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 1wp6_1_A DATA FIRST_RESID 5 DATA SEQUENCE TNGTMMQYFE WYLPNDGNHW NRLNSDASNL KSKGITAVWI PPAWKGASQN DATA SEQUENCE DVGYGAYDLY DLGEFNQKGT VRTKYGTRSQ LQAAVTSLKN NGIQVYGDVV DATA SEQUENCE MNHKGGADAT EMVRAVEVNP NNRNQEVTGE YTIEAWTRFD FPGRGNTHSS DATA SEQUENCE FKWRWYHFDG VDWDQSRRLN NRIYKFRGHG KAWDWEVDTE NGNYDYLMYA DATA SEQUENCE DIDMDHPEVV NELRNWGVWY TNTLGLDGFR IDAVKHIKYS FTRDWINHVR DATA SEQUENCE SATGKNMFAV AEFWKNDLGA IENYLQKTNW NHSVFDVPLH YNLYNASKSG DATA SEQUENCE GNYDMRNIFN GTVVQRHPSH AVTFVDNHDS QPEEALESFV EEWFKPLAYA DATA SEQUENCE LTLTREQGYP SVFYGDYYGI PTHGVPAMRS KIDPILEARQ KYAYGKQNDY DATA SEQUENCE LDHHNIIGWT REGNTAHPNS GLATIMSDGA GGSKWMFVGR NKAGQVWSDI DATA SEQUENCE TGNRTGTVTI NADGWGNFSV NGGSVSIWVN K 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.737 174.700 0.062 0.000 1.109 5 T CA 0.000 62.125 62.100 0.042 0.000 1.349 5 T CB 0.000 68.956 68.868 0.147 0.000 0.612 6 N N 1.253 119.946 118.700 -0.012 0.000 2.740 6 N HA -0.119 4.621 4.740 0.000 0.000 0.248 6 N C 0.298 175.803 175.510 -0.009 0.000 1.062 6 N CA 1.506 54.527 53.050 -0.049 0.000 0.704 6 N CB -0.950 37.471 38.487 -0.110 0.000 0.968 6 N HN 0.994 nan 8.380 nan 0.000 0.547 7 G N -1.149 107.616 108.800 -0.057 0.000 2.539 7 G HA2 0.530 4.490 3.960 0.000 0.000 0.258 7 G HA3 0.530 4.490 3.960 0.000 0.000 0.258 7 G C -0.206 174.792 174.900 0.162 0.000 1.202 7 G CA 0.091 45.185 45.100 -0.010 0.000 0.851 7 G HN 0.139 nan 8.290 nan 0.000 0.556 8 T N 1.357 116.048 114.554 0.229 0.000 2.971 8 T HA 0.423 4.773 4.350 0.000 0.000 0.304 8 T C -0.234 174.595 174.700 0.215 0.000 1.038 8 T CA -0.432 61.821 62.100 0.254 0.000 1.007 8 T CB 1.573 70.523 68.868 0.136 0.000 1.055 8 T HN 0.582 nan 8.240 nan 0.000 0.451 9 M N 4.324 124.021 119.600 0.162 0.000 2.409 9 M HA 0.741 5.221 4.480 0.000 0.000 0.329 9 M C -1.231 175.179 176.300 0.183 0.000 1.180 9 M CA -0.839 54.522 55.300 0.102 0.000 1.053 9 M CB 1.487 34.042 32.600 -0.075 0.000 1.586 9 M HN 0.766 nan 8.290 nan 0.000 0.461 10 M N 4.113 123.847 119.600 0.223 0.000 2.204 10 M HA 0.288 4.768 4.480 0.000 0.000 0.293 10 M C -1.345 175.172 176.300 0.363 0.000 0.994 10 M CA -0.459 54.995 55.300 0.257 0.000 0.925 10 M CB 2.050 34.741 32.600 0.152 0.000 1.577 10 M HN 0.791 nan 8.290 nan 0.000 0.439 11 Q N 3.418 123.423 119.800 0.342 0.000 2.324 11 Q HA 0.047 4.387 4.340 0.000 0.000 0.257 11 Q C -1.458 174.585 176.000 0.070 0.000 1.080 11 Q CA -0.013 55.801 55.803 0.018 0.000 0.907 11 Q CB 0.444 29.002 28.738 -0.299 0.000 1.274 11 Q HN 0.794 nan 8.270 nan 0.000 0.434 12 Y N 7.271 127.609 120.300 0.064 0.000 2.971 12 Y HA 0.175 4.726 4.550 0.000 0.000 0.384 12 Y C -1.288 174.683 175.900 0.119 0.000 1.166 12 Y CA -0.402 57.819 58.100 0.202 0.000 1.973 12 Y CB -0.430 38.150 38.460 0.199 0.000 2.082 12 Y HN 0.538 nan 8.280 nan 0.000 0.420 13 F N -0.978 118.676 119.950 -0.493 0.000 2.890 13 F HA 0.505 5.032 4.527 0.000 0.000 0.326 13 F C -1.998 173.577 175.800 -0.375 0.000 1.143 13 F CA -1.696 55.851 58.000 -0.755 0.000 0.906 13 F CB 0.692 39.285 39.000 -0.678 0.000 1.303 13 F HN 0.000 nan 8.300 nan 0.000 0.447 14 E N 1.614 121.647 120.200 -0.278 0.000 2.393 14 E HA 0.258 4.608 4.350 0.000 0.000 0.273 14 E C -0.360 176.331 176.600 0.152 0.000 0.918 14 E CA -0.964 55.439 56.400 0.005 0.000 0.773 14 E CB 1.555 31.241 29.700 -0.024 0.000 1.275 14 E HN 0.822 nan 8.360 nan 0.000 0.451 15 W N 1.663 123.002 121.300 0.065 0.000 2.321 15 W HA -0.183 4.477 4.660 0.000 0.000 0.306 15 W C -0.222 176.123 176.519 -0.290 0.000 1.217 15 W CA 1.327 58.606 57.345 -0.109 0.000 1.257 15 W CB 0.064 29.364 29.460 -0.267 0.000 1.145 15 W HN 0.699 nan 8.180 nan 0.000 0.509 16 Y N 0.516 120.949 120.300 0.222 0.000 2.596 16 Y HA 0.125 4.676 4.550 0.000 0.000 0.316 16 Y C 0.709 176.621 175.900 0.020 0.000 1.156 16 Y CA -0.565 57.616 58.100 0.136 0.000 1.300 16 Y CB -1.036 37.561 38.460 0.229 0.000 1.130 16 Y HN -0.364 nan 8.280 nan 0.000 0.518 17 L N 1.990 123.216 121.223 0.005 0.000 2.499 17 L HA 0.099 4.439 4.340 0.000 0.000 0.281 17 L C -2.035 174.782 176.870 -0.089 0.000 1.234 17 L CA -2.161 52.628 54.840 -0.085 0.000 0.839 17 L CB -0.038 41.856 42.059 -0.276 0.000 1.104 17 L HN 0.036 nan 8.230 nan 0.000 0.500 18 P HA 0.097 nan 4.420 nan 0.000 0.271 18 P C -0.744 176.470 177.300 -0.143 0.000 1.218 18 P CA -0.238 62.820 63.100 -0.069 0.000 0.780 18 P CB 0.341 32.020 31.700 -0.035 0.000 0.901 19 N N 2.174 120.788 118.700 -0.143 0.000 3.298 19 N HA 0.008 4.748 4.740 0.000 0.000 0.292 19 N C -0.203 175.223 175.510 -0.141 0.000 1.271 19 N CA -0.147 52.786 53.050 -0.196 0.000 1.184 19 N CB -0.638 37.737 38.487 -0.186 0.000 1.452 19 N HN 0.236 nan 8.380 nan 0.000 0.534 20 D N -0.251 120.075 120.400 -0.123 0.000 2.398 20 D HA 0.178 4.818 4.640 0.000 0.000 0.210 20 D C 1.210 177.468 176.300 -0.071 0.000 1.094 20 D CA 0.088 54.043 54.000 -0.076 0.000 0.839 20 D CB -0.412 40.362 40.800 -0.044 0.000 0.963 20 D HN 0.244 nan 8.370 nan 0.000 0.506 21 G N 1.134 109.865 108.800 -0.116 0.000 2.187 21 G HA2 -0.395 3.565 3.960 0.000 0.000 0.261 21 G HA3 -0.395 3.565 3.960 0.000 0.000 0.261 21 G C 0.595 175.478 174.900 -0.028 0.000 1.000 21 G CA 0.515 45.562 45.100 -0.089 0.000 0.718 21 G HN 0.540 nan 8.290 nan 0.000 0.519 22 N N -0.976 117.713 118.700 -0.018 0.000 2.204 22 N HA 0.068 4.809 4.740 0.000 0.000 0.219 22 N C 1.409 176.951 175.510 0.053 0.000 1.151 22 N CA 0.156 53.222 53.050 0.028 0.000 0.867 22 N CB 0.293 38.795 38.487 0.026 0.000 1.043 22 N HN 0.482 nan 8.380 nan 0.000 0.516 23 H N -0.419 118.576 119.070 -0.125 0.000 2.389 23 H HA -0.039 4.517 4.556 0.000 0.000 0.299 23 H C 1.254 176.554 175.328 -0.047 0.000 1.081 23 H CA 1.888 57.849 56.048 -0.145 0.000 1.345 23 H CB -0.085 29.514 29.762 -0.271 0.000 1.393 23 H HN 0.288 nan 8.280 nan 0.000 0.520 24 W N 0.652 121.991 121.300 0.066 0.000 2.363 24 W HA -0.168 4.492 4.660 0.000 0.000 0.296 24 W C 2.122 178.605 176.519 -0.060 0.000 1.212 24 W CA 0.395 57.721 57.345 -0.033 0.000 1.260 24 W CB -0.100 29.365 29.460 0.007 0.000 1.131 24 W HN 0.200 nan 8.180 nan 0.000 0.530 25 N N 0.443 119.257 118.700 0.189 0.000 2.166 25 N HA -0.112 4.629 4.740 0.000 0.000 0.186 25 N C 1.604 177.145 175.510 0.050 0.000 1.019 25 N CA 1.218 54.327 53.050 0.099 0.000 0.856 25 N CB -0.621 37.913 38.487 0.077 0.000 0.993 25 N HN 0.273 nan 8.380 nan 0.000 0.426 26 R N 0.420 120.939 120.500 0.033 0.000 2.083 26 R HA -0.089 4.251 4.340 0.000 0.000 0.237 26 R C 2.106 178.430 176.300 0.040 0.000 1.137 26 R CA 0.846 56.967 56.100 0.035 0.000 0.951 26 R CB -0.519 29.808 30.300 0.044 0.000 0.851 26 R HN 0.135 nan 8.270 nan 0.000 0.434 27 L N 1.764 122.971 121.223 -0.027 0.000 2.046 27 L HA -0.169 4.171 4.340 0.000 0.000 0.208 27 L C 1.966 178.746 176.870 -0.150 0.000 1.077 27 L CA 1.737 56.439 54.840 -0.231 0.000 0.747 27 L CB -0.844 41.056 42.059 -0.266 0.000 0.896 27 L HN 0.135 nan 8.230 nan 0.000 0.432 28 N N -0.242 118.429 118.700 -0.048 0.000 2.018 28 N HA -0.232 4.508 4.740 0.000 0.000 0.196 28 N C 1.958 177.446 175.510 -0.037 0.000 1.043 28 N CA 2.130 55.157 53.050 -0.038 0.000 0.856 28 N CB -0.324 38.163 38.487 -0.001 0.000 1.042 28 N HN 0.634 nan 8.380 nan 0.000 0.423 29 S N -1.284 114.408 115.700 -0.014 0.000 2.481 29 S HA -0.053 4.417 4.470 0.000 0.000 0.231 29 S C 1.449 176.051 174.600 0.003 0.000 0.996 29 S CA 0.978 59.176 58.200 -0.003 0.000 0.942 29 S CB -0.014 63.191 63.200 0.009 0.000 0.768 29 S HN 0.252 nan 8.310 nan 0.000 0.520 30 D N 1.262 121.662 120.400 0.000 0.000 2.354 30 D HA 0.381 5.021 4.640 0.000 0.000 0.209 30 D C 1.920 178.217 176.300 -0.006 0.000 1.015 30 D CA 0.650 54.673 54.000 0.038 0.000 0.867 30 D CB -0.114 40.764 40.800 0.131 0.000 0.933 30 D HN 0.392 nan 8.370 nan 0.000 0.520 31 A N 0.386 123.170 122.820 -0.061 0.000 1.869 31 A HA -0.275 4.045 4.320 0.000 0.000 0.218 31 A C 2.335 179.896 177.584 -0.039 0.000 1.203 31 A CA 2.933 54.925 52.037 -0.075 0.000 0.638 31 A CB -1.153 17.798 19.000 -0.081 0.000 0.831 31 A HN 0.381 nan 8.150 nan 0.000 0.450 32 S N 0.171 115.858 115.700 -0.022 0.000 2.399 32 S HA -0.223 4.247 4.470 0.000 0.000 0.231 32 S C 1.715 176.319 174.600 0.007 0.000 1.022 32 S CA 1.566 59.760 58.200 -0.011 0.000 0.983 32 S CB -0.716 62.479 63.200 -0.008 0.000 0.803 32 S HN 0.702 nan 8.310 nan 0.000 0.480 33 N N 1.897 120.613 118.700 0.027 0.000 2.142 33 N HA 0.042 4.782 4.740 0.000 0.000 0.186 33 N C 1.654 177.196 175.510 0.054 0.000 1.023 33 N CA 1.435 54.519 53.050 0.057 0.000 0.852 33 N CB -0.597 37.951 38.487 0.102 0.000 0.998 33 N HN 0.466 nan 8.380 nan 0.000 0.424 34 L N -0.238 121.008 121.223 0.037 0.000 2.046 34 L HA -0.132 4.208 4.340 0.000 0.000 0.208 34 L C 2.390 179.250 176.870 -0.016 0.000 1.077 34 L CA 1.154 55.994 54.840 -0.000 0.000 0.747 34 L CB -0.503 41.539 42.059 -0.027 0.000 0.896 34 L HN 0.205 nan 8.230 nan 0.000 0.432 35 K N 0.728 121.118 120.400 -0.016 0.000 2.057 35 K HA -0.152 4.168 4.320 0.000 0.000 0.207 35 K C 2.313 178.910 176.600 -0.005 0.000 1.049 35 K CA 1.790 58.067 56.287 -0.018 0.000 0.931 35 K CB -0.325 32.161 32.500 -0.024 0.000 0.714 35 K HN 0.347 nan 8.250 nan 0.000 0.440 36 S N -0.114 115.589 115.700 0.005 0.000 2.402 36 S HA -0.057 4.414 4.470 0.000 0.000 0.229 36 S C 1.567 176.177 174.600 0.018 0.000 1.021 36 S CA 0.654 58.860 58.200 0.011 0.000 0.974 36 S CB -0.214 62.996 63.200 0.017 0.000 0.800 36 S HN 0.126 nan 8.310 nan 0.000 0.484 37 K N 0.977 121.391 120.400 0.023 0.000 2.486 37 K HA 0.199 4.519 4.320 0.000 0.000 0.194 37 K C 1.481 178.090 176.600 0.014 0.000 1.033 37 K CA 0.752 57.057 56.287 0.030 0.000 1.004 37 K CB -0.320 32.209 32.500 0.049 0.000 0.798 37 K HN 0.678 nan 8.250 nan 0.000 0.495 38 G N 0.889 109.693 108.800 0.006 0.000 2.184 38 G HA2 -0.161 3.799 3.960 0.000 0.000 0.206 38 G HA3 -0.161 3.799 3.960 0.000 0.000 0.206 38 G C 0.005 174.909 174.900 0.008 0.000 0.995 38 G CA -0.515 44.592 45.100 0.012 0.000 0.651 38 G HN 0.106 nan 8.290 nan 0.000 0.511 39 I N 2.723 123.285 120.570 -0.014 0.000 2.471 39 I HA 0.307 4.477 4.170 0.000 0.000 0.286 39 I C 1.761 177.872 176.117 -0.010 0.000 1.079 39 I CA 1.195 62.487 61.300 -0.013 0.000 1.398 39 I CB 0.768 38.741 38.000 -0.046 0.000 1.403 39 I HN 0.309 nan 8.210 nan 0.000 0.530 40 T N 1.743 116.302 114.554 0.010 0.000 3.010 40 T HA 0.556 4.906 4.350 0.000 0.000 0.257 40 T C 0.397 175.064 174.700 -0.056 0.000 1.020 40 T CA -0.049 62.044 62.100 -0.011 0.000 0.938 40 T CB 0.506 69.381 68.868 0.011 0.000 1.049 40 T HN 0.668 nan 8.240 nan 0.000 0.522 41 A N 0.594 123.373 122.820 -0.068 0.000 2.517 41 A HA 0.697 5.017 4.320 0.000 0.000 0.297 41 A C -1.376 176.116 177.584 -0.154 0.000 1.050 41 A CA -0.658 51.237 52.037 -0.237 0.000 0.694 41 A CB 1.879 20.643 19.000 -0.392 0.000 1.277 41 A HN 0.230 nan 8.150 nan 0.000 0.400 42 V N 2.197 122.003 119.914 -0.179 0.000 2.487 42 V HA 0.484 4.604 4.120 0.000 0.000 0.298 42 V C -0.950 175.258 176.094 0.189 0.000 1.028 42 V CA -0.363 61.955 62.300 0.030 0.000 0.860 42 V CB 1.616 33.424 31.823 -0.026 0.000 0.991 42 V HN 0.945 nan 8.190 nan 0.000 0.427 43 W N 8.663 130.096 121.300 0.221 0.000 2.308 43 W HA 0.653 5.313 4.660 0.000 0.000 0.311 43 W C -0.282 176.483 176.519 0.411 0.000 1.088 43 W CA -1.908 55.667 57.345 0.383 0.000 1.309 43 W CB 0.492 30.255 29.460 0.505 0.000 1.229 43 W HN 0.621 nan 8.180 nan 0.000 0.427 44 I N 6.352 127.251 120.570 0.549 0.000 2.612 44 I HA 0.578 4.748 4.170 0.000 0.000 0.295 44 I C -1.801 174.351 176.117 0.058 0.000 1.011 44 I CA -2.456 59.027 61.300 0.306 0.000 1.326 44 I CB 0.974 39.163 38.000 0.315 0.000 1.427 44 I HN 0.220 nan 8.210 nan 0.000 0.537 45 P HA 0.255 nan 4.420 nan 0.000 0.273 45 P C -2.621 174.257 177.300 -0.704 0.000 1.250 45 P CA -1.497 60.757 63.100 -1.411 0.000 0.793 45 P CB -0.592 29.681 31.700 -2.379 0.000 1.011 46 P HA -0.078 nan 4.420 nan 0.000 0.259 46 P C 0.399 177.184 177.300 -0.859 0.000 1.163 46 P CA 0.911 63.289 63.100 -1.204 0.000 0.760 46 P CB -0.178 30.730 31.700 -1.320 0.000 0.762 47 A N 3.538 125.928 122.820 -0.716 0.000 2.238 47 A HA 0.115 4.435 4.320 0.000 0.000 0.210 47 A C 0.218 177.841 177.584 0.066 0.000 1.179 47 A CA -0.078 51.956 52.037 -0.006 0.000 0.827 47 A CB -0.591 18.511 19.000 0.169 0.000 0.856 47 A HN 0.675 nan 8.150 nan 0.000 0.488 48 W N -0.963 120.471 121.300 0.223 0.000 2.367 48 W HA 0.709 5.370 4.660 0.000 0.000 0.369 48 W C -0.023 176.576 176.519 0.134 0.000 1.276 48 W CA -1.895 55.552 57.345 0.170 0.000 1.415 48 W CB 0.269 29.764 29.460 0.060 0.000 1.306 48 W HN -0.146 nan 8.180 nan 0.000 0.669 49 K N 1.137 121.803 120.400 0.443 0.000 2.368 49 K HA 0.437 4.757 4.320 0.000 0.000 0.282 49 K C 0.265 177.101 176.600 0.393 0.000 1.035 49 K CA 0.347 56.842 56.287 0.348 0.000 0.973 49 K CB 0.473 33.226 32.500 0.422 0.000 0.957 49 K HN 0.717 nan 8.250 nan 0.000 0.474 50 G N 1.820 110.740 108.800 0.199 0.000 2.583 50 G HA2 0.445 4.405 3.960 0.000 0.000 0.280 50 G HA3 0.445 4.405 3.960 0.000 0.000 0.280 50 G C 0.426 175.370 174.900 0.074 0.000 1.376 50 G CA -0.167 45.023 45.100 0.149 0.000 1.043 50 G HN 0.696 nan 8.290 nan 0.000 0.538 51 A N -1.160 121.642 122.820 -0.030 0.000 2.121 51 A HA 0.351 4.671 4.320 0.000 0.000 0.218 51 A C 1.465 178.949 177.584 -0.166 0.000 1.154 51 A CA 1.858 53.811 52.037 -0.139 0.000 0.679 51 A CB -0.602 18.293 19.000 -0.175 0.000 0.795 51 A HN 1.654 nan 8.150 nan 0.000 0.458 52 S N -3.346 112.282 115.700 -0.120 0.000 2.656 52 S HA 0.373 4.843 4.470 0.000 0.000 0.273 52 S C 0.349 174.880 174.600 -0.115 0.000 1.168 52 S CA 0.101 58.229 58.200 -0.121 0.000 0.817 52 S CB 0.931 64.062 63.200 -0.115 0.000 1.146 52 S HN 0.225 nan 8.310 nan 0.000 0.475 53 Q N 0.803 120.535 119.800 -0.113 0.000 2.119 53 Q HA -0.152 4.188 4.340 0.000 0.000 0.201 53 Q C 1.005 176.883 176.000 -0.204 0.000 0.972 53 Q CA 2.207 57.930 55.803 -0.132 0.000 0.847 53 Q CB -0.401 28.274 28.738 -0.106 0.000 0.903 53 Q HN 0.832 nan 8.270 nan 0.000 0.433 54 N N 0.207 118.793 118.700 -0.191 0.000 2.370 54 N HA -0.041 4.699 4.740 0.000 0.000 0.198 54 N C -0.468 174.871 175.510 -0.285 0.000 1.156 54 N CA 0.123 53.028 53.050 -0.242 0.000 0.839 54 N CB -0.005 38.379 38.487 -0.171 0.000 0.989 54 N HN 0.115 nan 8.380 nan 0.000 0.468 55 D N 0.305 120.551 120.400 -0.257 0.000 2.389 55 D HA -0.000 4.640 4.640 0.000 0.000 0.247 55 D C 1.047 177.106 176.300 -0.403 0.000 1.128 55 D CA -0.163 53.685 54.000 -0.253 0.000 0.884 55 D CB 1.711 42.422 40.800 -0.147 0.000 1.194 55 D HN -0.145 nan 8.370 nan 0.000 0.441 56 V N 3.462 123.071 119.914 -0.508 0.000 2.720 56 V HA -0.026 4.094 4.120 0.000 0.000 0.256 56 V C 1.859 177.652 176.094 -0.503 0.000 1.082 56 V CA 1.798 63.731 62.300 -0.612 0.000 1.101 56 V CB -0.435 30.802 31.823 -0.977 0.000 0.693 56 V HN 0.950 nan 8.190 nan 0.000 0.479 57 G N -2.098 106.467 108.800 -0.392 0.000 2.336 57 G HA2 -0.248 3.712 3.960 0.000 0.000 0.194 57 G HA3 -0.248 3.712 3.960 0.000 0.000 0.194 57 G C 0.510 175.325 174.900 -0.140 0.000 0.999 57 G CA 0.160 45.036 45.100 -0.374 0.000 0.669 57 G HN 0.390 nan 8.290 nan 0.000 0.482 58 Y N 1.284 121.684 120.300 0.166 0.000 2.516 58 Y HA 0.316 4.866 4.550 0.000 0.000 0.291 58 Y C 2.418 178.540 175.900 0.370 0.000 1.131 58 Y CA 0.914 59.213 58.100 0.332 0.000 1.281 58 Y CB 0.116 38.800 38.460 0.373 0.000 1.013 58 Y HN 0.323 nan 8.280 nan 0.000 0.554 59 G N 0.537 109.510 108.800 0.289 0.000 3.717 59 G HA2 0.388 4.348 3.960 0.000 0.000 0.258 59 G HA3 0.388 4.348 3.960 0.000 0.000 0.258 59 G C 0.034 174.919 174.900 -0.026 0.000 1.088 59 G CA -0.160 44.927 45.100 -0.023 0.000 1.737 59 G HN 0.330 nan 8.290 nan 0.000 0.648 60 A N 0.789 123.675 122.820 0.109 0.000 2.553 60 A HA 0.231 4.551 4.320 0.000 0.000 0.258 60 A C 0.627 178.193 177.584 -0.030 0.000 1.069 60 A CA 0.035 52.102 52.037 0.051 0.000 0.767 60 A CB 0.138 18.978 19.000 -0.266 0.000 0.997 60 A HN 0.739 nan 8.150 nan 0.000 0.512 61 Y N 2.125 122.419 120.300 -0.009 0.000 2.284 61 Y HA 0.237 4.787 4.550 0.000 0.000 0.293 61 Y C 0.221 176.188 175.900 0.112 0.000 1.140 61 Y CA 1.059 59.225 58.100 0.111 0.000 1.153 61 Y CB 0.558 39.121 38.460 0.171 0.000 1.114 61 Y HN 0.543 nan 8.280 nan 0.000 0.521 62 D N 0.269 120.539 120.400 -0.218 0.000 2.421 62 D HA 0.222 4.862 4.640 0.000 0.000 0.254 62 D C 0.277 176.397 176.300 -0.300 0.000 1.238 62 D CA -0.146 53.576 54.000 -0.462 0.000 0.919 62 D CB 0.746 41.250 40.800 -0.493 0.000 1.152 62 D HN 0.342 nan 8.370 nan 0.000 0.552 63 L N 2.529 123.369 121.223 -0.637 0.000 2.450 63 L HA -0.094 4.246 4.340 0.000 0.000 0.224 63 L C 0.909 177.686 176.870 -0.155 0.000 1.149 63 L CA 0.799 55.209 54.840 -0.718 0.000 0.816 63 L CB -0.265 40.731 42.059 -1.771 0.000 0.932 63 L HN 0.477 nan 8.230 nan 0.000 0.449 64 Y N -1.523 118.700 120.300 -0.129 0.000 2.457 64 Y HA 0.101 4.651 4.550 0.000 0.000 0.263 64 Y C 0.639 176.696 175.900 0.262 0.000 1.164 64 Y CA -0.469 57.578 58.100 -0.088 0.000 1.274 64 Y CB 0.234 38.450 38.460 -0.406 0.000 1.097 64 Y HN 0.000 nan 8.280 nan 0.000 0.523 65 D N 0.588 121.243 120.400 0.426 0.000 2.477 65 D HA 0.220 4.860 4.640 0.000 0.000 0.239 65 D C -0.301 176.288 176.300 0.481 0.000 1.102 65 D CA -0.088 54.252 54.000 0.568 0.000 0.901 65 D CB 0.327 41.430 40.800 0.505 0.000 1.026 65 D HN 0.190 nan 8.370 nan 0.000 0.515 66 L N 3.054 124.550 121.223 0.454 0.000 2.968 66 L HA 0.348 4.688 4.340 0.000 0.000 0.235 66 L C 1.294 178.315 176.870 0.251 0.000 1.323 66 L CA -0.225 54.831 54.840 0.360 0.000 1.159 66 L CB -0.140 42.114 42.059 0.326 0.000 1.523 66 L HN 0.679 nan 8.230 nan 0.000 0.468 67 G N 0.823 109.771 108.800 0.246 0.000 2.204 67 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 67 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 67 G C 0.463 175.414 174.900 0.085 0.000 1.062 67 G CA 0.515 45.723 45.100 0.180 0.000 0.798 67 G HN 0.618 nan 8.290 nan 0.000 0.496 68 E N -1.363 118.845 120.200 0.012 0.000 2.421 68 E HA 0.391 4.741 4.350 0.000 0.000 0.209 68 E C 0.081 176.393 176.600 -0.480 0.000 0.871 68 E CA -0.258 55.968 56.400 -0.289 0.000 1.064 68 E CB 0.427 29.837 29.700 -0.484 0.000 1.075 68 E HN 0.363 nan 8.360 nan 0.000 0.513 69 F N 1.115 121.175 119.950 0.183 0.000 2.522 69 F HA 0.349 4.876 4.527 0.000 0.000 0.324 69 F C 0.269 176.158 175.800 0.149 0.000 1.077 69 F CA -1.329 56.767 58.000 0.160 0.000 0.944 69 F CB 1.023 40.129 39.000 0.176 0.000 1.175 69 F HN -0.188 nan 8.300 nan 0.000 0.468 70 N N 3.147 122.034 118.700 0.312 0.000 2.434 70 N HA 0.086 4.826 4.740 0.000 0.000 0.273 70 N C -1.257 174.383 175.510 0.216 0.000 1.210 70 N CA 0.259 53.432 53.050 0.205 0.000 0.992 70 N CB -0.169 38.409 38.487 0.152 0.000 1.355 70 N HN 0.647 nan 8.380 nan 0.000 0.495 71 Q N 2.082 122.010 119.800 0.212 0.000 2.345 71 Q HA 0.291 4.631 4.340 0.000 0.000 0.275 71 Q C -0.350 175.696 176.000 0.077 0.000 1.063 71 Q CA -0.904 55.017 55.803 0.196 0.000 0.819 71 Q CB 1.768 30.739 28.738 0.389 0.000 1.356 71 Q HN 0.204 nan 8.270 nan 0.000 0.418 72 K N 0.017 120.392 120.400 -0.040 0.000 3.230 72 K HA -0.194 4.126 4.320 0.000 0.000 0.285 72 K C 0.432 176.996 176.600 -0.059 0.000 1.196 72 K CA 1.032 57.247 56.287 -0.120 0.000 0.838 72 K CB -1.920 30.475 32.500 -0.174 0.000 1.262 72 K HN 1.264 nan 8.250 nan 0.000 0.492 73 G N -0.767 108.022 108.800 -0.019 0.000 2.147 73 G HA2 -0.314 3.646 3.960 0.000 0.000 0.244 73 G HA3 -0.314 3.646 3.960 0.000 0.000 0.244 73 G C 0.065 174.967 174.900 0.002 0.000 1.005 73 G CA 1.296 46.391 45.100 -0.009 0.000 0.713 73 G HN 0.865 nan 8.290 nan 0.000 0.515 74 T N -2.824 111.745 114.554 0.025 0.000 2.830 74 T HA 0.501 4.851 4.350 0.000 0.000 0.322 74 T C 0.877 175.619 174.700 0.071 0.000 1.501 74 T CA 0.431 62.550 62.100 0.031 0.000 1.036 74 T CB 1.579 70.448 68.868 0.003 0.000 1.379 74 T HN 0.516 nan 8.240 nan 0.000 0.493 75 V N 2.441 122.396 119.914 0.068 0.000 2.521 75 V HA 0.253 4.373 4.120 0.000 0.000 0.239 75 V C 1.454 177.603 176.094 0.092 0.000 1.053 75 V CA 0.930 63.285 62.300 0.091 0.000 1.073 75 V CB -0.429 31.435 31.823 0.067 0.000 0.746 75 V HN 0.867 nan 8.190 nan 0.000 0.476 76 R N 1.757 122.296 120.500 0.066 0.000 2.707 76 R HA 0.293 4.633 4.340 0.000 0.000 0.270 76 R C 0.376 176.707 176.300 0.052 0.000 1.083 76 R CA 0.327 56.472 56.100 0.076 0.000 1.182 76 R CB 0.162 30.494 30.300 0.054 0.000 1.084 76 R HN 0.394 nan 8.270 nan 0.000 0.528 77 T N -1.851 112.742 114.554 0.064 0.000 2.867 77 T HA 0.128 4.478 4.350 0.000 0.000 0.286 77 T C 1.050 175.617 174.700 -0.223 0.000 1.022 77 T CA -0.612 61.467 62.100 -0.035 0.000 0.933 77 T CB 0.730 69.627 68.868 0.050 0.000 1.280 77 T HN 0.770 nan 8.240 nan 0.000 0.566 78 K N -0.707 119.389 120.400 -0.507 0.000 2.147 78 K HA -0.127 4.193 4.320 0.000 0.000 0.205 78 K C 1.471 177.593 176.600 -0.797 0.000 1.049 78 K CA 1.339 57.187 56.287 -0.732 0.000 0.936 78 K CB -0.332 31.514 32.500 -1.090 0.000 0.722 78 K HN 0.692 nan 8.250 nan 0.000 0.446 79 Y N -0.545 119.503 120.300 -0.420 0.000 2.517 79 Y HA 0.282 4.832 4.550 0.000 0.000 0.281 79 Y C 1.203 176.751 175.900 -0.586 0.000 1.125 79 Y CA 0.341 58.004 58.100 -0.727 0.000 1.283 79 Y CB 0.695 38.251 38.460 -1.507 0.000 1.042 79 Y HN 0.251 nan 8.280 nan 0.000 0.547 80 G N -0.546 108.233 108.800 -0.034 0.000 2.340 80 G HA2 0.183 4.143 3.960 0.000 0.000 0.282 80 G HA3 0.183 4.143 3.960 0.000 0.000 0.282 80 G C -0.604 174.521 174.900 0.374 0.000 1.312 80 G CA -0.632 44.610 45.100 0.236 0.000 0.942 80 G HN 0.186 nan 8.290 nan 0.000 0.495 81 T N -1.921 112.814 114.554 0.301 0.000 2.824 81 T HA 0.536 4.886 4.350 0.000 0.000 0.277 81 T C 1.536 176.314 174.700 0.131 0.000 0.975 81 T CA 0.555 62.765 62.100 0.182 0.000 0.966 81 T CB 1.840 70.767 68.868 0.098 0.000 1.054 81 T HN 0.914 nan 8.240 nan 0.000 0.533 82 R N 0.269 120.801 120.500 0.054 0.000 2.081 82 R HA -0.121 4.219 4.340 0.000 0.000 0.235 82 R C 2.498 178.752 176.300 -0.076 0.000 1.131 82 R CA 1.999 58.087 56.100 -0.021 0.000 0.960 82 R CB -0.741 29.561 30.300 0.003 0.000 0.856 82 R HN 0.826 nan 8.270 nan 0.000 0.436 83 S N 0.025 115.705 115.700 -0.034 0.000 2.383 83 S HA -0.174 4.296 4.470 0.000 0.000 0.227 83 S C 1.920 176.492 174.600 -0.047 0.000 1.026 83 S CA 0.995 59.171 58.200 -0.041 0.000 0.981 83 S CB -0.234 62.958 63.200 -0.013 0.000 0.818 83 S HN 0.475 nan 8.310 nan 0.000 0.472 84 Q N 0.360 120.159 119.800 -0.000 0.000 2.119 84 Q HA 0.029 4.369 4.340 0.000 0.000 0.201 84 Q C 2.250 178.209 176.000 -0.069 0.000 0.972 84 Q CA 1.328 57.159 55.803 0.047 0.000 0.847 84 Q CB -0.386 28.471 28.738 0.197 0.000 0.903 84 Q HN 0.560 nan 8.270 nan 0.000 0.433 85 L N 0.837 121.852 121.223 -0.346 0.000 2.017 85 L HA -0.215 4.125 4.340 0.000 0.000 0.208 85 L C 2.025 178.603 176.870 -0.486 0.000 1.073 85 L CA 1.863 56.173 54.840 -0.882 0.000 0.745 85 L CB -0.445 40.875 42.059 -1.231 0.000 0.894 85 L HN 0.151 nan 8.230 nan 0.000 0.432 86 Q N -0.520 119.092 119.800 -0.313 0.000 2.224 86 Q HA -0.118 4.222 4.340 0.000 0.000 0.203 86 Q C 2.177 178.077 176.000 -0.166 0.000 0.970 86 Q CA 1.344 57.011 55.803 -0.226 0.000 0.865 86 Q CB -0.290 28.348 28.738 -0.167 0.000 0.922 86 Q HN 0.726 nan 8.270 nan 0.000 0.445 87 A N 0.935 123.678 122.820 -0.129 0.000 1.968 87 A HA 0.004 4.324 4.320 0.000 0.000 0.217 87 A C 2.251 179.783 177.584 -0.087 0.000 1.169 87 A CA 1.290 53.277 52.037 -0.084 0.000 0.638 87 A CB -0.418 18.556 19.000 -0.044 0.000 0.812 87 A HN 0.364 nan 8.150 nan 0.000 0.446 88 A N -0.479 122.277 122.820 -0.106 0.000 1.897 88 A HA 0.046 4.366 4.320 0.000 0.000 0.215 88 A C 2.171 179.677 177.584 -0.131 0.000 1.181 88 A CA 1.606 53.589 52.037 -0.090 0.000 0.620 88 A CB -0.845 18.129 19.000 -0.043 0.000 0.821 88 A HN 0.343 nan 8.150 nan 0.000 0.443 89 V N -0.159 119.647 119.914 -0.180 0.000 2.407 89 V HA -0.225 3.895 4.120 0.000 0.000 0.248 89 V C 2.727 178.739 176.094 -0.136 0.000 1.055 89 V CA 2.456 64.652 62.300 -0.173 0.000 1.049 89 V CB -1.203 30.494 31.823 -0.210 0.000 0.662 89 V HN 0.598 nan 8.190 nan 0.000 0.455 90 T N -0.810 113.671 114.554 -0.122 0.000 2.746 90 T HA -0.207 4.143 4.350 0.000 0.000 0.267 90 T C 2.158 176.807 174.700 -0.084 0.000 1.039 90 T CA 1.889 63.931 62.100 -0.097 0.000 1.142 90 T CB -0.307 68.510 68.868 -0.084 0.000 0.866 90 T HN 0.508 nan 8.240 nan 0.000 0.444 91 S N 0.632 116.283 115.700 -0.081 0.000 2.370 91 S HA -0.038 4.432 4.470 0.000 0.000 0.226 91 S C 2.012 176.565 174.600 -0.079 0.000 1.033 91 S CA 0.988 59.146 58.200 -0.071 0.000 1.011 91 S CB -0.479 62.681 63.200 -0.065 0.000 0.852 91 S HN 0.420 nan 8.310 nan 0.000 0.457 92 L N 0.798 121.963 121.223 -0.098 0.000 2.056 92 L HA -0.063 4.277 4.340 0.000 0.000 0.207 92 L C 2.773 179.587 176.870 -0.093 0.000 1.078 92 L CA 1.072 55.850 54.840 -0.104 0.000 0.749 92 L CB -0.436 41.549 42.059 -0.124 0.000 0.901 92 L HN 0.197 nan 8.230 nan 0.000 0.433 93 K N 0.076 120.420 120.400 -0.093 0.000 2.057 93 K HA -0.111 4.209 4.320 0.000 0.000 0.207 93 K C 1.816 178.373 176.600 -0.070 0.000 1.049 93 K CA 1.120 57.356 56.287 -0.085 0.000 0.931 93 K CB -0.619 31.827 32.500 -0.089 0.000 0.714 93 K HN 0.291 nan 8.250 nan 0.000 0.440 94 N N 1.360 120.021 118.700 -0.066 0.000 2.289 94 N HA -0.108 4.632 4.740 0.000 0.000 0.184 94 N C 0.951 176.431 175.510 -0.050 0.000 1.016 94 N CA 0.741 53.759 53.050 -0.054 0.000 0.872 94 N CB -0.193 38.264 38.487 -0.050 0.000 0.973 94 N HN 0.249 nan 8.380 nan 0.000 0.433 95 N N 0.002 118.669 118.700 -0.054 0.000 2.268 95 N HA 0.085 4.825 4.740 0.000 0.000 0.204 95 N C 0.476 175.956 175.510 -0.050 0.000 1.124 95 N CA 0.314 53.335 53.050 -0.048 0.000 0.838 95 N CB 0.671 39.129 38.487 -0.049 0.000 0.994 95 N HN 0.195 nan 8.380 nan 0.000 0.489 96 G N 1.521 110.288 108.800 -0.055 0.000 2.198 96 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 96 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 96 G C -0.003 174.859 174.900 -0.063 0.000 1.025 96 G CA 0.001 45.068 45.100 -0.055 0.000 0.769 96 G HN 0.337 nan 8.290 nan 0.000 0.507 97 I N 0.228 120.752 120.570 -0.077 0.000 2.359 97 I HA 0.270 4.440 4.170 0.000 0.000 0.294 97 I C 0.828 176.873 176.117 -0.119 0.000 0.987 97 I CA -0.715 60.529 61.300 -0.094 0.000 1.225 97 I CB 1.376 39.316 38.000 -0.100 0.000 1.366 97 I HN 0.128 nan 8.210 nan 0.000 0.466 98 Q N 3.996 123.706 119.800 -0.151 0.000 2.354 98 Q HA 0.412 4.752 4.340 0.000 0.000 0.244 98 Q C -1.005 174.825 176.000 -0.284 0.000 0.969 98 Q CA -0.419 55.270 55.803 -0.190 0.000 0.885 98 Q CB 2.088 30.715 28.738 -0.185 0.000 1.241 98 Q HN 0.405 nan 8.270 nan 0.000 0.461 99 V N 3.011 122.807 119.914 -0.198 0.000 2.409 99 V HA 0.270 4.391 4.120 0.000 0.000 0.291 99 V C -1.291 174.838 176.094 0.058 0.000 1.020 99 V CA -0.815 61.407 62.300 -0.130 0.000 0.848 99 V CB 0.663 32.427 31.823 -0.097 0.000 0.990 99 V HN 0.569 nan 8.190 nan 0.000 0.430 100 Y N 2.577 122.963 120.300 0.142 0.000 2.334 100 Y HA 0.715 5.265 4.550 0.000 0.000 0.336 100 Y C 0.793 176.874 175.900 0.302 0.000 0.960 100 Y CA -1.375 56.838 58.100 0.188 0.000 1.164 100 Y CB 1.781 40.411 38.460 0.282 0.000 1.155 100 Y HN 0.702 nan 8.280 nan 0.000 0.478 101 G N 2.397 111.456 108.800 0.432 0.000 2.377 101 G HA2 0.195 4.155 3.960 0.000 0.000 0.299 101 G HA3 0.195 4.155 3.960 0.000 0.000 0.299 101 G C -0.480 174.865 174.900 0.741 0.000 1.150 101 G CA -0.487 44.931 45.100 0.530 0.000 0.847 101 G HN 0.508 nan 8.290 nan 0.000 0.501 102 D N -0.253 120.585 120.400 0.730 0.000 2.368 102 D HA 0.295 4.935 4.640 0.000 0.000 0.240 102 D C -0.373 176.442 176.300 0.858 0.000 1.169 102 D CA 0.278 54.700 54.000 0.703 0.000 0.906 102 D CB 1.648 42.812 40.800 0.606 0.000 1.187 102 D HN 0.024 nan 8.370 nan 0.000 0.435 103 V N 2.555 122.859 119.914 0.651 0.000 2.524 103 V HA 0.225 4.345 4.120 0.000 0.000 0.297 103 V C -0.264 175.932 176.094 0.170 0.000 1.035 103 V CA -0.819 61.735 62.300 0.424 0.000 0.867 103 V CB 2.015 33.931 31.823 0.156 0.000 1.004 103 V HN 0.314 nan 8.190 nan 0.000 0.426 104 V N 6.564 126.407 119.914 -0.119 0.000 2.325 104 V HA 0.405 4.525 4.120 0.000 0.000 0.280 104 V C 0.340 176.077 176.094 -0.593 0.000 1.016 104 V CA -0.036 62.116 62.300 -0.248 0.000 0.818 104 V CB 1.339 33.119 31.823 -0.073 0.000 1.019 104 V HN 0.934 nan 8.190 nan 0.000 0.434 105 M N 2.105 121.418 119.600 -0.478 0.000 2.300 105 M HA 0.191 4.671 4.480 0.000 0.000 0.313 105 M C 1.523 177.593 176.300 -0.384 0.000 0.988 105 M CA 0.043 55.046 55.300 -0.495 0.000 1.012 105 M CB 0.261 32.610 32.600 -0.419 0.000 1.586 105 M HN 0.647 nan 8.290 nan 0.000 0.562 106 N N 1.448 119.923 118.700 -0.375 0.000 2.216 106 N HA -0.061 4.680 4.740 0.000 0.000 0.183 106 N C 0.381 175.793 175.510 -0.162 0.000 1.017 106 N CA 1.002 53.914 53.050 -0.231 0.000 0.861 106 N CB 0.387 38.794 38.487 -0.133 0.000 0.986 106 N HN 0.474 nan 8.380 nan 0.000 0.428 107 H N -3.080 115.920 119.070 -0.117 0.000 2.960 107 H HA 0.498 5.054 4.556 0.000 0.000 0.323 107 H C -1.246 173.975 175.328 -0.178 0.000 1.326 107 H CA -1.039 54.970 56.048 -0.065 0.000 1.124 107 H CB 0.872 30.639 29.762 0.007 0.000 1.853 107 H HN -0.182 nan 8.280 nan 0.000 0.536 108 K N 0.631 121.067 120.400 0.060 0.000 2.507 108 K HA 0.486 4.806 4.320 0.000 0.000 0.251 108 K C -0.601 176.022 176.600 0.040 0.000 0.943 108 K CA -0.612 55.578 56.287 -0.161 0.000 0.794 108 K CB 2.911 35.008 32.500 -0.672 0.000 1.188 108 K HN 0.808 nan 8.250 nan 0.000 0.428 109 G N -0.676 108.030 108.800 -0.155 0.000 2.597 109 G HA2 0.542 4.502 3.960 0.000 0.000 0.317 109 G HA3 0.542 4.502 3.960 0.000 0.000 0.317 109 G C 0.372 175.249 174.900 -0.039 0.000 1.230 109 G CA -0.384 44.437 45.100 -0.464 0.000 0.996 109 G HN 0.706 nan 8.290 nan 0.000 0.490 110 G N -1.347 107.351 108.800 -0.169 0.000 2.221 110 G HA2 0.187 4.148 3.960 0.000 0.000 0.265 110 G HA3 0.187 4.148 3.960 0.000 0.000 0.265 110 G C 0.727 175.513 174.900 -0.191 0.000 1.041 110 G CA 0.580 45.563 45.100 -0.194 0.000 0.807 110 G HN 1.955 nan 8.290 nan 0.000 0.502 111 A N -0.390 122.230 122.820 -0.334 0.000 2.586 111 A HA 0.377 4.697 4.320 0.000 0.000 0.231 111 A C 1.465 178.868 177.584 -0.302 0.000 1.055 111 A CA 1.016 52.518 52.037 -0.893 0.000 0.756 111 A CB 0.329 18.999 19.000 -0.551 0.000 0.988 111 A HN 0.345 nan 8.150 nan 0.000 0.509 112 D N 0.397 120.610 120.400 -0.312 0.000 2.144 112 D HA 0.191 4.831 4.640 0.000 0.000 0.200 112 D C 0.835 177.190 176.300 0.092 0.000 0.978 112 D CA 2.039 56.005 54.000 -0.057 0.000 0.833 112 D CB 0.003 40.777 40.800 -0.044 0.000 0.961 112 D HN 0.786 nan 8.370 nan 0.000 0.470 113 A N -0.355 122.503 122.820 0.064 0.000 2.581 113 A HA 0.535 4.855 4.320 0.000 0.000 0.290 113 A C -0.300 177.141 177.584 -0.238 0.000 1.119 113 A CA -0.527 51.500 52.037 -0.017 0.000 0.670 113 A CB 1.118 20.079 19.000 -0.065 0.000 1.280 113 A HN 0.042 nan 8.150 nan 0.000 0.425 114 T N -1.307 112.906 114.554 -0.569 0.000 2.912 114 T HA 0.784 5.134 4.350 0.000 0.000 0.280 114 T C -0.336 174.174 174.700 -0.317 0.000 0.989 114 T CA -0.451 61.273 62.100 -0.627 0.000 0.995 114 T CB 1.326 69.639 68.868 -0.926 0.000 1.077 114 T HN 0.632 nan 8.240 nan 0.000 0.531 115 E N 0.345 120.384 120.200 -0.269 0.000 2.383 115 E HA 0.359 4.709 4.350 0.000 0.000 0.275 115 E C -0.850 175.573 176.600 -0.295 0.000 0.918 115 E CA -1.100 55.181 56.400 -0.199 0.000 0.764 115 E CB 1.828 31.488 29.700 -0.067 0.000 1.252 115 E HN 0.444 nan 8.360 nan 0.000 0.449 116 M N 2.290 121.711 119.600 -0.299 0.000 2.105 116 M HA 0.310 4.790 4.480 0.000 0.000 0.350 116 M C -0.644 175.334 176.300 -0.536 0.000 1.308 116 M CA -0.463 54.625 55.300 -0.353 0.000 1.108 116 M CB 0.256 32.697 32.600 -0.265 0.000 1.622 116 M HN 0.230 nan 8.290 nan 0.000 0.468 117 V N 4.609 124.146 119.914 -0.628 0.000 2.709 117 V HA 0.529 4.649 4.120 0.000 0.000 0.308 117 V C 0.177 175.854 176.094 -0.695 0.000 1.062 117 V CA -1.169 60.578 62.300 -0.922 0.000 0.901 117 V CB 2.425 33.511 31.823 -1.228 0.000 1.003 117 V HN 0.648 nan 8.190 nan 0.000 0.425 118 R N 2.583 122.679 120.500 -0.674 0.000 2.340 118 R HA 0.825 5.165 4.340 0.000 0.000 0.300 118 R C -0.095 176.010 176.300 -0.325 0.000 1.069 118 R CA 0.085 55.933 56.100 -0.419 0.000 0.984 118 R CB 1.098 31.205 30.300 -0.321 0.000 1.003 118 R HN 0.979 nan 8.270 nan 0.000 0.459 119 A N 1.654 124.315 122.820 -0.264 0.000 2.564 119 A HA 0.621 4.941 4.320 0.000 0.000 0.291 119 A C -1.057 176.451 177.584 -0.127 0.000 1.102 119 A CA -0.634 51.338 52.037 -0.108 0.000 0.660 119 A CB 1.320 20.345 19.000 0.042 0.000 1.283 119 A HN 0.434 nan 8.150 nan 0.000 0.430 120 V N -2.028 117.890 119.914 0.007 0.000 2.914 120 V HA 0.798 4.919 4.120 0.000 0.000 0.314 120 V C -0.558 175.608 176.094 0.120 0.000 1.084 120 V CA -0.792 61.551 62.300 0.072 0.000 0.963 120 V CB 1.583 33.445 31.823 0.065 0.000 1.025 120 V HN 0.917 nan 8.190 nan 0.000 0.432 121 E N 1.236 121.523 120.200 0.145 0.000 2.313 121 E HA 0.625 4.975 4.350 0.000 0.000 0.272 121 E C -0.472 176.148 176.600 0.033 0.000 1.038 121 E CA -0.631 55.781 56.400 0.020 0.000 0.863 121 E CB 2.101 31.802 29.700 0.002 0.000 1.060 121 E HN 0.900 nan 8.360 nan 0.000 0.402 122 V N -0.165 119.759 119.914 0.016 0.000 3.046 122 V HA 0.444 4.564 4.120 0.000 0.000 0.316 122 V C -0.199 175.907 176.094 0.019 0.000 1.104 122 V CA -1.275 61.072 62.300 0.079 0.000 1.006 122 V CB 1.879 33.843 31.823 0.235 0.000 1.058 122 V HN 0.536 nan 8.190 nan 0.000 0.440 123 N N 2.586 121.303 118.700 0.028 0.000 2.431 123 N HA 0.300 5.040 4.740 0.000 0.000 0.265 123 N C -1.817 173.676 175.510 -0.028 0.000 1.184 123 N CA -1.776 51.271 53.050 -0.005 0.000 0.943 123 N CB 1.280 39.769 38.487 0.002 0.000 1.080 123 N HN 0.464 nan 8.380 nan 0.000 0.477 124 P HA -0.071 nan 4.420 nan 0.000 0.219 124 P C 0.275 177.522 177.300 -0.088 0.000 1.146 124 P CA 1.122 64.181 63.100 -0.068 0.000 0.808 124 P CB 0.339 32.006 31.700 -0.055 0.000 0.779 125 N N -1.738 116.920 118.700 -0.071 0.000 2.280 125 N HA 0.018 4.759 4.740 0.000 0.000 0.192 125 N C 0.131 175.594 175.510 -0.078 0.000 1.109 125 N CA 0.506 53.506 53.050 -0.083 0.000 0.855 125 N CB -0.128 38.327 38.487 -0.054 0.000 0.974 125 N HN 0.099 nan 8.380 nan 0.000 0.482 126 N N 0.330 118.994 118.700 -0.059 0.000 2.969 126 N HA 0.152 4.892 4.740 0.000 0.000 0.230 126 N C -0.018 175.490 175.510 -0.003 0.000 1.397 126 N CA -0.183 52.846 53.050 -0.034 0.000 0.762 126 N CB 0.440 38.920 38.487 -0.011 0.000 1.495 126 N HN -0.310 nan 8.380 nan 0.000 0.583 127 R N 0.501 120.983 120.500 -0.030 0.000 2.293 127 R HA 0.161 4.501 4.340 0.000 0.000 0.219 127 R C 1.031 177.467 176.300 0.228 0.000 1.091 127 R CA 0.598 56.721 56.100 0.038 0.000 1.004 127 R CB -0.100 30.039 30.300 -0.269 0.000 0.865 127 R HN 0.462 nan 8.270 nan 0.000 0.469 128 N N 0.427 119.213 118.700 0.142 0.000 2.515 128 N HA -0.087 4.653 4.740 0.000 0.000 0.185 128 N C -0.011 175.569 175.510 0.117 0.000 1.109 128 N CA 0.389 53.534 53.050 0.160 0.000 0.903 128 N CB 0.258 38.792 38.487 0.077 0.000 0.969 128 N HN 0.381 nan 8.380 nan 0.000 0.450 129 Q N 1.289 121.147 119.800 0.098 0.000 2.347 129 Q HA 0.175 4.515 4.340 0.000 0.000 0.262 129 Q C -1.120 174.926 176.000 0.077 0.000 0.980 129 Q CA -0.396 55.447 55.803 0.068 0.000 0.867 129 Q CB 1.002 29.763 28.738 0.039 0.000 1.242 129 Q HN 0.082 nan 8.270 nan 0.000 0.453 130 E N 2.392 122.632 120.200 0.067 0.000 2.316 130 E HA 0.070 4.420 4.350 0.000 0.000 0.275 130 E C 0.527 177.156 176.600 0.048 0.000 1.029 130 E CA -0.164 56.274 56.400 0.064 0.000 0.871 130 E CB 1.334 31.065 29.700 0.053 0.000 1.022 130 E HN 0.629 nan 8.360 nan 0.000 0.418 131 V N -0.176 119.766 119.914 0.048 0.000 3.578 131 V HA 0.166 4.286 4.120 0.000 0.000 0.290 131 V C 0.406 176.526 176.094 0.043 0.000 1.376 131 V CA 0.300 62.620 62.300 0.035 0.000 1.083 131 V CB -0.003 31.831 31.823 0.019 0.000 0.911 131 V HN 0.664 nan 8.190 nan 0.000 0.433 132 T N -3.288 111.309 114.554 0.072 0.000 2.812 132 T HA 0.762 5.112 4.350 0.000 0.000 0.294 132 T C 0.338 175.101 174.700 0.106 0.000 1.159 132 T CA 0.036 62.191 62.100 0.092 0.000 1.008 132 T CB 1.374 70.341 68.868 0.165 0.000 1.289 132 T HN 0.569 nan 8.240 nan 0.000 0.514 133 G N -0.551 108.313 108.800 0.106 0.000 2.508 133 G HA2 0.519 4.479 3.960 0.000 0.000 0.278 133 G HA3 0.519 4.479 3.960 0.000 0.000 0.278 133 G C -0.595 174.407 174.900 0.171 0.000 1.389 133 G CA -0.713 44.447 45.100 0.099 0.000 1.050 133 G HN 0.899 nan 8.290 nan 0.000 0.522 134 E N -0.643 119.630 120.200 0.121 0.000 2.331 134 E HA 0.469 4.819 4.350 0.000 0.000 0.272 134 E C -1.185 175.536 176.600 0.203 0.000 1.036 134 E CA -0.011 56.452 56.400 0.105 0.000 0.864 134 E CB 1.081 30.796 29.700 0.026 0.000 1.035 134 E HN 0.475 nan 8.360 nan 0.000 0.408 135 Y N -1.665 118.611 120.300 -0.041 0.000 2.702 135 Y HA 0.308 4.858 4.550 0.000 0.000 0.336 135 Y C -1.131 174.703 175.900 -0.109 0.000 1.203 135 Y CA -1.178 56.883 58.100 -0.066 0.000 1.072 135 Y CB 0.791 39.224 38.460 -0.045 0.000 1.327 135 Y HN 0.155 nan 8.280 nan 0.000 0.456 136 T N 4.718 119.240 114.554 -0.053 0.000 2.780 136 T HA 0.601 4.951 4.350 0.000 0.000 0.294 136 T C -0.027 174.529 174.700 -0.240 0.000 0.949 136 T CA -0.280 61.690 62.100 -0.217 0.000 1.074 136 T CB 0.060 68.828 68.868 -0.166 0.000 0.910 136 T HN 0.694 nan 8.240 nan 0.000 0.501 137 I N -0.179 120.150 120.570 -0.402 0.000 3.067 137 I HA 0.694 4.864 4.170 0.000 0.000 0.312 137 I C -0.339 175.554 176.117 -0.372 0.000 1.073 137 I CA -1.231 59.824 61.300 -0.409 0.000 1.016 137 I CB 2.216 39.827 38.000 -0.648 0.000 1.227 137 I HN 0.415 nan 8.210 nan 0.000 0.456 138 E N 2.416 122.410 120.200 -0.343 0.000 2.073 138 E HA 0.628 4.978 4.350 0.000 0.000 0.269 138 E C -1.113 175.289 176.600 -0.330 0.000 0.917 138 E CA -0.703 55.497 56.400 -0.334 0.000 0.757 138 E CB 1.373 30.889 29.700 -0.306 0.000 1.111 138 E HN 0.809 nan 8.360 nan 0.000 0.410 139 A N 4.155 126.802 122.820 -0.289 0.000 2.324 139 A HA 0.366 4.686 4.320 0.000 0.000 0.330 139 A C -1.267 176.244 177.584 -0.122 0.000 1.165 139 A CA -0.703 51.271 52.037 -0.104 0.000 0.813 139 A CB 0.458 19.504 19.000 0.076 0.000 1.197 139 A HN 0.738 nan 8.150 nan 0.000 0.484 140 W N 2.186 123.543 121.300 0.095 0.000 2.081 140 W HA 0.355 5.015 4.660 0.000 0.000 0.433 140 W C 0.865 177.390 176.519 0.010 0.000 0.876 140 W CA 0.463 57.824 57.345 0.026 0.000 1.631 140 W CB 0.533 30.014 29.460 0.035 0.000 1.757 140 W HN 0.788 nan 8.180 nan 0.000 0.298 141 T N -1.688 112.981 114.554 0.192 0.000 3.058 141 T HA 0.202 4.553 4.350 0.000 0.000 0.278 141 T C 0.484 175.485 174.700 0.503 0.000 0.974 141 T CA -0.563 61.726 62.100 0.314 0.000 0.893 141 T CB 0.137 69.288 68.868 0.472 0.000 1.138 141 T HN 0.221 nan 8.240 nan 0.000 0.529 142 R N 0.793 121.394 120.500 0.169 0.000 2.229 142 R HA 0.594 4.934 4.340 0.000 0.000 0.328 142 R C -1.688 174.549 176.300 -0.104 0.000 1.009 142 R CA -0.715 55.472 56.100 0.146 0.000 0.864 142 R CB 0.319 30.644 30.300 0.041 0.000 1.085 142 R HN 0.158 nan 8.270 nan 0.000 0.453 143 F N 3.244 123.202 119.950 0.013 0.000 2.460 143 F HA 0.305 4.832 4.527 0.000 0.000 0.341 143 F C 0.393 175.858 175.800 -0.559 0.000 1.130 143 F CA -0.784 57.022 58.000 -0.323 0.000 0.962 143 F CB 2.120 40.842 39.000 -0.463 0.000 1.171 143 F HN 0.551 nan 8.300 nan 0.000 0.436 144 D N 2.328 122.480 120.400 -0.412 0.000 2.479 144 D HA 0.100 4.740 4.640 0.000 0.000 0.221 144 D C -0.088 176.116 176.300 -0.160 0.000 1.104 144 D CA 0.422 54.271 54.000 -0.252 0.000 0.849 144 D CB 0.362 41.120 40.800 -0.069 0.000 1.072 144 D HN 0.389 nan 8.370 nan 0.000 0.502 145 F N 0.370 120.430 119.950 0.183 0.000 2.688 145 F HA -0.172 4.355 4.527 0.000 0.000 0.276 145 F C -1.367 174.486 175.800 0.087 0.000 1.034 145 F CA -0.427 57.661 58.000 0.146 0.000 0.991 145 F CB -1.722 37.288 39.000 0.017 0.000 1.119 145 F HN 0.107 nan 8.300 nan 0.000 0.837 146 P HA -0.168 nan 4.420 nan 0.000 0.216 146 P C 1.736 179.110 177.300 0.124 0.000 1.150 146 P CA 2.181 65.361 63.100 0.133 0.000 0.837 146 P CB 0.082 31.847 31.700 0.107 0.000 0.786 147 G N -0.497 108.405 108.800 0.172 0.000 2.650 147 G HA2 -0.150 3.810 3.960 0.000 0.000 0.214 147 G HA3 -0.150 3.810 3.960 0.000 0.000 0.214 147 G C 1.781 176.725 174.900 0.073 0.000 1.136 147 G CA 0.178 45.379 45.100 0.167 0.000 0.789 147 G HN 0.308 nan 8.290 nan 0.000 0.536 148 R N -0.771 119.661 120.500 -0.113 0.000 2.287 148 R HA 0.358 4.698 4.340 0.000 0.000 0.197 148 R C 1.660 177.720 176.300 -0.400 0.000 0.900 148 R CA 1.147 56.841 56.100 -0.678 0.000 1.052 148 R CB 0.047 29.819 30.300 -0.880 0.000 1.117 148 R HN 0.313 nan 8.270 nan 0.000 0.568 149 G N 1.354 110.080 108.800 -0.124 0.000 2.583 149 G HA2 -0.365 3.595 3.960 0.000 0.000 0.292 149 G HA3 -0.365 3.595 3.960 0.000 0.000 0.292 149 G C 0.091 174.933 174.900 -0.096 0.000 1.203 149 G CA 0.340 45.400 45.100 -0.067 0.000 0.987 149 G HN 0.425 nan 8.290 nan 0.000 0.554 150 N N 1.312 119.944 118.700 -0.113 0.000 2.230 150 N HA 0.157 4.897 4.740 0.000 0.000 0.202 150 N C 0.490 175.878 175.510 -0.203 0.000 1.119 150 N CA 0.788 53.762 53.050 -0.127 0.000 0.851 150 N CB 0.323 38.766 38.487 -0.074 0.000 0.990 150 N HN 0.558 nan 8.380 nan 0.000 0.497 151 T N 1.455 115.840 114.554 -0.280 0.000 2.871 151 T HA -0.024 4.326 4.350 0.000 0.000 0.296 151 T C 0.625 175.078 174.700 -0.412 0.000 0.998 151 T CA 0.447 62.334 62.100 -0.356 0.000 1.162 151 T CB 0.444 69.081 68.868 -0.385 0.000 0.947 151 T HN 0.379 nan 8.240 nan 0.000 0.536 152 H N -0.377 118.610 119.070 -0.138 0.000 4.737 152 H HA -0.173 4.383 4.556 0.000 0.000 0.093 152 H C 0.559 175.484 175.328 -0.671 0.000 0.595 152 H CA 1.630 57.483 56.048 -0.326 0.000 1.158 152 H CB -1.410 28.092 29.762 -0.433 0.000 0.523 152 H HN 0.686 nan 8.280 nan 0.000 0.687 153 S N -0.658 114.714 115.700 -0.548 0.000 2.560 153 S HA 0.418 4.888 4.470 0.000 0.000 0.283 153 S C 0.561 174.994 174.600 -0.277 0.000 1.141 153 S CA 0.211 58.080 58.200 -0.553 0.000 0.902 153 S CB 1.254 63.745 63.200 -1.182 0.000 1.104 153 S HN 0.456 nan 8.310 nan 0.000 0.454 154 S N 3.117 118.746 115.700 -0.118 0.000 2.556 154 S HA 0.289 4.760 4.470 0.000 0.000 0.216 154 S C 0.265 174.882 174.600 0.028 0.000 0.970 154 S CA -0.314 57.864 58.200 -0.036 0.000 0.912 154 S CB -0.386 62.796 63.200 -0.029 0.000 0.790 154 S HN 0.645 nan 8.310 nan 0.000 0.504 155 F N 4.088 123.979 119.950 -0.099 0.000 2.571 155 F HA 0.337 4.864 4.527 0.000 0.000 0.384 155 F C 0.250 176.058 175.800 0.015 0.000 1.058 155 F CA -0.029 57.902 58.000 -0.115 0.000 1.200 155 F CB 0.453 39.324 39.000 -0.214 0.000 1.077 155 F HN -0.103 nan 8.300 nan 0.000 0.558 156 K N 5.815 125.853 120.400 -0.603 0.000 2.203 156 K HA 0.258 4.578 4.320 0.000 0.000 0.251 156 K C -1.444 174.811 176.600 -0.576 0.000 0.944 156 K CA -0.523 55.596 56.287 -0.281 0.000 0.829 156 K CB 1.360 33.759 32.500 -0.168 0.000 1.125 156 K HN 0.590 nan 8.250 nan 0.000 0.430 157 W N 1.761 122.970 121.300 -0.151 0.000 2.496 157 W HA 0.453 5.113 4.660 0.000 0.000 0.327 157 W C 0.632 177.233 176.519 0.135 0.000 1.086 157 W CA -0.519 56.842 57.345 0.026 0.000 1.222 157 W CB 1.018 30.541 29.460 0.106 0.000 1.304 157 W HN 0.167 nan 8.180 nan 0.000 0.547 158 R N 1.906 122.519 120.500 0.188 0.000 2.869 158 R HA 0.203 4.543 4.340 0.000 0.000 0.263 158 R C 1.308 177.524 176.300 -0.140 0.000 1.066 158 R CA -0.821 55.162 56.100 -0.195 0.000 0.960 158 R CB 0.234 29.994 30.300 -0.901 0.000 1.221 158 R HN 0.862 nan 8.270 nan 0.000 0.474 159 W N 1.824 123.118 121.300 -0.011 0.000 2.325 159 W HA -0.266 4.394 4.660 0.000 0.000 0.299 159 W C 1.159 177.842 176.519 0.273 0.000 1.215 159 W CA 1.550 59.051 57.345 0.259 0.000 1.244 159 W CB -0.949 28.453 29.460 -0.097 0.000 1.140 159 W HN 0.723 nan 8.180 nan 0.000 0.523 160 Y N 0.058 119.736 120.300 -1.037 0.000 2.639 160 Y HA 0.044 4.595 4.550 0.000 0.000 0.297 160 Y C 1.715 177.417 175.900 -0.331 0.000 1.151 160 Y CA 1.504 59.023 58.100 -0.968 0.000 1.335 160 Y CB -1.885 35.775 38.460 -1.334 0.000 0.994 160 Y HN 0.111 nan 8.280 nan 0.000 0.548 161 H N -1.090 117.760 119.070 -0.366 0.000 2.539 161 H HA 0.243 4.799 4.556 0.000 0.000 0.269 161 H C -0.706 174.369 175.328 -0.420 0.000 0.980 161 H CA -0.350 55.412 56.048 -0.478 0.000 1.152 161 H CB 0.126 29.460 29.762 -0.712 0.000 1.407 161 H HN 0.196 nan 8.280 nan 0.000 0.564 162 F N -0.704 119.476 119.950 0.384 0.000 2.579 162 F HA 0.217 4.744 4.527 0.000 0.000 0.324 162 F C 0.724 176.682 175.800 0.262 0.000 1.058 162 F CA -1.114 57.100 58.000 0.357 0.000 0.944 162 F CB 1.493 40.754 39.000 0.434 0.000 1.245 162 F HN -0.115 nan 8.300 nan 0.000 0.477 163 D N 0.059 120.638 120.400 0.298 0.000 2.355 163 D HA 0.322 4.963 4.640 0.000 0.000 0.206 163 D C 0.738 176.765 176.300 -0.455 0.000 1.010 163 D CA 0.758 54.776 54.000 0.030 0.000 0.875 163 D CB 0.990 41.905 40.800 0.192 0.000 0.966 163 D HN 0.679 nan 8.370 nan 0.000 0.512 164 G N -0.385 108.145 108.800 -0.449 0.000 2.342 164 G HA2 0.456 4.416 3.960 0.000 0.000 0.297 164 G HA3 0.456 4.416 3.960 0.000 0.000 0.297 164 G C -1.392 173.451 174.900 -0.094 0.000 1.313 164 G CA -0.085 44.623 45.100 -0.654 0.000 0.830 164 G HN 0.135 nan 8.290 nan 0.000 0.506 165 V N -3.651 116.279 119.914 0.027 0.000 3.112 165 V HA 0.869 4.989 4.120 0.000 0.000 0.310 165 V C -0.849 175.307 176.094 0.103 0.000 1.364 165 V CA 0.009 62.471 62.300 0.271 0.000 1.058 165 V CB 2.063 34.113 31.823 0.379 0.000 1.079 165 V HN 1.023 nan 8.190 nan 0.000 0.463 166 D N -1.392 119.193 120.400 0.309 0.000 2.571 166 D HA 0.214 4.855 4.640 0.000 0.000 0.239 166 D C -0.319 176.340 176.300 0.598 0.000 1.267 166 D CA 0.054 54.221 54.000 0.278 0.000 0.823 166 D CB 0.492 41.429 40.800 0.229 0.000 1.056 166 D HN 0.765 nan 8.370 nan 0.000 0.494 167 W N 1.482 123.013 121.300 0.386 0.000 3.405 167 W HA 0.285 4.946 4.660 0.000 0.000 0.329 167 W C -2.007 174.598 176.519 0.144 0.000 1.142 167 W CA -0.655 56.880 57.345 0.317 0.000 1.235 167 W CB 1.974 31.592 29.460 0.264 0.000 1.341 167 W HN -0.229 nan 8.180 nan 0.000 0.481 168 D N 4.129 124.268 120.400 -0.436 0.000 2.443 168 D HA 0.070 4.710 4.640 0.000 0.000 0.221 168 D C 0.951 176.876 176.300 -0.624 0.000 1.097 168 D CA 0.005 53.670 54.000 -0.559 0.000 0.865 168 D CB 1.645 42.101 40.800 -0.573 0.000 1.034 168 D HN 0.367 nan 8.370 nan 0.000 0.511 169 Q N 2.125 121.727 119.800 -0.331 0.000 2.297 169 Q HA -0.160 4.181 4.340 0.000 0.000 0.208 169 Q C 1.541 177.449 176.000 -0.153 0.000 0.981 169 Q CA 1.833 57.565 55.803 -0.118 0.000 0.876 169 Q CB -0.024 28.702 28.738 -0.020 0.000 0.921 169 Q HN 0.477 nan 8.270 nan 0.000 0.446 170 S N -1.659 113.916 115.700 -0.209 0.000 2.478 170 S HA 0.076 4.546 4.470 0.000 0.000 0.222 170 S C 1.601 176.118 174.600 -0.139 0.000 1.008 170 S CA 0.279 58.391 58.200 -0.147 0.000 0.928 170 S CB 0.160 63.276 63.200 -0.140 0.000 0.781 170 S HN 0.395 nan 8.310 nan 0.000 0.518 171 R N -0.177 120.202 120.500 -0.201 0.000 2.342 171 R HA 0.366 4.706 4.340 0.000 0.000 0.204 171 R C -0.213 175.942 176.300 -0.241 0.000 0.882 171 R CA -0.219 55.783 56.100 -0.163 0.000 1.041 171 R CB 0.190 30.432 30.300 -0.097 0.000 1.188 171 R HN 0.137 nan 8.270 nan 0.000 0.598 172 R N 1.283 121.475 120.500 -0.514 0.000 3.336 172 R HA -0.133 4.207 4.340 0.000 0.000 0.260 172 R C -0.942 175.057 176.300 -0.501 0.000 1.032 172 R CA 0.364 55.956 56.100 -0.846 0.000 0.693 172 R CB -2.090 28.060 30.300 -0.250 0.000 1.134 172 R HN 0.190 nan 8.270 nan 0.000 0.433 173 L N 0.028 121.038 121.223 -0.355 0.000 2.395 173 L HA 0.305 4.645 4.340 0.000 0.000 0.269 173 L C 0.912 177.823 176.870 0.069 0.000 1.133 173 L CA -0.616 54.184 54.840 -0.066 0.000 0.812 173 L CB 0.885 42.956 42.059 0.021 0.000 1.125 173 L HN 0.144 nan 8.230 nan 0.000 0.452 174 N N 0.991 119.774 118.700 0.138 0.000 2.495 174 N HA 0.167 4.907 4.740 0.000 0.000 0.280 174 N C 0.294 175.871 175.510 0.112 0.000 1.168 174 N CA -0.164 53.008 53.050 0.203 0.000 0.978 174 N CB 0.637 39.226 38.487 0.171 0.000 1.191 174 N HN 0.577 nan 8.380 nan 0.000 0.497 175 N N 0.178 118.942 118.700 0.107 0.000 2.735 175 N HA -0.209 4.531 4.740 0.000 0.000 0.248 175 N C -1.444 174.055 175.510 -0.018 0.000 1.083 175 N CA 0.705 53.779 53.050 0.041 0.000 0.703 175 N CB -0.453 38.048 38.487 0.024 0.000 1.005 175 N HN 0.380 nan 8.380 nan 0.000 0.550 176 R N 0.260 120.736 120.500 -0.041 0.000 2.711 176 R HA 0.628 4.968 4.340 0.000 0.000 0.284 176 R C -0.046 176.051 176.300 -0.338 0.000 0.968 176 R CA -0.693 55.259 56.100 -0.246 0.000 0.924 176 R CB 1.109 31.174 30.300 -0.392 0.000 1.162 176 R HN 0.266 nan 8.270 nan 0.000 0.465 177 I N 2.772 123.065 120.570 -0.462 0.000 2.478 177 I HA 0.321 4.491 4.170 0.000 0.000 0.287 177 I C -1.055 174.822 176.117 -0.400 0.000 1.042 177 I CA -0.855 60.194 61.300 -0.419 0.000 1.067 177 I CB 1.579 39.396 38.000 -0.305 0.000 1.233 177 I HN 0.389 nan 8.210 nan 0.000 0.431 178 Y N 5.060 125.320 120.300 -0.066 0.000 2.331 178 Y HA 0.399 4.949 4.550 0.000 0.000 0.338 178 Y C 0.163 176.046 175.900 -0.028 0.000 0.992 178 Y CA -0.698 57.401 58.100 -0.001 0.000 1.121 178 Y CB 1.434 39.909 38.460 0.026 0.000 1.184 178 Y HN 0.380 nan 8.280 nan 0.000 0.469 179 K N 4.095 124.538 120.400 0.071 0.000 2.240 179 K HA 0.400 4.720 4.320 0.000 0.000 0.271 179 K C -1.162 175.436 176.600 -0.004 0.000 1.018 179 K CA -0.568 55.559 56.287 -0.266 0.000 0.874 179 K CB 0.504 32.719 32.500 -0.475 0.000 1.098 179 K HN 0.399 nan 8.250 nan 0.000 0.458 180 F N 2.583 122.478 119.950 -0.092 0.000 2.496 180 F HA 0.250 4.778 4.527 0.000 0.000 0.344 180 F C 1.346 177.133 175.800 -0.022 0.000 1.155 180 F CA -0.475 57.523 58.000 -0.004 0.000 1.302 180 F CB 0.288 39.415 39.000 0.212 0.000 1.159 180 F HN 0.382 nan 8.300 nan 0.000 0.595 181 R N 0.295 120.892 120.500 0.162 0.000 2.674 181 R HA 0.785 5.125 4.340 0.000 0.000 0.266 181 R C 0.207 176.599 176.300 0.153 0.000 1.016 181 R CA -0.400 55.745 56.100 0.076 0.000 1.062 181 R CB 1.384 31.672 30.300 -0.021 0.000 1.142 181 R HN 0.875 nan 8.270 nan 0.000 0.517 182 G N 0.164 109.020 108.800 0.093 0.000 2.361 182 G HA2 -0.062 3.898 3.960 0.000 0.000 0.331 182 G HA3 -0.062 3.898 3.960 0.000 0.000 0.331 182 G C -1.478 173.456 174.900 0.056 0.000 1.324 182 G CA -0.958 44.199 45.100 0.094 0.000 0.984 182 G HN 0.542 nan 8.290 nan 0.000 0.586 183 H N 0.396 119.519 119.070 0.089 0.000 3.046 183 H HA 0.364 4.920 4.556 0.000 0.000 0.303 183 H C 1.688 177.031 175.328 0.025 0.000 1.002 183 H CA 1.718 57.785 56.048 0.033 0.000 1.460 183 H CB 0.583 30.341 29.762 -0.007 0.000 1.493 183 H HN 2.094 nan 8.280 nan 0.000 0.559 184 G N 3.574 112.468 108.800 0.155 0.000 2.168 184 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 184 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 184 G C 0.260 175.215 174.900 0.090 0.000 0.997 184 G CA -0.064 45.091 45.100 0.091 0.000 0.708 184 G HN 0.405 nan 8.290 nan 0.000 0.520 185 K N 0.485 120.944 120.400 0.100 0.000 2.276 185 K HA 0.756 5.076 4.320 0.000 0.000 0.285 185 K C 0.325 176.927 176.600 0.003 0.000 1.062 185 K CA 0.656 56.995 56.287 0.087 0.000 0.918 185 K CB 1.332 33.921 32.500 0.148 0.000 1.055 185 K HN 1.170 nan 8.250 nan 0.000 0.477 186 A N 3.343 126.146 122.820 -0.029 0.000 2.597 186 A HA 0.398 4.718 4.320 0.000 0.000 0.292 186 A C -1.665 175.913 177.584 -0.011 0.000 1.057 186 A CA -1.014 50.968 52.037 -0.092 0.000 0.674 186 A CB 0.356 19.366 19.000 0.016 0.000 1.278 186 A HN 0.650 nan 8.150 nan 0.000 0.416 187 W N 1.545 122.924 121.300 0.132 0.000 2.170 187 W HA 0.272 4.933 4.660 0.000 0.000 0.342 187 W C 0.071 176.696 176.519 0.177 0.000 1.294 187 W CA 0.138 57.577 57.345 0.156 0.000 1.246 187 W CB 0.475 30.032 29.460 0.162 0.000 1.156 187 W HN 0.589 nan 8.180 nan 0.000 0.572 188 D N 0.973 121.651 120.400 0.464 0.000 2.360 188 D HA 0.100 4.740 4.640 0.000 0.000 0.242 188 D C -0.584 175.954 176.300 0.397 0.000 1.184 188 D CA 0.224 54.424 54.000 0.334 0.000 0.930 188 D CB 0.773 41.710 40.800 0.228 0.000 1.161 188 D HN 0.387 nan 8.370 nan 0.000 0.447 189 W N 0.919 122.269 121.300 0.084 0.000 3.425 189 W HA 0.182 4.842 4.660 0.000 0.000 0.318 189 W C -1.014 175.507 176.519 0.003 0.000 1.201 189 W CA -0.585 56.772 57.345 0.021 0.000 1.212 189 W CB 1.499 30.986 29.460 0.045 0.000 1.355 189 W HN 0.351 nan 8.180 nan 0.000 0.515 190 E N 2.975 122.722 120.200 -0.755 0.000 2.313 190 E HA 0.495 4.845 4.350 0.000 0.000 0.272 190 E C -0.764 175.073 176.600 -1.271 0.000 1.038 190 E CA -0.290 55.093 56.400 -1.696 0.000 0.863 190 E CB 1.688 30.281 29.700 -1.844 0.000 1.060 190 E HN 0.318 nan 8.360 nan 0.000 0.402 191 V N 0.270 119.520 119.914 -1.106 0.000 3.206 191 V HA 0.377 4.498 4.120 0.000 0.000 0.305 191 V C -0.477 175.434 176.094 -0.306 0.000 1.257 191 V CA -1.256 60.687 62.300 -0.595 0.000 1.057 191 V CB 1.453 33.220 31.823 -0.093 0.000 1.075 191 V HN 0.811 nan 8.190 nan 0.000 0.443 192 D N 1.096 121.503 120.400 0.011 0.000 2.449 192 D HA 0.236 4.877 4.640 0.000 0.000 0.236 192 D C 1.294 177.723 176.300 0.215 0.000 1.149 192 D CA 1.032 55.142 54.000 0.183 0.000 0.878 192 D CB 1.443 42.292 40.800 0.082 0.000 1.198 192 D HN 1.048 nan 8.370 nan 0.000 0.446 193 T N -0.153 114.546 114.554 0.243 0.000 3.086 193 T HA 0.078 4.428 4.350 0.000 0.000 0.250 193 T C 0.719 175.494 174.700 0.126 0.000 1.074 193 T CA -0.467 61.767 62.100 0.225 0.000 0.988 193 T CB -0.228 68.790 68.868 0.251 0.000 0.988 193 T HN 0.504 nan 8.240 nan 0.000 0.530 194 E N 1.851 122.124 120.200 0.123 0.000 2.414 194 E HA 0.046 4.397 4.350 0.000 0.000 0.263 194 E C -0.177 176.293 176.600 -0.217 0.000 1.000 194 E CA 0.137 56.531 56.400 -0.010 0.000 0.914 194 E CB -0.085 29.641 29.700 0.044 0.000 0.948 194 E HN 0.497 nan 8.360 nan 0.000 0.444 195 N N 2.508 121.083 118.700 -0.208 0.000 2.818 195 N HA -0.263 4.477 4.740 0.000 0.000 0.250 195 N C 0.606 176.035 175.510 -0.135 0.000 1.108 195 N CA 0.261 53.165 53.050 -0.242 0.000 0.745 195 N CB -1.200 36.995 38.487 -0.488 0.000 1.104 195 N HN 0.881 nan 8.380 nan 0.000 0.557 196 G N 0.295 109.064 108.800 -0.052 0.000 3.444 196 G HA2 -0.402 3.558 3.960 0.000 0.000 0.222 196 G HA3 -0.402 3.558 3.960 0.000 0.000 0.222 196 G C -0.094 174.837 174.900 0.051 0.000 1.358 196 G CA 0.649 45.750 45.100 0.001 0.000 0.880 196 G HN 0.635 nan 8.290 nan 0.000 0.555 197 N N -0.907 117.801 118.700 0.013 0.000 2.542 197 N HA 0.346 5.086 4.740 0.000 0.000 0.288 197 N C -1.033 174.478 175.510 0.002 0.000 1.115 197 N CA -0.507 52.589 53.050 0.078 0.000 0.924 197 N CB 0.988 39.524 38.487 0.081 0.000 1.526 197 N HN 0.107 nan 8.380 nan 0.000 0.515 198 Y N 2.292 122.585 120.300 -0.013 0.000 2.645 198 Y HA 0.142 4.692 4.550 0.000 0.000 0.307 198 Y C 1.487 177.410 175.900 0.038 0.000 1.151 198 Y CA -0.549 57.550 58.100 -0.002 0.000 1.291 198 Y CB -0.194 38.280 38.460 0.023 0.000 1.135 198 Y HN 0.626 nan 8.280 nan 0.000 0.523 199 D N -0.279 120.180 120.400 0.098 0.000 2.104 199 D HA -0.248 4.393 4.640 0.000 0.000 0.194 199 D C 0.214 176.513 176.300 -0.002 0.000 0.994 199 D CA 1.103 55.148 54.000 0.076 0.000 0.830 199 D CB -0.239 40.650 40.800 0.148 0.000 0.959 199 D HN 0.270 nan 8.370 nan 0.000 0.452 200 Y N 0.046 120.151 120.300 -0.325 0.000 2.335 200 Y HA 0.314 4.864 4.550 0.000 0.000 0.331 200 Y C 0.591 176.409 175.900 -0.135 0.000 1.094 200 Y CA -0.401 57.541 58.100 -0.263 0.000 1.253 200 Y CB 1.030 39.177 38.460 -0.522 0.000 1.203 200 Y HN -0.012 nan 8.280 nan 0.000 0.508 201 L N 5.677 126.269 121.223 -1.052 0.000 2.738 201 L HA 0.469 4.809 4.340 0.000 0.000 0.175 201 L C -0.505 175.896 176.870 -0.781 0.000 1.125 201 L CA 0.769 55.132 54.840 -0.795 0.000 0.857 201 L CB 0.295 41.781 42.059 -0.954 0.000 1.300 201 L HN 0.723 nan 8.230 nan 0.000 0.499 202 M N -3.974 115.054 119.600 -0.954 0.000 2.880 202 M HA 0.375 4.855 4.480 0.000 0.000 0.269 202 M C -0.640 175.377 176.300 -0.472 0.000 1.248 202 M CA -0.778 54.136 55.300 -0.644 0.000 0.821 202 M CB 1.522 33.693 32.600 -0.715 0.000 1.650 202 M HN 0.150 nan 8.290 nan 0.000 0.479 203 Y N -0.539 119.690 120.300 -0.119 0.000 2.896 203 Y HA -0.167 4.383 4.550 0.000 0.000 0.462 203 Y C 0.533 176.502 175.900 0.115 0.000 1.200 203 Y CA 0.952 59.040 58.100 -0.021 0.000 2.460 203 Y CB -1.781 36.605 38.460 -0.124 0.000 1.236 203 Y HN 1.083 nan 8.280 nan 0.000 0.637 204 A N 1.137 124.109 122.820 0.253 0.000 2.269 204 A HA 0.456 4.776 4.320 0.000 0.000 0.302 204 A C -0.645 177.043 177.584 0.172 0.000 1.266 204 A CA 0.085 52.134 52.037 0.020 0.000 0.894 204 A CB 0.088 18.703 19.000 -0.642 0.000 1.147 204 A HN 0.462 nan 8.150 nan 0.000 0.537 205 D N 2.861 123.467 120.400 0.344 0.000 2.339 205 D HA 0.290 4.930 4.640 0.000 0.000 0.256 205 D C 0.128 176.754 176.300 0.544 0.000 1.214 205 D CA 0.056 54.281 54.000 0.374 0.000 0.877 205 D CB 0.211 41.267 40.800 0.427 0.000 1.111 205 D HN 0.475 nan 8.370 nan 0.000 0.478 206 I N 2.947 123.762 120.570 0.408 0.000 2.683 206 I HA -0.030 4.140 4.170 0.000 0.000 0.286 206 I C 0.542 176.753 176.117 0.156 0.000 1.175 206 I CA 0.158 61.615 61.300 0.262 0.000 1.429 206 I CB 0.502 38.520 38.000 0.029 0.000 1.371 206 I HN 0.416 nan 8.210 nan 0.000 0.569 207 D N 7.827 128.308 120.400 0.135 0.000 2.393 207 D HA 0.123 4.763 4.640 0.000 0.000 0.232 207 D C 0.703 177.026 176.300 0.038 0.000 1.192 207 D CA -0.318 53.763 54.000 0.135 0.000 0.882 207 D CB 0.834 41.754 40.800 0.200 0.000 1.038 207 D HN 0.290 nan 8.370 nan 0.000 0.499 208 M N 2.011 121.590 119.600 -0.036 0.000 2.659 208 M HA -0.002 4.478 4.480 0.000 0.000 0.243 208 M C 0.494 176.804 176.300 0.017 0.000 1.111 208 M CA 0.398 55.605 55.300 -0.154 0.000 1.070 208 M CB -0.162 32.262 32.600 -0.294 0.000 1.525 208 M HN 0.324 nan 8.290 nan 0.000 0.517 209 D N -1.181 119.273 120.400 0.090 0.000 2.348 209 D HA -0.016 4.624 4.640 0.000 0.000 0.211 209 D C 0.483 176.851 176.300 0.113 0.000 0.998 209 D CA 0.427 54.492 54.000 0.108 0.000 0.873 209 D CB -0.025 40.843 40.800 0.113 0.000 0.925 209 D HN 0.431 nan 8.370 nan 0.000 0.524 210 H N 1.912 121.005 119.070 0.039 0.000 2.723 210 H HA 0.075 4.631 4.556 0.000 0.000 0.294 210 H C -1.260 174.085 175.328 0.028 0.000 1.079 210 H CA -1.568 54.508 56.048 0.047 0.000 1.411 210 H CB 1.746 31.555 29.762 0.080 0.000 1.439 210 H HN -0.155 nan 8.280 nan 0.000 0.474 211 P HA -0.212 nan 4.420 nan 0.000 0.216 211 P C 0.579 177.989 177.300 0.184 0.000 1.150 211 P CA 1.351 64.545 63.100 0.156 0.000 0.837 211 P CB 0.421 32.166 31.700 0.075 0.000 0.786 212 E N -0.301 120.125 120.200 0.377 0.000 2.150 212 E HA -0.072 4.278 4.350 0.000 0.000 0.193 212 E C 2.165 178.658 176.600 -0.178 0.000 0.985 212 E CA 0.734 57.223 56.400 0.149 0.000 0.814 212 E CB -0.409 29.453 29.700 0.270 0.000 0.752 212 E HN 0.111 nan 8.360 nan 0.000 0.466 213 V N 0.942 120.733 119.914 -0.206 0.000 2.323 213 V HA -0.208 3.912 4.120 0.000 0.000 0.244 213 V C 2.358 178.323 176.094 -0.214 0.000 1.041 213 V CA 1.204 63.259 62.300 -0.409 0.000 1.025 213 V CB -0.257 31.409 31.823 -0.262 0.000 0.656 213 V HN 0.115 nan 8.190 nan 0.000 0.451 214 V N 0.775 120.674 119.914 -0.026 0.000 2.287 214 V HA -0.310 3.810 4.120 0.000 0.000 0.248 214 V C 2.320 178.471 176.094 0.094 0.000 1.053 214 V CA 2.597 64.993 62.300 0.160 0.000 1.027 214 V CB -1.037 30.911 31.823 0.208 0.000 0.646 214 V HN 0.680 nan 8.190 nan 0.000 0.447 215 N N 0.195 118.886 118.700 -0.016 0.000 2.120 215 N HA -0.216 4.524 4.740 0.000 0.000 0.188 215 N C 1.806 177.249 175.510 -0.112 0.000 1.024 215 N CA 1.665 54.677 53.050 -0.063 0.000 0.852 215 N CB -0.179 38.280 38.487 -0.047 0.000 1.003 215 N HN 0.497 nan 8.380 nan 0.000 0.424 216 E N 0.407 120.435 120.200 -0.287 0.000 2.072 216 E HA -0.058 4.292 4.350 0.000 0.000 0.191 216 E C 1.932 178.478 176.600 -0.090 0.000 0.985 216 E CA 1.143 57.284 56.400 -0.432 0.000 0.801 216 E CB -0.474 28.423 29.700 -1.338 0.000 0.750 216 E HN 0.482 nan 8.360 nan 0.000 0.452 217 L N -0.061 121.174 121.223 0.020 0.000 2.093 217 L HA -0.082 4.258 4.340 0.000 0.000 0.208 217 L C 2.735 179.968 176.870 0.605 0.000 1.085 217 L CA 1.263 56.289 54.840 0.309 0.000 0.755 217 L CB -0.350 41.903 42.059 0.324 0.000 0.904 217 L HN 0.099 nan 8.230 nan 0.000 0.435 218 R N -0.115 120.618 120.500 0.387 0.000 2.081 218 R HA -0.118 4.222 4.340 0.000 0.000 0.235 218 R C 2.119 178.526 176.300 0.180 0.000 1.131 218 R CA 1.343 57.541 56.100 0.162 0.000 0.960 218 R CB -0.373 29.705 30.300 -0.370 0.000 0.856 218 R HN 0.420 nan 8.270 nan 0.000 0.436 219 N N 0.146 118.948 118.700 0.171 0.000 2.120 219 N HA -0.207 4.533 4.740 0.000 0.000 0.188 219 N C 1.387 177.100 175.510 0.337 0.000 1.024 219 N CA 1.125 54.312 53.050 0.229 0.000 0.852 219 N CB -0.379 38.210 38.487 0.170 0.000 1.003 219 N HN 0.351 nan 8.380 nan 0.000 0.424 220 W N 2.132 123.558 121.300 0.209 0.000 2.363 220 W HA -0.006 4.655 4.660 0.000 0.000 0.296 220 W C 2.247 178.950 176.519 0.306 0.000 1.212 220 W CA 1.765 59.207 57.345 0.161 0.000 1.260 220 W CB -0.769 28.588 29.460 -0.171 0.000 1.131 220 W HN 0.020 nan 8.180 nan 0.000 0.530 221 G N 0.503 109.411 108.800 0.181 0.000 2.442 221 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 221 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 221 G C 1.385 176.202 174.900 -0.137 0.000 1.141 221 G CA 1.804 46.863 45.100 -0.069 0.000 0.763 221 G HN 0.280 nan 8.290 nan 0.000 0.554 222 V N -0.637 119.265 119.914 -0.020 0.000 2.323 222 V HA -0.080 4.040 4.120 0.000 0.000 0.244 222 V C 2.218 178.327 176.094 0.025 0.000 1.041 222 V CA 1.649 63.944 62.300 -0.007 0.000 1.025 222 V CB -0.585 31.266 31.823 0.047 0.000 0.656 222 V HN 0.642 nan 8.190 nan 0.000 0.451 223 W N 0.067 121.330 121.300 -0.062 0.000 2.335 223 W HA -0.295 4.365 4.660 0.000 0.000 0.311 223 W C 2.522 178.989 176.519 -0.088 0.000 1.213 223 W CA 2.053 59.389 57.345 -0.015 0.000 1.274 223 W CB -0.531 29.019 29.460 0.150 0.000 1.148 223 W HN 0.380 nan 8.180 nan 0.000 0.498 224 Y N 1.356 121.471 120.300 -0.309 0.000 2.145 224 Y HA -0.238 4.312 4.550 0.000 0.000 0.286 224 Y C 2.553 178.240 175.900 -0.355 0.000 1.145 224 Y CA 2.705 60.509 58.100 -0.494 0.000 1.148 224 Y CB -1.013 36.917 38.460 -0.883 0.000 0.981 224 Y HN -0.123 nan 8.280 nan 0.000 0.507 225 T N 0.852 115.261 114.554 -0.241 0.000 2.708 225 T HA -0.168 4.182 4.350 0.000 0.000 0.266 225 T C 1.636 176.154 174.700 -0.303 0.000 1.037 225 T CA 1.651 63.599 62.100 -0.254 0.000 1.146 225 T CB -0.282 68.527 68.868 -0.098 0.000 0.865 225 T HN 0.348 nan 8.240 nan 0.000 0.435 226 N N 0.620 119.152 118.700 -0.281 0.000 2.270 226 N HA -0.021 4.719 4.740 0.000 0.000 0.181 226 N C 2.030 177.325 175.510 -0.358 0.000 1.016 226 N CA 0.982 53.870 53.050 -0.269 0.000 0.870 226 N CB -0.631 37.740 38.487 -0.193 0.000 0.979 226 N HN 0.342 nan 8.380 nan 0.000 0.431 227 T N 1.135 115.349 114.554 -0.567 0.000 2.777 227 T HA 0.063 4.413 4.350 0.000 0.000 0.266 227 T C 1.814 176.251 174.700 -0.437 0.000 1.040 227 T CA 0.734 62.453 62.100 -0.634 0.000 1.141 227 T CB 0.008 68.168 68.868 -1.180 0.000 0.868 227 T HN 0.153 nan 8.240 nan 0.000 0.444 228 L N 0.023 120.985 121.223 -0.435 0.000 2.585 228 L HA 0.332 4.672 4.340 0.000 0.000 0.226 228 L C 1.554 178.249 176.870 -0.292 0.000 1.113 228 L CA 0.038 54.668 54.840 -0.350 0.000 0.876 228 L CB -0.211 41.615 42.059 -0.387 0.000 1.072 228 L HN 0.435 nan 8.230 nan 0.000 0.468 229 G N 1.756 110.386 108.800 -0.283 0.000 2.295 229 G HA2 -0.269 3.692 3.960 0.000 0.000 0.287 229 G HA3 -0.269 3.692 3.960 0.000 0.000 0.287 229 G C 0.100 174.868 174.900 -0.220 0.000 1.055 229 G CA -0.127 44.840 45.100 -0.222 0.000 0.922 229 G HN 0.225 nan 8.290 nan 0.000 0.503 230 L N -0.417 120.642 121.223 -0.274 0.000 2.461 230 L HA 0.270 4.610 4.340 0.000 0.000 0.272 230 L C 1.052 177.786 176.870 -0.227 0.000 1.197 230 L CA -0.324 54.358 54.840 -0.263 0.000 0.836 230 L CB 0.473 42.309 42.059 -0.371 0.000 1.105 230 L HN 0.115 nan 8.230 nan 0.000 0.477 231 D N 1.044 121.373 120.400 -0.118 0.000 2.392 231 D HA 0.209 4.849 4.640 0.000 0.000 0.206 231 D C 0.659 176.947 176.300 -0.020 0.000 1.046 231 D CA 0.460 54.439 54.000 -0.035 0.000 0.865 231 D CB 1.371 42.212 40.800 0.070 0.000 0.969 231 D HN 0.713 nan 8.370 nan 0.000 0.509 232 G N -0.302 108.446 108.800 -0.086 0.000 2.548 232 G HA2 0.476 4.436 3.960 0.000 0.000 0.301 232 G HA3 0.476 4.436 3.960 0.000 0.000 0.301 232 G C -1.880 172.721 174.900 -0.499 0.000 1.349 232 G CA -0.772 44.112 45.100 -0.359 0.000 0.792 232 G HN -0.066 nan 8.290 nan 0.000 0.481 233 F N -0.481 119.442 119.950 -0.044 0.000 2.603 233 F HA 0.782 5.309 4.527 0.000 0.000 0.317 233 F C 0.156 175.922 175.800 -0.057 0.000 1.066 233 F CA -1.120 56.927 58.000 0.078 0.000 0.941 233 F CB 2.409 41.527 39.000 0.197 0.000 1.291 233 F HN 0.353 nan 8.300 nan 0.000 0.472 234 R N 3.163 123.802 120.500 0.232 0.000 2.358 234 R HA 0.503 4.843 4.340 0.000 0.000 0.309 234 R C -1.588 174.797 176.300 0.141 0.000 1.026 234 R CA -0.252 55.826 56.100 -0.036 0.000 0.909 234 R CB 0.363 30.271 30.300 -0.652 0.000 1.153 234 R HN 0.795 nan 8.270 nan 0.000 0.515 235 I N 3.169 123.822 120.570 0.138 0.000 2.371 235 I HA 0.118 4.288 4.170 0.000 0.000 0.290 235 I C 0.453 176.650 176.117 0.133 0.000 1.028 235 I CA -0.561 60.810 61.300 0.117 0.000 1.345 235 I CB 1.163 39.190 38.000 0.045 0.000 1.407 235 I HN 0.455 nan 8.210 nan 0.000 0.501 236 D N 5.326 125.816 120.400 0.149 0.000 2.302 236 D HA 0.398 5.038 4.640 0.000 0.000 0.248 236 D C 0.637 176.974 176.300 0.061 0.000 1.094 236 D CA 0.167 54.261 54.000 0.157 0.000 0.897 236 D CB 1.023 41.997 40.800 0.289 0.000 1.200 236 D HN 0.773 nan 8.370 nan 0.000 0.429 237 A N 2.618 125.467 122.820 0.047 0.000 2.596 237 A HA -0.189 4.131 4.320 0.000 0.000 0.300 237 A C 1.543 179.101 177.584 -0.043 0.000 1.495 237 A CA 1.028 53.091 52.037 0.042 0.000 0.769 237 A CB -2.249 16.834 19.000 0.138 0.000 1.047 237 A HN 1.039 nan 8.150 nan 0.000 0.436 238 V N -1.333 118.509 119.914 -0.120 0.000 2.759 238 V HA -0.230 3.890 4.120 0.000 0.000 0.256 238 V C 2.098 178.036 176.094 -0.260 0.000 1.080 238 V CA 2.334 64.562 62.300 -0.120 0.000 1.101 238 V CB -0.813 30.948 31.823 -0.104 0.000 0.698 238 V HN 0.954 nan 8.190 nan 0.000 0.477 239 K N -0.554 119.425 120.400 -0.702 0.000 2.439 239 K HA -0.095 4.225 4.320 0.000 0.000 0.197 239 K C 1.533 177.779 176.600 -0.589 0.000 1.041 239 K CA 1.403 57.122 56.287 -0.946 0.000 0.970 239 K CB -0.420 30.969 32.500 -1.852 0.000 0.773 239 K HN 0.627 nan 8.250 nan 0.000 0.479 240 H N 0.253 119.179 119.070 -0.239 0.000 2.586 240 H HA 0.318 4.874 4.556 0.000 0.000 0.273 240 H C 0.040 175.341 175.328 -0.045 0.000 0.997 240 H CA -0.089 55.856 56.048 -0.171 0.000 1.177 240 H CB 0.409 30.023 29.762 -0.248 0.000 1.471 240 H HN 0.129 nan 8.280 nan 0.000 0.538 241 I N 1.485 122.117 120.570 0.103 0.000 2.474 241 I HA 0.120 4.291 4.170 0.000 0.000 0.294 241 I C 0.511 176.770 176.117 0.238 0.000 1.005 241 I CA -0.981 60.406 61.300 0.146 0.000 1.113 241 I CB 2.471 40.563 38.000 0.153 0.000 1.289 241 I HN -0.190 nan 8.210 nan 0.000 0.436 242 K N 4.977 125.478 120.400 0.168 0.000 2.441 242 K HA -0.125 4.195 4.320 0.000 0.000 0.273 242 K C 0.402 177.201 176.600 0.332 0.000 1.090 242 K CA 0.315 56.693 56.287 0.152 0.000 1.158 242 K CB 0.296 32.890 32.500 0.156 0.000 0.847 242 K HN 0.444 nan 8.250 nan 0.000 0.483 243 Y N 1.835 122.192 120.300 0.095 0.000 2.114 243 Y HA -0.303 4.247 4.550 0.000 0.000 0.282 243 Y C 2.625 178.565 175.900 0.068 0.000 1.165 243 Y CA 1.837 60.001 58.100 0.106 0.000 1.148 243 Y CB -1.170 37.289 38.460 -0.001 0.000 0.972 243 Y HN 0.789 nan 8.280 nan 0.000 0.504 244 S N -0.328 115.505 115.700 0.221 0.000 2.423 244 S HA -0.210 4.260 4.470 0.000 0.000 0.231 244 S C 1.964 176.663 174.600 0.166 0.000 1.014 244 S CA 0.910 59.197 58.200 0.145 0.000 0.965 244 S CB -1.329 61.941 63.200 0.118 0.000 0.785 244 S HN 0.381 nan 8.310 nan 0.000 0.495 245 F N 3.152 123.168 119.950 0.111 0.000 2.075 245 F HA -0.070 4.457 4.527 0.000 0.000 0.297 245 F C 2.399 178.284 175.800 0.141 0.000 1.113 245 F CA 2.022 60.089 58.000 0.112 0.000 1.218 245 F CB -1.153 37.898 39.000 0.086 0.000 0.984 245 F HN 0.159 nan 8.300 nan 0.000 0.472 246 T N 1.317 115.883 114.554 0.020 0.000 2.684 246 T HA -0.241 4.109 4.350 0.000 0.000 0.267 246 T C 2.108 176.757 174.700 -0.086 0.000 1.036 246 T CA 1.723 63.771 62.100 -0.086 0.000 1.148 246 T CB -0.438 68.515 68.868 0.142 0.000 0.863 246 T HN 0.298 nan 8.240 nan 0.000 0.436 247 R N 1.053 121.537 120.500 -0.027 0.000 2.080 247 R HA -0.155 4.185 4.340 0.000 0.000 0.236 247 R C 1.670 177.949 176.300 -0.035 0.000 1.137 247 R CA 2.107 58.188 56.100 -0.032 0.000 0.943 247 R CB -0.329 29.964 30.300 -0.013 0.000 0.846 247 R HN 0.295 nan 8.270 nan 0.000 0.431 248 D N -0.913 119.464 120.400 -0.038 0.000 2.312 248 D HA -0.145 4.495 4.640 0.000 0.000 0.211 248 D C 1.390 177.657 176.300 -0.055 0.000 0.964 248 D CA 0.670 54.652 54.000 -0.031 0.000 0.877 248 D CB -0.299 40.502 40.800 0.001 0.000 0.924 248 D HN 0.418 nan 8.370 nan 0.000 0.515 249 W N 1.549 122.618 121.300 -0.385 0.000 2.409 249 W HA -0.023 4.637 4.660 0.000 0.000 0.299 249 W C 1.964 178.370 176.519 -0.188 0.000 1.203 249 W CA 0.833 57.936 57.345 -0.404 0.000 1.298 249 W CB -0.276 28.720 29.460 -0.774 0.000 1.127 249 W HN -0.187 nan 8.180 nan 0.000 0.528 250 I N 0.951 121.513 120.570 -0.013 0.000 2.179 250 I HA -0.366 3.804 4.170 0.000 0.000 0.242 250 I C 2.105 178.130 176.117 -0.154 0.000 1.088 250 I CA 2.025 63.257 61.300 -0.113 0.000 1.357 250 I CB -0.892 37.079 38.000 -0.049 0.000 1.051 250 I HN 0.104 nan 8.210 nan 0.000 0.409 251 N N -0.383 118.263 118.700 -0.089 0.000 2.069 251 N HA -0.285 4.456 4.740 0.000 0.000 0.191 251 N C 1.934 177.381 175.510 -0.105 0.000 1.031 251 N CA 1.420 54.429 53.050 -0.069 0.000 0.852 251 N CB -0.274 38.198 38.487 -0.025 0.000 1.018 251 N HN 0.385 nan 8.380 nan 0.000 0.423 252 H N 0.920 119.872 119.070 -0.197 0.000 2.290 252 H HA -0.079 4.477 4.556 0.000 0.000 0.298 252 H C 1.907 177.085 175.328 -0.251 0.000 1.087 252 H CA 1.804 57.728 56.048 -0.206 0.000 1.291 252 H CB -0.397 29.228 29.762 -0.229 0.000 1.369 252 H HN -0.051 nan 8.280 nan 0.000 0.492 253 V N 0.906 120.559 119.914 -0.436 0.000 2.332 253 V HA -0.269 3.851 4.120 0.000 0.000 0.248 253 V C 2.611 178.533 176.094 -0.287 0.000 1.055 253 V CA 2.297 64.339 62.300 -0.430 0.000 1.038 253 V CB -0.543 30.954 31.823 -0.542 0.000 0.651 253 V HN 0.410 nan 8.190 nan 0.000 0.450 254 R N -0.103 120.267 120.500 -0.216 0.000 2.073 254 R HA -0.162 4.178 4.340 0.000 0.000 0.234 254 R C 2.715 178.917 176.300 -0.162 0.000 1.134 254 R CA 1.764 57.775 56.100 -0.148 0.000 0.952 254 R CB -0.600 29.640 30.300 -0.099 0.000 0.850 254 R HN 0.498 nan 8.270 nan 0.000 0.433 255 S N 0.136 115.721 115.700 -0.190 0.000 2.383 255 S HA -0.077 4.393 4.470 0.000 0.000 0.227 255 S C 1.988 176.461 174.600 -0.211 0.000 1.026 255 S CA 1.113 59.209 58.200 -0.174 0.000 0.981 255 S CB -0.058 63.050 63.200 -0.154 0.000 0.818 255 S HN 0.431 nan 8.310 nan 0.000 0.472 256 A N 0.489 123.108 122.820 -0.335 0.000 2.014 256 A HA 0.008 4.328 4.320 0.000 0.000 0.218 256 A C 2.288 179.759 177.584 -0.189 0.000 1.163 256 A CA 1.904 53.759 52.037 -0.303 0.000 0.652 256 A CB -0.959 17.747 19.000 -0.491 0.000 0.808 256 A HN 0.746 nan 8.150 nan 0.000 0.449 257 T N -5.187 109.259 114.554 -0.180 0.000 3.044 257 T HA 0.394 4.744 4.350 0.000 0.000 0.250 257 T C 1.411 176.045 174.700 -0.111 0.000 1.081 257 T CA 1.104 63.123 62.100 -0.134 0.000 1.040 257 T CB 0.071 68.856 68.868 -0.138 0.000 0.962 257 T HN 1.615 nan 8.240 nan 0.000 0.506 258 G N 1.345 110.078 108.800 -0.111 0.000 2.153 258 G HA2 -0.260 3.700 3.960 0.000 0.000 0.252 258 G HA3 -0.260 3.700 3.960 0.000 0.000 0.252 258 G C -0.123 174.729 174.900 -0.081 0.000 0.994 258 G CA 0.362 45.410 45.100 -0.087 0.000 0.698 258 G HN 0.704 nan 8.290 nan 0.000 0.521 259 K N -0.168 120.176 120.400 -0.093 0.000 2.323 259 K HA 0.329 4.649 4.320 0.000 0.000 0.259 259 K C 0.084 176.637 176.600 -0.079 0.000 0.947 259 K CA -0.886 55.349 56.287 -0.087 0.000 0.819 259 K CB 0.713 33.148 32.500 -0.108 0.000 1.109 259 K HN 0.065 nan 8.250 nan 0.000 0.429 260 N N 4.810 123.478 118.700 -0.053 0.000 3.210 260 N HA -0.002 4.738 4.740 0.000 0.000 0.314 260 N C -0.276 175.220 175.510 -0.024 0.000 1.291 260 N CA -0.070 52.961 53.050 -0.033 0.000 1.202 260 N CB 0.025 38.504 38.487 -0.013 0.000 1.475 260 N HN 0.500 nan 8.380 nan 0.000 0.554 261 M N 1.401 120.959 119.600 -0.071 0.000 2.274 261 M HA -0.129 4.351 4.480 0.000 0.000 0.377 261 M C 0.295 176.559 176.300 -0.059 0.000 1.428 261 M CA 0.380 55.606 55.300 -0.123 0.000 0.907 261 M CB -0.938 31.513 32.600 -0.248 0.000 1.974 261 M HN 0.260 nan 8.290 nan 0.000 0.479 262 F N 3.053 122.902 119.950 -0.168 0.000 2.418 262 F HA 0.496 5.023 4.527 0.000 0.000 0.341 262 F C -0.172 175.497 175.800 -0.219 0.000 1.120 262 F CA -0.583 57.316 58.000 -0.169 0.000 1.232 262 F CB 0.679 39.555 39.000 -0.206 0.000 1.175 262 F HN 0.634 nan 8.300 nan 0.000 0.569 263 A N 5.685 127.795 122.820 -1.183 0.000 2.427 263 A HA 0.639 4.960 4.320 0.000 0.000 0.298 263 A C -1.886 175.171 177.584 -0.878 0.000 1.036 263 A CA -0.624 50.987 52.037 -0.709 0.000 0.701 263 A CB 1.441 20.345 19.000 -0.160 0.000 1.250 263 A HN 1.013 nan 8.150 nan 0.000 0.412 264 V N 2.262 121.857 119.914 -0.532 0.000 2.577 264 V HA 0.814 4.934 4.120 0.000 0.000 0.303 264 V C 0.008 176.078 176.094 -0.039 0.000 1.042 264 V CA 0.130 62.229 62.300 -0.335 0.000 0.872 264 V CB 1.391 32.935 31.823 -0.465 0.000 0.998 264 V HN 1.799 nan 8.190 nan 0.000 0.423 265 A N 4.650 127.554 122.820 0.140 0.000 2.312 265 A HA 0.754 5.074 4.320 0.000 0.000 0.328 265 A C -0.241 177.525 177.584 0.304 0.000 1.158 265 A CA -0.622 51.561 52.037 0.244 0.000 0.821 265 A CB 1.138 20.371 19.000 0.389 0.000 1.170 265 A HN 0.950 nan 8.150 nan 0.000 0.490 266 E N 1.672 122.035 120.200 0.271 0.000 2.035 266 E HA 0.362 4.712 4.350 0.000 0.000 0.271 266 E C -1.754 174.915 176.600 0.115 0.000 0.953 266 E CA -0.278 56.279 56.400 0.262 0.000 0.777 266 E CB 0.348 30.115 29.700 0.110 0.000 1.104 266 E HN 0.445 nan 8.360 nan 0.000 0.408 267 F N 6.492 126.396 119.950 -0.077 0.000 2.309 267 F HA 0.228 4.755 4.527 0.000 0.000 0.366 267 F C -0.847 174.905 175.800 -0.081 0.000 1.104 267 F CA -0.963 56.900 58.000 -0.229 0.000 1.179 267 F CB 0.410 39.133 39.000 -0.461 0.000 1.437 267 F HN 0.562 nan 8.300 nan 0.000 0.528 268 W N 8.907 130.153 121.300 -0.091 0.000 2.290 268 W HA 0.304 4.964 4.660 -0.000 0.000 0.408 268 W C -0.975 175.589 176.519 0.075 0.000 0.966 268 W CA -0.395 56.964 57.345 0.022 0.000 1.579 268 W CB 0.240 29.662 29.460 -0.064 0.000 1.662 268 W HN 0.478 nan 8.180 nan 0.000 0.341 269 K N 4.182 124.596 120.400 0.023 0.000 2.565 269 K HA 0.047 4.367 4.320 0.000 0.000 0.251 269 K C -0.448 176.142 176.600 -0.016 0.000 0.956 269 K CA -0.560 55.789 56.287 0.104 0.000 0.809 269 K CB 0.945 33.640 32.500 0.324 0.000 1.267 269 K HN 0.062 nan 8.250 nan 0.000 0.438 270 N N 3.337 121.982 118.700 -0.092 0.000 3.178 270 N HA 0.034 4.774 4.740 0.000 0.000 0.300 270 N C -1.628 173.848 175.510 -0.057 0.000 1.242 270 N CA 0.154 53.124 53.050 -0.133 0.000 1.192 270 N CB 0.171 38.395 38.487 -0.437 0.000 1.463 270 N HN 0.530 nan 8.380 nan 0.000 0.539 271 D N 1.947 122.341 120.400 -0.010 0.000 2.365 271 D HA 0.009 4.649 4.640 0.000 0.000 0.235 271 D C 0.655 176.940 176.300 -0.024 0.000 1.368 271 D CA -0.578 53.423 54.000 0.003 0.000 1.001 271 D CB 0.543 41.367 40.800 0.041 0.000 1.364 271 D HN 0.129 nan 8.370 nan 0.000 0.577 272 L N 4.066 125.281 121.223 -0.013 0.000 2.042 272 L HA 0.117 4.457 4.340 0.000 0.000 0.210 272 L C 2.077 178.925 176.870 -0.037 0.000 1.076 272 L CA 2.761 57.591 54.840 -0.017 0.000 0.749 272 L CB -0.590 41.482 42.059 0.022 0.000 0.893 272 L HN 0.560 nan 8.230 nan 0.000 0.432 273 G N -1.121 107.672 108.800 -0.012 0.000 2.440 273 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 273 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 273 G C 1.594 176.465 174.900 -0.048 0.000 1.154 273 G CA 0.899 45.996 45.100 -0.006 0.000 0.767 273 G HN 0.652 nan 8.290 nan 0.000 0.552 274 A N 0.587 123.370 122.820 -0.062 0.000 1.898 274 A HA 0.108 4.428 4.320 0.000 0.000 0.216 274 A C 2.403 179.704 177.584 -0.472 0.000 1.181 274 A CA 1.216 53.191 52.037 -0.103 0.000 0.620 274 A CB -0.298 18.743 19.000 0.069 0.000 0.819 274 A HN 0.383 nan 8.150 nan 0.000 0.442 275 I N -0.571 119.662 120.570 -0.561 0.000 2.315 275 I HA -0.215 3.955 4.170 0.000 0.000 0.248 275 I C 2.429 178.270 176.117 -0.460 0.000 1.117 275 I CA 1.319 62.177 61.300 -0.737 0.000 1.404 275 I CB -0.390 37.350 38.000 -0.435 0.000 1.071 275 I HN 0.408 nan 8.210 nan 0.000 0.419 276 E N 0.643 120.677 120.200 -0.278 0.000 2.150 276 E HA -0.241 4.109 4.350 0.000 0.000 0.193 276 E C 1.773 178.176 176.600 -0.329 0.000 0.985 276 E CA 1.209 57.456 56.400 -0.256 0.000 0.814 276 E CB -0.170 29.520 29.700 -0.016 0.000 0.752 276 E HN 0.413 nan 8.360 nan 0.000 0.466 277 N N 0.369 118.936 118.700 -0.222 0.000 2.142 277 N HA -0.224 4.516 4.740 0.000 0.000 0.186 277 N C 1.728 177.087 175.510 -0.251 0.000 1.023 277 N CA 1.058 54.020 53.050 -0.148 0.000 0.852 277 N CB -0.254 38.230 38.487 -0.006 0.000 0.998 277 N HN 0.171 nan 8.380 nan 0.000 0.424 278 Y N 0.753 120.736 120.300 -0.528 0.000 2.224 278 Y HA -0.052 4.498 4.550 0.000 0.000 0.289 278 Y C 1.815 177.285 175.900 -0.717 0.000 1.146 278 Y CA 1.456 59.098 58.100 -0.763 0.000 1.182 278 Y CB -0.302 37.612 38.460 -0.910 0.000 0.983 278 Y HN 0.116 nan 8.280 nan 0.000 0.524 279 L N -0.044 120.651 121.223 -0.880 0.000 2.056 279 L HA -0.244 4.096 4.340 0.000 0.000 0.207 279 L C 2.611 178.555 176.870 -1.544 0.000 1.078 279 L CA 1.378 55.419 54.840 -1.333 0.000 0.749 279 L CB -0.638 40.430 42.059 -1.652 0.000 0.901 279 L HN 0.296 nan 8.230 nan 0.000 0.433 280 Q N 0.073 119.208 119.800 -1.109 0.000 2.046 280 Q HA -0.173 4.167 4.340 0.000 0.000 0.200 280 Q C 2.143 177.914 176.000 -0.381 0.000 0.975 280 Q CA 1.034 56.475 55.803 -0.602 0.000 0.836 280 Q CB -0.264 28.358 28.738 -0.193 0.000 0.896 280 Q HN 0.394 nan 8.270 nan 0.000 0.428 281 K N 0.638 120.835 120.400 -0.339 0.000 2.209 281 K HA -0.066 4.254 4.320 0.000 0.000 0.204 281 K C 1.994 178.452 176.600 -0.237 0.000 1.048 281 K CA 1.534 57.713 56.287 -0.180 0.000 0.940 281 K CB -0.409 32.096 32.500 0.009 0.000 0.729 281 K HN 0.423 nan 8.250 nan 0.000 0.451 282 T N -1.954 112.316 114.554 -0.474 0.000 3.144 282 T HA 0.062 4.412 4.350 0.000 0.000 0.249 282 T C 0.524 175.083 174.700 -0.235 0.000 1.089 282 T CA -0.113 61.768 62.100 -0.364 0.000 0.989 282 T CB -0.487 68.059 68.868 -0.537 0.000 0.992 282 T HN 0.331 nan 8.240 nan 0.000 0.540 283 N N 0.707 119.258 118.700 -0.247 0.000 2.725 283 N HA -0.213 4.527 4.740 0.000 0.000 0.249 283 N C -0.906 174.669 175.510 0.109 0.000 1.103 283 N CA 0.501 53.538 53.050 -0.023 0.000 0.707 283 N CB -1.430 37.084 38.487 0.044 0.000 1.043 283 N HN 0.732 nan 8.380 nan 0.000 0.553 284 W N -1.553 119.616 121.300 -0.218 0.000 4.973 284 W HA -0.249 4.411 4.660 0.000 0.000 0.350 284 W C 1.119 177.668 176.519 0.050 0.000 1.280 284 W CA 0.763 57.974 57.345 -0.223 0.000 0.854 284 W CB -2.499 26.778 29.460 -0.305 0.000 2.367 284 W HN 0.482 nan 8.180 nan 0.000 1.511 285 N N 0.941 119.745 118.700 0.173 0.000 2.383 285 N HA -0.088 4.652 4.740 0.000 0.000 0.192 285 N C 0.507 176.173 175.510 0.261 0.000 1.141 285 N CA 1.667 54.844 53.050 0.212 0.000 0.851 285 N CB -0.387 38.185 38.487 0.142 0.000 0.976 285 N HN 0.567 nan 8.380 nan 0.000 0.465 286 H N -3.929 115.178 119.070 0.062 0.000 2.932 286 H HA 0.445 5.001 4.556 0.000 0.000 0.307 286 H C -1.450 173.911 175.328 0.055 0.000 1.391 286 H CA -0.721 55.308 56.048 -0.031 0.000 1.130 286 H CB 0.190 29.890 29.762 -0.103 0.000 1.836 286 H HN -0.121 nan 8.280 nan 0.000 0.522 287 S N -0.082 115.564 115.700 -0.091 0.000 2.707 287 S HA 0.638 5.108 4.470 0.000 0.000 0.276 287 S C 0.216 174.759 174.600 -0.095 0.000 1.179 287 S CA -0.092 58.074 58.200 -0.057 0.000 0.992 287 S CB 1.443 64.656 63.200 0.022 0.000 1.030 287 S HN 0.704 nan 8.310 nan 0.000 0.554 288 V N -1.095 118.787 119.914 -0.052 0.000 3.007 288 V HA 0.683 4.803 4.120 0.000 0.000 0.311 288 V C -1.172 174.895 176.094 -0.046 0.000 1.120 288 V CA -1.156 61.131 62.300 -0.021 0.000 0.980 288 V CB 0.938 32.771 31.823 0.018 0.000 1.033 288 V HN 0.667 nan 8.190 nan 0.000 0.429 289 F N 1.283 121.266 119.950 0.055 0.000 2.471 289 F HA 0.334 4.861 4.527 0.000 0.000 0.353 289 F C 1.092 177.003 175.800 0.185 0.000 1.113 289 F CA 0.306 58.365 58.000 0.098 0.000 1.262 289 F CB 0.573 39.511 39.000 -0.103 0.000 1.146 289 F HN 0.681 nan 8.300 nan 0.000 0.578 290 D N 3.494 124.170 120.400 0.459 0.000 2.551 290 D HA 0.082 4.722 4.640 0.000 0.000 0.223 290 D C 1.095 177.564 176.300 0.282 0.000 1.144 290 D CA 0.198 54.374 54.000 0.292 0.000 1.025 290 D CB 0.316 41.248 40.800 0.221 0.000 1.085 290 D HN 0.291 nan 8.370 nan 0.000 0.506 291 V N 4.037 124.075 119.914 0.206 0.000 2.407 291 V HA -0.160 3.960 4.120 0.000 0.000 0.248 291 V C -0.681 175.450 176.094 0.060 0.000 1.055 291 V CA 1.389 63.683 62.300 -0.011 0.000 1.049 291 V CB -1.052 30.543 31.823 -0.380 0.000 0.662 291 V HN 0.421 nan 8.190 nan 0.000 0.455 292 P HA -0.152 nan 4.420 nan 0.000 0.215 292 P C 1.939 179.285 177.300 0.076 0.000 1.153 292 P CA 1.154 64.320 63.100 0.109 0.000 0.853 292 P CB -0.062 31.679 31.700 0.068 0.000 0.788 293 L N -0.760 120.482 121.223 0.031 0.000 2.046 293 L HA -0.185 4.155 4.340 0.000 0.000 0.208 293 L C 2.425 179.192 176.870 -0.171 0.000 1.077 293 L CA 2.013 56.831 54.840 -0.036 0.000 0.747 293 L CB -1.569 40.496 42.059 0.010 0.000 0.896 293 L HN 0.025 nan 8.230 nan 0.000 0.432 294 H N -1.647 117.198 119.070 -0.375 0.000 2.353 294 H HA -0.260 4.296 4.556 0.000 0.000 0.298 294 H C 1.864 176.953 175.328 -0.397 0.000 1.103 294 H CA 2.525 58.211 56.048 -0.604 0.000 1.293 294 H CB -0.509 28.664 29.762 -0.982 0.000 1.372 294 H HN 0.474 nan 8.280 nan 0.000 0.501 295 Y N 0.170 120.242 120.300 -0.380 0.000 2.293 295 Y HA -0.120 4.430 4.550 0.000 0.000 0.291 295 Y C 2.363 178.142 175.900 -0.201 0.000 1.137 295 Y CA 1.244 59.185 58.100 -0.265 0.000 1.202 295 Y CB -0.285 38.129 38.460 -0.076 0.000 0.990 295 Y HN 0.317 nan 8.280 nan 0.000 0.537 296 N N -0.015 118.641 118.700 -0.074 0.000 2.084 296 N HA -0.144 4.596 4.740 0.000 0.000 0.190 296 N C 1.877 177.121 175.510 -0.444 0.000 1.030 296 N CA 1.243 54.199 53.050 -0.157 0.000 0.849 296 N CB -0.658 37.781 38.487 -0.080 0.000 1.012 296 N HN 0.280 nan 8.380 nan 0.000 0.423 297 L N -0.534 120.457 121.223 -0.387 0.000 2.017 297 L HA -0.210 4.130 4.340 0.000 0.000 0.208 297 L C 2.277 178.816 176.870 -0.552 0.000 1.073 297 L CA 1.340 55.942 54.840 -0.397 0.000 0.745 297 L CB -0.641 41.269 42.059 -0.248 0.000 0.894 297 L HN 0.226 nan 8.230 nan 0.000 0.432 298 Y N 1.142 121.082 120.300 -0.601 0.000 2.114 298 Y HA -0.279 4.272 4.550 0.000 0.000 0.284 298 Y C 2.591 178.236 175.900 -0.425 0.000 1.143 298 Y CA 1.781 59.575 58.100 -0.511 0.000 1.135 298 Y CB -0.168 37.958 38.460 -0.556 0.000 0.980 298 Y HN 0.187 nan 8.280 nan 0.000 0.499 299 N N 0.675 119.060 118.700 -0.525 0.000 2.223 299 N HA -0.180 4.560 4.740 0.000 0.000 0.185 299 N C 1.899 177.036 175.510 -0.622 0.000 1.016 299 N CA 1.295 54.039 53.050 -0.509 0.000 0.863 299 N CB -0.543 37.859 38.487 -0.142 0.000 0.983 299 N HN 0.578 nan 8.380 nan 0.000 0.429 300 A N 0.852 123.048 122.820 -1.041 0.000 1.898 300 A HA -0.114 4.206 4.320 0.000 0.000 0.216 300 A C 2.334 179.329 177.584 -0.982 0.000 1.181 300 A CA 1.877 53.173 52.037 -1.234 0.000 0.620 300 A CB -0.692 17.306 19.000 -1.669 0.000 0.819 300 A HN 0.442 nan 8.150 nan 0.000 0.442 301 S N -1.202 113.768 115.700 -1.217 0.000 2.515 301 S HA 0.000 4.470 4.470 0.000 0.000 0.231 301 S C 1.388 175.886 174.600 -0.170 0.000 0.987 301 S CA 1.023 58.714 58.200 -0.848 0.000 0.936 301 S CB -0.028 62.702 63.200 -0.784 0.000 0.766 301 S HN 0.386 nan 8.310 nan 0.000 0.528 302 K N 0.954 121.168 120.400 -0.309 0.000 2.358 302 K HA 0.352 4.672 4.320 0.000 0.000 0.197 302 K C 0.954 177.517 176.600 -0.063 0.000 1.025 302 K CA 0.206 56.386 56.287 -0.178 0.000 1.104 302 K CB 0.293 32.551 32.500 -0.403 0.000 0.855 302 K HN 0.365 nan 8.250 nan 0.000 0.531 303 S N 0.182 115.866 115.700 -0.026 0.000 2.575 303 S HA 0.096 4.566 4.470 0.000 0.000 0.215 303 S C 1.040 175.686 174.600 0.076 0.000 0.966 303 S CA 0.411 58.636 58.200 0.042 0.000 0.911 303 S CB 0.301 63.562 63.200 0.102 0.000 0.780 303 S HN 0.498 nan 8.310 nan 0.000 0.514 304 G N 1.318 110.175 108.800 0.096 0.000 2.341 304 G HA2 -0.117 3.843 3.960 0.000 0.000 0.292 304 G HA3 -0.117 3.843 3.960 0.000 0.000 0.292 304 G C 0.975 175.886 174.900 0.019 0.000 1.021 304 G CA 0.336 45.431 45.100 -0.008 0.000 0.905 304 G HN 1.272 nan 8.290 nan 0.000 0.508 305 G N -1.171 107.726 108.800 0.163 0.000 2.213 305 G HA2 -0.305 3.656 3.960 0.000 0.000 0.236 305 G HA3 -0.305 3.656 3.960 0.000 0.000 0.236 305 G C 0.861 175.874 174.900 0.190 0.000 0.991 305 G CA 0.753 45.970 45.100 0.195 0.000 0.629 305 G HN 0.807 nan 8.290 nan 0.000 0.517 306 N N -0.293 118.493 118.700 0.142 0.000 2.398 306 N HA 0.144 4.884 4.740 0.000 0.000 0.188 306 N C 0.454 176.031 175.510 0.111 0.000 1.122 306 N CA -0.066 53.045 53.050 0.102 0.000 0.866 306 N CB -0.036 38.478 38.487 0.045 0.000 0.970 306 N HN 0.595 nan 8.380 nan 0.000 0.462 307 Y N 1.735 122.059 120.300 0.041 0.000 2.411 307 Y HA 0.016 4.566 4.550 -0.000 0.000 0.333 307 Y C 0.443 176.376 175.900 0.055 0.000 1.186 307 Y CA -0.318 57.789 58.100 0.012 0.000 1.381 307 Y CB 0.529 38.966 38.460 -0.039 0.000 1.273 307 Y HN -0.090 nan 8.280 nan 0.000 0.546 308 D N 6.571 126.709 120.400 -0.438 0.000 2.402 308 D HA 0.030 4.670 4.640 0.000 0.000 0.235 308 D C 0.808 177.070 176.300 -0.063 0.000 1.226 308 D CA -0.048 53.843 54.000 -0.182 0.000 0.918 308 D CB 0.551 41.217 40.800 -0.224 0.000 1.043 308 D HN 0.648 nan 8.370 nan 0.000 0.506 309 M N 2.811 122.529 119.600 0.197 0.000 2.435 309 M HA -0.125 4.355 4.480 0.000 0.000 0.262 309 M C 1.641 178.070 176.300 0.215 0.000 1.065 309 M CA 0.927 56.403 55.300 0.293 0.000 1.076 309 M CB -0.459 32.317 32.600 0.293 0.000 1.403 309 M HN 0.366 nan 8.290 nan 0.000 0.454 310 R N 0.184 120.772 120.500 0.146 0.000 2.189 310 R HA -0.070 4.270 4.340 0.000 0.000 0.223 310 R C 1.055 177.430 176.300 0.125 0.000 1.092 310 R CA 0.834 57.021 56.100 0.144 0.000 0.989 310 R CB -0.141 30.223 30.300 0.108 0.000 0.876 310 R HN 0.461 nan 8.270 nan 0.000 0.457 311 N N 0.362 119.106 118.700 0.072 0.000 2.236 311 N HA -0.023 4.717 4.740 0.000 0.000 0.196 311 N C 1.259 176.849 175.510 0.134 0.000 1.114 311 N CA 0.107 53.194 53.050 0.062 0.000 0.859 311 N CB 0.275 38.728 38.487 -0.058 0.000 0.982 311 N HN 0.081 nan 8.380 nan 0.000 0.493 312 I N 0.259 120.934 120.570 0.176 0.000 2.290 312 I HA -0.230 3.940 4.170 0.000 0.000 0.253 312 I C 0.875 176.870 176.117 -0.204 0.000 1.112 312 I CA 1.508 62.832 61.300 0.041 0.000 1.377 312 I CB -0.171 37.739 38.000 -0.151 0.000 1.060 312 I HN -0.002 nan 8.210 nan 0.000 0.428 313 F N -0.230 119.776 119.950 0.093 0.000 2.664 313 F HA 0.216 4.743 4.527 0.000 0.000 0.303 313 F C 0.743 176.564 175.800 0.035 0.000 1.092 313 F CA -0.695 57.327 58.000 0.038 0.000 1.305 313 F CB -0.394 38.603 39.000 -0.005 0.000 1.054 313 F HN -0.057 nan 8.300 nan 0.000 0.565 314 N N 0.708 119.513 118.700 0.176 0.000 2.483 314 N HA 0.242 4.982 4.740 0.000 0.000 0.264 314 N C 1.106 176.674 175.510 0.096 0.000 1.197 314 N CA 0.965 54.085 53.050 0.117 0.000 0.927 314 N CB 0.774 39.309 38.487 0.079 0.000 1.065 314 N HN 0.350 nan 8.380 nan 0.000 0.461 315 G N 0.511 109.356 108.800 0.074 0.000 2.153 315 G HA2 -0.289 3.671 3.960 0.000 0.000 0.252 315 G HA3 -0.289 3.671 3.960 0.000 0.000 0.252 315 G C 0.272 175.214 174.900 0.070 0.000 0.994 315 G CA 0.894 46.029 45.100 0.060 0.000 0.698 315 G HN 0.849 nan 8.290 nan 0.000 0.521 316 T N -3.403 111.208 114.554 0.096 0.000 2.943 316 T HA 0.656 5.006 4.350 0.000 0.000 0.284 316 T C 1.432 176.191 174.700 0.098 0.000 1.015 316 T CA -0.038 62.129 62.100 0.111 0.000 1.042 316 T CB 2.178 71.151 68.868 0.176 0.000 1.055 316 T HN 0.448 nan 8.240 nan 0.000 0.500 317 V N 1.794 121.775 119.914 0.111 0.000 2.427 317 V HA -0.094 4.026 4.120 0.000 0.000 0.248 317 V C 2.715 178.884 176.094 0.125 0.000 1.051 317 V CA 1.459 63.838 62.300 0.131 0.000 1.048 317 V CB -0.713 31.192 31.823 0.138 0.000 0.666 317 V HN 0.801 nan 8.190 nan 0.000 0.456 318 V N -0.217 119.766 119.914 0.114 0.000 2.490 318 V HA -0.293 3.827 4.120 0.000 0.000 0.250 318 V C 2.400 178.473 176.094 -0.034 0.000 1.061 318 V CA 2.578 64.913 62.300 0.057 0.000 1.064 318 V CB -0.049 31.808 31.823 0.055 0.000 0.670 318 V HN 0.706 nan 8.190 nan 0.000 0.461 319 Q N -0.777 119.013 119.800 -0.017 0.000 2.049 319 Q HA -0.165 4.175 4.340 0.000 0.000 0.198 319 Q C 2.378 178.318 176.000 -0.102 0.000 0.971 319 Q CA 1.234 56.991 55.803 -0.076 0.000 0.833 319 Q CB -0.039 28.704 28.738 0.010 0.000 0.896 319 Q HN 0.466 nan 8.270 nan 0.000 0.434 320 R N -0.533 119.898 120.500 -0.114 0.000 2.100 320 R HA 0.059 4.399 4.340 0.000 0.000 0.220 320 R C 0.344 176.323 176.300 -0.535 0.000 1.091 320 R CA 0.889 56.800 56.100 -0.315 0.000 0.986 320 R CB 0.037 30.139 30.300 -0.330 0.000 0.888 320 R HN 0.346 nan 8.270 nan 0.000 0.444 321 H N 0.441 119.560 119.070 0.081 0.000 2.429 321 H HA 0.205 4.761 4.556 0.000 0.000 0.231 321 H C -1.782 173.631 175.328 0.141 0.000 1.416 321 H CA -1.855 54.273 56.048 0.134 0.000 1.443 321 H CB 1.425 31.336 29.762 0.249 0.000 1.591 321 H HN -0.025 nan 8.280 nan 0.000 0.507 322 P HA -0.145 nan 4.420 nan 0.000 0.216 322 P C 1.404 178.773 177.300 0.116 0.000 1.153 322 P CA 1.058 64.208 63.100 0.082 0.000 0.858 322 P CB 0.405 32.103 31.700 -0.003 0.000 0.789 323 S N -1.403 114.384 115.700 0.145 0.000 2.481 323 S HA -0.097 4.373 4.470 0.000 0.000 0.231 323 S C 1.003 175.585 174.600 -0.029 0.000 0.996 323 S CA 0.829 59.064 58.200 0.059 0.000 0.942 323 S CB -0.840 62.376 63.200 0.028 0.000 0.768 323 S HN 0.415 nan 8.310 nan 0.000 0.520 324 H N 0.025 119.194 119.070 0.165 0.000 2.581 324 H HA 0.569 5.125 4.556 0.000 0.000 0.275 324 H C 0.075 175.473 175.328 0.117 0.000 1.126 324 H CA -0.086 56.050 56.048 0.148 0.000 1.097 324 H CB 0.376 30.239 29.762 0.168 0.000 1.626 324 H HN 0.238 nan 8.280 nan 0.000 0.565 325 A N 0.890 123.834 122.820 0.206 0.000 2.303 325 A HA 0.575 4.895 4.320 0.000 0.000 0.320 325 A C -0.675 177.000 177.584 0.152 0.000 1.192 325 A CA -0.576 51.559 52.037 0.165 0.000 0.821 325 A CB 0.858 19.956 19.000 0.162 0.000 1.188 325 A HN 0.146 nan 8.150 nan 0.000 0.492 326 V N 3.479 123.441 119.914 0.081 0.000 2.328 326 V HA 0.374 4.495 4.120 0.000 0.000 0.278 326 V C 0.465 176.676 176.094 0.195 0.000 1.021 326 V CA -0.165 62.149 62.300 0.023 0.000 0.838 326 V CB 1.353 32.942 31.823 -0.390 0.000 0.999 326 V HN 1.008 nan 8.190 nan 0.000 0.447 327 T N 3.634 118.334 114.554 0.244 0.000 2.771 327 T HA 0.711 5.061 4.350 0.000 0.000 0.291 327 T C -0.654 174.285 174.700 0.398 0.000 0.954 327 T CA -0.412 61.868 62.100 0.300 0.000 1.045 327 T CB 0.625 69.609 68.868 0.194 0.000 0.917 327 T HN 0.492 nan 8.240 nan 0.000 0.484 328 F N 1.075 121.135 119.950 0.183 0.000 2.603 328 F HA 0.768 5.295 4.527 0.000 0.000 0.317 328 F C -0.023 175.796 175.800 0.032 0.000 1.066 328 F CA -1.800 56.293 58.000 0.156 0.000 0.941 328 F CB 0.724 39.881 39.000 0.262 0.000 1.291 328 F HN 0.238 nan 8.300 nan 0.000 0.472 329 V N -0.131 119.683 119.914 -0.167 0.000 2.492 329 V HA 0.166 4.287 4.120 0.000 0.000 0.241 329 V C -0.057 175.957 176.094 -0.134 0.000 1.041 329 V CA 1.220 63.322 62.300 -0.330 0.000 1.057 329 V CB -0.351 31.107 31.823 -0.609 0.000 0.711 329 V HN 0.824 nan 8.190 nan 0.000 0.468 330 D N -0.960 119.490 120.400 0.084 0.000 2.583 330 D HA 0.401 5.042 4.640 0.000 0.000 0.248 330 D C -1.142 175.023 176.300 -0.226 0.000 1.209 330 D CA -0.251 53.784 54.000 0.057 0.000 0.848 330 D CB 2.649 43.546 40.800 0.162 0.000 1.431 330 D HN 0.356 nan 8.370 nan 0.000 0.436 331 N N -1.455 116.865 118.700 -0.634 0.000 3.439 331 N HA 0.034 4.774 4.740 0.000 0.000 0.313 331 N C 0.697 175.628 175.510 -0.964 0.000 1.598 331 N CA -0.358 51.980 53.050 -1.187 0.000 0.830 331 N CB 0.136 38.251 38.487 -0.619 0.000 1.849 331 N HN 0.417 nan 8.380 nan 0.000 0.598 332 H N -1.381 117.345 119.070 -0.574 0.000 2.546 332 H HA 0.160 4.716 4.556 0.000 0.000 0.277 332 H C -0.308 174.847 175.328 -0.288 0.000 1.004 332 H CA 0.871 56.819 56.048 -0.167 0.000 1.231 332 H CB -0.117 29.720 29.762 0.126 0.000 1.382 332 H HN 0.467 nan 8.280 nan 0.000 0.580 333 D N 1.088 120.936 120.400 -0.920 0.000 2.183 333 D HA -0.089 4.551 4.640 0.000 0.000 0.205 333 D C 2.071 177.955 176.300 -0.694 0.000 0.962 333 D CA 1.659 55.072 54.000 -0.978 0.000 0.849 333 D CB 0.067 39.920 40.800 -1.578 0.000 0.978 333 D HN 0.542 nan 8.370 nan 0.000 0.488 334 S N 0.135 115.534 115.700 -0.501 0.000 2.535 334 S HA -0.028 4.442 4.470 0.000 0.000 0.214 334 S C 1.043 175.630 174.600 -0.023 0.000 0.980 334 S CA -0.433 57.647 58.200 -0.200 0.000 0.907 334 S CB -0.160 62.982 63.200 -0.097 0.000 0.790 334 S HN 0.311 nan 8.310 nan 0.000 0.510 335 Q N 1.331 121.075 119.800 -0.094 0.000 2.535 335 Q HA 0.342 4.682 4.340 0.000 0.000 0.228 335 Q C -2.774 173.018 176.000 -0.347 0.000 1.062 335 Q CA -1.767 53.895 55.803 -0.235 0.000 0.967 335 Q CB -0.869 27.838 28.738 -0.053 0.000 1.273 335 Q HN 0.065 nan 8.270 nan 0.000 0.554 336 P HA -0.153 nan 4.420 nan 0.000 0.264 336 P C -0.984 176.155 177.300 -0.268 0.000 1.183 336 P CA 0.869 63.761 63.100 -0.346 0.000 0.763 336 P CB 0.262 31.746 31.700 -0.361 0.000 0.807 337 E N 0.236 120.379 120.200 -0.094 0.000 2.257 337 E HA -0.224 4.126 4.350 0.000 0.000 0.217 337 E C -0.771 175.784 176.600 -0.075 0.000 1.248 337 E CA 0.476 56.870 56.400 -0.011 0.000 0.691 337 E CB -0.813 28.968 29.700 0.136 0.000 1.185 337 E HN 0.350 nan 8.360 nan 0.000 0.377 338 E N -1.194 118.897 120.200 -0.181 0.000 2.393 338 E HA 0.448 4.798 4.350 0.000 0.000 0.273 338 E C 0.575 177.019 176.600 -0.261 0.000 0.918 338 E CA 0.089 56.286 56.400 -0.337 0.000 0.773 338 E CB 1.228 30.657 29.700 -0.452 0.000 1.275 338 E HN 0.165 nan 8.360 nan 0.000 0.451 339 A N 1.306 123.946 122.820 -0.300 0.000 1.940 339 A HA -0.114 4.206 4.320 0.000 0.000 0.219 339 A C 1.514 178.989 177.584 -0.180 0.000 1.176 339 A CA 1.417 53.328 52.037 -0.210 0.000 0.631 339 A CB -0.326 18.542 19.000 -0.221 0.000 0.814 339 A HN 0.464 nan 8.150 nan 0.000 0.446 340 L N 0.026 121.085 121.223 -0.273 0.000 2.848 340 L HA 0.174 4.514 4.340 0.000 0.000 0.240 340 L C 0.547 177.326 176.870 -0.152 0.000 1.232 340 L CA -0.427 54.291 54.840 -0.203 0.000 1.031 340 L CB -0.268 41.527 42.059 -0.440 0.000 1.338 340 L HN 0.460 nan 8.230 nan 0.000 0.509 341 E N 1.931 122.042 120.200 -0.149 0.000 2.608 341 E HA -0.062 4.288 4.350 0.000 0.000 0.259 341 E C 0.015 176.545 176.600 -0.118 0.000 0.951 341 E CA 0.641 56.974 56.400 -0.111 0.000 0.945 341 E CB 0.452 30.110 29.700 -0.070 0.000 0.916 341 E HN 0.315 nan 8.360 nan 0.000 0.477 342 S N 4.309 119.905 115.700 -0.173 0.000 2.631 342 S HA 0.090 4.560 4.470 0.000 0.000 0.159 342 S C -0.636 173.794 174.600 -0.285 0.000 0.896 342 S CA -0.745 56.990 58.200 -0.774 0.000 1.022 342 S CB -0.916 61.754 63.200 -0.884 0.000 1.722 342 S HN 0.459 nan 8.310 nan 0.000 0.520 343 F N 2.440 122.375 119.950 -0.026 0.000 2.506 343 F HA 0.393 4.920 4.527 0.000 0.000 0.371 343 F C 0.593 176.562 175.800 0.282 0.000 1.078 343 F CA -0.471 57.622 58.000 0.156 0.000 1.195 343 F CB 0.739 39.826 39.000 0.144 0.000 1.099 343 F HN 0.233 nan 8.300 nan 0.000 0.548 344 V N 6.594 126.433 119.914 -0.126 0.000 2.485 344 V HA -0.075 4.045 4.120 0.000 0.000 0.287 344 V C 0.362 176.317 176.094 -0.230 0.000 1.022 344 V CA -0.205 61.999 62.300 -0.161 0.000 1.067 344 V CB 0.163 31.857 31.823 -0.216 0.000 0.967 344 V HN 0.690 nan 8.190 nan 0.000 0.479 345 E N 3.395 123.530 120.200 -0.107 0.000 2.437 345 E HA -0.070 4.280 4.350 0.000 0.000 0.263 345 E C 1.131 177.692 176.600 -0.064 0.000 1.030 345 E CA 0.135 56.535 56.400 0.000 0.000 0.934 345 E CB 0.752 30.541 29.700 0.150 0.000 0.943 345 E HN 0.783 nan 8.360 nan 0.000 0.444 346 E N 4.039 124.294 120.200 0.091 0.000 2.070 346 E HA -0.222 4.128 4.350 0.000 0.000 0.197 346 E C 1.764 178.425 176.600 0.102 0.000 1.004 346 E CA 1.868 58.327 56.400 0.099 0.000 0.805 346 E CB -0.113 29.688 29.700 0.169 0.000 0.744 346 E HN 0.803 nan 8.360 nan 0.000 0.451 347 W N -0.114 121.236 121.300 0.083 0.000 2.342 347 W HA -0.200 4.460 4.660 0.000 0.000 0.297 347 W C 1.636 178.216 176.519 0.101 0.000 1.213 347 W CA 0.398 57.791 57.345 0.079 0.000 1.251 347 W CB -1.142 28.367 29.460 0.082 0.000 1.136 347 W HN 0.100 nan 8.180 nan 0.000 0.526 348 F N 2.307 121.651 119.950 -1.009 0.000 2.569 348 F HA 0.115 4.642 4.527 0.000 0.000 0.295 348 F C 2.629 178.147 175.800 -0.469 0.000 1.115 348 F CA 1.379 58.770 58.000 -1.014 0.000 1.450 348 F CB -0.372 37.758 39.000 -1.450 0.000 1.107 348 F HN -0.246 nan 8.300 nan 0.000 0.563 349 K N 1.296 121.565 120.400 -0.218 0.000 2.059 349 K HA -0.192 4.128 4.320 0.000 0.000 0.212 349 K C -0.857 175.709 176.600 -0.056 0.000 1.050 349 K CA 2.197 58.421 56.287 -0.105 0.000 0.927 349 K CB -1.234 31.267 32.500 0.003 0.000 0.714 349 K HN 0.179 nan 8.250 nan 0.000 0.447 350 P HA -0.151 nan 4.420 nan 0.000 0.217 350 P C 1.125 178.340 177.300 -0.141 0.000 1.150 350 P CA 1.147 64.224 63.100 -0.039 0.000 0.832 350 P CB 0.038 31.704 31.700 -0.057 0.000 0.787 351 L N 0.159 121.149 121.223 -0.388 0.000 2.056 351 L HA -0.077 4.263 4.340 0.000 0.000 0.207 351 L C 2.875 179.477 176.870 -0.447 0.000 1.078 351 L CA 1.983 56.519 54.840 -0.507 0.000 0.749 351 L CB -1.876 39.599 42.059 -0.972 0.000 0.901 351 L HN -0.064 nan 8.230 nan 0.000 0.433 352 A N -1.491 120.995 122.820 -0.556 0.000 1.902 352 A HA -0.239 4.081 4.320 0.000 0.000 0.217 352 A C 2.190 179.644 177.584 -0.217 0.000 1.181 352 A CA 1.548 53.383 52.037 -0.337 0.000 0.623 352 A CB -0.955 17.870 19.000 -0.291 0.000 0.818 352 A HN 0.404 nan 8.150 nan 0.000 0.443 353 Y N -0.205 120.054 120.300 -0.068 0.000 2.352 353 Y HA 0.013 4.563 4.550 0.000 0.000 0.292 353 Y C 2.759 178.690 175.900 0.051 0.000 1.136 353 Y CA 0.590 58.698 58.100 0.013 0.000 1.227 353 Y CB -0.317 38.153 38.460 0.016 0.000 0.991 353 Y HN 0.345 nan 8.280 nan 0.000 0.545 354 A N -0.528 122.388 122.820 0.160 0.000 1.929 354 A HA -0.075 4.245 4.320 0.000 0.000 0.216 354 A C 2.120 179.933 177.584 0.382 0.000 1.176 354 A CA 1.030 53.191 52.037 0.208 0.000 0.628 354 A CB -0.860 18.199 19.000 0.099 0.000 0.816 354 A HN 0.449 nan 8.150 nan 0.000 0.444 355 L N -0.039 121.359 121.223 0.291 0.000 2.201 355 L HA -0.121 4.220 4.340 0.000 0.000 0.212 355 L C 2.811 179.790 176.870 0.181 0.000 1.105 355 L CA 1.710 56.717 54.840 0.279 0.000 0.775 355 L CB -0.295 41.818 42.059 0.089 0.000 0.913 355 L HN 0.677 nan 8.230 nan 0.000 0.440 356 T N -4.153 110.486 114.554 0.142 0.000 3.039 356 T HA 0.081 4.431 4.350 0.000 0.000 0.250 356 T C 1.721 176.509 174.700 0.146 0.000 1.052 356 T CA 0.111 62.290 62.100 0.131 0.000 1.125 356 T CB -0.136 68.792 68.868 0.101 0.000 0.908 356 T HN 0.144 nan 8.240 nan 0.000 0.473 357 L N 1.858 123.191 121.223 0.184 0.000 2.209 357 L HA 0.144 4.484 4.340 0.000 0.000 0.207 357 L C 2.886 179.830 176.870 0.124 0.000 1.094 357 L CA 1.437 56.374 54.840 0.162 0.000 0.790 357 L CB -0.497 41.673 42.059 0.185 0.000 0.932 357 L HN 0.478 nan 8.230 nan 0.000 0.447 358 T N -3.280 111.396 114.554 0.203 0.000 3.086 358 T HA 0.151 4.501 4.350 0.000 0.000 0.250 358 T C 0.926 175.773 174.700 0.246 0.000 1.074 358 T CA -0.303 61.944 62.100 0.246 0.000 0.988 358 T CB 0.101 69.192 68.868 0.372 0.000 0.988 358 T HN 0.083 nan 8.240 nan 0.000 0.530 359 R N 1.300 121.824 120.500 0.040 0.000 2.536 359 R HA 0.359 4.699 4.340 0.000 0.000 0.279 359 R C 1.432 177.650 176.300 -0.137 0.000 1.001 359 R CA -0.273 55.704 56.100 -0.204 0.000 1.027 359 R CB 0.967 30.968 30.300 -0.498 0.000 1.096 359 R HN 0.517 nan 8.270 nan 0.000 0.502 360 E N 0.766 120.875 120.200 -0.152 0.000 2.358 360 E HA -0.110 4.240 4.350 0.000 0.000 0.195 360 E C -0.458 176.078 176.600 -0.106 0.000 1.010 360 E CA 0.692 57.024 56.400 -0.114 0.000 0.856 360 E CB 0.297 29.947 29.700 -0.083 0.000 0.795 360 E HN 0.399 nan 8.360 nan 0.000 0.504 361 Q N 0.646 120.362 119.800 -0.141 0.000 2.222 361 Q HA 0.567 4.907 4.340 0.000 0.000 0.252 361 Q C 0.006 175.974 176.000 -0.054 0.000 0.926 361 Q CA 0.119 55.859 55.803 -0.106 0.000 0.899 361 Q CB 1.950 30.596 28.738 -0.153 0.000 1.250 361 Q HN 0.336 nan 8.270 nan 0.000 0.441 362 G N 0.529 109.334 108.800 0.009 0.000 2.712 362 G HA2 -0.188 3.772 3.960 0.000 0.000 0.686 362 G HA3 -0.188 3.772 3.960 0.000 0.000 0.686 362 G C -1.923 173.071 174.900 0.157 0.000 1.321 362 G CA -0.893 44.260 45.100 0.087 0.000 0.813 362 G HN 0.487 nan 8.290 nan 0.000 0.599 363 Y N 3.763 124.088 120.300 0.040 0.000 2.587 363 Y HA 0.564 5.114 4.550 0.000 0.000 0.328 363 Y C -1.885 174.072 175.900 0.095 0.000 0.980 363 Y CA -3.022 55.097 58.100 0.032 0.000 1.272 363 Y CB 1.213 39.670 38.460 -0.004 0.000 1.094 363 Y HN 0.545 nan 8.280 nan 0.000 0.503 364 P HA 0.102 nan 4.420 nan 0.000 0.271 364 P C -0.614 176.801 177.300 0.191 0.000 1.218 364 P CA 0.022 63.260 63.100 0.229 0.000 0.780 364 P CB 1.682 33.518 31.700 0.228 0.000 0.901 365 S N 1.568 117.438 115.700 0.284 0.000 2.521 365 S HA 0.468 4.938 4.470 0.000 0.000 0.295 365 S C -0.883 173.988 174.600 0.453 0.000 1.098 365 S CA -0.682 57.727 58.200 0.349 0.000 0.999 365 S CB 0.774 64.263 63.200 0.481 0.000 1.034 365 S HN 0.171 nan 8.310 nan 0.000 0.483 366 V N 5.322 125.469 119.914 0.389 0.000 2.398 366 V HA 0.487 4.607 4.120 0.000 0.000 0.286 366 V C -0.428 175.921 176.094 0.425 0.000 1.026 366 V CA -0.766 61.773 62.300 0.399 0.000 0.868 366 V CB 1.053 32.923 31.823 0.078 0.000 0.982 366 V HN 0.848 nan 8.190 nan 0.000 0.443 367 F N 4.926 125.077 119.950 0.335 0.000 2.424 367 F HA 0.302 4.829 4.527 0.000 0.000 0.356 367 F C 0.844 176.760 175.800 0.193 0.000 1.110 367 F CA -1.262 56.885 58.000 0.245 0.000 1.161 367 F CB 0.649 39.835 39.000 0.309 0.000 1.115 367 F HN 0.630 nan 8.300 nan 0.000 0.507 368 Y N 5.217 125.338 120.300 -0.299 0.000 2.139 368 Y HA -0.173 4.377 4.550 0.000 0.000 0.282 368 Y C 2.123 177.683 175.900 -0.566 0.000 1.179 368 Y CA 2.235 60.098 58.100 -0.395 0.000 1.161 368 Y CB -0.560 37.660 38.460 -0.400 0.000 0.970 368 Y HN 0.690 nan 8.280 nan 0.000 0.511 369 G N -0.416 107.678 108.800 -1.177 0.000 2.442 369 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 369 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 369 G C 1.309 176.092 174.900 -0.194 0.000 1.141 369 G CA 1.226 45.868 45.100 -0.763 0.000 0.763 369 G HN 0.424 nan 8.290 nan 0.000 0.554 370 D N -0.964 119.405 120.400 -0.052 0.000 2.162 370 D HA -0.039 4.601 4.640 0.000 0.000 0.203 370 D C 1.893 178.181 176.300 -0.020 0.000 0.967 370 D CA 0.467 54.566 54.000 0.165 0.000 0.840 370 D CB -0.259 40.770 40.800 0.382 0.000 0.972 370 D HN 0.409 nan 8.370 nan 0.000 0.482 371 Y N -0.179 119.947 120.300 -0.290 0.000 2.133 371 Y HA -0.246 4.304 4.550 0.000 0.000 0.287 371 Y C 1.573 177.145 175.900 -0.546 0.000 1.134 371 Y CA 1.525 59.329 58.100 -0.492 0.000 1.133 371 Y CB -0.002 38.054 38.460 -0.673 0.000 0.987 371 Y HN -0.089 nan 8.280 nan 0.000 0.502 372 Y N -0.055 120.063 120.300 -0.303 0.000 2.449 372 Y HA 0.382 4.932 4.550 0.000 0.000 0.254 372 Y C 1.060 176.830 175.900 -0.216 0.000 1.140 372 Y CA 0.165 58.048 58.100 -0.360 0.000 1.272 372 Y CB 0.278 38.361 38.460 -0.629 0.000 1.114 372 Y HN 0.205 nan 8.280 nan 0.000 0.525 373 G N 0.820 109.603 108.800 -0.028 0.000 2.712 373 G HA2 -0.169 3.791 3.960 0.000 0.000 0.683 373 G HA3 -0.169 3.791 3.960 0.000 0.000 0.683 373 G C -0.865 174.082 174.900 0.079 0.000 1.320 373 G CA -0.567 44.558 45.100 0.043 0.000 0.847 373 G HN 0.095 nan 8.290 nan 0.000 0.553 374 I N 2.018 122.650 120.570 0.103 0.000 2.796 374 I HA 0.230 4.401 4.170 0.000 0.000 0.279 374 I C -1.183 175.007 176.117 0.121 0.000 1.289 374 I CA -1.685 59.687 61.300 0.120 0.000 1.021 374 I CB 2.071 40.124 38.000 0.089 0.000 1.414 374 I HN 0.410 nan 8.210 nan 0.000 0.562 375 P HA -0.228 nan 4.420 nan 0.000 0.217 375 P C 1.434 178.763 177.300 0.048 0.000 1.148 375 P CA 1.781 64.922 63.100 0.067 0.000 0.834 375 P CB -0.135 31.598 31.700 0.054 0.000 0.783 376 T N -4.523 110.080 114.554 0.081 0.000 2.962 376 T HA -0.119 4.232 4.350 0.000 0.000 0.270 376 T C 0.995 175.573 174.700 -0.204 0.000 1.088 376 T CA 1.171 63.261 62.100 -0.017 0.000 1.127 376 T CB -0.976 67.920 68.868 0.047 0.000 0.883 376 T HN 0.244 nan 8.240 nan 0.000 0.493 377 H N 0.003 119.010 119.070 -0.105 0.000 2.567 377 H HA 0.522 5.078 4.556 0.000 0.000 0.267 377 H C 1.496 176.798 175.328 -0.043 0.000 1.148 377 H CA -0.660 55.321 56.048 -0.112 0.000 1.031 377 H CB 0.258 29.916 29.762 -0.172 0.000 1.691 377 H HN 0.413 nan 8.280 nan 0.000 0.588 378 G N 0.663 109.496 108.800 0.055 0.000 2.168 378 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 378 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 378 G C 0.003 174.962 174.900 0.099 0.000 0.997 378 G CA 0.529 45.665 45.100 0.061 0.000 0.708 378 G HN 0.281 nan 8.290 nan 0.000 0.520 379 V N 3.125 123.113 119.914 0.123 0.000 2.368 379 V HA 0.378 4.498 4.120 0.000 0.000 0.266 379 V C -0.803 175.367 176.094 0.126 0.000 1.045 379 V CA -1.238 61.163 62.300 0.168 0.000 0.899 379 V CB 1.227 33.184 31.823 0.223 0.000 1.006 379 V HN 0.296 nan 8.190 nan 0.000 0.470 380 P HA 0.235 nan 4.420 nan 0.000 0.274 380 P C -0.413 176.910 177.300 0.038 0.000 1.237 380 P CA -0.301 62.836 63.100 0.061 0.000 0.793 380 P CB 1.046 32.776 31.700 0.050 0.000 0.977 381 A N 2.733 125.549 122.820 -0.006 0.000 2.450 381 A HA 0.267 4.587 4.320 0.000 0.000 0.255 381 A C 0.953 178.467 177.584 -0.117 0.000 1.096 381 A CA -0.088 51.904 52.037 -0.074 0.000 0.778 381 A CB -0.581 18.371 19.000 -0.080 0.000 1.031 381 A HN 0.550 nan 8.150 nan 0.000 0.494 382 M N 2.371 121.868 119.600 -0.171 0.000 2.576 382 M HA 0.080 4.560 4.480 0.000 0.000 0.322 382 M C 1.701 177.818 176.300 -0.305 0.000 1.184 382 M CA -0.037 55.163 55.300 -0.166 0.000 0.967 382 M CB 0.203 32.759 32.600 -0.073 0.000 1.372 382 M HN 0.930 nan 8.290 nan 0.000 0.509 383 R N 0.041 120.216 120.500 -0.541 0.000 2.152 383 R HA -0.083 4.257 4.340 0.000 0.000 0.232 383 R C 1.971 178.022 176.300 -0.415 0.000 1.117 383 R CA 1.889 57.487 56.100 -0.837 0.000 0.981 383 R CB -0.960 28.425 30.300 -1.524 0.000 0.870 383 R HN 0.349 nan 8.270 nan 0.000 0.451 384 S N 1.016 116.551 115.700 -0.274 0.000 2.423 384 S HA -0.072 4.398 4.470 0.000 0.000 0.231 384 S C 1.659 176.182 174.600 -0.128 0.000 1.014 384 S CA 0.902 59.005 58.200 -0.162 0.000 0.965 384 S CB -0.008 63.123 63.200 -0.115 0.000 0.785 384 S HN 0.444 nan 8.310 nan 0.000 0.495 385 K N 0.189 120.508 120.400 -0.136 0.000 2.356 385 K HA 0.379 4.699 4.320 0.000 0.000 0.195 385 K C 1.669 178.206 176.600 -0.106 0.000 1.037 385 K CA 0.392 56.619 56.287 -0.100 0.000 1.014 385 K CB -0.004 32.451 32.500 -0.074 0.000 0.815 385 K HN 0.408 nan 8.250 nan 0.000 0.507 386 I N 0.948 121.426 120.570 -0.153 0.000 2.585 386 I HA -0.151 4.019 4.170 0.000 0.000 0.254 386 I C 1.326 177.409 176.117 -0.058 0.000 1.129 386 I CA 0.682 61.891 61.300 -0.152 0.000 1.455 386 I CB -0.024 37.825 38.000 -0.252 0.000 1.111 386 I HN 0.028 nan 8.210 nan 0.000 0.433 387 D N 1.528 121.904 120.400 -0.041 0.000 2.116 387 D HA -0.161 4.479 4.640 0.000 0.000 0.193 387 D C -0.515 175.785 176.300 -0.000 0.000 0.998 387 D CA 1.656 55.663 54.000 0.011 0.000 0.836 387 D CB -1.603 39.193 40.800 -0.008 0.000 0.951 387 D HN 0.243 nan 8.370 nan 0.000 0.449 388 P HA -0.054 nan 4.420 nan 0.000 0.216 388 P C 1.662 178.955 177.300 -0.011 0.000 1.153 388 P CA 0.823 63.907 63.100 -0.027 0.000 0.848 388 P CB 0.007 31.671 31.700 -0.061 0.000 0.787 389 I N -1.694 118.869 120.570 -0.011 0.000 2.394 389 I HA -0.185 3.985 4.170 0.000 0.000 0.251 389 I C 2.196 178.338 176.117 0.042 0.000 1.136 389 I CA 1.147 62.458 61.300 0.018 0.000 1.425 389 I CB -0.607 37.416 38.000 0.039 0.000 1.079 389 I HN -0.086 nan 8.210 nan 0.000 0.425 390 L N 0.494 121.737 121.223 0.033 0.000 2.093 390 L HA -0.189 4.151 4.340 0.000 0.000 0.208 390 L C 2.630 179.525 176.870 0.043 0.000 1.085 390 L CA 1.338 56.201 54.840 0.039 0.000 0.755 390 L CB -0.452 41.626 42.059 0.032 0.000 0.904 390 L HN 0.302 nan 8.230 nan 0.000 0.435 391 E N 0.326 120.555 120.200 0.048 0.000 2.150 391 E HA -0.207 4.143 4.350 0.000 0.000 0.193 391 E C 2.195 178.865 176.600 0.116 0.000 0.985 391 E CA 0.965 57.404 56.400 0.065 0.000 0.814 391 E CB 0.086 29.829 29.700 0.071 0.000 0.752 391 E HN 0.449 nan 8.360 nan 0.000 0.466 392 A N 1.623 124.520 122.820 0.130 0.000 1.877 392 A HA -0.203 4.117 4.320 0.000 0.000 0.216 392 A C 2.213 179.865 177.584 0.112 0.000 1.186 392 A CA 1.609 53.765 52.037 0.198 0.000 0.620 392 A CB -0.554 18.492 19.000 0.077 0.000 0.822 392 A HN 0.236 nan 8.150 nan 0.000 0.443 393 R N -0.617 119.904 120.500 0.034 0.000 2.066 393 R HA -0.181 4.159 4.340 0.000 0.000 0.232 393 R C 2.456 178.692 176.300 -0.108 0.000 1.131 393 R CA 1.796 57.859 56.100 -0.062 0.000 0.955 393 R CB -0.369 29.921 30.300 -0.016 0.000 0.851 393 R HN 0.704 nan 8.270 nan 0.000 0.432 394 Q N 0.253 120.053 119.800 0.000 0.000 2.084 394 Q HA -0.187 4.154 4.340 0.000 0.000 0.202 394 Q C 1.221 177.306 176.000 0.142 0.000 0.978 394 Q CA 1.975 57.816 55.803 0.062 0.000 0.844 394 Q CB 0.209 28.971 28.738 0.040 0.000 0.898 394 Q HN 0.330 nan 8.270 nan 0.000 0.426 395 K N -1.920 118.470 120.400 -0.015 0.000 2.370 395 K HA 0.048 4.368 4.320 0.000 0.000 0.194 395 K C 0.966 177.344 176.600 -0.371 0.000 1.070 395 K CA 0.324 56.459 56.287 -0.253 0.000 0.998 395 K CB 0.571 32.654 32.500 -0.695 0.000 0.911 395 K HN 0.185 nan 8.250 nan 0.000 0.533 396 Y N -0.099 120.276 120.300 0.125 0.000 2.526 396 Y HA 0.338 4.888 4.550 0.000 0.000 0.265 396 Y C 0.946 176.845 175.900 -0.002 0.000 1.092 396 Y CA -0.665 57.474 58.100 0.065 0.000 1.277 396 Y CB 0.491 38.910 38.460 -0.068 0.000 1.228 396 Y HN -0.150 nan 8.280 nan 0.000 0.507 397 A N 0.844 123.595 122.820 -0.114 0.000 3.026 397 A HA 0.370 4.690 4.320 0.000 0.000 0.272 397 A C -1.257 175.942 177.584 -0.643 0.000 1.782 397 A CA 0.374 52.248 52.037 -0.272 0.000 1.451 397 A CB -1.802 17.054 19.000 -0.240 0.000 1.081 397 A HN 0.348 nan 8.150 nan 0.000 0.611 398 Y N -0.386 119.894 120.300 -0.034 0.000 2.581 398 Y HA 0.623 5.173 4.550 0.000 0.000 0.345 398 Y C 0.778 176.677 175.900 -0.002 0.000 1.036 398 Y CA -0.150 57.898 58.100 -0.087 0.000 1.042 398 Y CB 1.676 40.001 38.460 -0.225 0.000 1.289 398 Y HN 1.051 nan 8.280 nan 0.000 0.471 399 G N 1.426 110.329 108.800 0.171 0.000 2.760 399 G HA2 -0.221 3.739 3.960 0.000 0.000 0.246 399 G HA3 -0.221 3.739 3.960 0.000 0.000 0.246 399 G C -0.713 174.243 174.900 0.093 0.000 1.359 399 G CA -0.573 44.602 45.100 0.126 0.000 0.861 399 G HN 0.810 nan 8.290 nan 0.000 0.541 400 K N 0.103 120.557 120.400 0.090 0.000 2.524 400 K HA 0.227 4.547 4.320 0.000 0.000 0.279 400 K C 0.455 177.113 176.600 0.096 0.000 0.993 400 K CA 0.851 57.187 56.287 0.083 0.000 1.030 400 K CB 0.244 32.801 32.500 0.095 0.000 0.891 400 K HN 0.724 nan 8.250 nan 0.000 0.488 401 Q N 3.523 123.369 119.800 0.077 0.000 2.322 401 Q HA 0.211 4.551 4.340 0.000 0.000 0.265 401 Q C -1.353 174.707 176.000 0.101 0.000 0.985 401 Q CA -0.830 55.032 55.803 0.098 0.000 0.849 401 Q CB 1.097 29.856 28.738 0.035 0.000 1.274 401 Q HN 0.570 nan 8.270 nan 0.000 0.449 402 N N 3.766 122.569 118.700 0.171 0.000 2.446 402 N HA 0.262 5.002 4.740 0.000 0.000 0.265 402 N C -1.553 174.031 175.510 0.122 0.000 0.975 402 N CA -0.459 52.663 53.050 0.119 0.000 0.928 402 N CB 1.588 40.212 38.487 0.229 0.000 1.160 402 N HN 0.571 nan 8.380 nan 0.000 0.495 403 D N 0.830 121.196 120.400 -0.057 0.000 2.255 403 D HA 0.237 4.877 4.640 0.000 0.000 0.249 403 D C -0.306 175.852 176.300 -0.237 0.000 1.078 403 D CA 0.243 54.258 54.000 0.025 0.000 0.896 403 D CB 0.885 41.697 40.800 0.019 0.000 1.194 403 D HN 0.426 nan 8.370 nan 0.000 0.429 404 Y N 0.912 121.386 120.300 0.290 0.000 2.624 404 Y HA 0.246 4.796 4.550 0.001 0.000 0.302 404 Y C -0.067 175.996 175.900 0.272 0.000 0.939 404 Y CA -0.305 57.951 58.100 0.260 0.000 1.116 404 Y CB 0.297 38.908 38.460 0.252 0.000 1.173 404 Y HN 0.140 nan 8.280 nan 0.000 0.631 405 L N 2.000 123.426 121.223 0.338 0.000 2.648 405 L HA 0.216 4.556 4.340 0.000 0.000 0.238 405 L C 0.019 177.041 176.870 0.252 0.000 1.316 405 L CA 0.040 55.070 54.840 0.316 0.000 1.241 405 L CB -0.232 42.004 42.059 0.295 0.000 1.499 405 L HN 0.375 nan 8.230 nan 0.000 0.411 406 D N -2.313 118.256 120.400 0.280 0.000 2.440 406 D HA 0.041 4.681 4.640 0.000 0.000 0.216 406 D C 0.405 176.869 176.300 0.273 0.000 1.150 406 D CA -0.051 54.097 54.000 0.247 0.000 0.832 406 D CB 0.270 41.227 40.800 0.261 0.000 0.992 406 D HN 0.271 nan 8.370 nan 0.000 0.502 407 H N -0.186 118.967 119.070 0.139 0.000 2.930 407 H HA 0.146 4.703 4.556 0.000 0.000 0.371 407 H C 0.347 175.712 175.328 0.062 0.000 1.169 407 H CA -0.462 55.628 56.048 0.069 0.000 1.157 407 H CB 1.576 31.342 29.762 0.007 0.000 1.789 407 H HN 0.070 nan 8.280 nan 0.000 0.547 408 H N 2.191 120.996 119.070 -0.440 0.000 2.545 408 H HA 0.050 4.606 4.556 0.000 0.000 0.282 408 H C 0.127 175.437 175.328 -0.029 0.000 1.020 408 H CA 1.334 57.256 56.048 -0.210 0.000 1.243 408 H CB 0.352 29.970 29.762 -0.240 0.000 1.377 408 H HN 0.356 nan 8.280 nan 0.000 0.581 409 N N 0.080 118.667 118.700 -0.188 0.000 2.677 409 N HA 0.190 4.930 4.740 0.000 0.000 0.242 409 N C -0.092 175.576 175.510 0.264 0.000 1.044 409 N CA 0.178 53.320 53.050 0.153 0.000 0.934 409 N CB 1.040 39.612 38.487 0.141 0.000 1.595 409 N HN 0.216 nan 8.380 nan 0.000 0.459 410 I N 3.659 124.465 120.570 0.394 0.000 2.291 410 I HA 0.333 4.503 4.170 0.000 0.000 0.290 410 I C -0.093 176.151 176.117 0.211 0.000 1.050 410 I CA -0.487 60.925 61.300 0.186 0.000 1.245 410 I CB 0.406 38.397 38.000 -0.014 0.000 1.405 410 I HN 0.067 nan 8.210 nan 0.000 0.478 411 I N 2.649 123.340 120.570 0.203 0.000 2.957 411 I HA 1.070 5.240 4.170 0.000 0.000 0.310 411 I C -0.017 176.212 176.117 0.187 0.000 1.063 411 I CA -0.641 60.816 61.300 0.262 0.000 1.033 411 I CB 2.383 40.587 38.000 0.340 0.000 1.230 411 I HN 0.542 nan 8.210 nan 0.000 0.447 412 G N 1.781 110.750 108.800 0.282 0.000 2.506 412 G HA2 0.608 4.568 3.960 0.000 0.000 0.292 412 G HA3 0.608 4.568 3.960 0.000 0.000 0.292 412 G C -2.565 172.586 174.900 0.418 0.000 1.425 412 G CA -0.655 44.477 45.100 0.053 0.000 0.788 412 G HN 1.150 nan 8.290 nan 0.000 0.490 413 W N -0.654 120.784 121.300 0.230 0.000 3.146 413 W HA 0.751 5.411 4.660 0.001 0.000 0.319 413 W C -0.395 176.226 176.519 0.170 0.000 1.258 413 W CA -0.790 56.724 57.345 0.282 0.000 1.189 413 W CB 0.880 30.450 29.460 0.184 0.000 1.412 413 W HN 0.911 nan 8.180 nan 0.000 0.567 414 T N -0.100 114.697 114.554 0.405 0.000 2.924 414 T HA 0.786 5.136 4.350 0.000 0.000 0.291 414 T C -0.787 174.068 174.700 0.259 0.000 1.045 414 T CA -1.126 61.107 62.100 0.222 0.000 1.015 414 T CB 2.027 70.981 68.868 0.142 0.000 1.103 414 T HN 0.594 nan 8.240 nan 0.000 0.496 415 R N 1.439 122.061 120.500 0.203 0.000 2.480 415 R HA 0.379 4.719 4.340 0.000 0.000 0.306 415 R C 0.422 176.818 176.300 0.160 0.000 0.958 415 R CA -0.598 55.607 56.100 0.175 0.000 0.861 415 R CB 1.567 31.961 30.300 0.156 0.000 1.171 415 R HN 0.882 nan 8.270 nan 0.000 0.445 416 E N 1.136 121.412 120.200 0.127 0.000 2.435 416 E HA 0.093 4.444 4.350 0.000 0.000 0.195 416 E C 0.526 177.205 176.600 0.130 0.000 1.029 416 E CA 0.507 56.967 56.400 0.099 0.000 0.865 416 E CB 0.226 29.964 29.700 0.063 0.000 0.833 416 E HN 0.915 nan 8.360 nan 0.000 0.510 417 G N 2.200 111.091 108.800 0.152 0.000 2.814 417 G HA2 -0.213 3.747 3.960 0.000 0.000 0.677 417 G HA3 -0.213 3.747 3.960 0.000 0.000 0.677 417 G C -0.699 174.285 174.900 0.141 0.000 1.429 417 G CA -0.236 44.967 45.100 0.170 0.000 0.868 417 G HN 0.345 nan 8.290 nan 0.000 0.553 418 N N -2.466 116.318 118.700 0.140 0.000 2.455 418 N HA 0.681 5.421 4.740 0.000 0.000 0.278 418 N C 0.987 176.539 175.510 0.069 0.000 1.291 418 N CA 0.297 53.410 53.050 0.105 0.000 0.780 418 N CB 1.126 39.687 38.487 0.123 0.000 1.520 418 N HN 1.073 nan 8.380 nan 0.000 0.486 419 T N -3.510 111.065 114.554 0.035 0.000 2.962 419 T HA -0.040 4.310 4.350 0.000 0.000 0.270 419 T C 1.668 176.330 174.700 -0.064 0.000 1.088 419 T CA 0.921 63.019 62.100 -0.004 0.000 1.127 419 T CB -0.651 68.213 68.868 -0.006 0.000 0.883 419 T HN 0.669 nan 8.240 nan 0.000 0.493 420 A N 1.190 123.963 122.820 -0.078 0.000 2.070 420 A HA 0.002 4.322 4.320 0.000 0.000 0.220 420 A C 0.625 177.876 177.584 -0.554 0.000 1.159 420 A CA 0.833 52.720 52.037 -0.249 0.000 0.656 420 A CB -0.601 18.285 19.000 -0.191 0.000 0.800 420 A HN 0.769 nan 8.150 nan 0.000 0.453 421 H N -1.212 117.712 119.070 -0.244 0.000 2.887 421 H HA 0.392 4.948 4.556 0.000 0.000 0.300 421 H C -2.885 172.332 175.328 -0.184 0.000 1.038 421 H CA -2.230 53.622 56.048 -0.327 0.000 1.352 421 H CB 0.526 29.876 29.762 -0.686 0.000 1.473 421 H HN 0.033 nan 8.280 nan 0.000 0.503 422 P HA -0.152 nan 4.420 nan 0.000 0.256 422 P C 0.411 177.699 177.300 -0.020 0.000 1.173 422 P CA 0.852 63.923 63.100 -0.049 0.000 0.768 422 P CB 0.168 31.827 31.700 -0.069 0.000 0.758 423 N N 0.695 119.413 118.700 0.030 0.000 2.828 423 N HA -0.181 4.559 4.740 0.000 0.000 0.248 423 N C -0.419 175.175 175.510 0.139 0.000 1.044 423 N CA 1.208 54.306 53.050 0.078 0.000 0.851 423 N CB -1.451 37.086 38.487 0.083 0.000 1.136 423 N HN 0.447 nan 8.380 nan 0.000 0.572 424 S N -0.920 114.851 115.700 0.119 0.000 2.576 424 S HA 0.592 5.063 4.470 0.000 0.000 0.272 424 S C 0.816 175.544 174.600 0.213 0.000 1.352 424 S CA 0.319 58.642 58.200 0.205 0.000 1.021 424 S CB 1.659 64.992 63.200 0.221 0.000 0.887 424 S HN 1.316 nan 8.310 nan 0.000 0.542 425 G N 0.102 109.038 108.800 0.226 0.000 2.435 425 G HA2 0.465 4.426 3.960 0.000 0.000 0.603 425 G HA3 0.465 4.426 3.960 0.000 0.000 0.603 425 G C -1.445 173.442 174.900 -0.022 0.000 1.496 425 G CA -0.503 44.688 45.100 0.152 0.000 0.896 425 G HN 1.835 nan 8.290 nan 0.000 0.657 426 L N -1.507 119.768 121.223 0.088 0.000 2.720 426 L HA 1.068 5.408 4.340 0.000 0.000 0.261 426 L C -0.255 176.701 176.870 0.143 0.000 1.046 426 L CA -0.839 54.001 54.840 0.001 0.000 0.886 426 L CB 1.426 43.455 42.059 -0.050 0.000 1.493 426 L HN 2.314 nan 8.230 nan 0.000 0.407 427 A N 0.181 122.997 122.820 -0.006 0.000 2.522 427 A HA 0.763 5.083 4.320 0.000 0.000 0.285 427 A C -0.542 176.817 177.584 -0.375 0.000 1.198 427 A CA -0.317 51.511 52.037 -0.348 0.000 0.742 427 A CB 0.819 19.117 19.000 -1.170 0.000 1.176 427 A HN 0.701 nan 8.150 nan 0.000 0.444 428 T N 2.976 117.209 114.554 -0.535 0.000 2.806 428 T HA 0.587 4.937 4.350 0.000 0.000 0.290 428 T C -0.287 174.017 174.700 -0.660 0.000 0.966 428 T CA 0.115 61.807 62.100 -0.681 0.000 1.060 428 T CB 0.567 68.743 68.868 -1.152 0.000 0.927 428 T HN 0.634 nan 8.240 nan 0.000 0.485 429 I N 5.172 125.521 120.570 -0.369 0.000 2.619 429 I HA 0.677 4.847 4.170 0.000 0.000 0.292 429 I C -1.199 174.833 176.117 -0.142 0.000 1.100 429 I CA -1.267 59.911 61.300 -0.202 0.000 1.043 429 I CB 1.394 39.386 38.000 -0.012 0.000 1.239 429 I HN 0.769 nan 8.210 nan 0.000 0.420 430 M N 4.776 124.325 119.600 -0.086 0.000 2.622 430 M HA 0.643 5.124 4.480 0.000 0.000 0.276 430 M C -1.567 174.766 176.300 0.056 0.000 1.265 430 M CA -0.672 54.608 55.300 -0.033 0.000 0.850 430 M CB 2.148 34.704 32.600 -0.074 0.000 1.720 430 M HN 0.397 nan 8.290 nan 0.000 0.465 431 S N 0.215 115.969 115.700 0.090 0.000 2.614 431 S HA 0.323 4.793 4.470 0.000 0.000 0.275 431 S C -0.631 174.120 174.600 0.251 0.000 1.161 431 S CA -0.485 57.811 58.200 0.160 0.000 0.969 431 S CB 1.392 64.669 63.200 0.128 0.000 1.059 431 S HN 0.904 nan 8.310 nan 0.000 0.482 432 D N 3.145 123.748 120.400 0.338 0.000 2.340 432 D HA 0.213 4.853 4.640 0.000 0.000 0.220 432 D C 0.838 177.389 176.300 0.417 0.000 1.039 432 D CA 0.168 54.495 54.000 0.544 0.000 0.866 432 D CB 0.176 41.318 40.800 0.571 0.000 0.913 432 D HN 0.535 nan 8.370 nan 0.000 0.523 433 G N -0.036 108.923 108.800 0.266 0.000 3.291 433 G HA2 0.547 4.507 3.960 0.000 0.000 0.173 433 G HA3 0.547 4.507 3.960 0.000 0.000 0.173 433 G C -0.745 174.228 174.900 0.122 0.000 1.099 433 G CA -0.181 45.021 45.100 0.169 0.000 0.794 433 G HN 0.292 nan 8.290 nan 0.000 0.651 434 A N -0.456 122.424 122.820 0.100 0.000 2.483 434 A HA 0.571 4.891 4.320 0.000 0.000 0.238 434 A C 1.073 178.696 177.584 0.064 0.000 1.070 434 A CA 0.647 52.727 52.037 0.070 0.000 0.770 434 A CB -0.289 18.749 19.000 0.064 0.000 1.008 434 A HN 1.472 nan 8.150 nan 0.000 0.497 435 G N -0.348 108.480 108.800 0.047 0.000 2.684 435 G HA2 0.588 4.548 3.960 0.000 0.000 0.255 435 G HA3 0.588 4.548 3.960 0.000 0.000 0.255 435 G C 0.414 175.322 174.900 0.013 0.000 1.219 435 G CA 0.288 45.411 45.100 0.038 0.000 0.901 435 G HN 1.849 nan 8.290 nan 0.000 0.548 436 G N -1.540 107.261 108.800 0.002 0.000 2.356 436 G HA2 0.630 4.590 3.960 0.000 0.000 0.281 436 G HA3 0.630 4.590 3.960 0.000 0.000 0.281 436 G C -0.590 174.284 174.900 -0.044 0.000 1.246 436 G CA 0.610 45.689 45.100 -0.034 0.000 0.889 436 G HN 1.789 nan 8.290 nan 0.000 0.486 437 S N -1.087 114.561 115.700 -0.087 0.000 2.685 437 S HA 0.866 5.336 4.470 0.000 0.000 0.282 437 S C -1.171 173.350 174.600 -0.131 0.000 1.159 437 S CA -0.521 57.603 58.200 -0.126 0.000 0.833 437 S CB 2.678 65.745 63.200 -0.221 0.000 1.151 437 S HN 1.027 nan 8.310 nan 0.000 0.485 438 K N 0.273 120.576 120.400 -0.162 0.000 2.570 438 K HA 0.270 4.590 4.320 0.000 0.000 0.256 438 K C -2.101 174.433 176.600 -0.110 0.000 0.939 438 K CA -0.441 55.797 56.287 -0.082 0.000 0.833 438 K CB 1.228 33.722 32.500 -0.011 0.000 1.318 438 K HN 0.761 nan 8.250 nan 0.000 0.433 439 W N 5.220 126.507 121.300 -0.022 0.000 2.266 439 W HA 0.347 5.007 4.660 -0.000 0.000 0.317 439 W C 0.245 176.841 176.519 0.128 0.000 1.310 439 W CA -0.117 57.257 57.345 0.048 0.000 1.207 439 W CB 0.743 30.226 29.460 0.038 0.000 1.199 439 W HN 0.245 nan 8.180 nan 0.000 0.544 440 M N 3.861 123.704 119.600 0.406 0.000 2.484 440 M HA 0.284 4.764 4.480 0.000 0.000 0.289 440 M C -1.244 175.065 176.300 0.015 0.000 1.206 440 M CA -1.082 54.198 55.300 -0.034 0.000 0.892 440 M CB 2.333 34.703 32.600 -0.383 0.000 1.712 440 M HN 0.182 nan 8.290 nan 0.000 0.462 441 F N 2.822 122.420 119.950 -0.587 0.000 2.424 441 F HA 0.422 4.949 4.527 0.000 0.000 0.356 441 F C 0.541 176.169 175.800 -0.287 0.000 1.110 441 F CA -0.329 57.139 58.000 -0.887 0.000 1.161 441 F CB 0.886 39.172 39.000 -1.189 0.000 1.115 441 F HN 0.346 nan 8.300 nan 0.000 0.507 442 V N 2.961 122.370 119.914 -0.843 0.000 3.528 442 V HA 0.679 4.799 4.120 0.000 0.000 0.294 442 V C 0.472 176.129 176.094 -0.729 0.000 1.404 442 V CA 0.283 62.252 62.300 -0.552 0.000 1.065 442 V CB -0.343 31.275 31.823 -0.341 0.000 0.904 442 V HN 1.365 nan 8.190 nan 0.000 0.435 443 G N 0.918 108.800 108.800 -1.531 0.000 2.764 443 G HA2 -0.038 3.922 3.960 0.000 0.000 0.678 443 G HA3 -0.038 3.922 3.960 0.000 0.000 0.678 443 G C -0.095 174.560 174.900 -0.409 0.000 1.341 443 G CA -0.255 44.300 45.100 -0.907 0.000 0.836 443 G HN 0.181 nan 8.290 nan 0.000 0.632 444 R N 1.031 121.510 120.500 -0.034 0.000 2.148 444 R HA -0.109 4.231 4.340 0.000 0.000 0.227 444 R C 2.231 178.560 176.300 0.048 0.000 1.103 444 R CA 1.447 57.603 56.100 0.093 0.000 0.983 444 R CB -0.106 30.311 30.300 0.195 0.000 0.874 444 R HN 0.676 nan 8.270 nan 0.000 0.451 445 N N 1.013 119.736 118.700 0.038 0.000 2.550 445 N HA -0.114 4.626 4.740 0.000 0.000 0.186 445 N C 0.815 176.360 175.510 0.059 0.000 1.110 445 N CA 0.822 53.904 53.050 0.053 0.000 0.912 445 N CB 0.081 38.604 38.487 0.060 0.000 0.968 445 N HN 0.008 nan 8.380 nan 0.000 0.448 446 K N 0.328 120.748 120.400 0.032 0.000 2.374 446 K HA 0.268 4.588 4.320 0.000 0.000 0.196 446 K C 0.240 176.857 176.600 0.028 0.000 1.023 446 K CA -0.108 56.224 56.287 0.074 0.000 1.103 446 K CB -0.024 32.515 32.500 0.066 0.000 0.848 446 K HN 0.285 nan 8.250 nan 0.000 0.528 447 A N 0.922 123.752 122.820 0.015 0.000 2.580 447 A HA 0.318 4.638 4.320 0.000 0.000 0.244 447 A C 1.373 178.973 177.584 0.028 0.000 1.045 447 A CA 1.273 53.320 52.037 0.016 0.000 0.761 447 A CB -0.590 18.434 19.000 0.041 0.000 0.962 447 A HN 0.572 nan 8.150 nan 0.000 0.512 448 G N 1.416 110.221 108.800 0.009 0.000 2.225 448 G HA2 -0.246 3.714 3.960 0.000 0.000 0.254 448 G HA3 -0.246 3.714 3.960 0.000 0.000 0.254 448 G C 0.303 175.234 174.900 0.051 0.000 0.988 448 G CA 0.484 45.599 45.100 0.025 0.000 0.625 448 G HN 0.993 nan 8.290 nan 0.000 0.527 449 Q N 0.018 119.869 119.800 0.085 0.000 2.392 449 Q HA 0.452 4.792 4.340 0.000 0.000 0.262 449 Q C -0.058 176.067 176.000 0.208 0.000 1.003 449 Q CA 0.110 56.036 55.803 0.204 0.000 0.888 449 Q CB 1.834 30.823 28.738 0.418 0.000 1.260 449 Q HN 0.208 nan 8.270 nan 0.000 0.435 450 V N 3.185 123.263 119.914 0.274 0.000 2.294 450 V HA 0.168 4.289 4.120 0.000 0.000 0.272 450 V C -0.774 175.574 176.094 0.424 0.000 1.027 450 V CA -0.664 61.781 62.300 0.242 0.000 0.823 450 V CB -0.082 31.825 31.823 0.139 0.000 1.030 450 V HN 0.623 nan 8.190 nan 0.000 0.457 451 W N 3.009 124.356 121.300 0.079 0.000 2.303 451 W HA 0.677 5.336 4.660 -0.000 0.000 0.334 451 W C 0.669 177.376 176.519 0.313 0.000 1.197 451 W CA -0.744 56.703 57.345 0.171 0.000 1.262 451 W CB 1.349 30.955 29.460 0.244 0.000 1.153 451 W HN 0.588 nan 8.180 nan 0.000 0.596 452 S N 0.197 116.195 115.700 0.496 0.000 2.595 452 S HA 0.307 4.778 4.470 0.000 0.000 0.281 452 S C -1.226 173.417 174.600 0.072 0.000 1.117 452 S CA -0.996 57.452 58.200 0.413 0.000 0.873 452 S CB 2.256 65.550 63.200 0.158 0.000 1.108 452 S HN 0.345 nan 8.310 nan 0.000 0.477 453 D N 0.845 120.981 120.400 -0.440 0.000 2.344 453 D HA 0.173 4.813 4.640 0.000 0.000 0.253 453 D C 0.829 176.872 176.300 -0.428 0.000 1.255 453 D CA -0.441 53.062 54.000 -0.829 0.000 0.894 453 D CB 0.300 40.368 40.800 -1.220 0.000 1.067 453 D HN 0.605 nan 8.370 nan 0.000 0.492 454 I N 3.042 123.395 120.570 -0.362 0.000 2.567 454 I HA -0.262 3.908 4.170 0.000 0.000 0.257 454 I C 1.929 177.928 176.117 -0.197 0.000 1.184 454 I CA 1.408 62.564 61.300 -0.239 0.000 1.451 454 I CB 0.175 38.044 38.000 -0.218 0.000 1.089 454 I HN 0.509 nan 8.210 nan 0.000 0.441 455 T N -2.596 111.812 114.554 -0.244 0.000 3.023 455 T HA 0.109 4.459 4.350 0.000 0.000 0.266 455 T C 1.624 176.222 174.700 -0.169 0.000 1.093 455 T CA 0.767 62.756 62.100 -0.185 0.000 1.129 455 T CB 0.098 68.850 68.868 -0.194 0.000 0.899 455 T HN 0.547 nan 8.240 nan 0.000 0.491 456 G N 1.541 110.214 108.800 -0.212 0.000 2.179 456 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 456 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 456 G C 0.957 175.769 174.900 -0.145 0.000 0.977 456 G CA 0.377 45.380 45.100 -0.162 0.000 0.641 456 G HN 0.508 nan 8.290 nan 0.000 0.533 457 N N 0.035 118.633 118.700 -0.170 0.000 2.223 457 N HA -0.036 4.705 4.740 0.000 0.000 0.185 457 N C 0.990 176.438 175.510 -0.102 0.000 1.016 457 N CA 0.988 53.966 53.050 -0.119 0.000 0.863 457 N CB -0.062 38.356 38.487 -0.116 0.000 0.983 457 N HN 0.399 nan 8.380 nan 0.000 0.429 458 R N 0.456 120.852 120.500 -0.172 0.000 2.387 458 R HA 0.205 4.545 4.340 0.000 0.000 0.314 458 R C 0.917 177.175 176.300 -0.071 0.000 0.958 458 R CA -0.075 55.982 56.100 -0.073 0.000 0.846 458 R CB 1.037 31.330 30.300 -0.013 0.000 1.147 458 R HN 0.180 nan 8.270 nan 0.000 0.447 459 T N -1.610 112.960 114.554 0.026 0.000 3.065 459 T HA 0.104 4.454 4.350 0.000 0.000 0.252 459 T C 1.152 175.915 174.700 0.106 0.000 1.099 459 T CA 0.302 62.423 62.100 0.036 0.000 1.063 459 T CB 0.390 69.272 68.868 0.024 0.000 0.948 459 T HN 0.497 nan 8.240 nan 0.000 0.506 460 G N 1.570 110.485 108.800 0.192 0.000 2.504 460 G HA2 0.517 4.477 3.960 0.000 0.000 0.257 460 G HA3 0.517 4.477 3.960 0.000 0.000 0.257 460 G C -0.141 174.952 174.900 0.321 0.000 1.451 460 G CA 0.121 45.339 45.100 0.197 0.000 1.059 460 G HN 0.677 nan 8.290 nan 0.000 0.550 461 T N -4.366 110.311 114.554 0.205 0.000 2.865 461 T HA 0.618 4.968 4.350 0.000 0.000 0.294 461 T C -1.304 173.339 174.700 -0.095 0.000 1.119 461 T CA -0.724 61.498 62.100 0.203 0.000 1.007 461 T CB 1.934 70.886 68.868 0.141 0.000 1.225 461 T HN 0.643 nan 8.240 nan 0.000 0.515 462 V N 1.542 121.357 119.914 -0.164 0.000 2.482 462 V HA 0.484 4.604 4.120 0.000 0.000 0.295 462 V C -0.138 175.787 176.094 -0.282 0.000 1.026 462 V CA -0.721 61.319 62.300 -0.433 0.000 0.856 462 V CB 1.829 33.123 31.823 -0.881 0.000 1.001 462 V HN 1.150 nan 8.190 nan 0.000 0.424 463 T N 6.354 120.746 114.554 -0.270 0.000 2.743 463 T HA 0.460 4.810 4.350 0.000 0.000 0.293 463 T C 0.161 174.700 174.700 -0.269 0.000 0.945 463 T CA -0.290 61.696 62.100 -0.189 0.000 1.030 463 T CB 0.488 69.295 68.868 -0.102 0.000 0.912 463 T HN 0.306 nan 8.240 nan 0.000 0.483 464 I N 4.810 125.204 120.570 -0.293 0.000 2.533 464 I HA 0.101 4.271 4.170 0.000 0.000 0.284 464 I C 1.000 177.060 176.117 -0.094 0.000 1.109 464 I CA -0.706 60.427 61.300 -0.278 0.000 1.412 464 I CB -0.561 37.233 38.000 -0.343 0.000 1.396 464 I HN 0.696 nan 8.210 nan 0.000 0.543 465 N N 5.395 124.097 118.700 0.003 0.000 2.317 465 N HA 0.176 4.916 4.740 0.000 0.000 0.245 465 N C 0.965 176.517 175.510 0.070 0.000 1.294 465 N CA 0.061 53.146 53.050 0.058 0.000 0.924 465 N CB 0.270 38.825 38.487 0.113 0.000 1.186 465 N HN 0.575 nan 8.380 nan 0.000 0.495 466 A N -0.633 122.225 122.820 0.065 0.000 2.032 466 A HA -0.194 4.126 4.320 0.000 0.000 0.221 466 A C 1.115 178.769 177.584 0.117 0.000 1.165 466 A CA 1.721 53.800 52.037 0.070 0.000 0.645 466 A CB -0.660 18.370 19.000 0.049 0.000 0.807 466 A HN 0.760 nan 8.150 nan 0.000 0.453 467 D N -1.575 118.936 120.400 0.185 0.000 2.328 467 D HA 0.284 4.924 4.640 0.000 0.000 0.221 467 D C 1.198 177.756 176.300 0.431 0.000 1.072 467 D CA 0.927 55.111 54.000 0.306 0.000 0.850 467 D CB 0.147 41.151 40.800 0.341 0.000 0.922 467 D HN 0.607 nan 8.370 nan 0.000 0.516 468 G N 0.856 109.799 108.800 0.239 0.000 2.132 468 G HA2 -0.242 3.718 3.960 0.000 0.000 0.234 468 G HA3 -0.242 3.718 3.960 0.000 0.000 0.234 468 G C -0.413 174.429 174.900 -0.095 0.000 0.989 468 G CA -0.401 44.699 45.100 0.000 0.000 0.676 468 G HN 0.153 nan 8.290 nan 0.000 0.522 469 W N -0.065 121.289 121.300 0.090 0.000 2.573 469 W HA 0.671 5.331 4.660 0.000 0.000 0.326 469 W C 0.504 177.030 176.519 0.012 0.000 1.049 469 W CA -0.026 57.406 57.345 0.145 0.000 1.220 469 W CB 2.098 31.699 29.460 0.235 0.000 1.373 469 W HN 0.531 nan 8.180 nan 0.000 0.507 470 G N 1.777 110.572 108.800 -0.008 0.000 2.524 470 G HA2 0.297 4.257 3.960 0.000 0.000 0.310 470 G HA3 0.297 4.257 3.960 0.000 0.000 0.310 470 G C -1.483 172.681 174.900 -1.225 0.000 1.279 470 G CA -0.872 43.741 45.100 -0.812 0.000 0.974 470 G HN 0.323 nan 8.290 nan 0.000 0.484 471 N N 0.913 118.672 118.700 -1.569 0.000 2.645 471 N HA 0.375 5.115 4.740 0.000 0.000 0.233 471 N C -0.944 173.798 175.510 -1.279 0.000 1.058 471 N CA -0.596 51.430 53.050 -1.706 0.000 0.942 471 N CB -0.064 37.173 38.487 -2.083 0.000 1.210 471 N HN 0.199 nan 8.380 nan 0.000 0.512 472 F N 0.780 120.319 119.950 -0.684 0.000 2.384 472 F HA 0.370 4.897 4.527 0.000 0.000 0.338 472 F C 1.386 176.965 175.800 -0.369 0.000 1.103 472 F CA -0.581 57.013 58.000 -0.676 0.000 1.157 472 F CB 1.007 39.693 39.000 -0.523 0.000 1.167 472 F HN 0.279 nan 8.300 nan 0.000 0.529 473 S N 1.553 117.244 115.700 -0.016 0.000 2.648 473 S HA 0.899 5.369 4.470 0.000 0.000 0.305 473 S C -1.015 173.778 174.600 0.322 0.000 1.094 473 S CA -0.809 57.460 58.200 0.116 0.000 0.983 473 S CB 2.023 65.256 63.200 0.055 0.000 1.101 473 S HN 0.737 nan 8.310 nan 0.000 0.514 474 V N 0.950 120.964 119.914 0.167 0.000 3.077 474 V HA 0.476 4.596 4.120 0.000 0.000 0.299 474 V C -1.689 174.449 176.094 0.074 0.000 1.276 474 V CA -0.861 61.514 62.300 0.125 0.000 0.993 474 V CB 2.239 34.113 31.823 0.085 0.000 1.076 474 V HN 1.047 nan 8.190 nan 0.000 0.434 475 N N 2.516 121.249 118.700 0.055 0.000 2.408 475 N HA 0.433 5.173 4.740 0.000 0.000 0.260 475 N C 0.290 175.834 175.510 0.056 0.000 1.242 475 N CA 0.430 53.508 53.050 0.046 0.000 0.959 475 N CB 1.312 39.819 38.487 0.034 0.000 1.201 475 N HN 1.019 nan 8.380 nan 0.000 0.511 476 G N -1.394 107.439 108.800 0.055 0.000 2.554 476 G HA2 0.334 4.294 3.960 0.000 0.000 0.238 476 G HA3 0.334 4.294 3.960 0.000 0.000 0.238 476 G C 0.797 175.762 174.900 0.109 0.000 1.259 476 G CA 0.091 45.234 45.100 0.073 0.000 0.843 476 G HN 0.751 nan 8.290 nan 0.000 0.582 477 G N -0.733 108.173 108.800 0.178 0.000 2.412 477 G HA2 0.045 4.005 3.960 0.000 0.000 0.297 477 G HA3 0.045 4.005 3.960 0.000 0.000 0.297 477 G C 0.424 175.498 174.900 0.291 0.000 0.965 477 G CA 1.244 46.552 45.100 0.346 0.000 1.134 477 G HN 1.514 nan 8.290 nan 0.000 0.511 478 S N -2.204 113.593 115.700 0.162 0.000 2.688 478 S HA 0.787 5.257 4.470 0.000 0.000 0.275 478 S C -0.973 173.620 174.600 -0.011 0.000 1.175 478 S CA 0.124 58.362 58.200 0.063 0.000 0.818 478 S CB 2.280 65.505 63.200 0.042 0.000 1.157 478 S HN 1.618 nan 8.310 nan 0.000 0.482 479 V N 1.342 121.218 119.914 -0.064 0.000 2.760 479 V HA 0.854 4.974 4.120 0.000 0.000 0.309 479 V C -1.094 174.911 176.094 -0.148 0.000 1.077 479 V CA -0.075 62.158 62.300 -0.111 0.000 0.910 479 V CB 1.932 33.669 31.823 -0.143 0.000 1.008 479 V HN 0.910 nan 8.190 nan 0.000 0.424 480 S N 6.254 121.843 115.700 -0.185 0.000 2.542 480 S HA 0.741 5.211 4.470 0.000 0.000 0.293 480 S C -0.809 173.567 174.600 -0.374 0.000 1.089 480 S CA -0.467 57.534 58.200 -0.332 0.000 0.961 480 S CB 1.607 64.601 63.200 -0.343 0.000 1.062 480 S HN 0.644 nan 8.310 nan 0.000 0.483 481 I N 2.311 122.592 120.570 -0.480 0.000 2.521 481 I HA 0.290 4.460 4.170 0.000 0.000 0.277 481 I C -1.398 174.482 176.117 -0.394 0.000 1.054 481 I CA -0.377 60.711 61.300 -0.354 0.000 1.117 481 I CB 0.858 38.712 38.000 -0.244 0.000 1.217 481 I HN 0.567 nan 8.210 nan 0.000 0.469 482 W N 6.746 127.938 121.300 -0.180 0.000 2.266 482 W HA 0.517 5.177 4.660 -0.000 0.000 0.317 482 W C 0.195 176.581 176.519 -0.221 0.000 1.310 482 W CA -0.427 56.887 57.345 -0.052 0.000 1.207 482 W CB 0.888 30.469 29.460 0.201 0.000 1.199 482 W HN 0.215 nan 8.180 nan 0.000 0.544 483 V N 0.791 120.519 119.914 -0.310 0.000 3.130 483 V HA 0.497 4.617 4.120 0.000 0.000 0.310 483 V C -0.703 174.681 176.094 -1.183 0.000 1.158 483 V CA -1.404 60.239 62.300 -1.094 0.000 1.029 483 V CB 2.134 33.119 31.823 -1.397 0.000 1.057 483 V HN 0.477 nan 8.190 nan 0.000 0.436 484 N N 1.958 119.767 118.700 -1.484 0.000 3.188 484 N HA 0.258 4.998 4.740 0.000 0.000 0.279 484 N C -0.010 175.303 175.510 -0.329 0.000 1.213 484 N CA -0.410 52.143 53.050 -0.829 0.000 1.138 484 N CB -0.229 37.948 38.487 -0.516 0.000 1.417 484 N HN 0.896 nan 8.380 nan 0.000 0.526 485 K N 0.000 120.240 120.400 -0.267 0.000 2.780 485 K HA 0.000 4.320 4.320 0.000 0.000 0.191 485 K CA 0.000 56.235 56.287 -0.086 0.000 0.838 485 K CB 0.000 32.437 32.500 -0.105 0.000 1.064 485 K HN 0.000 nan 8.250 nan 0.000 0.543