711 42.059 -0.086 0.000 1.556 255 L HN -0.233 nan 8.230 nan 0.000 0.420 256 K N 1.166 121.215 120.400 -0.585 0.000 2.218 256 K HA 0.513 4.833 4.320 -0.000 0.000 0.276 256 K C -0.368 175.708 176.600 -0.874 0.000 1.022 256 K CA -0.319 55.520 56.287 -0.747 0.000 0.946 256 K CB 2.656 34.586 32.500 -0.950 0.000 1.000 256 K HN -0.024 nan 8.250 nan 0.000 0.468 257 V N 3.943 123.394 119.914 -0.771 0.000 2.709 257 V HA 0.421 4.541 4.120 -0.000 0.000 0.308 257 V C -1.126 174.575 176.094 -0.654 0.000 1.062 257 V CA -0.926 60.977 62.300 -0.662 0.000 0.901 257 V CB 1.425 33.085 31.823 -0.272 0.000 1.003 257 V HN 0.484 nan 8.190 nan 0.000 0.425 258 F N 3.314 123.277 119.950 0.023 0.000 2.444 258 F HA 0.775 5.302 4.527 -0.000 0.000 0.342 258 F C 0.165 176.008 175.800 0.072 0.000 1.121 258 F CA -0.820 57.209 58.000 0.048 0.000 0.997 258 F CB 1.545 40.587 39.000 0.070 0.000 1.130 258 F HN 0.173 nan 8.300 nan 0.000 0.454 262 E N 1.026 121.141 120.200 -0.142 0.000 2.261 262 E HA 0.450 4.800 4.350 -0.000 0.000 0.308 262 E C 0.475 177.041 176.600 -0.057 0.000 1.400 262 E CA -0.260 56.100 56.400 -0.068 0.000 1.542 262 E CB -0.068 29.596 29.700 -0.060 0.000 1.369 262 E HN 0.735 nan 8.360 nan 0.000 0.493 263 V N -1.851 118.043 119.914 -0.033 0.000 3.177 263 V HA 0.723 4.843 4.120 -0.000 0.000 0.319 263 V C 1.517 177.609 176.094 -0.003 0.000 1.125 263 V CA -0.310 61.978 62.300 -0.019 0.000 1.029 263 V CB 1.272 33.090 31.823 -0.009 0.000 1.119 263 V HN 0.207 nan 8.190 nan 0.000 0.452 264 G N -0.164 108.636 108.800 -0.000 0.000 2.418 264 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.217 264 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.217 264 G C 0.630 175.537 174.900 0.011 0.000 1.158 264 G CA 1.146 46.249 45.100 0.005 0.000 0.771 264 G HN 0.842 nan 8.290 nan 0.000 0.545 265 K N 0.410 120.820 120.400 0.016 0.000 2.687 265 K HA 0.244 4.564 4.320 -0.000 0.000 0.249 265 K C -0.717 175.904 176.600 0.035 0.000 0.994 265 K CA -0.424 55.878 56.287 0.024 0.000 0.913 265 K CB 1.003 33.515 32.500 0.021 0.000 1.202 265 K HN 0.172 nan 8.250 nan 0.000 0.460 266 Q N 1.680 121.507 119.800 0.044 0.000 2.330 266 Q HA 0.186 4.526 4.340 -0.000 0.000 0.279 266 Q C -0.721 175.321 176.000 0.071 0.000 1.024 266 Q CA 0.361 56.203 55.803 0.065 0.000 0.900 266 Q CB 1.182 29.964 28.738 0.074 0.000 1.221 266 Q HN 0.528 nan 8.270 nan 0.000 0.396 267 S N 0.759 116.515 115.700 0.093 0.000 2.570 267 S HA 0.388 4.858 4.470 -0.000 0.000 0.270 267 S C -1.025 173.662 174.600 0.145 0.000 1.149 267 S CA -0.909 57.347 58.200 0.093 0.000 0.837 267 S CB 2.081 65.317 63.200 0.060 0.000 1.124 267 S HN 0.480 nan 8.310 nan 0.000 0.465 268 T N 2.466 117.105 114.554 0.143 0.000 2.767 268 T HA 0.609 4.959 4.350 -0.000 0.000 0.284 268 T C -0.422 174.304 174.700 0.044 0.000 0.973 268 T CA -0.376 61.826 62.100 0.170 0.000 0.996 268 T CB 0.015 69.020 68.868 0.227 0.000 0.927 268 T HN 0.349 nan 8.240 nan 0.000 0.456 269 L N 2.733 123.931 121.223 -0.042 0.000 2.322 269 L HA 0.677 5.017 4.340 -0.000 0.000 0.269 269 L C 0.336 177.132 176.870 -0.124 0.000 1.012 269 L CA -1.159 53.640 54.840 -0.069 0.000 0.815 269 L CB 1.564 43.582 42.059 -0.069 0.000 1.295 269 L HN 0.390 nan 8.230 nan 0.000 0.438 273 R N -0.319 120.163 120.500 -0.030 0.000 2.316 273 R HA 0.131 4.471 4.340 -0.000 0.000 0.202 273 R C 1.426 177.855 176.300 0.215 0.000 1.029 273 R CA 1.243 57.367 56.100 0.040 0.000 1.018 273 R CB -0.242 29.850 30.300 -0.347 0.000 0.888 273 R HN 0.505 nan 8.270 nan 0.000 0.471 274 S N -0.734 115.013 115.700 0.079 0.000 2.548 274 S HA 0.238 4.708 4.470 -0.000 0.000 0.215 274 S C 0.975 175.563 174.600 -0.021 0.000 0.976 274 S CA 0.022 58.251 58.200 0.048 0.000 0.908 274 S CB 0.454 63.666 63.200 0.019 0.000 0.781 274 S HN 0.465 nan 8.310 nan 0.000 0.519 278 L N 1.860 123.159 121.223 0.128 0.000 2.013 278 L HA 0.130 4.470 4.340 -0.000 0.000 0.212 278 L C 2.861 179.747 176.870 0.027 0.000 1.073 278 L CA 3.101 57.986 54.840 0.076 0.000 0.753 278 L CB -1.404 40.672 42.059 0.029 0.000 0.890 278 L HN 1.005 nan 8.230 nan 0.000 0.432 279 A N -0.827 122.007 122.820 0.023 0.000 1.908 279 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 279 A C 2.334 179.920 177.584 0.003 0.000 1.181 279 A CA 1.861 53.901 52.037 0.005 0.000 0.627 279 A CB -0.775 18.228 19.000 0.005 0.000 0.818 279 A HN 0.681 nan 8.150 nan 0.000 0.445 280 E N -0.072 120.131 120.200 0.006 0.000 2.072 280 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 280 E C 2.118 178.716 176.600 -0.002 0.000 0.985 280 E CA 1.100 57.499 56.400 -0.001 0.000 0.801 280 E CB -0.334 29.363 29.700 -0.006 0.000 0.750 280 E HN 0.496 nan 8.360 nan 0.000 0.452 281 A N 1.261 124.082 122.820 0.002 0.000 1.892 281 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 281 A C 2.239 179.826 177.584 0.005 0.000 1.188 281 A CA 1.686 53.724 52.037 0.002 0.000 0.631 281 A CB -0.831 18.177 19.000 0.013 0.000 0.822 281 A HN 0.355 nan 8.150 nan 0.000 0.447 282 L N -0.941 120.283 121.223 0.002 0.000 2.056 282 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 282 L C 2.877 179.745 176.870 -0.004 0.000 1.078 282 L CA 1.064 55.902 54.840 -0.003 0.000 0.749 282 L CB -0.876 41.175 42.059 -0.013 0.000 0.901 282 L HN 0.487 nan 8.230 nan 0.000 0.433 283 G N 0.042 108.840 108.800 -0.005 0.000 2.418 283 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 283 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 283 G C 1.327 176.225 174.900 -0.003 0.000 1.158 283 G CA 0.812 45.909 45.100 -0.005 0.000 0.771 283 G HN 0.340 nan 8.290 nan 0.000 0.545 284 N N 1.159 119.857 118.700 -0.003 0.000 2.381 284 N HA 0.018 4.758 4.740 -0.000 0.000 0.182 284 N C 1.845 177.357 175.510 0.004 0.000 1.025 284 N CA 0.934 53.982 53.050 -0.002 0.000 0.888 284 N CB -0.244 38.239 38.487 -0.007 0.000 0.965 284 N HN 0.321 nan 8.380 nan 0.000 0.438 285 A N 0.489 123.313 122.820 0.007 0.000 2.370 285 A HA 0.129 4.449 4.320 -0.000 0.000 0.238 285 A C 0.068 177.657 177.584 0.008 0.000 1.289 285 A CA -0.193 51.852 52.037 0.013 0.000 0.885 285 A CB -0.495 18.517 19.000 0.020 0.000 0.961 285 A HN 0.276 nan 8.150 nan 0.000 0.499 286 E N -1.575 118.627 120.200 0.003 0.000 2.637 286 E HA -0.171 4.179 4.350 -0.000 0.000 0.265 286 E C 0.656 177.254 176.600 -0.003 0.000 1.073 286 E CA 0.435 56.835 56.400 0.001 0.000 0.778 286 E CB -2.310 27.392 29.700 0.003 0.000 1.362 286 E HN 1.861 nan 8.360 nan 0.000 0.413 287 G N -0.291 108.506 108.800 -0.005 0.000 2.814 287 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.677 287 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.677 287 G C 0.003 174.893 174.900 -0.016 0.000 1.429 287 G CA -0.407 44.686 45.100 -0.011 0.000 0.868 287 G HN 0.260 nan 8.290 nan 0.000 0.553 288 I N 0.708 121.263 120.570 -0.024 0.000 2.775 288 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 288 I C 1.524 177.626 176.117 -0.024 0.000 1.203 288 I CA 0.858 62.139 61.300 -0.033 0.000 1.433 288 I CB 1.016 38.993 38.000 -0.039 0.000 1.354 288 I HN 0.657 nan 8.210 nan 0.000 0.579 289 S N 6.222 121.907 115.700 -0.025 0.000 2.466 289 S HA 0.028 4.498 4.470 -0.000 0.000 0.286 289 S C 1.111 175.703 174.600 -0.014 0.000 1.221 289 S CA -0.629 57.562 58.200 -0.015 0.000 1.091 289 S CB 0.524 63.717 63.200 -0.012 0.000 0.956 289 S HN 0.541 nan 8.310 nan 0.000 0.501 290 Q N 2.932 122.726 119.800 -0.011 0.000 2.167 290 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 290 Q C 0.439 176.437 176.000 -0.004 0.000 0.970 290 Q CA 1.211 57.009 55.803 -0.009 0.000 0.855 290 Q CB -0.262 28.471 28.738 -0.008 0.000 0.911 290 Q HN 0.752 nan 8.270 nan 0.000 0.438 294 D N 1.048 121.444 120.400 -0.007 0.000 2.443 294 D HA 0.625 5.265 4.640 -0.000 0.000 0.221 294 D C 0.923 177.209 176.300 -0.023 0.000 1.097 294 D CA -0.207 53.794 54.000 0.002 0.000 0.865 294 D CB 1.235 42.055 40.800 0.033 0.000 1.034 294 D HN 0.798 nan 8.370 nan 0.000 0.511 295 A N 2.820 125.620 122.820 -0.034 0.000 2.235 295 A HA -0.028 4.292 4.320 -0.000 0.000 0.208 295 A C 1.782 179.320 177.584 -0.078 0.000 1.172 295 A CA 1.021 53.023 52.037 -0.058 0.000 0.786 295 A CB -0.484 18.488 19.000 -0.048 0.000 0.804 295 A HN 0.595 nan 8.150 nan 0.000 0.479 296 T N -3.747 110.769 114.554 -0.063 0.000 3.088 296 T HA 0.203 4.553 4.350 -0.000 0.000 0.259 296 T C 1.014 175.619 174.700 -0.157 0.000 1.122 296 T CA 0.809 62.859 62.100 -0.083 0.000 1.095 296 T CB 0.023 68.868 68.868 -0.038 0.000 0.930 296 T HN 0.407 nan 8.240 nan 0.000 0.508 297 G N 1.407 110.119 108.800 -0.145 0.000 4.662 297 G HA2 0.589 4.549 3.960 -0.000 0.000 0.328 297 G HA3 0.589 4.549 3.960 -0.000 0.000 0.328 297 G C -0.458 174.250 174.900 -0.322 0.000 1.451 297 G CA -0.696 44.270 45.100 -0.223 0.000 1.154 297 G HN 0.540 nan 8.290 nan 0.000 0.547 298 I N 1.147 121.406 120.570 -0.519 0.000 2.330 298 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 298 I C -0.820 175.034 176.117 -0.438 0.000 1.001 298 I CA -0.667 60.443 61.300 -0.317 0.000 1.193 298 I CB 1.248 39.123 38.000 -0.207 0.000 1.345 298 I HN 0.080 nan 8.210 nan 0.000 0.461 299 F N 5.118 125.095 119.950 0.045 0.000 2.546 299 F HA 0.619 5.146 4.527 0.000 0.000 0.320 299 F C -0.128 175.727 175.800 0.091 0.000 1.076 299 F CA -0.965 57.091 58.000 0.094 0.000 0.928 299 F CB 1.991 41.107 39.000 0.192 0.000 1.189 299 F HN -0.046 nan 8.300 nan 0.000 0.465 300 V N 3.270 123.366 119.914 0.302 0.000 2.448 300 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 300 V C -0.792 175.529 176.094 0.380 0.000 1.025 300 V CA -0.824 61.647 62.300 0.285 0.000 0.859 300 V CB 1.785 33.709 31.823 0.168 0.000 0.988 300 V HN 0.502 nan 8.190 nan 0.000 0.431 301 V N 5.822 125.920 119.914 0.306 0.000 2.370 301 V HA 0.576 4.696 4.120 -0.000 0.000 0.283 301 V C 0.036 176.284 176.094 0.257 0.000 1.023 301 V CA -0.627 61.816 62.300 0.238 0.000 0.857 301 V CB 1.429 33.344 31.823 0.153 0.000 0.985 301 V HN 0.863 nan 8.190 nan 0.000 0.443 302 R N 3.635 124.291 120.500 0.260 0.000 2.513 302 R HA 0.396 4.736 4.340 -0.000 0.000 0.301 302 R C -0.221 176.188 176.300 0.182 0.000 0.968 302 R CA -0.590 55.666 56.100 0.259 0.000 0.872 302 R CB 1.614 32.137 30.300 0.371 0.000 1.177 302 R HN 0.851 nan 8.270 nan 0.000 0.444 303 Q N 3.859 123.753 119.800 0.157 0.000 2.286 303 Q HA 0.015 4.355 4.340 -0.000 0.000 0.290 303 Q C -1.219 174.842 176.000 0.101 0.000 1.049 303 Q CA 0.053 55.922 55.803 0.110 0.000 0.923 303 Q CB 0.764 29.557 28.738 0.091 0.000 1.183 303 Q HN 0.472 nan 8.270 nan 0.000 0.383 304 L N 4.404 125.675 121.223 0.080 0.000 2.287 304 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 304 L C -1.266 175.635 176.870 0.052 0.000 1.022 304 L CA -0.023 54.862 54.840 0.075 0.000 0.814 304 L CB 1.419 43.526 42.059 0.079 0.000 1.217 304 L HN 0.560 nan 8.230 nan 0.000 0.420 305 K N 3.485 123.913 120.400 0.047 0.000 2.138 305 K HA 0.663 4.983 4.320 -0.000 0.000 0.263 305 K C 0.700 177.318 176.600 0.030 0.000 0.965 305 K CA 0.007 56.314 56.287 0.032 0.000 0.868 305 K CB 1.510 34.027 32.500 0.028 0.000 1.083 305 K HN 0.832 nan 8.250 nan 0.000 0.443 306 G N 2.063 110.876 108.800 0.022 0.000 2.225 306 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.267 306 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.267 306 G C -0.265 174.650 174.900 0.025 0.000 1.024 306 G CA 0.621 45.733 45.100 0.020 0.000 0.784 306 G HN 0.748 nan 8.290 nan 0.000 0.507 307 D N -1.296 119.122 120.400 0.030 0.000 2.424 307 D HA 0.443 5.083 4.640 -0.000 0.000 0.244 307 D C 1.465 177.780 176.300 0.025 0.000 1.134 307 D CA -0.186 53.834 54.000 0.033 0.000 0.881 307 D CB 0.400 41.224 40.800 0.040 0.000 1.191 307 D HN 0.215 nan 8.370 nan 0.000 0.445 308 R N 0.890 121.405 120.500 0.025 0.000 2.334 308 R HA 0.095 4.435 4.340 -0.000 0.000 0.216 308 R C 1.084 177.395 176.300 0.018 0.000 0.905 308 R CA 0.625 56.736 56.100 0.019 0.000 1.064 308 R CB 0.377 30.688 30.300 0.018 0.000 1.046 308 R HN 0.530 nan 8.270 nan 0.000 0.508 309 T N -3.799 110.768 114.554 0.021 0.000 3.214 309 T HA 0.269 4.619 4.350 -0.000 0.000 0.264 309 T C 1.195 175.906 174.700 0.018 0.000 1.012 309 T CA 0.223 62.334 62.100 0.018 0.000 0.901 309 T CB 0.909 69.787 68.868 0.018 0.000 1.070 309 T HN 0.232 nan 8.240 nan 0.000 0.561 310 G N 1.698 110.509 108.800 0.019 0.000 2.179 310 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 310 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 310 G C 0.094 175.008 174.900 0.024 0.000 0.977 310 G CA -0.101 45.011 45.100 0.019 0.000 0.641 310 G HN 0.599 nan 8.290 nan 0.000 0.533 311 K N 0.604 121.020 120.400 0.027 0.000 2.326 311 K HA 0.432 4.752 4.320 -0.000 0.000 0.275 311 K C 1.680 178.300 176.600 0.034 0.000 1.018 311 K CA 0.183 56.489 56.287 0.032 0.000 0.962 311 K CB 0.974 33.497 32.500 0.038 0.000 0.953 311 K HN 0.644 nan 8.250 nan 0.000 0.475 312 I N -1.888 118.703 120.570 0.035 0.000 4.070 312 I HA 0.329 4.499 4.170 -0.000 0.000 0.328 312 I C 0.321 176.464 176.117 0.043 0.000 1.298 312 I CA -0.251 61.067 61.300 0.030 0.000 1.173 312 I CB 0.694 38.703 38.000 0.015 0.000 1.051 312 I HN 0.315 nan 8.210 nan 0.000 0.409 313 A N 0.615 123.465 122.820 0.050 0.000 2.589 313 A HA 0.613 4.933 4.320 -0.000 0.000 0.296 313 A C -1.881 175.738 177.584 0.058 0.000 1.062 313 A CA -0.613 51.461 52.037 0.062 0.000 0.686 313 A CB 1.228 20.262 19.000 0.056 0.000 1.282 313 A HN 0.114 nan 8.150 nan 0.000 0.404 314 D N 0.975 121.412 120.400 0.062 0.000 2.163 314 D HA 0.622 5.262 4.640 -0.000 0.000 0.248 314 D C -0.632 175.603 176.300 -0.109 0.000 1.035 314 D CA 0.237 54.227 54.000 -0.016 0.000 0.872 314 D CB 1.691 42.438 40.800 -0.087 0.000 1.183 314 D HN 0.436 nan 8.370 nan 0.000 0.445 315 I N 2.149 122.634 120.570 -0.141 0.000 2.406 315 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 315 I C -0.941 175.125 176.117 -0.085 0.000 0.999 315 I CA -0.865 60.422 61.300 -0.022 0.000 1.124 315 I CB 1.135 39.167 38.000 0.053 0.000 1.289 315 I HN 0.155 nan 8.210 nan 0.000 0.441 316 Y N 4.661 125.116 120.300 0.259 0.000 2.342 316 Y HA 0.388 4.938 4.550 -0.000 0.000 0.338 316 Y C 0.137 176.072 175.900 0.057 0.000 0.965 316 Y CA -0.562 57.624 58.100 0.142 0.000 1.159 316 Y CB 1.301 39.728 38.460 -0.055 0.000 1.157 316 Y HN 0.471 nan 8.280 nan 0.000 0.486 317 Q N 3.997 123.872 119.800 0.124 0.000 2.340 317 Q HA 0.471 4.811 4.340 -0.000 0.000 0.259 317 Q C -1.716 174.157 176.000 -0.212 0.000 0.964 317 Q CA -1.053 54.621 55.803 -0.215 0.000 0.900 317 Q CB 1.091 29.707 28.738 -0.204 0.000 1.228 317 Q HN 0.743 nan 8.270 nan 0.000 0.449 318 L N 4.814 125.855 121.223 -0.303 0.000 2.272 318 L HA 0.415 4.755 4.340 -0.000 0.000 0.289 318 L C -0.907 175.833 176.870 -0.217 0.000 1.032 318 L CA -0.218 54.496 54.840 -0.210 0.000 0.810 318 L CB 1.271 43.214 42.059 -0.194 0.000 1.205 318 L HN 0.595 nan 8.230 nan 0.000 0.422 319 N N 4.464 123.079 118.700 -0.142 0.000 2.439 319 N HA 0.340 5.080 4.740 -0.000 0.000 0.243 319 N C -0.283 175.175 175.510 -0.086 0.000 1.088 319 N CA 0.274 53.255 53.050 -0.115 0.000 0.940 319 N CB 1.301 39.743 38.487 -0.075 0.000 1.180 319 N HN 0.735 nan 8.380 nan 0.000 0.505 320 A N 3.720 126.485 122.820 -0.090 0.000 2.713 320 A HA 0.140 4.460 4.320 -0.000 0.000 0.296 320 A C 1.428 178.981 177.584 -0.051 0.000 1.255 320 A CA -0.336 51.661 52.037 -0.066 0.000 0.955 320 A CB -0.049 18.909 19.000 -0.070 0.000 1.149 320 A HN 0.749 nan 8.150 nan 0.000 0.538 321 Q N 0.280 120.052 119.800 -0.047 0.000 2.135 321 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 321 Q C 0.183 176.167 176.000 -0.026 0.000 0.981 321 Q CA 1.183 56.965 55.803 -0.033 0.000 0.856 321 Q CB 0.066 28.788 28.738 -0.028 0.000 0.902 321 Q HN 0.709 nan 8.270 nan 0.000 0.425 322 D N -1.189 119.195 120.400 -0.026 0.000 2.313 322 D HA 0.178 4.818 4.640 -0.000 0.000 0.239 322 D C 0.210 176.497 176.300 -0.023 0.000 1.142 322 D CA 0.032 54.020 54.000 -0.021 0.000 0.847 322 D CB 1.486 42.275 40.800 -0.017 0.000 1.082 322 D HN 0.124 nan 8.370 nan 0.000 0.480 323 A N 3.146 125.954 122.820 -0.020 0.000 2.070 323 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 323 A C 2.066 179.639 177.584 -0.018 0.000 1.159 323 A CA 1.705 53.729 52.037 -0.020 0.000 0.656 323 A CB -0.457 18.533 19.000 -0.017 0.000 0.800 323 A HN 0.638 nan 8.150 nan 0.000 0.453 324 S N 0.192 115.883 115.700 -0.014 0.000 2.447 324 S HA 0.262 4.732 4.470 -0.000 0.000 0.233 324 S C 1.274 175.867 174.600 -0.012 0.000 1.006 324 S CA 0.569 58.762 58.200 -0.011 0.000 0.957 324 S CB -0.851 62.344 63.200 -0.008 0.000 0.773 324 S HN 0.943 nan 8.310 nan 0.000 0.507 328 L N 1.137 122.367 121.223 0.011 0.000 2.093 328 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 328 L C 2.464 179.364 176.870 0.050 0.000 1.085 328 L CA 2.096 56.954 54.840 0.029 0.000 0.755 328 L CB -0.769 41.301 42.059 0.018 0.000 0.904 328 L HN 0.535 nan 8.230 nan 0.000 0.435 329 G N -0.446 108.364 108.800 0.017 0.000 2.443 329 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 329 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 329 G C 1.657 176.592 174.900 0.060 0.000 1.131 329 G CA 1.151 46.267 45.100 0.027 0.000 0.775 329 G HN 0.457 nan 8.290 nan 0.000 0.547 330 T N -1.935 112.641 114.554 0.037 0.000 3.072 330 T HA 0.116 4.466 4.350 -0.000 0.000 0.266 330 T C 1.721 176.440 174.700 0.030 0.000 1.127 330 T CA 1.325 63.442 62.100 0.028 0.000 1.107 330 T CB 0.035 68.911 68.868 0.013 0.000 0.910 330 T HN 0.425 nan 8.240 nan 0.000 0.513 331 E N -0.631 119.599 120.200 0.050 0.000 2.473 331 E HA 0.304 4.654 4.350 -0.000 0.000 0.204 331 E C -0.423 176.193 176.600 0.028 0.000 0.994 331 E CA -0.448 55.969 56.400 0.029 0.000 0.945 331 E CB 0.364 30.081 29.700 0.029 0.000 0.990 331 E HN 0.561 nan 8.360 nan 0.000 0.493 332 F N 2.811 122.718 119.950 -0.072 0.000 2.391 332 F HA 0.183 4.710 4.527 -0.000 0.000 0.359 332 F C -0.056 175.682 175.800 -0.104 0.000 1.122 332 F CA -0.842 57.095 58.000 -0.105 0.000 1.120 332 F CB 0.642 39.574 39.000 -0.113 0.000 1.142 332 F HN -0.255 nan 8.300 nan 0.000 0.483 333 Q N 6.814 126.292 119.800 -0.538 0.000 2.286 333 Q HA 0.319 4.659 4.340 -0.000 0.000 0.257 333 Q C -0.401 175.397 176.000 -0.337 0.000 0.941 333 Q CA -0.290 55.310 55.803 -0.339 0.000 0.912 333 Q CB 1.836 30.380 28.738 -0.322 0.000 1.192 333 Q HN 0.725 nan 8.270 nan 0.000 0.410 334 L N 2.135 123.307 121.223 -0.086 0.000 2.395 334 L HA 0.252 4.592 4.340 -0.000 0.000 0.269 334 L C 0.639 177.469 176.870 -0.068 0.000 1.133 334 L CA -0.270 54.564 54.840 -0.010 0.000 0.812 334 L CB 0.493 42.566 42.059 0.022 0.000 1.125 334 L HN 0.400 nan 8.230 nan 0.000 0.452 335 Q N 2.003 121.785 119.800 -0.029 0.000 2.301 335 Q HA 0.417 4.757 4.340 -0.000 0.000 0.267 335 Q C -2.399 173.589 176.000 -0.019 0.000 1.035 335 Q CA -2.086 53.703 55.803 -0.023 0.000 0.856 335 Q CB 1.710 30.452 28.738 0.007 0.000 1.337 335 Q HN 0.335 nan 8.270 nan 0.000 0.450 336 P HA -0.112 nan 4.420 nan 0.000 0.264 336 P C -1.172 176.158 177.300 0.049 0.000 1.183 336 P CA 0.771 63.814 63.100 -0.096 0.000 0.763 336 P CB 0.080 31.812 31.700 0.054 0.000 0.807 337 Y N -1.012 119.229 120.300 -0.099 0.000 4.907 337 Y HA -0.248 4.302 4.550 0.000 0.000 0.246 337 Y C 0.672 176.637 175.900 0.108 0.000 0.968 337 Y CA 0.460 58.573 58.100 0.022 0.000 1.961 337 Y CB -2.621 35.958 38.460 0.197 0.000 1.487 337 Y HN 0.363 nan 8.280 nan 0.000 0.575 338 D N 1.129 121.575 120.400 0.077 0.000 2.472 338 D HA 0.287 4.927 4.640 -0.000 0.000 0.237 338 D C 0.458 176.870 176.300 0.187 0.000 1.141 338 D CA 0.585 54.675 54.000 0.150 0.000 0.875 338 D CB 0.516 41.384 40.800 0.113 0.000 1.192 338 D HN 0.237 nan 8.370 nan 0.000 0.450 339 I N 1.669 122.406 120.570 0.277 0.000 2.377 339 I HA 0.180 4.350 4.170 -0.000 0.000 0.293 339 I C -0.267 176.004 176.117 0.256 0.000 0.987 339 I CA -0.827 60.658 61.300 0.309 0.000 1.185 339 I CB 1.724 39.902 38.000 0.297 0.000 1.341 339 I HN -0.067 nan 8.210 nan 0.000 0.455 340 V N 6.968 127.020 119.914 0.230 0.000 2.370 340 V HA 0.292 4.412 4.120 -0.000 0.000 0.283 340 V C -0.980 175.271 176.094 0.263 0.000 1.023 340 V CA -0.634 61.788 62.300 0.204 0.000 0.857 340 V CB 1.242 33.136 31.823 0.118 0.000 0.985 340 V HN 0.496 nan 8.190 nan 0.000 0.443 341 Y N 4.793 125.199 120.300 0.176 0.000 2.391 341 Y HA 0.718 5.268 4.550 0.000 0.000 0.341 341 Y C -0.783 175.248 175.900 0.219 0.000 0.965 341 Y CA -0.844 57.364 58.100 0.181 0.000 1.067 341 Y CB 2.044 40.600 38.460 0.159 0.000 1.199 341 Y HN 0.368 nan 8.280 nan 0.000 0.450 342 V N 5.790 125.260 119.914 -0.741 0.000 2.409 342 V HA 0.339 4.458 4.120 -0.000 0.000 0.291 342 V C -0.158 175.460 176.094 -0.792 0.000 1.020 342 V CA -0.752 61.230 62.300 -0.530 0.000 0.848 342 V CB 1.610 33.284 31.823 -0.249 0.000 0.990 342 V HN 0.916 nan 8.190 nan 0.000 0.430 343 T N 1.674 116.012 114.554 -0.361 0.000 2.898 343 T HA 0.298 4.648 4.350 -0.000 0.000 0.301 343 T C 0.279 174.958 174.700 -0.034 0.000 1.049 343 T CA -0.417 61.645 62.100 -0.065 0.000 1.095 343 T CB 0.652 69.648 68.868 0.214 0.000 0.976 343 T HN 0.594 nan 8.240 nan 0.000 0.539 344 T N 1.945 116.525 114.554 0.043 0.000 2.889 344 T HA 0.559 4.909 4.350 -0.000 0.000 0.291 344 T C 0.672 175.405 174.700 0.056 0.000 0.995 344 T CA -0.527 61.598 62.100 0.042 0.000 1.092 344 T CB 0.810 69.719 68.868 0.067 0.000 0.954 344 T HN 0.960 nan 8.240 nan 0.000 0.506 345 A N 4.441 127.287 122.820 0.043 0.000 2.540 345 A HA 0.295 4.615 4.320 -0.000 0.000 0.239 345 A C -1.074 176.550 177.584 0.067 0.000 1.061 345 A CA -1.035 51.030 52.037 0.046 0.000 0.758 345 A CB -0.301 18.720 19.000 0.035 0.000 0.991 345 A HN 0.558 nan 8.150 nan 0.000 0.502 346 P HA -0.217 nan 4.420 nan 0.000 0.217 346 P C 1.379 178.748 177.300 0.116 0.000 1.158 346 P CA 1.286 64.434 63.100 0.081 0.000 0.887 346 P CB 0.002 31.730 31.700 0.047 0.000 0.792 347 L N -1.643 119.632 121.223 0.087 0.000 2.201 347 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 347 L C 2.295 179.276 176.870 0.185 0.000 1.105 347 L CA 1.021 55.934 54.840 0.122 0.000 0.775 347 L CB -0.698 41.392 42.059 0.053 0.000 0.913 347 L HN -0.098 nan 8.230 nan 0.000 0.440 348 V N -0.306 119.682 119.914 0.124 0.000 2.379 348 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 348 V C 2.569 178.730 176.094 0.112 0.000 1.044 348 V CA 1.517 63.879 62.300 0.103 0.000 1.036 348 V CB -0.555 31.307 31.823 0.066 0.000 0.664 348 V HN 0.419 nan 8.190 nan 0.000 0.453 349 R N -0.801 119.773 120.500 0.123 0.000 2.081 349 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 349 R C 2.239 178.622 176.300 0.139 0.000 1.131 349 R CA 1.918 58.086 56.100 0.114 0.000 0.960 349 R CB -0.525 29.845 30.300 0.116 0.000 0.856 349 R HN 0.729 nan 8.270 nan 0.000 0.436 350 W N 2.509 123.817 121.300 0.013 0.000 2.317 350 W HA -0.267 4.393 4.660 -0.000 0.000 0.318 350 W C 1.458 177.981 176.519 0.008 0.000 1.227 350 W CA 1.849 59.200 57.345 0.010 0.000 1.269 350 W CB -0.462 29.003 29.460 0.008 0.000 1.155 350 W HN 0.089 nan 8.180 nan 0.000 0.484 351 N N 0.547 119.307 118.700 0.100 0.000 2.381 351 N HA -0.137 4.603 4.740 -0.000 0.000 0.182 351 N C 1.877 177.340 175.510 -0.078 0.000 1.025 351 N CA 1.280 54.316 53.050 -0.022 0.000 0.888 351 N CB -0.393 38.155 38.487 0.102 0.000 0.965 351 N HN 0.120 nan 8.380 nan 0.000 0.438 352 R N -0.801 119.675 120.500 -0.040 0.000 2.189 352 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 352 R C 1.689 177.930 176.300 -0.099 0.000 1.092 352 R CA 0.717 56.789 56.100 -0.047 0.000 0.989 352 R CB 0.047 30.342 30.300 -0.008 0.000 0.876 352 R HN 0.111 nan 8.270 nan 0.000 0.457 353 V N 0.610 120.418 119.914 -0.175 0.000 2.331 353 V HA -0.171 3.949 4.120 -0.000 0.000 0.242 353 V C 2.111 178.037 176.094 -0.279 0.000 1.034 353 V CA 1.184 63.347 62.300 -0.229 0.000 1.027 353 V CB -0.257 31.390 31.823 -0.293 0.000 0.667 353 V HN 0.173 nan 8.190 nan 0.000 0.457 354 I N 1.657 121.971 120.570 -0.426 0.000 2.208 354 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 354 I C 2.744 178.748 176.117 -0.188 0.000 1.097 354 I CA 2.269 63.347 61.300 -0.369 0.000 1.363 354 I CB -1.581 36.142 38.000 -0.461 0.000 1.051 354 I HN 0.545 nan 8.210 nan 0.000 0.413 355 S N 0.462 116.077 115.700 -0.141 0.000 2.469 355 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 355 S C 1.615 176.173 174.600 -0.070 0.000 0.998 355 S CA 0.777 58.929 58.200 -0.080 0.000 0.957 355 S CB -0.259 62.910 63.200 -0.052 0.000 0.764 355 S HN 0.441 nan 8.310 nan 0.000 0.514 356 Q N 0.344 120.092 119.800 -0.086 0.000 2.425 356 Q HA 0.377 4.717 4.340 -0.000 0.000 0.204 356 Q C 1.692 177.653 176.000 -0.066 0.000 0.933 356 Q CA 0.389 56.151 55.803 -0.067 0.000 0.939 356 Q CB -0.112 28.586 28.738 -0.067 0.000 1.044 356 Q HN 0.598 nan 8.270 nan 0.000 0.513 357 L N -0.676 120.497 121.223 -0.083 0.000 2.537 357 L HA 0.040 4.380 4.340 -0.000 0.000 0.224 357 L C 2.093 178.932 176.870 -0.053 0.000 1.065 357 L CA 0.245 55.041 54.840 -0.073 0.000 0.860 357 L CB -0.175 41.824 42.059 -0.100 0.000 1.086 357 L HN -0.015 nan 8.230 nan 0.000 0.482 358 V N -2.281 117.601 119.914 -0.054 0.000 2.407 358 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 358 V C -0.380 175.698 176.094 -0.026 0.000 1.055 358 V CA 0.984 63.260 62.300 -0.039 0.000 1.049 358 V CB -2.170 29.631 31.823 -0.038 0.000 0.662 358 V HN 0.247 nan 8.190 nan 0.000 0.455 359 P HA -0.072 nan 4.420 nan 0.000 0.218 359 P C 1.860 179.157 177.300 -0.006 0.000 1.148 359 P CA 2.026 65.118 63.100 -0.013 0.000 0.822 359 P CB -0.299 31.393 31.700 -0.013 0.000 0.784 360 T N -0.200 114.347 114.554 -0.011 0.000 2.737 360 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 360 T C 1.693 176.396 174.700 0.005 0.000 1.038 360 T CA 1.004 63.101 62.100 -0.005 0.000 1.144 360 T CB -0.686 68.174 68.868 -0.013 0.000 0.866 360 T HN -0.043 nan 8.240 nan 0.000 0.434 361 I N 1.679 122.248 120.570 -0.000 0.000 2.163 361 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 361 I C 2.740 178.878 176.117 0.033 0.000 1.085 361 I CA 1.388 62.695 61.300 0.012 0.000 1.347 361 I CB -1.697 36.299 38.000 -0.006 0.000 1.044 361 I HN 0.273 nan 8.210 nan 0.000 0.408 362 S N 0.967 116.675 115.700 0.013 0.000 2.382 362 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 362 S C 2.155 176.799 174.600 0.073 0.000 1.027 362 S CA 1.494 59.708 58.200 0.023 0.000 0.991 362 S CB -0.618 62.579 63.200 -0.006 0.000 0.823 362 S HN 0.518 nan 8.310 nan 0.000 0.469 363 G N 0.733 109.561 108.800 0.046 0.000 2.402 363 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 363 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 363 G C 1.481 176.408 174.900 0.045 0.000 1.162 363 G CA 0.974 46.099 45.100 0.042 0.000 0.777 363 G HN 0.467 nan 8.290 nan 0.000 0.539 364 V N 0.691 120.632 119.914 0.044 0.000 2.343 364 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 364 V C 2.481 178.600 176.094 0.043 0.000 1.051 364 V CA 2.032 64.352 62.300 0.033 0.000 1.036 364 V CB -0.649 31.189 31.823 0.026 0.000 0.654 364 V HN 0.564 nan 8.190 nan 0.000 0.451 365 H N 0.350 119.409 119.070 -0.018 0.000 2.319 365 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 365 H C 0.887 176.197 175.328 -0.030 0.000 1.092 365 H CA 1.725 57.759 56.048 -0.023 0.000 1.302 365 H CB -0.042 29.710 29.762 -0.017 0.000 1.373 365 H HN 0.405 nan 8.280 nan 0.000 0.497 369 E N 1.425 121.433 120.200 -0.320 0.000 2.110 369 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 369 E C 1.813 178.112 176.600 -0.501 0.000 0.988 369 E CA 1.725 57.847 56.400 -0.464 0.000 0.804 369 E CB -0.068 29.358 29.700 -0.456 0.000 0.745 369 E HN 0.431 nan 8.360 nan 0.000 0.458 370 T N 0.634 115.073 114.554 -0.191 0.000 2.701 370 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 370 T C 2.128 176.831 174.700 0.005 0.000 1.040 370 T CA 1.022 63.131 62.100 0.014 0.000 1.147 370 T CB -0.264 68.639 68.868 0.059 0.000 0.865 370 T HN -0.021 nan 8.240 nan 0.000 0.426 371 V N 1.589 121.478 119.914 -0.043 0.000 2.392 371 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 371 V C 2.621 178.690 176.094 -0.042 0.000 1.059 371 V CA 1.721 64.004 62.300 -0.029 0.000 1.051 371 V CB -0.655 31.144 31.823 -0.039 0.000 0.658 371 V HN 0.359 nan 8.190 nan 0.000 0.455 372 R N -1.295 119.133 120.500 -0.119 0.000 2.075 372 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 372 R C 2.389 178.655 176.300 -0.057 0.000 1.126 372 R CA 1.700 57.721 56.100 -0.132 0.000 0.963 372 R CB -0.294 29.865 30.300 -0.235 0.000 0.858 372 R HN 0.493 nan 8.270 nan 0.000 0.435 373 Y N 0.901 121.186 120.300 -0.024 0.000 2.128 373 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 373 Y C 2.156 178.048 175.900 -0.013 0.000 1.154 373 Y CA 1.250 59.340 58.100 -0.017 0.000 1.149 373 Y CB -0.497 37.953 38.460 -0.016 0.000 0.976 373 Y HN 0.051 nan 8.280 nan 0.000 0.505 374 I N -0.364 120.301 120.570 0.159 0.000 2.142 374 I HA -0.315 3.855 4.170 -0.000 0.000 0.240 374 I C 2.409 178.558 176.117 0.054 0.000 1.078 374 I CA 1.347 62.697 61.300 0.083 0.000 1.343 374 I CB -0.457 37.576 38.000 0.055 0.000 1.046 374 I HN 0.080 nan 8.210 nan 0.000 0.405 375 K N 0.786 121.208 120.400 0.036 0.000 2.020 375 K HA -0.112 4.208 4.320 -0.000 0.000 0.212 375 K C 0.563 177.181 176.600 0.030 0.000 1.050 375 K CA 1.174 57.473 56.287 0.021 0.000 0.929 375 K CB -0.130 32.371 32.500 0.002 0.000 0.714 375 K HN 0.327 nan 8.250 nan 0.000 0.443 376 R N 0.000 120.528 120.500 0.047 0.000 2.786 376 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 376 R CA 0.000 56.136 56.100 0.060 0.000 0.921 376 R CB 0.000 30.328 30.300 0.046 0.000 0.687 376 R HN 0.000 nan 8.270 nan 0.000 0.535