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 2xg6_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVEGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQHGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP FLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.697 177.584 0.188 0.000 1.274 1 A CA 0.000 52.160 52.037 0.205 0.000 0.836 1 A CB 0.000 19.167 19.000 0.278 0.000 0.831 2 E N 2.609 122.882 120.200 0.122 0.000 2.341 2 E HA 0.169 4.519 4.350 0.000 0.000 0.256 2 E C 0.639 177.312 176.600 0.123 0.000 1.125 2 E CA 0.408 56.877 56.400 0.115 0.000 0.939 2 E CB 0.050 29.793 29.700 0.071 0.000 0.991 2 E HN 0.682 nan 8.360 nan 0.000 0.458 3 I N 2.400 123.065 120.570 0.159 0.000 4.018 3 I HA 0.280 4.450 4.170 0.000 0.000 0.337 3 I C -0.533 175.701 176.117 0.195 0.000 1.327 3 I CA -0.447 60.945 61.300 0.152 0.000 1.100 3 I CB 0.263 38.358 38.000 0.158 0.000 1.025 3 I HN 0.298 nan 8.210 nan 0.000 0.396 4 Y N 1.753 122.075 120.300 0.038 0.000 2.399 4 Y HA 0.561 5.111 4.550 0.000 0.000 0.327 4 Y C -1.676 174.236 175.900 0.019 0.000 1.111 4 Y CA -0.995 57.117 58.100 0.020 0.000 1.047 4 Y CB 1.262 39.727 38.460 0.008 0.000 1.259 4 Y HN 0.108 nan 8.280 nan 0.000 0.434 5 N N 5.797 124.281 118.700 -0.359 0.000 2.599 5 N HA 0.327 5.067 4.740 0.000 0.000 0.283 5 N C -2.165 173.142 175.510 -0.338 0.000 1.160 5 N CA -0.437 52.487 53.050 -0.210 0.000 0.869 5 N CB 1.483 39.923 38.487 -0.077 0.000 1.448 5 N HN 0.787 nan 8.380 nan 0.000 0.535 6 K N 2.332 122.558 120.400 -0.290 0.000 2.583 6 K HA 0.180 4.500 4.320 0.000 0.000 0.260 6 K C -1.303 175.267 176.600 -0.049 0.000 0.931 6 K CA -0.361 55.782 56.287 -0.240 0.000 0.849 6 K CB 0.746 32.966 32.500 -0.467 0.000 1.347 6 K HN 0.376 nan 8.250 nan 0.000 0.425 7 D N 3.122 123.507 120.400 -0.025 0.000 2.692 7 D HA -0.227 4.413 4.640 0.000 0.000 0.233 7 D C 0.759 177.083 176.300 0.040 0.000 1.172 7 D CA 2.120 56.129 54.000 0.016 0.000 0.636 7 D CB -0.981 39.839 40.800 0.033 0.000 1.028 7 D HN 1.078 nan 8.370 nan 0.000 0.419 8 G N -0.034 108.784 108.800 0.030 0.000 2.377 8 G HA2 -0.412 3.548 3.960 0.000 0.000 0.250 8 G HA3 -0.412 3.548 3.960 0.000 0.000 0.250 8 G C 0.345 175.289 174.900 0.073 0.000 1.039 8 G CA 0.558 45.684 45.100 0.044 0.000 0.625 8 G HN 0.629 nan 8.290 nan 0.000 0.526 9 N N 1.311 120.077 118.700 0.111 0.000 2.520 9 N HA 0.510 5.250 4.740 0.000 0.000 0.273 9 N C -0.023 175.611 175.510 0.207 0.000 1.155 9 N CA 0.277 53.419 53.050 0.152 0.000 0.967 9 N CB 0.361 38.948 38.487 0.167 0.000 1.092 9 N HN 0.721 nan 8.380 nan 0.000 0.457 10 K N 1.971 122.478 120.400 0.178 0.000 2.464 10 K HA 0.603 4.923 4.320 0.000 0.000 0.253 10 K C -1.642 175.067 176.600 0.181 0.000 0.933 10 K CA -1.035 55.373 56.287 0.203 0.000 0.801 10 K CB 1.883 34.448 32.500 0.109 0.000 1.271 10 K HN 0.371 nan 8.250 nan 0.000 0.430 11 L N 1.779 123.130 121.223 0.213 0.000 2.406 11 L HA 0.417 4.757 4.340 0.000 0.000 0.272 11 L C -1.728 175.246 176.870 0.173 0.000 0.980 11 L CA -0.248 54.679 54.840 0.145 0.000 0.831 11 L CB 1.813 43.896 42.059 0.041 0.000 1.253 11 L HN 0.802 nan 8.230 nan 0.000 0.406 12 D N 4.787 125.296 120.400 0.183 0.000 2.349 12 D HA 0.311 4.951 4.640 0.000 0.000 0.232 12 D C -1.378 175.118 176.300 0.328 0.000 1.071 12 D CA -0.217 53.900 54.000 0.195 0.000 0.832 12 D CB 1.693 42.550 40.800 0.095 0.000 1.086 12 D HN 0.466 nan 8.370 nan 0.000 0.504 13 L N 6.485 127.919 121.223 0.352 0.000 2.280 13 L HA 0.485 4.825 4.340 0.000 0.000 0.287 13 L C -1.580 175.565 176.870 0.460 0.000 1.023 13 L CA -0.568 54.538 54.840 0.444 0.000 0.819 13 L CB 0.470 42.753 42.059 0.373 0.000 1.212 13 L HN 0.345 nan 8.230 nan 0.000 0.420 14 Y N 3.080 123.395 120.300 0.025 0.000 2.581 14 Y HA 1.015 5.565 4.550 0.000 0.000 0.345 14 Y C -0.221 175.238 175.900 -0.734 0.000 1.036 14 Y CA -0.951 56.859 58.100 -0.483 0.000 1.042 14 Y CB 1.445 39.726 38.460 -0.298 0.000 1.289 14 Y HN 0.779 nan 8.280 nan 0.000 0.471 15 G N 1.267 109.233 108.800 -1.389 0.000 2.342 15 G HA2 0.556 4.516 3.960 0.000 0.000 0.297 15 G HA3 0.556 4.516 3.960 0.000 0.000 0.297 15 G C -2.239 172.328 174.900 -0.555 0.000 1.313 15 G CA -0.943 43.649 45.100 -0.847 0.000 0.830 15 G HN 1.077 nan 8.290 nan 0.000 0.506 16 K N -1.722 118.565 120.400 -0.188 0.000 2.568 16 K HA 0.715 5.035 4.320 0.000 0.000 0.273 16 K C -1.733 174.842 176.600 -0.042 0.000 0.951 16 K CA -0.995 55.261 56.287 -0.052 0.000 0.854 16 K CB 2.204 34.631 32.500 -0.121 0.000 1.424 16 K HN 0.530 nan 8.250 nan 0.000 0.427 17 V N 1.345 121.281 119.914 0.036 0.000 2.357 17 V HA 0.294 4.414 4.120 0.000 0.000 0.284 17 V C -0.722 175.301 176.094 -0.117 0.000 1.018 17 V CA -0.480 61.787 62.300 -0.055 0.000 0.841 17 V CB 1.005 32.851 31.823 0.038 0.000 0.991 17 V HN 0.878 nan 8.190 nan 0.000 0.437 18 E N 3.737 123.744 120.200 -0.322 0.000 2.063 18 E HA 0.485 4.835 4.350 0.000 0.000 0.265 18 E C 0.574 177.077 176.600 -0.161 0.000 0.919 18 E CA -0.401 55.833 56.400 -0.275 0.000 0.756 18 E CB 0.968 30.336 29.700 -0.554 0.000 1.120 18 E HN 0.834 nan 8.360 nan 0.000 0.414 19 G N 4.745 113.503 108.800 -0.070 0.000 2.588 19 G HA2 0.293 4.253 3.960 0.000 0.000 0.297 19 G HA3 0.293 4.253 3.960 0.000 0.000 0.297 19 G C -0.764 174.117 174.900 -0.030 0.000 0.874 19 G CA -0.208 44.870 45.100 -0.038 0.000 1.607 19 G HN 0.380 nan 8.290 nan 0.000 0.486 20 L N 2.191 123.415 121.223 0.002 0.000 2.346 20 L HA 0.723 5.063 4.340 0.000 0.000 0.274 20 L C -0.782 176.113 176.870 0.040 0.000 1.007 20 L CA -1.322 53.535 54.840 0.028 0.000 0.818 20 L CB 2.197 44.324 42.059 0.115 0.000 1.284 20 L HN 0.575 nan 8.230 nan 0.000 0.424 21 H N 2.837 121.858 119.070 -0.081 0.000 2.934 21 H HA 0.461 5.017 4.556 0.000 0.000 0.340 21 H C -1.622 173.573 175.328 -0.222 0.000 1.008 21 H CA -0.458 55.470 56.048 -0.200 0.000 1.317 21 H CB 0.864 30.425 29.762 -0.335 0.000 1.670 21 H HN 0.482 nan 8.280 nan 0.000 0.516 22 Y N 4.220 124.191 120.300 -0.550 0.000 2.304 22 Y HA 0.262 4.812 4.550 0.000 0.000 0.328 22 Y C -0.643 174.999 175.900 -0.430 0.000 1.123 22 Y CA -0.483 57.423 58.100 -0.324 0.000 1.218 22 Y CB 0.314 38.679 38.460 -0.157 0.000 1.207 22 Y HN 0.482 nan 8.280 nan 0.000 0.495 23 F N 1.144 121.207 119.950 0.189 0.000 2.495 23 F HA 0.625 5.152 4.527 0.000 0.000 0.327 23 F C 0.187 175.993 175.800 0.010 0.000 1.103 23 F CA -0.716 57.354 58.000 0.117 0.000 0.949 23 F CB 2.123 41.171 39.000 0.080 0.000 1.142 23 F HN 0.306 nan 8.300 nan 0.000 0.457 24 S N 1.058 116.881 115.700 0.205 0.000 2.578 24 S HA 0.262 4.732 4.470 0.000 0.000 0.272 24 S C -0.279 174.362 174.600 0.068 0.000 1.145 24 S CA -0.632 57.614 58.200 0.077 0.000 0.835 24 S CB 1.227 64.455 63.200 0.048 0.000 1.104 24 S HN 0.557 nan 8.310 nan 0.000 0.458 25 D N 1.420 121.837 120.400 0.029 0.000 2.183 25 D HA 0.058 4.698 4.640 0.000 0.000 0.203 25 D C 0.566 176.880 176.300 0.024 0.000 0.969 25 D CA 0.844 54.860 54.000 0.027 0.000 0.842 25 D CB -0.082 40.726 40.800 0.015 0.000 0.957 25 D HN 0.444 nan 8.370 nan 0.000 0.484 26 N N 1.477 120.186 118.700 0.015 0.000 2.452 26 N HA -0.065 4.675 4.740 0.000 0.000 0.266 26 N C 0.287 175.812 175.510 0.025 0.000 1.209 26 N CA 0.196 53.253 53.050 0.011 0.000 0.929 26 N CB 0.859 39.345 38.487 -0.002 0.000 1.063 26 N HN -0.017 nan 8.380 nan 0.000 0.472 27 D N 1.222 121.632 120.400 0.018 0.000 2.183 27 D HA -0.142 4.498 4.640 0.000 0.000 0.203 27 D C 1.573 177.877 176.300 0.007 0.000 0.969 27 D CA 1.103 55.114 54.000 0.019 0.000 0.842 27 D CB 0.067 40.875 40.800 0.013 0.000 0.957 27 D HN 0.674 nan 8.370 nan 0.000 0.484 28 S N 0.107 115.806 115.700 -0.001 0.000 2.453 28 S HA -0.045 4.425 4.470 0.000 0.000 0.231 28 S C 1.317 175.914 174.600 -0.005 0.000 1.005 28 S CA 0.582 58.774 58.200 -0.013 0.000 0.949 28 S CB 0.099 63.286 63.200 -0.022 0.000 0.774 28 S HN -0.049 nan 8.310 nan 0.000 0.510 29 K N 1.956 122.374 120.400 0.031 0.000 2.981 29 K HA 0.357 4.677 4.320 0.000 0.000 0.213 29 K C -0.924 175.767 176.600 0.152 0.000 1.154 29 K CA -0.005 56.346 56.287 0.108 0.000 1.111 29 K CB 0.113 32.687 32.500 0.123 0.000 0.975 29 K HN 0.409 nan 8.250 nan 0.000 0.462 30 D N -0.152 120.281 120.400 0.054 0.000 2.964 30 D HA 0.519 5.160 4.640 0.000 0.000 0.234 30 D C -0.167 176.077 176.300 -0.092 0.000 1.223 30 D CA 0.053 54.070 54.000 0.028 0.000 0.889 30 D CB 2.061 42.903 40.800 0.070 0.000 1.609 30 D HN 0.335 nan 8.370 nan 0.000 0.523 31 G N 2.726 111.350 108.800 -0.293 0.000 2.325 31 G HA2 0.044 4.004 3.960 0.000 0.000 0.285 31 G HA3 0.044 4.004 3.960 0.000 0.000 0.285 31 G C -1.198 173.261 174.900 -0.736 0.000 1.303 31 G CA -0.730 44.114 45.100 -0.427 0.000 0.970 31 G HN 0.489 nan 8.290 nan 0.000 0.490 32 D N 0.401 120.559 120.400 -0.404 0.000 2.417 32 D HA 0.420 5.060 4.640 0.000 0.000 0.250 32 D C 0.661 176.819 176.300 -0.237 0.000 1.166 32 D CA 0.154 54.005 54.000 -0.248 0.000 0.881 32 D CB 0.736 41.501 40.800 -0.060 0.000 1.164 32 D HN 0.327 nan 8.370 nan 0.000 0.467 33 K N 2.765 123.030 120.400 -0.225 0.000 2.758 33 K HA 0.132 4.452 4.320 0.000 0.000 0.208 33 K C -0.197 176.392 176.600 -0.018 0.000 1.091 33 K CA -0.380 55.778 56.287 -0.215 0.000 1.059 33 K CB 0.432 32.647 32.500 -0.477 0.000 0.801 33 K HN 0.363 nan 8.250 nan 0.000 0.470 34 T N 2.373 116.930 114.554 0.004 0.000 2.902 34 T HA 0.133 4.483 4.350 0.000 0.000 0.301 34 T C -0.223 174.545 174.700 0.113 0.000 1.012 34 T CA 0.559 62.685 62.100 0.044 0.000 1.151 34 T CB -0.114 68.755 68.868 0.002 0.000 0.946 34 T HN 0.287 nan 8.240 nan 0.000 0.542 35 Y N 1.534 121.798 120.300 -0.060 0.000 2.689 35 Y HA 0.822 5.372 4.550 0.000 0.000 0.333 35 Y C -1.092 174.762 175.900 -0.078 0.000 1.190 35 Y CA -1.852 56.196 58.100 -0.087 0.000 1.063 35 Y CB 1.602 39.993 38.460 -0.115 0.000 1.294 35 Y HN 0.475 nan 8.280 nan 0.000 0.466 36 M N 2.520 122.061 119.600 -0.098 0.000 2.421 36 M HA 0.572 5.052 4.480 0.000 0.000 0.287 36 M C -2.275 173.955 176.300 -0.117 0.000 1.183 36 M CA -0.422 54.771 55.300 -0.179 0.000 0.916 36 M CB 2.728 35.277 32.600 -0.084 0.000 1.701 36 M HN 1.058 nan 8.290 nan 0.000 0.470 37 R N 2.538 122.940 120.500 -0.162 0.000 2.854 37 R HA 0.884 5.224 4.340 0.000 0.000 0.271 37 R C -1.668 174.466 176.300 -0.277 0.000 0.994 37 R CA -1.041 54.920 56.100 -0.232 0.000 0.945 37 R CB 2.754 32.922 30.300 -0.220 0.000 1.194 37 R HN 0.697 nan 8.270 nan 0.000 0.476 38 L N -0.136 120.843 121.223 -0.406 0.000 2.526 38 L HA 0.704 5.044 4.340 0.000 0.000 0.263 38 L C -1.177 175.252 176.870 -0.736 0.000 0.943 38 L CA 0.019 54.613 54.840 -0.410 0.000 0.859 38 L CB 2.341 44.332 42.059 -0.114 0.000 1.313 38 L HN 0.801 nan 8.230 nan 0.000 0.406 39 G N 2.632 110.921 108.800 -0.851 0.000 2.687 39 G HA2 0.714 4.674 3.960 0.000 0.000 0.291 39 G HA3 0.714 4.674 3.960 0.000 0.000 0.291 39 G C -1.910 172.919 174.900 -0.118 0.000 1.420 39 G CA -0.438 44.180 45.100 -0.803 0.000 0.796 39 G HN 0.803 nan 8.290 nan 0.000 0.485 40 F N -1.144 119.019 119.950 0.354 0.000 2.581 40 F HA 0.794 5.321 4.527 0.000 0.000 0.311 40 F C -0.590 175.426 175.800 0.359 0.000 1.113 40 F CA -1.354 56.908 58.000 0.437 0.000 0.935 40 F CB 1.966 41.139 39.000 0.287 0.000 1.232 40 F HN 0.251 nan 8.300 nan 0.000 0.445 41 K N 2.231 122.893 120.400 0.436 0.000 2.183 41 K HA 0.700 5.020 4.320 0.000 0.000 0.274 41 K C -0.050 176.724 176.600 0.290 0.000 1.009 41 K CA -0.704 55.718 56.287 0.225 0.000 0.888 41 K CB 1.959 34.452 32.500 -0.011 0.000 1.078 41 K HN 0.968 nan 8.250 nan 0.000 0.459 42 G N 1.432 110.409 108.800 0.294 0.000 2.537 42 G HA2 0.564 4.524 3.960 0.000 0.000 0.308 42 G HA3 0.564 4.524 3.960 0.000 0.000 0.308 42 G C -1.409 173.610 174.900 0.199 0.000 1.237 42 G CA -0.326 44.903 45.100 0.214 0.000 0.968 42 G HN 0.585 nan 8.290 nan 0.000 0.481 43 E N -1.095 119.199 120.200 0.157 0.000 2.422 43 E HA 0.486 4.836 4.350 0.000 0.000 0.289 43 E C -1.819 174.856 176.600 0.124 0.000 0.985 43 E CA -0.618 55.880 56.400 0.164 0.000 0.812 43 E CB 2.250 32.031 29.700 0.135 0.000 1.226 43 E HN 0.546 nan 8.360 nan 0.000 0.419 44 T N 2.631 117.256 114.554 0.120 0.000 2.916 44 T HA 0.262 4.612 4.350 0.000 0.000 0.298 44 T C -1.335 173.415 174.700 0.083 0.000 1.031 44 T CA -0.679 61.475 62.100 0.090 0.000 0.993 44 T CB 1.417 70.328 68.868 0.071 0.000 1.045 44 T HN 0.327 nan 8.240 nan 0.000 0.454 45 Q N 3.455 123.295 119.800 0.066 0.000 2.296 45 Q HA 0.259 4.599 4.340 0.000 0.000 0.262 45 Q C 0.996 177.027 176.000 0.052 0.000 0.981 45 Q CA 0.028 55.862 55.803 0.053 0.000 0.905 45 Q CB 1.591 30.351 28.738 0.037 0.000 1.186 45 Q HN 0.631 nan 8.270 nan 0.000 0.399 46 V N 1.278 121.226 119.914 0.055 0.000 2.690 46 V HA 0.077 4.197 4.120 0.000 0.000 0.240 46 V C 1.031 177.155 176.094 0.051 0.000 1.078 46 V CA 1.397 63.732 62.300 0.058 0.000 1.102 46 V CB 0.224 32.092 31.823 0.075 0.000 0.800 46 V HN 0.873 nan 8.190 nan 0.000 0.479 47 T N -3.917 110.664 114.554 0.044 0.000 2.681 47 T HA 0.310 4.660 4.350 0.000 0.000 0.296 47 T C 0.233 174.927 174.700 -0.009 0.000 1.157 47 T CA -0.123 61.994 62.100 0.029 0.000 1.025 47 T CB 1.609 70.510 68.868 0.055 0.000 1.441 47 T HN -0.027 nan 8.240 nan 0.000 0.504 48 D N 0.352 120.738 120.400 -0.023 0.000 2.133 48 D HA -0.136 4.504 4.640 0.000 0.000 0.192 48 D C 2.033 178.255 176.300 -0.129 0.000 1.001 48 D CA 1.802 55.768 54.000 -0.057 0.000 0.844 48 D CB 0.053 40.823 40.800 -0.050 0.000 0.944 48 D HN 0.493 nan 8.370 nan 0.000 0.447 49 Q N -0.729 118.940 119.800 -0.219 0.000 2.274 49 Q HA 0.110 4.450 4.340 0.000 0.000 0.198 49 Q C 0.872 176.614 176.000 -0.430 0.000 0.955 49 Q CA -0.138 55.342 55.803 -0.539 0.000 0.859 49 Q CB -0.266 27.811 28.738 -1.102 0.000 0.956 49 Q HN 0.243 nan 8.270 nan 0.000 0.516 50 L N 1.790 122.917 121.223 -0.159 0.000 2.331 50 L HA 0.258 4.598 4.340 0.000 0.000 0.278 50 L C -0.781 176.128 176.870 0.065 0.000 1.106 50 L CA 0.706 55.593 54.840 0.078 0.000 0.824 50 L CB 1.297 43.500 42.059 0.240 0.000 1.142 50 L HN -0.067 nan 8.230 nan 0.000 0.443 51 T N 3.971 118.588 114.554 0.105 0.000 2.921 51 T HA 0.698 5.048 4.350 0.000 0.000 0.297 51 T C -0.250 174.552 174.700 0.170 0.000 1.013 51 T CA -0.391 61.781 62.100 0.121 0.000 0.990 51 T CB 1.537 70.476 68.868 0.117 0.000 1.023 51 T HN 0.839 nan 8.240 nan 0.000 0.447 52 G N 1.910 110.790 108.800 0.134 0.000 2.420 52 G HA2 0.739 4.699 3.960 0.000 0.000 0.331 52 G HA3 0.739 4.699 3.960 0.000 0.000 0.331 52 G C -1.532 173.450 174.900 0.138 0.000 1.168 52 G CA -0.753 44.385 45.100 0.062 0.000 0.936 52 G HN 0.716 nan 8.290 nan 0.000 0.479 53 Y N -1.008 119.359 120.300 0.112 0.000 2.562 53 Y HA 0.820 5.370 4.550 0.000 0.000 0.345 53 Y C 0.096 176.075 175.900 0.132 0.000 1.045 53 Y CA -1.434 56.737 58.100 0.119 0.000 1.028 53 Y CB 1.414 39.954 38.460 0.134 0.000 1.297 53 Y HN 0.810 nan 8.280 nan 0.000 0.463 54 G N 0.685 109.676 108.800 0.318 0.000 2.569 54 G HA2 0.598 4.558 3.960 0.000 0.000 0.300 54 G HA3 0.598 4.558 3.960 0.000 0.000 0.300 54 G C -2.114 172.888 174.900 0.169 0.000 1.269 54 G CA -1.082 44.159 45.100 0.236 0.000 0.959 54 G HN 0.875 nan 8.290 nan 0.000 0.478 55 Q N -0.761 118.960 119.800 -0.131 0.000 2.403 55 Q HA 0.450 4.790 4.340 0.000 0.000 0.267 55 Q C -2.431 173.324 176.000 -0.408 0.000 0.991 55 Q CA -0.811 54.802 55.803 -0.316 0.000 0.906 55 Q CB 2.515 30.888 28.738 -0.608 0.000 1.422 55 Q HN 0.637 nan 8.270 nan 0.000 0.400 56 W N 2.717 123.606 121.300 -0.685 0.000 3.033 56 W HA 0.682 5.342 4.660 -0.000 0.000 0.336 56 W C -1.726 174.527 176.519 -0.443 0.000 1.173 56 W CA -0.420 56.515 57.345 -0.682 0.000 1.185 56 W CB 1.872 30.619 29.460 -1.189 0.000 1.425 56 W HN 0.718 nan 8.180 nan 0.000 0.536 57 E N 4.236 123.751 120.200 -1.141 0.000 2.406 57 E HA 0.211 4.561 4.350 0.000 0.000 0.297 57 E C -2.323 173.628 176.600 -1.082 0.000 0.917 57 E CA -0.609 55.153 56.400 -1.065 0.000 0.795 57 E CB 1.241 30.658 29.700 -0.471 0.000 1.285 57 E HN 0.395 nan 8.360 nan 0.000 0.400 58 Y N 2.323 121.812 120.300 -1.353 0.000 2.496 58 Y HA 0.450 5.000 4.550 0.000 0.000 0.331 58 Y C -0.785 174.689 175.900 -0.709 0.000 1.140 58 Y CA -0.451 57.111 58.100 -0.897 0.000 1.166 58 Y CB 1.987 40.011 38.460 -0.727 0.000 1.249 58 Y HN 0.590 nan 8.280 nan 0.000 0.479 59 Q N 4.520 123.647 119.800 -1.122 0.000 2.337 59 Q HA 0.640 4.980 4.340 0.000 0.000 0.270 59 Q C -2.005 173.373 176.000 -1.036 0.000 1.043 59 Q CA -0.541 54.653 55.803 -1.015 0.000 0.794 59 Q CB 1.321 29.264 28.738 -1.325 0.000 1.281 59 Q HN 0.724 nan 8.270 nan 0.000 0.446 60 I N 3.642 123.917 120.570 -0.492 0.000 2.439 60 I HA 0.248 4.418 4.170 0.000 0.000 0.285 60 I C -0.409 175.629 176.117 -0.131 0.000 1.021 60 I CA -1.077 60.064 61.300 -0.266 0.000 1.091 60 I CB 1.845 39.814 38.000 -0.051 0.000 1.242 60 I HN 0.508 nan 8.210 nan 0.000 0.439 61 Q N 4.020 123.768 119.800 -0.087 0.000 2.337 61 Q HA 0.192 4.532 4.340 0.000 0.000 0.270 61 Q C 0.830 176.840 176.000 0.016 0.000 1.002 61 Q CA 0.118 55.925 55.803 0.007 0.000 0.888 61 Q CB 1.387 30.149 28.738 0.040 0.000 1.222 61 Q HN 0.929 nan 8.270 nan 0.000 0.400 62 G N 1.791 110.608 108.800 0.028 0.000 3.899 62 G HA2 -0.018 3.942 3.960 0.000 0.000 0.293 62 G HA3 -0.018 3.942 3.960 0.000 0.000 0.293 62 G C 0.408 175.311 174.900 0.006 0.000 1.054 62 G CA -0.342 44.765 45.100 0.010 0.000 0.846 62 G HN 0.584 nan 8.290 nan 0.000 0.525 63 N N -0.382 118.320 118.700 0.003 0.000 2.205 63 N HA 0.110 4.850 4.740 0.000 0.000 0.201 63 N C 0.071 175.574 175.510 -0.012 0.000 1.128 63 N CA -0.219 52.823 53.050 -0.014 0.000 0.867 63 N CB 0.625 39.087 38.487 -0.041 0.000 0.996 63 N HN 0.325 nan 8.380 nan 0.000 0.503 64 E N 0.796 120.995 120.200 -0.001 0.000 2.244 64 E HA 0.466 4.816 4.350 0.000 0.000 0.266 64 E C -2.328 174.275 176.600 0.006 0.000 0.914 64 E CA -1.920 54.481 56.400 0.002 0.000 0.794 64 E CB 2.014 31.719 29.700 0.009 0.000 1.210 64 E HN 0.159 nan 8.360 nan 0.000 0.414 65 P HA 0.151 nan 4.420 nan 0.000 0.284 65 P C -0.089 177.217 177.300 0.009 0.000 1.292 65 P CA -0.289 62.815 63.100 0.006 0.000 0.800 65 P CB 0.819 32.522 31.700 0.005 0.000 1.188 66 E N -0.399 119.806 120.200 0.008 0.000 2.267 66 E HA -0.119 4.231 4.350 0.000 0.000 0.197 66 E C 1.710 178.317 176.600 0.012 0.000 0.998 66 E CA 1.434 57.840 56.400 0.010 0.000 0.830 66 E CB 0.019 29.723 29.700 0.008 0.000 0.751 66 E HN 0.481 nan 8.360 nan 0.000 0.491 67 S N 1.144 116.851 115.700 0.011 0.000 2.315 67 S HA -0.132 4.338 4.470 0.000 0.000 0.196 67 S C 0.902 175.512 174.600 0.017 0.000 1.045 67 S CA 0.338 58.546 58.200 0.013 0.000 1.055 67 S CB -0.462 62.743 63.200 0.010 0.000 0.963 67 S HN 0.132 nan 8.310 nan 0.000 0.439 68 D N 1.841 122.251 120.400 0.016 0.000 2.389 68 D HA 0.234 4.874 4.640 0.000 0.000 0.247 68 D C -0.701 175.615 176.300 0.026 0.000 1.128 68 D CA 0.001 54.014 54.000 0.021 0.000 0.884 68 D CB 0.109 40.919 40.800 0.016 0.000 1.194 68 D HN 0.392 nan 8.370 nan 0.000 0.441 69 N N 2.622 121.345 118.700 0.038 0.000 2.685 69 N HA 0.060 4.800 4.740 0.000 0.000 0.252 69 N C -1.287 174.263 175.510 0.067 0.000 1.261 69 N CA -0.412 52.665 53.050 0.045 0.000 0.768 69 N CB 0.823 39.336 38.487 0.042 0.000 1.304 69 N HN 0.459 nan 8.380 nan 0.000 0.536 70 S N 1.221 116.967 115.700 0.077 0.000 2.562 70 S HA 0.555 5.025 4.470 0.000 0.000 0.281 70 S C 0.244 174.942 174.600 0.162 0.000 1.333 70 S CA -0.285 57.991 58.200 0.127 0.000 1.052 70 S CB 1.016 64.290 63.200 0.123 0.000 0.884 70 S HN 0.556 nan 8.310 nan 0.000 0.506 71 S N 1.176 117.000 115.700 0.206 0.000 2.565 71 S HA 0.743 5.213 4.470 0.000 0.000 0.274 71 S C -1.347 173.205 174.600 -0.080 0.000 1.144 71 S CA -1.187 56.964 58.200 -0.082 0.000 0.849 71 S CB 0.088 63.238 63.200 -0.084 0.000 1.103 71 S HN 1.564 nan 8.310 nan 0.000 0.455 72 W N -0.544 120.233 121.300 -0.871 0.000 3.146 72 W HA 0.708 5.368 4.660 0.000 0.000 0.319 72 W C -1.306 174.708 176.519 -0.842 0.000 1.258 72 W CA -0.921 56.019 57.345 -0.675 0.000 1.189 72 W CB 0.303 29.559 29.460 -0.341 0.000 1.412 72 W HN 0.591 nan 8.180 nan 0.000 0.567 73 T N 2.540 117.108 114.554 0.023 0.000 2.901 73 T HA 0.222 4.572 4.350 0.000 0.000 0.301 73 T C 0.817 175.499 174.700 -0.029 0.000 1.012 73 T CA -0.139 62.028 62.100 0.111 0.000 1.135 73 T CB 1.306 70.365 68.868 0.318 0.000 0.936 73 T HN 0.536 nan 8.240 nan 0.000 0.539 74 R N 1.272 121.631 120.500 -0.235 0.000 2.102 74 R HA 0.298 4.638 4.340 0.000 0.000 0.208 74 R C 0.434 176.551 176.300 -0.305 0.000 1.131 74 R CA 0.264 56.145 56.100 -0.365 0.000 1.054 74 R CB 0.434 30.470 30.300 -0.439 0.000 0.954 74 R HN 0.585 nan 8.270 nan 0.000 0.465 75 V N -2.434 117.380 119.914 -0.166 0.000 2.841 75 V HA 0.889 5.009 4.120 0.000 0.000 0.310 75 V C -1.522 174.582 176.094 0.016 0.000 1.090 75 V CA -1.065 61.246 62.300 0.017 0.000 0.930 75 V CB 1.896 33.813 31.823 0.156 0.000 1.014 75 V HN 0.116 nan 8.190 nan 0.000 0.425 76 A N 5.316 128.213 122.820 0.128 0.000 2.547 76 A HA 0.917 5.237 4.320 0.000 0.000 0.279 76 A C -1.088 176.586 177.584 0.151 0.000 1.088 76 A CA -0.376 51.724 52.037 0.106 0.000 0.796 76 A CB 0.746 19.872 19.000 0.211 0.000 1.308 76 A HN 2.129 nan 8.150 nan 0.000 0.415 77 F N -0.033 119.979 119.950 0.104 0.000 2.654 77 F HA 0.913 5.440 4.527 0.000 0.000 0.308 77 F C -0.310 175.558 175.800 0.115 0.000 1.108 77 F CA -0.937 57.109 58.000 0.076 0.000 0.957 77 F CB 1.127 40.171 39.000 0.074 0.000 1.309 77 F HN 0.798 nan 8.300 nan 0.000 0.446 78 A N 0.997 123.997 122.820 0.299 0.000 2.380 78 A HA 1.051 5.371 4.320 0.000 0.000 0.315 78 A C -0.311 177.267 177.584 -0.010 0.000 1.101 78 A CA -0.476 51.642 52.037 0.136 0.000 0.771 78 A CB 1.354 20.395 19.000 0.068 0.000 1.287 78 A HN 2.140 nan 8.150 nan 0.000 0.436 79 G N -0.533 108.033 108.800 -0.389 0.000 2.368 79 G HA2 0.521 4.481 3.960 0.000 0.000 0.293 79 G HA3 0.521 4.481 3.960 0.000 0.000 0.293 79 G C -1.518 172.848 174.900 -0.890 0.000 1.467 79 G CA -0.752 43.988 45.100 -0.601 0.000 0.804 79 G HN 0.754 nan 8.290 nan 0.000 0.535 80 L N -0.236 120.802 121.223 -0.308 0.000 2.332 80 L HA 0.842 5.182 4.340 0.000 0.000 0.269 80 L C 0.026 177.019 176.870 0.206 0.000 1.016 80 L CA -1.054 53.761 54.840 -0.043 0.000 0.809 80 L CB 2.275 44.397 42.059 0.105 0.000 1.280 80 L HN 0.595 nan 8.230 nan 0.000 0.447 81 K N 1.223 121.786 120.400 0.273 0.000 2.588 81 K HA 0.390 4.710 4.320 0.000 0.000 0.250 81 K C -2.071 174.685 176.600 0.260 0.000 0.972 81 K CA -0.449 56.015 56.287 0.295 0.000 0.821 81 K CB 1.794 34.485 32.500 0.319 0.000 1.249 81 K HN 0.390 nan 8.250 nan 0.000 0.442 82 F N 3.144 123.161 119.950 0.112 0.000 2.458 82 F HA 0.320 4.847 4.527 0.000 0.000 0.336 82 F C 0.143 175.990 175.800 0.078 0.000 1.114 82 F CA -0.470 57.586 58.000 0.093 0.000 0.987 82 F CB 1.774 40.833 39.000 0.099 0.000 1.130 82 F HN 0.584 nan 8.300 nan 0.000 0.458 83 Q N 4.245 123.803 119.800 -0.403 0.000 2.283 83 Q HA 0.042 4.382 4.340 0.000 0.000 0.301 83 Q C 0.140 176.169 176.000 0.048 0.000 1.063 83 Q CA 1.219 56.903 55.803 -0.199 0.000 0.952 83 Q CB 0.135 28.680 28.738 -0.321 0.000 1.166 83 Q HN 0.752 nan 8.270 nan 0.000 0.381 84 D N 1.565 122.022 120.400 0.095 0.000 3.070 84 D HA -0.203 4.437 4.640 0.000 0.000 0.220 84 D C 0.093 176.598 176.300 0.341 0.000 1.176 84 D CA 1.087 55.197 54.000 0.182 0.000 0.924 84 D CB -1.260 39.639 40.800 0.165 0.000 1.124 84 D HN 0.329 nan 8.370 nan 0.000 0.411 85 V N -1.682 118.458 119.914 0.377 0.000 2.950 85 V HA 0.620 4.740 4.120 0.000 0.000 0.231 85 V C 1.452 177.768 176.094 0.369 0.000 1.205 85 V CA 1.337 63.918 62.300 0.468 0.000 1.239 85 V CB 1.045 33.130 31.823 0.436 0.000 1.050 85 V HN 0.510 nan 8.190 nan 0.000 0.498 86 G N 0.039 108.960 108.800 0.201 0.000 2.368 86 G HA2 0.427 4.387 3.960 0.000 0.000 0.269 86 G HA3 0.427 4.387 3.960 0.000 0.000 0.269 86 G C -1.084 173.804 174.900 -0.020 0.000 1.291 86 G CA 0.257 45.302 45.100 -0.092 0.000 0.903 86 G HN 0.976 nan 8.290 nan 0.000 0.483 87 S N -1.437 114.168 115.700 -0.159 0.000 2.537 87 S HA 0.784 5.254 4.470 0.000 0.000 0.270 87 S C -1.657 173.052 174.600 0.181 0.000 1.142 87 S CA -0.607 57.646 58.200 0.088 0.000 0.870 87 S CB 2.312 65.565 63.200 0.088 0.000 1.112 87 S HN 2.066 nan 8.310 nan 0.000 0.466 88 F N 2.431 122.468 119.950 0.144 0.000 2.585 88 F HA 0.615 5.142 4.527 0.000 0.000 0.319 88 F C -2.028 173.873 175.800 0.168 0.000 1.165 88 F CA -0.870 57.227 58.000 0.161 0.000 0.949 88 F CB 1.668 40.780 39.000 0.186 0.000 1.218 88 F HN 0.777 nan 8.300 nan 0.000 0.453 89 D N 5.047 125.177 120.400 -0.449 0.000 2.686 89 D HA 0.188 4.828 4.640 0.000 0.000 0.249 89 D C -1.813 174.300 176.300 -0.310 0.000 1.260 89 D CA -0.274 53.510 54.000 -0.360 0.000 0.910 89 D CB 1.738 42.551 40.800 0.022 0.000 1.323 89 D HN 0.499 nan 8.370 nan 0.000 0.561 90 Y N 1.698 121.767 120.300 -0.385 0.000 2.330 90 Y HA 0.560 5.110 4.550 0.000 0.000 0.336 90 Y C 0.363 176.311 175.900 0.080 0.000 1.036 90 Y CA 0.681 58.712 58.100 -0.115 0.000 1.125 90 Y CB 1.327 39.736 38.460 -0.085 0.000 1.194 90 Y HN 0.837 nan 8.280 nan 0.000 0.469 91 G N 4.673 113.107 108.800 -0.610 0.000 2.362 91 G HA2 0.043 4.003 3.960 0.000 0.000 0.288 91 G HA3 0.043 4.003 3.960 0.000 0.000 0.288 91 G C -1.674 173.140 174.900 -0.144 0.000 1.305 91 G CA -1.341 43.537 45.100 -0.370 0.000 0.910 91 G HN 0.776 nan 8.290 nan 0.000 0.518 92 R N 0.718 121.205 120.500 -0.022 0.000 2.421 92 R HA 0.421 4.761 4.340 0.000 0.000 0.305 92 R C -0.082 176.368 176.300 0.250 0.000 1.039 92 R CA 0.299 56.429 56.100 0.051 0.000 1.003 92 R CB 0.009 30.326 30.300 0.028 0.000 0.959 92 R HN 0.607 nan 8.270 nan 0.000 0.427 93 N N 2.491 121.385 118.700 0.324 0.000 3.418 93 N HA 0.218 4.958 4.740 0.000 0.000 0.316 93 N C -1.774 173.837 175.510 0.168 0.000 1.601 93 N CA -0.706 52.505 53.050 0.268 0.000 0.805 93 N CB 0.593 39.110 38.487 0.049 0.000 1.873 93 N HN 0.343 nan 8.380 nan 0.000 0.615 94 Y N 0.414 120.720 120.300 0.010 0.000 2.304 94 Y HA 0.448 4.998 4.550 0.000 0.000 0.328 94 Y C 1.475 176.990 175.900 -0.642 0.000 1.123 94 Y CA -0.186 57.789 58.100 -0.207 0.000 1.218 94 Y CB 0.927 39.280 38.460 -0.178 0.000 1.207 94 Y HN 0.494 nan 8.280 nan 0.000 0.495 95 G N 1.268 109.709 108.800 -0.598 0.000 2.614 95 G HA2 0.108 4.068 3.960 0.000 0.000 0.239 95 G HA3 0.108 4.068 3.960 0.000 0.000 0.239 95 G C 0.889 175.545 174.900 -0.406 0.000 1.240 95 G CA -0.435 44.129 45.100 -0.893 0.000 0.842 95 G HN 0.684 nan 8.290 nan 0.000 0.584 96 V N 2.058 121.766 119.914 -0.344 0.000 2.626 96 V HA -0.135 3.985 4.120 0.000 0.000 0.252 96 V C 2.862 178.872 176.094 -0.140 0.000 1.067 96 V CA 1.666 63.855 62.300 -0.186 0.000 1.081 96 V CB -0.295 31.462 31.823 -0.109 0.000 0.686 96 V HN 0.498 nan 8.190 nan 0.000 0.468 97 V N -0.378 119.458 119.914 -0.129 0.000 2.324 97 V HA -0.310 3.811 4.120 0.000 0.000 0.250 97 V C 2.223 178.216 176.094 -0.168 0.000 1.060 97 V CA 2.723 64.943 62.300 -0.133 0.000 1.042 97 V CB -0.861 30.901 31.823 -0.103 0.000 0.650 97 V HN 0.753 nan 8.190 nan 0.000 0.450 98 Y N 1.566 121.671 120.300 -0.325 0.000 2.228 98 Y HA -0.311 4.239 4.550 0.000 0.000 0.285 98 Y C 2.158 177.828 175.900 -0.382 0.000 1.178 98 Y CA 1.762 59.624 58.100 -0.397 0.000 1.202 98 Y CB -0.757 37.477 38.460 -0.377 0.000 0.974 98 Y HN 0.456 nan 8.280 nan 0.000 0.527 99 D N -0.913 119.310 120.400 -0.294 0.000 2.191 99 D HA -0.238 4.402 4.640 0.000 0.000 0.190 99 D C 2.246 178.157 176.300 -0.649 0.000 1.007 99 D CA 2.211 55.999 54.000 -0.354 0.000 0.865 99 D CB -0.458 40.212 40.800 -0.217 0.000 0.929 99 D HN 0.296 nan 8.370 nan 0.000 0.447 100 V N 0.018 119.519 119.914 -0.689 0.000 2.403 100 V HA -0.119 4.001 4.120 0.000 0.000 0.239 100 V C 2.567 178.142 176.094 -0.864 0.000 1.041 100 V CA 1.741 63.412 62.300 -1.047 0.000 1.051 100 V CB -0.941 30.500 31.823 -0.636 0.000 0.704 100 V HN 0.337 nan 8.190 nan 0.000 0.472 101 T N -0.080 114.184 114.554 -0.483 0.000 2.897 101 T HA -0.191 4.159 4.350 0.000 0.000 0.271 101 T C 1.860 176.414 174.700 -0.242 0.000 1.084 101 T CA 1.640 63.592 62.100 -0.247 0.000 1.123 101 T CB -0.663 68.126 68.868 -0.132 0.000 0.865 101 T HN 0.586 nan 8.240 nan 0.000 0.496 102 S N -0.124 115.188 115.700 -0.647 0.000 2.474 102 S HA -0.080 4.390 4.470 0.000 0.000 0.235 102 S C 1.515 176.032 174.600 -0.139 0.000 0.997 102 S CA 0.243 57.982 58.200 -0.768 0.000 0.949 102 S CB -0.912 61.341 63.200 -1.579 0.000 0.766 102 S HN 0.659 nan 8.310 nan 0.000 0.517 103 W N 3.126 124.311 121.300 -0.191 0.000 2.468 103 W HA 0.086 4.746 4.660 0.000 0.000 0.262 103 W C 2.317 178.879 176.519 0.072 0.000 1.241 103 W CA 1.095 58.431 57.345 -0.016 0.000 1.232 103 W CB -1.544 27.913 29.460 -0.005 0.000 1.124 103 W HN 0.611 nan 8.180 nan 0.000 0.597 104 T N -4.095 110.584 114.554 0.208 0.000 3.069 104 T HA 0.019 4.369 4.350 0.000 0.000 0.252 104 T C 0.635 175.392 174.700 0.095 0.000 1.053 104 T CA 0.080 62.257 62.100 0.128 0.000 0.964 104 T CB 0.066 68.949 68.868 0.025 0.000 1.005 104 T HN -0.201 nan 8.240 nan 0.000 0.532 105 D N 2.540 123.001 120.400 0.101 0.000 3.057 105 D HA 0.158 4.798 4.640 0.000 0.000 0.246 105 D C 1.148 177.458 176.300 0.016 0.000 1.238 105 D CA -0.180 53.882 54.000 0.103 0.000 0.949 105 D CB 0.390 41.321 40.800 0.219 0.000 1.086 105 D HN 0.414 nan 8.370 nan 0.000 0.487 106 V N -1.135 118.759 119.914 -0.034 0.000 3.380 106 V HA 0.359 4.479 4.120 0.000 0.000 0.307 106 V C 0.577 176.542 176.094 -0.214 0.000 1.434 106 V CA -0.399 61.819 62.300 -0.137 0.000 1.075 106 V CB -0.491 31.223 31.823 -0.182 0.000 0.954 106 V HN 0.008 nan 8.190 nan 0.000 0.444 107 L N 1.335 122.421 121.223 -0.228 0.000 2.421 107 L HA 0.470 4.810 4.340 0.000 0.000 0.263 107 L C -0.796 175.830 176.870 -0.405 0.000 1.122 107 L CA -1.620 52.949 54.840 -0.453 0.000 0.804 107 L CB 1.010 42.865 42.059 -0.339 0.000 1.150 107 L HN 0.000 nan 8.230 nan 0.000 0.457 108 P HA -0.079 nan 4.420 nan 0.000 0.229 108 P C 0.437 177.417 177.300 -0.532 0.000 1.160 108 P CA 1.089 63.782 63.100 -0.678 0.000 0.777 108 P CB 0.709 31.694 31.700 -1.192 0.000 0.814 109 E N -1.954 118.025 120.200 -0.369 0.000 3.297 109 E HA 0.163 4.513 4.350 0.000 0.000 0.232 109 E C 0.423 176.841 176.600 -0.303 0.000 1.143 109 E CA 0.122 56.331 56.400 -0.319 0.000 1.741 109 E CB -0.374 29.074 29.700 -0.421 0.000 1.925 109 E HN -0.107 nan 8.360 nan 0.000 0.924 110 F N 1.001 120.983 119.950 0.054 0.000 2.213 110 F HA 0.636 5.163 4.527 0.000 0.000 0.297 110 F C 1.488 177.342 175.800 0.091 0.000 1.094 110 F CA 0.401 58.447 58.000 0.077 0.000 1.121 110 F CB -0.247 38.794 39.000 0.068 0.000 1.622 110 F HN 0.234 nan 8.300 nan 0.000 0.521 111 G N -1.043 108.010 108.800 0.421 0.000 2.814 111 G HA2 0.363 4.323 3.960 0.000 0.000 0.677 111 G HA3 0.363 4.323 3.960 0.000 0.000 0.677 111 G C 0.387 175.348 174.900 0.102 0.000 1.429 111 G CA -0.195 45.034 45.100 0.215 0.000 0.868 111 G HN 1.885 nan 8.290 nan 0.000 0.553 112 G N -0.406 108.395 108.800 0.001 0.000 2.395 112 G HA2 0.128 4.088 3.960 0.000 0.000 0.300 112 G HA3 0.128 4.088 3.960 0.000 0.000 0.300 112 G C 0.435 175.113 174.900 -0.369 0.000 0.998 112 G CA 1.345 46.393 45.100 -0.086 0.000 1.046 112 G HN 2.361 nan 8.290 nan 0.000 0.513 113 D N -1.445 118.735 120.400 -0.367 0.000 2.740 113 D HA 0.136 4.777 4.640 0.000 0.000 0.301 113 D C 1.436 177.552 176.300 -0.307 0.000 1.408 113 D CA 0.454 54.283 54.000 -0.285 0.000 0.808 113 D CB -0.476 40.314 40.800 -0.017 0.000 1.128 113 D HN 0.408 nan 8.370 nan 0.000 0.465 114 T N -2.351 111.886 114.554 -0.528 0.000 3.129 114 T HA 0.175 4.525 4.350 0.000 0.000 0.251 114 T C 0.121 174.744 174.700 -0.127 0.000 1.117 114 T CA -0.048 61.893 62.100 -0.265 0.000 1.034 114 T CB -0.738 68.031 68.868 -0.165 0.000 0.968 114 T HN 0.285 nan 8.240 nan 0.000 0.526 115 Y N -0.958 119.382 120.300 0.066 0.000 2.553 115 Y HA 0.834 5.384 4.550 0.000 0.000 0.347 115 Y C -0.906 175.022 175.900 0.047 0.000 1.019 115 Y CA -1.919 56.226 58.100 0.076 0.000 1.032 115 Y CB 1.000 39.513 38.460 0.089 0.000 1.284 115 Y HN -0.151 nan 8.280 nan 0.000 0.466 116 D N -0.154 120.374 120.400 0.212 0.000 2.506 116 D HA 0.417 5.058 4.640 0.000 0.000 0.254 116 D C -0.857 175.511 176.300 0.114 0.000 1.089 116 D CA -0.874 53.186 54.000 0.101 0.000 1.050 116 D CB 1.749 42.552 40.800 0.004 0.000 1.221 116 D HN 0.508 nan 8.370 nan 0.000 0.589 117 S N 0.339 116.069 115.700 0.049 0.000 2.565 117 S HA 0.139 4.609 4.470 0.000 0.000 0.274 117 S C -0.211 174.383 174.600 -0.009 0.000 1.309 117 S CA -0.336 57.893 58.200 0.048 0.000 1.043 117 S CB 0.295 63.496 63.200 0.002 0.000 0.939 117 S HN 0.384 nan 8.310 nan 0.000 0.504 118 D N 1.422 121.827 120.400 0.007 0.000 2.772 118 D HA -0.163 4.477 4.640 0.000 0.000 0.233 118 D C -0.427 175.820 176.300 -0.087 0.000 1.143 118 D CA 0.457 54.427 54.000 -0.050 0.000 0.700 118 D CB -1.058 39.684 40.800 -0.096 0.000 1.076 118 D HN 0.455 nan 8.370 nan 0.000 0.430 119 N N -0.043 118.648 118.700 -0.014 0.000 3.170 119 N HA 0.282 5.022 4.740 0.000 0.000 0.305 119 N C 0.131 175.685 175.510 0.074 0.000 1.499 119 N CA -0.187 52.844 53.050 -0.031 0.000 1.110 119 N CB -0.137 38.433 38.487 0.137 0.000 1.390 119 N HN 0.128 nan 8.380 nan 0.000 0.508 120 F N -1.026 118.998 119.950 0.124 0.000 2.183 120 F HA -0.391 4.136 4.527 0.000 0.000 0.318 120 F C 1.210 177.111 175.800 0.168 0.000 0.276 120 F CA 0.672 58.730 58.000 0.096 0.000 0.912 120 F CB -0.860 38.181 39.000 0.069 0.000 4.135 120 F HN 0.137 nan 8.300 nan 0.000 0.137 121 M N 0.602 120.441 119.600 0.398 0.000 2.631 121 M HA 0.113 4.593 4.480 0.000 0.000 0.241 121 M C 1.100 177.487 176.300 0.146 0.000 1.255 121 M CA 0.409 55.905 55.300 0.328 0.000 0.983 121 M CB 0.037 32.761 32.600 0.208 0.000 1.580 121 M HN 0.413 nan 8.290 nan 0.000 0.464 122 Q N 0.000 119.898 119.800 0.163 0.000 2.302 122 Q HA 0.061 4.401 4.340 0.000 0.000 0.202 122 Q C 1.318 177.243 176.000 -0.124 0.000 0.936 122 Q CA 0.870 56.696 55.803 0.039 0.000 0.886 122 Q CB 0.806 29.635 28.738 0.151 0.000 0.986 122 Q HN 0.598 nan 8.270 nan 0.000 0.487 123 Q N -1.618 118.149 119.800 -0.055 0.000 2.555 123 Q HA 0.126 4.466 4.340 0.000 0.000 0.409 123 Q C -0.701 175.247 176.000 -0.087 0.000 0.669 123 Q CA -0.509 55.157 55.803 -0.229 0.000 0.911 123 Q CB 0.661 29.250 28.738 -0.248 0.000 1.845 123 Q HN 0.246 nan 8.270 nan 0.000 0.292 124 H N -0.942 118.073 119.070 -0.091 0.000 2.913 124 H HA 0.429 4.985 4.556 0.000 0.000 0.365 124 H C -0.033 175.347 175.328 0.086 0.000 1.155 124 H CA 1.253 57.224 56.048 -0.127 0.000 1.417 124 H CB 0.723 30.367 29.762 -0.196 0.000 1.386 124 H HN 0.601 nan 8.280 nan 0.000 0.614 125 G N 1.006 109.963 108.800 0.262 0.000 2.442 125 G HA2 0.125 4.085 3.960 0.000 0.000 0.296 125 G HA3 0.125 4.085 3.960 0.000 0.000 0.296 125 G C -1.540 173.123 174.900 -0.396 0.000 1.564 125 G CA -1.159 43.883 45.100 -0.098 0.000 0.828 125 G HN 0.628 nan 8.290 nan 0.000 0.571 126 N N -0.207 118.242 118.700 -0.418 0.000 2.529 126 N HA 0.484 5.224 4.740 0.000 0.000 0.278 126 N C 0.960 176.169 175.510 -0.502 0.000 1.146 126 N CA 0.843 53.682 53.050 -0.351 0.000 0.980 126 N CB 1.375 39.741 38.487 -0.201 0.000 1.124 126 N HN 1.666 nan 8.380 nan 0.000 0.458 127 G N 0.893 109.446 108.800 -0.411 0.000 2.272 127 G HA2 -0.269 3.691 3.960 0.000 0.000 0.280 127 G HA3 -0.269 3.691 3.960 0.000 0.000 0.280 127 G C -0.716 174.072 174.900 -0.186 0.000 1.067 127 G CA -0.364 44.532 45.100 -0.340 0.000 0.902 127 G HN 0.388 nan 8.290 nan 0.000 0.500 128 F N 0.765 120.660 119.950 -0.093 0.000 2.424 128 F HA 0.600 5.127 4.527 0.000 0.000 0.356 128 F C 0.840 176.751 175.800 0.186 0.000 1.110 128 F CA -0.623 57.404 58.000 0.046 0.000 1.161 128 F CB 1.458 40.452 39.000 -0.010 0.000 1.115 128 F HN 0.412 nan 8.300 nan 0.000 0.507 129 A N 2.744 125.942 122.820 0.631 0.000 2.276 129 A HA 0.631 4.951 4.320 0.000 0.000 0.300 129 A C -0.104 177.797 177.584 0.528 0.000 1.235 129 A CA -0.420 52.018 52.037 0.669 0.000 0.867 129 A CB -0.079 19.396 19.000 0.793 0.000 1.137 129 A HN 0.732 nan 8.150 nan 0.000 0.527 130 T N 0.462 115.265 114.554 0.415 0.000 2.906 130 T HA 0.477 4.827 4.350 0.000 0.000 0.302 130 T C -0.827 174.104 174.700 0.384 0.000 1.002 130 T CA -0.379 61.894 62.100 0.288 0.000 0.988 130 T CB 0.439 69.339 68.868 0.053 0.000 0.972 130 T HN 0.532 nan 8.240 nan 0.000 0.447 131 Y N 3.442 123.904 120.300 0.270 0.000 2.304 131 Y HA 0.672 5.222 4.550 0.000 0.000 0.328 131 Y C 0.111 176.049 175.900 0.064 0.000 1.123 131 Y CA -0.753 57.467 58.100 0.200 0.000 1.218 131 Y CB 0.918 39.473 38.460 0.159 0.000 1.207 131 Y HN 0.712 nan 8.280 nan 0.000 0.495 132 R N 3.591 123.612 120.500 -0.800 0.000 2.771 132 R HA 0.372 4.712 4.340 0.000 0.000 0.274 132 R C -1.749 173.888 176.300 -1.105 0.000 0.987 132 R CA -1.271 54.396 56.100 -0.722 0.000 0.908 132 R CB 1.712 31.790 30.300 -0.370 0.000 1.213 132 R HN 0.644 nan 8.270 nan 0.000 0.468 133 N N 0.696 118.804 118.700 -0.986 0.000 2.558 133 N HA 0.118 4.858 4.740 0.000 0.000 0.285 133 N C -1.612 173.513 175.510 -0.641 0.000 1.112 133 N CA -0.403 52.074 53.050 -0.955 0.000 0.857 133 N CB 1.608 39.231 38.487 -1.440 0.000 1.376 133 N HN 0.616 nan 8.380 nan 0.000 0.526 134 T N 0.312 114.644 114.554 -0.370 0.000 2.889 134 T HA 0.330 4.680 4.350 0.000 0.000 0.291 134 T C -0.154 174.477 174.700 -0.114 0.000 0.995 134 T CA -0.348 61.635 62.100 -0.194 0.000 1.092 134 T CB 0.695 69.482 68.868 -0.135 0.000 0.954 134 T HN 0.457 nan 8.240 nan 0.000 0.506 135 D N 0.199 120.591 120.400 -0.014 0.000 2.837 135 D HA -0.227 4.413 4.640 0.000 0.000 0.230 135 D C 0.066 176.472 176.300 0.176 0.000 1.152 135 D CA 1.045 55.091 54.000 0.077 0.000 0.736 135 D CB -2.060 38.770 40.800 0.050 0.000 1.084 135 D HN 0.857 nan 8.370 nan 0.000 0.429 136 F N -0.212 119.712 119.950 -0.044 0.000 2.489 136 F HA -0.334 4.193 4.527 0.000 0.000 0.203 136 F C 0.180 176.010 175.800 0.050 0.000 1.030 136 F CA 0.782 58.759 58.000 -0.037 0.000 0.877 136 F CB -1.454 37.650 39.000 0.172 0.000 0.855 136 F HN 0.123 nan 8.300 nan 0.000 0.832 137 F N 0.730 120.656 119.950 -0.040 0.000 3.093 137 F HA -0.187 4.340 4.527 0.000 0.000 0.287 137 F C 1.492 177.331 175.800 0.065 0.000 0.882 137 F CA 1.363 59.348 58.000 -0.024 0.000 1.063 137 F CB -1.638 37.296 39.000 -0.111 0.000 1.097 137 F HN 1.110 nan 8.300 nan 0.000 0.604 138 G N -0.968 107.940 108.800 0.179 0.000 2.168 138 G HA2 -0.327 3.633 3.960 0.000 0.000 0.257 138 G HA3 -0.327 3.633 3.960 0.000 0.000 0.257 138 G C 0.804 175.811 174.900 0.178 0.000 0.997 138 G CA 0.568 45.757 45.100 0.149 0.000 0.708 138 G HN 0.587 nan 8.290 nan 0.000 0.520 139 L N -1.196 120.182 121.223 0.259 0.000 2.347 139 L HA 0.302 4.642 4.340 0.000 0.000 0.196 139 L C 1.261 178.259 176.870 0.214 0.000 1.072 139 L CA 0.399 55.393 54.840 0.256 0.000 0.817 139 L CB 0.170 42.450 42.059 0.368 0.000 1.029 139 L HN 0.068 nan 8.230 nan 0.000 0.478 140 V N 1.340 121.412 119.914 0.263 0.000 2.304 140 V HA 0.111 4.231 4.120 0.000 0.000 0.269 140 V C -0.751 175.437 176.094 0.157 0.000 1.036 140 V CA -0.671 61.738 62.300 0.183 0.000 0.840 140 V CB 0.639 32.557 31.823 0.158 0.000 1.036 140 V HN 0.163 nan 8.190 nan 0.000 0.466 141 D N 5.105 125.565 120.400 0.100 0.000 2.385 141 D HA 0.339 4.979 4.640 0.000 0.000 0.260 141 D C 1.091 177.394 176.300 0.006 0.000 1.326 141 D CA 1.187 55.221 54.000 0.057 0.000 1.023 141 D CB 1.127 41.954 40.800 0.045 0.000 1.083 141 D HN 0.867 nan 8.370 nan 0.000 0.517 142 G N 1.609 110.405 108.800 -0.008 0.000 3.382 142 G HA2 -0.200 3.760 3.960 0.000 0.000 0.214 142 G HA3 -0.200 3.760 3.960 0.000 0.000 0.214 142 G C -0.026 174.851 174.900 -0.038 0.000 1.025 142 G CA -0.645 44.365 45.100 -0.151 0.000 0.869 142 G HN 0.409 nan 8.290 nan 0.000 0.458 143 L N 3.391 124.717 121.223 0.172 0.000 2.295 143 L HA 0.695 5.035 4.340 0.000 0.000 0.288 143 L C -1.137 175.895 176.870 0.271 0.000 1.079 143 L CA -0.914 54.111 54.840 0.308 0.000 0.830 143 L CB 0.379 42.634 42.059 0.326 0.000 1.200 143 L HN 0.097 nan 8.230 nan 0.000 0.438 144 D N 5.039 125.568 120.400 0.215 0.000 2.228 144 D HA 0.668 5.308 4.640 0.000 0.000 0.247 144 D C -0.568 175.877 176.300 0.243 0.000 0.995 144 D CA 0.269 54.341 54.000 0.120 0.000 0.903 144 D CB 1.531 42.348 40.800 0.028 0.000 1.205 144 D HN 0.375 nan 8.370 nan 0.000 0.459 145 F N -1.075 118.900 119.950 0.042 0.000 2.745 145 F HA 0.873 5.400 4.527 0.000 0.000 0.316 145 F C -1.796 174.026 175.800 0.035 0.000 1.155 145 F CA -1.194 56.842 58.000 0.059 0.000 0.937 145 F CB 1.092 40.165 39.000 0.122 0.000 1.361 145 F HN 0.408 nan 8.300 nan 0.000 0.472 146 A N 0.620 123.649 122.820 0.347 0.000 2.594 146 A HA 0.758 5.078 4.320 0.000 0.000 0.295 146 A C -2.233 175.561 177.584 0.351 0.000 1.071 146 A CA -0.780 51.396 52.037 0.231 0.000 0.685 146 A CB 1.785 20.816 19.000 0.052 0.000 1.285 146 A HN 1.216 nan 8.150 nan 0.000 0.405 147 V N 1.820 121.959 119.914 0.375 0.000 2.419 147 V HA 0.502 4.622 4.120 0.000 0.000 0.287 147 V C -0.261 175.994 176.094 0.267 0.000 1.017 147 V CA -0.302 62.176 62.300 0.297 0.000 0.844 147 V CB 1.164 33.160 31.823 0.289 0.000 1.011 147 V HN 0.918 nan 8.190 nan 0.000 0.429 148 Q N 3.109 123.033 119.800 0.206 0.000 2.309 148 Q HA 0.620 4.960 4.340 0.000 0.000 0.264 148 Q C -1.985 174.195 176.000 0.301 0.000 1.008 148 Q CA -0.744 55.194 55.803 0.225 0.000 0.853 148 Q CB 2.765 31.557 28.738 0.089 0.000 1.314 148 Q HN 0.749 nan 8.270 nan 0.000 0.448 149 Y N 1.768 122.212 120.300 0.241 0.000 2.462 149 Y HA 0.385 4.935 4.550 0.000 0.000 0.346 149 Y C -1.487 174.604 175.900 0.319 0.000 0.976 149 Y CA -0.569 57.672 58.100 0.235 0.000 1.044 149 Y CB 2.000 40.578 38.460 0.197 0.000 1.230 149 Y HN 0.604 nan 8.280 nan 0.000 0.455 150 Q N 4.111 123.619 119.800 -0.486 0.000 2.292 150 Q HA 0.515 4.855 4.340 0.000 0.000 0.270 150 Q C -0.569 175.029 176.000 -0.669 0.000 1.024 150 Q CA -0.875 54.723 55.803 -0.342 0.000 0.768 150 Q CB 1.607 30.306 28.738 -0.065 0.000 1.250 150 Q HN 1.065 nan 8.270 nan 0.000 0.447 151 G N 2.688 111.271 108.800 -0.362 0.000 2.594 151 G HA2 0.055 4.015 3.960 0.000 0.000 0.243 151 G HA3 0.055 4.015 3.960 0.000 0.000 0.243 151 G C -0.536 174.315 174.900 -0.082 0.000 1.229 151 G CA -0.397 44.623 45.100 -0.133 0.000 0.843 151 G HN 0.672 nan 8.290 nan 0.000 0.578 152 K N 0.462 120.858 120.400 -0.007 0.000 2.484 152 K HA 0.017 4.337 4.320 0.000 0.000 0.280 152 K C -0.583 176.019 176.600 0.002 0.000 1.013 152 K CA 0.152 56.444 56.287 0.009 0.000 1.029 152 K CB 0.146 32.672 32.500 0.042 0.000 0.902 152 K HN 0.383 nan 8.250 nan 0.000 0.481 153 N N 2.947 121.642 118.700 -0.009 0.000 2.762 153 N HA 0.220 4.960 4.740 0.000 0.000 0.252 153 N C -0.304 175.198 175.510 -0.013 0.000 1.269 153 N CA -0.333 52.703 53.050 -0.024 0.000 0.799 153 N CB 1.700 40.147 38.487 -0.066 0.000 1.173 153 N HN 0.752 nan 8.380 nan 0.000 0.516 154 G N -0.001 108.800 108.800 0.003 0.000 2.829 154 G HA2 0.394 4.354 3.960 0.000 0.000 0.173 154 G HA3 0.394 4.354 3.960 0.000 0.000 0.173 154 G C 0.140 175.033 174.900 -0.012 0.000 1.476 154 G CA -0.186 44.922 45.100 0.013 0.000 1.072 154 G HN 0.378 nan 8.290 nan 0.000 0.577 155 S N -1.756 113.936 115.700 -0.012 0.000 2.745 155 S HA 0.610 5.080 4.470 0.000 0.000 0.292 155 S C 0.955 175.499 174.600 -0.093 0.000 1.133 155 S CA 0.241 58.401 58.200 -0.066 0.000 0.998 155 S CB 1.683 64.852 63.200 -0.051 0.000 1.087 155 S HN 1.148 nan 8.310 nan 0.000 0.551 156 A N -0.381 122.313 122.820 -0.210 0.000 2.195 156 A HA 0.223 4.543 4.320 0.000 0.000 0.210 156 A C 0.262 177.828 177.584 -0.030 0.000 1.165 156 A CA 0.235 52.173 52.037 -0.165 0.000 0.806 156 A CB -0.510 18.358 19.000 -0.221 0.000 0.847 156 A HN 0.797 nan 8.150 nan 0.000 0.482 157 H N -0.472 118.600 119.070 0.003 0.000 2.690 157 H HA 0.439 4.995 4.556 0.000 0.000 0.280 157 H C 1.540 176.853 175.328 -0.026 0.000 1.138 157 H CA -0.375 55.669 56.048 -0.007 0.000 1.241 157 H CB 0.154 29.917 29.762 0.001 0.000 1.394 157 H HN 0.362 nan 8.280 nan 0.000 0.489 158 G N 4.056 112.905 108.800 0.081 0.000 4.637 158 G HA2 -0.380 3.580 3.960 0.000 0.000 0.359 158 G HA3 -0.380 3.580 3.960 0.000 0.000 0.359 158 G C 0.352 175.226 174.900 -0.043 0.000 1.577 158 G CA 0.667 45.769 45.100 0.004 0.000 1.463 158 G HN 0.586 nan 8.290 nan 0.000 0.849 159 E N 1.954 122.099 120.200 -0.092 0.000 2.217 159 E HA 0.439 4.789 4.350 0.000 0.000 0.279 159 E C 0.849 177.386 176.600 -0.105 0.000 1.068 159 E CA 0.404 56.682 56.400 -0.203 0.000 0.882 159 E CB 0.422 29.847 29.700 -0.459 0.000 1.039 159 E HN 1.705 nan 8.360 nan 0.000 0.418 160 G N 3.821 112.580 108.800 -0.068 0.000 2.256 160 G HA2 -0.311 3.649 3.960 0.000 0.000 0.272 160 G HA3 -0.311 3.649 3.960 0.000 0.000 0.272 160 G C -0.091 174.822 174.900 0.023 0.000 1.076 160 G CA 0.255 45.367 45.100 0.020 0.000 0.882 160 G HN 0.505 nan 8.290 nan 0.000 0.497 161 M N 1.220 120.823 119.600 0.005 0.000 2.367 161 M HA 0.726 5.206 4.480 0.000 0.000 0.339 161 M C 0.683 176.990 176.300 0.011 0.000 1.177 161 M CA 0.192 55.495 55.300 0.005 0.000 1.068 161 M CB 1.402 34.004 32.600 0.004 0.000 1.602 161 M HN 0.602 nan 8.290 nan 0.000 0.457 162 T N -0.658 113.901 114.554 0.008 0.000 2.887 162 T HA 0.297 4.647 4.350 0.000 0.000 0.292 162 T C 0.512 175.219 174.700 0.012 0.000 1.087 162 T CA -0.458 61.651 62.100 0.015 0.000 1.009 162 T CB 1.461 70.339 68.868 0.016 0.000 1.203 162 T HN 0.700 nan 8.240 nan 0.000 0.518 163 T N 0.723 115.289 114.554 0.020 0.000 2.915 163 T HA -0.095 4.255 4.350 0.000 0.000 0.269 163 T C 1.331 176.039 174.700 0.014 0.000 1.071 163 T CA 1.747 63.859 62.100 0.020 0.000 1.132 163 T CB -0.787 68.098 68.868 0.029 0.000 0.878 163 T HN 0.763 nan 8.240 nan 0.000 0.479 164 N N 0.468 119.174 118.700 0.010 0.000 2.251 164 N HA 0.200 4.940 4.740 0.000 0.000 0.217 164 N C 0.725 176.224 175.510 -0.019 0.000 1.124 164 N CA -0.162 52.888 53.050 -0.000 0.000 0.843 164 N CB -0.474 38.013 38.487 0.001 0.000 1.024 164 N HN 0.327 nan 8.380 nan 0.000 0.501 165 G N 1.334 110.120 108.800 -0.023 0.000 2.484 165 G HA2 0.156 4.116 3.960 0.000 0.000 0.235 165 G HA3 0.156 4.116 3.960 0.000 0.000 0.235 165 G C 0.100 174.961 174.900 -0.065 0.000 1.282 165 G CA -0.538 44.536 45.100 -0.042 0.000 0.857 165 G HN 0.517 nan 8.290 nan 0.000 0.571 166 R N 1.545 122.000 120.500 -0.074 0.000 2.562 166 R HA 0.349 4.689 4.340 0.000 0.000 0.298 166 R C -1.097 175.139 176.300 -0.107 0.000 0.961 166 R CA -0.858 55.192 56.100 -0.084 0.000 0.881 166 R CB 1.904 32.161 30.300 -0.070 0.000 1.159 166 R HN 0.298 nan 8.270 nan 0.000 0.450 167 D N 0.514 120.839 120.400 -0.126 0.000 2.347 167 D HA -0.055 4.585 4.640 0.000 0.000 0.215 167 D C -0.172 176.080 176.300 -0.080 0.000 0.976 167 D CA 0.966 54.884 54.000 -0.138 0.000 0.884 167 D CB 0.093 40.806 40.800 -0.145 0.000 0.915 167 D HN 0.514 nan 8.370 nan 0.000 0.526 168 D N -0.081 120.278 120.400 -0.067 0.000 2.382 168 D HA 0.001 4.641 4.640 0.000 0.000 0.245 168 D C 1.253 177.502 176.300 -0.085 0.000 1.120 168 D CA -0.148 53.818 54.000 -0.058 0.000 0.890 168 D CB 1.898 42.683 40.800 -0.024 0.000 1.201 168 D HN -0.211 nan 8.370 nan 0.000 0.433 169 V N 3.444 123.249 119.914 -0.182 0.000 2.825 169 V HA -0.097 4.023 4.120 0.000 0.000 0.246 169 V C 1.789 177.794 176.094 -0.147 0.000 1.068 169 V CA 0.701 62.874 62.300 -0.212 0.000 1.088 169 V CB -0.553 31.060 31.823 -0.351 0.000 0.733 169 V HN 0.489 nan 8.190 nan 0.000 0.468 170 F N 0.960 120.924 119.950 0.024 0.000 2.325 170 F HA -0.017 4.510 4.527 0.000 0.000 0.299 170 F C 2.311 178.060 175.800 -0.087 0.000 1.090 170 F CA 1.013 59.025 58.000 0.019 0.000 1.392 170 F CB -0.489 38.429 39.000 -0.135 0.000 1.053 170 F HN 0.197 nan 8.300 nan 0.000 0.521 171 E N -0.146 120.084 120.200 0.050 0.000 2.285 171 E HA -0.081 4.269 4.350 0.000 0.000 0.194 171 E C 0.715 177.247 176.600 -0.114 0.000 0.997 171 E CA 0.156 56.522 56.400 -0.058 0.000 0.845 171 E CB -0.075 29.590 29.700 -0.060 0.000 0.782 171 E HN 0.499 nan 8.360 nan 0.000 0.491 172 Q N 1.145 120.893 119.800 -0.086 0.000 2.492 172 Q HA 0.137 4.477 4.340 0.000 0.000 0.238 172 Q C -0.260 175.663 176.000 -0.127 0.000 1.045 172 Q CA 0.187 55.946 55.803 -0.073 0.000 0.934 172 Q CB 0.601 29.334 28.738 -0.010 0.000 1.276 172 Q HN 0.152 nan 8.270 nan 0.000 0.521 173 N N -1.832 116.856 118.700 -0.020 0.000 3.046 173 N HA 0.549 5.289 4.740 0.000 0.000 0.243 173 N C -1.137 174.438 175.510 0.108 0.000 1.452 173 N CA -0.652 52.471 53.050 0.122 0.000 0.882 173 N CB 0.825 39.387 38.487 0.125 0.000 1.425 173 N HN 0.525 nan 8.380 nan 0.000 0.517 174 G N -0.884 108.000 108.800 0.140 0.000 2.938 174 G HA2 0.428 4.388 3.960 0.000 0.000 0.258 174 G HA3 0.428 4.388 3.960 0.000 0.000 0.258 174 G C -1.210 173.698 174.900 0.014 0.000 1.356 174 G CA -0.696 44.443 45.100 0.064 0.000 1.052 174 G HN 0.655 nan 8.290 nan 0.000 0.550 175 D N -0.410 119.991 120.400 0.001 0.000 2.417 175 D HA 0.475 5.115 4.640 0.000 0.000 0.250 175 D C 0.487 176.761 176.300 -0.043 0.000 1.166 175 D CA 0.979 54.947 54.000 -0.054 0.000 0.881 175 D CB 1.282 42.126 40.800 0.073 0.000 1.164 175 D HN 0.572 nan 8.370 nan 0.000 0.467 176 G N 0.336 109.064 108.800 -0.119 0.000 2.667 176 G HA2 0.564 4.524 3.960 0.000 0.000 0.298 176 G HA3 0.564 4.524 3.960 0.000 0.000 0.298 176 G C -1.307 173.607 174.900 0.023 0.000 1.377 176 G CA -0.526 44.559 45.100 -0.026 0.000 0.964 176 G HN 0.381 nan 8.290 nan 0.000 0.493 177 V N 0.009 119.968 119.914 0.074 0.000 2.628 177 V HA 0.954 5.074 4.120 0.000 0.000 0.306 177 V C 0.580 176.709 176.094 0.057 0.000 1.045 177 V CA 0.029 62.401 62.300 0.120 0.000 0.905 177 V CB 1.892 33.800 31.823 0.142 0.000 0.997 177 V HN 1.223 nan 8.190 nan 0.000 0.436 178 G N 1.397 110.238 108.800 0.068 0.000 2.690 178 G HA2 0.775 4.735 3.960 0.000 0.000 0.293 178 G HA3 0.775 4.735 3.960 0.000 0.000 0.293 178 G C -0.758 174.165 174.900 0.038 0.000 1.399 178 G CA -0.163 44.947 45.100 0.016 0.000 0.890 178 G HN 1.090 nan 8.290 nan 0.000 0.485 179 G N -0.935 107.870 108.800 0.009 0.000 2.680 179 G HA2 0.848 4.808 3.960 0.000 0.000 0.290 179 G HA3 0.848 4.808 3.960 0.000 0.000 0.290 179 G C -0.682 174.231 174.900 0.022 0.000 1.355 179 G CA 0.034 45.163 45.100 0.048 0.000 0.903 179 G HN 1.678 nan 8.290 nan 0.000 0.474 180 S N -1.003 114.740 115.700 0.071 0.000 2.535 180 S HA 0.732 5.202 4.470 0.000 0.000 0.272 180 S C -1.285 173.392 174.600 0.128 0.000 1.149 180 S CA -0.740 57.486 58.200 0.043 0.000 0.888 180 S CB 1.658 64.855 63.200 -0.006 0.000 1.110 180 S HN 0.687 nan 8.310 nan 0.000 0.463 181 I N 2.611 123.240 120.570 0.098 0.000 2.534 181 I HA 0.421 4.591 4.170 0.000 0.000 0.286 181 I C -0.590 175.619 176.117 0.154 0.000 1.094 181 I CA -0.412 60.987 61.300 0.165 0.000 1.055 181 I CB 2.414 40.487 38.000 0.123 0.000 1.225 181 I HN 0.955 nan 8.210 nan 0.000 0.435 182 T N 2.257 116.937 114.554 0.211 0.000 2.885 182 T HA 0.612 4.962 4.350 0.000 0.000 0.285 182 T C -1.115 173.788 174.700 0.338 0.000 1.019 182 T CA -0.832 61.441 62.100 0.287 0.000 1.010 182 T CB 2.303 71.367 68.868 0.326 0.000 1.022 182 T HN 0.412 nan 8.240 nan 0.000 0.466 183 Y N 1.894 122.326 120.300 0.220 0.000 2.354 183 Y HA 0.518 5.068 4.550 0.000 0.000 0.330 183 Y C -1.087 174.913 175.900 0.167 0.000 1.011 183 Y CA -0.870 57.327 58.100 0.162 0.000 1.099 183 Y CB 1.599 40.132 38.460 0.122 0.000 1.179 183 Y HN 0.800 nan 8.280 nan 0.000 0.442 184 N N 4.784 123.268 118.700 -0.361 0.000 2.314 184 N HA 0.364 5.104 4.740 0.000 0.000 0.304 184 N C -2.278 173.026 175.510 -0.342 0.000 1.073 184 N CA -0.634 52.263 53.050 -0.254 0.000 0.822 184 N CB 2.608 40.999 38.487 -0.160 0.000 1.280 184 N HN 0.671 nan 8.380 nan 0.000 0.489 185 Y N 1.231 121.393 120.300 -0.230 0.000 2.282 185 Y HA 0.056 4.606 4.550 0.000 0.000 0.317 185 Y C -0.787 175.154 175.900 0.068 0.000 1.236 185 Y CA -0.613 57.418 58.100 -0.116 0.000 1.134 185 Y CB 0.287 38.707 38.460 -0.067 0.000 1.267 185 Y HN 0.595 nan 8.280 nan 0.000 0.410 186 E N 4.083 124.095 120.200 -0.313 0.000 2.586 186 E HA -0.264 4.086 4.350 0.000 0.000 0.259 186 E C 1.099 177.668 176.600 -0.053 0.000 1.107 186 E CA 1.663 57.909 56.400 -0.256 0.000 0.754 186 E CB -1.462 27.977 29.700 -0.435 0.000 1.335 186 E HN 1.631 nan 8.360 nan 0.000 0.411 187 G N -0.773 107.953 108.800 -0.124 0.000 2.527 187 G HA2 -0.354 3.606 3.960 0.000 0.000 0.218 187 G HA3 -0.354 3.606 3.960 0.000 0.000 0.218 187 G C 0.288 175.057 174.900 -0.217 0.000 1.177 187 G CA 0.012 44.942 45.100 -0.283 0.000 0.695 187 G HN 0.199 nan 8.290 nan 0.000 0.517 188 F N 2.043 122.006 119.950 0.022 0.000 2.553 188 F HA 0.454 4.981 4.527 0.000 0.000 0.356 188 F C 1.262 177.066 175.800 0.006 0.000 1.142 188 F CA 1.322 59.367 58.000 0.076 0.000 1.322 188 F CB 1.187 40.262 39.000 0.126 0.000 1.126 188 F HN 0.477 nan 8.300 nan 0.000 0.599 189 G N 4.172 113.067 108.800 0.159 0.000 2.575 189 G HA2 0.518 4.478 3.960 0.000 0.000 0.279 189 G HA3 0.518 4.478 3.960 0.000 0.000 0.279 189 G C -1.110 173.964 174.900 0.290 0.000 1.460 189 G CA -0.559 44.592 45.100 0.086 0.000 1.214 189 G HN 0.548 nan 8.290 nan 0.000 0.582 190 I N 1.300 122.111 120.570 0.401 0.000 2.662 190 I HA 0.606 4.776 4.170 0.000 0.000 0.291 190 I C 0.821 177.223 176.117 0.475 0.000 1.046 190 I CA -0.118 61.417 61.300 0.393 0.000 1.361 190 I CB 1.814 39.975 38.000 0.270 0.000 1.429 190 I HN 0.539 nan 8.210 nan 0.000 0.558 191 G N 4.433 113.419 108.800 0.311 0.000 2.608 191 G HA2 0.634 4.594 3.960 0.000 0.000 0.285 191 G HA3 0.634 4.594 3.960 0.000 0.000 0.285 191 G C -1.455 173.427 174.900 -0.030 0.000 1.407 191 G CA -0.291 44.851 45.100 0.071 0.000 1.276 191 G HN 0.786 nan 8.290 nan 0.000 0.587 192 A N 1.018 123.834 122.820 -0.007 0.000 2.340 192 A HA 1.060 5.380 4.320 0.000 0.000 0.331 192 A C 0.053 177.610 177.584 -0.044 0.000 1.140 192 A CA -0.232 51.799 52.037 -0.011 0.000 0.801 192 A CB 1.859 20.875 19.000 0.026 0.000 1.234 192 A HN 2.366 nan 8.150 nan 0.000 0.469 193 A N 1.000 123.790 122.820 -0.049 0.000 2.512 193 A HA 0.596 4.916 4.320 0.000 0.000 0.294 193 A C -1.499 176.029 177.584 -0.094 0.000 1.054 193 A CA -0.288 51.704 52.037 -0.075 0.000 0.756 193 A CB 1.037 19.961 19.000 -0.126 0.000 1.293 193 A HN 1.401 nan 8.150 nan 0.000 0.395 194 V N 2.334 122.176 119.914 -0.121 0.000 2.525 194 V HA 0.759 4.879 4.120 0.000 0.000 0.299 194 V C 0.304 176.270 176.094 -0.214 0.000 1.034 194 V CA -0.056 62.095 62.300 -0.247 0.000 0.863 194 V CB 1.674 33.344 31.823 -0.256 0.000 0.999 194 V HN 1.280 nan 8.190 nan 0.000 0.423 195 S N 3.193 118.739 115.700 -0.257 0.000 2.648 195 S HA 0.885 5.355 4.470 0.000 0.000 0.305 195 S C -0.516 173.957 174.600 -0.211 0.000 1.094 195 S CA -0.544 57.556 58.200 -0.166 0.000 0.983 195 S CB 2.163 65.306 63.200 -0.095 0.000 1.101 195 S HN 0.924 nan 8.310 nan 0.000 0.514 196 S N 1.092 116.715 115.700 -0.129 0.000 2.653 196 S HA 0.565 5.035 4.470 0.000 0.000 0.268 196 S C -1.475 173.073 174.600 -0.087 0.000 1.153 196 S CA -0.518 57.605 58.200 -0.127 0.000 1.036 196 S CB 0.669 63.810 63.200 -0.099 0.000 1.103 196 S HN 0.782 nan 8.310 nan 0.000 0.466 197 S N 3.619 119.234 115.700 -0.141 0.000 2.503 197 S HA 0.505 4.975 4.470 0.000 0.000 0.301 197 S C -0.376 174.141 174.600 -0.138 0.000 1.087 197 S CA -0.872 57.258 58.200 -0.116 0.000 1.042 197 S CB 1.696 64.832 63.200 -0.107 0.000 1.043 197 S HN 0.790 nan 8.310 nan 0.000 0.489 198 K N 1.388 121.753 120.400 -0.058 0.000 2.230 198 K HA 0.263 4.583 4.320 0.000 0.000 0.253 198 K C -0.320 176.257 176.600 -0.039 0.000 1.008 198 K CA -0.044 56.219 56.287 -0.040 0.000 0.910 198 K CB 0.470 32.976 32.500 0.010 0.000 0.994 198 K HN 0.527 nan 8.250 nan 0.000 0.495 199 R N 0.472 120.951 120.500 -0.035 0.000 2.854 199 R HA 0.295 4.635 4.340 0.000 0.000 0.271 199 R C -0.676 175.647 176.300 0.037 0.000 0.996 199 R CA -0.850 55.243 56.100 -0.010 0.000 0.961 199 R CB 2.019 32.245 30.300 -0.125 0.000 1.182 199 R HN 0.607 nan 8.270 nan 0.000 0.479 200 T N 0.186 114.780 114.554 0.067 0.000 2.882 200 T HA -0.005 4.345 4.350 0.000 0.000 0.287 200 T C 0.607 175.385 174.700 0.130 0.000 1.014 200 T CA -0.481 61.685 62.100 0.111 0.000 1.049 200 T CB 0.733 69.669 68.868 0.114 0.000 1.001 200 T HN 0.653 nan 8.240 nan 0.000 0.525 201 W N 1.558 122.863 121.300 0.010 0.000 2.338 201 W HA -0.170 4.490 4.660 0.000 0.000 0.304 201 W C 1.466 177.997 176.519 0.019 0.000 1.212 201 W CA 1.553 58.906 57.345 0.013 0.000 1.264 201 W CB -0.178 29.292 29.460 0.016 0.000 1.142 201 W HN 0.723 nan 8.180 nan 0.000 0.512 202 D N -0.354 120.238 120.400 0.320 0.000 2.117 202 D HA -0.240 4.400 4.640 0.000 0.000 0.197 202 D C 2.087 178.397 176.300 0.018 0.000 0.987 202 D CA 1.738 55.842 54.000 0.173 0.000 0.829 202 D CB -0.771 40.141 40.800 0.187 0.000 0.961 202 D HN 0.390 nan 8.370 nan 0.000 0.460 203 Q N -0.045 119.777 119.800 0.037 0.000 2.135 203 Q HA -0.120 4.220 4.340 0.000 0.000 0.204 203 Q C 1.597 177.600 176.000 0.005 0.000 0.981 203 Q CA 1.000 56.840 55.803 0.062 0.000 0.856 203 Q CB -0.026 28.676 28.738 -0.060 0.000 0.902 203 Q HN 0.287 nan 8.270 nan 0.000 0.425 204 N N 0.317 118.942 118.700 -0.126 0.000 2.333 204 N HA -0.043 4.697 4.740 0.000 0.000 0.178 204 N C 0.467 175.850 175.510 -0.211 0.000 1.018 204 N CA 0.754 53.709 53.050 -0.159 0.000 0.882 204 N CB 0.077 38.435 38.487 -0.215 0.000 0.984 204 N HN 0.217 nan 8.380 nan 0.000 0.434 205 N N 0.108 118.581 118.700 -0.379 0.000 2.389 205 N HA 0.076 4.816 4.740 0.000 0.000 0.260 205 N C 0.368 175.718 175.510 -0.267 0.000 1.191 205 N CA 0.170 52.928 53.050 -0.488 0.000 0.885 205 N CB 0.512 38.281 38.487 -1.196 0.000 1.162 205 N HN 0.266 nan 8.380 nan 0.000 0.512 206 T N -3.919 110.567 114.554 -0.114 0.000 3.069 206 T HA 0.253 4.603 4.350 0.000 0.000 0.252 206 T C 1.333 176.024 174.700 -0.014 0.000 1.053 206 T CA 0.291 62.368 62.100 -0.037 0.000 0.964 206 T CB 0.332 69.186 68.868 -0.023 0.000 1.005 206 T HN 0.231 nan 8.240 nan 0.000 0.532 207 G N 1.488 110.278 108.800 -0.016 0.000 2.147 207 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 207 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 207 G C -0.093 174.840 174.900 0.056 0.000 1.005 207 G CA 0.161 45.269 45.100 0.013 0.000 0.713 207 G HN 0.622 nan 8.290 nan 0.000 0.515 208 L N 0.489 121.767 121.223 0.091 0.000 2.421 208 L HA 0.645 4.985 4.340 0.000 0.000 0.263 208 L C 1.709 178.701 176.870 0.202 0.000 1.122 208 L CA -1.192 53.727 54.840 0.131 0.000 0.804 208 L CB 0.707 42.831 42.059 0.109 0.000 1.150 208 L HN 0.355 nan 8.230 nan 0.000 0.457 209 I N -1.219 119.476 120.570 0.209 0.000 3.004 209 I HA 0.448 4.618 4.170 0.000 0.000 0.287 209 I C 1.036 177.356 176.117 0.339 0.000 1.144 209 I CA -0.245 61.196 61.300 0.234 0.000 1.353 209 I CB 0.238 38.369 38.000 0.218 0.000 1.417 209 I HN 0.760 nan 8.210 nan 0.000 0.602 210 G N 2.527 111.489 108.800 0.269 0.000 2.314 210 G HA2 -0.204 3.756 3.960 0.000 0.000 0.292 210 G HA3 -0.204 3.756 3.960 0.000 0.000 0.292 210 G C 0.067 175.105 174.900 0.229 0.000 1.059 210 G CA 0.324 45.589 45.100 0.276 0.000 0.982 210 G HN 1.270 nan 8.290 nan 0.000 0.505 211 T N -1.847 112.788 114.554 0.135 0.000 2.902 211 T HA 0.911 5.261 4.350 0.000 0.000 0.283 211 T C 0.630 175.310 174.700 -0.034 0.000 1.009 211 T CA 0.219 62.331 62.100 0.019 0.000 1.051 211 T CB 2.994 71.879 68.868 0.028 0.000 0.999 211 T HN 1.774 nan 8.240 nan 0.000 0.474 212 G N 0.585 109.328 108.800 -0.096 0.000 2.554 212 G HA2 0.401 4.361 3.960 0.000 0.000 0.306 212 G HA3 0.401 4.361 3.960 0.000 0.000 0.306 212 G C -0.253 174.589 174.900 -0.097 0.000 1.320 212 G CA -0.186 44.867 45.100 -0.078 0.000 0.800 212 G HN 0.610 nan 8.290 nan 0.000 0.481 213 D N -0.719 119.641 120.400 -0.068 0.000 2.137 213 D HA 0.053 4.694 4.640 0.000 0.000 0.202 213 D C 0.840 177.088 176.300 -0.086 0.000 0.970 213 D CA 0.989 54.954 54.000 -0.058 0.000 0.837 213 D CB 0.204 40.988 40.800 -0.027 0.000 0.981 213 D HN 0.343 nan 8.370 nan 0.000 0.475 214 R N -0.390 120.051 120.500 -0.097 0.000 2.628 214 R HA 0.724 5.064 4.340 0.000 0.000 0.288 214 R C -1.009 175.168 176.300 -0.205 0.000 0.980 214 R CA -0.896 55.123 56.100 -0.136 0.000 0.891 214 R CB 2.310 32.570 30.300 -0.067 0.000 1.188 214 R HN -0.018 nan 8.270 nan 0.000 0.450 215 A N 2.651 125.238 122.820 -0.389 0.000 2.289 215 A HA 0.406 4.726 4.320 0.000 0.000 0.298 215 A C -0.533 176.855 177.584 -0.327 0.000 1.208 215 A CA -0.376 51.365 52.037 -0.494 0.000 0.845 215 A CB 0.555 18.845 19.000 -1.182 0.000 1.125 215 A HN 0.747 nan 8.150 nan 0.000 0.517 216 E N 0.625 120.709 120.200 -0.193 0.000 2.317 216 E HA 0.605 4.955 4.350 0.000 0.000 0.270 216 E C -0.873 175.585 176.600 -0.236 0.000 0.885 216 E CA -0.775 55.502 56.400 -0.205 0.000 0.760 216 E CB 2.388 32.014 29.700 -0.123 0.000 1.227 216 E HN 0.714 nan 8.360 nan 0.000 0.434 217 T N -0.756 113.606 114.554 -0.320 0.000 2.893 217 T HA 0.593 4.943 4.350 0.000 0.000 0.293 217 T C -1.287 173.145 174.700 -0.446 0.000 1.027 217 T CA -0.615 61.346 62.100 -0.232 0.000 0.988 217 T CB 0.615 69.415 68.868 -0.112 0.000 1.043 217 T HN 0.361 nan 8.240 nan 0.000 0.461 218 Y N 0.651 120.888 120.300 -0.104 0.000 2.409 218 Y HA 0.649 5.199 4.550 0.000 0.000 0.343 218 Y C 0.262 176.169 175.900 0.011 0.000 0.973 218 Y CA -0.752 57.313 58.100 -0.058 0.000 1.064 218 Y CB 3.000 41.413 38.460 -0.077 0.000 1.207 218 Y HN 0.818 nan 8.280 nan 0.000 0.452 219 T N 1.966 116.596 114.554 0.126 0.000 3.143 219 T HA 0.524 4.875 4.350 0.000 0.000 0.312 219 T C -0.211 174.528 174.700 0.064 0.000 0.986 219 T CA -0.908 61.246 62.100 0.090 0.000 1.024 219 T CB 1.225 70.088 68.868 -0.008 0.000 1.030 219 T HN 0.899 nan 8.240 nan 0.000 0.448 220 G N 0.801 109.672 108.800 0.118 0.000 2.417 220 G HA2 0.777 4.737 3.960 0.000 0.000 0.334 220 G HA3 0.777 4.737 3.960 0.000 0.000 0.334 220 G C -0.430 174.528 174.900 0.096 0.000 1.150 220 G CA -0.916 44.241 45.100 0.095 0.000 0.923 220 G HN 0.945 nan 8.290 nan 0.000 0.485 221 G N -0.353 108.496 108.800 0.082 0.000 2.766 221 G HA2 0.563 4.524 3.960 0.000 0.000 0.297 221 G HA3 0.563 4.524 3.960 0.000 0.000 0.297 221 G C -1.367 173.751 174.900 0.363 0.000 1.431 221 G CA -0.630 44.552 45.100 0.137 0.000 1.042 221 G HN 0.662 nan 8.290 nan 0.000 0.542 222 L N 1.108 122.574 121.223 0.406 0.000 2.401 222 L HA 0.772 5.112 4.340 0.000 0.000 0.266 222 L C -0.264 176.742 176.870 0.227 0.000 0.991 222 L CA -1.008 54.050 54.840 0.363 0.000 0.818 222 L CB 2.795 45.002 42.059 0.246 0.000 1.321 222 L HN 0.809 nan 8.230 nan 0.000 0.413 223 K N 1.417 121.815 120.400 -0.003 0.000 2.532 223 K HA 0.579 4.899 4.320 0.000 0.000 0.265 223 K C -1.946 174.471 176.600 -0.306 0.000 0.948 223 K CA -0.953 55.150 56.287 -0.307 0.000 0.842 223 K CB 2.494 34.594 32.500 -0.667 0.000 1.392 223 K HN 0.396 nan 8.250 nan 0.000 0.436 224 Y N 1.481 121.439 120.300 -0.569 0.000 2.346 224 Y HA 0.378 4.928 4.550 0.000 0.000 0.332 224 Y C -1.702 173.885 175.900 -0.521 0.000 0.985 224 Y CA -0.857 56.866 58.100 -0.629 0.000 1.112 224 Y CB 2.019 40.044 38.460 -0.726 0.000 1.170 224 Y HN 0.843 nan 8.280 nan 0.000 0.447 225 D N 5.440 125.249 120.400 -0.986 0.000 2.400 225 D HA 0.649 5.289 4.640 0.000 0.000 0.272 225 D C -1.471 174.395 176.300 -0.724 0.000 1.220 225 D CA 0.169 53.794 54.000 -0.626 0.000 0.897 225 D CB 0.489 41.111 40.800 -0.297 0.000 1.134 225 D HN 0.801 nan 8.370 nan 0.000 0.507 226 A N 2.111 124.393 122.820 -0.896 0.000 2.597 226 A HA 0.561 4.881 4.320 0.000 0.000 0.292 226 A C -0.373 177.018 177.584 -0.323 0.000 1.057 226 A CA -0.831 50.862 52.037 -0.573 0.000 0.674 226 A CB 0.595 19.258 19.000 -0.563 0.000 1.278 226 A HN 0.228 nan 8.150 nan 0.000 0.416 227 N N 1.784 120.383 118.700 -0.168 0.000 2.727 227 N HA -0.179 4.561 4.740 0.000 0.000 0.251 227 N C 0.240 175.702 175.510 -0.080 0.000 1.040 227 N CA 1.343 54.355 53.050 -0.064 0.000 0.712 227 N CB -1.172 37.342 38.487 0.046 0.000 0.912 227 N HN 0.789 nan 8.380 nan 0.000 0.545 228 N N -2.504 116.072 118.700 -0.207 0.000 2.815 228 N HA -0.226 4.514 4.740 0.000 0.000 0.247 228 N C -0.553 174.760 175.510 -0.329 0.000 1.030 228 N CA 1.466 54.283 53.050 -0.389 0.000 0.881 228 N CB -0.890 37.182 38.487 -0.692 0.000 1.134 228 N HN 0.638 nan 8.380 nan 0.000 0.582 229 I N 0.492 120.990 120.570 -0.121 0.000 2.441 229 I HA 0.245 4.415 4.170 0.000 0.000 0.295 229 I C -0.483 175.618 176.117 -0.027 0.000 0.994 229 I CA -0.803 60.513 61.300 0.027 0.000 1.144 229 I CB 1.526 39.640 38.000 0.189 0.000 1.314 229 I HN -0.064 nan 8.210 nan 0.000 0.445 230 Y N 7.333 127.579 120.300 -0.090 0.000 2.426 230 Y HA 0.549 5.099 4.550 0.000 0.000 0.325 230 Y C -1.353 174.536 175.900 -0.018 0.000 0.989 230 Y CA -0.583 57.447 58.100 -0.117 0.000 1.284 230 Y CB 0.874 39.253 38.460 -0.134 0.000 1.104 230 Y HN 0.341 nan 8.280 nan 0.000 0.481 231 L N 5.678 126.710 121.223 -0.318 0.000 2.307 231 L HA 0.951 5.291 4.340 0.000 0.000 0.284 231 L C -0.563 176.040 176.870 -0.446 0.000 1.023 231 L CA -0.934 53.770 54.840 -0.227 0.000 0.810 231 L CB 1.584 43.615 42.059 -0.047 0.000 1.231 231 L HN 0.735 nan 8.230 nan 0.000 0.423 232 A N 2.739 125.382 122.820 -0.294 0.000 2.555 232 A HA 0.893 5.213 4.320 0.000 0.000 0.297 232 A C -1.318 176.248 177.584 -0.029 0.000 1.060 232 A CA -0.129 51.790 52.037 -0.197 0.000 0.710 232 A CB 1.733 20.535 19.000 -0.331 0.000 1.282 232 A HN 0.802 nan 8.150 nan 0.000 0.399 233 A N 1.106 123.948 122.820 0.037 0.000 2.530 233 A HA 1.016 5.336 4.320 0.000 0.000 0.288 233 A C -0.964 176.647 177.584 0.045 0.000 1.172 233 A CA -0.229 51.786 52.037 -0.036 0.000 0.733 233 A CB 1.718 20.743 19.000 0.043 0.000 1.320 233 A HN 2.182 nan 8.150 nan 0.000 0.419 234 Q N -1.018 118.744 119.800 -0.064 0.000 2.479 234 Q HA 0.577 4.917 4.340 0.000 0.000 0.276 234 Q C -1.991 174.118 176.000 0.183 0.000 0.989 234 Q CA -0.454 55.402 55.803 0.087 0.000 0.864 234 Q CB 0.990 29.744 28.738 0.026 0.000 1.444 234 Q HN 0.781 nan 8.270 nan 0.000 0.388 235 Y N 1.021 121.426 120.300 0.175 0.000 2.335 235 Y HA 0.713 5.263 4.550 0.000 0.000 0.338 235 Y C -0.962 175.013 175.900 0.125 0.000 0.977 235 Y CA -0.384 57.840 58.100 0.208 0.000 1.114 235 Y CB 2.237 40.814 38.460 0.196 0.000 1.182 235 Y HN 0.787 nan 8.280 nan 0.000 0.463 236 T N 5.989 120.650 114.554 0.177 0.000 2.906 236 T HA 0.200 4.550 4.350 0.000 0.000 0.302 236 T C -1.085 173.733 174.700 0.197 0.000 1.002 236 T CA -0.629 61.590 62.100 0.198 0.000 0.988 236 T CB 1.030 69.975 68.868 0.130 0.000 0.972 236 T HN 0.613 nan 8.240 nan 0.000 0.447 237 Q N 2.482 122.465 119.800 0.305 0.000 2.256 237 Q HA 0.661 5.001 4.340 0.000 0.000 0.257 237 Q C -0.495 175.591 176.000 0.144 0.000 0.936 237 Q CA -0.621 55.337 55.803 0.258 0.000 0.903 237 Q CB 1.004 29.925 28.738 0.305 0.000 1.263 237 Q HN 0.749 nan 8.270 nan 0.000 0.440 238 T N 0.455 115.085 114.554 0.126 0.000 2.893 238 T HA 0.482 4.832 4.350 0.000 0.000 0.293 238 T C -1.076 173.743 174.700 0.200 0.000 1.027 238 T CA -0.587 61.556 62.100 0.073 0.000 0.988 238 T CB 0.620 69.567 68.868 0.131 0.000 1.043 238 T HN 0.499 nan 8.240 nan 0.000 0.461 239 Y N 1.929 122.296 120.300 0.112 0.000 2.342 239 Y HA 0.394 4.944 4.550 0.000 0.000 0.338 239 Y C 0.933 176.839 175.900 0.010 0.000 0.965 239 Y CA -1.349 56.792 58.100 0.068 0.000 1.159 239 Y CB 1.028 39.523 38.460 0.059 0.000 1.157 239 Y HN 0.766 nan 8.280 nan 0.000 0.486 240 N N 1.390 120.206 118.700 0.193 0.000 2.725 240 N HA -0.248 4.492 4.740 0.000 0.000 0.249 240 N C 0.328 175.815 175.510 -0.037 0.000 1.103 240 N CA 0.923 54.021 53.050 0.080 0.000 0.707 240 N CB -0.794 37.672 38.487 -0.035 0.000 1.043 240 N HN 0.833 nan 8.380 nan 0.000 0.553 241 A N -1.013 121.885 122.820 0.129 0.000 2.009 241 A HA 0.163 4.483 4.320 0.000 0.000 0.197 241 A C 0.874 178.769 177.584 0.518 0.000 1.471 241 A CA 0.561 52.705 52.037 0.178 0.000 0.973 241 A CB 0.261 19.284 19.000 0.039 0.000 1.020 241 A HN 0.190 nan 8.150 nan 0.000 0.476 242 T N 1.847 116.646 114.554 0.408 0.000 2.870 242 T HA 0.310 4.660 4.350 0.000 0.000 0.300 242 T C 0.274 175.210 174.700 0.394 0.000 0.989 242 T CA -0.144 62.170 62.100 0.358 0.000 1.139 242 T CB 0.555 69.562 68.868 0.232 0.000 0.920 242 T HN 0.452 nan 8.240 nan 0.000 0.537 243 R N 2.263 122.903 120.500 0.232 0.000 2.543 243 R HA 0.344 4.684 4.340 0.000 0.000 0.277 243 R C -1.160 175.077 176.300 -0.105 0.000 1.074 243 R CA -0.245 55.817 56.100 -0.064 0.000 1.076 243 R CB 0.351 30.488 30.300 -0.271 0.000 0.993 243 R HN 0.433 nan 8.270 nan 0.000 0.459 244 V N 5.564 125.360 119.914 -0.196 0.000 2.320 244 V HA 0.334 4.454 4.120 0.000 0.000 0.268 244 V C 0.848 176.757 176.094 -0.308 0.000 1.021 244 V CA 0.183 62.382 62.300 -0.168 0.000 0.813 244 V CB 0.300 32.115 31.823 -0.013 0.000 1.054 244 V HN 1.208 nan 8.190 nan 0.000 0.444 245 G N 4.583 113.169 108.800 -0.358 0.000 2.574 245 G HA2 -0.310 3.650 3.960 0.000 0.000 0.286 245 G HA3 -0.310 3.650 3.960 0.000 0.000 0.286 245 G C 1.034 175.684 174.900 -0.417 0.000 1.212 245 G CA 0.756 45.635 45.100 -0.368 0.000 0.979 245 G HN 1.401 nan 8.290 nan 0.000 0.557 246 S N -0.277 115.260 115.700 -0.271 0.000 2.535 246 S HA 0.362 4.832 4.470 0.000 0.000 0.214 246 S C 2.348 176.946 174.600 -0.004 0.000 0.980 246 S CA 1.019 59.140 58.200 -0.132 0.000 0.907 246 S CB 0.224 63.387 63.200 -0.062 0.000 0.790 246 S HN 0.644 nan 8.310 nan 0.000 0.510 247 L N 1.239 122.408 121.223 -0.090 0.000 2.083 247 L HA 0.226 4.566 4.340 0.000 0.000 0.209 247 L C 1.788 178.662 176.870 0.006 0.000 1.083 247 L CA 1.145 55.966 54.840 -0.031 0.000 0.752 247 L CB -0.745 41.266 42.059 -0.080 0.000 0.899 247 L HN 0.695 nan 8.230 nan 0.000 0.433 248 G N -2.794 105.973 108.800 -0.054 0.000 2.384 248 G HA2 -0.048 3.912 3.960 0.000 0.000 0.113 248 G HA3 -0.048 3.912 3.960 0.000 0.000 0.113 248 G C -1.715 173.025 174.900 -0.268 0.000 1.224 248 G CA -0.690 44.317 45.100 -0.155 0.000 1.126 248 G HN -0.048 nan 8.290 nan 0.000 0.461 249 W N 0.421 121.855 121.300 0.222 0.000 2.804 249 W HA 0.725 5.385 4.660 0.000 0.000 0.352 249 W C 0.160 176.772 176.519 0.155 0.000 1.153 249 W CA -0.219 57.245 57.345 0.198 0.000 1.119 249 W CB 1.962 31.558 29.460 0.227 0.000 1.448 249 W HN 0.903 nan 8.180 nan 0.000 0.600 250 A N 1.789 124.848 122.820 0.399 0.000 2.252 250 A HA 0.205 4.525 4.320 0.000 0.000 0.309 250 A C 0.917 178.652 177.584 0.252 0.000 1.285 250 A CA -0.426 51.775 52.037 0.272 0.000 0.900 250 A CB 0.183 19.317 19.000 0.223 0.000 1.157 250 A HN 0.657 nan 8.150 nan 0.000 0.536 251 N N 1.105 119.925 118.700 0.200 0.000 2.096 251 N HA -0.157 4.583 4.740 0.000 0.000 0.195 251 N C 0.427 176.033 175.510 0.159 0.000 1.017 251 N CA 1.592 54.731 53.050 0.148 0.000 0.870 251 N CB -0.001 38.544 38.487 0.097 0.000 1.024 251 N HN 0.764 nan 8.380 nan 0.000 0.434 252 K N -0.657 119.843 120.400 0.167 0.000 2.525 252 K HA 0.560 4.880 4.320 0.000 0.000 0.254 252 K C -1.982 174.729 176.600 0.185 0.000 0.934 252 K CA -0.511 55.904 56.287 0.214 0.000 0.802 252 K CB 2.124 34.722 32.500 0.162 0.000 1.295 252 K HN -0.037 nan 8.250 nan 0.000 0.433 253 A N 3.572 126.513 122.820 0.201 0.000 2.398 253 A HA 0.417 4.737 4.320 0.000 0.000 0.301 253 A C -1.443 176.221 177.584 0.134 0.000 1.041 253 A CA -0.684 51.443 52.037 0.151 0.000 0.711 253 A CB 1.540 20.632 19.000 0.153 0.000 1.240 253 A HN 0.697 nan 8.150 nan 0.000 0.420 254 Q N 2.231 122.082 119.800 0.085 0.000 2.431 254 Q HA 0.301 4.641 4.340 0.000 0.000 0.249 254 Q C -0.980 174.951 176.000 -0.115 0.000 1.025 254 Q CA -0.622 55.193 55.803 0.019 0.000 0.835 254 Q CB 1.134 29.914 28.738 0.071 0.000 1.207 254 Q HN 0.688 nan 8.270 nan 0.000 0.490 255 N N 2.462 121.059 118.700 -0.172 0.000 2.399 255 N HA 0.510 5.250 4.740 0.000 0.000 0.295 255 N C -1.339 174.038 175.510 -0.222 0.000 1.048 255 N CA -0.286 52.677 53.050 -0.146 0.000 0.886 255 N CB 1.444 39.903 38.487 -0.046 0.000 1.185 255 N HN 0.439 nan 8.380 nan 0.000 0.487 256 F N 0.555 120.307 119.950 -0.330 0.000 2.588 256 F HA 0.363 4.890 4.527 0.000 0.000 0.318 256 F C -1.132 174.508 175.800 -0.266 0.000 1.155 256 F CA -0.602 57.222 58.000 -0.294 0.000 0.967 256 F CB 1.495 40.317 39.000 -0.298 0.000 1.236 256 F HN 0.359 nan 8.300 nan 0.000 0.455 257 E N 4.466 124.079 120.200 -0.978 0.000 2.266 257 E HA 0.823 5.173 4.350 0.000 0.000 0.268 257 E C -1.453 174.572 176.600 -0.958 0.000 0.879 257 E CA -1.424 54.498 56.400 -0.798 0.000 0.762 257 E CB 2.265 31.734 29.700 -0.385 0.000 1.199 257 E HN 0.730 nan 8.360 nan 0.000 0.422 258 A N 1.795 124.284 122.820 -0.553 0.000 2.455 258 A HA 0.683 5.003 4.320 0.000 0.000 0.300 258 A C -1.258 176.319 177.584 -0.012 0.000 1.040 258 A CA -0.607 51.288 52.037 -0.236 0.000 0.697 258 A CB 1.373 20.367 19.000 -0.011 0.000 1.265 258 A HN 0.304 nan 8.150 nan 0.000 0.407 259 V N 0.312 120.249 119.914 0.040 0.000 2.841 259 V HA 0.867 4.987 4.120 0.000 0.000 0.310 259 V C -0.012 176.160 176.094 0.130 0.000 1.090 259 V CA -0.261 62.109 62.300 0.117 0.000 0.930 259 V CB 1.840 33.752 31.823 0.149 0.000 1.014 259 V HN 1.659 nan 8.190 nan 0.000 0.425 260 A N 3.715 126.641 122.820 0.176 0.000 2.385 260 A HA 0.831 5.151 4.320 0.000 0.000 0.290 260 A C -0.838 176.878 177.584 0.221 0.000 1.094 260 A CA -0.537 51.598 52.037 0.163 0.000 0.729 260 A CB 1.359 20.435 19.000 0.127 0.000 1.194 260 A HN 0.804 nan 8.150 nan 0.000 0.442 261 Q N 0.721 120.659 119.800 0.229 0.000 2.375 261 Q HA 0.541 4.881 4.340 0.000 0.000 0.271 261 Q C -1.902 174.212 176.000 0.191 0.000 1.074 261 Q CA -0.645 55.299 55.803 0.235 0.000 0.808 261 Q CB 3.036 31.906 28.738 0.220 0.000 1.327 261 Q HN 0.730 nan 8.270 nan 0.000 0.441 262 Y N 1.212 121.508 120.300 -0.007 0.000 2.391 262 Y HA 0.319 4.869 4.550 0.000 0.000 0.341 262 Y C -1.088 174.665 175.900 -0.245 0.000 0.965 262 Y CA -0.805 57.191 58.100 -0.173 0.000 1.067 262 Y CB 1.963 40.238 38.460 -0.308 0.000 1.199 262 Y HN 0.512 nan 8.280 nan 0.000 0.450 263 Q N 5.401 124.648 119.800 -0.922 0.000 2.398 263 Q HA 0.373 4.713 4.340 0.000 0.000 0.251 263 Q C -1.844 173.641 176.000 -0.858 0.000 0.999 263 Q CA -0.203 55.210 55.803 -0.650 0.000 0.874 263 Q CB 0.041 28.500 28.738 -0.465 0.000 1.215 263 Q HN 0.556 nan 8.270 nan 0.000 0.470 264 F N 1.942 121.646 119.950 -0.409 0.000 2.410 264 F HA 0.116 4.643 4.527 0.000 0.000 0.334 264 F C 1.265 176.771 175.800 -0.491 0.000 1.134 264 F CA -0.073 57.684 58.000 -0.406 0.000 1.227 264 F CB 0.794 39.426 39.000 -0.615 0.000 1.194 264 F HN 0.592 nan 8.300 nan 0.000 0.571 265 D N 1.311 121.656 120.400 -0.090 0.000 2.144 265 D HA -0.183 4.457 4.640 0.000 0.000 0.200 265 D C 2.027 178.308 176.300 -0.033 0.000 0.978 265 D CA 1.561 55.532 54.000 -0.049 0.000 0.833 265 D CB -0.333 40.515 40.800 0.080 0.000 0.961 265 D HN 0.517 nan 8.370 nan 0.000 0.470 266 F N -1.495 118.527 119.950 0.119 0.000 2.293 266 F HA 0.228 4.755 4.527 0.000 0.000 0.300 266 F C 1.735 177.552 175.800 0.029 0.000 1.086 266 F CA 1.075 59.134 58.000 0.098 0.000 1.375 266 F CB -0.333 38.746 39.000 0.132 0.000 1.045 266 F HN 0.008 nan 8.300 nan 0.000 0.516 267 G N 0.009 108.585 108.800 -0.374 0.000 3.655 267 G HA2 -0.012 3.948 3.960 0.000 0.000 0.219 267 G HA3 -0.012 3.948 3.960 0.000 0.000 0.219 267 G C -0.533 174.161 174.900 -0.344 0.000 0.933 267 G CA -0.151 44.671 45.100 -0.463 0.000 0.856 267 G HN 0.282 nan 8.290 nan 0.000 0.523 268 L N 2.031 123.100 121.223 -0.256 0.000 2.380 268 L HA 0.762 5.102 4.340 0.000 0.000 0.273 268 L C 0.529 177.501 176.870 0.169 0.000 1.138 268 L CA -0.226 54.678 54.840 0.107 0.000 0.832 268 L CB 0.857 43.085 42.059 0.281 0.000 1.124 268 L HN 0.213 nan 8.230 nan 0.000 0.454 269 R N 5.747 126.379 120.500 0.220 0.000 2.629 269 R HA 0.438 4.778 4.340 0.000 0.000 0.275 269 R C -2.674 173.805 176.300 0.298 0.000 1.719 269 R CA -1.586 54.653 56.100 0.233 0.000 1.472 269 R CB 0.904 31.367 30.300 0.273 0.000 1.237 269 R HN 0.464 nan 8.270 nan 0.000 0.589 270 P HA 0.187 nan 4.420 nan 0.000 0.274 270 P C -1.028 176.422 177.300 0.251 0.000 1.237 270 P CA -0.019 63.197 63.100 0.194 0.000 0.793 270 P CB 0.412 32.234 31.700 0.204 0.000 0.977 271 F N 0.081 120.122 119.950 0.151 0.000 2.613 271 F HA 0.777 5.304 4.527 0.000 0.000 0.314 271 F C -1.558 174.321 175.800 0.132 0.000 1.075 271 F CA -1.504 56.578 58.000 0.135 0.000 0.945 271 F CB 1.259 40.333 39.000 0.123 0.000 1.310 271 F HN 0.076 nan 8.300 nan 0.000 0.467 272 L N 2.599 124.021 121.223 0.332 0.000 2.563 272 L HA 0.842 5.182 4.340 0.000 0.000 0.259 272 L C -1.161 175.869 176.870 0.267 0.000 1.034 272 L CA -0.798 54.178 54.840 0.227 0.000 0.899 272 L CB 0.543 42.675 42.059 0.122 0.000 1.159 272 L HN 1.086 nan 8.230 nan 0.000 0.456 273 A N 3.385 126.402 122.820 0.328 0.000 2.281 273 A HA 0.850 5.170 4.320 0.000 0.000 0.329 273 A C -1.788 175.936 177.584 0.233 0.000 1.122 273 A CA -0.425 51.756 52.037 0.241 0.000 0.850 273 A CB 1.113 20.240 19.000 0.212 0.000 1.207 273 A HN 0.774 nan 8.150 nan 0.000 0.495 274 Y N 0.088 120.373 120.300 -0.025 0.000 2.441 274 Y HA 0.631 5.181 4.550 0.000 0.000 0.334 274 Y C -1.944 173.840 175.900 -0.193 0.000 1.061 274 Y CA -1.170 56.886 58.100 -0.074 0.000 1.032 274 Y CB 1.138 39.622 38.460 0.040 0.000 1.266 274 Y HN 0.616 nan 8.280 nan 0.000 0.441 275 L N 4.811 125.535 121.223 -0.831 0.000 2.309 275 L HA 0.734 5.074 4.340 0.000 0.000 0.261 275 L C -1.035 175.343 176.870 -0.819 0.000 1.021 275 L CA -0.662 53.672 54.840 -0.844 0.000 0.823 275 L CB 2.419 43.970 42.059 -0.845 0.000 1.366 275 L HN 0.717 nan 8.230 nan 0.000 0.423 276 Q N 0.258 119.771 119.800 -0.478 0.000 2.403 276 Q HA 0.485 4.825 4.340 0.000 0.000 0.267 276 Q C -1.774 174.148 176.000 -0.130 0.000 0.991 276 Q CA -0.295 55.359 55.803 -0.248 0.000 0.906 276 Q CB 1.980 30.601 28.738 -0.195 0.000 1.422 276 Q HN 0.490 nan 8.270 nan 0.000 0.400 277 S N 3.578 119.247 115.700 -0.051 0.000 2.293 277 S HA 0.329 4.799 4.470 0.000 0.000 0.154 277 S C -1.275 173.344 174.600 0.032 0.000 1.602 277 S CA -0.542 57.651 58.200 -0.012 0.000 1.260 277 S CB 0.283 63.485 63.200 0.002 0.000 1.270 277 S HN 0.456 nan 8.310 nan 0.000 0.416 278 K N 2.027 122.440 120.400 0.022 0.000 2.378 278 K HA 0.274 4.594 4.320 0.000 0.000 0.288 278 K C 0.587 177.217 176.600 0.051 0.000 1.057 278 K CA -0.130 56.179 56.287 0.037 0.000 0.971 278 K CB 0.814 33.332 32.500 0.030 0.000 0.975 278 K HN 0.565 nan 8.250 nan 0.000 0.475 279 G N 4.045 112.874 108.800 0.048 0.000 2.329 279 G HA2 0.134 4.094 3.960 0.000 0.000 0.309 279 G HA3 0.134 4.094 3.960 0.000 0.000 0.309 279 G C -0.218 174.690 174.900 0.013 0.000 1.110 279 G CA -0.587 44.546 45.100 0.054 0.000 0.923 279 G HN 0.325 nan 8.290 nan 0.000 0.430 280 K N 1.901 122.328 120.400 0.045 0.000 2.118 280 K HA 0.171 4.491 4.320 0.000 0.000 0.264 280 K C 0.552 177.169 176.600 0.028 0.000 1.000 280 K CA -1.101 55.205 56.287 0.031 0.000 0.929 280 K CB 0.729 33.260 32.500 0.051 0.000 1.021 280 K HN 0.508 nan 8.250 nan 0.000 0.463 281 N N 2.210 120.918 118.700 0.013 0.000 3.044 281 N HA -0.207 4.533 4.740 0.000 0.000 0.308 281 N C 0.549 176.084 175.510 0.042 0.000 1.097 281 N CA 0.245 53.305 53.050 0.017 0.000 0.828 281 N CB -0.305 38.190 38.487 0.013 0.000 0.968 281 N HN 0.462 nan 8.380 nan 0.000 0.623 282 L N 1.248 122.501 121.223 0.051 0.000 2.240 282 L HA 0.111 4.451 4.340 0.000 0.000 0.211 282 L C 1.635 178.587 176.870 0.136 0.000 1.106 282 L CA 0.652 55.553 54.840 0.101 0.000 0.793 282 L CB -0.691 41.427 42.059 0.098 0.000 0.927 282 L HN 0.705 nan 8.230 nan 0.000 0.446 283 G N 0.100 108.976 108.800 0.127 0.000 2.756 283 G HA2 -0.276 3.684 3.960 0.000 0.000 0.678 283 G HA3 -0.276 3.684 3.960 0.000 0.000 0.678 283 G C 0.235 175.242 174.900 0.179 0.000 1.349 283 G CA -0.083 45.087 45.100 0.118 0.000 0.847 283 G HN 0.370 nan 8.290 nan 0.000 0.548 284 R N -1.011 119.551 120.500 0.103 0.000 3.532 284 R HA -0.017 4.323 4.340 0.000 0.000 0.284 284 R C 1.212 177.449 176.300 -0.105 0.000 1.140 284 R CA 2.034 58.178 56.100 0.073 0.000 0.768 284 R CB -1.585 28.830 30.300 0.190 0.000 1.252 284 R HN 2.948 nan 8.270 nan 0.000 0.454 285 G N -1.129 107.592 108.800 -0.130 0.000 2.289 285 G HA2 -0.318 3.642 3.960 0.000 0.000 0.280 285 G HA3 -0.318 3.642 3.960 0.000 0.000 0.280 285 G C -0.232 174.376 174.900 -0.486 0.000 1.089 285 G CA 0.475 45.412 45.100 -0.273 0.000 0.939 285 G HN 0.509 nan 8.290 nan 0.000 0.499 286 Y N -1.000 119.298 120.300 -0.004 0.000 3.087 286 Y HA 0.218 4.768 4.550 0.000 0.000 0.227 286 Y C 1.496 177.315 175.900 -0.136 0.000 1.015 286 Y CA 0.526 58.586 58.100 -0.067 0.000 1.399 286 Y CB 0.114 38.527 38.460 -0.078 0.000 1.483 286 Y HN 0.356 nan 8.280 nan 0.000 0.420 287 D N 0.129 120.563 120.400 0.058 0.000 3.455 287 D HA -0.213 4.427 4.640 0.000 0.000 0.216 287 D C -1.079 175.168 176.300 -0.088 0.000 1.510 287 D CA 1.249 55.242 54.000 -0.012 0.000 1.128 287 D CB -1.034 39.759 40.800 -0.013 0.000 0.680 287 D HN 0.177 nan 8.370 nan 0.000 0.828 288 D N 2.428 122.786 120.400 -0.071 0.000 2.398 288 D HA 0.254 4.894 4.640 0.000 0.000 0.250 288 D C 0.149 176.367 176.300 -0.137 0.000 1.287 288 D CA 0.734 54.684 54.000 -0.082 0.000 0.992 288 D CB 0.159 40.939 40.800 -0.033 0.000 1.071 288 D HN 0.098 nan 8.370 nan 0.000 0.514 289 E N 1.238 121.276 120.200 -0.269 0.000 2.299 289 E HA 0.297 4.647 4.350 0.000 0.000 0.265 289 E C -0.719 175.795 176.600 -0.142 0.000 0.911 289 E CA -0.855 55.346 56.400 -0.333 0.000 0.789 289 E CB 1.569 30.686 29.700 -0.971 0.000 1.246 289 E HN 0.166 nan 8.360 nan 0.000 0.427 290 D N 1.302 121.721 120.400 0.032 0.000 2.277 290 D HA 0.209 4.849 4.640 0.000 0.000 0.249 290 D C 1.070 177.535 176.300 0.275 0.000 1.134 290 D CA -0.103 53.972 54.000 0.125 0.000 0.863 290 D CB 0.976 41.842 40.800 0.111 0.000 1.143 290 D HN 0.308 nan 8.370 nan 0.000 0.458 291 I N 1.314 122.021 120.570 0.229 0.000 2.584 291 I HA 0.001 4.171 4.170 0.000 0.000 0.255 291 I C 0.263 176.437 176.117 0.094 0.000 1.145 291 I CA 0.611 62.034 61.300 0.206 0.000 1.462 291 I CB 0.141 38.230 38.000 0.148 0.000 1.102 291 I HN 0.190 nan 8.210 nan 0.000 0.433 292 L N 0.183 121.457 121.223 0.085 0.000 2.612 292 L HA 0.473 4.813 4.340 0.000 0.000 0.256 292 L C -1.273 175.642 176.870 0.074 0.000 0.949 292 L CA -0.512 54.379 54.840 0.085 0.000 0.867 292 L CB 1.817 43.920 42.059 0.074 0.000 1.417 292 L HN -0.050 nan 8.230 nan 0.000 0.414 293 K N 3.645 124.128 120.400 0.138 0.000 2.592 293 K HA 0.551 4.872 4.320 0.000 0.000 0.265 293 K C -2.299 174.453 176.600 0.253 0.000 1.006 293 K CA -0.538 55.815 56.287 0.111 0.000 0.907 293 K CB 1.179 33.760 32.500 0.135 0.000 1.309 293 K HN 0.616 nan 8.250 nan 0.000 0.452 294 Y N -0.333 120.016 120.300 0.083 0.000 2.558 294 Y HA 0.562 5.112 4.550 0.000 0.000 0.333 294 Y C -1.578 174.459 175.900 0.228 0.000 1.125 294 Y CA -1.272 56.900 58.100 0.121 0.000 1.039 294 Y CB 0.947 39.426 38.460 0.031 0.000 1.331 294 Y HN 0.005 nan 8.280 nan 0.000 0.456 295 V N 2.480 122.606 119.914 0.354 0.000 2.567 295 V HA 0.373 4.493 4.120 0.000 0.000 0.289 295 V C -0.937 175.369 176.094 0.353 0.000 1.049 295 V CA -0.033 62.447 62.300 0.299 0.000 0.969 295 V CB 1.495 33.421 31.823 0.172 0.000 0.995 295 V HN 0.830 nan 8.190 nan 0.000 0.471 296 D N 3.004 123.611 120.400 0.344 0.000 2.620 296 D HA 0.597 5.237 4.640 0.000 0.000 0.252 296 D C -1.310 175.237 176.300 0.412 0.000 1.207 296 D CA -0.102 54.165 54.000 0.446 0.000 0.884 296 D CB 1.779 42.916 40.800 0.561 0.000 1.262 296 D HN 0.261 nan 8.370 nan 0.000 0.552 297 V N 3.151 123.229 119.914 0.273 0.000 2.623 297 V HA 0.974 5.094 4.120 0.000 0.000 0.304 297 V C 0.699 176.653 176.094 -0.232 0.000 1.054 297 V CA -0.229 62.041 62.300 -0.049 0.000 0.882 297 V CB 1.332 33.106 31.823 -0.082 0.000 1.002 297 V HN 0.703 nan 8.190 nan 0.000 0.424 298 G N 2.588 110.744 108.800 -1.073 0.000 2.726 298 G HA2 0.939 4.899 3.960 0.000 0.000 0.198 298 G HA3 0.939 4.899 3.960 0.000 0.000 0.198 298 G C -1.135 173.312 174.900 -0.754 0.000 1.195 298 G CA 0.078 44.796 45.100 -0.636 0.000 0.951 298 G HN 1.568 nan 8.290 nan 0.000 0.532 299 A N -0.934 121.815 122.820 -0.120 0.000 2.560 299 A HA 0.657 4.977 4.320 0.000 0.000 0.300 299 A C -0.676 177.108 177.584 0.334 0.000 1.062 299 A CA -0.117 52.015 52.037 0.158 0.000 0.767 299 A CB 0.729 19.793 19.000 0.106 0.000 1.288 299 A HN 1.118 nan 8.150 nan 0.000 0.396 300 T N 1.901 116.627 114.554 0.288 0.000 2.845 300 T HA 0.515 4.865 4.350 0.000 0.000 0.288 300 T C -0.639 174.001 174.700 -0.100 0.000 0.980 300 T CA 0.152 62.275 62.100 0.038 0.000 1.071 300 T CB 0.644 69.344 68.868 -0.281 0.000 0.941 300 T HN 0.608 nan 8.240 nan 0.000 0.487 301 Y N 2.576 122.730 120.300 -0.244 0.000 2.341 301 Y HA 0.480 5.030 4.550 -0.000 0.000 0.337 301 Y C -1.433 174.197 175.900 -0.451 0.000 1.014 301 Y CA -1.456 56.474 58.100 -0.282 0.000 1.111 301 Y CB 0.837 39.153 38.460 -0.240 0.000 1.194 301 Y HN 0.604 nan 8.280 nan 0.000 0.462 302 Y N 7.436 127.272 120.300 -0.774 0.000 2.478 302 Y HA 0.251 4.801 4.550 0.000 0.000 0.329 302 Y C 0.208 175.712 175.900 -0.660 0.000 0.967 302 Y CA -0.839 56.980 58.100 -0.468 0.000 1.255 302 Y CB 0.238 38.527 38.460 -0.285 0.000 1.103 302 Y HN 0.687 nan 8.280 nan 0.000 0.497 303 F N 1.266 121.182 119.950 -0.057 0.000 2.069 303 F HA -0.228 4.299 4.527 0.000 0.000 0.298 303 F C 0.895 176.731 175.800 0.059 0.000 1.113 303 F CA 1.529 59.594 58.000 0.109 0.000 1.214 303 F CB -0.188 38.944 39.000 0.220 0.000 0.978 303 F HN 0.569 nan 8.300 nan 0.000 0.474 304 N N -2.610 116.261 118.700 0.285 0.000 3.517 304 N HA 0.170 4.910 4.740 0.000 0.000 0.329 304 N C -0.451 175.129 175.510 0.117 0.000 1.569 304 N CA -0.860 52.278 53.050 0.146 0.000 0.852 304 N CB 0.398 38.965 38.487 0.133 0.000 1.955 304 N HN -0.240 nan 8.380 nan 0.000 0.555 305 K N -0.843 119.581 120.400 0.040 0.000 2.525 305 K HA 0.197 4.517 4.320 0.000 0.000 0.192 305 K C 0.155 176.754 176.600 -0.002 0.000 1.029 305 K CA 0.842 57.127 56.287 -0.003 0.000 1.029 305 K CB -0.362 32.112 32.500 -0.043 0.000 0.814 305 K HN 0.396 nan 8.250 nan 0.000 0.503 306 N N -0.778 117.931 118.700 0.016 0.000 2.460 306 N HA 0.073 4.813 4.740 0.000 0.000 0.193 306 N C -0.309 175.153 175.510 -0.080 0.000 1.080 306 N CA -0.012 52.983 53.050 -0.092 0.000 0.869 306 N CB 0.444 38.891 38.487 -0.068 0.000 1.201 306 N HN -0.041 nan 8.380 nan 0.000 0.457 307 M N 0.776 120.438 119.600 0.104 0.000 2.456 307 M HA 0.494 4.974 4.480 0.000 0.000 0.324 307 M C -1.300 175.231 176.300 0.385 0.000 1.124 307 M CA -0.782 54.622 55.300 0.174 0.000 0.959 307 M CB 1.670 34.307 32.600 0.060 0.000 1.692 307 M HN 0.088 nan 8.290 nan 0.000 0.444 308 S N 1.692 117.630 115.700 0.397 0.000 2.596 308 S HA 0.898 5.368 4.470 0.000 0.000 0.270 308 S C -0.949 173.920 174.600 0.448 0.000 1.155 308 S CA -0.712 57.758 58.200 0.450 0.000 0.827 308 S CB 1.934 65.264 63.200 0.218 0.000 1.130 308 S HN 0.836 nan 8.310 nan 0.000 0.467 309 T N 1.019 115.814 114.554 0.401 0.000 2.894 309 T HA 0.750 5.100 4.350 0.000 0.000 0.309 309 T C -2.194 172.657 174.700 0.251 0.000 1.208 309 T CA -0.553 61.725 62.100 0.296 0.000 1.016 309 T CB 1.203 70.299 68.868 0.381 0.000 1.192 309 T HN 1.321 nan 8.240 nan 0.000 0.491 310 Y N 0.151 120.524 120.300 0.121 0.000 2.624 310 Y HA 0.806 5.356 4.550 0.000 0.000 0.334 310 Y C -2.001 173.993 175.900 0.157 0.000 1.155 310 Y CA -1.195 56.979 58.100 0.124 0.000 1.046 310 Y CB 0.564 39.089 38.460 0.108 0.000 1.316 310 Y HN 0.419 nan 8.280 nan 0.000 0.457 311 V N 2.226 122.380 119.914 0.400 0.000 2.628 311 V HA 0.541 4.661 4.120 0.000 0.000 0.306 311 V C -1.351 175.068 176.094 0.543 0.000 1.045 311 V CA -0.395 62.122 62.300 0.361 0.000 0.905 311 V CB 1.759 33.727 31.823 0.242 0.000 0.997 311 V HN 0.826 nan 8.190 nan 0.000 0.436 312 D N 2.383 123.106 120.400 0.540 0.000 2.736 312 D HA 0.262 4.902 4.640 0.000 0.000 0.243 312 D C -1.800 174.855 176.300 0.592 0.000 1.304 312 D CA -0.320 54.075 54.000 0.658 0.000 0.934 312 D CB 1.400 42.549 40.800 0.581 0.000 1.382 312 D HN 0.386 nan 8.370 nan 0.000 0.571 313 Y N 3.349 123.883 120.300 0.390 0.000 2.478 313 Y HA 0.294 4.844 4.550 0.000 0.000 0.329 313 Y C -0.115 175.864 175.900 0.132 0.000 0.967 313 Y CA -0.913 57.315 58.100 0.213 0.000 1.255 313 Y CB 0.821 39.359 38.460 0.131 0.000 1.103 313 Y HN 0.205 nan 8.280 nan 0.000 0.497 314 K N 7.080 127.507 120.400 0.045 0.000 2.310 314 K HA 0.322 4.642 4.320 0.000 0.000 0.290 314 K C -0.877 175.761 176.600 0.064 0.000 1.077 314 K CA -0.116 56.057 56.287 -0.189 0.000 0.922 314 K CB 0.109 31.991 32.500 -1.029 0.000 1.057 314 K HN 0.739 nan 8.250 nan 0.000 0.479 315 I N 4.664 125.375 120.570 0.234 0.000 2.276 315 I HA 0.035 4.205 4.170 0.000 0.000 0.290 315 I C 0.032 176.252 176.117 0.171 0.000 1.109 315 I CA -0.688 60.743 61.300 0.218 0.000 1.229 315 I CB 0.383 38.483 38.000 0.167 0.000 1.452 315 I HN 0.531 nan 8.210 nan 0.000 0.497 316 N N 6.305 125.050 118.700 0.075 0.000 2.405 316 N HA 0.142 4.882 4.740 0.000 0.000 0.260 316 N C 0.680 176.253 175.510 0.106 0.000 1.152 316 N CA 0.125 53.219 53.050 0.073 0.000 0.948 316 N CB 0.947 39.409 38.487 -0.042 0.000 1.111 316 N HN 0.547 nan 8.380 nan 0.000 0.485 317 L N 2.970 124.287 121.223 0.156 0.000 2.599 317 L HA 0.133 4.473 4.340 0.000 0.000 0.230 317 L C 0.607 177.541 176.870 0.107 0.000 1.141 317 L CA 0.055 54.972 54.840 0.128 0.000 0.877 317 L CB -0.139 42.013 42.059 0.155 0.000 1.009 317 L HN 0.369 nan 8.230 nan 0.000 0.447 318 L N 0.754 122.038 121.223 0.102 0.000 2.453 318 L HA 0.025 4.365 4.340 0.000 0.000 0.272 318 L C -0.108 176.803 176.870 0.068 0.000 1.182 318 L CA -0.016 54.876 54.840 0.087 0.000 0.858 318 L CB 0.254 42.357 42.059 0.074 0.000 1.120 318 L HN 0.031 nan 8.230 nan 0.000 0.474 319 D N 1.290 121.734 120.400 0.073 0.000 2.283 319 D HA 0.143 4.783 4.640 0.000 0.000 0.248 319 D C -0.497 175.839 176.300 0.060 0.000 1.072 319 D CA -0.289 53.749 54.000 0.062 0.000 0.929 319 D CB 0.978 41.816 40.800 0.064 0.000 1.182 319 D HN 0.381 nan 8.370 nan 0.000 0.433 320 D N -0.008 120.421 120.400 0.048 0.000 2.317 320 D HA 0.350 4.990 4.640 0.000 0.000 0.252 320 D C -0.623 175.711 176.300 0.057 0.000 1.174 320 D CA -0.168 53.857 54.000 0.042 0.000 0.866 320 D CB 0.130 40.947 40.800 0.028 0.000 1.127 320 D HN 0.465 nan 8.370 nan 0.000 0.467 321 N N 0.456 119.200 118.700 0.073 0.000 3.106 321 N HA 0.206 4.946 4.740 0.000 0.000 0.253 321 N C 0.427 176.009 175.510 0.120 0.000 1.506 321 N CA -0.957 52.152 53.050 0.098 0.000 0.876 321 N CB 0.901 39.462 38.487 0.123 0.000 1.452 321 N HN 0.044 nan 8.380 nan 0.000 0.542 322 R N -0.732 119.860 120.500 0.152 0.000 2.096 322 R HA -0.143 4.197 4.340 0.000 0.000 0.240 322 R C 1.342 177.801 176.300 0.263 0.000 1.139 322 R CA 1.765 57.976 56.100 0.185 0.000 0.952 322 R CB -0.614 29.801 30.300 0.193 0.000 0.854 322 R HN 0.650 nan 8.270 nan 0.000 0.436 323 F N 1.473 121.531 119.950 0.180 0.000 2.126 323 F HA -0.182 4.345 4.527 0.000 0.000 0.299 323 F C 2.244 178.023 175.800 -0.035 0.000 1.096 323 F CA 2.095 60.134 58.000 0.065 0.000 1.255 323 F CB -0.545 38.486 39.000 0.052 0.000 0.997 323 F HN 0.113 nan 8.300 nan 0.000 0.479 324 T N -2.310 112.221 114.554 -0.038 0.000 3.194 324 T HA 0.161 4.511 4.350 0.000 0.000 0.251 324 T C 1.748 176.381 174.700 -0.112 0.000 1.132 324 T CA 0.221 62.235 62.100 -0.144 0.000 1.028 324 T CB -0.162 68.703 68.868 -0.006 0.000 0.976 324 T HN 0.346 nan 8.240 nan 0.000 0.535 325 R N -0.039 120.418 120.500 -0.072 0.000 2.197 325 R HA 0.190 4.530 4.340 0.000 0.000 0.188 325 R C 1.641 177.906 176.300 -0.058 0.000 1.015 325 R CA 0.466 56.539 56.100 -0.046 0.000 1.132 325 R CB 0.038 30.341 30.300 0.005 0.000 1.134 325 R HN 0.223 nan 8.270 nan 0.000 0.560 326 D N 1.479 121.867 120.400 -0.020 0.000 2.116 326 D HA -0.156 4.484 4.640 0.000 0.000 0.193 326 D C 1.662 177.897 176.300 -0.107 0.000 0.998 326 D CA 1.794 55.792 54.000 -0.003 0.000 0.836 326 D CB -0.162 40.721 40.800 0.139 0.000 0.951 326 D HN 0.262 nan 8.370 nan 0.000 0.449 327 A N -0.274 122.388 122.820 -0.263 0.000 1.968 327 A HA 0.267 4.587 4.320 0.000 0.000 0.217 327 A C 1.765 179.193 177.584 -0.262 0.000 1.169 327 A CA 1.564 53.389 52.037 -0.354 0.000 0.638 327 A CB -0.468 18.134 19.000 -0.663 0.000 0.812 327 A HN 0.355 nan 8.150 nan 0.000 0.446 328 G N -0.825 107.847 108.800 -0.213 0.000 2.248 328 G HA2 -0.185 3.775 3.960 0.000 0.000 0.263 328 G HA3 -0.185 3.775 3.960 0.000 0.000 0.263 328 G C -0.127 174.671 174.900 -0.169 0.000 1.082 328 G CA 0.168 45.175 45.100 -0.155 0.000 0.863 328 G HN 0.496 nan 8.290 nan 0.000 0.495 329 I N 0.603 121.057 120.570 -0.193 0.000 2.297 329 I HA 0.126 4.296 4.170 0.000 0.000 0.291 329 I C 0.778 176.828 176.117 -0.112 0.000 1.033 329 I CA -0.987 60.211 61.300 -0.170 0.000 1.253 329 I CB 0.952 38.827 38.000 -0.209 0.000 1.396 329 I HN 0.192 nan 8.210 nan 0.000 0.476 330 N N 4.591 123.233 118.700 -0.098 0.000 2.332 330 N HA -0.114 4.626 4.740 0.000 0.000 0.274 330 N C 1.128 176.596 175.510 -0.069 0.000 1.351 330 N CA 0.514 53.517 53.050 -0.079 0.000 0.875 330 N CB 0.631 39.067 38.487 -0.085 0.000 1.140 330 N HN 0.712 nan 8.380 nan 0.000 0.489 331 T N -1.122 113.404 114.554 -0.047 0.000 3.086 331 T HA 0.134 4.484 4.350 0.000 0.000 0.250 331 T C 0.129 174.813 174.700 -0.026 0.000 1.074 331 T CA -0.227 61.859 62.100 -0.024 0.000 0.988 331 T CB 0.037 68.904 68.868 -0.003 0.000 0.988 331 T HN 0.318 nan 8.240 nan 0.000 0.530 332 D N 2.051 122.424 120.400 -0.046 0.000 2.340 332 D HA 0.349 4.989 4.640 0.000 0.000 0.251 332 D C -0.574 175.675 176.300 -0.086 0.000 1.080 332 D CA -0.417 53.557 54.000 -0.044 0.000 0.971 332 D CB 1.030 41.809 40.800 -0.035 0.000 1.137 332 D HN 0.189 nan 8.370 nan 0.000 0.475 333 D N -0.069 120.289 120.400 -0.070 0.000 2.344 333 D HA 0.417 5.057 4.640 0.000 0.000 0.244 333 D C -0.038 176.148 176.300 -0.190 0.000 1.134 333 D CA 0.081 54.011 54.000 -0.116 0.000 0.930 333 D CB 0.960 41.738 40.800 -0.037 0.000 1.175 333 D HN 0.194 nan 8.370 nan 0.000 0.437 334 I N 0.127 120.500 120.570 -0.328 0.000 2.686 334 I HA 0.362 4.532 4.170 0.000 0.000 0.295 334 I C -0.998 174.914 176.117 -0.342 0.000 1.114 334 I CA -1.066 60.029 61.300 -0.342 0.000 1.038 334 I CB 2.276 39.983 38.000 -0.488 0.000 1.238 334 I HN -0.088 nan 8.210 nan 0.000 0.420 335 V N 4.026 123.840 119.914 -0.167 0.000 2.531 335 V HA 0.708 4.828 4.120 0.000 0.000 0.301 335 V C -0.090 176.066 176.094 0.104 0.000 1.034 335 V CA -0.416 61.858 62.300 -0.044 0.000 0.865 335 V CB 1.835 33.564 31.823 -0.156 0.000 0.995 335 V HN 0.852 nan 8.190 nan 0.000 0.424 336 A N 5.191 128.116 122.820 0.176 0.000 2.305 336 A HA 0.858 5.178 4.320 0.000 0.000 0.322 336 A C -1.026 176.641 177.584 0.137 0.000 1.187 336 A CA -0.464 51.628 52.037 0.092 0.000 0.825 336 A CB 1.113 20.096 19.000 -0.030 0.000 1.164 336 A HN 0.826 nan 8.150 nan 0.000 0.498 337 L N 3.116 124.367 121.223 0.047 0.000 2.324 337 L HA 0.663 5.003 4.340 0.000 0.000 0.274 337 L C 0.348 177.068 176.870 -0.251 0.000 1.012 337 L CA 0.122 54.938 54.840 -0.039 0.000 0.859 337 L CB 1.034 43.166 42.059 0.122 0.000 1.224 337 L HN 0.721 nan 8.230 nan 0.000 0.429 338 G N 4.107 112.449 108.800 -0.763 0.000 2.389 338 G HA2 0.577 4.537 3.960 0.000 0.000 0.328 338 G HA3 0.577 4.537 3.960 0.000 0.000 0.328 338 G C -1.756 172.877 174.900 -0.445 0.000 1.133 338 G CA -0.456 44.130 45.100 -0.857 0.000 0.891 338 G HN 0.539 nan 8.290 nan 0.000 0.485 339 L N 2.393 123.518 121.223 -0.162 0.000 2.491 339 L HA 0.634 4.974 4.340 0.000 0.000 0.267 339 L C -1.119 175.771 176.870 0.033 0.000 0.971 339 L CA -0.785 54.050 54.840 -0.007 0.000 0.857 339 L CB 2.061 44.123 42.059 0.006 0.000 1.226 339 L HN 0.329 nan 8.230 nan 0.000 0.408 340 V N 5.240 125.215 119.914 0.102 0.000 2.447 340 V HA 0.353 4.473 4.120 0.000 0.000 0.292 340 V C -0.785 175.391 176.094 0.136 0.000 1.021 340 V CA -0.705 61.656 62.300 0.102 0.000 0.850 340 V CB 1.190 33.088 31.823 0.124 0.000 1.005 340 V HN 0.691 nan 8.190 nan 0.000 0.426 341 Y N 5.241 125.556 120.300 0.024 0.000 2.301 341 Y HA 0.674 5.224 4.550 0.000 0.000 0.325 341 Y C 0.236 176.185 175.900 0.082 0.000 1.203 341 Y CA 0.053 58.183 58.100 0.050 0.000 1.255 341 Y CB 1.160 39.639 38.460 0.032 0.000 1.232 341 Y HN 0.789 nan 8.280 nan 0.000 0.501 342 Q N 5.011 124.327 119.800 -0.807 0.000 2.648 342 Q HA 0.564 4.904 4.340 0.000 0.000 0.300 342 Q C -1.989 173.693 176.000 -0.530 0.000 0.954 342 Q CA -0.910 54.606 55.803 -0.478 0.000 0.757 342 Q CB 2.817 31.417 28.738 -0.230 0.000 1.482 342 Q HN 0.750 nan 8.270 nan 0.000 0.437 343 F N 0.000 119.790 119.950 -0.267 0.000 2.286 343 F HA 0.000 4.527 4.527 0.000 0.000 0.279 343 F CA 0.000 57.932 58.000 -0.112 0.000 1.383 343 F CB 0.000 39.017 39.000 0.028 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574