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 3igy_1_B DATA FIRST_RESID 4 DATA SEQUENCE LLLKPHKDLP RRTVLIVVMD GLGIGPEDDY DAVHMASTPF MDAHRRDNRH DATA SEQUENCE FRCVRAHGTA VGLPTDADMG NSEVGHNALG AGRVALQGAS LVDDAIKSGE DATA SEQUENCE IYTGEGYRYL HGAFSKEGST LHLIGLLSDG GVHSRDNQIY SIIEHAVKDG DATA SEQUENCE AKRIRVHALY DGRDVPDGSS FRFTDELEAV LAKVRQNGCD AAIASGGGRM DATA SEQUENCE FVTMDRYDAD WSIVERGWRA QVLGDARHFH SAKEAITTFR EEDPKVTDQY DATA SEQUENCE YPPFIVVDEQ DKPLGTIEDG DAVLCVNFRG DRVIEMTRAF EDEDFNKFDR DATA SEQUENCE VRVPKVRYAG MMRYDGDLGI PNNFLVPPPK LTRVSEEYLC GSGLNIFACS DATA SEQUENCE ETQKFGHVTY FWNGNRSGKI DEKHETFKEV PSDRVQFNEK PRMQSAAITE DATA SEQUENCE AAIEALKSGM YNVVRINFPN GDMVGHTGDL KATITGVEAV DESLAKLKDA DATA SEQUENCE VDSVNGVYIV TADHGNSDDM AQRDKKGKPM KDGNGNVLPL TSHTLSPVPV DATA SEQUENCE FIGGAGLDPR VAMRTDLPAA GLANVTATFI NLLGFEAPED YEPSLIYVE 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.819 176.870 -0.084 0.000 1.165 4 L CA 0.000 54.705 54.840 -0.224 0.000 0.813 4 L CB 0.000 41.997 42.059 -0.103 0.000 0.961 5 L N 1.135 122.389 121.223 0.052 0.000 2.381 5 L HA 0.746 5.006 4.340 -0.133 0.000 0.268 5 L C -1.589 175.337 176.870 0.094 0.000 0.997 5 L CA -0.262 54.608 54.840 0.050 0.000 0.818 5 L CB 1.753 43.827 42.059 0.024 0.000 1.310 5 L HN 0.495 nan 8.230 nan 0.000 0.416 6 L N 4.230 125.453 121.223 -0.001 0.000 2.325 6 L HA 0.535 4.795 4.340 -0.133 0.000 0.279 6 L C -0.094 176.869 176.870 0.155 0.000 1.054 6 L CA -0.929 53.902 54.840 -0.015 0.000 0.804 6 L CB 1.068 42.981 42.059 -0.243 0.000 1.200 6 L HN 0.490 nan 8.230 nan 0.000 0.436 7 K N 2.404 122.904 120.400 0.167 0.000 2.205 7 K HA 0.382 4.622 4.320 -0.133 0.000 0.279 7 K C -2.394 174.363 176.600 0.261 0.000 1.027 7 K CA -2.005 54.389 56.287 0.178 0.000 0.932 7 K CB 0.863 33.404 32.500 0.068 0.000 1.032 7 K HN 0.174 nan 8.250 nan 0.000 0.466 8 P HA -0.075 nan 4.420 nan 0.000 0.265 8 P C -0.070 177.226 177.300 -0.006 0.000 1.187 8 P CA 0.281 63.362 63.100 -0.031 0.000 0.766 8 P CB 0.292 31.955 31.700 -0.061 0.000 0.820 9 H N 3.061 122.055 119.070 -0.126 0.000 2.790 9 H HA -0.013 4.463 4.556 -0.133 0.000 0.358 9 H C 1.376 176.670 175.328 -0.058 0.000 1.103 9 H CA 0.589 56.596 56.048 -0.068 0.000 1.426 9 H CB 0.872 30.586 29.762 -0.080 0.000 1.424 9 H HN 0.415 nan 8.280 nan 0.000 0.599 10 K N 2.494 122.610 120.400 -0.474 0.000 2.097 10 K HA -0.140 4.100 4.320 -0.133 0.000 0.206 10 K C 0.388 176.983 176.600 -0.008 0.000 1.049 10 K CA 2.078 58.240 56.287 -0.208 0.000 0.933 10 K CB 0.309 32.657 32.500 -0.252 0.000 0.717 10 K HN 0.616 nan 8.250 nan 0.000 0.442 11 D N -0.615 119.918 120.400 0.223 0.000 2.482 11 D HA 0.100 4.661 4.640 -0.133 0.000 0.251 11 D C 0.147 176.536 176.300 0.148 0.000 1.073 11 D CA 0.081 54.194 54.000 0.189 0.000 0.892 11 D CB 0.488 41.392 40.800 0.173 0.000 1.202 11 D HN 0.109 nan 8.370 nan 0.000 0.496 12 L N 3.798 125.142 121.223 0.203 0.000 2.305 12 L HA 0.311 4.571 4.340 -0.133 0.000 0.281 12 L C -2.093 174.732 176.870 -0.074 0.000 1.085 12 L CA -1.565 53.225 54.840 -0.083 0.000 0.813 12 L CB 1.175 42.998 42.059 -0.395 0.000 1.157 12 L HN -0.173 nan 8.230 nan 0.000 0.436 13 P HA 0.172 nan 4.420 nan 0.000 0.276 13 P C -0.922 176.310 177.300 -0.113 0.000 1.252 13 P CA -0.762 62.288 63.100 -0.083 0.000 0.802 13 P CB 0.638 32.307 31.700 -0.052 0.000 1.035 14 R N 2.228 122.654 120.500 -0.125 0.000 2.484 14 R HA 0.216 4.476 4.340 -0.133 0.000 0.293 14 R C 0.596 176.880 176.300 -0.026 0.000 1.023 14 R CA 0.333 56.372 56.100 -0.102 0.000 1.037 14 R CB -0.234 30.017 30.300 -0.081 0.000 0.951 14 R HN 0.496 nan 8.270 nan 0.000 0.418 15 R N 1.031 121.538 120.500 0.012 0.000 2.698 15 R HA 0.307 4.567 4.340 -0.133 0.000 0.275 15 R C -0.593 175.754 176.300 0.078 0.000 1.001 15 R CA -0.762 55.359 56.100 0.034 0.000 0.896 15 R CB 1.908 32.217 30.300 0.014 0.000 1.218 15 R HN 0.412 nan 8.270 nan 0.000 0.462 16 T N 1.472 116.072 114.554 0.077 0.000 2.851 16 T HA 0.300 4.570 4.350 -0.133 0.000 0.298 16 T C -0.032 174.724 174.700 0.094 0.000 0.977 16 T CA -0.114 62.044 62.100 0.098 0.000 1.126 16 T CB 0.642 69.564 68.868 0.090 0.000 0.916 16 T HN 0.122 nan 8.240 nan 0.000 0.529 17 V N 5.077 125.054 119.914 0.106 0.000 2.444 17 V HA 0.375 4.415 4.120 -0.133 0.000 0.294 17 V C -0.221 175.915 176.094 0.069 0.000 1.022 17 V CA -0.979 61.380 62.300 0.098 0.000 0.850 17 V CB 1.611 33.510 31.823 0.126 0.000 0.992 17 V HN 0.691 nan 8.190 nan 0.000 0.426 18 L N 7.101 128.376 121.223 0.087 0.000 2.313 18 L HA 0.550 4.811 4.340 -0.133 0.000 0.282 18 L C -0.421 176.479 176.870 0.051 0.000 1.092 18 L CA 0.590 55.465 54.840 0.058 0.000 0.831 18 L CB 0.464 42.575 42.059 0.088 0.000 1.159 18 L HN 0.534 nan 8.230 nan 0.000 0.442 19 I N 6.141 126.678 120.570 -0.055 0.000 2.355 19 I HA 0.352 4.442 4.170 -0.133 0.000 0.288 19 I C -0.763 175.300 176.117 -0.091 0.000 0.999 19 I CA -0.719 60.532 61.300 -0.082 0.000 1.163 19 I CB 1.594 39.426 38.000 -0.280 0.000 1.316 19 I HN 0.261 nan 8.210 nan 0.000 0.454 20 V N 7.277 127.197 119.914 0.010 0.000 2.417 20 V HA 0.343 4.383 4.120 -0.133 0.000 0.291 20 V C 0.013 176.143 176.094 0.060 0.000 1.024 20 V CA -0.727 61.573 62.300 0.001 0.000 0.861 20 V CB 1.971 33.841 31.823 0.077 0.000 0.985 20 V HN 0.378 nan 8.190 nan 0.000 0.436 21 V N 6.406 126.332 119.914 0.020 0.000 2.333 21 V HA 0.371 4.412 4.120 -0.133 0.000 0.274 21 V C 0.232 176.395 176.094 0.116 0.000 1.028 21 V CA -0.340 62.007 62.300 0.080 0.000 0.851 21 V CB 1.303 33.181 31.823 0.092 0.000 1.000 21 V HN 0.846 nan 8.190 nan 0.000 0.456 22 M N 4.156 123.841 119.600 0.141 0.000 2.497 22 M HA 0.260 4.661 4.480 -0.133 0.000 0.336 22 M C 0.138 176.478 176.300 0.066 0.000 1.378 22 M CA -0.095 55.299 55.300 0.156 0.000 1.375 22 M CB 0.025 32.719 32.600 0.155 0.000 1.337 22 M HN 0.539 nan 8.290 nan 0.000 0.461 23 D N 2.819 123.269 120.400 0.083 0.000 2.487 23 D HA 0.029 4.589 4.640 -0.133 0.000 0.243 23 D C 1.009 177.243 176.300 -0.109 0.000 1.154 23 D CA 1.266 55.276 54.000 0.017 0.000 0.876 23 D CB 0.816 41.710 40.800 0.157 0.000 1.161 23 D HN 0.975 nan 8.370 nan 0.000 0.478 24 G N 3.693 112.221 108.800 -0.454 0.000 2.323 24 G HA2 -0.254 3.626 3.960 -0.133 0.000 0.292 24 G HA3 -0.254 3.626 3.960 -0.133 0.000 0.292 24 G C 0.168 174.999 174.900 -0.116 0.000 1.040 24 G CA 0.315 45.183 45.100 -0.386 0.000 0.942 24 G HN 0.533 nan 8.290 nan 0.000 0.506 25 L N 0.727 121.900 121.223 -0.083 0.000 2.462 25 L HA 0.651 4.911 4.340 -0.133 0.000 0.255 25 L C 0.825 177.727 176.870 0.053 0.000 1.076 25 L CA -0.071 54.780 54.840 0.019 0.000 0.920 25 L CB 0.408 42.499 42.059 0.053 0.000 1.214 25 L HN 0.281 nan 8.230 nan 0.000 0.472 26 G N 3.305 112.138 108.800 0.056 0.000 2.828 26 G HA2 0.515 4.396 3.960 -0.133 0.000 0.244 26 G HA3 0.515 4.396 3.960 -0.133 0.000 0.244 26 G C -0.592 174.373 174.900 0.109 0.000 1.365 26 G CA -0.627 44.520 45.100 0.078 0.000 1.041 26 G HN 0.201 nan 8.290 nan 0.000 0.560 27 I N 1.884 122.518 120.570 0.107 0.000 2.330 27 I HA 0.374 4.465 4.170 -0.133 0.000 0.286 27 I C 0.926 177.094 176.117 0.085 0.000 1.025 27 I CA -0.370 61.001 61.300 0.117 0.000 1.197 27 I CB 0.157 38.244 38.000 0.144 0.000 1.358 27 I HN 0.528 nan 8.210 nan 0.000 0.467 28 G N 7.440 116.289 108.800 0.081 0.000 2.782 28 G HA2 0.476 4.356 3.960 -0.133 0.000 0.201 28 G HA3 0.476 4.356 3.960 -0.133 0.000 0.201 28 G C -1.857 173.065 174.900 0.037 0.000 1.374 28 G CA -0.518 44.618 45.100 0.060 0.000 1.039 28 G HN 0.375 nan 8.290 nan 0.000 0.576 29 P HA 0.089 nan 4.420 nan 0.000 0.233 29 P C -0.248 177.010 177.300 -0.070 0.000 1.167 29 P CA 0.426 63.525 63.100 -0.003 0.000 0.770 29 P CB 0.110 31.821 31.700 0.019 0.000 0.837 30 E N -0.014 120.126 120.200 -0.100 0.000 2.297 30 E HA -0.188 4.082 4.350 -0.133 0.000 0.228 30 E C -0.101 176.132 176.600 -0.611 0.000 1.213 30 E CA 0.622 56.792 56.400 -0.383 0.000 0.712 30 E CB -1.603 27.893 29.700 -0.340 0.000 1.202 30 E HN 0.540 nan 8.360 nan 0.000 0.376 31 D N -1.330 118.928 120.400 -0.237 0.000 2.666 31 D HA 0.200 4.760 4.640 -0.133 0.000 0.252 31 D C 0.488 176.791 176.300 0.005 0.000 1.143 31 D CA -0.552 53.378 54.000 -0.117 0.000 1.096 31 D CB 0.004 40.792 40.800 -0.019 0.000 1.260 31 D HN -0.190 nan 8.370 nan 0.000 0.633 32 D N -1.687 118.673 120.400 -0.067 0.000 2.309 32 D HA -0.113 4.448 4.640 -0.133 0.000 0.212 32 D C 0.260 176.268 176.300 -0.488 0.000 0.968 32 D CA 1.200 55.037 54.000 -0.272 0.000 0.882 32 D CB -0.318 40.221 40.800 -0.435 0.000 0.918 32 D HN 0.322 nan 8.370 nan 0.000 0.503 33 Y N -0.305 120.034 120.300 0.066 0.000 2.636 33 Y HA 0.191 4.661 4.550 -0.133 0.000 0.260 33 Y C 0.228 176.169 175.900 0.068 0.000 1.177 33 Y CA -0.685 57.452 58.100 0.060 0.000 1.209 33 Y CB 0.442 38.929 38.460 0.046 0.000 1.166 33 Y HN -0.186 nan 8.280 nan 0.000 0.531 34 D N 0.843 121.340 120.400 0.161 0.000 2.428 34 D HA 0.320 4.880 4.640 -0.133 0.000 0.221 34 D C 1.026 177.413 176.300 0.146 0.000 1.123 34 D CA 0.076 54.165 54.000 0.148 0.000 0.869 34 D CB 1.545 42.421 40.800 0.126 0.000 1.032 34 D HN 0.251 nan 8.370 nan 0.000 0.506 35 A N 3.461 126.352 122.820 0.118 0.000 2.015 35 A HA -0.083 4.158 4.320 -0.133 0.000 0.219 35 A C 2.132 179.759 177.584 0.071 0.000 1.163 35 A CA 0.975 53.063 52.037 0.085 0.000 0.646 35 A CB -0.177 18.871 19.000 0.078 0.000 0.806 35 A HN 0.498 nan 8.150 nan 0.000 0.448 36 V N -0.553 119.417 119.914 0.094 0.000 2.307 36 V HA -0.270 3.770 4.120 -0.133 0.000 0.245 36 V C 2.454 178.605 176.094 0.095 0.000 1.045 36 V CA 2.434 64.788 62.300 0.090 0.000 1.024 36 V CB -1.034 30.855 31.823 0.111 0.000 0.651 36 V HN 0.859 nan 8.190 nan 0.000 0.449 37 H N -0.188 118.904 119.070 0.038 0.000 2.290 37 H HA -0.186 4.290 4.556 -0.133 0.000 0.298 37 H C 2.217 177.550 175.328 0.008 0.000 1.087 37 H CA 2.252 58.315 56.048 0.025 0.000 1.291 37 H CB -0.155 29.622 29.762 0.024 0.000 1.369 37 H HN 0.136 nan 8.280 nan 0.000 0.492 38 M N 0.865 120.417 119.600 -0.081 0.000 2.159 38 M HA 0.028 4.429 4.480 -0.133 0.000 0.263 38 M C 1.343 177.562 176.300 -0.134 0.000 1.063 38 M CA 0.984 56.194 55.300 -0.151 0.000 1.110 38 M CB -1.346 31.233 32.600 -0.034 0.000 1.374 38 M HN 0.375 nan 8.290 nan 0.000 0.411 39 A N 0.689 123.465 122.820 -0.072 0.000 2.520 39 A HA 0.120 4.360 4.320 -0.133 0.000 0.235 39 A C 0.586 178.126 177.584 -0.073 0.000 1.065 39 A CA 0.112 52.116 52.037 -0.055 0.000 0.764 39 A CB -0.034 18.951 19.000 -0.026 0.000 1.002 39 A HN 0.349 nan 8.150 nan 0.000 0.502 40 S N 1.004 116.668 115.700 -0.059 0.000 2.429 40 S HA 0.364 4.754 4.470 -0.133 0.000 0.292 40 S C 0.538 175.113 174.600 -0.040 0.000 1.183 40 S CA 0.242 58.410 58.200 -0.054 0.000 1.088 40 S CB -0.755 62.418 63.200 -0.045 0.000 1.018 40 S HN 1.141 nan 8.310 nan 0.000 0.511 41 T N 3.862 118.396 114.554 -0.033 0.000 3.504 41 T HA 0.381 4.652 4.350 -0.133 0.000 0.286 41 T C -1.928 172.777 174.700 0.009 0.000 1.530 41 T CA -1.224 60.870 62.100 -0.009 0.000 1.652 41 T CB 1.110 69.980 68.868 0.003 0.000 0.895 41 T HN 0.357 nan 8.240 nan 0.000 0.674 42 P HA -0.085 nan 4.420 nan 0.000 0.218 42 P C 1.284 178.613 177.300 0.048 0.000 1.149 42 P CA 0.437 63.547 63.100 0.017 0.000 0.817 42 P CB 0.066 31.775 31.700 0.016 0.000 0.785 43 F N 0.703 120.620 119.950 -0.054 0.000 2.051 43 F HA -0.138 4.310 4.527 -0.132 0.000 0.296 43 F C 2.547 178.323 175.800 -0.041 0.000 1.122 43 F CA 1.829 59.806 58.000 -0.038 0.000 1.201 43 F CB -0.746 38.154 39.000 -0.167 0.000 0.978 43 F HN -0.310 nan 8.300 nan 0.000 0.472 44 M N -0.024 119.595 119.600 0.032 0.000 2.117 44 M HA -0.209 4.192 4.480 -0.133 0.000 0.262 44 M C 1.715 177.984 176.300 -0.052 0.000 1.065 44 M CA 1.736 56.939 55.300 -0.162 0.000 1.114 44 M CB -0.646 31.942 32.600 -0.019 0.000 1.361 44 M HN 0.103 nan 8.290 nan 0.000 0.408 45 D N 0.814 121.198 120.400 -0.027 0.000 2.104 45 D HA -0.123 4.437 4.640 -0.133 0.000 0.194 45 D C 2.001 178.250 176.300 -0.085 0.000 0.994 45 D CA 1.794 55.770 54.000 -0.039 0.000 0.830 45 D CB -0.247 40.535 40.800 -0.030 0.000 0.959 45 D HN 0.340 nan 8.370 nan 0.000 0.452 46 A N 0.200 122.947 122.820 -0.121 0.000 1.902 46 A HA -0.196 4.044 4.320 -0.133 0.000 0.217 46 A C 1.827 179.237 177.584 -0.290 0.000 1.181 46 A CA 1.574 53.486 52.037 -0.209 0.000 0.623 46 A CB -0.903 17.938 19.000 -0.266 0.000 0.818 46 A HN 0.299 nan 8.150 nan 0.000 0.443 47 H N -0.727 118.190 119.070 -0.255 0.000 2.495 47 H HA 0.066 4.543 4.556 -0.132 0.000 0.287 47 H C 2.129 177.485 175.328 0.047 0.000 1.033 47 H CA 1.121 57.099 56.048 -0.118 0.000 1.307 47 H CB -0.047 29.539 29.762 -0.293 0.000 1.401 47 H HN 0.430 nan 8.280 nan 0.000 0.555 48 R N 0.421 120.900 120.500 -0.034 0.000 2.159 48 R HA -0.077 4.183 4.340 -0.133 0.000 0.237 48 R C 1.783 177.922 176.300 -0.268 0.000 1.131 48 R CA 1.014 56.781 56.100 -0.557 0.000 0.982 48 R CB -0.024 29.900 30.300 -0.627 0.000 0.868 48 R HN 0.344 nan 8.270 nan 0.000 0.453 49 R N 0.066 120.499 120.500 -0.112 0.000 2.236 49 R HA -0.033 4.228 4.340 -0.133 0.000 0.208 49 R C 0.184 176.485 176.300 0.003 0.000 1.036 49 R CA 0.446 56.515 56.100 -0.051 0.000 1.001 49 R CB 0.037 30.294 30.300 -0.071 0.000 0.896 49 R HN 0.029 nan 8.270 nan 0.000 0.464 50 D N 0.543 120.967 120.400 0.039 0.000 2.428 50 D HA 0.062 4.622 4.640 -0.133 0.000 0.221 50 D C 0.243 176.624 176.300 0.136 0.000 1.123 50 D CA -0.168 53.860 54.000 0.047 0.000 0.869 50 D CB 0.391 41.203 40.800 0.020 0.000 1.032 50 D HN -0.075 nan 8.370 nan 0.000 0.506 51 N N 2.742 121.504 118.700 0.103 0.000 2.453 51 N HA -0.077 4.584 4.740 -0.133 0.000 0.183 51 N C 1.287 176.852 175.510 0.090 0.000 1.041 51 N CA 0.488 53.617 53.050 0.133 0.000 0.900 51 N CB 0.238 38.784 38.487 0.099 0.000 0.961 51 N HN 0.465 nan 8.380 nan 0.000 0.443 52 R N -0.381 120.123 120.500 0.008 0.000 2.153 52 R HA 0.040 4.300 4.340 -0.133 0.000 0.218 52 R C 0.708 177.075 176.300 0.113 0.000 1.072 52 R CA 0.847 56.926 56.100 -0.034 0.000 0.990 52 R CB 0.007 30.169 30.300 -0.229 0.000 0.889 52 R HN 0.505 nan 8.270 nan 0.000 0.452 53 H N -2.201 116.950 119.070 0.135 0.000 2.784 53 H HA 0.161 4.638 4.556 -0.133 0.000 0.273 53 H C -0.913 174.574 175.328 0.266 0.000 1.112 53 H CA -0.571 55.577 56.048 0.168 0.000 1.162 53 H CB 0.756 30.624 29.762 0.177 0.000 1.586 53 H HN -0.017 nan 8.280 nan 0.000 0.548 54 F N 1.995 122.046 119.950 0.168 0.000 2.591 54 F HA 0.500 4.947 4.527 -0.133 0.000 0.309 54 F C -1.240 174.551 175.800 -0.016 0.000 1.098 54 F CA -0.831 57.194 58.000 0.042 0.000 0.937 54 F CB 1.357 40.391 39.000 0.056 0.000 1.250 54 F HN -0.010 nan 8.300 nan 0.000 0.447 55 R N 3.381 123.119 120.500 -1.271 0.000 2.762 55 R HA 0.811 5.071 4.340 -0.133 0.000 0.271 55 R C -2.015 173.573 176.300 -1.188 0.000 1.038 55 R CA -0.927 54.477 56.100 -1.159 0.000 0.906 55 R CB 0.966 31.006 30.300 -0.433 0.000 1.259 55 R HN 0.648 nan 8.270 nan 0.000 0.457 56 C N 1.174 120.102 119.300 -0.620 0.000 2.397 56 C HA 0.843 5.224 4.460 -0.133 0.000 0.343 56 C C 0.053 174.929 174.990 -0.189 0.000 1.188 56 C CA -0.351 58.471 59.018 -0.326 0.000 1.992 56 C CB 1.278 28.931 27.740 -0.145 0.000 2.358 56 C HN 0.593 nan 8.230 nan 0.000 0.518 57 V N 0.599 120.443 119.914 -0.117 0.000 3.074 57 V HA 0.679 4.719 4.120 -0.133 0.000 0.314 57 V C -0.542 175.538 176.094 -0.023 0.000 1.117 57 V CA -1.077 61.181 62.300 -0.069 0.000 1.014 57 V CB 1.346 33.129 31.823 -0.067 0.000 1.057 57 V HN 0.878 nan 8.190 nan 0.000 0.438 58 R N 1.432 121.923 120.500 -0.015 0.000 2.543 58 R HA 0.656 4.917 4.340 -0.133 0.000 0.277 58 R C 0.388 176.699 176.300 0.018 0.000 1.074 58 R CA 0.418 56.528 56.100 0.017 0.000 1.076 58 R CB 1.230 31.511 30.300 -0.032 0.000 0.993 58 R HN 1.083 nan 8.270 nan 0.000 0.459 59 A N 2.329 125.202 122.820 0.089 0.000 2.622 59 A HA 0.108 4.348 4.320 -0.133 0.000 0.283 59 A C -0.474 177.203 177.584 0.155 0.000 0.998 59 A CA -0.423 51.667 52.037 0.088 0.000 0.985 59 A CB 0.044 19.098 19.000 0.091 0.000 1.236 59 A HN 0.862 nan 8.150 nan 0.000 0.559 60 H N -2.626 116.457 119.070 0.022 0.000 2.941 60 H HA 0.676 5.152 4.556 -0.133 0.000 0.344 60 H C 0.578 175.911 175.328 0.008 0.000 1.235 60 H CA -0.144 55.920 56.048 0.027 0.000 1.149 60 H CB 0.686 30.476 29.762 0.046 0.000 1.885 60 H HN 1.116 nan 8.280 nan 0.000 0.558 61 G N 0.157 108.901 108.800 -0.092 0.000 2.574 61 G HA2 -0.414 3.466 3.960 -0.133 0.000 0.282 61 G HA3 -0.414 3.466 3.960 -0.133 0.000 0.282 61 G C 1.201 176.008 174.900 -0.155 0.000 1.257 61 G CA 2.232 47.236 45.100 -0.160 0.000 0.956 61 G HN 1.375 nan 8.290 nan 0.000 0.560 62 T N -1.458 113.002 114.554 -0.156 0.000 2.929 62 T HA 0.193 4.463 4.350 -0.133 0.000 0.271 62 T C 2.558 177.183 174.700 -0.124 0.000 1.085 62 T CA 2.506 64.536 62.100 -0.116 0.000 1.125 62 T CB -0.460 68.351 68.868 -0.096 0.000 0.874 62 T HN 1.979 nan 8.240 nan 0.000 0.494 63 A N 1.410 124.133 122.820 -0.162 0.000 2.070 63 A HA 0.168 4.408 4.320 -0.133 0.000 0.220 63 A C 2.276 179.791 177.584 -0.114 0.000 1.159 63 A CA 1.440 53.395 52.037 -0.137 0.000 0.656 63 A CB -0.601 18.307 19.000 -0.153 0.000 0.800 63 A HN 1.050 nan 8.150 nan 0.000 0.453 64 V N -5.276 114.574 119.914 -0.107 0.000 3.159 64 V HA 0.618 4.658 4.120 -0.133 0.000 0.333 64 V C 0.951 176.989 176.094 -0.093 0.000 1.424 64 V CA 0.343 62.588 62.300 -0.091 0.000 1.125 64 V CB -0.676 31.110 31.823 -0.062 0.000 1.075 64 V HN 1.400 nan 8.190 nan 0.000 0.482 65 G N 0.956 109.699 108.800 -0.095 0.000 2.137 65 G HA2 -0.214 3.666 3.960 -0.133 0.000 0.237 65 G HA3 -0.214 3.666 3.960 -0.133 0.000 0.237 65 G C -0.180 174.667 174.900 -0.088 0.000 1.002 65 G CA 0.399 45.443 45.100 -0.094 0.000 0.702 65 G HN 0.585 nan 8.290 nan 0.000 0.515 66 L N -0.507 120.671 121.223 -0.075 0.000 2.399 66 L HA 0.386 4.647 4.340 -0.133 0.000 0.265 66 L C -0.446 176.390 176.870 -0.057 0.000 1.089 66 L CA -2.250 52.555 54.840 -0.058 0.000 0.802 66 L CB 1.040 43.086 42.059 -0.021 0.000 1.180 66 L HN -0.133 nan 8.230 nan 0.000 0.454 67 P HA -0.125 nan 4.420 nan 0.000 0.215 67 P C 0.139 177.420 177.300 -0.030 0.000 1.157 67 P CA 1.304 64.374 63.100 -0.049 0.000 0.874 67 P CB 0.096 31.770 31.700 -0.043 0.000 0.790 68 T N -6.129 108.419 114.554 -0.010 0.000 2.812 68 T HA 0.316 4.586 4.350 -0.133 0.000 0.294 68 T C 0.047 174.759 174.700 0.019 0.000 1.159 68 T CA -0.740 61.361 62.100 0.001 0.000 1.008 68 T CB 0.959 69.838 68.868 0.018 0.000 1.289 68 T HN -0.286 nan 8.240 nan 0.000 0.514 69 D N 0.230 120.646 120.400 0.028 0.000 2.378 69 D HA 0.214 4.774 4.640 -0.133 0.000 0.227 69 D C 1.814 178.236 176.300 0.203 0.000 1.012 69 D CA 0.692 54.737 54.000 0.075 0.000 0.905 69 D CB -0.167 40.666 40.800 0.054 0.000 0.895 69 D HN 0.698 nan 8.370 nan 0.000 0.532 70 A N 0.034 122.931 122.820 0.129 0.000 2.178 70 A HA -0.029 4.212 4.320 -0.133 0.000 0.211 70 A C 0.838 178.497 177.584 0.125 0.000 1.157 70 A CA 0.181 52.285 52.037 0.113 0.000 0.780 70 A CB 0.267 19.311 19.000 0.075 0.000 0.828 70 A HN -0.032 nan 8.150 nan 0.000 0.476 71 D N 1.927 122.413 120.400 0.144 0.000 2.317 71 D HA 0.303 4.864 4.640 -0.133 0.000 0.252 71 D C 0.550 176.962 176.300 0.186 0.000 1.174 71 D CA 0.042 54.120 54.000 0.130 0.000 0.866 71 D CB 0.813 41.664 40.800 0.086 0.000 1.127 71 D HN 0.536 nan 8.370 nan 0.000 0.467 72 M N 0.260 119.945 119.600 0.142 0.000 2.252 72 M HA 0.275 4.676 4.480 -0.133 0.000 0.321 72 M C 0.710 177.119 176.300 0.182 0.000 1.070 72 M CA -0.206 55.188 55.300 0.155 0.000 1.143 72 M CB 0.233 32.925 32.600 0.153 0.000 1.498 72 M HN 0.135 nan 8.290 nan 0.000 0.445 73 G N 1.782 110.702 108.800 0.199 0.000 2.634 73 G HA2 0.428 4.308 3.960 -0.133 0.000 0.255 73 G HA3 0.428 4.308 3.960 -0.133 0.000 0.255 73 G C -0.714 174.215 174.900 0.048 0.000 1.205 73 G CA -0.606 44.581 45.100 0.145 0.000 0.884 73 G HN 1.111 nan 8.290 nan 0.000 0.549 74 N N -2.885 115.788 118.700 -0.044 0.000 2.825 74 N HA 0.277 4.937 4.740 -0.133 0.000 0.253 74 N C 0.561 176.070 175.510 -0.002 0.000 1.426 74 N CA -0.083 52.860 53.050 -0.178 0.000 0.851 74 N CB 1.208 39.743 38.487 0.080 0.000 1.470 74 N HN 0.250 nan 8.380 nan 0.000 0.517 75 S N -0.757 115.026 115.700 0.139 0.000 2.383 75 S HA -0.216 4.174 4.470 -0.133 0.000 0.229 75 S C 1.240 175.876 174.600 0.059 0.000 1.030 75 S CA 1.850 60.283 58.200 0.390 0.000 1.002 75 S CB -0.494 63.090 63.200 0.639 0.000 0.829 75 S HN 0.662 nan 8.310 nan 0.000 0.467 76 E N 0.301 120.259 120.200 -0.402 0.000 2.015 76 E HA -0.128 4.143 4.350 -0.133 0.000 0.191 76 E C 2.145 178.444 176.600 -0.502 0.000 0.991 76 E CA 1.809 57.558 56.400 -1.084 0.000 0.802 76 E CB -0.243 28.799 29.700 -1.097 0.000 0.759 76 E HN 0.497 nan 8.360 nan 0.000 0.447 77 V N -0.904 118.848 119.914 -0.271 0.000 2.490 77 V HA -0.053 3.987 4.120 -0.133 0.000 0.250 77 V C 2.187 178.220 176.094 -0.102 0.000 1.061 77 V CA 1.971 64.173 62.300 -0.163 0.000 1.064 77 V CB -1.279 30.482 31.823 -0.104 0.000 0.670 77 V HN 0.345 nan 8.190 nan 0.000 0.461 78 G N -0.456 108.327 108.800 -0.028 0.000 2.414 78 G HA2 -0.202 3.679 3.960 -0.133 0.000 0.215 78 G HA3 -0.202 3.679 3.960 -0.133 0.000 0.215 78 G C 1.279 176.152 174.900 -0.046 0.000 1.188 78 G CA 1.137 46.237 45.100 0.000 0.000 0.783 78 G HN 0.651 nan 8.290 nan 0.000 0.537 79 H N 0.242 119.322 119.070 0.018 0.000 2.353 79 H HA 0.004 4.481 4.556 -0.131 0.000 0.300 79 H C 2.578 177.820 175.328 -0.143 0.000 1.090 79 H CA 1.429 57.518 56.048 0.069 0.000 1.327 79 H CB -0.287 29.664 29.762 0.315 0.000 1.383 79 H HN 0.361 nan 8.280 nan 0.000 0.508 80 N N -0.073 118.600 118.700 -0.045 0.000 2.021 80 N HA -0.273 4.388 4.740 -0.133 0.000 0.198 80 N C 2.065 177.428 175.510 -0.245 0.000 1.041 80 N CA 1.065 54.020 53.050 -0.158 0.000 0.862 80 N CB -0.193 38.190 38.487 -0.175 0.000 1.048 80 N HN 0.383 nan 8.380 nan 0.000 0.427 81 A N 1.310 123.998 122.820 -0.219 0.000 1.902 81 A HA -0.087 4.154 4.320 -0.133 0.000 0.217 81 A C 2.224 179.615 177.584 -0.322 0.000 1.181 81 A CA 1.013 52.905 52.037 -0.242 0.000 0.623 81 A CB -0.780 18.114 19.000 -0.177 0.000 0.818 81 A HN 0.209 nan 8.150 nan 0.000 0.443 82 L N -0.760 120.245 121.223 -0.362 0.000 2.079 82 L HA -0.180 4.080 4.340 -0.133 0.000 0.210 82 L C 2.656 179.039 176.870 -0.812 0.000 1.081 82 L CA 1.231 55.786 54.840 -0.475 0.000 0.752 82 L CB -0.538 41.249 42.059 -0.455 0.000 0.896 82 L HN 0.519 nan 8.230 nan 0.000 0.433 83 G N -1.549 106.569 108.800 -1.137 0.000 2.603 83 G HA2 0.064 3.944 3.960 -0.133 0.000 0.214 83 G HA3 0.064 3.944 3.960 -0.133 0.000 0.214 83 G C 1.545 176.174 174.900 -0.451 0.000 1.140 83 G CA 0.629 45.022 45.100 -1.178 0.000 0.800 83 G HN 0.440 nan 8.290 nan 0.000 0.533 84 A N -0.488 122.081 122.820 -0.419 0.000 2.063 84 A HA 0.485 4.725 4.320 -0.133 0.000 0.211 84 A C 2.135 179.282 177.584 -0.728 0.000 1.177 84 A CA 1.366 53.179 52.037 -0.372 0.000 0.759 84 A CB -0.270 18.558 19.000 -0.287 0.000 0.857 84 A HN 1.427 nan 8.150 nan 0.000 0.468 85 G N -0.890 107.481 108.800 -0.715 0.000 2.168 85 G HA2 -0.263 3.618 3.960 -0.133 0.000 0.263 85 G HA3 -0.263 3.618 3.960 -0.133 0.000 0.263 85 G C 0.266 174.764 174.900 -0.671 0.000 0.977 85 G CA 0.682 45.227 45.100 -0.926 0.000 0.659 85 G HN 0.682 nan 8.290 nan 0.000 0.533 86 R N -1.397 118.823 120.500 -0.467 0.000 2.774 86 R HA 0.582 4.842 4.340 -0.133 0.000 0.272 86 R C -1.016 175.159 176.300 -0.208 0.000 1.000 86 R CA -0.888 55.044 56.100 -0.280 0.000 0.906 86 R CB 2.161 32.327 30.300 -0.223 0.000 1.227 86 R HN 0.110 nan 8.270 nan 0.000 0.468 87 V N 1.711 121.534 119.914 -0.152 0.000 2.350 87 V HA 0.490 4.530 4.120 -0.133 0.000 0.276 87 V C 0.051 176.079 176.094 -0.111 0.000 1.028 87 V CA -0.628 61.594 62.300 -0.130 0.000 0.860 87 V CB 1.098 32.854 31.823 -0.113 0.000 0.990 87 V HN 0.875 nan 8.190 nan 0.000 0.453 88 A N 5.376 128.129 122.820 -0.112 0.000 2.312 88 A HA 0.773 5.014 4.320 -0.133 0.000 0.328 88 A C -0.206 177.321 177.584 -0.095 0.000 1.158 88 A CA -0.735 51.245 52.037 -0.096 0.000 0.821 88 A CB 0.626 19.569 19.000 -0.095 0.000 1.170 88 A HN 0.834 nan 8.150 nan 0.000 0.490 89 L N 2.760 123.931 121.223 -0.087 0.000 2.584 89 L HA 0.003 4.263 4.340 -0.133 0.000 0.272 89 L C 0.689 177.496 176.870 -0.104 0.000 1.195 89 L CA 0.038 54.823 54.840 -0.093 0.000 0.920 89 L CB -0.015 41.993 42.059 -0.086 0.000 1.173 89 L HN 0.723 nan 8.230 nan 0.000 0.489 90 Q N 2.059 121.788 119.800 -0.117 0.000 2.162 90 Q HA 0.206 4.466 4.340 -0.133 0.000 0.197 90 Q C 1.247 177.143 176.000 -0.172 0.000 1.013 90 Q CA 0.193 55.920 55.803 -0.128 0.000 1.040 90 Q CB 0.859 29.525 28.738 -0.120 0.000 1.114 90 Q HN 0.757 nan 8.270 nan 0.000 0.547 91 G N 0.526 109.221 108.800 -0.174 0.000 2.476 91 G HA2 -0.306 3.575 3.960 -0.133 0.000 0.218 91 G HA3 -0.306 3.575 3.960 -0.133 0.000 0.218 91 G C 1.313 175.806 174.900 -0.679 0.000 1.164 91 G CA 1.435 46.369 45.100 -0.275 0.000 0.768 91 G HN 0.633 nan 8.290 nan 0.000 0.560 92 A N 0.605 122.919 122.820 -0.845 0.000 1.883 92 A HA -0.030 4.210 4.320 -0.133 0.000 0.217 92 A C 2.734 180.022 177.584 -0.494 0.000 1.186 92 A CA 2.423 53.864 52.037 -0.993 0.000 0.624 92 A CB -0.747 17.984 19.000 -0.447 0.000 0.822 92 A HN 0.340 nan 8.150 nan 0.000 0.444 93 S N -0.118 115.399 115.700 -0.305 0.000 2.368 93 S HA -0.107 4.284 4.470 -0.133 0.000 0.225 93 S C 1.834 176.321 174.600 -0.189 0.000 1.030 93 S CA 1.544 59.626 58.200 -0.196 0.000 0.999 93 S CB -0.480 62.634 63.200 -0.143 0.000 0.844 93 S HN 0.503 nan 8.310 nan 0.000 0.459 94 L N 0.970 122.069 121.223 -0.206 0.000 2.056 94 L HA -0.068 4.192 4.340 -0.133 0.000 0.207 94 L C 2.326 179.095 176.870 -0.169 0.000 1.078 94 L CA 0.792 55.536 54.840 -0.161 0.000 0.749 94 L CB -0.694 41.283 42.059 -0.137 0.000 0.901 94 L HN 0.200 nan 8.230 nan 0.000 0.433 95 V N -0.358 119.413 119.914 -0.238 0.000 2.307 95 V HA -0.267 3.774 4.120 -0.133 0.000 0.245 95 V C 2.129 178.123 176.094 -0.167 0.000 1.045 95 V CA 1.803 63.982 62.300 -0.202 0.000 1.024 95 V CB -0.528 31.150 31.823 -0.243 0.000 0.651 95 V HN 0.405 nan 8.190 nan 0.000 0.449 96 D N 0.039 120.334 120.400 -0.175 0.000 2.123 96 D HA -0.219 4.342 4.640 -0.133 0.000 0.196 96 D C 1.922 178.164 176.300 -0.098 0.000 0.992 96 D CA 1.909 55.840 54.000 -0.115 0.000 0.833 96 D CB -0.355 40.382 40.800 -0.104 0.000 0.954 96 D HN 0.576 nan 8.370 nan 0.000 0.455 97 D N 0.037 120.374 120.400 -0.106 0.000 2.097 97 D HA -0.106 4.455 4.640 -0.133 0.000 0.195 97 D C 1.939 178.179 176.300 -0.099 0.000 0.989 97 D CA 1.734 55.680 54.000 -0.089 0.000 0.827 97 D CB -0.030 40.719 40.800 -0.085 0.000 0.966 97 D HN 0.109 nan 8.370 nan 0.000 0.456 98 A N -0.141 122.604 122.820 -0.125 0.000 1.972 98 A HA -0.092 4.148 4.320 -0.133 0.000 0.219 98 A C 2.338 179.790 177.584 -0.219 0.000 1.169 98 A CA 1.011 52.950 52.037 -0.162 0.000 0.635 98 A CB -0.654 18.244 19.000 -0.170 0.000 0.810 98 A HN 0.393 nan 8.150 nan 0.000 0.446 99 I N -0.850 119.607 120.570 -0.187 0.000 2.277 99 I HA -0.201 3.889 4.170 -0.133 0.000 0.243 99 I C 2.411 178.487 176.117 -0.069 0.000 1.094 99 I CA 1.266 62.466 61.300 -0.168 0.000 1.393 99 I CB -0.246 37.695 38.000 -0.099 0.000 1.078 99 I HN 0.248 nan 8.210 nan 0.000 0.417 100 K N 0.712 121.081 120.400 -0.050 0.000 2.063 100 K HA -0.169 4.071 4.320 -0.133 0.000 0.208 100 K C 2.221 178.811 176.600 -0.018 0.000 1.048 100 K CA 1.947 58.223 56.287 -0.019 0.000 0.928 100 K CB -0.243 32.243 32.500 -0.022 0.000 0.713 100 K HN 0.381 nan 8.250 nan 0.000 0.442 101 S N -0.675 114.998 115.700 -0.045 0.000 2.461 101 S HA 0.024 4.414 4.470 -0.133 0.000 0.228 101 S C 1.636 176.217 174.600 -0.032 0.000 1.005 101 S CA 0.781 58.958 58.200 -0.038 0.000 0.942 101 S CB 0.057 63.225 63.200 -0.053 0.000 0.776 101 S HN 0.471 nan 8.310 nan 0.000 0.514 102 G N 1.171 109.935 108.800 -0.060 0.000 2.179 102 G HA2 -0.313 3.567 3.960 -0.133 0.000 0.260 102 G HA3 -0.313 3.567 3.960 -0.133 0.000 0.260 102 G C 0.570 175.393 174.900 -0.129 0.000 0.977 102 G CA 0.501 45.578 45.100 -0.038 0.000 0.641 102 G HN 0.585 nan 8.290 nan 0.000 0.533 103 E N -0.376 119.735 120.200 -0.149 0.000 2.265 103 E HA 0.035 4.306 4.350 -0.133 0.000 0.196 103 E C 2.346 178.811 176.600 -0.225 0.000 0.996 103 E CA 0.823 57.140 56.400 -0.138 0.000 0.832 103 E CB 0.016 29.658 29.700 -0.098 0.000 0.756 103 E HN 0.693 nan 8.360 nan 0.000 0.491 104 I N 0.406 120.733 120.570 -0.405 0.000 2.335 104 I HA -0.314 3.777 4.170 -0.133 0.000 0.251 104 I C 1.266 177.013 176.117 -0.617 0.000 1.129 104 I CA 1.342 62.321 61.300 -0.535 0.000 1.402 104 I CB 0.090 37.656 38.000 -0.724 0.000 1.069 104 I HN 0.115 nan 8.210 nan 0.000 0.424 105 Y N 0.058 120.110 120.300 -0.414 0.000 2.523 105 Y HA -0.027 4.443 4.550 -0.133 0.000 0.279 105 Y C 2.586 178.402 175.900 -0.140 0.000 1.139 105 Y CA 0.983 58.722 58.100 -0.601 0.000 1.296 105 Y CB -0.791 37.173 38.460 -0.826 0.000 1.045 105 Y HN 0.263 nan 8.280 nan 0.000 0.538 106 T N -3.138 111.415 114.554 -0.003 0.000 3.060 106 T HA 0.294 4.564 4.350 -0.133 0.000 0.249 106 T C 1.218 175.933 174.700 0.025 0.000 1.079 106 T CA 0.217 62.338 62.100 0.035 0.000 1.013 106 T CB -0.359 68.516 68.868 0.012 0.000 0.975 106 T HN 0.174 nan 8.240 nan 0.000 0.518 107 G N 0.996 109.797 108.800 0.002 0.000 2.606 107 G HA2 0.297 4.178 3.960 -0.133 0.000 0.252 107 G HA3 0.297 4.178 3.960 -0.133 0.000 0.252 107 G C 0.499 175.406 174.900 0.013 0.000 1.206 107 G CA -0.530 44.560 45.100 -0.017 0.000 0.861 107 G HN 0.407 nan 8.290 nan 0.000 0.561 108 E N 0.749 120.919 120.200 -0.050 0.000 2.085 108 E HA -0.130 4.141 4.350 -0.133 0.000 0.194 108 E C 2.588 179.178 176.600 -0.017 0.000 0.994 108 E CA 1.050 57.421 56.400 -0.048 0.000 0.801 108 E CB -0.145 29.481 29.700 -0.123 0.000 0.743 108 E HN 0.566 nan 8.360 nan 0.000 0.453 109 G N 0.764 109.512 108.800 -0.086 0.000 2.459 109 G HA2 -0.323 3.557 3.960 -0.133 0.000 0.217 109 G HA3 -0.323 3.557 3.960 -0.133 0.000 0.217 109 G C 1.429 176.418 174.900 0.150 0.000 1.183 109 G CA 0.999 46.080 45.100 -0.032 0.000 0.776 109 G HN 0.281 nan 8.290 nan 0.000 0.552 110 Y N 1.649 121.981 120.300 0.053 0.000 2.145 110 Y HA -0.084 4.387 4.550 -0.133 0.000 0.286 110 Y C 3.001 178.989 175.900 0.148 0.000 1.145 110 Y CA 1.735 59.920 58.100 0.141 0.000 1.148 110 Y CB 0.016 38.563 38.460 0.145 0.000 0.981 110 Y HN -0.024 nan 8.280 nan 0.000 0.507 111 R N -0.458 120.147 120.500 0.175 0.000 2.091 111 R HA -0.243 4.018 4.340 -0.133 0.000 0.238 111 R C 2.089 178.398 176.300 0.015 0.000 1.136 111 R CA 1.776 57.915 56.100 0.065 0.000 0.959 111 R CB -1.785 28.564 30.300 0.082 0.000 0.856 111 R HN 0.544 nan 8.270 nan 0.000 0.437 112 Y N 1.659 121.919 120.300 -0.067 0.000 2.070 112 Y HA -0.205 4.265 4.550 -0.134 0.000 0.280 112 Y C 2.226 178.055 175.900 -0.119 0.000 1.148 112 Y CA 1.612 59.666 58.100 -0.077 0.000 1.125 112 Y CB -0.575 37.850 38.460 -0.058 0.000 0.975 112 Y HN -0.073 nan 8.280 nan 0.000 0.492 113 L N -0.554 120.560 121.223 -0.182 0.000 2.042 113 L HA -0.297 3.964 4.340 -0.133 0.000 0.210 113 L C 2.745 179.278 176.870 -0.563 0.000 1.076 113 L CA 1.859 56.546 54.840 -0.254 0.000 0.749 113 L CB -1.025 41.053 42.059 0.032 0.000 0.893 113 L HN 0.449 nan 8.230 nan 0.000 0.432 114 H N 0.547 119.067 119.070 -0.917 0.000 2.352 114 H HA -0.154 4.323 4.556 -0.133 0.000 0.299 114 H C 2.019 176.799 175.328 -0.913 0.000 1.097 114 H CA 1.665 56.816 56.048 -1.497 0.000 1.311 114 H CB 0.000 29.218 29.762 -0.907 0.000 1.377 114 H HN 0.339 nan 8.280 nan 0.000 0.504 115 G N -0.228 108.280 108.800 -0.487 0.000 2.499 115 G HA2 -0.236 3.645 3.960 -0.133 0.000 0.221 115 G HA3 -0.236 3.645 3.960 -0.133 0.000 0.221 115 G C 1.739 176.397 174.900 -0.403 0.000 1.109 115 G CA 1.053 45.937 45.100 -0.359 0.000 0.749 115 G HN 0.609 nan 8.290 nan 0.000 0.568 116 A N 0.829 123.367 122.820 -0.471 0.000 1.909 116 A HA 0.357 4.597 4.320 -0.133 0.000 0.210 116 A C 2.083 179.508 177.584 -0.264 0.000 1.273 116 A CA 1.048 52.897 52.037 -0.313 0.000 0.654 116 A CB -0.415 18.437 19.000 -0.247 0.000 0.945 116 A HN 0.615 nan 8.150 nan 0.000 0.471 117 F N 1.221 121.025 119.950 -0.244 0.000 2.502 117 F HA 0.020 4.466 4.527 -0.134 0.000 0.298 117 F C 1.858 177.519 175.800 -0.232 0.000 1.111 117 F CA 1.171 59.051 58.000 -0.200 0.000 1.445 117 F CB -0.430 38.475 39.000 -0.158 0.000 1.081 117 F HN 0.187 nan 8.300 nan 0.000 0.558 118 S N -0.492 114.907 115.700 -0.503 0.000 2.603 118 S HA 0.095 4.486 4.470 -0.133 0.000 0.220 118 S C 0.499 174.975 174.600 -0.208 0.000 0.967 118 S CA -0.413 57.557 58.200 -0.383 0.000 0.920 118 S CB -0.594 62.082 63.200 -0.874 0.000 0.773 118 S HN 0.379 nan 8.310 nan 0.000 0.529 119 K N 2.180 122.475 120.400 -0.176 0.000 2.249 119 K HA 0.220 4.461 4.320 -0.133 0.000 0.280 119 K C 0.061 176.629 176.600 -0.052 0.000 1.033 119 K CA -0.376 55.848 56.287 -0.105 0.000 0.946 119 K CB 0.785 33.224 32.500 -0.103 0.000 1.005 119 K HN 0.324 nan 8.250 nan 0.000 0.469 120 E N 0.692 120.870 120.200 -0.038 0.000 2.502 120 E HA -0.110 4.160 4.350 -0.133 0.000 0.261 120 E C 0.737 177.328 176.600 -0.015 0.000 0.974 120 E CA 1.158 57.545 56.400 -0.021 0.000 0.936 120 E CB 0.268 29.957 29.700 -0.017 0.000 0.926 120 E HN 0.827 nan 8.360 nan 0.000 0.459 121 G N 3.091 111.886 108.800 -0.008 0.000 2.268 121 G HA2 -0.309 3.571 3.960 -0.133 0.000 0.240 121 G HA3 -0.309 3.571 3.960 -0.133 0.000 0.240 121 G C 0.378 175.281 174.900 0.005 0.000 1.010 121 G CA 0.383 45.482 45.100 -0.002 0.000 0.618 121 G HN 0.661 nan 8.290 nan 0.000 0.516 122 S N 0.538 116.240 115.700 0.005 0.000 2.580 122 S HA 0.624 5.015 4.470 -0.133 0.000 0.274 122 S C 0.286 174.900 174.600 0.023 0.000 1.329 122 S CA 1.035 59.247 58.200 0.021 0.000 1.036 122 S CB 0.960 64.168 63.200 0.013 0.000 0.919 122 S HN 0.557 nan 8.310 nan 0.000 0.515 123 T N 4.413 118.985 114.554 0.030 0.000 2.841 123 T HA 0.413 4.684 4.350 -0.133 0.000 0.283 123 T C -0.910 173.759 174.700 -0.051 0.000 1.000 123 T CA -0.476 61.587 62.100 -0.063 0.000 0.977 123 T CB 1.178 69.950 68.868 -0.159 0.000 0.979 123 T HN 0.542 nan 8.240 nan 0.000 0.446 124 L N 5.126 126.257 121.223 -0.153 0.000 2.261 124 L HA 0.355 4.615 4.340 -0.133 0.000 0.289 124 L C -0.344 176.402 176.870 -0.208 0.000 1.059 124 L CA -0.085 54.659 54.840 -0.160 0.000 0.816 124 L CB -0.126 41.680 42.059 -0.422 0.000 1.191 124 L HN 0.630 nan 8.230 nan 0.000 0.431 125 H N 5.893 124.950 119.070 -0.022 0.000 2.473 125 H HA 0.423 4.901 4.556 -0.130 0.000 0.327 125 H C -0.957 174.377 175.328 0.010 0.000 1.105 125 H CA -0.573 55.502 56.048 0.045 0.000 1.280 125 H CB 1.709 31.517 29.762 0.077 0.000 1.450 125 H HN 0.460 nan 8.280 nan 0.000 0.492 126 L N 4.776 126.093 121.223 0.157 0.000 2.325 126 L HA 0.397 4.658 4.340 -0.133 0.000 0.281 126 L C -0.148 176.803 176.870 0.135 0.000 1.004 126 L CA -0.079 54.812 54.840 0.084 0.000 0.823 126 L CB 1.388 43.469 42.059 0.037 0.000 1.236 126 L HN 0.434 nan 8.230 nan 0.000 0.415 127 I N 2.459 123.068 120.570 0.065 0.000 2.436 127 I HA 0.914 5.005 4.170 -0.133 0.000 0.289 127 I C 0.458 176.578 176.117 0.005 0.000 1.010 127 I CA -0.370 60.965 61.300 0.058 0.000 1.098 127 I CB 1.855 39.876 38.000 0.034 0.000 1.266 127 I HN 0.708 nan 8.210 nan 0.000 0.434 128 G N 4.551 113.331 108.800 -0.034 0.000 2.333 128 G HA2 0.277 4.157 3.960 -0.133 0.000 0.288 128 G HA3 0.277 4.157 3.960 -0.133 0.000 0.288 128 G C -2.133 172.679 174.900 -0.146 0.000 1.286 128 G CA -0.988 44.060 45.100 -0.087 0.000 0.865 128 G HN 0.384 nan 8.290 nan 0.000 0.506 129 L N 0.590 121.703 121.223 -0.184 0.000 2.369 129 L HA 0.671 4.931 4.340 -0.133 0.000 0.279 129 L C 0.015 176.735 176.870 -0.250 0.000 1.108 129 L CA -0.576 54.129 54.840 -0.225 0.000 0.852 129 L CB 0.837 42.747 42.059 -0.249 0.000 1.169 129 L HN 0.547 nan 8.230 nan 0.000 0.452 130 L N 6.452 127.508 121.223 -0.279 0.000 2.328 130 L HA 0.575 4.835 4.340 -0.133 0.000 0.280 130 L C -0.213 176.341 176.870 -0.527 0.000 1.111 130 L CA 0.602 55.253 54.840 -0.315 0.000 0.909 130 L CB -0.257 41.658 42.059 -0.240 0.000 1.277 130 L HN 0.870 nan 8.230 nan 0.000 0.433 131 S N 1.062 116.317 115.700 -0.741 0.000 2.655 131 S HA 0.411 4.802 4.470 -0.133 0.000 0.266 131 S C -0.474 173.659 174.600 -0.779 0.000 1.149 131 S CA -0.212 57.139 58.200 -1.415 0.000 0.818 131 S CB 0.906 63.616 63.200 -0.817 0.000 1.130 131 S HN 0.441 nan 8.310 nan 0.000 0.476 132 D N -0.225 119.875 120.400 -0.500 0.000 2.427 132 D HA 0.268 4.828 4.640 -0.133 0.000 0.224 132 D C 1.494 177.793 176.300 -0.001 0.000 1.157 132 D CA 0.250 54.213 54.000 -0.062 0.000 0.828 132 D CB -0.490 40.421 40.800 0.185 0.000 0.974 132 D HN 0.706 nan 8.370 nan 0.000 0.498 133 G N 1.038 109.802 108.800 -0.060 0.000 2.469 133 G HA2 -0.033 3.848 3.960 -0.133 0.000 0.219 133 G HA3 -0.033 3.848 3.960 -0.133 0.000 0.219 133 G C 1.517 176.432 174.900 0.025 0.000 1.150 133 G CA 0.908 46.004 45.100 -0.007 0.000 0.763 133 G HN 0.860 nan 8.290 nan 0.000 0.561 134 G N -1.524 107.296 108.800 0.033 0.000 2.184 134 G HA2 -0.307 3.574 3.960 -0.133 0.000 0.264 134 G HA3 -0.307 3.574 3.960 -0.133 0.000 0.264 134 G C 1.149 176.163 174.900 0.191 0.000 0.975 134 G CA 0.896 46.080 45.100 0.141 0.000 0.642 134 G HN 0.748 nan 8.290 nan 0.000 0.536 135 V N -0.258 119.688 119.914 0.052 0.000 2.331 135 V HA 0.023 4.064 4.120 -0.133 0.000 0.242 135 V C 2.163 178.098 176.094 -0.265 0.000 1.034 135 V CA 2.106 64.389 62.300 -0.029 0.000 1.027 135 V CB -0.398 31.399 31.823 -0.044 0.000 0.667 135 V HN 0.557 nan 8.190 nan 0.000 0.457 136 H N -0.433 118.421 119.070 -0.359 0.000 2.604 136 H HA 0.321 4.797 4.556 -0.133 0.000 0.273 136 H C 0.927 175.521 175.328 -1.223 0.000 0.971 136 H CA 0.961 56.626 56.048 -0.639 0.000 1.249 136 H CB 1.091 30.622 29.762 -0.384 0.000 1.449 136 H HN 0.595 nan 8.280 nan 0.000 0.512 137 S N -0.209 115.027 115.700 -0.773 0.000 2.655 137 S HA 0.559 4.949 4.470 -0.133 0.000 0.266 137 S C -1.071 173.492 174.600 -0.062 0.000 1.149 137 S CA -1.109 56.794 58.200 -0.496 0.000 0.818 137 S CB 3.278 66.303 63.200 -0.291 0.000 1.130 137 S HN 0.215 nan 8.310 nan 0.000 0.476 138 R N 0.070 120.589 120.500 0.031 0.000 2.584 138 R HA 0.326 4.586 4.340 -0.133 0.000 0.276 138 R C 0.045 176.239 176.300 -0.176 0.000 1.046 138 R CA -0.282 55.793 56.100 -0.041 0.000 0.906 138 R CB 1.406 31.739 30.300 0.056 0.000 1.215 138 R HN 0.922 nan 8.270 nan 0.000 0.449 139 D N 2.668 122.884 120.400 -0.306 0.000 2.149 139 D HA -0.270 4.291 4.640 -0.133 0.000 0.194 139 D C 1.008 176.845 176.300 -0.772 0.000 1.001 139 D CA 2.037 55.664 54.000 -0.621 0.000 0.849 139 D CB -0.257 40.232 40.800 -0.519 0.000 0.939 139 D HN 0.659 nan 8.370 nan 0.000 0.449 140 N N 0.865 119.381 118.700 -0.306 0.000 2.223 140 N HA -0.234 4.426 4.740 -0.133 0.000 0.185 140 N C 1.701 177.183 175.510 -0.047 0.000 1.016 140 N CA 1.488 54.480 53.050 -0.097 0.000 0.863 140 N CB -0.803 37.702 38.487 0.030 0.000 0.983 140 N HN 0.448 nan 8.380 nan 0.000 0.429 141 Q N 0.191 119.953 119.800 -0.062 0.000 2.046 141 Q HA 0.054 4.314 4.340 -0.133 0.000 0.200 141 Q C 2.258 178.262 176.000 0.007 0.000 0.975 141 Q CA 1.390 57.193 55.803 -0.001 0.000 0.836 141 Q CB -0.162 28.599 28.738 0.038 0.000 0.896 141 Q HN 0.426 nan 8.270 nan 0.000 0.428 142 I N -0.069 120.452 120.570 -0.082 0.000 2.163 142 I HA -0.302 3.788 4.170 -0.133 0.000 0.243 142 I C 1.966 178.148 176.117 0.108 0.000 1.085 142 I CA 1.191 62.468 61.300 -0.038 0.000 1.347 142 I CB -0.366 37.544 38.000 -0.150 0.000 1.044 142 I HN 0.195 nan 8.210 nan 0.000 0.408 143 Y N 0.762 121.096 120.300 0.056 0.000 2.181 143 Y HA -0.180 4.290 4.550 -0.133 0.000 0.288 143 Y C 2.963 178.905 175.900 0.069 0.000 1.146 143 Y CA 0.762 58.895 58.100 0.055 0.000 1.164 143 Y CB -1.382 37.112 38.460 0.057 0.000 0.982 143 Y HN 0.103 nan 8.280 nan 0.000 0.515 144 S N 0.150 115.992 115.700 0.236 0.000 2.368 144 S HA -0.150 4.240 4.470 -0.133 0.000 0.225 144 S C 2.159 176.900 174.600 0.236 0.000 1.030 144 S CA 1.340 59.661 58.200 0.202 0.000 0.999 144 S CB -0.539 62.763 63.200 0.171 0.000 0.844 144 S HN 0.361 nan 8.310 nan 0.000 0.459 145 I N 1.051 121.764 120.570 0.238 0.000 2.252 145 I HA -0.166 3.924 4.170 -0.133 0.000 0.245 145 I C 2.022 178.265 176.117 0.209 0.000 1.102 145 I CA 1.081 62.559 61.300 0.297 0.000 1.385 145 I CB -0.345 37.800 38.000 0.243 0.000 1.064 145 I HN 0.247 nan 8.210 nan 0.000 0.414 146 I N 0.742 121.399 120.570 0.145 0.000 2.127 146 I HA -0.314 3.777 4.170 -0.133 0.000 0.241 146 I C 2.444 178.589 176.117 0.048 0.000 1.075 146 I CA 1.692 63.034 61.300 0.071 0.000 1.334 146 I CB -0.359 37.688 38.000 0.079 0.000 1.040 146 I HN 0.230 nan 8.210 nan 0.000 0.405 147 E N -0.461 119.783 120.200 0.073 0.000 2.077 147 E HA -0.266 4.004 4.350 -0.133 0.000 0.193 147 E C 2.192 178.788 176.600 -0.006 0.000 0.989 147 E CA 1.099 57.517 56.400 0.031 0.000 0.800 147 E CB -0.191 29.538 29.700 0.048 0.000 0.746 147 E HN 0.494 nan 8.360 nan 0.000 0.452 148 H N 0.036 119.048 119.070 -0.097 0.000 2.357 148 H HA 0.001 4.477 4.556 -0.133 0.000 0.301 148 H C 2.066 177.320 175.328 -0.124 0.000 1.082 148 H CA 1.451 57.336 56.048 -0.271 0.000 1.342 148 H CB 0.095 29.368 29.762 -0.815 0.000 1.389 148 H HN 0.195 nan 8.280 nan 0.000 0.511 149 A N 0.435 123.329 122.820 0.123 0.000 1.908 149 A HA -0.143 4.097 4.320 -0.133 0.000 0.218 149 A C 2.829 180.441 177.584 0.047 0.000 1.181 149 A CA 1.760 53.879 52.037 0.138 0.000 0.627 149 A CB -0.965 17.945 19.000 -0.151 0.000 0.818 149 A HN 0.282 nan 8.150 nan 0.000 0.445 150 V N 0.006 119.904 119.914 -0.027 0.000 2.343 150 V HA -0.275 3.766 4.120 -0.133 0.000 0.247 150 V C 2.461 178.538 176.094 -0.028 0.000 1.051 150 V CA 2.349 64.631 62.300 -0.030 0.000 1.036 150 V CB -0.624 31.172 31.823 -0.044 0.000 0.654 150 V HN 0.541 nan 8.190 nan 0.000 0.451 151 K N -0.275 120.069 120.400 -0.095 0.000 2.147 151 K HA -0.152 4.089 4.320 -0.133 0.000 0.205 151 K C 1.181 177.729 176.600 -0.087 0.000 1.049 151 K CA 1.351 57.549 56.287 -0.149 0.000 0.936 151 K CB -0.145 32.157 32.500 -0.329 0.000 0.722 151 K HN 0.471 nan 8.250 nan 0.000 0.446 152 D N -0.810 119.594 120.400 0.007 0.000 2.336 152 D HA 0.084 4.644 4.640 -0.133 0.000 0.228 152 D C 0.757 177.270 176.300 0.355 0.000 1.120 152 D CA 0.429 54.544 54.000 0.191 0.000 0.839 152 D CB 0.911 41.940 40.800 0.382 0.000 0.932 152 D HN 0.399 nan 8.370 nan 0.000 0.509 153 G N 0.435 109.368 108.800 0.222 0.000 2.179 153 G HA2 -0.185 3.696 3.960 -0.133 0.000 0.220 153 G HA3 -0.185 3.696 3.960 -0.133 0.000 0.220 153 G C 0.545 175.558 174.900 0.188 0.000 0.990 153 G CA -0.106 45.102 45.100 0.181 0.000 0.646 153 G HN 0.536 nan 8.290 nan 0.000 0.517 154 A N 0.383 123.334 122.820 0.219 0.000 2.491 154 A HA 0.613 4.853 4.320 -0.133 0.000 0.261 154 A C 1.189 178.778 177.584 0.008 0.000 1.101 154 A CA 0.935 53.023 52.037 0.085 0.000 0.772 154 A CB 0.243 19.099 19.000 -0.239 0.000 1.043 154 A HN 0.345 nan 8.150 nan 0.000 0.501 155 K N 1.248 121.653 120.400 0.007 0.000 2.360 155 K HA 0.122 4.362 4.320 -0.133 0.000 0.196 155 K C 0.450 177.027 176.600 -0.038 0.000 1.049 155 K CA 0.288 56.566 56.287 -0.014 0.000 1.049 155 K CB 0.664 33.162 32.500 -0.003 0.000 0.881 155 K HN 0.701 nan 8.250 nan 0.000 0.542 156 R N 1.133 121.598 120.500 -0.059 0.000 2.515 156 R HA 0.427 4.687 4.340 -0.133 0.000 0.291 156 R C -1.609 174.602 176.300 -0.148 0.000 1.046 156 R CA -0.306 55.741 56.100 -0.089 0.000 0.914 156 R CB 1.148 31.404 30.300 -0.074 0.000 1.191 156 R HN -0.057 nan 8.270 nan 0.000 0.435 157 I N 3.706 124.179 120.570 -0.161 0.000 2.545 157 I HA 0.544 4.635 4.170 -0.133 0.000 0.292 157 I C -0.517 175.473 176.117 -0.211 0.000 1.040 157 I CA -1.106 60.073 61.300 -0.201 0.000 1.068 157 I CB 1.973 39.876 38.000 -0.160 0.000 1.251 157 I HN 0.378 nan 8.210 nan 0.000 0.424 158 R N 4.927 125.259 120.500 -0.279 0.000 2.532 158 R HA 0.576 4.836 4.340 -0.133 0.000 0.297 158 R C -1.369 174.812 176.300 -0.198 0.000 0.984 158 R CA -0.821 55.120 56.100 -0.266 0.000 0.884 158 R CB 2.330 32.424 30.300 -0.343 0.000 1.182 158 R HN 0.300 nan 8.270 nan 0.000 0.442 159 V N 4.195 123.978 119.914 -0.219 0.000 2.435 159 V HA 0.361 4.401 4.120 -0.133 0.000 0.290 159 V C 0.119 176.022 176.094 -0.318 0.000 1.030 159 V CA -0.711 61.500 62.300 -0.149 0.000 0.881 159 V CB 1.573 33.360 31.823 -0.060 0.000 0.983 159 V HN 0.575 nan 8.190 nan 0.000 0.445 160 H N 3.766 122.813 119.070 -0.040 0.000 2.638 160 H HA 0.579 5.057 4.556 -0.130 0.000 0.303 160 H C -0.040 175.200 175.328 -0.146 0.000 1.034 160 H CA -0.283 55.711 56.048 -0.090 0.000 1.225 160 H CB 1.737 31.470 29.762 -0.049 0.000 1.394 160 H HN 0.738 nan 8.280 nan 0.000 0.477 161 A N 5.663 128.383 122.820 -0.167 0.000 2.253 161 A HA 0.400 4.640 4.320 -0.133 0.000 0.316 161 A C 0.086 177.410 177.584 -0.435 0.000 1.327 161 A CA -0.679 51.166 52.037 -0.320 0.000 0.917 161 A CB 0.172 18.915 19.000 -0.430 0.000 1.162 161 A HN 0.656 nan 8.150 nan 0.000 0.535 162 L N 3.394 124.427 121.223 -0.318 0.000 2.260 162 L HA 0.314 4.574 4.340 -0.133 0.000 0.289 162 L C -0.707 176.005 176.870 -0.263 0.000 1.057 162 L CA -0.511 54.190 54.840 -0.232 0.000 0.811 162 L CB 0.252 42.218 42.059 -0.156 0.000 1.184 162 L HN 0.645 nan 8.230 nan 0.000 0.429 163 Y N 1.489 121.836 120.300 0.078 0.000 2.301 163 Y HA 0.042 4.512 4.550 -0.133 0.000 0.328 163 Y C 0.877 176.774 175.900 -0.006 0.000 1.242 163 Y CA -0.046 58.120 58.100 0.110 0.000 1.323 163 Y CB 0.822 39.482 38.460 0.333 0.000 1.266 163 Y HN 0.549 nan 8.280 nan 0.000 0.527 164 D N 0.605 121.101 120.400 0.161 0.000 2.799 164 D HA 0.070 4.630 4.640 -0.133 0.000 0.267 164 D C 1.734 178.036 176.300 0.003 0.000 1.468 164 D CA 1.365 55.372 54.000 0.012 0.000 1.077 164 D CB -0.223 40.562 40.800 -0.026 0.000 1.065 164 D HN 0.741 nan 8.370 nan 0.000 0.359 165 G N 1.138 109.981 108.800 0.071 0.000 2.219 165 G HA2 -0.381 3.500 3.960 -0.133 0.000 0.271 165 G HA3 -0.381 3.500 3.960 -0.133 0.000 0.271 165 G C 1.203 176.123 174.900 0.034 0.000 0.991 165 G CA 1.339 46.473 45.100 0.056 0.000 0.685 165 G HN 0.472 nan 8.290 nan 0.000 0.531 166 R N -0.971 119.525 120.500 -0.008 0.000 2.194 166 R HA 0.129 4.389 4.340 -0.133 0.000 0.194 166 R C 1.089 177.385 176.300 -0.006 0.000 0.985 166 R CA 0.640 56.719 56.100 -0.034 0.000 1.104 166 R CB 0.296 30.482 30.300 -0.189 0.000 1.092 166 R HN 0.243 nan 8.270 nan 0.000 0.555 167 D N 0.737 121.114 120.400 -0.038 0.000 2.349 167 D HA 0.064 4.624 4.640 -0.133 0.000 0.214 167 D C 0.235 176.557 176.300 0.037 0.000 1.063 167 D CA 0.421 54.403 54.000 -0.030 0.000 0.847 167 D CB 1.087 41.854 40.800 -0.056 0.000 0.933 167 D HN 0.122 nan 8.370 nan 0.000 0.513 168 V N -3.414 116.547 119.914 0.078 0.000 3.206 168 V HA 0.589 4.629 4.120 -0.133 0.000 0.305 168 V C -3.061 173.115 176.094 0.136 0.000 1.257 168 V CA -2.609 59.774 62.300 0.139 0.000 1.057 168 V CB 1.876 33.844 31.823 0.242 0.000 1.075 168 V HN -0.366 nan 8.190 nan 0.000 0.443 169 P HA 0.215 nan 4.420 nan 0.000 0.268 169 P C -0.781 176.588 177.300 0.115 0.000 1.205 169 P CA 0.358 63.520 63.100 0.104 0.000 0.771 169 P CB 0.199 31.947 31.700 0.080 0.000 0.858 170 D N 1.649 122.102 120.400 0.089 0.000 2.443 170 D HA 0.268 4.828 4.640 -0.133 0.000 0.239 170 D C 1.474 177.837 176.300 0.105 0.000 1.136 170 D CA 1.875 55.924 54.000 0.082 0.000 0.879 170 D CB -0.030 40.801 40.800 0.052 0.000 1.195 170 D HN 0.616 nan 8.370 nan 0.000 0.443 171 G N 1.689 110.575 108.800 0.144 0.000 2.217 171 G HA2 -0.325 3.555 3.960 -0.133 0.000 0.246 171 G HA3 -0.325 3.555 3.960 -0.133 0.000 0.246 171 G C 1.125 176.183 174.900 0.263 0.000 0.990 171 G CA 0.814 46.058 45.100 0.240 0.000 0.627 171 G HN 0.795 nan 8.290 nan 0.000 0.522 172 S N 1.150 116.959 115.700 0.182 0.000 2.515 172 S HA 0.034 4.425 4.470 -0.133 0.000 0.231 172 S C 2.500 177.191 174.600 0.152 0.000 0.987 172 S CA 1.662 59.904 58.200 0.070 0.000 0.936 172 S CB -0.374 62.847 63.200 0.035 0.000 0.766 172 S HN 1.684 nan 8.310 nan 0.000 0.528 173 S N 1.889 117.776 115.700 0.311 0.000 2.392 173 S HA -0.195 4.196 4.470 -0.133 0.000 0.232 173 S C 1.419 176.061 174.600 0.070 0.000 1.041 173 S CA 1.271 59.638 58.200 0.277 0.000 1.026 173 S CB -1.154 62.017 63.200 -0.049 0.000 0.845 173 S HN 0.513 nan 8.310 nan 0.000 0.465 174 F N 2.064 122.044 119.950 0.050 0.000 2.075 174 F HA 0.065 4.513 4.527 -0.131 0.000 0.297 174 F C 2.937 178.737 175.800 -0.001 0.000 1.113 174 F CA 1.484 59.485 58.000 0.001 0.000 1.218 174 F CB -0.498 38.484 39.000 -0.029 0.000 0.984 174 F HN 0.128 nan 8.300 nan 0.000 0.472 175 R N -0.166 120.387 120.500 0.089 0.000 2.083 175 R HA -0.190 4.070 4.340 -0.133 0.000 0.237 175 R C 2.189 178.480 176.300 -0.014 0.000 1.137 175 R CA 1.912 57.974 56.100 -0.064 0.000 0.951 175 R CB -0.564 29.576 30.300 -0.267 0.000 0.851 175 R HN 0.171 nan 8.270 nan 0.000 0.434 176 F N 0.480 120.548 119.950 0.198 0.000 2.171 176 F HA -0.111 4.336 4.527 -0.132 0.000 0.300 176 F C 2.507 178.444 175.800 0.229 0.000 1.090 176 F CA 1.477 59.610 58.000 0.223 0.000 1.293 176 F CB -0.901 38.235 39.000 0.226 0.000 1.013 176 F HN 0.042 nan 8.300 nan 0.000 0.486 177 T N -0.626 114.157 114.554 0.381 0.000 2.777 177 T HA -0.164 4.106 4.350 -0.133 0.000 0.266 177 T C 1.528 176.335 174.700 0.179 0.000 1.040 177 T CA 1.627 63.897 62.100 0.283 0.000 1.141 177 T CB -0.329 68.657 68.868 0.198 0.000 0.868 177 T HN 0.135 nan 8.240 nan 0.000 0.444 178 D N 1.145 121.632 120.400 0.146 0.000 2.097 178 D HA -0.073 4.487 4.640 -0.133 0.000 0.195 178 D C 2.268 178.609 176.300 0.069 0.000 0.989 178 D CA 1.052 55.107 54.000 0.091 0.000 0.827 178 D CB -0.224 40.621 40.800 0.075 0.000 0.966 178 D HN 0.527 nan 8.370 nan 0.000 0.456 179 E N 0.027 120.290 120.200 0.106 0.000 2.077 179 E HA -0.155 4.115 4.350 -0.133 0.000 0.193 179 E C 2.115 178.668 176.600 -0.080 0.000 0.989 179 E CA 0.325 56.761 56.400 0.059 0.000 0.800 179 E CB -0.087 29.731 29.700 0.197 0.000 0.746 179 E HN 0.112 nan 8.360 nan 0.000 0.452 180 L N 1.720 122.980 121.223 0.061 0.000 2.017 180 L HA -0.177 4.083 4.340 -0.133 0.000 0.208 180 L C 2.019 178.852 176.870 -0.062 0.000 1.073 180 L CA 1.817 56.651 54.840 -0.010 0.000 0.745 180 L CB -0.300 41.887 42.059 0.213 0.000 0.894 180 L HN -0.030 nan 8.230 nan 0.000 0.432 181 E N 0.158 120.360 120.200 0.003 0.000 2.118 181 E HA -0.241 4.029 4.350 -0.133 0.000 0.195 181 E C 2.165 178.738 176.600 -0.045 0.000 0.992 181 E CA 1.434 57.830 56.400 -0.007 0.000 0.804 181 E CB -0.465 29.248 29.700 0.022 0.000 0.741 181 E HN 0.671 nan 8.360 nan 0.000 0.458 182 A N 0.978 123.759 122.820 -0.065 0.000 1.898 182 A HA -0.116 4.125 4.320 -0.133 0.000 0.216 182 A C 2.631 180.146 177.584 -0.116 0.000 1.181 182 A CA 1.264 53.255 52.037 -0.076 0.000 0.620 182 A CB -0.639 18.320 19.000 -0.067 0.000 0.819 182 A HN 0.128 nan 8.150 nan 0.000 0.442 183 V N 0.306 120.095 119.914 -0.208 0.000 2.332 183 V HA -0.275 3.765 4.120 -0.133 0.000 0.248 183 V C 2.580 178.597 176.094 -0.127 0.000 1.055 183 V CA 2.056 64.217 62.300 -0.232 0.000 1.038 183 V CB -0.744 30.791 31.823 -0.478 0.000 0.651 183 V HN 0.574 nan 8.190 nan 0.000 0.450 184 L N -0.125 121.036 121.223 -0.103 0.000 2.056 184 L HA -0.124 4.137 4.340 -0.133 0.000 0.207 184 L C 2.793 179.633 176.870 -0.050 0.000 1.078 184 L CA 1.440 56.243 54.840 -0.061 0.000 0.749 184 L CB -0.964 41.069 42.059 -0.044 0.000 0.901 184 L HN 0.357 nan 8.230 nan 0.000 0.433 185 A N 0.584 123.376 122.820 -0.046 0.000 1.903 185 A HA -0.292 3.948 4.320 -0.133 0.000 0.219 185 A C 2.334 179.896 177.584 -0.036 0.000 1.191 185 A CA 2.223 54.239 52.037 -0.036 0.000 0.638 185 A CB -0.480 18.501 19.000 -0.031 0.000 0.823 185 A HN 0.332 nan 8.150 nan 0.000 0.451 186 K N -0.553 119.821 120.400 -0.044 0.000 2.009 186 K HA -0.137 4.104 4.320 -0.133 0.000 0.210 186 K C 1.949 178.527 176.600 -0.036 0.000 1.049 186 K CA 1.797 58.060 56.287 -0.040 0.000 0.929 186 K CB -0.543 31.930 32.500 -0.045 0.000 0.714 186 K HN 0.561 nan 8.250 nan 0.000 0.440 187 V N -0.700 119.189 119.914 -0.041 0.000 2.626 187 V HA -0.170 3.871 4.120 -0.133 0.000 0.252 187 V C 1.885 177.958 176.094 -0.035 0.000 1.067 187 V CA 1.311 63.588 62.300 -0.038 0.000 1.081 187 V CB -0.562 31.236 31.823 -0.041 0.000 0.686 187 V HN 0.193 nan 8.190 nan 0.000 0.468 188 R N -0.282 120.198 120.500 -0.034 0.000 2.120 188 R HA -0.084 4.176 4.340 -0.133 0.000 0.234 188 R C 2.365 178.650 176.300 -0.025 0.000 1.123 188 R CA 1.551 57.633 56.100 -0.029 0.000 0.975 188 R CB -0.307 29.976 30.300 -0.027 0.000 0.866 188 R HN 0.501 nan 8.270 nan 0.000 0.446 189 Q N -0.042 119.743 119.800 -0.024 0.000 2.435 189 Q HA 0.015 4.276 4.340 -0.133 0.000 0.207 189 Q C 0.481 176.469 176.000 -0.021 0.000 0.956 189 Q CA 0.764 56.554 55.803 -0.021 0.000 0.917 189 Q CB 0.146 28.872 28.738 -0.020 0.000 0.997 189 Q HN 0.244 nan 8.270 nan 0.000 0.497 190 N N -0.530 118.156 118.700 -0.024 0.000 2.273 190 N HA 0.140 4.800 4.740 -0.133 0.000 0.231 190 N C 0.496 175.993 175.510 -0.023 0.000 1.134 190 N CA 0.634 53.669 53.050 -0.024 0.000 0.856 190 N CB 1.179 39.649 38.487 -0.028 0.000 1.068 190 N HN 0.311 nan 8.380 nan 0.000 0.510 191 G N 0.220 109.008 108.800 -0.021 0.000 2.175 191 G HA2 -0.258 3.622 3.960 -0.133 0.000 0.244 191 G HA3 -0.258 3.622 3.960 -0.133 0.000 0.244 191 G C 0.225 175.112 174.900 -0.021 0.000 0.982 191 G CA 0.198 45.287 45.100 -0.019 0.000 0.641 191 G HN 0.475 nan 8.290 nan 0.000 0.527 192 C N 1.505 120.788 119.300 -0.028 0.000 2.330 192 C HA 0.618 4.998 4.460 -0.133 0.000 0.344 192 C C 0.447 175.413 174.990 -0.039 0.000 1.273 192 C CA -0.735 58.262 59.018 -0.035 0.000 1.879 192 C CB 0.853 28.566 27.740 -0.045 0.000 2.376 192 C HN 0.436 nan 8.230 nan 0.000 0.534 193 D N 4.010 124.385 120.400 -0.042 0.000 2.383 193 D HA 0.442 5.003 4.640 -0.133 0.000 0.245 193 D C -0.133 176.131 176.300 -0.061 0.000 1.263 193 D CA 0.376 54.349 54.000 -0.044 0.000 0.936 193 D CB 0.544 41.320 40.800 -0.040 0.000 1.053 193 D HN 0.798 nan 8.370 nan 0.000 0.507 194 A N 2.545 125.330 122.820 -0.057 0.000 2.371 194 A HA 0.856 5.097 4.320 -0.133 0.000 0.311 194 A C -0.953 176.597 177.584 -0.058 0.000 1.068 194 A CA -0.312 51.684 52.037 -0.068 0.000 0.744 194 A CB 1.695 20.657 19.000 -0.063 0.000 1.239 194 A HN 0.657 nan 8.150 nan 0.000 0.435 195 A N 1.673 124.450 122.820 -0.071 0.000 2.608 195 A HA 0.656 4.896 4.320 -0.133 0.000 0.292 195 A C -0.961 176.576 177.584 -0.079 0.000 1.066 195 A CA -0.571 51.432 52.037 -0.056 0.000 0.676 195 A CB 0.473 19.447 19.000 -0.043 0.000 1.277 195 A HN 0.825 nan 8.150 nan 0.000 0.413 196 I N 1.662 122.203 120.570 -0.047 0.000 2.533 196 I HA 0.301 4.391 4.170 -0.133 0.000 0.284 196 I C 1.320 177.377 176.117 -0.100 0.000 1.109 196 I CA 0.359 61.619 61.300 -0.068 0.000 1.412 196 I CB 1.452 39.467 38.000 0.024 0.000 1.396 196 I HN 0.810 nan 8.210 nan 0.000 0.543 197 A N 4.864 127.533 122.820 -0.252 0.000 1.973 197 A HA 0.215 4.455 4.320 -0.133 0.000 0.210 197 A C 0.851 178.320 177.584 -0.192 0.000 1.200 197 A CA 0.858 52.747 52.037 -0.246 0.000 0.707 197 A CB 0.123 18.878 19.000 -0.408 0.000 0.862 197 A HN 0.738 nan 8.150 nan 0.000 0.461 198 S N -3.211 112.309 115.700 -0.300 0.000 2.643 198 S HA 0.722 5.113 4.470 -0.133 0.000 0.270 198 S C -0.331 173.905 174.600 -0.607 0.000 1.166 198 S CA -0.023 57.954 58.200 -0.372 0.000 0.815 198 S CB 1.017 64.179 63.200 -0.063 0.000 1.139 198 S HN 1.510 nan 8.310 nan 0.000 0.472 199 G N -1.334 106.825 108.800 -1.068 0.000 2.606 199 G HA2 0.871 4.751 3.960 -0.133 0.000 0.300 199 G HA3 0.871 4.751 3.960 -0.133 0.000 0.300 199 G C -0.369 174.369 174.900 -0.270 0.000 1.360 199 G CA -0.245 44.456 45.100 -0.666 0.000 0.783 199 G HN 1.951 nan 8.290 nan 0.000 0.484 200 G N -2.152 106.755 108.800 0.177 0.000 2.340 200 G HA2 0.603 4.484 3.960 -0.133 0.000 0.298 200 G HA3 0.603 4.484 3.960 -0.133 0.000 0.298 200 G C -0.280 174.852 174.900 0.386 0.000 1.498 200 G CA 0.323 45.626 45.100 0.338 0.000 0.847 200 G HN 1.515 nan 8.290 nan 0.000 0.594 201 G N -0.639 108.380 108.800 0.364 0.000 2.403 201 G HA2 0.482 4.362 3.960 -0.133 0.000 0.259 201 G HA3 0.482 4.362 3.960 -0.133 0.000 0.259 201 G C 1.134 176.040 174.900 0.010 0.000 1.244 201 G CA 0.253 45.468 45.100 0.191 0.000 0.849 201 G HN 1.027 nan 8.290 nan 0.000 0.532 202 R N 1.947 122.398 120.500 -0.082 0.000 2.127 202 R HA -0.086 4.174 4.340 -0.133 0.000 0.238 202 R C 1.564 177.728 176.300 -0.226 0.000 1.134 202 R CA 1.163 57.162 56.100 -0.167 0.000 0.975 202 R CB -0.167 30.005 30.300 -0.213 0.000 0.865 202 R HN 0.442 nan 8.270 nan 0.000 0.447 203 M N -0.515 118.882 119.600 -0.338 0.000 2.506 203 M HA 0.075 4.475 4.480 -0.133 0.000 0.260 203 M C 1.055 177.258 176.300 -0.162 0.000 1.104 203 M CA 0.780 55.858 55.300 -0.370 0.000 1.112 203 M CB -0.297 31.859 32.600 -0.739 0.000 1.401 203 M HN 0.188 nan 8.290 nan 0.000 0.473 204 F N -0.216 119.566 119.950 -0.280 0.000 2.712 204 F HA 0.261 4.713 4.527 -0.124 0.000 0.297 204 F C 0.134 175.893 175.800 -0.067 0.000 1.114 204 F CA -0.159 57.786 58.000 -0.092 0.000 1.305 204 F CB 0.715 39.714 39.000 -0.001 0.000 1.086 204 F HN -0.308 nan 8.300 nan 0.000 0.599 205 V N 0.631 120.478 119.914 -0.112 0.000 2.525 205 V HA 0.369 4.409 4.120 -0.133 0.000 0.299 205 V C 0.561 176.575 176.094 -0.134 0.000 1.034 205 V CA 0.008 62.215 62.300 -0.155 0.000 0.863 205 V CB 1.033 32.832 31.823 -0.040 0.000 0.999 205 V HN 0.347 nan 8.190 nan 0.000 0.423 206 T N 3.017 117.483 114.554 -0.146 0.000 12.481 206 T HA -0.338 3.933 4.350 -0.133 0.000 0.418 206 T C 0.817 175.420 174.700 -0.162 0.000 1.450 206 T CA 2.399 64.431 62.100 -0.114 0.000 2.393 206 T CB -0.810 68.021 68.868 -0.062 0.000 2.837 206 T HN 0.616 nan 8.240 nan 0.000 0.792 207 M N 2.607 122.097 119.600 -0.183 0.000 3.663 207 M HA 0.229 4.629 4.480 -0.133 0.000 0.198 207 M C 0.129 176.285 176.300 -0.241 0.000 1.365 207 M CA -0.082 55.083 55.300 -0.225 0.000 1.595 207 M CB -0.234 32.207 32.600 -0.266 0.000 1.120 207 M HN 0.259 nan 8.290 nan 0.000 0.522 208 D N 1.917 122.159 120.400 -0.264 0.000 2.357 208 D HA 0.263 4.823 4.640 -0.133 0.000 0.242 208 D C 0.002 176.104 176.300 -0.331 0.000 1.153 208 D CA 0.089 53.917 54.000 -0.286 0.000 0.918 208 D CB 0.832 41.411 40.800 -0.369 0.000 1.181 208 D HN 0.455 nan 8.370 nan 0.000 0.435 209 R N 0.818 121.129 120.500 -0.316 0.000 2.771 209 R HA 0.386 4.647 4.340 -0.133 0.000 0.274 209 R C -0.777 175.348 176.300 -0.290 0.000 0.987 209 R CA -0.884 54.943 56.100 -0.455 0.000 0.908 209 R CB 0.639 30.522 30.300 -0.694 0.000 1.213 209 R HN 0.407 nan 8.270 nan 0.000 0.468 210 Y N 1.025 121.276 120.300 -0.081 0.000 3.491 210 Y HA -0.273 4.195 4.550 -0.136 0.000 0.215 210 Y C -0.347 175.562 175.900 0.015 0.000 1.219 210 Y CA 1.265 59.355 58.100 -0.017 0.000 1.485 210 Y CB -2.452 36.015 38.460 0.011 0.000 1.450 210 Y HN 1.028 nan 8.280 nan 0.000 0.603 211 D N -3.482 116.978 120.400 0.101 0.000 3.012 211 D HA -0.279 4.281 4.640 -0.133 0.000 0.222 211 D C 1.428 177.815 176.300 0.145 0.000 1.167 211 D CA 1.056 55.172 54.000 0.192 0.000 0.854 211 D CB -1.087 39.922 40.800 0.349 0.000 1.107 211 D HN 0.650 nan 8.370 nan 0.000 0.421 212 A N 0.094 122.948 122.820 0.056 0.000 1.902 212 A HA -0.107 4.133 4.320 -0.133 0.000 0.217 212 A C 1.173 178.796 177.584 0.065 0.000 1.181 212 A CA 1.810 53.892 52.037 0.074 0.000 0.623 212 A CB 0.316 19.362 19.000 0.077 0.000 0.818 212 A HN 0.203 nan 8.150 nan 0.000 0.443 213 D N -3.209 117.193 120.400 0.003 0.000 2.634 213 D HA 0.172 4.732 4.640 -0.133 0.000 0.236 213 D C -0.310 175.982 176.300 -0.013 0.000 1.323 213 D CA -0.626 53.391 54.000 0.028 0.000 0.884 213 D CB -0.653 40.154 40.800 0.011 0.000 1.496 213 D HN 0.251 nan 8.370 nan 0.000 0.525 214 W N 1.718 123.015 121.300 -0.005 0.000 2.468 214 W HA -0.129 4.494 4.660 -0.063 0.000 0.262 214 W C 2.498 178.965 176.519 -0.086 0.000 1.241 214 W CA 1.250 58.600 57.345 0.009 0.000 1.232 214 W CB 0.010 29.515 29.460 0.075 0.000 1.124 214 W HN 0.455 nan 8.180 nan 0.000 0.597 215 S N -0.271 115.472 115.700 0.072 0.000 2.442 215 S HA -0.202 4.188 4.470 -0.133 0.000 0.236 215 S C 1.607 176.083 174.600 -0.207 0.000 1.007 215 S CA 1.243 59.394 58.200 -0.082 0.000 0.965 215 S CB -0.679 62.489 63.200 -0.054 0.000 0.773 215 S HN 0.341 nan 8.310 nan 0.000 0.504 216 I N 1.259 121.711 120.570 -0.197 0.000 2.202 216 I HA -0.113 3.978 4.170 -0.133 0.000 0.242 216 I C 2.413 178.382 176.117 -0.247 0.000 1.091 216 I CA 0.991 62.128 61.300 -0.272 0.000 1.368 216 I CB -0.409 37.459 38.000 -0.218 0.000 1.058 216 I HN 0.210 nan 8.210 nan 0.000 0.410 217 V N 0.708 120.501 119.914 -0.202 0.000 2.343 217 V HA -0.297 3.743 4.120 -0.133 0.000 0.247 217 V C 2.434 178.378 176.094 -0.251 0.000 1.051 217 V CA 2.142 64.370 62.300 -0.120 0.000 1.036 217 V CB -0.786 31.066 31.823 0.048 0.000 0.654 217 V HN 0.503 nan 8.190 nan 0.000 0.451 218 E N 1.297 121.134 120.200 -0.604 0.000 2.031 218 E HA -0.283 3.988 4.350 -0.133 0.000 0.193 218 E C 2.458 178.829 176.600 -0.383 0.000 0.994 218 E CA 1.788 57.577 56.400 -1.017 0.000 0.800 218 E CB -0.193 28.936 29.700 -0.953 0.000 0.752 218 E HN 0.714 nan 8.360 nan 0.000 0.447 219 R N -0.141 120.189 120.500 -0.284 0.000 2.152 219 R HA -0.030 4.231 4.340 -0.133 0.000 0.232 219 R C 2.304 178.540 176.300 -0.106 0.000 1.117 219 R CA 1.374 57.367 56.100 -0.178 0.000 0.981 219 R CB -0.690 29.458 30.300 -0.253 0.000 0.870 219 R HN 0.195 nan 8.270 nan 0.000 0.451 220 G N 1.083 109.817 108.800 -0.111 0.000 2.394 220 G HA2 -0.263 3.618 3.960 -0.133 0.000 0.214 220 G HA3 -0.263 3.618 3.960 -0.133 0.000 0.214 220 G C 1.115 176.018 174.900 0.005 0.000 1.176 220 G CA 0.374 45.446 45.100 -0.047 0.000 0.786 220 G HN 0.490 nan 8.290 nan 0.000 0.533 221 W N 1.935 123.151 121.300 -0.139 0.000 2.318 221 W HA -0.109 4.494 4.660 -0.095 0.000 0.313 221 W C 2.525 178.997 176.519 -0.078 0.000 1.221 221 W CA 1.571 58.852 57.345 -0.108 0.000 1.266 221 W CB -0.149 29.309 29.460 -0.004 0.000 1.150 221 W HN 0.181 nan 8.180 nan 0.000 0.496 222 R N 0.070 120.644 120.500 0.124 0.000 2.081 222 R HA -0.129 4.131 4.340 -0.133 0.000 0.235 222 R C 2.504 178.792 176.300 -0.020 0.000 1.131 222 R CA 1.650 57.790 56.100 0.066 0.000 0.960 222 R CB -0.919 29.432 30.300 0.084 0.000 0.856 222 R HN 0.150 nan 8.270 nan 0.000 0.436 223 A N 1.290 124.100 122.820 -0.018 0.000 1.841 223 A HA -0.218 4.022 4.320 -0.133 0.000 0.214 223 A C 2.111 179.671 177.584 -0.040 0.000 1.195 223 A CA 1.288 53.323 52.037 -0.003 0.000 0.611 223 A CB -0.425 18.580 19.000 0.009 0.000 0.835 223 A HN 0.288 nan 8.150 nan 0.000 0.443 224 Q N -0.752 118.975 119.800 -0.121 0.000 1.994 224 Q HA -0.044 4.217 4.340 -0.133 0.000 0.198 224 Q C 2.192 177.996 176.000 -0.326 0.000 0.976 224 Q CA 1.658 57.330 55.803 -0.219 0.000 0.828 224 Q CB -0.311 28.186 28.738 -0.402 0.000 0.894 224 Q HN 0.429 nan 8.270 nan 0.000 0.432 225 V N 0.640 120.228 119.914 -0.544 0.000 2.283 225 V HA -0.173 3.868 4.120 -0.133 0.000 0.243 225 V C 1.953 177.828 176.094 -0.365 0.000 1.039 225 V CA 1.539 63.442 62.300 -0.660 0.000 1.016 225 V CB -0.315 30.637 31.823 -1.452 0.000 0.650 225 V HN 0.315 nan 8.190 nan 0.000 0.449 226 L N 0.012 121.064 121.223 -0.284 0.000 2.477 226 L HA 0.380 4.640 4.340 -0.133 0.000 0.220 226 L C 1.651 178.501 176.870 -0.033 0.000 1.106 226 L CA 0.807 55.585 54.840 -0.105 0.000 0.851 226 L CB -0.418 41.629 42.059 -0.020 0.000 0.994 226 L HN 0.542 nan 8.230 nan 0.000 0.462 227 G N 1.188 109.971 108.800 -0.029 0.000 2.198 227 G HA2 -0.297 3.584 3.960 -0.133 0.000 0.257 227 G HA3 -0.297 3.584 3.960 -0.133 0.000 0.257 227 G C -0.205 174.737 174.900 0.071 0.000 1.042 227 G CA 0.447 45.559 45.100 0.021 0.000 0.791 227 G HN 0.422 nan 8.290 nan 0.000 0.502 228 D N 0.359 120.800 120.400 0.069 0.000 2.473 228 D HA 0.729 5.290 4.640 -0.133 0.000 0.226 228 D C 0.231 176.597 176.300 0.111 0.000 1.089 228 D CA 0.657 54.716 54.000 0.100 0.000 0.883 228 D CB 0.360 41.207 40.800 0.079 0.000 1.029 228 D HN 1.128 nan 8.370 nan 0.000 0.517 229 A N 3.051 125.969 122.820 0.163 0.000 2.515 229 A HA 0.533 4.773 4.320 -0.133 0.000 0.292 229 A C -0.743 176.977 177.584 0.227 0.000 1.065 229 A CA -0.972 51.178 52.037 0.188 0.000 0.641 229 A CB 0.797 19.922 19.000 0.207 0.000 1.306 229 A HN 0.419 nan 8.150 nan 0.000 0.441 230 R N 0.575 121.215 120.500 0.234 0.000 2.570 230 R HA 0.220 4.481 4.340 -0.133 0.000 0.277 230 R C -0.610 175.783 176.300 0.155 0.000 1.039 230 R CA 0.283 56.447 56.100 0.106 0.000 1.065 230 R CB 0.016 30.416 30.300 0.167 0.000 0.964 230 R HN 0.811 nan 8.270 nan 0.000 0.428 231 H N 3.503 122.425 119.070 -0.246 0.000 2.502 231 H HA 0.254 4.729 4.556 -0.134 0.000 0.327 231 H C -0.774 174.161 175.328 -0.654 0.000 1.099 231 H CA -0.517 55.366 56.048 -0.274 0.000 1.323 231 H CB 0.837 30.452 29.762 -0.245 0.000 1.450 231 H HN 0.353 nan 8.280 nan 0.000 0.502 232 F N -0.284 119.649 119.950 -0.028 0.000 2.629 232 F HA 0.179 4.625 4.527 -0.134 0.000 0.316 232 F C 0.966 176.612 175.800 -0.256 0.000 1.081 232 F CA -0.836 57.052 58.000 -0.187 0.000 0.954 232 F CB 1.486 40.355 39.000 -0.219 0.000 1.337 232 F HN 0.614 nan 8.300 nan 0.000 0.474 233 H N -0.504 118.685 119.070 0.198 0.000 2.563 233 H HA 0.224 4.701 4.556 -0.132 0.000 0.264 233 H C 0.090 175.470 175.328 0.085 0.000 0.957 233 H CA 0.775 56.886 56.048 0.105 0.000 1.173 233 H CB 0.571 30.371 29.762 0.064 0.000 1.420 233 H HN 0.432 nan 8.280 nan 0.000 0.551 234 S N -1.487 114.307 115.700 0.158 0.000 2.596 234 S HA 0.570 4.960 4.470 -0.133 0.000 0.270 234 S C 0.850 175.448 174.600 -0.004 0.000 1.155 234 S CA -0.324 57.928 58.200 0.086 0.000 0.827 234 S CB 1.784 65.014 63.200 0.050 0.000 1.130 234 S HN 0.041 nan 8.310 nan 0.000 0.467 235 A N 1.504 124.358 122.820 0.056 0.000 1.898 235 A HA -0.003 4.237 4.320 -0.133 0.000 0.216 235 A C 2.018 179.424 177.584 -0.295 0.000 1.181 235 A CA 1.812 53.853 52.037 0.007 0.000 0.620 235 A CB -0.968 18.205 19.000 0.288 0.000 0.819 235 A HN 0.918 nan 8.150 nan 0.000 0.442 236 K N -0.092 120.206 120.400 -0.170 0.000 2.044 236 K HA -0.262 3.978 4.320 -0.133 0.000 0.210 236 K C 2.098 178.515 176.600 -0.304 0.000 1.049 236 K CA 1.944 58.115 56.287 -0.193 0.000 0.927 236 K CB -0.239 32.241 32.500 -0.033 0.000 0.713 236 K HN 0.637 nan 8.250 nan 0.000 0.443 237 E N -0.084 119.942 120.200 -0.290 0.000 2.058 237 E HA -0.234 4.037 4.350 -0.133 0.000 0.194 237 E C 1.815 177.911 176.600 -0.840 0.000 0.997 237 E CA 1.168 57.366 56.400 -0.337 0.000 0.801 237 E CB -0.186 29.446 29.700 -0.114 0.000 0.746 237 E HN 0.439 nan 8.360 nan 0.000 0.450 238 A N 1.949 123.911 122.820 -1.430 0.000 1.859 238 A HA -0.225 4.015 4.320 -0.133 0.000 0.217 238 A C 2.315 178.809 177.584 -1.816 0.000 1.198 238 A CA 2.163 52.619 52.037 -2.635 0.000 0.629 238 A CB -1.080 16.202 19.000 -2.862 0.000 0.830 238 A HN 0.567 nan 8.150 nan 0.000 0.446 239 I N -3.066 116.752 120.570 -1.254 0.000 2.546 239 I HA -0.110 3.980 4.170 -0.133 0.000 0.255 239 I C 2.046 177.886 176.117 -0.462 0.000 1.163 239 I CA 1.975 62.659 61.300 -1.027 0.000 1.457 239 I CB -1.053 36.062 38.000 -1.475 0.000 1.092 239 I HN 0.158 nan 8.210 nan 0.000 0.434 240 T N 1.168 115.532 114.554 -0.316 0.000 2.777 240 T HA -0.120 4.151 4.350 -0.133 0.000 0.266 240 T C 1.883 176.535 174.700 -0.080 0.000 1.040 240 T CA 2.277 64.386 62.100 0.014 0.000 1.141 240 T CB -0.498 68.386 68.868 0.027 0.000 0.868 240 T HN 0.463 nan 8.240 nan 0.000 0.444 241 T N 1.911 116.292 114.554 -0.289 0.000 2.737 241 T HA -0.010 4.260 4.350 -0.133 0.000 0.265 241 T C 1.619 176.281 174.700 -0.064 0.000 1.038 241 T CA 0.891 62.876 62.100 -0.192 0.000 1.144 241 T CB -0.511 68.230 68.868 -0.212 0.000 0.866 241 T HN 0.209 nan 8.240 nan 0.000 0.434 242 F N 1.856 121.738 119.950 -0.113 0.000 2.120 242 F HA -0.065 4.383 4.527 -0.132 0.000 0.300 242 F C 2.529 178.373 175.800 0.074 0.000 1.095 242 F CA 0.866 58.869 58.000 0.005 0.000 1.249 242 F CB -0.648 38.350 39.000 -0.003 0.000 0.995 242 F HN 0.055 nan 8.300 nan 0.000 0.480 243 R N -0.207 120.463 120.500 0.283 0.000 2.090 243 R HA -0.141 4.120 4.340 -0.133 0.000 0.228 243 R C 2.170 178.554 176.300 0.141 0.000 1.110 243 R CA 1.255 57.493 56.100 0.231 0.000 0.973 243 R CB -0.511 29.960 30.300 0.284 0.000 0.869 243 R HN 0.368 nan 8.270 nan 0.000 0.440 244 E N 1.311 121.575 120.200 0.106 0.000 2.051 244 E HA -0.225 4.046 4.350 -0.133 0.000 0.192 244 E C 1.570 178.215 176.600 0.075 0.000 0.991 244 E CA 1.398 57.840 56.400 0.069 0.000 0.799 244 E CB 0.163 29.889 29.700 0.044 0.000 0.748 244 E HN 0.362 nan 8.360 nan 0.000 0.449 245 E N -0.052 120.209 120.200 0.101 0.000 2.072 245 E HA -0.143 4.128 4.350 -0.133 0.000 0.191 245 E C 0.281 176.935 176.600 0.090 0.000 0.985 245 E CA 0.941 57.403 56.400 0.103 0.000 0.801 245 E CB 0.150 29.938 29.700 0.146 0.000 0.750 245 E HN 0.070 nan 8.360 nan 0.000 0.452 246 D N -0.934 119.529 120.400 0.105 0.000 2.375 246 D HA 0.135 4.695 4.640 -0.133 0.000 0.259 246 D C -2.287 174.054 176.300 0.067 0.000 1.235 246 D CA -2.407 51.634 54.000 0.068 0.000 0.924 246 D CB 1.258 42.089 40.800 0.050 0.000 1.143 246 D HN -0.250 nan 8.370 nan 0.000 0.529 247 P HA -0.087 nan 4.420 nan 0.000 0.226 247 P C 1.039 178.358 177.300 0.032 0.000 1.146 247 P CA 0.691 63.819 63.100 0.047 0.000 0.773 247 P CB 0.379 32.098 31.700 0.031 0.000 0.772 248 K N -0.969 119.439 120.400 0.014 0.000 2.361 248 K HA 0.102 4.343 4.320 -0.133 0.000 0.196 248 K C 0.678 177.266 176.600 -0.019 0.000 1.039 248 K CA 0.068 56.349 56.287 -0.010 0.000 1.001 248 K CB -0.289 32.191 32.500 -0.033 0.000 0.795 248 K HN 0.109 nan 8.250 nan 0.000 0.495 249 V N 2.847 122.757 119.914 -0.005 0.000 2.686 249 V HA 0.086 4.126 4.120 -0.133 0.000 0.295 249 V C 0.210 176.266 176.094 -0.064 0.000 1.055 249 V CA 0.013 62.293 62.300 -0.032 0.000 1.050 249 V CB 1.150 32.972 31.823 -0.002 0.000 0.984 249 V HN 0.470 nan 8.190 nan 0.000 0.482 250 T N 1.607 116.086 114.554 -0.125 0.000 2.927 250 T HA 0.385 4.655 4.350 -0.133 0.000 0.286 250 T C 0.623 174.985 174.700 -0.564 0.000 1.040 250 T CA -0.516 61.465 62.100 -0.198 0.000 1.010 250 T CB 1.322 70.170 68.868 -0.034 0.000 1.177 250 T HN 0.543 nan 8.240 nan 0.000 0.546 251 D N 0.157 120.237 120.400 -0.535 0.000 2.228 251 D HA -0.109 4.451 4.640 -0.133 0.000 0.203 251 D C 2.005 178.090 176.300 -0.358 0.000 0.988 251 D CA 1.366 54.998 54.000 -0.614 0.000 0.864 251 D CB -0.099 40.636 40.800 -0.110 0.000 0.928 251 D HN 0.642 nan 8.370 nan 0.000 0.469 252 Q N -1.196 118.444 119.800 -0.268 0.000 2.230 252 Q HA -0.092 4.168 4.340 -0.133 0.000 0.202 252 Q C 0.812 176.450 176.000 -0.604 0.000 0.963 252 Q CA 0.811 56.385 55.803 -0.383 0.000 0.866 252 Q CB 0.122 28.629 28.738 -0.385 0.000 0.931 252 Q HN 0.461 nan 8.270 nan 0.000 0.452 253 Y N -2.141 118.048 120.300 -0.186 0.000 2.557 253 Y HA 0.142 4.611 4.550 -0.135 0.000 0.247 253 Y C -0.504 175.281 175.900 -0.191 0.000 1.164 253 Y CA -0.908 57.086 58.100 -0.177 0.000 1.218 253 Y CB 0.512 38.816 38.460 -0.260 0.000 1.210 253 Y HN -0.043 nan 8.280 nan 0.000 0.529 254 Y N 2.513 122.788 120.300 -0.042 0.000 2.944 254 Y HA -0.037 4.432 4.550 -0.134 0.000 0.340 254 Y C -1.877 173.918 175.900 -0.174 0.000 1.275 254 Y CA -2.425 55.549 58.100 -0.210 0.000 1.590 254 Y CB -0.497 37.969 38.460 0.010 0.000 1.218 254 Y HN 0.056 nan 8.280 nan 0.000 0.576 255 P HA 0.016 nan 4.420 nan 0.000 0.269 255 P C -2.399 175.065 177.300 0.272 0.000 1.217 255 P CA -0.901 62.208 63.100 0.016 0.000 0.783 255 P CB 0.088 31.655 31.700 -0.222 0.000 0.898 256 P HA 0.142 nan 4.420 nan 0.000 0.269 256 P C -0.958 176.668 177.300 0.543 0.000 1.215 256 P CA 0.447 63.735 63.100 0.314 0.000 0.780 256 P CB 0.167 31.953 31.700 0.144 0.000 0.898 257 F N 0.251 120.415 119.950 0.357 0.000 2.668 257 F HA 0.722 5.170 4.527 -0.132 0.000 0.309 257 F C -1.097 174.869 175.800 0.276 0.000 1.117 257 F CA -1.608 56.635 58.000 0.406 0.000 0.951 257 F CB 0.818 40.175 39.000 0.596 0.000 1.323 257 F HN 0.275 nan 8.300 nan 0.000 0.451 258 I N 0.258 121.058 120.570 0.383 0.000 2.693 258 I HA 0.846 4.936 4.170 -0.133 0.000 0.303 258 I C -1.317 174.995 176.117 0.325 0.000 1.025 258 I CA -1.482 59.932 61.300 0.191 0.000 1.086 258 I CB 2.030 40.086 38.000 0.093 0.000 1.268 258 I HN 0.511 nan 8.210 nan 0.000 0.440 259 V N 5.034 125.066 119.914 0.196 0.000 2.439 259 V HA 0.471 4.512 4.120 -0.133 0.000 0.282 259 V C 0.351 176.453 176.094 0.013 0.000 1.039 259 V CA -0.521 61.875 62.300 0.160 0.000 0.913 259 V CB 1.252 33.171 31.823 0.161 0.000 0.983 259 V HN 0.650 nan 8.190 nan 0.000 0.460 260 V N 1.301 121.185 119.914 -0.051 0.000 2.881 260 V HA 0.771 4.812 4.120 -0.133 0.000 0.316 260 V C -0.177 175.930 176.094 0.022 0.000 1.070 260 V CA -0.886 61.348 62.300 -0.110 0.000 0.976 260 V CB 1.800 33.453 31.823 -0.284 0.000 1.038 260 V HN 0.850 nan 8.190 nan 0.000 0.446 261 D N 1.539 121.955 120.400 0.027 0.000 2.425 261 D HA 0.201 4.761 4.640 -0.133 0.000 0.274 261 D C 0.769 177.142 176.300 0.123 0.000 1.242 261 D CA -0.141 53.904 54.000 0.074 0.000 1.060 261 D CB 0.362 41.181 40.800 0.033 0.000 1.112 261 D HN 0.574 nan 8.370 nan 0.000 0.561 262 E N -1.504 118.743 120.200 0.079 0.000 2.204 262 E HA -0.115 4.155 4.350 -0.133 0.000 0.194 262 E C 1.281 177.920 176.600 0.066 0.000 0.989 262 E CA 1.081 57.518 56.400 0.062 0.000 0.824 262 E CB -0.194 29.516 29.700 0.016 0.000 0.756 262 E HN 0.342 nan 8.360 nan 0.000 0.477 263 Q N 0.095 119.926 119.800 0.051 0.000 2.222 263 Q HA 0.107 4.367 4.340 -0.133 0.000 0.206 263 Q C -0.388 175.638 176.000 0.043 0.000 0.877 263 Q CA 0.267 56.095 55.803 0.041 0.000 0.958 263 Q CB 0.458 29.212 28.738 0.025 0.000 1.075 263 Q HN 0.119 nan 8.270 nan 0.000 0.483 264 D N -0.369 120.063 120.400 0.054 0.000 3.012 264 D HA -0.206 4.354 4.640 -0.133 0.000 0.222 264 D C -0.547 175.707 176.300 -0.076 0.000 1.167 264 D CA 0.859 54.870 54.000 0.018 0.000 0.854 264 D CB -0.310 40.545 40.800 0.092 0.000 1.107 264 D HN 0.221 nan 8.370 nan 0.000 0.421 265 K N 0.390 120.757 120.400 -0.054 0.000 2.201 265 K HA 0.428 4.668 4.320 -0.133 0.000 0.278 265 K C -2.537 174.002 176.600 -0.101 0.000 1.027 265 K CA -1.968 54.280 56.287 -0.065 0.000 0.909 265 K CB 1.042 33.530 32.500 -0.019 0.000 1.062 265 K HN -0.124 nan 8.250 nan 0.000 0.465 266 P HA -0.088 nan 4.420 nan 0.000 0.265 266 P C 0.496 177.775 177.300 -0.035 0.000 1.187 266 P CA 0.253 63.297 63.100 -0.093 0.000 0.766 266 P CB 0.468 32.137 31.700 -0.051 0.000 0.820 267 L N 1.553 122.761 121.223 -0.025 0.000 2.201 267 L HA 0.007 4.268 4.340 -0.133 0.000 0.212 267 L C 1.432 178.304 176.870 0.002 0.000 1.105 267 L CA 1.625 56.456 54.840 -0.014 0.000 0.775 267 L CB -0.629 41.418 42.059 -0.021 0.000 0.913 267 L HN 0.571 nan 8.230 nan 0.000 0.440 268 G N 0.225 109.047 108.800 0.038 0.000 4.613 268 G HA2 0.193 4.073 3.960 -0.133 0.000 0.232 268 G HA3 0.193 4.073 3.960 -0.133 0.000 0.232 268 G C 0.118 175.180 174.900 0.269 0.000 0.947 268 G CA -0.265 44.922 45.100 0.145 0.000 0.715 268 G HN 0.096 nan 8.290 nan 0.000 0.518 269 T N -0.802 113.837 114.554 0.142 0.000 2.855 269 T HA 0.472 4.742 4.350 -0.133 0.000 0.314 269 T C 0.500 175.217 174.700 0.028 0.000 1.077 269 T CA -0.099 62.036 62.100 0.058 0.000 1.095 269 T CB 1.497 70.372 68.868 0.011 0.000 0.987 269 T HN 0.176 nan 8.240 nan 0.000 0.546 270 I N 2.455 122.915 120.570 -0.182 0.000 2.304 270 I HA 0.325 4.415 4.170 -0.133 0.000 0.291 270 I C 0.429 176.480 176.117 -0.110 0.000 1.018 270 I CA -0.614 60.495 61.300 -0.319 0.000 1.260 270 I CB 0.684 38.388 38.000 -0.493 0.000 1.390 270 I HN 0.618 nan 8.210 nan 0.000 0.475 271 E N 4.444 124.640 120.200 -0.006 0.000 2.281 271 E HA 0.326 4.596 4.350 -0.133 0.000 0.262 271 E C -1.062 175.563 176.600 0.042 0.000 0.933 271 E CA -0.966 55.449 56.400 0.026 0.000 0.809 271 E CB 1.276 31.004 29.700 0.046 0.000 1.242 271 E HN 0.356 nan 8.360 nan 0.000 0.418 272 D N 0.157 120.581 120.400 0.039 0.000 2.533 272 D HA 0.199 4.759 4.640 -0.133 0.000 0.236 272 D C 1.191 177.513 176.300 0.036 0.000 1.137 272 D CA 1.703 55.727 54.000 0.041 0.000 0.867 272 D CB 0.417 41.238 40.800 0.034 0.000 1.170 272 D HN 0.725 nan 8.370 nan 0.000 0.474 273 G N 2.133 110.951 108.800 0.030 0.000 2.175 273 G HA2 -0.237 3.643 3.960 -0.133 0.000 0.244 273 G HA3 -0.237 3.643 3.960 -0.133 0.000 0.244 273 G C 0.208 175.120 174.900 0.020 0.000 0.982 273 G CA -0.024 45.083 45.100 0.011 0.000 0.641 273 G HN 0.519 nan 8.290 nan 0.000 0.527 274 D N 0.655 121.089 120.400 0.057 0.000 2.377 274 D HA 0.661 5.221 4.640 -0.133 0.000 0.245 274 D C 0.692 177.038 176.300 0.078 0.000 1.196 274 D CA 0.851 54.914 54.000 0.106 0.000 0.962 274 D CB 1.188 42.109 40.800 0.202 0.000 1.127 274 D HN 0.764 nan 8.370 nan 0.000 0.471 275 A N 0.213 123.104 122.820 0.119 0.000 2.337 275 A HA 0.620 4.860 4.320 -0.133 0.000 0.329 275 A C -0.939 176.697 177.584 0.086 0.000 1.146 275 A CA -0.578 51.507 52.037 0.080 0.000 0.800 275 A CB 1.193 20.285 19.000 0.153 0.000 1.220 275 A HN 0.264 nan 8.150 nan 0.000 0.472 276 V N 2.738 122.637 119.914 -0.024 0.000 2.483 276 V HA 0.441 4.481 4.120 -0.133 0.000 0.297 276 V C -1.057 174.855 176.094 -0.304 0.000 1.027 276 V CA -0.419 61.795 62.300 -0.144 0.000 0.855 276 V CB 1.377 33.002 31.823 -0.329 0.000 0.995 276 V HN 0.814 nan 8.190 nan 0.000 0.424 277 L N 5.787 126.884 121.223 -0.210 0.000 2.305 277 L HA 0.623 4.883 4.340 -0.133 0.000 0.284 277 L C -0.246 176.505 176.870 -0.198 0.000 1.013 277 L CA -0.039 54.667 54.840 -0.224 0.000 0.819 277 L CB 1.145 43.173 42.059 -0.052 0.000 1.227 277 L HN 0.827 nan 8.230 nan 0.000 0.417 278 C N 5.860 125.004 119.300 -0.261 0.000 2.464 278 C HA 0.349 4.729 4.460 -0.133 0.000 0.370 278 C C 1.795 176.815 174.990 0.050 0.000 1.267 278 C CA -0.165 58.834 59.018 -0.031 0.000 1.781 278 C CB -0.591 27.233 27.740 0.141 0.000 2.431 278 C HN 0.789 nan 8.230 nan 0.000 0.556 279 V N 3.753 123.685 119.914 0.029 0.000 3.461 279 V HA 0.159 4.200 4.120 -0.133 0.000 0.267 279 V C 0.799 176.911 176.094 0.030 0.000 1.186 279 V CA 0.531 62.854 62.300 0.038 0.000 1.154 279 V CB -1.096 30.727 31.823 0.002 0.000 0.802 279 V HN 0.840 nan 8.190 nan 0.000 0.474 280 N N 2.131 120.833 118.700 0.004 0.000 2.475 280 N HA 0.317 4.977 4.740 -0.133 0.000 0.267 280 N C 0.304 175.859 175.510 0.076 0.000 1.169 280 N CA -0.124 52.859 53.050 -0.112 0.000 0.947 280 N CB 0.842 39.240 38.487 -0.148 0.000 1.061 280 N HN 0.558 nan 8.380 nan 0.000 0.466 281 F N 0.158 120.197 119.950 0.148 0.000 2.619 281 F HA 0.309 4.757 4.527 -0.131 0.000 0.293 281 F C 0.979 176.896 175.800 0.195 0.000 1.119 281 F CA -0.413 57.702 58.000 0.191 0.000 1.445 281 F CB -0.100 38.945 39.000 0.074 0.000 1.119 281 F HN 0.215 nan 8.300 nan 0.000 0.573 282 R N 1.135 121.608 120.500 -0.045 0.000 2.308 282 R HA 0.435 4.695 4.340 -0.133 0.000 0.305 282 R C 1.251 177.527 176.300 -0.040 0.000 1.053 282 R CA 0.325 56.421 56.100 -0.006 0.000 0.957 282 R CB 1.181 31.287 30.300 -0.323 0.000 1.022 282 R HN 0.293 nan 8.270 nan 0.000 0.461 283 G N 2.782 111.628 108.800 0.077 0.000 2.492 283 G HA2 -0.194 3.686 3.960 -0.133 0.000 0.214 283 G HA3 -0.194 3.686 3.960 -0.133 0.000 0.214 283 G C 0.863 175.683 174.900 -0.133 0.000 1.147 283 G CA 0.471 45.497 45.100 -0.122 0.000 0.809 283 G HN 0.870 nan 8.290 nan 0.000 0.533 284 D N 1.391 121.818 120.400 0.045 0.000 2.158 284 D HA -0.175 4.385 4.640 -0.133 0.000 0.197 284 D C 2.023 178.175 176.300 -0.247 0.000 0.995 284 D CA 0.820 54.754 54.000 -0.111 0.000 0.846 284 D CB -0.457 40.305 40.800 -0.063 0.000 0.941 284 D HN 0.330 nan 8.370 nan 0.000 0.456 285 R N -0.155 120.253 120.500 -0.154 0.000 2.334 285 R HA 0.150 4.410 4.340 -0.133 0.000 0.216 285 R C 1.332 177.486 176.300 -0.244 0.000 0.905 285 R CA 0.480 56.447 56.100 -0.222 0.000 1.064 285 R CB 0.764 30.931 30.300 -0.221 0.000 1.046 285 R HN 0.314 nan 8.270 nan 0.000 0.508 286 V N -3.972 115.771 119.914 -0.286 0.000 3.432 286 V HA 0.210 4.251 4.120 -0.133 0.000 0.298 286 V C 1.468 177.449 176.094 -0.190 0.000 1.464 286 V CA -0.058 62.081 62.300 -0.269 0.000 1.046 286 V CB -0.079 31.540 31.823 -0.340 0.000 0.887 286 V HN 0.044 nan 8.190 nan 0.000 0.441 287 I N 1.270 121.736 120.570 -0.175 0.000 2.226 287 I HA -0.186 3.904 4.170 -0.133 0.000 0.245 287 I C 2.684 178.838 176.117 0.062 0.000 1.100 287 I CA 2.241 63.546 61.300 0.009 0.000 1.374 287 I CB -0.066 37.935 38.000 0.001 0.000 1.057 287 I HN 0.379 nan 8.210 nan 0.000 0.413 288 E N 0.281 120.442 120.200 -0.065 0.000 2.072 288 E HA -0.260 4.010 4.350 -0.133 0.000 0.191 288 E C 2.206 178.858 176.600 0.086 0.000 0.985 288 E CA 1.307 57.642 56.400 -0.108 0.000 0.801 288 E CB -0.167 29.046 29.700 -0.811 0.000 0.750 288 E HN 0.453 nan 8.360 nan 0.000 0.452 289 M N 0.879 120.514 119.600 0.057 0.000 2.117 289 M HA -0.184 4.216 4.480 -0.133 0.000 0.262 289 M C 2.007 178.465 176.300 0.263 0.000 1.065 289 M CA 1.602 57.026 55.300 0.208 0.000 1.114 289 M CB -0.181 32.564 32.600 0.243 0.000 1.361 289 M HN 0.024 nan 8.290 nan 0.000 0.408 290 T N 0.736 115.427 114.554 0.227 0.000 2.665 290 T HA -0.190 4.080 4.350 -0.133 0.000 0.268 290 T C 1.722 176.425 174.700 0.005 0.000 1.035 290 T CA 1.885 64.045 62.100 0.100 0.000 1.151 290 T CB -0.391 68.661 68.868 0.306 0.000 0.862 290 T HN 0.497 nan 8.240 nan 0.000 0.438 291 R N 0.909 121.472 120.500 0.105 0.000 2.091 291 R HA -0.027 4.233 4.340 -0.133 0.000 0.238 291 R C 2.833 178.979 176.300 -0.257 0.000 1.136 291 R CA 1.351 57.505 56.100 0.088 0.000 0.959 291 R CB -0.532 29.980 30.300 0.353 0.000 0.856 291 R HN 0.391 nan 8.270 nan 0.000 0.437 292 A N 0.323 122.863 122.820 -0.466 0.000 1.933 292 A HA -0.152 4.089 4.320 -0.133 0.000 0.218 292 A C 1.924 178.984 177.584 -0.873 0.000 1.175 292 A CA 1.231 52.480 52.037 -1.313 0.000 0.628 292 A CB -0.572 17.853 19.000 -0.958 0.000 0.814 292 A HN 0.257 nan 8.150 nan 0.000 0.444 293 F N -0.372 119.412 119.950 -0.277 0.000 2.293 293 F HA -0.036 4.419 4.527 -0.120 0.000 0.297 293 F C 2.565 178.241 175.800 -0.206 0.000 1.089 293 F CA 1.533 59.453 58.000 -0.133 0.000 1.377 293 F CB 0.182 38.952 39.000 -0.383 0.000 1.051 293 F HN 0.265 nan 8.300 nan 0.000 0.511 294 E N -0.941 119.210 120.200 -0.082 0.000 2.330 294 E HA 0.004 4.275 4.350 -0.133 0.000 0.200 294 E C -0.253 176.330 176.600 -0.029 0.000 0.922 294 E CA 0.063 56.442 56.400 -0.035 0.000 0.935 294 E CB 0.105 29.787 29.700 -0.029 0.000 0.917 294 E HN 0.172 nan 8.360 nan 0.000 0.491 295 D N 2.156 122.512 120.400 -0.072 0.000 2.371 295 D HA 0.011 4.571 4.640 -0.133 0.000 0.256 295 D C 0.994 177.277 176.300 -0.028 0.000 1.193 295 D CA 0.228 54.220 54.000 -0.013 0.000 0.881 295 D CB 0.977 41.821 40.800 0.074 0.000 1.143 295 D HN -0.006 nan 8.370 nan 0.000 0.473 296 E N 0.861 121.060 120.200 -0.003 0.000 2.152 296 E HA -0.118 4.153 4.350 -0.133 0.000 0.192 296 E C 0.018 176.613 176.600 -0.008 0.000 0.983 296 E CA 0.762 57.157 56.400 -0.007 0.000 0.818 296 E CB 0.271 29.973 29.700 0.003 0.000 0.758 296 E HN 0.324 nan 8.360 nan 0.000 0.467 297 D N -0.177 120.223 120.400 0.001 0.000 2.485 297 D HA 0.203 4.763 4.640 -0.133 0.000 0.229 297 D C -1.662 174.635 176.300 -0.005 0.000 1.101 297 D CA -0.395 53.594 54.000 -0.018 0.000 0.906 297 D CB -0.273 40.508 40.800 -0.031 0.000 1.019 297 D HN -0.142 nan 8.370 nan 0.000 0.516 298 F N 3.218 123.031 119.950 -0.228 0.000 2.536 298 F HA 0.357 4.840 4.527 -0.074 0.000 0.322 298 F C 0.280 175.852 175.800 -0.380 0.000 1.144 298 F CA -0.645 57.154 58.000 -0.335 0.000 0.924 298 F CB 1.467 40.218 39.000 -0.416 0.000 1.181 298 F HN 0.039 nan 8.300 nan 0.000 0.438 299 N N 3.460 121.598 118.700 -0.937 0.000 2.159 299 N HA 0.093 4.753 4.740 -0.133 0.000 0.217 299 N C 1.193 176.187 175.510 -0.860 0.000 1.223 299 N CA 0.174 52.809 53.050 -0.692 0.000 0.896 299 N CB 0.344 38.557 38.487 -0.455 0.000 1.064 299 N HN 0.466 nan 8.380 nan 0.000 0.518 300 K N 0.031 119.520 120.400 -1.518 0.000 2.148 300 K HA 0.045 4.286 4.320 -0.133 0.000 0.204 300 K C 0.167 176.483 176.600 -0.473 0.000 1.050 300 K CA 0.824 56.380 56.287 -1.218 0.000 0.942 300 K CB 0.028 31.346 32.500 -1.969 0.000 0.724 300 K HN 0.331 nan 8.250 nan 0.000 0.446 301 F N -2.268 117.415 119.950 -0.446 0.000 2.773 301 F HA 0.329 4.737 4.527 -0.197 0.000 0.314 301 F C -1.250 174.490 175.800 -0.100 0.000 1.160 301 F CA -1.850 56.051 58.000 -0.164 0.000 0.920 301 F CB 0.594 39.568 39.000 -0.042 0.000 1.323 301 F HN -0.339 nan 8.300 nan 0.000 0.457 302 D N 1.358 121.849 120.400 0.151 0.000 2.352 302 D HA 0.266 4.826 4.640 -0.133 0.000 0.245 302 D C 0.849 177.227 176.300 0.131 0.000 1.224 302 D CA -0.032 54.002 54.000 0.057 0.000 0.879 302 D CB 0.990 41.830 40.800 0.067 0.000 1.057 302 D HN 0.640 nan 8.370 nan 0.000 0.491 303 R N 2.323 122.749 120.500 -0.123 0.000 2.237 303 R HA -0.039 4.221 4.340 -0.133 0.000 0.219 303 R C 1.438 177.904 176.300 0.277 0.000 1.080 303 R CA 0.373 56.378 56.100 -0.157 0.000 0.995 303 R CB 0.067 29.980 30.300 -0.646 0.000 0.875 303 R HN 0.389 nan 8.270 nan 0.000 0.462 304 V N -1.075 118.931 119.914 0.154 0.000 0.516 304 V HA -0.423 3.617 4.120 -0.133 0.000 0.092 304 V C 0.485 176.660 176.094 0.134 0.000 2.243 304 V CA 2.338 64.727 62.300 0.149 0.000 3.573 304 V CB -0.759 31.171 31.823 0.177 0.000 0.862 304 V HN 0.597 nan 8.190 nan 0.000 0.902 305 R N -0.362 120.259 120.500 0.203 0.000 2.564 305 R HA 0.634 4.895 4.340 -0.133 0.000 0.284 305 R C -1.601 174.843 176.300 0.240 0.000 1.031 305 R CA -0.441 55.755 56.100 0.161 0.000 0.904 305 R CB 2.354 32.722 30.300 0.113 0.000 1.199 305 R HN 0.171 nan 8.270 nan 0.000 0.443 306 V N 6.177 126.192 119.914 0.169 0.000 2.311 306 V HA 0.381 4.422 4.120 -0.133 0.000 0.275 306 V C -1.842 174.340 176.094 0.146 0.000 1.022 306 V CA -1.583 60.840 62.300 0.204 0.000 0.830 306 V CB 0.984 32.863 31.823 0.093 0.000 1.012 306 V HN 0.769 nan 8.190 nan 0.000 0.452 307 P HA 0.252 nan 4.420 nan 0.000 0.275 307 P C -0.625 176.749 177.300 0.124 0.000 1.227 307 P CA -0.496 62.663 63.100 0.098 0.000 0.781 307 P CB 0.909 32.643 31.700 0.056 0.000 0.906 308 K N 1.805 122.259 120.400 0.090 0.000 2.262 308 K HA 0.330 4.570 4.320 -0.133 0.000 0.288 308 K C 0.153 176.804 176.600 0.086 0.000 1.090 308 K CA -0.430 55.910 56.287 0.089 0.000 0.918 308 K CB 0.174 32.712 32.500 0.062 0.000 1.139 308 K HN 0.319 nan 8.250 nan 0.000 0.462 309 V N -0.151 119.834 119.914 0.118 0.000 2.962 309 V HA 0.505 4.545 4.120 -0.133 0.000 0.313 309 V C -0.467 175.692 176.094 0.109 0.000 1.099 309 V CA -1.417 60.943 62.300 0.099 0.000 0.971 309 V CB 1.951 33.847 31.823 0.121 0.000 1.028 309 V HN 0.566 nan 8.190 nan 0.000 0.430 310 R N 2.060 122.568 120.500 0.013 0.000 2.210 310 R HA 0.414 4.674 4.340 -0.133 0.000 0.338 310 R C -1.448 174.932 176.300 0.133 0.000 1.062 310 R CA -0.267 55.811 56.100 -0.036 0.000 0.902 310 R CB 0.880 30.823 30.300 -0.596 0.000 1.050 310 R HN 0.854 nan 8.270 nan 0.000 0.461 311 Y N 1.969 122.381 120.300 0.187 0.000 2.360 311 Y HA 0.560 5.034 4.550 -0.127 0.000 0.337 311 Y C -0.891 175.120 175.900 0.186 0.000 1.039 311 Y CA -0.658 57.491 58.100 0.081 0.000 1.109 311 Y CB 1.567 40.025 38.460 -0.003 0.000 1.201 311 Y HN 0.672 nan 8.280 nan 0.000 0.458 312 A N 3.436 126.026 122.820 -0.383 0.000 2.539 312 A HA 0.775 5.015 4.320 -0.133 0.000 0.296 312 A C -0.713 176.623 177.584 -0.413 0.000 1.073 312 A CA -0.336 51.591 52.037 -0.184 0.000 0.700 312 A CB 1.068 20.084 19.000 0.026 0.000 1.296 312 A HN 1.085 nan 8.150 nan 0.000 0.405 313 G N -0.377 108.350 108.800 -0.122 0.000 2.461 313 G HA2 0.481 4.362 3.960 -0.133 0.000 0.329 313 G HA3 0.481 4.362 3.960 -0.133 0.000 0.329 313 G C 0.571 175.477 174.900 0.010 0.000 1.170 313 G CA -0.177 44.885 45.100 -0.063 0.000 0.935 313 G HN 0.816 nan 8.290 nan 0.000 0.492 314 M N 0.352 120.026 119.600 0.124 0.000 2.202 314 M HA 0.182 4.582 4.480 -0.133 0.000 0.262 314 M C 0.919 177.305 176.300 0.144 0.000 1.063 314 M CA 1.453 56.846 55.300 0.155 0.000 1.097 314 M CB -0.303 32.442 32.600 0.241 0.000 1.382 314 M HN 0.538 nan 8.290 nan 0.000 0.413 315 M N -1.211 118.424 119.600 0.059 0.000 2.622 315 M HA 0.348 4.748 4.480 -0.133 0.000 0.276 315 M C -1.028 175.023 176.300 -0.414 0.000 1.265 315 M CA -0.841 54.450 55.300 -0.016 0.000 0.850 315 M CB 1.816 34.485 32.600 0.114 0.000 1.720 315 M HN -0.164 nan 8.290 nan 0.000 0.465 316 R N 1.204 121.308 120.500 -0.660 0.000 2.442 316 R HA 0.138 4.398 4.340 -0.133 0.000 0.291 316 R C -0.690 175.435 176.300 -0.292 0.000 1.069 316 R CA 0.428 56.054 56.100 -0.789 0.000 1.022 316 R CB 0.466 30.079 30.300 -1.146 0.000 0.976 316 R HN 0.676 nan 8.270 nan 0.000 0.443 317 Y N 0.132 120.426 120.300 -0.009 0.000 2.503 317 Y HA 0.166 4.637 4.550 -0.133 0.000 0.277 317 Y C 0.302 176.300 175.900 0.163 0.000 1.102 317 Y CA -0.120 58.039 58.100 0.098 0.000 1.261 317 Y CB 0.506 39.031 38.460 0.109 0.000 1.096 317 Y HN 0.437 nan 8.280 nan 0.000 0.546 318 D N -0.973 119.570 120.400 0.239 0.000 2.470 318 D HA 0.263 4.823 4.640 -0.133 0.000 0.233 318 D C 0.963 177.347 176.300 0.141 0.000 1.372 318 D CA 0.083 54.238 54.000 0.258 0.000 0.994 318 D CB 1.409 42.326 40.800 0.194 0.000 1.377 318 D HN 0.216 nan 8.370 nan 0.000 0.586 319 G N 2.495 111.368 108.800 0.121 0.000 2.404 319 G HA2 -0.224 3.656 3.960 -0.133 0.000 0.215 319 G HA3 -0.224 3.656 3.960 -0.133 0.000 0.215 319 G C 1.055 175.999 174.900 0.074 0.000 1.174 319 G CA 0.516 45.644 45.100 0.047 0.000 0.780 319 G HN 0.442 nan 8.290 nan 0.000 0.537 320 D N 0.351 120.817 120.400 0.111 0.000 2.178 320 D HA -0.037 4.523 4.640 -0.133 0.000 0.201 320 D C 2.347 178.704 176.300 0.095 0.000 0.980 320 D CA 0.598 54.659 54.000 0.102 0.000 0.842 320 D CB -0.072 40.805 40.800 0.128 0.000 0.948 320 D HN 0.310 nan 8.370 nan 0.000 0.472 321 L N -0.938 120.350 121.223 0.108 0.000 2.585 321 L HA 0.241 4.501 4.340 -0.133 0.000 0.226 321 L C 0.994 177.917 176.870 0.088 0.000 1.113 321 L CA 0.107 55.004 54.840 0.095 0.000 0.876 321 L CB 0.132 42.252 42.059 0.102 0.000 1.072 321 L HN 0.039 nan 8.230 nan 0.000 0.468 322 G N 2.021 110.871 108.800 0.085 0.000 2.333 322 G HA2 -0.275 3.606 3.960 -0.133 0.000 0.296 322 G HA3 -0.275 3.606 3.960 -0.133 0.000 0.296 322 G C -0.157 174.802 174.900 0.099 0.000 1.059 322 G CA -0.009 45.141 45.100 0.084 0.000 1.050 322 G HN 0.319 nan 8.290 nan 0.000 0.508 323 I N 0.781 121.411 120.570 0.100 0.000 2.389 323 I HA 0.327 4.417 4.170 -0.133 0.000 0.288 323 I C -2.072 174.095 176.117 0.083 0.000 0.999 323 I CA -2.650 58.734 61.300 0.140 0.000 1.129 323 I CB 2.318 40.429 38.000 0.185 0.000 1.288 323 I HN -0.048 nan 8.210 nan 0.000 0.444 324 P HA 0.282 nan 4.420 nan 0.000 0.277 324 P C -0.120 177.299 177.300 0.199 0.000 1.271 324 P CA -0.439 62.781 63.100 0.199 0.000 0.795 324 P CB 0.724 32.622 31.700 0.330 0.000 1.101 325 N N -0.771 118.034 118.700 0.175 0.000 2.223 325 N HA -0.120 4.540 4.740 -0.133 0.000 0.185 325 N C -0.184 175.372 175.510 0.078 0.000 1.016 325 N CA 1.110 54.228 53.050 0.112 0.000 0.863 325 N CB -0.352 38.161 38.487 0.042 0.000 0.983 325 N HN 0.467 nan 8.380 nan 0.000 0.429 326 N N -0.575 118.168 118.700 0.071 0.000 2.258 326 N HA 0.468 5.128 4.740 -0.133 0.000 0.299 326 N C -1.549 174.011 175.510 0.083 0.000 1.047 326 N CA -0.776 52.215 53.050 -0.098 0.000 0.814 326 N CB 1.626 39.934 38.487 -0.298 0.000 1.413 326 N HN 0.051 nan 8.380 nan 0.000 0.478 327 F N -1.408 118.504 119.950 -0.062 0.000 2.654 327 F HA 0.500 4.947 4.527 -0.134 0.000 0.308 327 F C -0.262 175.522 175.800 -0.028 0.000 1.108 327 F CA -1.104 56.850 58.000 -0.076 0.000 0.957 327 F CB 0.990 39.906 39.000 -0.139 0.000 1.309 327 F HN 0.190 nan 8.300 nan 0.000 0.446 328 L N 0.797 122.099 121.223 0.132 0.000 2.127 328 L HA 0.226 4.487 4.340 -0.133 0.000 0.203 328 L C 0.009 176.915 176.870 0.061 0.000 1.080 328 L CA 0.706 55.583 54.840 0.062 0.000 0.768 328 L CB -0.065 42.037 42.059 0.071 0.000 0.924 328 L HN 0.447 nan 8.230 nan 0.000 0.444 329 V N 0.088 120.106 119.914 0.173 0.000 2.487 329 V HA 0.337 4.377 4.120 -0.133 0.000 0.298 329 V C -2.373 173.876 176.094 0.259 0.000 1.028 329 V CA -1.736 60.641 62.300 0.128 0.000 0.860 329 V CB 1.546 33.384 31.823 0.024 0.000 0.991 329 V HN -0.041 nan 8.190 nan 0.000 0.427 330 P HA 0.211 nan 4.420 nan 0.000 0.268 330 P C -2.494 174.826 177.300 0.033 0.000 1.205 330 P CA -0.814 62.424 63.100 0.230 0.000 0.771 330 P CB 0.023 31.826 31.700 0.172 0.000 0.858 331 P HA 0.300 nan 4.420 nan 0.000 0.276 331 P C -2.542 174.726 177.300 -0.053 0.000 1.261 331 P CA -2.035 61.021 63.100 -0.074 0.000 0.800 331 P CB -0.900 30.727 31.700 -0.121 0.000 1.066 332 P HA 0.075 nan 4.420 nan 0.000 0.262 332 P C -0.204 177.063 177.300 -0.054 0.000 1.182 332 P CA 0.378 63.441 63.100 -0.062 0.000 0.761 332 P CB 0.026 31.681 31.700 -0.075 0.000 0.795 333 K N 4.458 124.830 120.400 -0.046 0.000 2.278 333 K HA 0.190 4.430 4.320 -0.133 0.000 0.289 333 K C -0.851 175.721 176.600 -0.045 0.000 1.080 333 K CA 0.303 56.567 56.287 -0.038 0.000 0.934 333 K CB -0.935 31.549 32.500 -0.026 0.000 1.093 333 K HN 0.373 nan 8.250 nan 0.000 0.459 334 L N 4.951 126.145 121.223 -0.049 0.000 2.276 334 L HA 0.435 4.695 4.340 -0.133 0.000 0.286 334 L C 0.140 176.992 176.870 -0.029 0.000 1.024 334 L CA -0.720 54.089 54.840 -0.053 0.000 0.826 334 L CB 1.322 43.336 42.059 -0.076 0.000 1.211 334 L HN 0.706 nan 8.230 nan 0.000 0.422 335 T N -0.941 113.607 114.554 -0.010 0.000 2.916 335 T HA 0.514 4.784 4.350 -0.133 0.000 0.292 335 T C 0.204 174.937 174.700 0.054 0.000 1.064 335 T CA -0.973 61.134 62.100 0.012 0.000 1.011 335 T CB 1.704 70.579 68.868 0.012 0.000 1.152 335 T HN 0.599 nan 8.240 nan 0.000 0.510 336 R N 0.060 120.590 120.500 0.050 0.000 3.251 336 R HA -0.109 4.151 4.340 -0.133 0.000 0.249 336 R C 0.538 177.002 176.300 0.273 0.000 0.949 336 R CA 0.512 56.673 56.100 0.102 0.000 0.645 336 R CB -2.374 28.042 30.300 0.193 0.000 1.065 336 R HN 0.842 nan 8.270 nan 0.000 0.452 337 V N -1.726 118.287 119.914 0.164 0.000 3.185 337 V HA 0.145 4.185 4.120 -0.133 0.000 0.305 337 V C 1.834 178.139 176.094 0.351 0.000 1.090 337 V CA 0.336 62.747 62.300 0.185 0.000 1.107 337 V CB 1.790 33.653 31.823 0.067 0.000 1.061 337 V HN 0.424 nan 8.190 nan 0.000 0.480 338 S N -0.176 115.746 115.700 0.369 0.000 2.383 338 S HA -0.251 4.139 4.470 -0.133 0.000 0.229 338 S C 1.653 176.506 174.600 0.421 0.000 1.030 338 S CA 1.603 60.095 58.200 0.487 0.000 1.002 338 S CB -0.716 62.776 63.200 0.488 0.000 0.829 338 S HN 0.973 nan 8.310 nan 0.000 0.467 339 E N 1.540 121.958 120.200 0.363 0.000 2.153 339 E HA -0.140 4.130 4.350 -0.133 0.000 0.194 339 E C 2.005 178.715 176.600 0.184 0.000 0.988 339 E CA 1.511 58.091 56.400 0.301 0.000 0.811 339 E CB -0.246 29.638 29.700 0.307 0.000 0.746 339 E HN 0.783 nan 8.360 nan 0.000 0.466 340 E N -1.032 119.244 120.200 0.127 0.000 2.072 340 E HA -0.191 4.079 4.350 -0.133 0.000 0.191 340 E C 1.822 178.369 176.600 -0.089 0.000 0.985 340 E CA 1.126 57.515 56.400 -0.018 0.000 0.801 340 E CB -0.194 29.436 29.700 -0.116 0.000 0.750 340 E HN 0.410 nan 8.360 nan 0.000 0.452 341 Y N 0.957 121.263 120.300 0.009 0.000 2.200 341 Y HA -0.165 4.305 4.550 -0.133 0.000 0.290 341 Y C 2.172 178.003 175.900 -0.115 0.000 1.137 341 Y CA 0.899 58.957 58.100 -0.069 0.000 1.163 341 Y CB -0.220 38.176 38.460 -0.107 0.000 0.988 341 Y HN -0.001 nan 8.280 nan 0.000 0.518 342 L N -1.598 119.691 121.223 0.110 0.000 1.976 342 L HA -0.273 3.988 4.340 -0.133 0.000 0.209 342 L C 2.409 179.237 176.870 -0.069 0.000 1.071 342 L CA 1.337 56.187 54.840 0.016 0.000 0.746 342 L CB -0.979 41.164 42.059 0.140 0.000 0.890 342 L HN 0.300 nan 8.230 nan 0.000 0.432 343 C N 0.215 119.497 119.300 -0.031 0.000 2.425 343 C HA -0.077 4.303 4.460 -0.133 0.000 0.277 343 C C 2.861 177.733 174.990 -0.197 0.000 1.280 343 C CA 0.703 59.648 59.018 -0.121 0.000 1.744 343 C CB -1.624 26.137 27.740 0.035 0.000 1.989 343 C HN 0.718 nan 8.230 nan 0.000 0.491 344 G N -0.016 108.717 108.800 -0.112 0.000 2.448 344 G HA2 -0.143 3.737 3.960 -0.133 0.000 0.219 344 G HA3 -0.143 3.737 3.960 -0.133 0.000 0.219 344 G C 1.590 176.418 174.900 -0.120 0.000 1.127 344 G CA 1.108 46.144 45.100 -0.107 0.000 0.766 344 G HN 0.583 nan 8.290 nan 0.000 0.552 345 S N -0.249 115.354 115.700 -0.162 0.000 2.577 345 S HA 0.383 4.774 4.470 -0.133 0.000 0.219 345 S C 1.642 176.146 174.600 -0.161 0.000 0.962 345 S CA 0.556 58.653 58.200 -0.172 0.000 0.921 345 S CB 0.289 63.283 63.200 -0.343 0.000 0.789 345 S HN 1.122 nan 8.310 nan 0.000 0.497 346 G N 1.562 110.194 108.800 -0.281 0.000 2.143 346 G HA2 -0.216 3.664 3.960 -0.133 0.000 0.249 346 G HA3 -0.216 3.664 3.960 -0.133 0.000 0.249 346 G C -0.041 174.705 174.900 -0.257 0.000 0.981 346 G CA -0.277 44.617 45.100 -0.342 0.000 0.665 346 G HN 0.460 nan 8.290 nan 0.000 0.528 347 L N 0.483 121.578 121.223 -0.213 0.000 2.371 347 L HA 0.358 4.618 4.340 -0.133 0.000 0.272 347 L C 0.550 177.467 176.870 0.079 0.000 1.124 347 L CA -0.586 54.249 54.840 -0.009 0.000 0.816 347 L CB 0.806 42.883 42.059 0.031 0.000 1.129 347 L HN 0.113 nan 8.230 nan 0.000 0.448 348 N N 3.016 121.845 118.700 0.214 0.000 2.421 348 N HA 0.536 5.196 4.740 -0.133 0.000 0.285 348 N C -1.007 174.721 175.510 0.362 0.000 1.027 348 N CA -0.425 52.821 53.050 0.326 0.000 0.918 348 N CB 1.987 40.651 38.487 0.294 0.000 1.152 348 N HN 0.390 nan 8.380 nan 0.000 0.485 349 I N 2.463 123.237 120.570 0.340 0.000 2.465 349 I HA 0.337 4.428 4.170 -0.133 0.000 0.291 349 I C -0.891 175.297 176.117 0.118 0.000 1.014 349 I CA -0.817 60.613 61.300 0.215 0.000 1.093 349 I CB 1.737 39.828 38.000 0.152 0.000 1.267 349 I HN 0.362 nan 8.210 nan 0.000 0.431 350 F N 6.040 125.801 119.950 -0.315 0.000 2.444 350 F HA 0.811 5.259 4.527 -0.132 0.000 0.342 350 F C -0.351 175.300 175.800 -0.248 0.000 1.121 350 F CA -0.417 57.276 58.000 -0.512 0.000 0.997 350 F CB 1.199 39.493 39.000 -1.177 0.000 1.130 350 F HN 0.470 nan 8.300 nan 0.000 0.454 351 A N 5.265 127.762 122.820 -0.537 0.000 2.371 351 A HA 0.752 4.993 4.320 -0.133 0.000 0.311 351 A C -1.553 175.671 177.584 -0.600 0.000 1.068 351 A CA -0.588 51.156 52.037 -0.490 0.000 0.744 351 A CB 1.152 19.858 19.000 -0.491 0.000 1.239 351 A HN 0.996 nan 8.150 nan 0.000 0.435 352 C N 1.715 120.765 119.300 -0.417 0.000 2.782 352 C HA 0.907 5.287 4.460 -0.133 0.000 0.328 352 C C -0.208 174.679 174.990 -0.171 0.000 1.145 352 C CA 0.253 59.125 59.018 -0.243 0.000 1.358 352 C CB 0.856 28.507 27.740 -0.148 0.000 1.841 352 C HN 1.395 nan 8.230 nan 0.000 0.477 353 S N 1.867 117.541 115.700 -0.042 0.000 2.790 353 S HA 0.646 5.037 4.470 -0.133 0.000 0.292 353 S C -1.281 173.302 174.600 -0.028 0.000 1.197 353 S CA -0.335 57.817 58.200 -0.079 0.000 0.851 353 S CB 1.560 64.696 63.200 -0.107 0.000 1.217 353 S HN 0.960 nan 8.310 nan 0.000 0.526 354 E N 0.118 120.291 120.200 -0.045 0.000 2.280 354 E HA 0.427 4.697 4.350 -0.133 0.000 0.261 354 E C 0.573 177.160 176.600 -0.023 0.000 1.088 354 E CA -0.443 55.931 56.400 -0.044 0.000 0.915 354 E CB 0.104 29.782 29.700 -0.036 0.000 1.141 354 E HN 0.472 nan 8.360 nan 0.000 0.433 355 T N 0.557 115.099 114.554 -0.020 0.000 2.649 355 T HA -0.214 4.057 4.350 -0.133 0.000 0.268 355 T C 1.591 176.363 174.700 0.120 0.000 1.036 355 T CA 1.708 63.827 62.100 0.031 0.000 1.157 355 T CB -0.224 68.680 68.868 0.061 0.000 0.861 355 T HN 0.407 nan 8.240 nan 0.000 0.445 356 Q N 0.281 120.130 119.800 0.082 0.000 2.291 356 Q HA 0.010 4.271 4.340 -0.133 0.000 0.205 356 Q C 1.556 177.552 176.000 -0.007 0.000 0.970 356 Q CA 0.997 56.858 55.803 0.098 0.000 0.876 356 Q CB 0.067 28.809 28.738 0.008 0.000 0.935 356 Q HN 0.415 nan 8.270 nan 0.000 0.455 357 K N -1.046 119.284 120.400 -0.118 0.000 2.447 357 K HA 0.106 4.346 4.320 -0.133 0.000 0.205 357 K C 1.121 177.552 176.600 -0.282 0.000 1.059 357 K CA -0.320 55.779 56.287 -0.312 0.000 1.065 357 K CB 0.137 32.518 32.500 -0.197 0.000 0.885 357 K HN 0.047 nan 8.250 nan 0.000 0.545 358 F N 1.902 121.597 119.950 -0.425 0.000 2.126 358 F HA -0.104 4.344 4.527 -0.132 0.000 0.299 358 F C 1.846 177.259 175.800 -0.644 0.000 1.096 358 F CA 2.014 59.724 58.000 -0.483 0.000 1.255 358 F CB -0.311 38.446 39.000 -0.405 0.000 0.997 358 F HN 0.092 nan 8.300 nan 0.000 0.479 359 G N -1.747 106.332 108.800 -1.201 0.000 2.484 359 G HA2 -0.222 3.659 3.960 -0.133 0.000 0.218 359 G HA3 -0.222 3.659 3.960 -0.133 0.000 0.218 359 G C 1.224 175.740 174.900 -0.640 0.000 1.130 359 G CA 0.828 45.217 45.100 -1.185 0.000 0.784 359 G HN 0.427 nan 8.290 nan 0.000 0.543 360 H N -0.353 118.320 119.070 -0.661 0.000 2.326 360 H HA 0.017 4.493 4.556 -0.133 0.000 0.301 360 H C 2.538 177.616 175.328 -0.417 0.000 1.081 360 H CA 1.030 56.775 56.048 -0.506 0.000 1.334 360 H CB -0.598 28.888 29.762 -0.460 0.000 1.385 360 H HN 0.162 nan 8.280 nan 0.000 0.504 361 V N 0.959 120.691 119.914 -0.302 0.000 3.380 361 V HA -0.091 3.950 4.120 -0.133 0.000 0.268 361 V C 1.612 177.422 176.094 -0.473 0.000 1.168 361 V CA 1.820 63.956 62.300 -0.274 0.000 1.156 361 V CB -0.519 31.095 31.823 -0.348 0.000 0.785 361 V HN 0.783 nan 8.190 nan 0.000 0.487 362 T N -3.575 110.621 114.554 -0.598 0.000 3.478 362 T HA -0.002 4.268 4.350 -0.133 0.000 0.223 362 T C 1.650 176.204 174.700 -0.243 0.000 0.958 362 T CA 0.787 62.458 62.100 -0.714 0.000 1.324 362 T CB -0.702 67.345 68.868 -1.367 0.000 1.262 362 T HN 0.226 nan 8.240 nan 0.000 0.379 363 Y N 1.687 121.762 120.300 -0.375 0.000 2.030 363 Y HA -0.122 4.351 4.550 -0.128 0.000 0.274 363 Y C 2.129 178.059 175.900 0.049 0.000 1.153 363 Y CA 1.648 59.648 58.100 -0.165 0.000 1.115 363 Y CB -0.767 37.541 38.460 -0.253 0.000 0.969 363 Y HN 0.187 nan 8.280 nan 0.000 0.488 364 F N -0.715 119.231 119.950 -0.006 0.000 2.095 364 F HA -0.287 4.162 4.527 -0.131 0.000 0.298 364 F C 2.494 178.296 175.800 0.003 0.000 1.104 364 F CA 1.126 59.086 58.000 -0.067 0.000 1.232 364 F CB -1.680 37.290 39.000 -0.050 0.000 0.987 364 F HN 0.393 nan 8.300 nan 0.000 0.475 365 W N 1.450 122.821 121.300 0.117 0.000 2.342 365 W HA -0.223 4.356 4.660 -0.134 0.000 0.297 365 W C 0.970 177.511 176.519 0.036 0.000 1.213 365 W CA 1.629 59.029 57.345 0.091 0.000 1.251 365 W CB -0.473 29.012 29.460 0.042 0.000 1.136 365 W HN -0.012 nan 8.180 nan 0.000 0.526 366 N N -0.033 118.799 118.700 0.219 0.000 2.362 366 N HA 0.111 4.772 4.740 -0.133 0.000 0.211 366 N C 0.904 176.405 175.510 -0.015 0.000 1.170 366 N CA 1.200 54.324 53.050 0.123 0.000 0.828 366 N CB -0.374 38.196 38.487 0.138 0.000 1.034 366 N HN 0.166 nan 8.380 nan 0.000 0.475 367 G N 1.673 110.431 108.800 -0.070 0.000 2.248 367 G HA2 -0.330 3.550 3.960 -0.133 0.000 0.263 367 G HA3 -0.330 3.550 3.960 -0.133 0.000 0.263 367 G C -0.064 174.711 174.900 -0.209 0.000 1.082 367 G CA -0.078 44.953 45.100 -0.115 0.000 0.863 367 G HN 0.341 nan 8.290 nan 0.000 0.495 368 N N -1.646 116.809 118.700 -0.408 0.000 2.738 368 N HA -0.167 4.493 4.740 -0.133 0.000 0.249 368 N C 0.303 175.348 175.510 -0.775 0.000 1.047 368 N CA 1.703 54.187 53.050 -0.944 0.000 0.707 368 N CB -0.690 37.597 38.487 -0.333 0.000 0.937 368 N HN 0.916 nan 8.380 nan 0.000 0.545 369 R N 0.012 120.193 120.500 -0.531 0.000 2.288 369 R HA 0.298 4.558 4.340 -0.133 0.000 0.326 369 R C 1.223 177.657 176.300 0.224 0.000 0.959 369 R CA -0.059 56.010 56.100 -0.052 0.000 0.834 369 R CB 0.813 31.114 30.300 0.002 0.000 1.157 369 R HN 0.335 nan 8.270 nan 0.000 0.470 370 S N 1.191 117.177 115.700 0.477 0.000 2.414 370 S HA -0.016 4.374 4.470 -0.133 0.000 0.227 370 S C 1.139 175.892 174.600 0.254 0.000 1.022 370 S CA 0.237 58.703 58.200 0.444 0.000 0.958 370 S CB 0.166 63.524 63.200 0.263 0.000 0.797 370 S HN 0.579 nan 8.310 nan 0.000 0.493 371 G N 1.412 110.330 108.800 0.197 0.000 2.467 371 G HA2 0.370 4.250 3.960 -0.133 0.000 0.257 371 G HA3 0.370 4.250 3.960 -0.133 0.000 0.257 371 G C -0.568 174.425 174.900 0.154 0.000 1.227 371 G CA -0.785 44.403 45.100 0.146 0.000 0.835 371 G HN 0.293 nan 8.290 nan 0.000 0.556 372 K N 1.195 121.668 120.400 0.121 0.000 2.489 372 K HA 0.025 4.265 4.320 -0.133 0.000 0.278 372 K C 1.112 177.759 176.600 0.077 0.000 1.000 372 K CA -0.070 56.268 56.287 0.086 0.000 1.012 372 K CB 1.222 33.687 32.500 -0.059 0.000 0.903 372 K HN 0.401 nan 8.250 nan 0.000 0.485 373 I N 0.828 121.459 120.570 0.101 0.000 2.546 373 I HA -0.175 3.915 4.170 -0.133 0.000 0.255 373 I C 0.531 176.685 176.117 0.062 0.000 1.163 373 I CA 1.024 62.375 61.300 0.085 0.000 1.457 373 I CB 0.136 38.203 38.000 0.112 0.000 1.092 373 I HN 0.607 nan 8.210 nan 0.000 0.434 374 D N -0.342 120.089 120.400 0.050 0.000 2.369 374 D HA 0.021 4.582 4.640 -0.133 0.000 0.212 374 D C 0.655 176.952 176.300 -0.006 0.000 1.326 374 D CA -0.154 53.877 54.000 0.051 0.000 0.933 374 D CB 0.963 41.841 40.800 0.130 0.000 1.516 374 D HN -0.077 nan 8.370 nan 0.000 0.557 375 E N 2.424 122.598 120.200 -0.042 0.000 2.118 375 E HA -0.211 4.059 4.350 -0.133 0.000 0.195 375 E C 1.409 177.943 176.600 -0.109 0.000 0.992 375 E CA 0.876 57.222 56.400 -0.089 0.000 0.804 375 E CB 0.243 29.903 29.700 -0.068 0.000 0.741 375 E HN 0.530 nan 8.360 nan 0.000 0.458 376 K N 0.094 120.413 120.400 -0.135 0.000 2.211 376 K HA -0.128 4.113 4.320 -0.133 0.000 0.203 376 K C 1.384 177.766 176.600 -0.363 0.000 1.050 376 K CA 1.073 57.193 56.287 -0.279 0.000 0.945 376 K CB 0.139 32.399 32.500 -0.399 0.000 0.732 376 K HN 0.168 nan 8.250 nan 0.000 0.451 377 H N -0.472 118.602 119.070 0.007 0.000 2.893 377 H HA 0.274 4.750 4.556 -0.133 0.000 0.270 377 H C -0.497 174.860 175.328 0.048 0.000 1.095 377 H CA -0.001 56.074 56.048 0.044 0.000 1.186 377 H CB 0.754 30.545 29.762 0.048 0.000 1.562 377 H HN 0.193 nan 8.280 nan 0.000 0.536 378 E N 1.072 121.291 120.200 0.033 0.000 2.224 378 E HA 0.351 4.622 4.350 -0.133 0.000 0.265 378 E C -0.716 175.728 176.600 -0.259 0.000 0.878 378 E CA -0.461 55.872 56.400 -0.112 0.000 0.759 378 E CB 2.297 31.823 29.700 -0.290 0.000 1.164 378 E HN -0.077 nan 8.360 nan 0.000 0.414 379 T N 3.246 117.699 114.554 -0.167 0.000 2.840 379 T HA 0.447 4.717 4.350 -0.133 0.000 0.287 379 T C -1.067 173.524 174.700 -0.181 0.000 0.991 379 T CA -0.616 61.395 62.100 -0.148 0.000 0.964 379 T CB 0.186 69.159 68.868 0.174 0.000 0.954 379 T HN 0.167 nan 8.240 nan 0.000 0.438 380 F N 2.445 122.285 119.950 -0.183 0.000 2.450 380 F HA 0.676 5.122 4.527 -0.135 0.000 0.332 380 F C 0.413 176.108 175.800 -0.175 0.000 1.093 380 F CA -1.912 55.965 58.000 -0.205 0.000 1.003 380 F CB 1.623 40.650 39.000 0.046 0.000 1.151 380 F HN 0.328 nan 8.300 nan 0.000 0.474 381 K N 2.011 122.377 120.400 -0.056 0.000 2.426 381 K HA 0.341 4.582 4.320 -0.133 0.000 0.254 381 K C -1.187 175.319 176.600 -0.156 0.000 0.936 381 K CA -0.459 55.770 56.287 -0.097 0.000 0.801 381 K CB 1.714 34.168 32.500 -0.077 0.000 1.139 381 K HN 0.770 nan 8.250 nan 0.000 0.424 382 E N 4.316 124.248 120.200 -0.448 0.000 2.113 382 E HA 0.220 4.490 4.350 -0.133 0.000 0.273 382 E C -1.179 175.244 176.600 -0.297 0.000 0.924 382 E CA -0.820 55.188 56.400 -0.654 0.000 0.764 382 E CB 1.424 30.395 29.700 -1.213 0.000 1.104 382 E HN 0.351 nan 8.360 nan 0.000 0.406 383 V N 7.179 126.989 119.914 -0.173 0.000 2.465 383 V HA 0.291 4.332 4.120 -0.133 0.000 0.279 383 V C -2.003 174.041 176.094 -0.083 0.000 1.045 383 V CA -1.682 60.564 62.300 -0.091 0.000 0.938 383 V CB 1.236 33.037 31.823 -0.037 0.000 0.986 383 V HN 0.700 nan 8.190 nan 0.000 0.467 384 P HA 0.190 nan 4.420 nan 0.000 0.276 384 P C -0.273 177.043 177.300 0.026 0.000 1.235 384 P CA -0.098 62.990 63.100 -0.020 0.000 0.772 384 P CB 0.841 32.536 31.700 -0.008 0.000 0.871 385 S N 2.049 117.785 115.700 0.060 0.000 2.593 385 S HA 0.116 4.506 4.470 -0.133 0.000 0.269 385 S C 0.230 174.942 174.600 0.186 0.000 1.334 385 S CA -0.335 57.945 58.200 0.132 0.000 1.015 385 S CB 0.029 63.341 63.200 0.187 0.000 0.912 385 S HN 0.447 nan 8.310 nan 0.000 0.541 386 D N 1.523 122.085 120.400 0.270 0.000 2.382 386 D HA 0.075 4.635 4.640 -0.133 0.000 0.245 386 D C 0.155 176.563 176.300 0.179 0.000 1.120 386 D CA 0.259 54.386 54.000 0.211 0.000 0.890 386 D CB 0.454 41.382 40.800 0.213 0.000 1.201 386 D HN 0.315 nan 8.370 nan 0.000 0.433 387 R N 1.236 121.773 120.500 0.062 0.000 2.870 387 R HA 0.368 4.629 4.340 -0.133 0.000 0.254 387 R C -0.601 175.639 176.300 -0.100 0.000 1.392 387 R CA -0.295 55.799 56.100 -0.010 0.000 1.322 387 R CB 0.436 30.750 30.300 0.022 0.000 1.205 387 R HN 0.141 nan 8.270 nan 0.000 0.597 388 V N 1.384 121.129 119.914 -0.282 0.000 3.242 388 V HA 0.148 4.189 4.120 -0.133 0.000 0.298 388 V C -1.222 174.515 176.094 -0.595 0.000 1.352 388 V CA -0.878 61.236 62.300 -0.309 0.000 1.052 388 V CB 2.787 34.504 31.823 -0.177 0.000 1.101 388 V HN 0.563 nan 8.190 nan 0.000 0.446 389 Q N 2.446 122.011 119.800 -0.391 0.000 2.297 389 Q HA 0.232 4.493 4.340 -0.133 0.000 0.267 389 Q C -0.156 175.684 176.000 -0.266 0.000 1.006 389 Q CA 0.142 55.739 55.803 -0.344 0.000 0.896 389 Q CB 0.803 29.389 28.738 -0.252 0.000 1.186 389 Q HN 0.690 nan 8.270 nan 0.000 0.392 390 F N 1.640 121.632 119.950 0.071 0.000 2.502 390 F HA -0.156 4.290 4.527 -0.134 0.000 0.298 390 F C 2.051 177.883 175.800 0.053 0.000 1.111 390 F CA 0.538 58.578 58.000 0.067 0.000 1.445 390 F CB -0.318 38.736 39.000 0.090 0.000 1.081 390 F HN 0.628 nan 8.300 nan 0.000 0.558 391 N N 1.072 119.874 118.700 0.171 0.000 2.272 391 N HA -0.222 4.439 4.740 -0.133 0.000 0.185 391 N C 1.209 176.762 175.510 0.071 0.000 1.014 391 N CA 1.468 54.584 53.050 0.110 0.000 0.870 391 N CB -0.658 37.875 38.487 0.076 0.000 0.975 391 N HN 0.412 nan 8.380 nan 0.000 0.433 392 E N 0.222 120.447 120.200 0.043 0.000 2.216 392 E HA 0.059 4.329 4.350 -0.133 0.000 0.192 392 E C 0.188 176.817 176.600 0.049 0.000 0.988 392 E CA 0.684 57.096 56.400 0.020 0.000 0.834 392 E CB 0.143 29.828 29.700 -0.025 0.000 0.772 392 E HN 0.385 nan 8.360 nan 0.000 0.479 393 K N 0.629 121.090 120.400 0.101 0.000 3.029 393 K HA 0.135 4.375 4.320 -0.133 0.000 0.169 393 K C -2.272 174.419 176.600 0.151 0.000 1.090 393 K CA -0.963 55.394 56.287 0.117 0.000 0.883 393 K CB 1.596 34.173 32.500 0.128 0.000 1.080 393 K HN -0.071 nan 8.250 nan 0.000 0.613 394 P HA -0.105 nan 4.420 nan 0.000 0.229 394 P C 0.615 177.946 177.300 0.053 0.000 1.160 394 P CA 0.638 63.797 63.100 0.100 0.000 0.777 394 P CB 0.302 32.046 31.700 0.073 0.000 0.814 395 R N -1.275 119.248 120.500 0.038 0.000 2.189 395 R HA 0.092 4.352 4.340 -0.133 0.000 0.218 395 R C 1.518 177.828 176.300 0.016 0.000 1.074 395 R CA 0.340 56.443 56.100 0.006 0.000 0.991 395 R CB -0.566 29.733 30.300 -0.002 0.000 0.883 395 R HN 0.162 nan 8.270 nan 0.000 0.457 396 M N -0.455 119.175 119.600 0.049 0.000 7.319 396 M HA -0.340 4.060 4.480 -0.133 0.000 0.213 396 M C 0.154 176.479 176.300 0.042 0.000 0.480 396 M CA 1.583 56.907 55.300 0.039 0.000 1.311 396 M CB -0.790 31.769 32.600 -0.067 0.000 0.421 396 M HN 0.055 nan 8.290 nan 0.000 0.606 397 Q N 0.565 120.386 119.800 0.035 0.000 2.211 397 Q HA 0.198 4.458 4.340 -0.133 0.000 0.231 397 Q C 1.518 177.577 176.000 0.097 0.000 0.865 397 Q CA 0.850 56.685 55.803 0.053 0.000 0.997 397 Q CB 0.138 28.897 28.738 0.035 0.000 1.101 397 Q HN 0.757 nan 8.270 nan 0.000 0.468 398 S N -0.052 115.712 115.700 0.107 0.000 2.374 398 S HA -0.212 4.178 4.470 -0.133 0.000 0.227 398 S C 2.006 176.694 174.600 0.147 0.000 1.037 398 S CA 1.164 59.466 58.200 0.171 0.000 1.024 398 S CB -0.187 62.970 63.200 -0.071 0.000 0.861 398 S HN 0.393 nan 8.310 nan 0.000 0.456 399 A N 2.255 125.109 122.820 0.056 0.000 1.877 399 A HA 0.259 4.499 4.320 -0.133 0.000 0.216 399 A C 2.558 180.177 177.584 0.058 0.000 1.186 399 A CA 1.944 54.004 52.037 0.038 0.000 0.620 399 A CB -1.473 17.535 19.000 0.013 0.000 0.822 399 A HN 0.891 nan 8.150 nan 0.000 0.443 400 A N -0.386 122.469 122.820 0.059 0.000 1.929 400 A HA 0.038 4.279 4.320 -0.133 0.000 0.216 400 A C 2.101 179.720 177.584 0.058 0.000 1.176 400 A CA 1.303 53.368 52.037 0.048 0.000 0.628 400 A CB -0.533 18.488 19.000 0.035 0.000 0.816 400 A HN 0.485 nan 8.150 nan 0.000 0.444 401 I N -0.477 120.142 120.570 0.082 0.000 2.202 401 I HA -0.214 3.876 4.170 -0.133 0.000 0.242 401 I C 2.583 178.738 176.117 0.063 0.000 1.091 401 I CA 1.704 63.030 61.300 0.043 0.000 1.368 401 I CB -0.667 37.317 38.000 -0.027 0.000 1.058 401 I HN 0.226 nan 8.210 nan 0.000 0.410 402 T N -0.037 114.622 114.554 0.174 0.000 2.684 402 T HA -0.265 4.006 4.350 -0.133 0.000 0.267 402 T C 1.826 176.557 174.700 0.052 0.000 1.036 402 T CA 1.745 63.934 62.100 0.148 0.000 1.148 402 T CB -0.292 68.659 68.868 0.139 0.000 0.863 402 T HN 0.435 nan 8.240 nan 0.000 0.436 403 E N 0.781 121.005 120.200 0.040 0.000 2.077 403 E HA -0.143 4.127 4.350 -0.133 0.000 0.193 403 E C 2.410 179.009 176.600 -0.000 0.000 0.989 403 E CA 1.040 57.448 56.400 0.014 0.000 0.800 403 E CB -0.207 29.503 29.700 0.016 0.000 0.746 403 E HN 0.477 nan 8.360 nan 0.000 0.452 404 A N 1.250 124.085 122.820 0.026 0.000 1.902 404 A HA -0.113 4.128 4.320 -0.133 0.000 0.217 404 A C 2.404 179.943 177.584 -0.076 0.000 1.181 404 A CA 1.891 53.951 52.037 0.038 0.000 0.623 404 A CB -0.792 18.311 19.000 0.172 0.000 0.818 404 A HN 0.420 nan 8.150 nan 0.000 0.443 405 A N -0.111 122.695 122.820 -0.023 0.000 1.902 405 A HA -0.075 4.165 4.320 -0.133 0.000 0.217 405 A C 2.132 179.640 177.584 -0.126 0.000 1.181 405 A CA 1.525 53.512 52.037 -0.083 0.000 0.623 405 A CB -0.603 18.376 19.000 -0.034 0.000 0.818 405 A HN 0.501 nan 8.150 nan 0.000 0.443 406 I N -0.592 119.934 120.570 -0.073 0.000 2.226 406 I HA -0.266 3.824 4.170 -0.133 0.000 0.245 406 I C 2.499 178.567 176.117 -0.081 0.000 1.100 406 I CA 1.628 62.893 61.300 -0.059 0.000 1.374 406 I CB -0.495 37.485 38.000 -0.034 0.000 1.057 406 I HN 0.423 nan 8.210 nan 0.000 0.413 407 E N 0.951 121.090 120.200 -0.102 0.000 2.070 407 E HA -0.270 4.001 4.350 -0.133 0.000 0.197 407 E C 2.327 178.831 176.600 -0.160 0.000 1.004 407 E CA 1.596 57.929 56.400 -0.112 0.000 0.805 407 E CB -0.231 29.408 29.700 -0.102 0.000 0.744 407 E HN 0.535 nan 8.360 nan 0.000 0.451 408 A N 0.905 123.520 122.820 -0.341 0.000 1.877 408 A HA -0.174 4.066 4.320 -0.133 0.000 0.216 408 A C 2.201 179.759 177.584 -0.044 0.000 1.186 408 A CA 1.128 52.948 52.037 -0.363 0.000 0.620 408 A CB -0.705 17.609 19.000 -1.144 0.000 0.822 408 A HN 0.149 nan 8.150 nan 0.000 0.443 409 L N -0.779 120.398 121.223 -0.076 0.000 2.012 409 L HA -0.233 4.028 4.340 -0.133 0.000 0.210 409 L C 2.534 179.406 176.870 0.004 0.000 1.073 409 L CA 1.924 56.762 54.840 -0.003 0.000 0.748 409 L CB -0.378 41.676 42.059 -0.010 0.000 0.891 409 L HN 0.357 nan 8.230 nan 0.000 0.431 410 K N -0.510 119.879 120.400 -0.019 0.000 2.296 410 K HA -0.073 4.167 4.320 -0.133 0.000 0.200 410 K C 2.273 178.860 176.600 -0.021 0.000 1.048 410 K CA 1.151 57.429 56.287 -0.015 0.000 0.966 410 K CB -0.011 32.478 32.500 -0.019 0.000 0.754 410 K HN 0.360 nan 8.250 nan 0.000 0.466 411 S N 0.115 115.799 115.700 -0.026 0.000 2.399 411 S HA -0.094 4.296 4.470 -0.133 0.000 0.231 411 S C 1.714 176.271 174.600 -0.071 0.000 1.022 411 S CA 1.137 59.307 58.200 -0.050 0.000 0.983 411 S CB -0.495 62.668 63.200 -0.062 0.000 0.803 411 S HN 0.439 nan 8.310 nan 0.000 0.480 412 G N 0.886 109.656 108.800 -0.050 0.000 2.168 412 G HA2 -0.284 3.597 3.960 -0.133 0.000 0.263 412 G HA3 -0.284 3.597 3.960 -0.133 0.000 0.263 412 G C 0.604 175.439 174.900 -0.110 0.000 0.977 412 G CA 0.663 45.734 45.100 -0.049 0.000 0.659 412 G HN 0.557 nan 8.290 nan 0.000 0.533 413 M N -1.159 118.285 119.600 -0.259 0.000 2.509 413 M HA 0.297 4.698 4.480 -0.133 0.000 0.250 413 M C 0.261 176.236 176.300 -0.542 0.000 1.132 413 M CA 0.661 55.679 55.300 -0.470 0.000 1.080 413 M CB 0.344 32.503 32.600 -0.735 0.000 1.408 413 M HN 0.293 nan 8.290 nan 0.000 0.484 414 Y N -0.754 119.570 120.300 0.040 0.000 2.429 414 Y HA 0.285 4.755 4.550 -0.133 0.000 0.342 414 Y C 0.657 176.601 175.900 0.074 0.000 1.004 414 Y CA -0.970 57.174 58.100 0.073 0.000 1.075 414 Y CB 0.818 39.327 38.460 0.081 0.000 1.214 414 Y HN -0.014 nan 8.280 nan 0.000 0.455 415 N N 0.159 119.014 118.700 0.258 0.000 2.409 415 N HA 0.098 4.758 4.740 -0.133 0.000 0.174 415 N C -0.865 174.757 175.510 0.186 0.000 1.037 415 N CA 0.424 53.593 53.050 0.199 0.000 0.898 415 N CB 0.623 39.229 38.487 0.199 0.000 1.010 415 N HN 0.204 nan 8.380 nan 0.000 0.445 416 V N 1.219 121.246 119.914 0.189 0.000 2.588 416 V HA 0.406 4.446 4.120 -0.133 0.000 0.304 416 V C -0.800 175.335 176.094 0.069 0.000 1.042 416 V CA -0.852 61.508 62.300 0.099 0.000 0.877 416 V CB 2.315 34.170 31.823 0.053 0.000 0.996 416 V HN -0.232 nan 8.190 nan 0.000 0.425 417 V N 5.422 125.345 119.914 0.016 0.000 2.350 417 V HA 0.555 4.595 4.120 -0.133 0.000 0.285 417 V C -0.062 175.980 176.094 -0.087 0.000 1.014 417 V CA -0.643 61.658 62.300 0.002 0.000 0.831 417 V CB 1.503 33.326 31.823 -0.000 0.000 1.000 417 V HN 0.860 nan 8.190 nan 0.000 0.433 418 R N 6.027 126.430 120.500 -0.163 0.000 2.393 418 R HA 0.801 5.062 4.340 -0.133 0.000 0.315 418 R C -1.001 175.100 176.300 -0.332 0.000 0.952 418 R CA -0.477 55.418 56.100 -0.342 0.000 0.842 418 R CB 1.381 31.325 30.300 -0.594 0.000 1.163 418 R HN 0.866 nan 8.270 nan 0.000 0.450 419 I N 0.478 120.855 120.570 -0.321 0.000 2.934 419 I HA 0.562 4.653 4.170 -0.133 0.000 0.306 419 I C -1.407 174.499 176.117 -0.352 0.000 1.110 419 I CA -1.159 59.929 61.300 -0.354 0.000 1.019 419 I CB 2.453 40.203 38.000 -0.417 0.000 1.227 419 I HN 0.461 nan 8.210 nan 0.000 0.434 420 N N 3.449 121.944 118.700 -0.342 0.000 2.354 420 N HA 0.440 5.101 4.740 -0.133 0.000 0.287 420 N C -2.022 173.309 175.510 -0.298 0.000 1.016 420 N CA -0.419 52.512 53.050 -0.198 0.000 0.871 420 N CB 1.597 40.081 38.487 -0.005 0.000 1.299 420 N HN 0.531 nan 8.380 nan 0.000 0.482 421 F N 4.230 124.175 119.950 -0.008 0.000 2.371 421 F HA 0.411 4.858 4.527 -0.133 0.000 0.363 421 F C -1.275 174.513 175.800 -0.019 0.000 1.122 421 F CA -2.031 55.951 58.000 -0.029 0.000 1.129 421 F CB 1.744 40.719 39.000 -0.041 0.000 1.173 421 F HN 0.431 nan 8.300 nan 0.000 0.489 422 P HA -0.026 nan 4.420 nan 0.000 0.233 422 P C 0.670 177.992 177.300 0.036 0.000 1.167 422 P CA 0.787 63.916 63.100 0.048 0.000 0.770 422 P CB 0.196 31.858 31.700 -0.065 0.000 0.837 423 N N 0.546 119.273 118.700 0.045 0.000 2.021 423 N HA -0.187 4.473 4.740 -0.133 0.000 0.198 423 N C 2.113 177.643 175.510 0.033 0.000 1.041 423 N CA 2.085 55.142 53.050 0.012 0.000 0.862 423 N CB -1.638 36.845 38.487 -0.007 0.000 1.048 423 N HN 0.115 nan 8.380 nan 0.000 0.427 424 G N 0.087 108.909 108.800 0.036 0.000 2.476 424 G HA2 -0.359 3.521 3.960 -0.133 0.000 0.218 424 G HA3 -0.359 3.521 3.960 -0.133 0.000 0.218 424 G C 1.317 176.242 174.900 0.041 0.000 1.164 424 G CA 1.510 46.631 45.100 0.035 0.000 0.768 424 G HN 0.438 nan 8.290 nan 0.000 0.560 425 D N -0.621 119.812 120.400 0.054 0.000 2.091 425 D HA -0.071 4.489 4.640 -0.133 0.000 0.199 425 D C 2.619 179.005 176.300 0.144 0.000 0.980 425 D CA 0.923 54.974 54.000 0.085 0.000 0.831 425 D CB -0.078 40.842 40.800 0.199 0.000 0.987 425 D HN 0.118 nan 8.370 nan 0.000 0.460 426 M N 0.213 119.920 119.600 0.178 0.000 2.132 426 M HA -0.062 4.338 4.480 -0.133 0.000 0.263 426 M C 2.247 178.725 176.300 0.296 0.000 1.065 426 M CA 0.753 56.205 55.300 0.253 0.000 1.122 426 M CB -0.737 31.850 32.600 -0.020 0.000 1.365 426 M HN 0.063 nan 8.290 nan 0.000 0.411 427 V N -0.191 119.839 119.914 0.193 0.000 2.488 427 V HA -0.059 3.981 4.120 -0.133 0.000 0.246 427 V C 2.668 178.862 176.094 0.166 0.000 1.046 427 V CA 1.685 64.104 62.300 0.197 0.000 1.053 427 V CB -1.794 30.113 31.823 0.139 0.000 0.679 427 V HN 0.521 nan 8.190 nan 0.000 0.458 428 G N -0.551 108.318 108.800 0.115 0.000 2.440 428 G HA2 -0.278 3.602 3.960 -0.133 0.000 0.218 428 G HA3 -0.278 3.602 3.960 -0.133 0.000 0.218 428 G C 1.388 176.350 174.900 0.103 0.000 1.154 428 G CA 0.862 46.006 45.100 0.074 0.000 0.767 428 G HN 0.556 nan 8.290 nan 0.000 0.552 429 H N 0.561 119.746 119.070 0.192 0.000 2.545 429 H HA -0.057 4.420 4.556 -0.132 0.000 0.282 429 H C 2.816 178.235 175.328 0.152 0.000 1.020 429 H CA 1.576 57.728 56.048 0.174 0.000 1.243 429 H CB -0.243 29.634 29.762 0.192 0.000 1.377 429 H HN 0.548 nan 8.280 nan 0.000 0.581 430 T N -3.728 110.985 114.554 0.265 0.000 3.067 430 T HA 0.142 4.413 4.350 -0.133 0.000 0.261 430 T C 1.883 176.669 174.700 0.143 0.000 1.110 430 T CA 0.920 63.137 62.100 0.195 0.000 1.113 430 T CB 0.044 69.012 68.868 0.167 0.000 0.917 430 T HN 0.436 nan 8.240 nan 0.000 0.499 431 G N 1.221 110.105 108.800 0.139 0.000 2.179 431 G HA2 -0.240 3.640 3.960 -0.133 0.000 0.260 431 G HA3 -0.240 3.640 3.960 -0.133 0.000 0.260 431 G C -0.140 174.819 174.900 0.098 0.000 0.977 431 G CA 0.170 45.336 45.100 0.110 0.000 0.641 431 G HN 0.690 nan 8.290 nan 0.000 0.533 432 D N 0.737 121.196 120.400 0.099 0.000 2.365 432 D HA 0.346 4.906 4.640 -0.133 0.000 0.237 432 D C 1.611 177.965 176.300 0.090 0.000 1.190 432 D CA -0.430 53.622 54.000 0.086 0.000 0.867 432 D CB 0.946 41.791 40.800 0.075 0.000 1.050 432 D HN 0.108 nan 8.370 nan 0.000 0.491 433 L N 6.041 127.324 121.223 0.100 0.000 1.994 433 L HA -0.111 4.150 4.340 -0.133 0.000 0.208 433 L C 2.261 179.174 176.870 0.073 0.000 1.071 433 L CA 1.836 56.739 54.840 0.106 0.000 0.745 433 L CB -0.528 41.619 42.059 0.146 0.000 0.892 433 L HN 0.395 nan 8.230 nan 0.000 0.431 434 K N -0.681 119.754 120.400 0.060 0.000 2.063 434 K HA -0.190 4.051 4.320 -0.133 0.000 0.208 434 K C 1.926 178.549 176.600 0.038 0.000 1.048 434 K CA 1.529 57.839 56.287 0.039 0.000 0.928 434 K CB -0.260 32.259 32.500 0.033 0.000 0.713 434 K HN 0.469 nan 8.250 nan 0.000 0.442 435 A N 0.415 123.265 122.820 0.049 0.000 1.897 435 A HA -0.091 4.150 4.320 -0.133 0.000 0.215 435 A C 2.148 179.766 177.584 0.056 0.000 1.181 435 A CA 1.952 54.020 52.037 0.053 0.000 0.620 435 A CB -0.870 18.169 19.000 0.066 0.000 0.821 435 A HN 0.440 nan 8.150 nan 0.000 0.443 436 T N 0.544 115.137 114.554 0.065 0.000 2.746 436 T HA -0.118 4.152 4.350 -0.133 0.000 0.267 436 T C 1.776 176.501 174.700 0.042 0.000 1.039 436 T CA 1.508 63.646 62.100 0.063 0.000 1.142 436 T CB -0.451 68.462 68.868 0.076 0.000 0.866 436 T HN 0.418 nan 8.240 nan 0.000 0.444 437 I N 1.230 121.822 120.570 0.036 0.000 2.151 437 I HA -0.234 3.857 4.170 -0.133 0.000 0.243 437 I C 2.721 178.839 176.117 0.002 0.000 1.080 437 I CA 1.305 62.614 61.300 0.016 0.000 1.339 437 I CB -0.698 37.307 38.000 0.008 0.000 1.039 437 I HN 0.257 nan 8.210 nan 0.000 0.409 438 T N 0.290 114.848 114.554 0.006 0.000 2.746 438 T HA -0.123 4.148 4.350 -0.133 0.000 0.267 438 T C 1.901 176.592 174.700 -0.014 0.000 1.039 438 T CA 1.426 63.523 62.100 -0.005 0.000 1.142 438 T CB -0.737 68.134 68.868 0.005 0.000 0.866 438 T HN 0.602 nan 8.240 nan 0.000 0.444 439 G N 1.075 109.877 108.800 0.002 0.000 2.440 439 G HA2 -0.188 3.692 3.960 -0.133 0.000 0.218 439 G HA3 -0.188 3.692 3.960 -0.133 0.000 0.218 439 G C 1.700 176.576 174.900 -0.039 0.000 1.154 439 G CA 0.922 46.017 45.100 -0.008 0.000 0.767 439 G HN 0.437 nan 8.290 nan 0.000 0.552 440 V N 0.877 120.777 119.914 -0.023 0.000 2.343 440 V HA -0.181 3.860 4.120 -0.133 0.000 0.247 440 V C 2.698 178.750 176.094 -0.070 0.000 1.051 440 V CA 2.247 64.527 62.300 -0.033 0.000 1.036 440 V CB -0.546 31.277 31.823 -0.000 0.000 0.654 440 V HN 0.500 nan 8.190 nan 0.000 0.451 441 E N 0.463 120.626 120.200 -0.062 0.000 2.118 441 E HA -0.214 4.056 4.350 -0.133 0.000 0.195 441 E C 2.323 178.849 176.600 -0.124 0.000 0.992 441 E CA 1.296 57.648 56.400 -0.079 0.000 0.804 441 E CB -0.358 29.308 29.700 -0.057 0.000 0.741 441 E HN 0.612 nan 8.360 nan 0.000 0.458 442 A N 1.082 123.823 122.820 -0.132 0.000 1.933 442 A HA -0.153 4.087 4.320 -0.133 0.000 0.218 442 A C 2.515 179.901 177.584 -0.329 0.000 1.175 442 A CA 1.233 53.160 52.037 -0.184 0.000 0.628 442 A CB -0.605 18.310 19.000 -0.142 0.000 0.814 442 A HN 0.117 nan 8.150 nan 0.000 0.444 443 V N 0.132 119.833 119.914 -0.356 0.000 2.307 443 V HA -0.246 3.794 4.120 -0.133 0.000 0.245 443 V C 2.292 178.113 176.094 -0.454 0.000 1.045 443 V CA 2.422 64.392 62.300 -0.550 0.000 1.024 443 V CB -0.834 30.788 31.823 -0.335 0.000 0.651 443 V HN 0.688 nan 8.190 nan 0.000 0.449 444 D N -0.119 120.115 120.400 -0.276 0.000 2.123 444 D HA -0.199 4.361 4.640 -0.133 0.000 0.196 444 D C 2.153 178.283 176.300 -0.283 0.000 0.992 444 D CA 1.513 55.374 54.000 -0.231 0.000 0.833 444 D CB -0.010 40.732 40.800 -0.098 0.000 0.954 444 D HN 0.544 nan 8.370 nan 0.000 0.455 445 E N -0.453 119.603 120.200 -0.240 0.000 2.077 445 E HA -0.132 4.138 4.350 -0.133 0.000 0.193 445 E C 2.205 178.638 176.600 -0.279 0.000 0.989 445 E CA 1.123 57.396 56.400 -0.211 0.000 0.800 445 E CB 0.023 29.630 29.700 -0.156 0.000 0.746 445 E HN 0.149 nan 8.360 nan 0.000 0.452 446 S N 0.869 116.348 115.700 -0.369 0.000 2.368 446 S HA -0.127 4.263 4.470 -0.133 0.000 0.225 446 S C 1.996 176.362 174.600 -0.391 0.000 1.030 446 S CA 0.792 58.769 58.200 -0.372 0.000 0.999 446 S CB -0.210 62.608 63.200 -0.637 0.000 0.844 446 S HN 0.189 nan 8.310 nan 0.000 0.459 447 L N 1.118 121.997 121.223 -0.574 0.000 2.042 447 L HA -0.181 4.079 4.340 -0.133 0.000 0.210 447 L C 2.806 179.020 176.870 -1.094 0.000 1.076 447 L CA 1.284 55.588 54.840 -0.892 0.000 0.749 447 L CB -0.753 40.542 42.059 -1.273 0.000 0.893 447 L HN 0.337 nan 8.230 nan 0.000 0.432 448 A N 0.104 122.419 122.820 -0.842 0.000 1.902 448 A HA -0.212 4.028 4.320 -0.133 0.000 0.217 448 A C 2.330 179.774 177.584 -0.233 0.000 1.181 448 A CA 1.660 53.450 52.037 -0.413 0.000 0.623 448 A CB -0.322 18.608 19.000 -0.116 0.000 0.818 448 A HN 0.322 nan 8.150 nan 0.000 0.443 449 K N -0.447 119.822 120.400 -0.218 0.000 2.057 449 K HA -0.013 4.227 4.320 -0.133 0.000 0.207 449 K C 1.831 178.356 176.600 -0.125 0.000 1.049 449 K CA 1.314 57.523 56.287 -0.130 0.000 0.931 449 K CB -0.356 32.081 32.500 -0.106 0.000 0.714 449 K HN 0.452 nan 8.250 nan 0.000 0.440 450 L N 1.209 122.320 121.223 -0.188 0.000 2.093 450 L HA -0.172 4.088 4.340 -0.133 0.000 0.208 450 L C 2.596 179.381 176.870 -0.142 0.000 1.085 450 L CA 1.163 55.912 54.840 -0.151 0.000 0.755 450 L CB -0.363 41.597 42.059 -0.166 0.000 0.904 450 L HN 0.168 nan 8.230 nan 0.000 0.435 451 K N 0.220 120.482 120.400 -0.230 0.000 2.074 451 K HA -0.241 3.999 4.320 -0.133 0.000 0.209 451 K C 1.633 178.269 176.600 0.059 0.000 1.048 451 K CA 2.010 58.256 56.287 -0.068 0.000 0.926 451 K CB -0.051 32.468 32.500 0.032 0.000 0.713 451 K HN 0.269 nan 8.250 nan 0.000 0.444 452 D N 0.236 120.649 120.400 0.021 0.000 2.117 452 D HA -0.134 4.426 4.640 -0.133 0.000 0.197 452 D C 1.817 178.137 176.300 0.033 0.000 0.987 452 D CA 1.393 55.416 54.000 0.038 0.000 0.829 452 D CB -0.266 40.545 40.800 0.019 0.000 0.961 452 D HN 0.370 nan 8.370 nan 0.000 0.460 453 A N 0.698 123.525 122.820 0.011 0.000 1.902 453 A HA -0.139 4.102 4.320 -0.133 0.000 0.217 453 A C 2.559 180.164 177.584 0.035 0.000 1.181 453 A CA 1.234 53.278 52.037 0.012 0.000 0.623 453 A CB -0.788 18.208 19.000 -0.008 0.000 0.818 453 A HN 0.141 nan 8.150 nan 0.000 0.443 454 V N 0.687 120.637 119.914 0.060 0.000 2.295 454 V HA -0.261 3.779 4.120 -0.133 0.000 0.246 454 V C 2.206 178.360 176.094 0.100 0.000 1.049 454 V CA 2.375 64.737 62.300 0.103 0.000 1.024 454 V CB -0.820 31.124 31.823 0.201 0.000 0.648 454 V HN 0.508 nan 8.190 nan 0.000 0.447 455 D N 0.393 120.858 120.400 0.108 0.000 2.123 455 D HA -0.139 4.421 4.640 -0.133 0.000 0.196 455 D C 2.402 178.737 176.300 0.059 0.000 0.992 455 D CA 1.819 55.873 54.000 0.090 0.000 0.833 455 D CB -0.355 40.504 40.800 0.098 0.000 0.954 455 D HN 0.604 nan 8.370 nan 0.000 0.455 456 S N 0.131 115.860 115.700 0.048 0.000 2.469 456 S HA -0.108 4.282 4.470 -0.133 0.000 0.238 456 S C 1.788 176.404 174.600 0.028 0.000 0.998 456 S CA 1.071 59.290 58.200 0.032 0.000 0.957 456 S CB -0.302 62.912 63.200 0.023 0.000 0.764 456 S HN 0.200 nan 8.310 nan 0.000 0.514 457 V N -2.108 117.826 119.914 0.033 0.000 3.319 457 V HA 0.448 4.488 4.120 -0.133 0.000 0.317 457 V C 0.440 176.553 176.094 0.032 0.000 1.411 457 V CA 0.060 62.377 62.300 0.029 0.000 1.112 457 V CB -1.605 30.236 31.823 0.029 0.000 1.031 457 V HN 0.436 nan 8.190 nan 0.000 0.448 458 N N 0.933 119.654 118.700 0.035 0.000 2.727 458 N HA -0.130 4.530 4.740 -0.133 0.000 0.249 458 N C 0.426 175.955 175.510 0.031 0.000 1.048 458 N CA 1.032 54.100 53.050 0.030 0.000 0.714 458 N CB -1.129 37.370 38.487 0.020 0.000 0.959 458 N HN 0.958 nan 8.380 nan 0.000 0.544 459 G N -1.446 107.382 108.800 0.046 0.000 2.557 459 G HA2 0.676 4.556 3.960 -0.133 0.000 0.302 459 G HA3 0.676 4.556 3.960 -0.133 0.000 0.302 459 G C -0.522 174.401 174.900 0.039 0.000 1.311 459 G CA -0.187 44.945 45.100 0.052 0.000 1.030 459 G HN 0.235 nan 8.290 nan 0.000 0.509 460 V N -0.157 119.780 119.914 0.039 0.000 2.769 460 V HA 0.575 4.615 4.120 -0.133 0.000 0.312 460 V C -1.004 175.130 176.094 0.066 0.000 1.061 460 V CA -0.652 61.636 62.300 -0.021 0.000 0.931 460 V CB 1.497 33.296 31.823 -0.039 0.000 1.010 460 V HN 0.776 nan 8.190 nan 0.000 0.433 461 Y N 2.374 122.706 120.300 0.053 0.000 2.485 461 Y HA 0.874 5.345 4.550 -0.133 0.000 0.345 461 Y C -0.905 175.056 175.900 0.102 0.000 0.998 461 Y CA -1.758 56.383 58.100 0.068 0.000 1.059 461 Y CB 1.650 40.150 38.460 0.066 0.000 1.234 461 Y HN 0.582 nan 8.280 nan 0.000 0.461 462 I N 3.516 124.291 120.570 0.341 0.000 2.499 462 I HA 0.668 4.758 4.170 -0.133 0.000 0.288 462 I C -1.811 174.514 176.117 0.348 0.000 1.048 462 I CA -0.933 60.562 61.300 0.326 0.000 1.062 462 I CB 1.560 39.710 38.000 0.250 0.000 1.238 462 I HN 0.623 nan 8.210 nan 0.000 0.426 463 V N 6.473 126.646 119.914 0.431 0.000 2.487 463 V HA 0.674 4.714 4.120 -0.133 0.000 0.298 463 V C -0.116 176.215 176.094 0.396 0.000 1.028 463 V CA -0.254 62.281 62.300 0.393 0.000 0.860 463 V CB 1.657 33.738 31.823 0.430 0.000 0.991 463 V HN 0.848 nan 8.190 nan 0.000 0.427 464 T N 2.619 117.340 114.554 0.278 0.000 2.618 464 T HA 0.891 5.161 4.350 -0.133 0.000 0.293 464 T C -1.305 173.486 174.700 0.151 0.000 1.093 464 T CA 0.285 62.506 62.100 0.203 0.000 1.061 464 T CB 1.991 70.948 68.868 0.148 0.000 1.498 464 T HN 1.119 nan 8.240 nan 0.000 0.494 465 A N 0.401 123.269 122.820 0.080 0.000 2.527 465 A HA 0.666 4.906 4.320 -0.133 0.000 0.293 465 A C 0.005 177.559 177.584 -0.050 0.000 1.117 465 A CA -0.130 51.911 52.037 0.008 0.000 0.723 465 A CB 1.360 20.356 19.000 -0.005 0.000 1.313 465 A HN 0.844 nan 8.150 nan 0.000 0.411 466 D N -0.689 119.629 120.400 -0.136 0.000 2.346 466 D HA 0.206 4.766 4.640 -0.133 0.000 0.206 466 D C 0.327 176.646 176.300 0.033 0.000 1.001 466 D CA 1.394 55.338 54.000 -0.093 0.000 0.871 466 D CB -0.189 40.547 40.800 -0.106 0.000 0.943 466 D HN 0.865 nan 8.370 nan 0.000 0.518 467 H N -3.905 115.148 119.070 -0.028 0.000 2.882 467 H HA 0.515 4.991 4.556 -0.133 0.000 0.258 467 H C -0.485 174.817 175.328 -0.044 0.000 1.435 467 H CA -0.964 55.059 56.048 -0.043 0.000 1.190 467 H CB 0.595 30.286 29.762 -0.119 0.000 1.800 467 H HN 0.013 nan 8.280 nan 0.000 0.452 468 G N -0.559 108.312 108.800 0.119 0.000 2.477 468 G HA2 0.430 4.310 3.960 -0.133 0.000 0.304 468 G HA3 0.430 4.310 3.960 -0.133 0.000 0.304 468 G C -0.194 174.809 174.900 0.172 0.000 1.175 468 G CA 0.203 45.351 45.100 0.080 0.000 0.907 468 G HN 0.877 nan 8.290 nan 0.000 0.509 469 N N -1.967 116.794 118.700 0.101 0.000 2.529 469 N HA -0.163 4.497 4.740 -0.133 0.000 0.328 469 N C 2.070 177.625 175.510 0.076 0.000 0.606 469 N CA 1.021 54.141 53.050 0.117 0.000 1.182 469 N CB -0.644 37.907 38.487 0.107 0.000 1.946 469 N HN 0.418 nan 8.380 nan 0.000 1.584 470 S N 0.898 116.632 115.700 0.056 0.000 2.447 470 S HA -0.096 4.294 4.470 -0.133 0.000 0.233 470 S C 1.125 175.775 174.600 0.083 0.000 1.006 470 S CA 1.436 59.675 58.200 0.066 0.000 0.957 470 S CB -0.660 62.573 63.200 0.055 0.000 0.773 470 S HN 0.556 nan 8.310 nan 0.000 0.507 471 D N 0.834 121.285 120.400 0.083 0.000 2.378 471 D HA -0.059 4.501 4.640 -0.133 0.000 0.222 471 D C -0.068 176.290 176.300 0.098 0.000 0.980 471 D CA 0.570 54.626 54.000 0.094 0.000 0.907 471 D CB -0.236 40.616 40.800 0.087 0.000 0.899 471 D HN 0.399 nan 8.370 nan 0.000 0.527 472 D N -0.148 120.312 120.400 0.099 0.000 2.616 472 D HA 0.132 4.692 4.640 -0.133 0.000 0.238 472 D C 0.174 176.539 176.300 0.109 0.000 1.354 472 D CA -0.502 53.562 54.000 0.106 0.000 0.970 472 D CB 1.313 42.163 40.800 0.083 0.000 1.369 472 D HN -0.269 nan 8.370 nan 0.000 0.585 473 M N 1.365 121.048 119.600 0.138 0.000 2.356 473 M HA 0.409 4.809 4.480 -0.133 0.000 0.262 473 M C 0.143 176.487 176.300 0.074 0.000 1.097 473 M CA -0.184 55.193 55.300 0.127 0.000 0.991 473 M CB 0.014 32.715 32.600 0.168 0.000 1.450 473 M HN 0.394 nan 8.290 nan 0.000 0.495 474 A N 0.903 123.741 122.820 0.030 0.000 2.343 474 A HA 0.616 4.857 4.320 -0.133 0.000 0.316 474 A C -0.220 177.333 177.584 -0.051 0.000 1.104 474 A CA -0.550 51.423 52.037 -0.106 0.000 0.768 474 A CB 1.029 19.866 19.000 -0.272 0.000 1.213 474 A HN 0.390 nan 8.150 nan 0.000 0.456 475 Q N 1.207 120.972 119.800 -0.059 0.000 2.337 475 Q HA 0.347 4.608 4.340 -0.133 0.000 0.270 475 Q C -0.388 175.585 176.000 -0.045 0.000 1.002 475 Q CA 0.577 56.363 55.803 -0.029 0.000 0.888 475 Q CB 0.802 29.529 28.738 -0.019 0.000 1.222 475 Q HN 0.640 nan 8.270 nan 0.000 0.400 476 R N 1.202 121.692 120.500 -0.017 0.000 2.795 476 R HA 0.227 4.487 4.340 -0.133 0.000 0.275 476 R C -0.894 175.405 176.300 -0.002 0.000 0.981 476 R CA -0.907 55.185 56.100 -0.013 0.000 0.917 476 R CB 1.211 31.512 30.300 0.001 0.000 1.202 476 R HN 0.701 nan 8.270 nan 0.000 0.469 477 D N 0.590 120.989 120.400 -0.001 0.000 2.398 477 D HA 0.033 4.594 4.640 -0.133 0.000 0.264 477 D C 0.406 176.712 176.300 0.010 0.000 1.263 477 D CA -0.370 53.632 54.000 0.004 0.000 1.037 477 D CB 0.611 41.413 40.800 0.003 0.000 1.101 477 D HN 0.309 nan 8.370 nan 0.000 0.551 478 K N -0.963 119.444 120.400 0.011 0.000 2.209 478 K HA -0.089 4.151 4.320 -0.133 0.000 0.204 478 K C 1.550 178.158 176.600 0.014 0.000 1.048 478 K CA 0.988 57.283 56.287 0.014 0.000 0.940 478 K CB -0.077 32.431 32.500 0.014 0.000 0.729 478 K HN 0.321 nan 8.250 nan 0.000 0.451 479 K N -0.492 119.916 120.400 0.013 0.000 2.444 479 K HA 0.034 4.274 4.320 -0.133 0.000 0.193 479 K C 0.751 177.361 176.600 0.016 0.000 1.024 479 K CA 0.519 56.814 56.287 0.014 0.000 1.077 479 K CB 0.656 33.164 32.500 0.013 0.000 0.833 479 K HN 0.330 nan 8.250 nan 0.000 0.517 480 G N 2.370 111.180 108.800 0.015 0.000 2.141 480 G HA2 -0.282 3.598 3.960 -0.133 0.000 0.231 480 G HA3 -0.282 3.598 3.960 -0.133 0.000 0.231 480 G C -0.182 174.731 174.900 0.023 0.000 0.984 480 G CA -0.102 45.010 45.100 0.019 0.000 0.660 480 G HN 0.276 nan 8.290 nan 0.000 0.525 481 K N 1.028 121.439 120.400 0.018 0.000 2.201 481 K HA 0.536 4.776 4.320 -0.133 0.000 0.278 481 K C -2.388 174.213 176.600 0.002 0.000 1.027 481 K CA -2.210 54.089 56.287 0.021 0.000 0.909 481 K CB 1.252 33.763 32.500 0.019 0.000 1.062 481 K HN -0.040 nan 8.250 nan 0.000 0.465 482 P HA -0.043 nan 4.420 nan 0.000 0.264 482 P C -0.756 176.497 177.300 -0.079 0.000 1.193 482 P CA 0.571 63.619 63.100 -0.087 0.000 0.763 482 P CB 0.511 32.118 31.700 -0.156 0.000 0.810 483 M N 3.315 122.862 119.600 -0.089 0.000 2.249 483 M HA 0.261 4.661 4.480 -0.133 0.000 0.351 483 M C 0.565 176.818 176.300 -0.079 0.000 1.180 483 M CA 0.315 55.578 55.300 -0.062 0.000 1.127 483 M CB 0.851 33.425 32.600 -0.044 0.000 1.546 483 M HN 0.148 nan 8.290 nan 0.000 0.461 484 K N 1.168 121.539 120.400 -0.049 0.000 2.318 484 K HA 0.359 4.599 4.320 -0.133 0.000 0.249 484 K C -1.056 175.529 176.600 -0.026 0.000 0.942 484 K CA -1.074 55.188 56.287 -0.042 0.000 0.808 484 K CB 1.551 34.038 32.500 -0.021 0.000 1.189 484 K HN 0.633 nan 8.250 nan 0.000 0.428 485 D N -0.281 120.106 120.400 -0.021 0.000 2.414 485 D HA 0.050 4.610 4.640 -0.133 0.000 0.259 485 D C 1.184 177.479 176.300 -0.009 0.000 1.269 485 D CA -0.457 53.535 54.000 -0.015 0.000 1.028 485 D CB 0.032 40.826 40.800 -0.011 0.000 1.093 485 D HN 0.535 nan 8.370 nan 0.000 0.545 486 G N -1.084 107.710 108.800 -0.009 0.000 2.470 486 G HA2 -0.238 3.643 3.960 -0.133 0.000 0.220 486 G HA3 -0.238 3.643 3.960 -0.133 0.000 0.220 486 G C 1.024 175.923 174.900 -0.001 0.000 1.121 486 G CA 0.199 45.295 45.100 -0.007 0.000 0.766 486 G HN 0.447 nan 8.290 nan 0.000 0.553 487 N N 0.442 119.143 118.700 0.001 0.000 2.398 487 N HA 0.095 4.755 4.740 -0.133 0.000 0.188 487 N C 1.706 177.223 175.510 0.012 0.000 1.122 487 N CA 0.865 53.919 53.050 0.007 0.000 0.866 487 N CB 0.371 38.862 38.487 0.008 0.000 0.970 487 N HN 0.388 nan 8.380 nan 0.000 0.462 488 G N 0.698 109.505 108.800 0.011 0.000 2.143 488 G HA2 -0.244 3.636 3.960 -0.133 0.000 0.249 488 G HA3 -0.244 3.636 3.960 -0.133 0.000 0.249 488 G C -0.227 174.690 174.900 0.027 0.000 0.981 488 G CA -0.357 44.754 45.100 0.018 0.000 0.665 488 G HN 0.265 nan 8.290 nan 0.000 0.528 489 N N 0.132 118.843 118.700 0.019 0.000 2.479 489 N HA 0.409 5.069 4.740 -0.133 0.000 0.285 489 N C 0.466 175.967 175.510 -0.015 0.000 1.075 489 N CA -0.184 52.880 53.050 0.024 0.000 0.967 489 N CB 2.217 40.720 38.487 0.026 0.000 1.137 489 N HN 0.244 nan 8.380 nan 0.000 0.472 490 V N 3.059 122.942 119.914 -0.052 0.000 2.788 490 V HA -0.006 4.034 4.120 -0.133 0.000 0.307 490 V C 0.177 176.201 176.094 -0.117 0.000 1.069 490 V CA -0.098 62.091 62.300 -0.186 0.000 1.173 490 V CB 0.100 31.588 31.823 -0.557 0.000 0.925 490 V HN 0.424 nan 8.190 nan 0.000 0.492 491 L N 9.019 130.176 121.223 -0.111 0.000 2.369 491 L HA 0.319 4.579 4.340 -0.133 0.000 0.279 491 L C -2.108 174.726 176.870 -0.061 0.000 1.108 491 L CA -1.561 53.244 54.840 -0.059 0.000 0.852 491 L CB 0.618 42.652 42.059 -0.041 0.000 1.169 491 L HN 0.541 nan 8.230 nan 0.000 0.452 492 P HA 0.035 nan 4.420 nan 0.000 0.268 492 P C -0.676 176.640 177.300 0.025 0.000 1.205 492 P CA -0.383 62.721 63.100 0.006 0.000 0.771 492 P CB 0.722 32.446 31.700 0.041 0.000 0.858 493 L N 3.803 125.049 121.223 0.038 0.000 2.257 493 L HA 0.283 4.543 4.340 -0.133 0.000 0.290 493 L C 1.069 177.996 176.870 0.094 0.000 1.044 493 L CA 0.555 55.432 54.840 0.061 0.000 0.810 493 L CB 0.406 42.500 42.059 0.058 0.000 1.193 493 L HN 0.428 nan 8.230 nan 0.000 0.425 494 T N -1.004 113.620 114.554 0.116 0.000 3.060 494 T HA 0.170 4.440 4.350 -0.133 0.000 0.249 494 T C 0.802 175.650 174.700 0.246 0.000 1.079 494 T CA 0.342 62.545 62.100 0.172 0.000 1.013 494 T CB -0.210 68.758 68.868 0.167 0.000 0.975 494 T HN 0.606 nan 8.240 nan 0.000 0.518 495 S N 0.345 116.148 115.700 0.173 0.000 2.738 495 S HA 0.436 4.826 4.470 -0.133 0.000 0.284 495 S C -0.071 174.635 174.600 0.177 0.000 1.146 495 S CA -0.958 57.339 58.200 0.162 0.000 0.997 495 S CB 0.286 63.540 63.200 0.091 0.000 1.081 495 S HN 0.524 nan 8.310 nan 0.000 0.553 496 H N 0.127 119.274 119.070 0.129 0.000 2.730 496 H HA 0.386 4.862 4.556 -0.133 0.000 0.376 496 H C 0.855 176.233 175.328 0.084 0.000 1.299 496 H CA 0.119 56.226 56.048 0.099 0.000 1.447 496 H CB 0.480 30.267 29.762 0.041 0.000 1.493 496 H HN 0.871 nan 8.280 nan 0.000 0.619 497 T N -1.375 113.317 114.554 0.231 0.000 2.905 497 T HA 0.299 4.569 4.350 -0.133 0.000 0.283 497 T C 0.243 174.970 174.700 0.046 0.000 1.031 497 T CA -0.955 61.211 62.100 0.109 0.000 1.002 497 T CB 0.960 69.878 68.868 0.083 0.000 1.200 497 T HN 0.237 nan 8.240 nan 0.000 0.560 498 L N 1.230 122.404 121.223 -0.081 0.000 2.685 498 L HA 0.374 4.634 4.340 -0.133 0.000 0.233 498 L C 1.034 177.742 176.870 -0.271 0.000 1.173 498 L CA 0.176 54.803 54.840 -0.355 0.000 0.961 498 L CB -0.606 41.127 42.059 -0.543 0.000 1.217 498 L HN 0.628 nan 8.230 nan 0.000 0.478 499 S N 1.487 117.152 115.700 -0.058 0.000 2.568 499 S HA 0.203 4.594 4.470 -0.133 0.000 0.282 499 S C -2.020 172.613 174.600 0.054 0.000 1.338 499 S CA -0.736 57.467 58.200 0.005 0.000 1.045 499 S CB 0.239 63.464 63.200 0.042 0.000 0.873 499 S HN 0.112 nan 8.310 nan 0.000 0.516 500 P HA 0.267 nan 4.420 nan 0.000 0.275 500 P C -0.676 176.658 177.300 0.057 0.000 1.266 500 P CA -0.455 62.687 63.100 0.070 0.000 0.793 500 P CB 0.355 32.084 31.700 0.049 0.000 1.074 501 V N -4.240 115.695 119.914 0.034 0.000 2.864 501 V HA 0.658 4.698 4.120 -0.133 0.000 0.314 501 V C -2.627 173.463 176.094 -0.006 0.000 1.073 501 V CA -3.003 59.317 62.300 0.033 0.000 0.956 501 V CB 1.574 33.412 31.823 0.025 0.000 1.023 501 V HN 0.415 nan 8.190 nan 0.000 0.435 502 P HA 0.401 nan 4.420 nan 0.000 0.276 502 P C -0.969 176.224 177.300 -0.178 0.000 1.244 502 P CA -0.289 62.755 63.100 -0.093 0.000 0.801 502 P CB 1.654 33.366 31.700 0.021 0.000 1.006 503 V N 2.580 122.267 119.914 -0.378 0.000 2.482 503 V HA 0.353 4.393 4.120 -0.133 0.000 0.295 503 V C -0.432 175.565 176.094 -0.162 0.000 1.026 503 V CA -0.300 61.901 62.300 -0.164 0.000 0.856 503 V CB 0.702 32.460 31.823 -0.108 0.000 1.001 503 V HN 0.337 nan 8.190 nan 0.000 0.424 504 F N 5.485 125.624 119.950 0.315 0.000 2.443 504 F HA 0.761 5.208 4.527 -0.133 0.000 0.335 504 F C 0.300 176.287 175.800 0.311 0.000 1.104 504 F CA -0.801 57.437 58.000 0.395 0.000 1.013 504 F CB 1.657 40.928 39.000 0.453 0.000 1.136 504 F HN 0.451 nan 8.300 nan 0.000 0.470 505 I N -0.080 120.707 120.570 0.361 0.000 2.846 505 I HA 1.091 5.181 4.170 -0.133 0.000 0.307 505 I C -0.118 175.772 176.117 -0.379 0.000 1.053 505 I CA -0.630 60.657 61.300 -0.020 0.000 1.050 505 I CB 2.214 40.162 38.000 -0.087 0.000 1.239 505 I HN 0.705 nan 8.210 nan 0.000 0.439 506 G N 1.560 109.765 108.800 -0.992 0.000 2.356 506 G HA2 0.625 4.506 3.960 -0.133 0.000 0.281 506 G HA3 0.625 4.506 3.960 -0.133 0.000 0.281 506 G C -0.541 173.822 174.900 -0.894 0.000 1.246 506 G CA -0.081 44.465 45.100 -0.925 0.000 0.889 506 G HN 1.837 nan 8.290 nan 0.000 0.486 507 G N -2.130 106.463 108.800 -0.345 0.000 2.674 507 G HA2 0.445 4.325 3.960 -0.133 0.000 0.686 507 G HA3 0.445 4.325 3.960 -0.133 0.000 0.686 507 G C 0.882 175.776 174.900 -0.011 0.000 1.195 507 G CA 0.826 45.903 45.100 -0.039 0.000 0.776 507 G HN 2.173 nan 8.290 nan 0.000 0.654 508 A N 0.202 123.053 122.820 0.050 0.000 1.978 508 A HA 0.280 4.520 4.320 -0.133 0.000 0.220 508 A C 2.594 180.184 177.584 0.010 0.000 1.170 508 A CA 2.605 54.664 52.037 0.037 0.000 0.636 508 A CB -0.469 18.560 19.000 0.049 0.000 0.810 508 A HN 2.337 nan 8.150 nan 0.000 0.448 509 G N -1.379 107.421 108.800 0.000 0.000 2.985 509 G HA2 0.335 4.215 3.960 -0.133 0.000 0.209 509 G HA3 0.335 4.215 3.960 -0.133 0.000 0.209 509 G C 0.345 175.222 174.900 -0.037 0.000 1.165 509 G CA -0.041 45.053 45.100 -0.011 0.000 0.776 509 G HN 0.409 nan 8.290 nan 0.000 0.541 510 L N 1.468 122.652 121.223 -0.066 0.000 2.313 510 L HA 0.297 4.558 4.340 -0.133 0.000 0.282 510 L C -0.008 176.824 176.870 -0.064 0.000 1.092 510 L CA -1.021 53.759 54.840 -0.101 0.000 0.831 510 L CB 0.773 42.714 42.059 -0.197 0.000 1.159 510 L HN -0.041 nan 8.230 nan 0.000 0.442 511 D N 6.843 127.207 120.400 -0.062 0.000 2.493 511 D HA -0.005 4.555 4.640 -0.133 0.000 0.240 511 D C -1.737 174.550 176.300 -0.023 0.000 1.142 511 D CA -0.952 53.022 54.000 -0.042 0.000 0.872 511 D CB 1.660 42.427 40.800 -0.055 0.000 1.173 511 D HN 0.446 nan 8.370 nan 0.000 0.467 512 P HA -0.042 nan 4.420 nan 0.000 0.228 512 P C 0.798 178.099 177.300 0.001 0.000 1.151 512 P CA 0.854 63.965 63.100 0.018 0.000 0.770 512 P CB 0.223 31.929 31.700 0.010 0.000 0.786 513 R N -1.245 119.235 120.500 -0.033 0.000 2.280 513 R HA 0.123 4.383 4.340 -0.133 0.000 0.195 513 R C 0.222 176.437 176.300 -0.143 0.000 0.935 513 R CA -0.036 56.017 56.100 -0.078 0.000 1.033 513 R CB -0.058 30.199 30.300 -0.071 0.000 0.964 513 R HN 0.051 nan 8.270 nan 0.000 0.489 514 V N 1.765 121.625 119.914 -0.089 0.000 2.521 514 V HA 0.313 4.353 4.120 -0.133 0.000 0.286 514 V C 0.274 176.336 176.094 -0.054 0.000 1.034 514 V CA -0.038 62.197 62.300 -0.108 0.000 1.045 514 V CB 0.954 32.732 31.823 -0.075 0.000 0.974 514 V HN 0.275 nan 8.190 nan 0.000 0.480 515 A N 6.530 129.246 122.820 -0.174 0.000 2.572 515 A HA 0.783 5.023 4.320 -0.133 0.000 0.295 515 A C -0.601 177.035 177.584 0.087 0.000 1.072 515 A CA -0.901 51.111 52.037 -0.041 0.000 0.691 515 A CB 1.516 20.443 19.000 -0.121 0.000 1.291 515 A HN 0.599 nan 8.150 nan 0.000 0.404 516 M N 1.929 121.624 119.600 0.159 0.000 2.269 516 M HA 0.128 4.528 4.480 -0.133 0.000 0.350 516 M C 0.676 177.130 176.300 0.258 0.000 1.429 516 M CA 0.598 55.997 55.300 0.164 0.000 1.063 516 M CB -0.426 32.226 32.600 0.086 0.000 1.841 516 M HN 0.693 nan 8.290 nan 0.000 0.455 517 R N 1.451 122.093 120.500 0.236 0.000 2.623 517 R HA 0.048 4.309 4.340 -0.133 0.000 0.271 517 R C 1.165 177.473 176.300 0.014 0.000 1.043 517 R CA 0.424 56.569 56.100 0.075 0.000 1.083 517 R CB 0.131 30.426 30.300 -0.009 0.000 0.974 517 R HN 0.745 nan 8.270 nan 0.000 0.436 518 T N -2.768 111.765 114.554 -0.035 0.000 3.134 518 T HA 0.015 4.285 4.350 -0.133 0.000 0.260 518 T C 0.375 175.046 174.700 -0.048 0.000 1.027 518 T CA -0.232 61.852 62.100 -0.027 0.000 0.913 518 T CB 0.043 68.906 68.868 -0.010 0.000 1.046 518 T HN 0.657 nan 8.240 nan 0.000 0.553 519 D N 1.159 121.517 120.400 -0.070 0.000 2.593 519 D HA 0.143 4.703 4.640 -0.133 0.000 0.241 519 D C 0.289 176.557 176.300 -0.054 0.000 1.257 519 D CA -0.487 53.473 54.000 -0.066 0.000 0.828 519 D CB -0.296 40.452 40.800 -0.087 0.000 1.049 519 D HN 0.419 nan 8.370 nan 0.000 0.490 520 L N 1.402 122.597 121.223 -0.046 0.000 2.732 520 L HA 0.279 4.539 4.340 -0.133 0.000 0.246 520 L C -1.501 175.344 176.870 -0.041 0.000 1.407 520 L CA -1.266 53.549 54.840 -0.042 0.000 0.861 520 L CB 1.520 43.557 42.059 -0.038 0.000 1.161 520 L HN -0.199 nan 8.230 nan 0.000 0.510 521 P HA -0.141 nan 4.420 nan 0.000 0.222 521 P C 1.056 178.335 177.300 -0.034 0.000 1.147 521 P CA 0.871 63.951 63.100 -0.034 0.000 0.790 521 P CB 0.454 32.139 31.700 -0.026 0.000 0.780 522 A N -0.817 121.982 122.820 -0.036 0.000 2.423 522 A HA 0.532 4.772 4.320 -0.133 0.000 0.246 522 A C 1.145 178.701 177.584 -0.046 0.000 1.278 522 A CA -0.072 51.942 52.037 -0.038 0.000 0.903 522 A CB -0.617 18.361 19.000 -0.038 0.000 0.997 522 A HN 0.244 nan 8.150 nan 0.000 0.510 523 A N -0.202 122.589 122.820 -0.048 0.000 2.483 523 A HA 0.538 4.778 4.320 -0.133 0.000 0.238 523 A C 0.793 178.343 177.584 -0.057 0.000 1.070 523 A CA 0.583 52.588 52.037 -0.054 0.000 0.770 523 A CB -0.026 18.942 19.000 -0.053 0.000 1.008 523 A HN 0.942 nan 8.150 nan 0.000 0.497 524 G N -0.848 107.915 108.800 -0.063 0.000 3.105 524 G HA2 0.462 4.343 3.960 -0.133 0.000 0.277 524 G HA3 0.462 4.343 3.960 -0.133 0.000 0.277 524 G C 0.617 175.479 174.900 -0.064 0.000 1.375 524 G CA -0.589 44.474 45.100 -0.062 0.000 0.962 524 G HN 0.611 nan 8.290 nan 0.000 0.541 525 L N 0.268 121.454 121.223 -0.062 0.000 2.081 525 L HA -0.195 4.066 4.340 -0.133 0.000 0.212 525 L C 3.266 180.076 176.870 -0.101 0.000 1.080 525 L CA 1.724 56.524 54.840 -0.067 0.000 0.754 525 L CB -0.497 41.519 42.059 -0.072 0.000 0.893 525 L HN 0.602 nan 8.230 nan 0.000 0.433 526 A N 0.511 123.254 122.820 -0.128 0.000 2.024 526 A HA -0.239 4.001 4.320 -0.133 0.000 0.220 526 A C 1.924 179.410 177.584 -0.163 0.000 1.164 526 A CA 2.220 54.151 52.037 -0.177 0.000 0.643 526 A CB -0.745 18.148 19.000 -0.177 0.000 0.806 526 A HN 0.531 nan 8.150 nan 0.000 0.451 527 N N -0.264 118.372 118.700 -0.108 0.000 2.381 527 N HA -0.051 4.610 4.740 -0.133 0.000 0.182 527 N C 1.273 176.743 175.510 -0.067 0.000 1.025 527 N CA 1.127 54.129 53.050 -0.080 0.000 0.888 527 N CB -0.246 38.208 38.487 -0.056 0.000 0.965 527 N HN 0.271 nan 8.380 nan 0.000 0.438 528 V N 0.546 120.430 119.914 -0.049 0.000 2.515 528 V HA -0.217 3.823 4.120 -0.133 0.000 0.250 528 V C 1.991 178.056 176.094 -0.048 0.000 1.058 528 V CA 1.757 64.072 62.300 0.025 0.000 1.064 528 V CB -0.973 30.915 31.823 0.107 0.000 0.675 528 V HN 0.415 nan 8.190 nan 0.000 0.461 529 T N 0.979 115.414 114.554 -0.199 0.000 2.622 529 T HA -0.228 4.042 4.350 -0.133 0.000 0.266 529 T C 2.106 176.413 174.700 -0.655 0.000 1.047 529 T CA 1.803 63.562 62.100 -0.567 0.000 1.159 529 T CB -0.572 68.065 68.868 -0.384 0.000 0.863 529 T HN 0.573 nan 8.240 nan 0.000 0.422 530 A N 1.417 124.104 122.820 -0.221 0.000 1.972 530 A HA -0.129 4.111 4.320 -0.133 0.000 0.219 530 A C 2.539 180.043 177.584 -0.133 0.000 1.169 530 A CA 2.037 54.002 52.037 -0.120 0.000 0.635 530 A CB -1.295 17.702 19.000 -0.006 0.000 0.810 530 A HN 0.526 nan 8.150 nan 0.000 0.446 531 T N 0.361 114.848 114.554 -0.111 0.000 2.674 531 T HA -0.171 4.099 4.350 -0.133 0.000 0.265 531 T C 1.606 176.335 174.700 0.049 0.000 1.039 531 T CA 1.768 63.862 62.100 -0.009 0.000 1.150 531 T CB -0.636 68.260 68.868 0.045 0.000 0.864 531 T HN 0.792 nan 8.240 nan 0.000 0.427 532 F N 0.952 120.966 119.950 0.107 0.000 2.325 532 F HA 0.205 4.653 4.527 -0.132 0.000 0.299 532 F C 1.964 177.847 175.800 0.138 0.000 1.090 532 F CA 0.322 58.397 58.000 0.125 0.000 1.392 532 F CB -0.857 38.245 39.000 0.169 0.000 1.053 532 F HN 0.041 nan 8.300 nan 0.000 0.521 533 I N 1.621 122.160 120.570 -0.051 0.000 2.179 533 I HA -0.298 3.793 4.170 -0.133 0.000 0.242 533 I C 2.110 178.328 176.117 0.168 0.000 1.088 533 I CA 1.813 63.167 61.300 0.090 0.000 1.357 533 I CB -0.801 37.146 38.000 -0.089 0.000 1.051 533 I HN 0.287 nan 8.210 nan 0.000 0.409 534 N N 0.868 119.609 118.700 0.068 0.000 2.043 534 N HA -0.192 4.468 4.740 -0.133 0.000 0.193 534 N C 1.957 177.435 175.510 -0.054 0.000 1.037 534 N CA 1.136 54.178 53.050 -0.013 0.000 0.851 534 N CB -0.177 38.271 38.487 -0.065 0.000 1.027 534 N HN 0.262 nan 8.380 nan 0.000 0.422 535 L N 0.928 122.168 121.223 0.028 0.000 2.127 535 L HA -0.157 4.104 4.340 -0.133 0.000 0.211 535 L C 2.039 178.949 176.870 0.066 0.000 1.089 535 L CA 0.809 55.666 54.840 0.029 0.000 0.757 535 L CB -0.367 41.745 42.059 0.088 0.000 0.899 535 L HN 0.251 nan 8.230 nan 0.000 0.434 536 L N -0.481 120.848 121.223 0.175 0.000 2.376 536 L HA -0.022 4.238 4.340 -0.133 0.000 0.219 536 L C 1.420 178.349 176.870 0.098 0.000 1.133 536 L CA 0.868 55.850 54.840 0.237 0.000 0.816 536 L CB -0.345 41.977 42.059 0.438 0.000 0.933 536 L HN 0.525 nan 8.230 nan 0.000 0.449 537 G N -1.263 107.519 108.800 -0.030 0.000 2.143 537 G HA2 -0.219 3.661 3.960 -0.133 0.000 0.175 537 G HA3 -0.219 3.661 3.960 -0.133 0.000 0.175 537 G C -0.145 174.490 174.900 -0.442 0.000 1.004 537 G CA -0.678 44.253 45.100 -0.281 0.000 0.671 537 G HN 0.125 nan 8.290 nan 0.000 0.512 538 F N 0.032 120.030 119.950 0.082 0.000 2.561 538 F HA 0.715 5.162 4.527 -0.132 0.000 0.321 538 F C 0.387 176.263 175.800 0.127 0.000 1.065 538 F CA -1.308 56.749 58.000 0.094 0.000 0.934 538 F CB 1.640 40.665 39.000 0.042 0.000 1.215 538 F HN -0.003 nan 8.300 nan 0.000 0.471 539 E N 1.552 121.915 120.200 0.272 0.000 2.360 539 E HA 0.493 4.764 4.350 -0.133 0.000 0.269 539 E C -0.555 176.049 176.600 0.007 0.000 1.022 539 E CA -0.224 56.251 56.400 0.125 0.000 0.887 539 E CB 0.974 30.681 29.700 0.011 0.000 0.990 539 E HN 0.666 nan 8.360 nan 0.000 0.426 540 A N 5.400 128.179 122.820 -0.068 0.000 2.366 540 A HA 0.438 4.679 4.320 -0.133 0.000 0.249 540 A C -2.151 175.195 177.584 -0.396 0.000 1.084 540 A CA -1.287 50.589 52.037 -0.269 0.000 0.794 540 A CB -0.224 18.666 19.000 -0.182 0.000 1.034 540 A HN 0.621 nan 8.150 nan 0.000 0.491 541 P HA 0.090 nan 4.420 nan 0.000 0.265 541 P C 0.659 177.750 177.300 -0.349 0.000 1.193 541 P CA 0.126 62.814 63.100 -0.687 0.000 0.765 541 P CB 0.648 31.590 31.700 -1.263 0.000 0.823 542 E N 3.376 123.465 120.200 -0.185 0.000 2.108 542 E HA -0.300 3.971 4.350 -0.133 0.000 0.203 542 E C 1.069 177.657 176.600 -0.021 0.000 1.022 542 E CA 2.291 58.645 56.400 -0.078 0.000 0.823 542 E CB -0.464 29.207 29.700 -0.048 0.000 0.744 542 E HN 0.518 nan 8.360 nan 0.000 0.456 543 D N -1.112 119.300 120.400 0.018 0.000 2.349 543 D HA -0.129 4.431 4.640 -0.133 0.000 0.224 543 D C -0.198 176.204 176.300 0.170 0.000 1.029 543 D CA -0.041 54.007 54.000 0.080 0.000 0.879 543 D CB -0.552 40.298 40.800 0.084 0.000 0.906 543 D HN 0.164 nan 8.370 nan 0.000 0.528 544 Y N 1.969 122.210 120.300 -0.098 0.000 2.397 544 Y HA 0.133 4.604 4.550 -0.133 0.000 0.335 544 Y C 1.243 177.085 175.900 -0.097 0.000 1.213 544 Y CA -0.883 57.148 58.100 -0.115 0.000 1.391 544 Y CB 0.323 38.683 38.460 -0.165 0.000 1.293 544 Y HN -0.142 nan 8.280 nan 0.000 0.557 545 E N 4.298 124.488 120.200 -0.017 0.000 2.442 545 E HA 0.021 4.292 4.350 -0.133 0.000 0.262 545 E C -2.308 174.285 176.600 -0.011 0.000 1.004 545 E CA -1.544 54.834 56.400 -0.037 0.000 0.928 545 E CB -0.106 29.543 29.700 -0.086 0.000 0.937 545 E HN 0.315 nan 8.360 nan 0.000 0.446 546 P HA -0.063 nan 4.420 nan 0.000 0.265 546 P C -0.074 177.224 177.300 -0.004 0.000 1.193 546 P CA 0.226 63.324 63.100 -0.003 0.000 0.765 546 P CB 0.506 32.200 31.700 -0.009 0.000 0.823 547 S N 2.572 118.278 115.700 0.010 0.000 2.558 547 S HA -0.007 4.384 4.470 -0.133 0.000 0.291 547 S C 1.415 176.031 174.600 0.027 0.000 1.306 547 S CA -0.237 57.972 58.200 0.015 0.000 1.056 547 S CB -0.265 62.958 63.200 0.037 0.000 0.836 547 S HN 0.315 nan 8.310 nan 0.000 0.504 548 L N 4.384 125.620 121.223 0.023 0.000 2.376 548 L HA 0.133 4.393 4.340 -0.133 0.000 0.219 548 L C 0.869 177.784 176.870 0.076 0.000 1.133 548 L CA 0.440 55.298 54.840 0.029 0.000 0.816 548 L CB -0.627 41.438 42.059 0.011 0.000 0.933 548 L HN 0.688 nan 8.230 nan 0.000 0.449 549 I N -3.413 117.213 120.570 0.093 0.000 2.863 549 I HA 0.543 4.633 4.170 -0.133 0.000 0.311 549 I C -0.469 175.779 176.117 0.219 0.000 1.026 549 I CA -0.981 60.400 61.300 0.135 0.000 1.077 549 I CB 1.776 39.808 38.000 0.052 0.000 1.262 549 I HN -0.122 nan 8.210 nan 0.000 0.461 550 Y N 1.627 121.945 120.300 0.030 0.000 2.677 550 Y HA 0.790 5.261 4.550 -0.133 0.000 0.334 550 Y C -1.685 174.240 175.900 0.042 0.000 1.154 550 Y CA -1.670 56.454 58.100 0.041 0.000 1.070 550 Y CB 0.890 39.369 38.460 0.032 0.000 1.294 550 Y HN 0.337 nan 8.280 nan 0.000 0.475 551 V N 2.965 122.823 119.914 -0.095 0.000 2.333 551 V HA 0.265 4.305 4.120 -0.133 0.000 0.274 551 V C 0.023 175.997 176.094 -0.200 0.000 1.028 551 V CA -0.758 61.437 62.300 -0.175 0.000 0.851 551 V CB 0.453 32.285 31.823 0.014 0.000 1.000 551 V HN 0.830 nan 8.190 nan 0.000 0.456 552 E N 0.000 119.969 120.200 -0.386 0.000 2.725 552 E HA 0.000 4.270 4.350 -0.133 0.000 0.291 552 E CA 0.000 56.314 56.400 -0.143 0.000 0.976 552 E CB 0.000 29.611 29.700 -0.148 0.000 0.812 552 E HN 0.000 nan 8.360 nan 0.000 0.440