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 2p83_1_B DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLCGAXXX XXXXXXXASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVE XXXXXXXDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSACH VHDEFRTAAV EGPFVTLDME DCGYNI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.665 176.600 0.108 0.000 1.382 1 E CA 0.000 56.451 56.400 0.085 0.000 0.976 1 E CB 0.000 29.750 29.700 0.084 0.000 0.812 2 M N 1.104 120.758 119.600 0.090 0.000 2.333 2 M HA 0.241 4.721 4.480 0.000 0.000 0.257 2 M C 0.113 176.449 176.300 0.059 0.000 1.078 2 M CA 0.010 55.367 55.300 0.095 0.000 1.005 2 M CB 1.649 34.313 32.600 0.106 0.000 1.444 2 M HN -0.187 nan 8.290 nan 0.000 0.496 3 V N 1.819 121.754 119.914 0.035 0.000 2.715 3 V HA -0.028 4.092 4.120 0.000 0.000 0.299 3 V C 0.567 176.649 176.094 -0.019 0.000 1.054 3 V CA 0.608 62.913 62.300 0.008 0.000 1.077 3 V CB 0.968 32.790 31.823 -0.003 0.000 0.972 3 V HN 0.579 nan 8.190 nan 0.000 0.484 4 D N 2.903 123.289 120.400 -0.023 0.000 2.837 4 D HA -0.185 4.455 4.640 0.000 0.000 0.230 4 D C 0.817 177.077 176.300 -0.066 0.000 1.152 4 D CA 1.075 55.050 54.000 -0.041 0.000 0.736 4 D CB -0.737 40.033 40.800 -0.050 0.000 1.084 4 D HN 0.838 nan 8.370 nan 0.000 0.429 5 N N 0.087 118.763 118.700 -0.041 0.000 2.268 5 N HA 0.070 4.810 4.740 0.000 0.000 0.204 5 N C 0.029 175.528 175.510 -0.018 0.000 1.124 5 N CA 0.028 53.053 53.050 -0.043 0.000 0.838 5 N CB 0.053 38.563 38.487 0.038 0.000 0.994 5 N HN 0.389 nan 8.380 nan 0.000 0.489 6 L N 0.281 121.483 121.223 -0.035 0.000 2.341 6 L HA 0.558 4.898 4.340 0.000 0.000 0.278 6 L C 0.163 176.952 176.870 -0.135 0.000 1.005 6 L CA -0.735 54.070 54.840 -0.058 0.000 0.818 6 L CB 1.920 43.989 42.059 0.017 0.000 1.259 6 L HN -0.071 nan 8.230 nan 0.000 0.418 7 R N 0.791 121.037 120.500 -0.424 0.000 2.922 7 R HA 0.926 5.266 4.340 0.000 0.000 0.256 7 R C -0.428 175.345 176.300 -0.878 0.000 1.138 7 R CA -0.671 55.097 56.100 -0.554 0.000 0.995 7 R CB 2.346 32.353 30.300 -0.488 0.000 1.226 7 R HN 0.811 nan 8.270 nan 0.000 0.481 8 G N 0.175 108.682 108.800 -0.489 0.000 2.352 8 G HA2 0.147 4.107 3.960 0.000 0.000 0.283 8 G HA3 0.147 4.107 3.960 0.000 0.000 0.283 8 G C -1.947 172.875 174.900 -0.130 0.000 1.308 8 G CA -0.981 43.989 45.100 -0.217 0.000 0.892 8 G HN 0.397 nan 8.290 nan 0.000 0.504 9 K N -0.221 120.124 120.400 -0.092 0.000 2.477 9 K HA 0.751 5.071 4.320 0.000 0.000 0.255 9 K C 0.927 177.464 176.600 -0.106 0.000 0.952 9 K CA -0.093 56.146 56.287 -0.079 0.000 0.826 9 K CB 2.090 34.584 32.500 -0.009 0.000 1.331 9 K HN 0.840 nan 8.250 nan 0.000 0.437 10 S N 1.251 116.905 115.700 -0.076 0.000 1.878 10 S HA -0.298 4.172 4.470 0.000 0.000 0.537 10 S C 1.075 175.651 174.600 -0.040 0.000 0.915 10 S CA 2.266 60.442 58.200 -0.041 0.000 3.381 10 S CB -0.922 62.277 63.200 -0.002 0.000 2.352 10 S HN 0.986 nan 8.310 nan 0.000 0.593 11 G N 0.137 108.937 108.800 -0.000 0.000 4.178 11 G HA2 0.508 4.468 3.960 0.000 0.000 0.287 11 G HA3 0.508 4.468 3.960 0.000 0.000 0.287 11 G C 0.179 175.102 174.900 0.039 0.000 1.293 11 G CA -0.220 44.894 45.100 0.022 0.000 1.393 11 G HN 0.606 nan 8.290 nan 0.000 0.623 12 Q N 0.202 120.026 119.800 0.039 0.000 2.110 12 Q HA 0.373 4.713 4.340 0.000 0.000 0.232 12 Q C 0.832 176.971 176.000 0.232 0.000 0.810 12 Q CA 0.010 55.903 55.803 0.150 0.000 1.083 12 Q CB 1.630 30.456 28.738 0.146 0.000 1.193 12 Q HN 0.644 nan 8.270 nan 0.000 0.471 13 G N 0.649 109.476 108.800 0.046 0.000 2.755 13 G HA2 -0.275 3.685 3.960 0.000 0.000 0.686 13 G HA3 -0.275 3.685 3.960 0.000 0.000 0.686 13 G C -1.165 173.673 174.900 -0.102 0.000 1.427 13 G CA -0.854 44.233 45.100 -0.022 0.000 0.873 13 G HN 0.167 nan 8.290 nan 0.000 0.580 14 Y N 0.154 120.393 120.300 -0.101 0.000 2.361 14 Y HA 0.685 5.235 4.550 -0.000 0.000 0.332 14 Y C 0.719 176.547 175.900 -0.119 0.000 1.101 14 Y CA -0.163 57.860 58.100 -0.128 0.000 1.137 14 Y CB 1.751 40.140 38.460 -0.118 0.000 1.207 14 Y HN 0.827 nan 8.280 nan 0.000 0.463 15 Y N -0.061 120.271 120.300 0.052 0.000 2.576 15 Y HA 0.827 5.377 4.550 -0.000 0.000 0.346 15 Y C -1.691 174.234 175.900 0.043 0.000 1.018 15 Y CA -1.822 56.279 58.100 0.002 0.000 1.050 15 Y CB 0.957 39.446 38.460 0.048 0.000 1.280 15 Y HN 0.458 nan 8.280 nan 0.000 0.474 16 V N 1.504 121.568 119.914 0.249 0.000 2.914 16 V HA 0.457 4.577 4.120 0.000 0.000 0.314 16 V C -0.856 175.367 176.094 0.215 0.000 1.084 16 V CA -0.834 61.571 62.300 0.175 0.000 0.963 16 V CB 1.850 33.708 31.823 0.058 0.000 1.025 16 V HN 1.012 nan 8.190 nan 0.000 0.432 17 E N 5.047 125.373 120.200 0.210 0.000 2.331 17 E HA 0.526 4.876 4.350 0.000 0.000 0.272 17 E C -0.866 175.783 176.600 0.083 0.000 1.036 17 E CA -0.310 56.190 56.400 0.168 0.000 0.864 17 E CB 0.998 30.817 29.700 0.198 0.000 1.035 17 E HN 0.711 nan 8.360 nan 0.000 0.408 18 M N 2.034 121.669 119.600 0.057 0.000 2.575 18 M HA 0.322 4.802 4.480 0.000 0.000 0.284 18 M C -0.894 175.428 176.300 0.036 0.000 1.253 18 M CA -0.926 54.386 55.300 0.020 0.000 0.861 18 M CB 2.571 35.165 32.600 -0.010 0.000 1.733 18 M HN 0.605 nan 8.290 nan 0.000 0.462 19 T N -0.320 114.253 114.554 0.032 0.000 2.876 19 T HA 0.840 5.190 4.350 0.000 0.000 0.289 19 T C -0.743 173.984 174.700 0.045 0.000 1.014 19 T CA -0.806 61.315 62.100 0.035 0.000 0.986 19 T CB 1.675 70.560 68.868 0.029 0.000 1.021 19 T HN 0.718 nan 8.240 nan 0.000 0.458 20 V N -1.266 118.659 119.914 0.019 0.000 2.841 20 V HA 0.984 5.104 4.120 0.000 0.000 0.310 20 V C 0.320 176.452 176.094 0.064 0.000 1.090 20 V CA 0.152 62.448 62.300 -0.008 0.000 0.930 20 V CB 0.749 32.425 31.823 -0.245 0.000 1.014 20 V HN 2.094 nan 8.190 nan 0.000 0.425 21 G N 3.036 111.911 108.800 0.125 0.000 2.756 21 G HA2 0.177 4.137 3.960 0.000 0.000 0.678 21 G HA3 0.177 4.137 3.960 0.000 0.000 0.678 21 G C -0.428 174.548 174.900 0.126 0.000 1.349 21 G CA -0.305 44.908 45.100 0.189 0.000 0.847 21 G HN 1.893 nan 8.290 nan 0.000 0.548 22 S N 2.369 118.140 115.700 0.118 0.000 2.707 22 S HA 0.713 5.183 4.470 0.000 0.000 0.303 22 S C -2.130 172.509 174.600 0.065 0.000 1.132 22 S CA -0.576 57.672 58.200 0.080 0.000 1.046 22 S CB 2.719 65.963 63.200 0.072 0.000 1.004 22 S HN 0.822 nan 8.310 nan 0.000 0.483 23 P HA 0.295 nan 4.420 nan 0.000 0.272 23 P C -2.912 174.420 177.300 0.053 0.000 1.240 23 P CA -1.646 61.480 63.100 0.043 0.000 0.791 23 P CB -0.764 30.953 31.700 0.028 0.000 0.978 24 P HA 0.049 nan 4.420 nan 0.000 0.260 24 P C -0.471 176.857 177.300 0.045 0.000 1.172 24 P CA 0.861 63.989 63.100 0.047 0.000 0.760 24 P CB 0.085 31.804 31.700 0.031 0.000 0.773 25 Q N 1.625 121.461 119.800 0.059 0.000 2.333 25 Q HA 0.326 4.666 4.340 0.000 0.000 0.265 25 Q C -0.378 175.647 176.000 0.041 0.000 0.989 25 Q CA -0.482 55.355 55.803 0.057 0.000 0.842 25 Q CB 1.355 30.162 28.738 0.114 0.000 1.262 25 Q HN 0.341 nan 8.270 nan 0.000 0.451 26 T N 3.759 118.331 114.554 0.030 0.000 2.856 26 T HA 0.568 4.918 4.350 0.000 0.000 0.292 26 T C -0.343 174.377 174.700 0.033 0.000 0.980 26 T CA -0.213 61.906 62.100 0.031 0.000 1.091 26 T CB 0.298 69.183 68.868 0.028 0.000 0.936 26 T HN 0.342 nan 8.240 nan 0.000 0.503 27 L N 3.122 124.372 121.223 0.044 0.000 2.505 27 L HA 0.451 4.791 4.340 0.000 0.000 0.259 27 L C -0.648 176.261 176.870 0.066 0.000 0.952 27 L CA -1.228 53.642 54.840 0.050 0.000 0.840 27 L CB 2.047 44.140 42.059 0.056 0.000 1.358 27 L HN 0.430 nan 8.230 nan 0.000 0.409 28 N N 3.425 122.147 118.700 0.037 0.000 2.414 28 N HA 0.412 5.152 4.740 0.000 0.000 0.256 28 N C -0.831 174.751 175.510 0.120 0.000 1.029 28 N CA -0.338 52.726 53.050 0.024 0.000 0.948 28 N CB 1.501 39.785 38.487 -0.338 0.000 1.102 28 N HN 0.327 nan 8.380 nan 0.000 0.496 29 I N 2.556 123.220 120.570 0.157 0.000 2.321 29 I HA 0.256 4.426 4.170 0.000 0.000 0.291 29 I C 0.615 176.752 176.117 0.034 0.000 0.998 29 I CA -0.881 60.498 61.300 0.132 0.000 1.227 29 I CB 1.069 39.130 38.000 0.102 0.000 1.368 29 I HN 0.293 nan 8.210 nan 0.000 0.466 30 L N 7.274 128.387 121.223 -0.183 0.000 2.462 30 L HA 0.164 4.504 4.340 0.000 0.000 0.272 30 L C -0.172 176.541 176.870 -0.263 0.000 1.166 30 L CA -0.066 54.491 54.840 -0.471 0.000 0.880 30 L CB 0.724 41.999 42.059 -1.306 0.000 1.142 30 L HN 0.319 nan 8.230 nan 0.000 0.473 31 V N 5.053 124.859 119.914 -0.179 0.000 2.415 31 V HA 0.120 4.240 4.120 0.000 0.000 0.267 31 V C -0.208 175.793 176.094 -0.154 0.000 1.042 31 V CA -0.021 62.182 62.300 -0.161 0.000 1.000 31 V CB 0.867 32.614 31.823 -0.127 0.000 1.015 31 V HN 0.723 nan 8.190 nan 0.000 0.478 32 D N 3.301 123.616 120.400 -0.142 0.000 2.440 32 D HA 0.233 4.873 4.640 0.000 0.000 0.252 32 D C 1.063 177.337 176.300 -0.044 0.000 1.180 32 D CA -0.205 53.747 54.000 -0.081 0.000 0.894 32 D CB 1.727 42.497 40.800 -0.049 0.000 1.111 32 D HN 0.568 nan 8.370 nan 0.000 0.544 33 T N -0.103 114.428 114.554 -0.039 0.000 3.148 33 T HA 0.139 4.489 4.350 0.000 0.000 0.253 33 T C 1.583 176.420 174.700 0.227 0.000 1.134 33 T CA 0.369 62.499 62.100 0.050 0.000 1.051 33 T CB 0.177 68.954 68.868 -0.152 0.000 0.959 33 T HN 0.293 nan 8.240 nan 0.000 0.525 34 G N 0.887 109.782 108.800 0.158 0.000 2.939 34 G HA2 0.384 4.344 3.960 0.000 0.000 0.210 34 G HA3 0.384 4.344 3.960 0.000 0.000 0.210 34 G C 0.488 175.534 174.900 0.244 0.000 1.160 34 G CA 0.234 45.461 45.100 0.212 0.000 0.770 34 G HN 0.767 nan 8.290 nan 0.000 0.543 35 S N -1.951 113.855 115.700 0.177 0.000 2.794 35 S HA 0.645 5.115 4.470 0.000 0.000 0.299 35 S C -0.078 174.572 174.600 0.083 0.000 1.179 35 S CA -0.298 57.998 58.200 0.161 0.000 0.838 35 S CB 1.810 65.212 63.200 0.337 0.000 1.206 35 S HN -0.084 nan 8.310 nan 0.000 0.523 36 S N 0.150 115.893 115.700 0.071 0.000 2.937 36 S HA 0.396 4.866 4.470 0.000 0.000 0.252 36 S C -0.677 174.005 174.600 0.137 0.000 1.022 36 S CA -0.455 57.784 58.200 0.065 0.000 1.079 36 S CB -0.413 62.797 63.200 0.016 0.000 1.035 36 S HN 0.653 nan 8.310 nan 0.000 0.594 37 N N 1.270 120.093 118.700 0.205 0.000 2.399 37 N HA 0.451 5.191 4.740 0.000 0.000 0.295 37 N C -1.347 174.390 175.510 0.379 0.000 1.048 37 N CA -0.440 52.785 53.050 0.290 0.000 0.886 37 N CB 1.121 39.814 38.487 0.342 0.000 1.185 37 N HN 0.292 nan 8.380 nan 0.000 0.487 38 F N 2.141 122.187 119.950 0.160 0.000 2.371 38 F HA 0.665 5.192 4.527 -0.000 0.000 0.363 38 F C -0.428 175.402 175.800 0.050 0.000 1.122 38 F CA -0.672 57.380 58.000 0.087 0.000 1.129 38 F CB 0.293 39.345 39.000 0.087 0.000 1.173 38 F HN 0.457 nan 8.300 nan 0.000 0.489 39 A N 5.829 128.605 122.820 -0.073 0.000 2.475 39 A HA 0.781 5.101 4.320 0.000 0.000 0.301 39 A C -1.405 175.958 177.584 -0.368 0.000 1.059 39 A CA -0.551 51.234 52.037 -0.420 0.000 0.710 39 A CB 1.816 20.355 19.000 -0.769 0.000 1.288 39 A HN 0.896 nan 8.150 nan 0.000 0.408 40 V N -0.859 118.834 119.914 -0.369 0.000 3.007 40 V HA 0.919 5.039 4.120 0.000 0.000 0.311 40 V C 0.363 176.474 176.094 0.027 0.000 1.120 40 V CA -0.303 61.928 62.300 -0.114 0.000 0.980 40 V CB 1.265 32.970 31.823 -0.196 0.000 1.033 40 V HN 1.722 nan 8.190 nan 0.000 0.429 41 G N 1.277 110.209 108.800 0.220 0.000 2.340 41 G HA2 0.520 4.480 3.960 0.000 0.000 0.245 41 G HA3 0.520 4.480 3.960 0.000 0.000 0.245 41 G C 0.513 175.492 174.900 0.131 0.000 1.294 41 G CA 0.191 45.402 45.100 0.185 0.000 0.896 41 G HN 1.933 nan 8.290 nan 0.000 0.522 42 A N 1.456 124.285 122.820 0.014 0.000 2.609 42 A HA 0.782 5.102 4.320 0.000 0.000 0.286 42 A C 0.679 178.092 177.584 -0.284 0.000 1.138 42 A CA 0.705 52.752 52.037 0.016 0.000 0.960 42 A CB 0.173 19.171 19.000 -0.004 0.000 1.208 42 A HN 1.917 nan 8.150 nan 0.000 0.541 43 A N 0.640 123.050 122.820 -0.683 0.000 2.589 43 A HA 0.721 5.041 4.320 0.000 0.000 0.296 43 A C -3.239 173.704 177.584 -1.068 0.000 1.062 43 A CA -1.353 50.112 52.037 -0.952 0.000 0.686 43 A CB 0.914 19.694 19.000 -0.368 0.000 1.282 43 A HN 0.041 nan 8.150 nan 0.000 0.404 44 P HA 0.091 nan 4.420 nan 0.000 0.266 44 P C -0.861 176.330 177.300 -0.182 0.000 1.186 44 P CA 0.733 63.615 63.100 -0.363 0.000 0.767 44 P CB 0.334 31.976 31.700 -0.098 0.000 0.820 45 H N 2.430 121.365 119.070 -0.224 0.000 3.046 45 H HA 0.227 4.783 4.556 -0.000 0.000 0.363 45 H C -2.126 173.081 175.328 -0.203 0.000 1.203 45 H CA -1.614 54.298 56.048 -0.226 0.000 1.169 45 H CB 2.032 31.615 29.762 -0.299 0.000 1.851 45 H HN 0.059 nan 8.280 nan 0.000 0.546 46 P HA -0.066 nan 4.420 nan 0.000 0.218 46 P C 0.941 178.312 177.300 0.118 0.000 1.146 46 P CA 1.394 64.335 63.100 -0.266 0.000 0.813 46 P CB 0.004 31.384 31.700 -0.532 0.000 0.778 47 F N -2.182 117.863 119.950 0.158 0.000 2.749 47 F HA 0.167 4.694 4.527 0.000 0.000 0.300 47 F C 0.976 176.536 175.800 -0.399 0.000 1.103 47 F CA -0.638 57.309 58.000 -0.087 0.000 1.342 47 F CB 0.285 39.275 39.000 -0.018 0.000 1.098 47 F HN -0.212 nan 8.300 nan 0.000 0.586 48 L N 0.519 121.629 121.223 -0.187 0.000 2.325 48 L HA 0.243 4.583 4.340 0.000 0.000 0.279 48 L C 0.991 177.690 176.870 -0.285 0.000 1.054 48 L CA -0.568 54.064 54.840 -0.348 0.000 0.804 48 L CB 0.982 42.845 42.059 -0.327 0.000 1.200 48 L HN 0.101 nan 8.230 nan 0.000 0.436 49 H N 2.641 121.672 119.070 -0.065 0.000 2.595 49 H HA 0.190 4.746 4.556 0.000 0.000 0.265 49 H C 0.016 175.319 175.328 -0.040 0.000 0.953 49 H CA 0.209 56.232 56.048 -0.043 0.000 1.197 49 H CB 0.622 30.347 29.762 -0.062 0.000 1.438 49 H HN 0.565 nan 8.280 nan 0.000 0.531 50 R N -0.497 120.034 120.500 0.052 0.000 2.712 50 R HA 0.378 4.718 4.340 0.000 0.000 0.272 50 R C -1.991 174.333 176.300 0.041 0.000 1.032 50 R CA -1.029 55.060 56.100 -0.019 0.000 0.874 50 R CB 1.544 31.826 30.300 -0.031 0.000 1.256 50 R HN -0.016 nan 8.270 nan 0.000 0.468 51 Y N -1.535 118.750 120.300 -0.024 0.000 2.558 51 Y HA 0.429 4.979 4.550 0.000 0.000 0.333 51 Y C -1.463 174.469 175.900 0.053 0.000 1.125 51 Y CA -1.758 56.336 58.100 -0.011 0.000 1.039 51 Y CB 0.466 38.891 38.460 -0.058 0.000 1.331 51 Y HN 0.646 nan 8.280 nan 0.000 0.456 52 Y N 3.296 123.675 120.300 0.132 0.000 2.895 52 Y HA 0.154 4.704 4.550 -0.000 0.000 0.334 52 Y C -0.309 175.640 175.900 0.081 0.000 1.261 52 Y CA 0.241 58.367 58.100 0.042 0.000 1.560 52 Y CB 0.685 39.144 38.460 -0.001 0.000 1.253 52 Y HN 0.766 nan 8.280 nan 0.000 0.582 53 Q N 7.177 126.842 119.800 -0.226 0.000 2.700 53 Q HA 0.253 4.593 4.340 0.000 0.000 0.249 53 Q C 0.989 176.655 176.000 -0.556 0.000 1.033 53 Q CA -0.460 55.145 55.803 -0.330 0.000 0.804 53 Q CB 0.868 29.489 28.738 -0.195 0.000 1.164 53 Q HN 0.815 nan 8.270 nan 0.000 0.500 54 R N 1.037 120.963 120.500 -0.957 0.000 2.153 54 R HA -0.263 4.077 4.340 0.000 0.000 0.252 54 R C 2.155 178.190 176.300 -0.443 0.000 1.158 54 R CA 2.009 57.540 56.100 -0.947 0.000 0.975 54 R CB -0.012 29.488 30.300 -1.332 0.000 0.871 54 R HN 0.590 nan 8.270 nan 0.000 0.450 55 Q N 0.947 120.564 119.800 -0.305 0.000 2.297 55 Q HA -0.171 4.169 4.340 0.000 0.000 0.208 55 Q C 1.590 177.538 176.000 -0.087 0.000 0.981 55 Q CA 1.527 57.243 55.803 -0.144 0.000 0.876 55 Q CB -0.168 28.507 28.738 -0.105 0.000 0.921 55 Q HN 0.467 nan 8.270 nan 0.000 0.446 56 L N 0.791 121.953 121.223 -0.102 0.000 2.567 56 L HA 0.215 4.555 4.340 0.000 0.000 0.225 56 L C 1.058 177.930 176.870 0.003 0.000 1.119 56 L CA -0.131 54.683 54.840 -0.043 0.000 0.871 56 L CB 0.367 42.398 42.059 -0.047 0.000 1.036 56 L HN -0.001 nan 8.230 nan 0.000 0.459 57 S N -0.296 115.413 115.700 0.015 0.000 2.438 57 S HA 0.167 4.638 4.470 0.000 0.000 0.293 57 S C 1.205 175.876 174.600 0.117 0.000 1.141 57 S CA -0.362 57.897 58.200 0.099 0.000 1.080 57 S CB 1.262 64.578 63.200 0.193 0.000 0.978 57 S HN 0.300 nan 8.310 nan 0.000 0.479 58 S N 2.975 118.733 115.700 0.097 0.000 2.489 58 S HA -0.059 4.411 4.470 0.000 0.000 0.228 58 S C 1.355 176.015 174.600 0.101 0.000 0.995 58 S CA 0.876 59.127 58.200 0.086 0.000 0.934 58 S CB -0.628 62.607 63.200 0.059 0.000 0.771 58 S HN 0.839 nan 8.310 nan 0.000 0.522 59 T N -1.919 112.711 114.554 0.126 0.000 3.086 59 T HA 0.230 4.580 4.350 0.000 0.000 0.250 59 T C 0.288 175.079 174.700 0.152 0.000 1.074 59 T CA -0.555 61.614 62.100 0.115 0.000 0.988 59 T CB -0.659 68.271 68.868 0.104 0.000 0.988 59 T HN 0.450 nan 8.240 nan 0.000 0.530 60 Y N 2.908 123.257 120.300 0.082 0.000 2.426 60 Y HA 0.427 4.977 4.550 0.000 0.000 0.344 60 Y C 0.174 176.113 175.900 0.064 0.000 1.256 60 Y CA -1.011 57.146 58.100 0.096 0.000 1.451 60 Y CB 0.513 39.022 38.460 0.082 0.000 1.342 60 Y HN 0.023 nan 8.280 nan 0.000 0.600 61 R N 4.203 124.114 120.500 -0.981 0.000 2.569 61 R HA 0.108 4.448 4.340 0.000 0.000 0.293 61 R C -1.762 173.974 176.300 -0.941 0.000 1.186 61 R CA -0.870 54.793 56.100 -0.729 0.000 0.956 61 R CB 0.959 31.081 30.300 -0.296 0.000 1.196 61 R HN 0.667 nan 8.270 nan 0.000 0.444 62 D N 3.695 123.651 120.400 -0.741 0.000 2.358 62 D HA 0.025 4.665 4.640 0.000 0.000 0.258 62 D C 0.855 177.083 176.300 -0.120 0.000 1.223 62 D CA 0.148 53.986 54.000 -0.271 0.000 0.886 62 D CB 1.118 41.939 40.800 0.035 0.000 1.120 62 D HN 0.522 nan 8.370 nan 0.000 0.482 63 L N 3.714 124.906 121.223 -0.052 0.000 2.599 63 L HA 0.067 4.408 4.340 0.000 0.000 0.230 63 L C 1.274 178.153 176.870 0.015 0.000 1.141 63 L CA 0.084 54.916 54.840 -0.014 0.000 0.877 63 L CB -0.115 41.952 42.059 0.013 0.000 1.009 63 L HN 0.495 nan 8.230 nan 0.000 0.447 64 R N -0.206 120.313 120.500 0.032 0.000 3.758 64 R HA -0.190 4.150 4.340 0.000 0.000 0.299 64 R C -0.327 176.000 176.300 0.045 0.000 1.182 64 R CA 0.878 57.002 56.100 0.041 0.000 0.809 64 R CB -1.631 28.684 30.300 0.025 0.000 1.249 64 R HN 0.332 nan 8.270 nan 0.000 0.497 65 K N -0.377 120.056 120.400 0.056 0.000 2.318 65 K HA 0.521 4.842 4.320 0.000 0.000 0.249 65 K C 0.490 177.135 176.600 0.076 0.000 0.942 65 K CA -0.213 56.109 56.287 0.057 0.000 0.808 65 K CB 2.057 34.589 32.500 0.054 0.000 1.189 65 K HN 0.122 nan 8.250 nan 0.000 0.428 66 G N 0.295 109.139 108.800 0.073 0.000 2.528 66 G HA2 0.541 4.501 3.960 0.000 0.000 0.289 66 G HA3 0.541 4.501 3.960 0.000 0.000 0.289 66 G C -1.208 173.760 174.900 0.115 0.000 1.192 66 G CA -0.415 44.741 45.100 0.093 0.000 0.921 66 G HN 0.349 nan 8.290 nan 0.000 0.512 67 V N -0.062 119.948 119.914 0.161 0.000 3.000 67 V HA 0.702 4.822 4.120 0.000 0.000 0.300 67 V C -2.204 174.020 176.094 0.216 0.000 1.251 67 V CA -0.924 61.484 62.300 0.179 0.000 0.972 67 V CB 1.858 33.818 31.823 0.228 0.000 1.065 67 V HN 0.942 nan 8.190 nan 0.000 0.431 68 Y N 5.088 125.333 120.300 -0.092 0.000 2.421 68 Y HA 0.809 5.359 4.550 0.000 0.000 0.339 68 Y C -1.500 174.082 175.900 -0.530 0.000 0.996 68 Y CA -0.675 57.269 58.100 -0.259 0.000 1.046 68 Y CB 2.284 40.648 38.460 -0.160 0.000 1.226 68 Y HN 0.520 nan 8.280 nan 0.000 0.445 69 V N 8.633 127.537 119.914 -1.683 0.000 2.482 69 V HA 0.487 4.607 4.120 0.000 0.000 0.295 69 V C -2.583 172.465 176.094 -1.743 0.000 1.026 69 V CA -1.580 59.709 62.300 -1.686 0.000 0.856 69 V CB 2.013 32.694 31.823 -1.904 0.000 1.001 69 V HN 0.664 nan 8.190 nan 0.000 0.424 70 P HA 0.480 nan 4.420 nan 0.000 0.301 70 P C -1.517 175.457 177.300 -0.544 0.000 1.348 70 P CA -0.426 62.234 63.100 -0.732 0.000 0.826 70 P CB 1.220 32.724 31.700 -0.327 0.000 0.945 71 Y N 0.364 120.539 120.300 -0.208 0.000 2.565 71 Y HA 0.245 4.795 4.550 0.000 0.000 0.325 71 Y C 2.455 178.338 175.900 -0.028 0.000 1.221 71 Y CA -0.191 57.861 58.100 -0.081 0.000 1.316 71 Y CB 0.081 38.538 38.460 -0.006 0.000 1.404 71 Y HN 0.215 nan 8.280 nan 0.000 0.527 72 T N -0.323 114.342 114.554 0.185 0.000 2.684 72 T HA -0.228 4.122 4.350 0.000 0.000 0.267 72 T C 1.495 176.255 174.700 0.101 0.000 1.036 72 T CA 1.994 64.150 62.100 0.094 0.000 1.148 72 T CB -0.140 68.763 68.868 0.058 0.000 0.863 72 T HN 0.537 nan 8.240 nan 0.000 0.436 73 Q N 0.458 120.341 119.800 0.137 0.000 1.506 73 Q HA 0.329 4.669 4.340 0.000 0.000 0.553 73 Q C 1.373 177.472 176.000 0.164 0.000 0.912 73 Q CA 1.223 57.103 55.803 0.127 0.000 0.898 73 Q CB -0.960 27.843 28.738 0.109 0.000 1.064 73 Q HN 0.416 nan 8.270 nan 0.000 0.369 74 G N -0.592 108.344 108.800 0.227 0.000 2.494 74 G HA2 0.521 4.481 3.960 0.000 0.000 0.270 74 G HA3 0.521 4.481 3.960 0.000 0.000 0.270 74 G C -1.049 174.001 174.900 0.250 0.000 1.423 74 G CA -0.383 44.874 45.100 0.262 0.000 1.055 74 G HN 0.333 nan 8.290 nan 0.000 0.536 75 K N -1.050 119.463 120.400 0.189 0.000 2.575 75 K HA 0.440 4.760 4.320 0.000 0.000 0.279 75 K C -1.507 175.075 176.600 -0.029 0.000 0.969 75 K CA -0.810 55.435 56.287 -0.070 0.000 0.868 75 K CB 2.667 35.156 32.500 -0.020 0.000 1.457 75 K HN 0.843 nan 8.250 nan 0.000 0.426 76 W N 0.773 121.914 121.300 -0.266 0.000 3.248 76 W HA 0.461 5.121 4.660 0.000 0.000 0.311 76 W C -1.645 174.790 176.519 -0.139 0.000 1.258 76 W CA -0.668 56.538 57.345 -0.231 0.000 1.191 76 W CB 1.075 30.230 29.460 -0.507 0.000 1.389 76 W HN 0.758 nan 8.180 nan 0.000 0.561 77 E N 1.810 122.309 120.200 0.498 0.000 2.317 77 E HA 0.842 5.192 4.350 0.000 0.000 0.270 77 E C -0.678 176.159 176.600 0.394 0.000 0.885 77 E CA -0.804 55.869 56.400 0.456 0.000 0.760 77 E CB 2.666 32.561 29.700 0.324 0.000 1.227 77 E HN 0.796 nan 8.360 nan 0.000 0.434 78 G N 0.935 109.939 108.800 0.340 0.000 2.554 78 G HA2 0.336 4.296 3.960 0.000 0.000 0.306 78 G HA3 0.336 4.296 3.960 0.000 0.000 0.306 78 G C -1.613 173.378 174.900 0.151 0.000 1.320 78 G CA -0.753 44.452 45.100 0.176 0.000 0.800 78 G HN 0.503 nan 8.290 nan 0.000 0.481 79 E N -0.084 120.178 120.200 0.102 0.000 2.175 79 E HA 0.603 4.953 4.350 0.000 0.000 0.278 79 E C -0.321 176.361 176.600 0.137 0.000 0.969 79 E CA -0.550 55.918 56.400 0.115 0.000 0.796 79 E CB 1.167 30.928 29.700 0.101 0.000 1.104 79 E HN 0.403 nan 8.360 nan 0.000 0.395 80 L N 3.431 124.737 121.223 0.138 0.000 2.395 80 L HA 0.762 5.102 4.340 0.000 0.000 0.269 80 L C 0.768 177.724 176.870 0.142 0.000 1.133 80 L CA 0.092 55.014 54.840 0.135 0.000 0.812 80 L CB 1.207 43.333 42.059 0.112 0.000 1.125 80 L HN 0.766 nan 8.230 nan 0.000 0.452 81 G N 0.432 109.316 108.800 0.140 0.000 2.430 81 G HA2 0.516 4.476 3.960 0.000 0.000 0.300 81 G HA3 0.516 4.476 3.960 0.000 0.000 0.300 81 G C -1.267 173.684 174.900 0.085 0.000 1.330 81 G CA -0.038 45.107 45.100 0.074 0.000 0.813 81 G HN 0.595 nan 8.290 nan 0.000 0.487 82 T N -2.123 112.436 114.554 0.008 0.000 2.901 82 T HA 0.802 5.152 4.350 0.000 0.000 0.293 82 T C -1.476 173.294 174.700 0.117 0.000 1.084 82 T CA -0.601 61.542 62.100 0.072 0.000 1.008 82 T CB 2.913 71.799 68.868 0.030 0.000 1.170 82 T HN 0.815 nan 8.240 nan 0.000 0.509 83 D N -0.488 120.005 120.400 0.154 0.000 2.742 83 D HA 0.260 4.901 4.640 0.000 0.000 0.262 83 D C -1.085 175.307 176.300 0.152 0.000 1.240 83 D CA -0.669 53.440 54.000 0.183 0.000 0.752 83 D CB 1.405 42.379 40.800 0.290 0.000 1.290 83 D HN 0.723 nan 8.370 nan 0.000 0.420 84 L N 0.993 122.297 121.223 0.134 0.000 2.410 84 L HA 0.479 4.819 4.340 0.000 0.000 0.273 84 L C 0.004 176.955 176.870 0.135 0.000 1.152 84 L CA -0.469 54.440 54.840 0.114 0.000 0.855 84 L CB 0.843 42.955 42.059 0.088 0.000 1.129 84 L HN 0.092 nan 8.230 nan 0.000 0.463 85 V N 2.360 122.371 119.914 0.161 0.000 2.735 85 V HA 0.538 4.658 4.120 0.000 0.000 0.310 85 V C -0.225 175.961 176.094 0.153 0.000 1.061 85 V CA -0.373 62.044 62.300 0.196 0.000 0.913 85 V CB 2.227 34.268 31.823 0.363 0.000 1.005 85 V HN 0.839 nan 8.190 nan 0.000 0.428 86 S N 3.704 119.465 115.700 0.102 0.000 2.564 86 S HA 0.703 5.173 4.470 0.000 0.000 0.274 86 S C -0.894 173.724 174.600 0.031 0.000 1.124 86 S CA -0.498 57.742 58.200 0.068 0.000 0.869 86 S CB 1.801 65.026 63.200 0.041 0.000 1.105 86 S HN 0.544 nan 8.310 nan 0.000 0.472 87 I N 3.329 123.915 120.570 0.027 0.000 2.405 87 I HA 0.276 4.446 4.170 0.000 0.000 0.280 87 I C -1.965 174.138 176.117 -0.022 0.000 1.027 87 I CA -2.272 59.029 61.300 0.003 0.000 1.161 87 I CB 1.676 39.688 38.000 0.020 0.000 1.300 87 I HN 0.395 nan 8.210 nan 0.000 0.463 88 P HA -0.192 nan 4.420 nan 0.000 0.216 88 P C 0.596 177.680 177.300 -0.361 0.000 1.157 88 P CA 1.613 64.568 63.100 -0.241 0.000 0.880 88 P CB 0.073 31.586 31.700 -0.311 0.000 0.791 89 H N -1.393 117.700 119.070 0.037 0.000 2.507 89 H HA 0.521 5.077 4.556 -0.000 0.000 0.271 89 H C 0.925 176.278 175.328 0.041 0.000 1.224 89 H CA 0.025 56.096 56.048 0.038 0.000 1.000 89 H CB -0.027 29.758 29.762 0.038 0.000 1.663 89 H HN 0.111 nan 8.280 nan 0.000 0.548 90 G N 0.853 109.709 108.800 0.094 0.000 3.166 90 G HA2 0.327 4.287 3.960 0.000 0.000 0.267 90 G HA3 0.327 4.287 3.960 0.000 0.000 0.267 90 G C -2.648 172.295 174.900 0.072 0.000 1.256 90 G CA -1.358 43.796 45.100 0.090 0.000 0.859 90 G HN -0.078 nan 8.290 nan 0.000 0.590 91 P HA 0.094 nan 4.420 nan 0.000 0.269 91 P C -0.673 176.650 177.300 0.038 0.000 1.215 91 P CA -0.267 62.866 63.100 0.055 0.000 0.780 91 P CB 0.665 32.394 31.700 0.049 0.000 0.898 92 N N 1.005 119.725 118.700 0.032 0.000 3.254 92 N HA 0.162 4.902 4.740 0.000 0.000 0.308 92 N C 0.126 175.648 175.510 0.020 0.000 1.281 92 N CA 0.068 53.131 53.050 0.023 0.000 1.212 92 N CB -0.401 38.099 38.487 0.022 0.000 1.478 92 N HN 0.269 nan 8.380 nan 0.000 0.548 93 V N -2.506 117.419 119.914 0.018 0.000 3.141 93 V HA 0.727 4.847 4.120 0.000 0.000 0.312 93 V C -0.071 176.031 176.094 0.014 0.000 1.157 93 V CA -0.692 61.613 62.300 0.009 0.000 1.041 93 V CB 2.235 34.051 31.823 -0.011 0.000 1.071 93 V HN 0.038 nan 8.190 nan 0.000 0.441 94 T N 1.861 116.418 114.554 0.006 0.000 2.937 94 T HA 0.703 5.053 4.350 0.000 0.000 0.297 94 T C -0.595 174.104 174.700 -0.002 0.000 0.991 94 T CA -0.263 61.849 62.100 0.020 0.000 0.990 94 T CB 1.307 70.191 68.868 0.026 0.000 0.991 94 T HN 1.553 nan 8.240 nan 0.000 0.440 95 V N 1.489 121.404 119.914 0.002 0.000 3.001 95 V HA 0.775 4.895 4.120 0.000 0.000 0.314 95 V C -0.396 175.705 176.094 0.013 0.000 1.099 95 V CA -1.489 60.785 62.300 -0.043 0.000 0.989 95 V CB 2.036 33.757 31.823 -0.169 0.000 1.040 95 V HN 0.834 nan 8.190 nan 0.000 0.434 96 R N 2.045 122.543 120.500 -0.004 0.000 2.297 96 R HA 0.820 5.160 4.340 0.000 0.000 0.308 96 R C -0.392 175.933 176.300 0.041 0.000 1.029 96 R CA 0.334 56.458 56.100 0.040 0.000 0.929 96 R CB 1.191 31.505 30.300 0.023 0.000 1.046 96 R HN 1.321 nan 8.270 nan 0.000 0.461 97 A N 3.784 126.681 122.820 0.128 0.000 2.556 97 A HA 0.346 4.666 4.320 0.000 0.000 0.294 97 A C -1.189 176.530 177.584 0.225 0.000 1.091 97 A CA -1.033 51.108 52.037 0.174 0.000 0.704 97 A CB 1.348 20.526 19.000 0.297 0.000 1.300 97 A HN 0.926 nan 8.150 nan 0.000 0.406 98 N N -0.087 118.739 118.700 0.209 0.000 2.458 98 N HA 0.412 5.152 4.740 0.000 0.000 0.258 98 N C -0.949 174.693 175.510 0.220 0.000 1.219 98 N CA 0.686 53.847 53.050 0.186 0.000 0.902 98 N CB 0.387 38.971 38.487 0.163 0.000 1.076 98 N HN 0.496 nan 8.380 nan 0.000 0.455 99 I N 1.283 121.924 120.570 0.118 0.000 2.512 99 I HA 0.330 4.500 4.170 0.000 0.000 0.287 99 I C -0.567 175.543 176.117 -0.011 0.000 1.069 99 I CA -0.909 60.359 61.300 -0.054 0.000 1.056 99 I CB 1.878 39.791 38.000 -0.144 0.000 1.229 99 I HN 0.474 nan 8.210 nan 0.000 0.429 100 A N 5.213 127.978 122.820 -0.091 0.000 2.343 100 A HA 0.707 5.027 4.320 0.000 0.000 0.305 100 A C 0.464 177.933 177.584 -0.192 0.000 1.308 100 A CA -0.394 51.602 52.037 -0.069 0.000 0.949 100 A CB 0.299 19.279 19.000 -0.034 0.000 1.148 100 A HN 0.812 nan 8.150 nan 0.000 0.545 101 A N 4.325 127.124 122.820 -0.035 0.000 2.544 101 A HA 0.460 4.780 4.320 0.000 0.000 0.301 101 A C 0.295 177.829 177.584 -0.083 0.000 1.368 101 A CA -0.275 51.758 52.037 -0.008 0.000 1.045 101 A CB -0.675 18.358 19.000 0.054 0.000 1.129 101 A HN 0.783 nan 8.150 nan 0.000 0.540 102 I N 3.195 123.648 120.570 -0.194 0.000 2.742 102 I HA -0.052 4.118 4.170 0.000 0.000 0.287 102 I C 1.647 177.747 176.117 -0.028 0.000 1.186 102 I CA 0.764 61.955 61.300 -0.182 0.000 1.417 102 I CB 0.732 38.567 38.000 -0.275 0.000 1.377 102 I HN 0.833 nan 8.210 nan 0.000 0.556 103 T N 1.292 115.861 114.554 0.025 0.000 2.978 103 T HA 0.280 4.630 4.350 0.000 0.000 0.248 103 T C 0.424 175.166 174.700 0.070 0.000 1.018 103 T CA -0.139 61.974 62.100 0.022 0.000 1.026 103 T CB 0.325 69.206 68.868 0.021 0.000 1.032 103 T HN 0.542 nan 8.240 nan 0.000 0.485 104 E N 0.865 121.144 120.200 0.131 0.000 2.343 104 E HA 0.632 4.982 4.350 0.000 0.000 0.278 104 E C -1.386 175.348 176.600 0.224 0.000 0.910 104 E CA -0.733 55.765 56.400 0.164 0.000 0.757 104 E CB 2.474 32.252 29.700 0.130 0.000 1.218 104 E HN 0.393 nan 8.360 nan 0.000 0.435 105 S N 1.381 117.230 115.700 0.248 0.000 2.565 105 S HA 0.586 5.056 4.470 0.000 0.000 0.269 105 S C -1.726 173.026 174.600 0.254 0.000 1.153 105 S CA -1.037 57.318 58.200 0.258 0.000 0.835 105 S CB 2.087 65.436 63.200 0.249 0.000 1.122 105 S HN 0.448 nan 8.310 nan 0.000 0.462 106 D N 0.421 120.963 120.400 0.237 0.000 2.863 106 D HA 0.335 4.975 4.640 0.000 0.000 0.245 106 D C -0.673 175.768 176.300 0.235 0.000 1.211 106 D CA -0.370 53.756 54.000 0.210 0.000 0.888 106 D CB 1.314 42.211 40.800 0.161 0.000 1.483 106 D HN 0.778 nan 8.370 nan 0.000 0.533 107 K N 1.861 122.399 120.400 0.230 0.000 3.020 107 K HA -0.259 4.061 4.320 0.000 0.000 0.266 107 K C 0.440 177.196 176.600 0.259 0.000 1.067 107 K CA 0.682 57.103 56.287 0.223 0.000 0.780 107 K CB -1.197 31.408 32.500 0.176 0.000 1.220 107 K HN 0.385 nan 8.250 nan 0.000 0.483 108 F N 0.299 120.297 119.950 0.081 0.000 2.304 108 F HA 0.255 4.782 4.527 0.000 0.000 0.267 108 F C 0.744 176.522 175.800 -0.036 0.000 1.062 108 F CA 0.001 57.994 58.000 -0.012 0.000 1.112 108 F CB 0.060 38.972 39.000 -0.147 0.000 1.118 108 F HN -0.068 nan 8.300 nan 0.000 0.575 109 F N 2.150 122.033 119.950 -0.112 0.000 2.602 109 F HA 0.147 4.674 4.527 0.000 0.000 0.367 109 F C 0.204 175.882 175.800 -0.204 0.000 1.126 109 F CA 0.155 57.895 58.000 -0.433 0.000 1.321 109 F CB 0.001 38.738 39.000 -0.438 0.000 1.094 109 F HN -0.166 nan 8.300 nan 0.000 0.594 110 I N 2.776 123.150 120.570 -0.328 0.000 2.377 110 I HA 0.113 4.284 4.170 0.000 0.000 0.293 110 I C 0.180 175.965 176.117 -0.552 0.000 0.987 110 I CA -0.688 60.437 61.300 -0.292 0.000 1.185 110 I CB 1.354 39.200 38.000 -0.258 0.000 1.341 110 I HN 0.586 nan 8.210 nan 0.000 0.455 111 N N 4.853 122.946 118.700 -1.012 0.000 2.386 111 N HA 0.001 4.741 4.740 0.000 0.000 0.273 111 N C 0.839 175.978 175.510 -0.618 0.000 1.331 111 N CA 0.604 52.804 53.050 -1.416 0.000 0.891 111 N CB 0.293 37.889 38.487 -1.485 0.000 1.139 111 N HN 1.002 nan 8.380 nan 0.000 0.487 112 G N 2.580 111.111 108.800 -0.448 0.000 2.314 112 G HA2 -0.284 3.676 3.960 0.000 0.000 0.292 112 G HA3 -0.284 3.676 3.960 0.000 0.000 0.292 112 G C 0.734 175.522 174.900 -0.186 0.000 1.059 112 G CA 0.565 45.546 45.100 -0.198 0.000 0.982 112 G HN 0.753 nan 8.290 nan 0.000 0.505 113 S N -0.896 114.616 115.700 -0.313 0.000 2.503 113 S HA 0.135 4.605 4.470 0.000 0.000 0.215 113 S C 1.340 175.846 174.600 -0.157 0.000 1.003 113 S CA 1.064 59.104 58.200 -0.267 0.000 0.910 113 S CB 0.037 62.861 63.200 -0.628 0.000 0.790 113 S HN 1.619 nan 8.310 nan 0.000 0.514 114 N N 0.476 119.040 118.700 -0.228 0.000 2.965 114 N HA -0.114 4.626 4.740 0.000 0.000 0.232 114 N C -0.483 174.808 175.510 -0.365 0.000 0.913 114 N CA 1.482 54.416 53.050 -0.194 0.000 0.981 114 N CB -1.805 36.620 38.487 -0.104 0.000 1.077 114 N HN 0.868 nan 8.380 nan 0.000 0.589 115 W N -0.062 121.045 121.300 -0.321 0.000 2.666 115 W HA 0.710 5.370 4.660 -0.000 0.000 0.334 115 W C -0.193 176.276 176.519 -0.083 0.000 1.051 115 W CA -0.630 56.539 57.345 -0.293 0.000 1.224 115 W CB 0.589 29.931 29.460 -0.196 0.000 1.405 115 W HN -0.042 nan 8.180 nan 0.000 0.513 116 E N 1.890 122.238 120.200 0.247 0.000 2.624 116 E HA 0.395 4.745 4.350 0.000 0.000 0.210 116 E C 0.513 177.387 176.600 0.457 0.000 0.997 116 E CA -0.081 56.446 56.400 0.213 0.000 0.999 116 E CB 1.232 30.951 29.700 0.033 0.000 1.040 116 E HN 0.656 nan 8.360 nan 0.000 0.469 117 G N 0.052 109.194 108.800 0.571 0.000 2.600 117 G HA2 0.626 4.586 3.960 0.000 0.000 0.293 117 G HA3 0.626 4.586 3.960 0.000 0.000 0.293 117 G C -1.778 173.326 174.900 0.340 0.000 1.408 117 G CA -0.707 44.647 45.100 0.423 0.000 0.782 117 G HN 0.086 nan 8.290 nan 0.000 0.482 118 I N -0.486 120.246 120.570 0.270 0.000 2.686 118 I HA 0.655 4.825 4.170 0.000 0.000 0.295 118 I C -1.709 174.553 176.117 0.243 0.000 1.114 118 I CA -1.181 60.220 61.300 0.169 0.000 1.038 118 I CB 2.187 40.349 38.000 0.271 0.000 1.238 118 I HN 0.471 nan 8.210 nan 0.000 0.420 119 L N 7.500 128.764 121.223 0.068 0.000 2.301 119 L HA 0.645 4.985 4.340 0.000 0.000 0.278 119 L C -0.013 176.842 176.870 -0.026 0.000 1.022 119 L CA -0.046 54.776 54.840 -0.030 0.000 0.854 119 L CB 1.046 42.930 42.059 -0.291 0.000 1.226 119 L HN 0.631 nan 8.230 nan 0.000 0.429 120 G N 5.246 114.097 108.800 0.086 0.000 2.365 120 G HA2 0.375 4.335 3.960 0.000 0.000 0.293 120 G HA3 0.375 4.335 3.960 0.000 0.000 0.293 120 G C 0.460 175.362 174.900 0.002 0.000 1.128 120 G CA -0.385 44.761 45.100 0.078 0.000 0.971 120 G HN 0.734 nan 8.290 nan 0.000 0.422 121 L N 1.983 123.161 121.223 -0.075 0.000 2.607 121 L HA 0.251 4.591 4.340 0.000 0.000 0.228 121 L C 1.865 178.693 176.870 -0.070 0.000 1.123 121 L CA -0.147 54.594 54.840 -0.165 0.000 0.890 121 L CB -0.086 41.677 42.059 -0.492 0.000 1.103 121 L HN 0.569 nan 8.230 nan 0.000 0.468 122 A N -0.846 121.923 122.820 -0.084 0.000 2.249 122 A HA 0.407 4.727 4.320 0.000 0.000 0.281 122 A C -0.627 176.727 177.584 -0.384 0.000 1.127 122 A CA -0.246 51.562 52.037 -0.382 0.000 0.833 122 A CB 0.049 18.920 19.000 -0.215 0.000 1.140 122 A HN 0.106 nan 8.150 nan 0.000 0.502 123 Y N -1.094 119.095 120.300 -0.185 0.000 2.314 123 Y HA 0.374 4.924 4.550 0.000 0.000 0.334 123 Y C 1.730 177.616 175.900 -0.023 0.000 1.266 123 Y CA 0.287 58.351 58.100 -0.060 0.000 1.391 123 Y CB 0.498 38.932 38.460 -0.044 0.000 1.306 123 Y HN 0.702 nan 8.280 nan 0.000 0.558 124 A N 0.957 123.892 122.820 0.192 0.000 1.958 124 A HA -0.314 4.006 4.320 0.000 0.000 0.221 124 A C 2.013 179.647 177.584 0.084 0.000 1.178 124 A CA 2.109 54.214 52.037 0.114 0.000 0.642 124 A CB -0.918 18.145 19.000 0.105 0.000 0.816 124 A HN 0.958 nan 8.150 nan 0.000 0.453 125 E N 0.133 120.396 120.200 0.105 0.000 2.233 125 E HA -0.211 4.139 4.350 0.000 0.000 0.199 125 E C 1.448 178.084 176.600 0.059 0.000 1.004 125 E CA 1.757 58.204 56.400 0.078 0.000 0.819 125 E CB -0.345 29.419 29.700 0.107 0.000 0.738 125 E HN 0.844 nan 8.360 nan 0.000 0.478 126 I N -3.359 117.217 120.570 0.011 0.000 4.025 126 I HA 0.463 4.633 4.170 0.000 0.000 0.336 126 I C 0.529 176.604 176.117 -0.071 0.000 1.390 126 I CA -0.540 60.713 61.300 -0.078 0.000 1.099 126 I CB 0.394 38.192 38.000 -0.337 0.000 1.049 126 I HN -0.021 nan 8.210 nan 0.000 0.394 127 A N 1.906 124.715 122.820 -0.018 0.000 2.332 127 A HA 0.662 4.982 4.320 0.000 0.000 0.258 127 A C 0.017 177.589 177.584 -0.020 0.000 1.087 127 A CA -0.305 51.730 52.037 -0.004 0.000 0.802 127 A CB 0.454 19.481 19.000 0.045 0.000 1.042 127 A HN 0.333 nan 8.150 nan 0.000 0.489 128 R N 0.844 121.323 120.500 -0.035 0.000 2.664 128 R HA 0.410 4.750 4.340 0.000 0.000 0.286 128 R C -2.305 174.006 176.300 0.018 0.000 0.967 128 R CA -2.397 53.677 56.100 -0.044 0.000 0.933 128 R CB 0.448 30.662 30.300 -0.143 0.000 1.146 128 R HN 0.383 nan 8.270 nan 0.000 0.468 129 P HA -0.087 nan 4.420 nan 0.000 0.219 129 P C -0.361 176.947 177.300 0.013 0.000 1.150 129 P CA 1.352 64.464 63.100 0.020 0.000 0.814 129 P CB 0.390 32.111 31.700 0.035 0.000 0.787 130 D N -2.713 117.699 120.400 0.020 0.000 2.692 130 D HA 0.014 4.654 4.640 0.000 0.000 0.303 130 D C -0.657 175.659 176.300 0.027 0.000 1.278 130 D CA -0.463 53.548 54.000 0.018 0.000 0.852 130 D CB 0.259 41.069 40.800 0.017 0.000 1.375 130 D HN -0.148 nan 8.370 nan 0.000 0.453 131 D N -0.936 119.479 120.400 0.026 0.000 2.390 131 D HA -0.111 4.529 4.640 0.000 0.000 0.235 131 D C 1.362 177.685 176.300 0.038 0.000 1.040 131 D CA 0.628 54.649 54.000 0.035 0.000 0.923 131 D CB -0.215 40.603 40.800 0.031 0.000 0.886 131 D HN 0.274 nan 8.370 nan 0.000 0.532 132 S N -0.802 114.918 115.700 0.034 0.000 2.524 132 S HA 0.041 4.511 4.470 0.000 0.000 0.216 132 S C 0.777 175.403 174.600 0.043 0.000 0.987 132 S CA -0.665 57.555 58.200 0.034 0.000 0.909 132 S CB -0.339 62.877 63.200 0.026 0.000 0.781 132 S HN 0.220 nan 8.310 nan 0.000 0.521 133 L N 3.536 124.790 121.223 0.053 0.000 2.375 133 L HA 0.389 4.729 4.340 0.000 0.000 0.276 133 L C 0.202 177.120 176.870 0.080 0.000 1.162 133 L CA -0.248 54.633 54.840 0.069 0.000 0.991 133 L CB -0.209 41.898 42.059 0.081 0.000 1.315 133 L HN 0.312 nan 8.230 nan 0.000 0.431 134 E N 5.478 125.719 120.200 0.069 0.000 2.694 134 E HA -0.008 4.342 4.350 0.000 0.000 0.250 134 E C -2.095 174.562 176.600 0.096 0.000 0.963 134 E CA -1.130 55.312 56.400 0.070 0.000 0.949 134 E CB 0.509 30.235 29.700 0.043 0.000 0.911 134 E HN 0.415 nan 8.360 nan 0.000 0.500 135 P HA -0.034 nan 4.420 nan 0.000 0.272 135 P C -0.022 177.362 177.300 0.139 0.000 1.230 135 P CA -0.211 62.976 63.100 0.145 0.000 0.788 135 P CB 0.371 32.143 31.700 0.119 0.000 0.949 136 F N 1.833 121.811 119.950 0.046 0.000 2.063 136 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 136 F C 2.006 177.787 175.800 -0.032 0.000 1.109 136 F CA 1.649 59.630 58.000 -0.033 0.000 1.212 136 F CB -0.785 38.090 39.000 -0.209 0.000 0.973 136 F HN 0.216 nan 8.300 nan 0.000 0.480 137 F N 1.416 121.319 119.950 -0.078 0.000 2.161 137 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 137 F C 2.379 178.078 175.800 -0.169 0.000 1.089 137 F CA 2.134 60.043 58.000 -0.152 0.000 1.282 137 F CB -0.636 38.335 39.000 -0.048 0.000 1.010 137 F HN 0.062 nan 8.300 nan 0.000 0.485 138 D N -0.754 119.660 120.400 0.024 0.000 2.097 138 D HA -0.159 4.481 4.640 0.000 0.000 0.195 138 D C 2.394 178.600 176.300 -0.157 0.000 0.989 138 D CA 1.695 55.690 54.000 -0.008 0.000 0.827 138 D CB -0.322 40.513 40.800 0.059 0.000 0.966 138 D HN 0.258 nan 8.370 nan 0.000 0.456 139 S N 1.026 116.592 115.700 -0.224 0.000 2.356 139 S HA -0.152 4.318 4.470 0.000 0.000 0.223 139 S C 1.964 176.330 174.600 -0.391 0.000 1.032 139 S CA 0.433 58.471 58.200 -0.270 0.000 1.005 139 S CB -0.392 62.642 63.200 -0.277 0.000 0.867 139 S HN 0.147 nan 8.310 nan 0.000 0.449 140 L N 2.129 122.968 121.223 -0.639 0.000 1.997 140 L HA -0.132 4.208 4.340 0.000 0.000 0.216 140 L C 2.222 178.811 176.870 -0.469 0.000 1.074 140 L CA 1.793 56.241 54.840 -0.653 0.000 0.763 140 L CB -0.876 40.647 42.059 -0.894 0.000 0.890 140 L HN 0.158 nan 8.230 nan 0.000 0.434 141 V N -0.348 119.277 119.914 -0.482 0.000 2.261 141 V HA -0.306 3.814 4.120 0.000 0.000 0.246 141 V C 2.606 178.575 176.094 -0.208 0.000 1.047 141 V CA 2.205 64.320 62.300 -0.308 0.000 1.015 141 V CB -0.703 30.997 31.823 -0.204 0.000 0.642 141 V HN 0.462 nan 8.190 nan 0.000 0.446 142 K N -0.361 119.931 120.400 -0.179 0.000 2.097 142 K HA -0.193 4.127 4.320 0.000 0.000 0.206 142 K C 2.114 178.615 176.600 -0.165 0.000 1.049 142 K CA 1.489 57.693 56.287 -0.138 0.000 0.933 142 K CB -0.145 32.295 32.500 -0.100 0.000 0.717 142 K HN 0.543 nan 8.250 nan 0.000 0.442 143 Q N -0.035 119.651 119.800 -0.190 0.000 2.392 143 Q HA -0.008 4.332 4.340 0.000 0.000 0.203 143 Q C 0.596 176.475 176.000 -0.202 0.000 0.917 143 Q CA 0.588 56.285 55.803 -0.176 0.000 0.939 143 Q CB 0.768 29.413 28.738 -0.156 0.000 1.063 143 Q HN 0.331 nan 8.270 nan 0.000 0.516 144 T N -4.377 110.033 114.554 -0.239 0.000 2.693 144 T HA 0.282 4.632 4.350 0.000 0.000 0.278 144 T C -0.071 174.441 174.700 -0.313 0.000 0.994 144 T CA -0.742 61.221 62.100 -0.229 0.000 1.033 144 T CB 0.834 69.621 68.868 -0.135 0.000 1.342 144 T HN 0.032 nan 8.240 nan 0.000 0.538 145 H N -1.114 117.927 119.070 -0.049 0.000 2.549 145 H HA 0.488 5.044 4.556 0.000 0.000 0.279 145 H C 0.163 175.476 175.328 -0.025 0.000 1.018 145 H CA -0.245 55.785 56.048 -0.030 0.000 1.175 145 H CB 0.187 29.940 29.762 -0.015 0.000 1.485 145 H HN 0.268 nan 8.280 nan 0.000 0.543 146 V N 3.497 123.424 119.914 0.022 0.000 2.493 146 V HA -0.002 4.118 4.120 0.000 0.000 0.292 146 V C -1.779 174.328 176.094 0.022 0.000 1.016 146 V CA -1.297 61.009 62.300 0.009 0.000 1.097 146 V CB 0.285 32.067 31.823 -0.070 0.000 0.947 146 V HN 0.205 nan 8.190 nan 0.000 0.479 147 P HA -0.032 nan 4.420 nan 0.000 0.266 147 P C 0.012 177.421 177.300 0.181 0.000 1.186 147 P CA 0.047 63.217 63.100 0.116 0.000 0.767 147 P CB 0.255 32.029 31.700 0.124 0.000 0.820 148 N N 3.261 122.083 118.700 0.204 0.000 3.050 148 N HA 0.238 4.978 4.740 0.000 0.000 0.289 148 N C -0.982 174.769 175.510 0.402 0.000 1.209 148 N CA 0.145 53.411 53.050 0.361 0.000 1.154 148 N CB -1.076 37.570 38.487 0.266 0.000 1.444 148 N HN 0.337 nan 8.380 nan 0.000 0.529 149 L N 1.660 123.180 121.223 0.496 0.000 2.700 149 L HA 0.554 4.894 4.340 0.000 0.000 0.255 149 L C -1.982 175.098 176.870 0.351 0.000 0.933 149 L CA -0.923 54.080 54.840 0.272 0.000 0.920 149 L CB 0.859 43.000 42.059 0.137 0.000 1.472 149 L HN 0.154 nan 8.230 nan 0.000 0.426 150 F N 1.635 121.590 119.950 0.008 0.000 2.601 150 F HA 0.912 5.439 4.527 -0.000 0.000 0.309 150 F C -0.976 174.810 175.800 -0.024 0.000 1.089 150 F CA -0.369 57.629 58.000 -0.004 0.000 0.940 150 F CB 1.687 40.600 39.000 -0.144 0.000 1.273 150 F HN 0.524 nan 8.300 nan 0.000 0.450 151 S N 2.803 118.547 115.700 0.073 0.000 2.566 151 S HA 0.888 5.358 4.470 0.000 0.000 0.298 151 S C -1.418 173.256 174.600 0.124 0.000 1.083 151 S CA -0.858 57.281 58.200 -0.102 0.000 0.978 151 S CB 2.035 65.062 63.200 -0.287 0.000 1.073 151 S HN 0.863 nan 8.310 nan 0.000 0.491 152 L N 1.378 122.631 121.223 0.049 0.000 2.386 152 L HA 0.564 4.905 4.340 0.000 0.000 0.271 152 L C -0.579 176.407 176.870 0.193 0.000 0.993 152 L CA -0.406 54.517 54.840 0.138 0.000 0.819 152 L CB 2.207 44.329 42.059 0.105 0.000 1.294 152 L HN 0.797 nan 8.230 nan 0.000 0.414 153 Q N 4.665 124.568 119.800 0.171 0.000 2.454 153 Q HA 0.472 4.812 4.340 0.000 0.000 0.255 153 Q C -1.761 174.202 176.000 -0.062 0.000 1.034 153 Q CA -0.516 55.362 55.803 0.125 0.000 0.736 153 Q CB 1.237 30.016 28.738 0.069 0.000 1.210 153 Q HN 0.615 nan 8.270 nan 0.000 0.500 154 L N 3.586 124.712 121.223 -0.162 0.000 2.257 154 L HA 0.482 4.822 4.340 0.000 0.000 0.290 154 L C -0.479 176.310 176.870 -0.135 0.000 1.044 154 L CA -0.823 53.760 54.840 -0.428 0.000 0.810 154 L CB 1.125 42.738 42.059 -0.743 0.000 1.193 154 L HN 0.648 nan 8.230 nan 0.000 0.425 155 C N 2.934 122.250 119.300 0.026 0.000 2.330 155 C HA 0.591 5.051 4.460 0.000 0.000 0.344 155 C C 1.315 176.401 174.990 0.160 0.000 1.273 155 C CA -0.681 58.387 59.018 0.084 0.000 1.879 155 C CB 0.582 28.362 27.740 0.067 0.000 2.376 155 C HN 0.971 nan 8.230 nan 0.000 0.534 156 G N 1.587 110.433 108.800 0.077 0.000 2.489 156 G HA2 0.548 4.508 3.960 0.000 0.000 0.271 156 G HA3 0.548 4.508 3.960 0.000 0.000 0.271 156 G C 0.079 175.005 174.900 0.044 0.000 1.427 156 G CA 0.251 45.393 45.100 0.071 0.000 1.057 156 G HN 1.098 nan 8.290 nan 0.000 0.532 169 S N -0.138 115.551 115.700 -0.018 0.000 2.617 169 S HA 0.791 5.261 4.470 0.000 0.000 0.269 169 S C -0.104 174.467 174.600 -0.048 0.000 1.292 169 S CA -0.338 57.842 58.200 -0.033 0.000 1.010 169 S CB 1.271 64.460 63.200 -0.019 0.000 0.944 169 S HN 1.628 nan 8.310 nan 0.000 0.536 170 V N 0.632 120.490 119.914 -0.094 0.000 3.040 170 V HA 0.901 5.021 4.120 0.000 0.000 0.312 170 V C 0.613 176.663 176.094 -0.073 0.000 1.115 170 V CA -0.220 62.029 62.300 -0.085 0.000 0.998 170 V CB 2.109 33.824 31.823 -0.181 0.000 1.042 170 V HN 1.276 nan 8.190 nan 0.000 0.433 171 G N -0.402 108.427 108.800 0.047 0.000 2.766 171 G HA2 0.905 4.866 3.960 0.000 0.000 0.288 171 G HA3 0.905 4.866 3.960 0.000 0.000 0.288 171 G C -0.565 174.429 174.900 0.156 0.000 1.408 171 G CA -0.189 44.946 45.100 0.058 0.000 0.852 171 G HN 1.365 nan 8.290 nan 0.000 0.487 172 G N -1.520 107.325 108.800 0.074 0.000 2.340 172 G HA2 0.569 4.529 3.960 0.000 0.000 0.299 172 G HA3 0.569 4.529 3.960 0.000 0.000 0.299 172 G C -1.381 173.520 174.900 0.001 0.000 1.291 172 G CA -0.045 45.071 45.100 0.027 0.000 0.841 172 G HN 1.145 nan 8.290 nan 0.000 0.500 173 S N -0.363 115.337 115.700 -0.000 0.000 2.526 173 S HA 0.718 5.188 4.470 0.000 0.000 0.293 173 S C -0.505 174.134 174.600 0.065 0.000 1.092 173 S CA -0.510 57.706 58.200 0.027 0.000 0.980 173 S CB 1.702 64.916 63.200 0.024 0.000 1.048 173 S HN 0.773 nan 8.310 nan 0.000 0.483 174 M N 4.330 123.976 119.600 0.077 0.000 2.022 174 M HA 0.451 4.931 4.480 0.000 0.000 0.298 174 M C -1.792 174.594 176.300 0.143 0.000 0.909 174 M CA -0.617 54.748 55.300 0.108 0.000 0.914 174 M CB 0.252 32.881 32.600 0.049 0.000 1.486 174 M HN 0.441 nan 8.290 nan 0.000 0.415 175 I N 6.125 126.813 120.570 0.197 0.000 2.308 175 I HA 0.218 4.388 4.170 0.000 0.000 0.293 175 I C 0.016 176.280 176.117 0.245 0.000 1.078 175 I CA -0.326 61.094 61.300 0.201 0.000 1.292 175 I CB 0.102 38.235 38.000 0.221 0.000 1.423 175 I HN 0.599 nan 8.210 nan 0.000 0.493 176 I N 5.694 126.402 120.570 0.230 0.000 2.337 176 I HA 0.279 4.449 4.170 0.000 0.000 0.291 176 I C 1.282 177.560 176.117 0.268 0.000 1.046 176 I CA 0.243 61.725 61.300 0.303 0.000 1.324 176 I CB 0.410 38.555 38.000 0.242 0.000 1.409 176 I HN 0.887 nan 8.210 nan 0.000 0.494 177 G N 4.381 113.387 108.800 0.342 0.000 2.176 177 G HA2 -0.085 3.875 3.960 0.000 0.000 0.232 177 G HA3 -0.085 3.875 3.960 0.000 0.000 0.232 177 G C 0.342 175.357 174.900 0.192 0.000 0.986 177 G CA -0.136 45.114 45.100 0.250 0.000 0.643 177 G HN 1.164 nan 8.290 nan 0.000 0.522 178 G N -1.186 107.727 108.800 0.188 0.000 2.490 178 G HA2 0.602 4.562 3.960 0.000 0.000 0.308 178 G HA3 0.602 4.562 3.960 0.000 0.000 0.308 178 G C -1.561 173.427 174.900 0.147 0.000 1.286 178 G CA -0.410 44.780 45.100 0.149 0.000 0.825 178 G HN 0.755 nan 8.290 nan 0.000 0.479 179 I N 1.185 121.849 120.570 0.155 0.000 2.436 179 I HA 0.312 4.482 4.170 0.000 0.000 0.289 179 I C -1.264 174.997 176.117 0.241 0.000 1.010 179 I CA -0.648 60.772 61.300 0.199 0.000 1.098 179 I CB 2.115 40.188 38.000 0.121 0.000 1.266 179 I HN 0.330 nan 8.210 nan 0.000 0.434 180 D N 5.573 126.146 120.400 0.288 0.000 2.329 180 D HA 0.157 4.797 4.640 0.000 0.000 0.232 180 D C 1.023 177.371 176.300 0.080 0.000 1.088 180 D CA -0.168 53.929 54.000 0.163 0.000 0.835 180 D CB 0.928 41.781 40.800 0.089 0.000 1.078 180 D HN 0.527 nan 8.370 nan 0.000 0.495 181 H N 1.728 120.816 119.070 0.031 0.000 2.489 181 H HA -0.109 4.447 4.556 -0.000 0.000 0.293 181 H C 1.778 176.901 175.328 -0.341 0.000 1.066 181 H CA 1.351 57.281 56.048 -0.196 0.000 1.305 181 H CB 0.472 30.128 29.762 -0.177 0.000 1.386 181 H HN 0.409 nan 8.280 nan 0.000 0.551 182 S N 0.439 116.075 115.700 -0.106 0.000 2.561 182 S HA 0.012 4.482 4.470 0.000 0.000 0.225 182 S C 1.823 176.304 174.600 -0.199 0.000 0.977 182 S CA 0.149 58.264 58.200 -0.142 0.000 0.926 182 S CB -0.389 62.763 63.200 -0.081 0.000 0.769 182 S HN 0.289 nan 8.310 nan 0.000 0.533 183 L N 0.395 121.443 121.223 -0.291 0.000 2.592 183 L HA 0.349 4.689 4.340 0.000 0.000 0.227 183 L C 0.397 177.069 176.870 -0.330 0.000 1.127 183 L CA -0.242 54.349 54.840 -0.414 0.000 0.884 183 L CB -0.418 41.172 42.059 -0.782 0.000 1.065 183 L HN 0.603 nan 8.230 nan 0.000 0.457 184 Y N -2.233 117.877 120.300 -0.316 0.000 2.670 184 Y HA 0.682 5.232 4.550 0.000 0.000 0.334 184 Y C -0.532 175.322 175.900 -0.077 0.000 1.185 184 Y CA -1.328 56.683 58.100 -0.149 0.000 1.053 184 Y CB 1.123 39.574 38.460 -0.014 0.000 1.298 184 Y HN -0.106 nan 8.280 nan 0.000 0.459 185 T N -0.947 113.689 114.554 0.137 0.000 2.906 185 T HA 0.784 5.134 4.350 0.000 0.000 0.295 185 T C 0.268 175.085 174.700 0.195 0.000 1.075 185 T CA -0.323 61.790 62.100 0.022 0.000 1.005 185 T CB 1.067 69.888 68.868 -0.078 0.000 1.136 185 T HN 2.393 nan 8.240 nan 0.000 0.498 186 G N 1.345 110.219 108.800 0.124 0.000 2.698 186 G HA2 -0.008 3.952 3.960 0.000 0.000 0.233 186 G HA3 -0.008 3.952 3.960 0.000 0.000 0.233 186 G C -0.246 174.799 174.900 0.243 0.000 1.352 186 G CA -0.302 44.895 45.100 0.161 0.000 0.879 186 G HN 1.276 nan 8.290 nan 0.000 0.567 187 S N -0.757 115.049 115.700 0.177 0.000 2.654 187 S HA 0.685 5.155 4.470 0.000 0.000 0.283 187 S C 0.514 175.067 174.600 -0.079 0.000 1.180 187 S CA -0.593 57.636 58.200 0.047 0.000 1.021 187 S CB 1.462 64.591 63.200 -0.117 0.000 1.018 187 S HN 0.643 nan 8.310 nan 0.000 0.532 188 L N 1.428 122.470 121.223 -0.302 0.000 2.350 188 L HA 0.405 4.745 4.340 0.000 0.000 0.275 188 L C -1.174 175.266 176.870 -0.717 0.000 1.099 188 L CA -0.231 54.303 54.840 -0.510 0.000 0.808 188 L CB 0.674 42.356 42.059 -0.628 0.000 1.149 188 L HN 0.653 nan 8.230 nan 0.000 0.442 189 W N 2.110 122.980 121.300 -0.716 0.000 2.683 189 W HA 0.444 5.104 4.660 -0.000 0.000 0.329 189 W C -0.873 175.049 176.519 -0.994 0.000 1.037 189 W CA -0.278 56.506 57.345 -0.936 0.000 1.232 189 W CB 1.152 29.700 29.460 -1.521 0.000 1.390 189 W HN 0.176 nan 8.180 nan 0.000 0.465 190 Y N 1.504 121.626 120.300 -0.295 0.000 2.387 190 Y HA 0.600 5.150 4.550 -0.000 0.000 0.336 190 Y C 0.605 176.660 175.900 0.257 0.000 1.067 190 Y CA -0.763 57.318 58.100 -0.030 0.000 1.114 190 Y CB 2.094 40.516 38.460 -0.063 0.000 1.208 190 Y HN 0.137 nan 8.280 nan 0.000 0.458 191 T N 4.237 119.090 114.554 0.498 0.000 2.863 191 T HA 0.497 4.847 4.350 0.000 0.000 0.285 191 T C -2.895 171.977 174.700 0.287 0.000 1.009 191 T CA -2.587 59.777 62.100 0.440 0.000 0.989 191 T CB 1.102 70.200 68.868 0.382 0.000 1.004 191 T HN 0.239 nan 8.240 nan 0.000 0.455 192 P HA 0.287 nan 4.420 nan 0.000 0.271 192 P C -0.492 176.914 177.300 0.176 0.000 1.216 192 P CA -0.214 62.987 63.100 0.169 0.000 0.771 192 P CB 0.248 32.030 31.700 0.137 0.000 0.864 193 I N 3.892 124.569 120.570 0.178 0.000 2.406 193 I HA 0.112 4.282 4.170 0.000 0.000 0.293 193 I C 2.016 178.238 176.117 0.175 0.000 1.101 193 I CA -0.020 61.411 61.300 0.217 0.000 1.334 193 I CB 0.354 38.512 38.000 0.264 0.000 1.421 193 I HN 0.461 nan 8.210 nan 0.000 0.513 194 R N 6.000 126.616 120.500 0.193 0.000 2.091 194 R HA -0.053 4.287 4.340 0.000 0.000 0.238 194 R C 0.801 177.188 176.300 0.145 0.000 1.136 194 R CA 1.401 57.601 56.100 0.166 0.000 0.959 194 R CB 0.265 30.683 30.300 0.197 0.000 0.856 194 R HN 0.628 nan 8.270 nan 0.000 0.437 195 R N -0.046 120.581 120.500 0.213 0.000 2.594 195 R HA 0.091 4.431 4.340 0.000 0.000 0.265 195 R C -1.660 174.764 176.300 0.206 0.000 1.070 195 R CA -0.481 55.702 56.100 0.138 0.000 0.909 195 R CB 1.495 31.826 30.300 0.051 0.000 1.243 195 R HN 0.048 nan 8.270 nan 0.000 0.455 196 E N 4.735 124.871 120.200 -0.107 0.000 1.856 196 E HA 0.092 4.442 4.350 0.000 0.000 0.263 196 E C -0.201 176.316 176.600 -0.138 0.000 1.137 196 E CA 0.034 56.094 56.400 -0.566 0.000 1.007 196 E CB 0.238 29.278 29.700 -1.101 0.000 1.117 196 E HN 0.506 nan 8.360 nan 0.000 0.438 197 W N 1.587 122.817 121.300 -0.116 0.000 5.120 197 W HA 0.179 4.839 4.660 0.000 0.000 0.169 197 W C -0.413 176.071 176.519 -0.058 0.000 3.038 197 W CA -0.192 57.117 57.345 -0.060 0.000 1.923 197 W CB -0.277 29.118 29.460 -0.108 0.000 1.318 197 W HN 0.048 nan 8.180 nan 0.000 0.926 198 Y N 0.444 120.490 120.300 -0.424 0.000 2.480 198 Y HA 0.432 4.982 4.550 -0.000 0.000 0.323 198 Y C -0.377 175.429 175.900 -0.156 0.000 1.267 198 Y CA -0.962 56.891 58.100 -0.412 0.000 1.336 198 Y CB 0.393 38.421 38.460 -0.720 0.000 1.361 198 Y HN -0.200 nan 8.280 nan 0.000 0.518 199 Y N 1.087 121.564 120.300 0.296 0.000 2.636 199 Y HA 0.140 4.690 4.550 0.000 0.000 0.341 199 Y C 0.272 176.305 175.900 0.222 0.000 1.169 199 Y CA -0.347 57.956 58.100 0.340 0.000 1.498 199 Y CB 0.006 38.708 38.460 0.404 0.000 1.362 199 Y HN 0.405 nan 8.280 nan 0.000 0.494 200 E N 3.329 123.712 120.200 0.305 0.000 2.227 200 E HA 0.504 4.854 4.350 0.000 0.000 0.282 200 E C -0.951 175.797 176.600 0.246 0.000 1.015 200 E CA -0.682 55.864 56.400 0.243 0.000 0.823 200 E CB 0.903 30.808 29.700 0.341 0.000 1.081 200 E HN 0.419 nan 8.360 nan 0.000 0.396 201 V N 1.660 121.686 119.914 0.187 0.000 3.126 201 V HA 0.624 4.745 4.120 0.000 0.000 0.314 201 V C -0.393 175.774 176.094 0.121 0.000 1.138 201 V CA -1.042 61.352 62.300 0.156 0.000 1.034 201 V CB 1.631 33.536 31.823 0.137 0.000 1.075 201 V HN 0.643 nan 8.190 nan 0.000 0.442 202 I N 1.903 122.529 120.570 0.094 0.000 2.389 202 I HA 0.476 4.646 4.170 0.000 0.000 0.288 202 I C -0.584 175.547 176.117 0.024 0.000 0.999 202 I CA -0.413 60.937 61.300 0.082 0.000 1.129 202 I CB 1.691 39.748 38.000 0.095 0.000 1.288 202 I HN 0.502 nan 8.210 nan 0.000 0.444 203 I N 6.636 127.223 120.570 0.028 0.000 2.396 203 I HA 0.114 4.284 4.170 0.000 0.000 0.292 203 I C 1.064 177.208 176.117 0.045 0.000 0.999 203 I CA -0.196 61.082 61.300 -0.037 0.000 1.310 203 I CB 1.643 39.602 38.000 -0.067 0.000 1.404 203 I HN 0.489 nan 8.210 nan 0.000 0.496 204 V N 2.798 122.711 119.914 -0.002 0.000 3.477 204 V HA 0.453 4.573 4.120 0.000 0.000 0.297 204 V C 0.353 176.478 176.094 0.051 0.000 1.433 204 V CA -0.056 62.281 62.300 0.061 0.000 1.052 204 V CB -0.101 31.734 31.823 0.019 0.000 0.895 204 V HN 0.887 nan 8.190 nan 0.000 0.438 205 R N -0.272 120.182 120.500 -0.077 0.000 2.725 205 R HA 0.603 4.943 4.340 0.000 0.000 0.254 205 R C -2.560 173.545 176.300 -0.325 0.000 1.076 205 R CA -0.309 55.684 56.100 -0.179 0.000 0.940 205 R CB 2.358 32.400 30.300 -0.431 0.000 1.260 205 R HN 0.065 nan 8.270 nan 0.000 0.466 206 V N 2.949 122.612 119.914 -0.417 0.000 2.656 206 V HA 0.509 4.629 4.120 0.000 0.000 0.307 206 V C -0.737 175.287 176.094 -0.117 0.000 1.051 206 V CA -0.734 61.364 62.300 -0.337 0.000 0.893 206 V CB 2.009 33.468 31.823 -0.607 0.000 0.999 206 V HN 0.757 nan 8.190 nan 0.000 0.426 207 E N 4.683 124.862 120.200 -0.036 0.000 2.266 207 E HA 0.637 4.987 4.350 0.000 0.000 0.268 207 E C -1.530 175.071 176.600 0.003 0.000 0.879 207 E CA -0.818 55.581 56.400 -0.001 0.000 0.762 207 E CB 2.907 32.637 29.700 0.049 0.000 1.199 207 E HN 0.389 nan 8.360 nan 0.000 0.422 208 I N 2.104 122.681 120.570 0.013 0.000 2.466 208 I HA 0.198 4.368 4.170 0.000 0.000 0.289 208 I C 0.688 176.834 176.117 0.048 0.000 1.026 208 I CA -0.366 60.955 61.300 0.034 0.000 1.078 208 I CB 1.114 39.126 38.000 0.020 0.000 1.249 208 I HN 0.854 nan 8.210 nan 0.000 0.429 209 N N 3.991 122.736 118.700 0.075 0.000 2.753 209 N HA -0.227 4.513 4.740 0.000 0.000 0.251 209 N C 1.028 176.567 175.510 0.049 0.000 1.097 209 N CA 0.751 53.843 53.050 0.071 0.000 0.786 209 N CB -0.205 38.319 38.487 0.063 0.000 1.137 209 N HN 1.200 nan 8.380 nan 0.000 0.566 210 G N -0.046 108.780 108.800 0.043 0.000 2.143 210 G HA2 -0.339 3.621 3.960 0.000 0.000 0.249 210 G HA3 -0.339 3.621 3.960 0.000 0.000 0.249 210 G C -0.352 174.560 174.900 0.019 0.000 0.981 210 G CA 0.639 45.759 45.100 0.034 0.000 0.665 210 G HN 0.629 nan 8.290 nan 0.000 0.528 211 Q N 0.517 120.326 119.800 0.015 0.000 2.333 211 Q HA 0.444 4.784 4.340 0.000 0.000 0.265 211 Q C -0.799 175.197 176.000 -0.007 0.000 0.989 211 Q CA -0.885 54.919 55.803 0.002 0.000 0.842 211 Q CB 0.977 29.718 28.738 0.005 0.000 1.262 211 Q HN 0.166 nan 8.270 nan 0.000 0.451 212 D N 3.485 123.872 120.400 -0.022 0.000 2.450 212 D HA -0.061 4.579 4.640 0.000 0.000 0.247 212 D C 0.762 177.066 176.300 0.007 0.000 1.162 212 D CA 0.105 54.090 54.000 -0.026 0.000 0.879 212 D CB 1.040 41.810 40.800 -0.050 0.000 1.163 212 D HN 0.591 nan 8.370 nan 0.000 0.472 213 L N 3.690 124.938 121.223 0.040 0.000 2.549 213 L HA -0.070 4.270 4.340 0.000 0.000 0.230 213 L C 0.770 177.683 176.870 0.072 0.000 1.162 213 L CA 0.875 55.760 54.840 0.075 0.000 0.834 213 L CB -0.827 41.325 42.059 0.156 0.000 0.947 213 L HN 0.567 nan 8.230 nan 0.000 0.452 214 K N 0.247 120.681 120.400 0.058 0.000 4.814 214 K HA -0.231 4.089 4.320 0.000 0.000 0.295 214 K C -0.271 176.323 176.600 -0.011 0.000 0.828 214 K CA 0.656 56.953 56.287 0.016 0.000 0.895 214 K CB -1.257 31.239 32.500 -0.007 0.000 1.810 214 K HN 0.319 nan 8.250 nan 0.000 0.418 215 M N 0.257 119.829 119.600 -0.046 0.000 2.664 215 M HA 0.191 4.671 4.480 0.000 0.000 0.279 215 M C -0.427 175.710 176.300 -0.271 0.000 1.275 215 M CA -1.063 54.130 55.300 -0.177 0.000 0.829 215 M CB 1.716 34.149 32.600 -0.279 0.000 1.727 215 M HN 0.144 nan 8.290 nan 0.000 0.459 216 D N 1.438 121.681 120.400 -0.262 0.000 2.382 216 D HA 0.050 4.690 4.640 0.000 0.000 0.259 216 D C 1.202 177.271 176.300 -0.384 0.000 1.224 216 D CA -0.112 53.755 54.000 -0.223 0.000 0.894 216 D CB 0.999 41.707 40.800 -0.153 0.000 1.127 216 D HN 0.825 nan 8.370 nan 0.000 0.487 217 C N 3.733 122.862 119.300 -0.286 0.000 2.397 217 C HA -0.114 4.346 4.460 0.000 0.000 0.286 217 C C 2.264 177.172 174.990 -0.137 0.000 1.308 217 C CA 0.187 59.059 59.018 -0.244 0.000 1.805 217 C CB -0.770 27.016 27.740 0.078 0.000 1.952 217 C HN 0.660 nan 8.230 nan 0.000 0.518 218 K N 0.811 121.161 120.400 -0.082 0.000 2.152 218 K HA -0.127 4.193 4.320 0.000 0.000 0.206 218 K C 2.300 178.922 176.600 0.037 0.000 1.048 218 K CA 1.629 57.942 56.287 0.042 0.000 0.933 218 K CB -0.121 32.422 32.500 0.072 0.000 0.721 218 K HN 0.590 nan 8.250 nan 0.000 0.447 219 E N -0.213 119.910 120.200 -0.128 0.000 2.110 219 E HA -0.208 4.142 4.350 0.000 0.000 0.193 219 E C 1.852 178.468 176.600 0.028 0.000 0.988 219 E CA 1.263 57.602 56.400 -0.102 0.000 0.804 219 E CB -0.267 29.295 29.700 -0.230 0.000 0.745 219 E HN 0.554 nan 8.360 nan 0.000 0.458 220 Y N 1.023 121.357 120.300 0.056 0.000 2.315 220 Y HA -0.119 4.431 4.550 0.000 0.000 0.288 220 Y C 1.658 177.587 175.900 0.048 0.000 1.154 220 Y CA 0.539 58.663 58.100 0.040 0.000 1.229 220 Y CB 0.094 38.563 38.460 0.016 0.000 0.980 220 Y HN 0.056 nan 8.280 nan 0.000 0.540 221 N N -1.172 117.660 118.700 0.220 0.000 2.200 221 N HA -0.052 4.688 4.740 0.000 0.000 0.224 221 N C -0.536 175.049 175.510 0.125 0.000 1.179 221 N CA -0.179 52.967 53.050 0.161 0.000 0.877 221 N CB -0.015 38.582 38.487 0.183 0.000 1.072 221 N HN 0.174 nan 8.380 nan 0.000 0.519 222 Y N 3.763 124.027 120.300 -0.060 0.000 2.849 222 Y HA -0.170 4.380 4.550 0.000 0.000 0.362 222 Y C 1.210 176.901 175.900 -0.347 0.000 1.320 222 Y CA 0.568 58.494 58.100 -0.289 0.000 1.678 222 Y CB -0.467 37.850 38.460 -0.238 0.000 1.220 222 Y HN 0.294 nan 8.280 nan 0.000 0.518 223 D N 2.291 122.218 120.400 -0.789 0.000 3.169 223 D HA -0.224 4.416 4.640 0.000 0.000 0.230 223 D C -0.684 175.612 176.300 -0.007 0.000 0.992 223 D CA 1.590 55.280 54.000 -0.517 0.000 2.072 223 D CB -1.058 39.364 40.800 -0.631 0.000 1.268 223 D HN 0.737 nan 8.370 nan 0.000 0.574 224 K N -0.531 119.843 120.400 -0.044 0.000 2.931 224 K HA 0.567 4.888 4.320 0.000 0.000 0.292 224 K C -1.865 174.724 176.600 -0.019 0.000 1.077 224 K CA -0.731 55.589 56.287 0.055 0.000 0.829 224 K CB 1.138 33.673 32.500 0.059 0.000 1.488 224 K HN 0.012 nan 8.250 nan 0.000 0.358 225 S N 1.024 116.734 115.700 0.017 0.000 2.647 225 S HA 0.620 5.090 4.470 0.000 0.000 0.300 225 S C -0.611 173.984 174.600 -0.009 0.000 1.129 225 S CA -0.849 57.350 58.200 -0.001 0.000 1.029 225 S CB 0.468 63.695 63.200 0.044 0.000 1.007 225 S HN 0.546 nan 8.310 nan 0.000 0.484 226 I N -0.190 120.348 120.570 -0.053 0.000 2.892 226 I HA 0.788 4.958 4.170 0.000 0.000 0.306 226 I C -1.102 175.060 176.117 0.076 0.000 1.078 226 I CA -1.217 60.079 61.300 -0.008 0.000 1.032 226 I CB 1.808 39.709 38.000 -0.166 0.000 1.229 226 I HN 0.225 nan 8.210 nan 0.000 0.435 227 V N 3.239 123.264 119.914 0.186 0.000 2.348 227 V HA 0.346 4.466 4.120 0.000 0.000 0.270 227 V C -0.810 175.428 176.094 0.240 0.000 1.037 227 V CA 0.105 62.532 62.300 0.212 0.000 0.872 227 V CB 0.776 32.729 31.823 0.217 0.000 1.002 227 V HN 0.721 nan 8.190 nan 0.000 0.464 228 D N 3.028 123.523 120.400 0.159 0.000 2.473 228 D HA 0.234 4.874 4.640 0.000 0.000 0.253 228 D C 0.970 177.326 176.300 0.093 0.000 1.233 228 D CA -0.188 53.889 54.000 0.129 0.000 0.908 228 D CB 2.041 42.888 40.800 0.078 0.000 1.170 228 D HN 0.476 nan 8.370 nan 0.000 0.558 229 S N 1.363 117.107 115.700 0.073 0.000 2.561 229 S HA 0.071 4.541 4.470 0.000 0.000 0.225 229 S C 1.701 176.315 174.600 0.024 0.000 0.977 229 S CA 0.416 58.638 58.200 0.037 0.000 0.926 229 S CB 0.228 63.418 63.200 -0.017 0.000 0.769 229 S HN 0.384 nan 8.310 nan 0.000 0.533 230 G N 0.391 109.196 108.800 0.010 0.000 2.985 230 G HA2 0.317 4.277 3.960 0.000 0.000 0.209 230 G HA3 0.317 4.277 3.960 0.000 0.000 0.209 230 G C 0.104 174.995 174.900 -0.016 0.000 1.165 230 G CA 0.021 45.100 45.100 -0.035 0.000 0.776 230 G HN 0.485 nan 8.290 nan 0.000 0.541 231 T N -0.697 113.870 114.554 0.022 0.000 2.863 231 T HA 0.412 4.762 4.350 0.000 0.000 0.285 231 T C 0.999 175.727 174.700 0.047 0.000 1.009 231 T CA -0.395 61.720 62.100 0.025 0.000 0.989 231 T CB 2.154 71.034 68.868 0.020 0.000 1.004 231 T HN -0.083 nan 8.240 nan 0.000 0.455 232 T N 2.246 116.827 114.554 0.045 0.000 2.852 232 T HA 0.063 4.413 4.350 0.000 0.000 0.256 232 T C 1.005 175.733 174.700 0.046 0.000 1.038 232 T CA 0.650 62.786 62.100 0.060 0.000 1.141 232 T CB -0.061 68.839 68.868 0.053 0.000 0.869 232 T HN 0.391 nan 8.240 nan 0.000 0.439 233 N N 1.143 119.856 118.700 0.021 0.000 2.408 233 N HA 0.283 5.023 4.740 0.000 0.000 0.260 233 N C -0.745 174.765 175.510 -0.000 0.000 1.242 233 N CA -0.490 52.559 53.050 -0.002 0.000 0.959 233 N CB 0.326 38.796 38.487 -0.028 0.000 1.201 233 N HN 0.148 nan 8.380 nan 0.000 0.511 234 L N 1.562 122.773 121.223 -0.019 0.000 2.259 234 L HA 0.322 4.662 4.340 0.000 0.000 0.288 234 L C -0.415 176.447 176.870 -0.013 0.000 1.051 234 L CA -0.481 54.354 54.840 -0.009 0.000 0.824 234 L CB 0.001 42.048 42.059 -0.019 0.000 1.206 234 L HN 0.325 nan 8.230 nan 0.000 0.429 235 R N 6.166 126.660 120.500 -0.011 0.000 2.346 235 R HA 0.623 4.963 4.340 0.000 0.000 0.311 235 R C -1.080 175.225 176.300 0.007 0.000 0.983 235 R CA -0.741 55.347 56.100 -0.019 0.000 0.880 235 R CB 1.771 32.043 30.300 -0.047 0.000 1.100 235 R HN 0.590 nan 8.270 nan 0.000 0.453 236 L N 3.072 124.324 121.223 0.048 0.000 2.323 236 L HA 0.540 4.880 4.340 0.000 0.000 0.265 236 L C -2.342 174.579 176.870 0.085 0.000 1.012 236 L CA -2.721 52.177 54.840 0.096 0.000 0.820 236 L CB 2.187 44.361 42.059 0.192 0.000 1.334 236 L HN 0.246 nan 8.230 nan 0.000 0.427 237 P HA 0.053 nan 4.420 nan 0.000 0.272 237 P C -0.060 177.329 177.300 0.148 0.000 1.223 237 P CA -0.380 62.785 63.100 0.109 0.000 0.784 237 P CB 0.793 32.590 31.700 0.162 0.000 0.923 238 K N 4.162 124.635 120.400 0.122 0.000 2.044 238 K HA -0.282 4.038 4.320 0.000 0.000 0.224 238 K C 1.418 178.123 176.600 0.174 0.000 1.056 238 K CA 2.311 58.678 56.287 0.133 0.000 0.962 238 K CB -0.801 31.758 32.500 0.099 0.000 0.730 238 K HN 0.263 nan 8.250 nan 0.000 0.453 239 K N -0.295 120.175 120.400 0.116 0.000 2.032 239 K HA -0.119 4.201 4.320 0.000 0.000 0.209 239 K C 2.102 178.764 176.600 0.103 0.000 1.048 239 K CA 1.793 58.127 56.287 0.079 0.000 0.927 239 K CB -0.366 32.143 32.500 0.014 0.000 0.712 239 K HN 0.057 nan 8.250 nan 0.000 0.441 240 V N 1.327 121.323 119.914 0.136 0.000 2.287 240 V HA -0.265 3.855 4.120 0.000 0.000 0.248 240 V C 2.044 178.235 176.094 0.162 0.000 1.053 240 V CA 1.859 64.259 62.300 0.167 0.000 1.027 240 V CB -0.627 31.335 31.823 0.232 0.000 0.646 240 V HN 0.224 nan 8.190 nan 0.000 0.447 241 F N 1.481 121.465 119.950 0.055 0.000 2.091 241 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 241 F C 2.389 178.214 175.800 0.042 0.000 1.103 241 F CA 2.307 60.338 58.000 0.052 0.000 1.228 241 F CB -0.362 38.671 39.000 0.056 0.000 0.984 241 F HN 0.255 nan 8.300 nan 0.000 0.477 242 E N 0.431 120.651 120.200 0.034 0.000 2.038 242 E HA -0.237 4.114 4.350 0.000 0.000 0.195 242 E C 2.432 178.935 176.600 -0.161 0.000 1.000 242 E CA 1.235 57.576 56.400 -0.099 0.000 0.803 242 E CB -0.674 29.044 29.700 0.030 0.000 0.750 242 E HN 0.500 nan 8.360 nan 0.000 0.448 243 A N 1.699 124.477 122.820 -0.070 0.000 1.892 243 A HA -0.224 4.096 4.320 0.000 0.000 0.218 243 A C 2.454 179.976 177.584 -0.104 0.000 1.188 243 A CA 2.132 54.132 52.037 -0.063 0.000 0.631 243 A CB -0.915 18.086 19.000 0.001 0.000 0.822 243 A HN 0.315 nan 8.150 nan 0.000 0.447 244 A N -0.753 122.000 122.820 -0.112 0.000 1.902 244 A HA 0.004 4.324 4.320 0.000 0.000 0.217 244 A C 2.235 179.692 177.584 -0.212 0.000 1.181 244 A CA 1.841 53.801 52.037 -0.128 0.000 0.623 244 A CB -0.938 18.004 19.000 -0.096 0.000 0.818 244 A HN 0.451 nan 8.150 nan 0.000 0.443 245 V N 0.301 119.993 119.914 -0.369 0.000 2.343 245 V HA -0.269 3.851 4.120 0.000 0.000 0.247 245 V C 2.519 178.311 176.094 -0.503 0.000 1.051 245 V CA 2.373 64.371 62.300 -0.502 0.000 1.036 245 V CB -0.700 30.721 31.823 -0.670 0.000 0.654 245 V HN 0.711 nan 8.190 nan 0.000 0.451 246 K N 0.078 120.270 120.400 -0.347 0.000 2.026 246 K HA -0.211 4.109 4.320 0.000 0.000 0.208 246 K C 2.512 178.988 176.600 -0.207 0.000 1.048 246 K CA 1.862 57.988 56.287 -0.269 0.000 0.929 246 K CB -0.375 32.022 32.500 -0.171 0.000 0.713 246 K HN 0.369 nan 8.250 nan 0.000 0.439 247 S N 0.518 116.128 115.700 -0.149 0.000 2.368 247 S HA -0.087 4.383 4.470 0.000 0.000 0.225 247 S C 1.882 176.443 174.600 -0.065 0.000 1.030 247 S CA 1.243 59.393 58.200 -0.084 0.000 0.999 247 S CB -0.266 62.904 63.200 -0.051 0.000 0.844 247 S HN 0.367 nan 8.310 nan 0.000 0.459 248 I N 0.696 121.208 120.570 -0.097 0.000 2.493 248 I HA -0.133 4.037 4.170 0.000 0.000 0.254 248 I C 2.460 178.563 176.117 -0.022 0.000 1.160 248 I CA 1.009 62.315 61.300 0.010 0.000 1.445 248 I CB -0.227 37.811 38.000 0.064 0.000 1.086 248 I HN 0.266 nan 8.210 nan 0.000 0.433 249 K N 1.022 121.255 120.400 -0.278 0.000 2.031 249 K HA -0.048 4.272 4.320 0.000 0.000 0.205 249 K C 2.357 178.937 176.600 -0.033 0.000 1.049 249 K CA 1.271 57.416 56.287 -0.236 0.000 0.939 249 K CB -0.218 32.015 32.500 -0.445 0.000 0.717 249 K HN 0.238 nan 8.250 nan 0.000 0.438 250 A N 1.734 124.518 122.820 -0.060 0.000 1.892 250 A HA -0.229 4.092 4.320 0.000 0.000 0.218 250 A C 2.383 179.975 177.584 0.014 0.000 1.188 250 A CA 2.221 54.246 52.037 -0.020 0.000 0.631 250 A CB -0.883 18.098 19.000 -0.031 0.000 0.822 250 A HN 0.362 nan 8.150 nan 0.000 0.447 251 A N 0.075 122.914 122.820 0.032 0.000 1.858 251 A HA -0.058 4.262 4.320 0.000 0.000 0.216 251 A C 2.275 179.879 177.584 0.033 0.000 1.190 251 A CA 2.187 54.252 52.037 0.047 0.000 0.617 251 A CB -0.977 18.077 19.000 0.090 0.000 0.827 251 A HN 1.147 nan 8.150 nan 0.000 0.443 252 S N 0.540 116.275 115.700 0.058 0.000 2.803 252 S HA 0.052 4.522 4.470 0.000 0.000 0.228 252 S C 1.506 176.178 174.600 0.119 0.000 0.953 252 S CA 0.763 58.956 58.200 -0.012 0.000 0.983 252 S CB -0.698 62.463 63.200 -0.066 0.000 0.784 252 S HN 0.781 nan 8.310 nan 0.000 0.498 253 S N 2.684 118.433 115.700 0.082 0.000 2.374 253 S HA -0.261 4.209 4.470 0.000 0.000 0.227 253 S C 2.161 176.787 174.600 0.043 0.000 1.037 253 S CA 1.843 60.089 58.200 0.076 0.000 1.024 253 S CB -2.149 61.070 63.200 0.032 0.000 0.861 253 S HN 0.855 nan 8.310 nan 0.000 0.456 254 T N -0.271 114.289 114.554 0.010 0.000 2.837 254 T HA -0.175 4.175 4.350 0.000 0.000 0.266 254 T C 0.440 175.123 174.700 -0.029 0.000 1.077 254 T CA 1.572 63.664 62.100 -0.014 0.000 1.133 254 T CB -0.690 68.162 68.868 -0.027 0.000 0.830 254 T HN 0.730 nan 8.240 nan 0.000 0.512 255 E N -0.250 119.933 120.200 -0.029 0.000 2.317 255 E HA 0.542 4.892 4.350 0.000 0.000 0.270 255 E C -0.943 175.448 176.600 -0.348 0.000 0.885 255 E CA -1.178 55.111 56.400 -0.186 0.000 0.760 255 E CB 1.554 31.152 29.700 -0.168 0.000 1.227 255 E HN -0.062 nan 8.360 nan 0.000 0.434 256 K N 1.441 121.526 120.400 -0.525 0.000 2.123 256 K HA 0.590 4.910 4.320 0.000 0.000 0.259 256 K C -1.070 175.042 176.600 -0.814 0.000 0.960 256 K CA -0.463 55.581 56.287 -0.405 0.000 0.872 256 K CB 0.808 33.211 32.500 -0.161 0.000 1.079 256 K HN 0.359 nan 8.250 nan 0.000 0.440 257 F N 1.831 121.862 119.950 0.135 0.000 2.578 257 F HA 0.342 4.869 4.527 0.000 0.000 0.311 257 F C -1.816 174.065 175.800 0.135 0.000 1.094 257 F CA -2.020 55.983 58.000 0.004 0.000 0.923 257 F CB 1.496 40.366 39.000 -0.216 0.000 1.230 257 F HN 0.337 nan 8.300 nan 0.000 0.450 258 P HA 0.058 nan 4.420 nan 0.000 0.269 258 P C 0.034 177.522 177.300 0.313 0.000 1.209 258 P CA -0.018 63.203 63.100 0.203 0.000 0.776 258 P CB 1.171 32.942 31.700 0.118 0.000 0.876 259 D N 2.329 122.908 120.400 0.298 0.000 2.190 259 D HA -0.145 4.495 4.640 0.000 0.000 0.200 259 D C 2.088 178.561 176.300 0.287 0.000 0.992 259 D CA 1.878 56.085 54.000 0.345 0.000 0.854 259 D CB -0.606 40.326 40.800 0.220 0.000 0.936 259 D HN 0.640 nan 8.370 nan 0.000 0.462 260 G N 0.552 109.475 108.800 0.205 0.000 2.450 260 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 260 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 260 G C 1.398 176.392 174.900 0.156 0.000 1.130 260 G CA 0.403 45.600 45.100 0.161 0.000 0.760 260 G HN 0.230 nan 8.290 nan 0.000 0.557 261 F N 0.730 120.660 119.950 -0.032 0.000 2.051 261 F HA -0.032 4.495 4.527 -0.000 0.000 0.296 261 F C 2.281 177.961 175.800 -0.199 0.000 1.122 261 F CA 1.205 59.087 58.000 -0.197 0.000 1.201 261 F CB -0.637 38.093 39.000 -0.451 0.000 0.978 261 F HN 0.239 nan 8.300 nan 0.000 0.472 262 W N 0.599 121.748 121.300 -0.252 0.000 2.538 262 W HA -0.048 4.612 4.660 0.000 0.000 0.254 262 W C 1.610 178.127 176.519 -0.004 0.000 1.249 262 W CA 0.334 57.400 57.345 -0.465 0.000 1.253 262 W CB -0.651 28.621 29.460 -0.313 0.000 1.130 262 W HN 0.037 nan 8.180 nan 0.000 0.618 263 L N 0.482 121.839 121.223 0.223 0.000 2.628 263 L HA 0.317 4.657 4.340 0.000 0.000 0.229 263 L C 1.795 178.763 176.870 0.164 0.000 1.137 263 L CA 0.363 55.351 54.840 0.247 0.000 0.909 263 L CB -0.787 41.385 42.059 0.188 0.000 1.137 263 L HN 0.167 nan 8.230 nan 0.000 0.470 264 G N 0.775 109.639 108.800 0.106 0.000 2.258 264 G HA2 -0.307 3.653 3.960 0.000 0.000 0.274 264 G HA3 -0.307 3.653 3.960 0.000 0.000 0.274 264 G C 0.634 175.574 174.900 0.066 0.000 1.021 264 G CA 0.943 46.084 45.100 0.069 0.000 0.798 264 G HN 0.535 nan 8.290 nan 0.000 0.507 265 E N -0.545 119.699 120.200 0.074 0.000 2.083 265 E HA 0.076 4.426 4.350 0.000 0.000 0.193 265 E C 1.463 178.113 176.600 0.083 0.000 0.950 265 E CA 0.700 57.145 56.400 0.075 0.000 0.849 265 E CB -0.031 29.717 29.700 0.079 0.000 0.827 265 E HN 0.803 nan 8.360 nan 0.000 0.465 266 Q N 1.823 121.687 119.800 0.105 0.000 2.230 266 Q HA 0.411 4.751 4.340 0.000 0.000 0.253 266 Q C -0.737 175.378 176.000 0.192 0.000 0.919 266 Q CA -0.977 54.893 55.803 0.113 0.000 0.908 266 Q CB 1.138 29.931 28.738 0.093 0.000 1.245 266 Q HN -0.004 nan 8.270 nan 0.000 0.437 267 L N 0.667 121.979 121.223 0.148 0.000 2.360 267 L HA 0.651 4.991 4.340 0.000 0.000 0.271 267 L C -0.281 176.610 176.870 0.035 0.000 1.057 267 L CA -1.078 53.878 54.840 0.193 0.000 0.803 267 L CB 0.637 42.770 42.059 0.124 0.000 1.207 267 L HN 0.479 nan 8.230 nan 0.000 0.445 268 V N 0.117 119.983 119.914 -0.080 0.000 2.716 268 V HA 0.647 4.767 4.120 0.000 0.000 0.304 268 V C 0.008 175.885 176.094 -0.363 0.000 1.053 268 V CA -0.216 61.845 62.300 -0.398 0.000 0.984 268 V CB 1.639 32.973 31.823 -0.816 0.000 1.021 268 V HN 1.061 nan 8.190 nan 0.000 0.467 269 C N 1.875 120.856 119.300 -0.530 0.000 2.971 269 C HA 0.741 5.201 4.460 0.000 0.000 0.310 269 C C -1.023 173.663 174.990 -0.508 0.000 1.285 269 C CA -1.031 57.774 59.018 -0.355 0.000 1.593 269 C CB 1.898 29.514 27.740 -0.207 0.000 2.076 269 C HN 0.878 nan 8.230 nan 0.000 0.472 270 W N -0.003 121.285 121.300 -0.021 0.000 3.118 270 W HA 0.358 5.018 4.660 -0.000 0.000 0.328 270 W C -1.102 175.401 176.519 -0.026 0.000 1.239 270 W CA -0.475 56.859 57.345 -0.018 0.000 1.176 270 W CB 1.281 30.735 29.460 -0.009 0.000 1.433 270 W HN 0.602 nan 8.180 nan 0.000 0.562 271 Q N 1.324 121.261 119.800 0.230 0.000 2.247 271 Q HA 0.299 4.639 4.340 0.000 0.000 0.288 271 Q C 0.507 176.575 176.000 0.113 0.000 1.079 271 Q CA 0.304 56.179 55.803 0.119 0.000 0.932 271 Q CB 0.044 28.838 28.738 0.093 0.000 1.133 271 Q HN 0.341 nan 8.270 nan 0.000 0.377 272 A N 2.819 125.685 122.820 0.076 0.000 2.615 272 A HA 0.258 4.578 4.320 0.000 0.000 0.240 272 A C 1.498 179.121 177.584 0.066 0.000 1.003 272 A CA 0.880 52.957 52.037 0.067 0.000 0.778 272 A CB -0.713 18.312 19.000 0.041 0.000 0.907 272 A HN 1.388 nan 8.150 nan 0.000 0.507 273 G N 1.615 110.461 108.800 0.076 0.000 2.175 273 G HA2 -0.277 3.683 3.960 0.000 0.000 0.265 273 G HA3 -0.277 3.683 3.960 0.000 0.000 0.265 273 G C 0.851 175.764 174.900 0.022 0.000 0.979 273 G CA 1.543 46.681 45.100 0.063 0.000 0.663 273 G HN 2.342 nan 8.290 nan 0.000 0.533 274 T N -2.267 112.288 114.554 0.002 0.000 3.092 274 T HA 0.377 4.727 4.350 0.000 0.000 0.258 274 T C 0.950 175.481 174.700 -0.283 0.000 1.031 274 T CA 0.868 62.929 62.100 -0.065 0.000 0.925 274 T CB 0.212 69.086 68.868 0.010 0.000 1.036 274 T HN 0.412 nan 8.240 nan 0.000 0.544 275 T N 5.887 120.199 114.554 -0.403 0.000 2.800 275 T HA 0.108 4.458 4.350 0.000 0.000 0.283 275 T C -1.964 172.118 174.700 -1.030 0.000 0.999 275 T CA -0.434 61.074 62.100 -0.988 0.000 1.176 275 T CB 0.527 68.637 68.868 -1.264 0.000 0.973 275 T HN 0.281 nan 8.240 nan 0.000 0.519 276 P HA 0.101 nan 4.420 nan 0.000 0.220 276 P C 0.427 177.558 177.300 -0.283 0.000 1.778 276 P CA -0.354 62.401 63.100 -0.575 0.000 0.912 276 P CB -0.297 31.085 31.700 -0.530 0.000 1.861 277 W N 2.245 123.471 121.300 -0.124 0.000 2.290 277 W HA -0.333 4.327 4.660 -0.000 0.000 0.328 277 W C 2.011 178.575 176.519 0.076 0.000 1.272 277 W CA 1.626 58.967 57.345 -0.006 0.000 1.262 277 W CB -1.629 27.795 29.460 -0.060 0.000 1.151 277 W HN 0.245 nan 8.180 nan 0.000 0.473 278 N N 1.357 120.219 118.700 0.270 0.000 2.417 278 N HA -0.210 4.530 4.740 0.000 0.000 0.187 278 N C 1.217 176.774 175.510 0.077 0.000 1.027 278 N CA 1.979 55.120 53.050 0.152 0.000 0.891 278 N CB -1.453 37.069 38.487 0.059 0.000 0.956 278 N HN 0.483 nan 8.380 nan 0.000 0.442 279 I N -4.936 115.633 120.570 -0.001 0.000 3.684 279 I HA 0.255 4.425 4.170 0.000 0.000 0.304 279 I C -0.486 175.531 176.117 -0.165 0.000 1.278 279 I CA -0.102 61.123 61.300 -0.124 0.000 1.272 279 I CB -0.231 37.626 38.000 -0.239 0.000 1.029 279 I HN -0.209 nan 8.210 nan 0.000 0.458 280 F N 3.921 123.972 119.950 0.169 0.000 2.420 280 F HA 0.580 5.107 4.527 0.000 0.000 0.342 280 F C -2.047 173.896 175.800 0.238 0.000 1.113 280 F CA -2.880 55.273 58.000 0.255 0.000 1.059 280 F CB 0.897 40.060 39.000 0.272 0.000 1.128 280 F HN -0.150 nan 8.300 nan 0.000 0.475 281 P HA 0.224 nan 4.420 nan 0.000 0.274 281 P C -0.873 176.645 177.300 0.363 0.000 1.246 281 P CA -0.255 63.043 63.100 0.330 0.000 0.795 281 P CB 1.500 33.354 31.700 0.256 0.000 1.006 282 V N -1.212 118.841 119.914 0.232 0.000 2.617 282 V HA 0.553 4.673 4.120 0.000 0.000 0.298 282 V C 0.114 176.316 176.094 0.180 0.000 1.048 282 V CA -0.761 61.659 62.300 0.199 0.000 0.964 282 V CB 0.817 32.708 31.823 0.113 0.000 1.004 282 V HN 0.294 nan 8.190 nan 0.000 0.466 283 I N 2.834 123.510 120.570 0.175 0.000 2.406 283 I HA 0.454 4.624 4.170 0.000 0.000 0.290 283 I C -0.009 176.114 176.117 0.011 0.000 0.999 283 I CA -0.152 61.199 61.300 0.085 0.000 1.124 283 I CB 1.963 40.010 38.000 0.078 0.000 1.289 283 I HN 0.673 nan 8.210 nan 0.000 0.441 284 S N 7.061 122.728 115.700 -0.054 0.000 2.449 284 S HA 0.601 5.071 4.470 0.000 0.000 0.310 284 S C -0.383 174.082 174.600 -0.226 0.000 1.096 284 S CA -0.576 57.518 58.200 -0.176 0.000 1.095 284 S CB 1.119 64.184 63.200 -0.226 0.000 1.007 284 S HN 0.360 nan 8.310 nan 0.000 0.474 285 L N 4.071 125.092 121.223 -0.337 0.000 2.294 285 L HA 0.447 4.787 4.340 0.000 0.000 0.283 285 L C -1.248 175.317 176.870 -0.508 0.000 1.015 285 L CA -0.726 53.906 54.840 -0.347 0.000 0.831 285 L CB 0.553 42.414 42.059 -0.329 0.000 1.217 285 L HN 0.622 nan 8.230 nan 0.000 0.420 286 Y N 4.145 124.169 120.300 -0.459 0.000 2.365 286 Y HA 0.399 4.949 4.550 0.000 0.000 0.340 286 Y C 0.283 175.879 175.900 -0.508 0.000 1.016 286 Y CA -0.167 57.630 58.100 -0.506 0.000 1.196 286 Y CB 0.772 38.989 38.460 -0.405 0.000 1.167 286 Y HN 0.388 nan 8.280 nan 0.000 0.509 287 L N 3.795 124.624 121.223 -0.657 0.000 2.352 287 L HA 0.478 4.818 4.340 0.000 0.000 0.269 287 L C 0.200 176.864 176.870 -0.344 0.000 1.034 287 L CA -1.140 53.360 54.840 -0.567 0.000 0.806 287 L CB 1.350 42.904 42.059 -0.842 0.000 1.244 287 L HN 0.591 nan 8.230 nan 0.000 0.447 288 M N 0.965 120.505 119.600 -0.100 0.000 2.238 288 M HA 0.207 4.687 4.480 0.000 0.000 0.350 288 M C 0.559 176.974 176.300 0.192 0.000 1.321 288 M CA 0.177 55.508 55.300 0.052 0.000 1.097 288 M CB 0.825 33.476 32.600 0.084 0.000 1.713 288 M HN 0.709 nan 8.290 nan 0.000 0.455 289 G N 3.321 112.271 108.800 0.250 0.000 2.516 289 G HA2 0.161 4.121 3.960 0.000 0.000 0.276 289 G HA3 0.161 4.121 3.960 0.000 0.000 0.276 289 G C 0.056 175.120 174.900 0.275 0.000 1.390 289 G CA -0.267 45.058 45.100 0.376 0.000 1.050 289 G HN 0.901 nan 8.290 nan 0.000 0.519 290 E N -2.047 118.299 120.200 0.244 0.000 2.413 290 E HA 0.180 4.530 4.350 0.000 0.000 0.203 290 E C 0.248 176.915 176.600 0.111 0.000 0.957 290 E CA -0.134 56.358 56.400 0.154 0.000 0.950 290 E CB 1.015 30.785 29.700 0.115 0.000 0.957 290 E HN 0.079 nan 8.360 nan 0.000 0.497 291 V N 1.325 121.316 119.914 0.128 0.000 2.850 291 V HA 0.146 4.266 4.120 0.000 0.000 0.315 291 V C 0.282 176.435 176.094 0.099 0.000 1.064 291 V CA -0.640 61.718 62.300 0.097 0.000 0.979 291 V CB 1.962 33.842 31.823 0.095 0.000 1.039 291 V HN 0.052 nan 8.190 nan 0.000 0.452 292 T N 4.078 118.677 114.554 0.074 0.000 2.871 292 T HA 0.020 4.370 4.350 0.000 0.000 0.296 292 T C 0.785 175.530 174.700 0.076 0.000 0.998 292 T CA 0.491 62.631 62.100 0.067 0.000 1.162 292 T CB -0.375 68.523 68.868 0.050 0.000 0.947 292 T HN 0.802 nan 8.240 nan 0.000 0.536 293 N N 0.828 119.573 118.700 0.075 0.000 2.708 293 N HA -0.176 4.564 4.740 0.000 0.000 0.251 293 N C -0.186 175.386 175.510 0.103 0.000 1.123 293 N CA 1.206 54.302 53.050 0.076 0.000 0.739 293 N CB -1.054 37.470 38.487 0.061 0.000 1.113 293 N HN 0.888 nan 8.380 nan 0.000 0.561 294 Q N -0.943 118.936 119.800 0.132 0.000 2.365 294 Q HA 0.798 5.139 4.340 0.000 0.000 0.269 294 Q C -0.179 175.957 176.000 0.227 0.000 1.061 294 Q CA -0.695 55.216 55.803 0.180 0.000 0.816 294 Q CB 2.177 31.032 28.738 0.196 0.000 1.325 294 Q HN 0.168 nan 8.270 nan 0.000 0.446 295 S N 1.149 117.008 115.700 0.264 0.000 2.806 295 S HA 0.934 5.404 4.470 0.000 0.000 0.306 295 S C -0.890 173.926 174.600 0.360 0.000 1.167 295 S CA -0.706 57.652 58.200 0.263 0.000 0.847 295 S CB 0.786 64.077 63.200 0.150 0.000 1.216 295 S HN 0.997 nan 8.310 nan 0.000 0.532 296 F N -1.463 118.514 119.950 0.044 0.000 2.715 296 F HA 0.882 5.409 4.527 0.000 0.000 0.318 296 F C -0.914 174.684 175.800 -0.337 0.000 1.141 296 F CA -1.289 56.602 58.000 -0.180 0.000 0.950 296 F CB 1.268 39.934 39.000 -0.556 0.000 1.374 296 F HN 0.982 nan 8.300 nan 0.000 0.477 297 R N 1.614 121.822 120.500 -0.485 0.000 2.808 297 R HA 0.861 5.201 4.340 0.000 0.000 0.272 297 R C -1.730 174.241 176.300 -0.547 0.000 0.995 297 R CA -1.001 54.572 56.100 -0.878 0.000 0.917 297 R CB 2.637 32.009 30.300 -1.545 0.000 1.217 297 R HN 1.004 nan 8.270 nan 0.000 0.471 298 I N -0.867 119.344 120.570 -0.599 0.000 2.465 298 I HA 0.513 4.683 4.170 0.000 0.000 0.291 298 I C -1.063 174.926 176.117 -0.214 0.000 1.014 298 I CA -0.778 60.236 61.300 -0.477 0.000 1.093 298 I CB 2.575 40.021 38.000 -0.924 0.000 1.267 298 I HN 0.502 nan 8.210 nan 0.000 0.431 299 T N 7.330 121.920 114.554 0.061 0.000 2.797 299 T HA 0.600 4.950 4.350 0.000 0.000 0.279 299 T C -0.081 174.756 174.700 0.229 0.000 0.991 299 T CA -0.442 61.713 62.100 0.091 0.000 0.979 299 T CB 1.466 70.359 68.868 0.042 0.000 0.943 299 T HN 0.652 nan 8.240 nan 0.000 0.444 300 I N 1.485 122.150 120.570 0.159 0.000 2.412 300 I HA 0.637 4.807 4.170 0.000 0.000 0.296 300 I C -0.770 175.385 176.117 0.065 0.000 0.987 300 I CA -1.128 60.246 61.300 0.122 0.000 1.180 300 I CB 0.999 39.100 38.000 0.167 0.000 1.340 300 I HN 0.422 nan 8.210 nan 0.000 0.455 301 L N 6.281 127.464 121.223 -0.067 0.000 2.416 301 L HA 0.464 4.804 4.340 0.000 0.000 0.262 301 L C -1.243 175.387 176.870 -0.399 0.000 1.093 301 L CA -1.763 52.979 54.840 -0.163 0.000 0.801 301 L CB 0.957 42.879 42.059 -0.227 0.000 1.191 301 L HN 0.470 nan 8.230 nan 0.000 0.459 302 P HA -0.199 nan 4.420 nan 0.000 0.218 302 P C 0.892 177.778 177.300 -0.690 0.000 1.148 302 P CA 1.272 63.772 63.100 -1.000 0.000 0.822 302 P CB 0.266 31.770 31.700 -0.326 0.000 0.784 303 Q N -0.283 119.054 119.800 -0.772 0.000 2.368 303 Q HA -0.156 4.184 4.340 0.000 0.000 0.210 303 Q C 2.333 178.080 176.000 -0.422 0.000 0.982 303 Q CA 1.516 56.777 55.803 -0.904 0.000 0.884 303 Q CB -0.612 27.521 28.738 -1.008 0.000 0.933 303 Q HN 0.502 nan 8.270 nan 0.000 0.460 304 Q N -1.520 118.070 119.800 -0.350 0.000 2.287 304 Q HA -0.027 4.313 4.340 0.000 0.000 0.201 304 Q C 1.048 177.014 176.000 -0.056 0.000 0.946 304 Q CA 0.762 56.467 55.803 -0.163 0.000 0.868 304 Q CB 0.139 28.810 28.738 -0.111 0.000 0.967 304 Q HN 0.667 nan 8.270 nan 0.000 0.516 305 Y N -0.973 119.288 120.300 -0.066 0.000 2.471 305 Y HA 0.366 4.917 4.550 0.000 0.000 0.286 305 Y C 0.062 175.906 175.900 -0.094 0.000 1.188 305 Y CA -0.045 57.991 58.100 -0.107 0.000 1.286 305 Y CB -0.122 38.258 38.460 -0.133 0.000 1.072 305 Y HN -0.131 nan 8.280 nan 0.000 0.517 306 L N 2.719 123.956 121.223 0.022 0.000 2.408 306 L HA 0.402 4.742 4.340 0.000 0.000 0.257 306 L C -0.037 176.944 176.870 0.185 0.000 1.053 306 L CA -0.592 54.313 54.840 0.110 0.000 0.922 306 L CB 0.868 42.892 42.059 -0.059 0.000 1.261 306 L HN 0.083 nan 8.230 nan 0.000 0.458 307 R N 3.352 123.980 120.500 0.214 0.000 2.442 307 R HA 0.244 4.584 4.340 0.000 0.000 0.291 307 R C -2.353 174.166 176.300 0.364 0.000 1.069 307 R CA -1.207 55.031 56.100 0.230 0.000 1.022 307 R CB 0.784 31.166 30.300 0.138 0.000 0.976 307 R HN 0.125 nan 8.270 nan 0.000 0.443 308 P HA 0.004 nan 4.420 nan 0.000 0.271 308 P C -1.302 176.041 177.300 0.071 0.000 1.233 308 P CA -0.117 63.126 63.100 0.239 0.000 0.764 308 P CB 0.900 32.734 31.700 0.224 0.000 0.825 309 V N 0.472 120.372 119.914 -0.024 0.000 2.760 309 V HA 0.440 4.560 4.120 0.000 0.000 0.309 309 V C 0.230 176.281 176.094 -0.071 0.000 1.077 309 V CA -1.265 61.023 62.300 -0.020 0.000 0.910 309 V CB 1.442 33.277 31.823 0.019 0.000 1.008 309 V HN 0.414 nan 8.190 nan 0.000 0.424 319 C N 2.281 121.275 119.300 -0.511 0.000 2.563 319 C HA 0.806 5.266 4.460 0.000 0.000 0.314 319 C C -0.774 173.833 174.990 -0.638 0.000 1.199 319 C CA -0.777 57.989 59.018 -0.420 0.000 1.564 319 C CB 0.370 27.992 27.740 -0.197 0.000 2.173 319 C HN 0.500 nan 8.230 nan 0.000 0.485 320 Y N 0.041 120.411 120.300 0.116 0.000 2.581 320 Y HA 0.609 5.159 4.550 -0.000 0.000 0.345 320 Y C -0.085 175.954 175.900 0.232 0.000 1.036 320 Y CA -0.939 57.264 58.100 0.171 0.000 1.042 320 Y CB 1.362 39.951 38.460 0.215 0.000 1.289 320 Y HN 0.529 nan 8.280 nan 0.000 0.471 321 K N 1.717 122.338 120.400 0.368 0.000 2.274 321 K HA 0.385 4.705 4.320 0.000 0.000 0.262 321 K C -1.342 175.390 176.600 0.219 0.000 0.961 321 K CA -0.758 55.690 56.287 0.269 0.000 0.833 321 K CB 0.793 33.384 32.500 0.153 0.000 1.102 321 K HN 0.599 nan 8.250 nan 0.000 0.436 322 F N 3.809 123.638 119.950 -0.202 0.000 2.546 322 F HA 0.099 4.626 4.527 0.000 0.000 0.388 322 F C 0.396 176.150 175.800 -0.076 0.000 1.051 322 F CA -0.053 57.754 58.000 -0.321 0.000 1.130 322 F CB 0.384 38.840 39.000 -0.907 0.000 1.044 322 F HN 0.635 nan 8.300 nan 0.000 0.553 323 A N 8.183 130.850 122.820 -0.255 0.000 2.929 323 A HA 0.404 4.724 4.320 0.000 0.000 0.279 323 A C 0.036 177.428 177.584 -0.321 0.000 1.418 323 A CA -0.216 51.707 52.037 -0.191 0.000 1.035 323 A CB -1.140 17.834 19.000 -0.043 0.000 1.047 323 A HN 0.629 nan 8.150 nan 0.000 0.609 324 I N 1.383 121.585 120.570 -0.613 0.000 2.476 324 I HA 0.243 4.413 4.170 0.000 0.000 0.281 324 I C -0.155 175.983 176.117 0.035 0.000 1.040 324 I CA -0.257 60.801 61.300 -0.403 0.000 1.094 324 I CB 1.987 39.567 38.000 -0.701 0.000 1.219 324 I HN 0.314 nan 8.210 nan 0.000 0.450 325 S N 4.574 120.302 115.700 0.046 0.000 2.689 325 S HA 0.662 5.132 4.470 0.000 0.000 0.306 325 S C -0.651 173.713 174.600 -0.394 0.000 1.104 325 S CA -0.923 57.220 58.200 -0.094 0.000 0.973 325 S CB 1.885 65.022 63.200 -0.104 0.000 1.121 325 S HN 0.617 nan 8.310 nan 0.000 0.523 326 Q N 0.121 119.374 119.800 -0.911 0.000 2.221 326 Q HA 0.727 5.067 4.340 0.000 0.000 0.242 326 Q C -0.504 175.318 176.000 -0.296 0.000 0.940 326 Q CA -0.733 54.649 55.803 -0.701 0.000 0.896 326 Q CB 1.261 29.434 28.738 -0.941 0.000 1.226 326 Q HN 0.623 nan 8.270 nan 0.000 0.463 327 S N -0.063 115.537 115.700 -0.166 0.000 2.569 327 S HA 0.413 4.883 4.470 0.000 0.000 0.280 327 S C -0.299 174.250 174.600 -0.084 0.000 1.111 327 S CA -0.201 57.932 58.200 -0.110 0.000 0.887 327 S CB 1.755 64.899 63.200 -0.093 0.000 1.095 327 S HN 0.764 nan 8.310 nan 0.000 0.476 328 S N 0.691 116.340 115.700 -0.085 0.000 2.578 328 S HA 0.162 4.632 4.470 0.000 0.000 0.231 328 S C 0.653 175.165 174.600 -0.147 0.000 0.994 328 S CA 0.377 58.528 58.200 -0.082 0.000 0.956 328 S CB -0.160 63.012 63.200 -0.047 0.000 0.870 328 S HN 0.942 nan 8.310 nan 0.000 0.494 329 T N -1.605 112.855 114.554 -0.157 0.000 3.380 329 T HA 0.631 4.981 4.350 0.000 0.000 0.289 329 T C 0.814 175.376 174.700 -0.230 0.000 1.012 329 T CA 0.020 62.005 62.100 -0.191 0.000 0.944 329 T CB -0.002 68.782 68.868 -0.139 0.000 1.172 329 T HN 1.254 nan 8.240 nan 0.000 0.502 330 G N 1.157 109.816 108.800 -0.235 0.000 2.710 330 G HA2 -0.048 3.913 3.960 0.000 0.000 0.668 330 G HA3 -0.048 3.913 3.960 0.000 0.000 0.668 330 G C -0.420 174.411 174.900 -0.114 0.000 1.320 330 G CA -0.662 44.325 45.100 -0.189 0.000 0.860 330 G HN 0.517 nan 8.290 nan 0.000 0.538 331 T N -0.152 114.363 114.554 -0.066 0.000 2.919 331 T HA 0.487 4.837 4.350 0.000 0.000 0.302 331 T C 0.342 175.003 174.700 -0.065 0.000 1.031 331 T CA 0.262 62.340 62.100 -0.036 0.000 1.127 331 T CB 1.375 70.246 68.868 0.004 0.000 0.952 331 T HN 1.219 nan 8.240 nan 0.000 0.540 332 V N 4.572 124.459 119.914 -0.044 0.000 2.419 332 V HA 0.281 4.401 4.120 0.000 0.000 0.287 332 V C -0.085 176.011 176.094 0.003 0.000 1.017 332 V CA -0.632 61.645 62.300 -0.038 0.000 0.844 332 V CB 1.267 33.062 31.823 -0.047 0.000 1.011 332 V HN 0.900 nan 8.190 nan 0.000 0.429 333 M N 4.447 124.065 119.600 0.029 0.000 2.725 333 M HA 0.351 4.831 4.480 0.000 0.000 0.322 333 M C 1.081 177.431 176.300 0.083 0.000 1.393 333 M CA 0.179 55.516 55.300 0.061 0.000 1.452 333 M CB 0.384 33.037 32.600 0.088 0.000 1.242 333 M HN 0.781 nan 8.290 nan 0.000 0.487 334 G N 0.905 109.744 108.800 0.065 0.000 2.494 334 G HA2 0.437 4.398 3.960 0.000 0.000 0.270 334 G HA3 0.437 4.398 3.960 0.000 0.000 0.270 334 G C 0.935 175.889 174.900 0.091 0.000 1.423 334 G CA 0.067 45.209 45.100 0.070 0.000 1.055 334 G HN 0.693 nan 8.290 nan 0.000 0.536 335 A N -1.098 121.778 122.820 0.094 0.000 1.917 335 A HA -0.081 4.239 4.320 0.000 0.000 0.219 335 A C 2.616 180.264 177.584 0.107 0.000 1.182 335 A CA 3.238 55.344 52.037 0.115 0.000 0.633 335 A CB -1.098 18.018 19.000 0.193 0.000 0.819 335 A HN 1.327 nan 8.150 nan 0.000 0.448 336 V N -2.171 117.798 119.914 0.091 0.000 2.594 336 V HA -0.196 3.924 4.120 0.000 0.000 0.253 336 V C 2.085 178.231 176.094 0.088 0.000 1.069 336 V CA 1.748 64.093 62.300 0.075 0.000 1.082 336 V CB -0.877 30.981 31.823 0.058 0.000 0.680 336 V HN 0.435 nan 8.190 nan 0.000 0.469 337 I N -0.293 120.351 120.570 0.122 0.000 2.339 337 I HA -0.045 4.125 4.170 0.000 0.000 0.245 337 I C 2.665 178.962 176.117 0.301 0.000 1.096 337 I CA 1.746 63.166 61.300 0.199 0.000 1.408 337 I CB -0.794 37.309 38.000 0.172 0.000 1.092 337 I HN 0.320 nan 8.210 nan 0.000 0.423 338 M N 0.291 120.029 119.600 0.229 0.000 2.117 338 M HA -0.218 4.262 4.480 0.000 0.000 0.262 338 M C 2.055 178.437 176.300 0.136 0.000 1.065 338 M CA 1.685 57.122 55.300 0.227 0.000 1.114 338 M CB -0.595 32.070 32.600 0.108 0.000 1.361 338 M HN 0.176 nan 8.290 nan 0.000 0.408 339 E N 0.224 120.450 120.200 0.044 0.000 2.169 339 E HA -0.207 4.143 4.350 0.000 0.000 0.202 339 E C 1.981 178.513 176.600 -0.114 0.000 1.016 339 E CA 1.232 57.620 56.400 -0.020 0.000 0.817 339 E CB -0.410 29.299 29.700 0.014 0.000 0.736 339 E HN 0.669 nan 8.360 nan 0.000 0.462 340 G N -0.583 108.055 108.800 -0.271 0.000 2.598 340 G HA2 -0.023 3.937 3.960 0.000 0.000 0.215 340 G HA3 -0.023 3.937 3.960 0.000 0.000 0.215 340 G C 0.223 174.550 174.900 -0.955 0.000 1.131 340 G CA 0.289 44.967 45.100 -0.704 0.000 0.785 340 G HN 0.029 nan 8.290 nan 0.000 0.539 341 F N -2.933 117.077 119.950 0.100 0.000 2.675 341 F HA 0.542 5.069 4.527 0.000 0.000 0.324 341 F C -0.927 174.938 175.800 0.108 0.000 1.106 341 F CA -1.893 56.179 58.000 0.120 0.000 0.970 341 F CB 1.141 40.251 39.000 0.184 0.000 1.385 341 F HN -0.142 nan 8.300 nan 0.000 0.489 342 Y N 1.749 122.130 120.300 0.135 0.000 2.335 342 Y HA 0.683 5.233 4.550 0.000 0.000 0.339 342 Y C -1.115 174.656 175.900 -0.215 0.000 0.987 342 Y CA -1.780 56.295 58.100 -0.043 0.000 1.140 342 Y CB 0.900 39.331 38.460 -0.048 0.000 1.173 342 Y HN 0.298 nan 8.280 nan 0.000 0.486 343 V N 7.345 126.976 119.914 -0.472 0.000 2.384 343 V HA 0.390 4.510 4.120 0.000 0.000 0.287 343 V C -0.590 174.944 176.094 -0.933 0.000 1.020 343 V CA -0.999 60.803 62.300 -0.830 0.000 0.850 343 V CB 1.259 32.658 31.823 -0.707 0.000 0.987 343 V HN 0.560 nan 8.190 nan 0.000 0.436 344 V N 5.528 124.821 119.914 -1.036 0.000 2.350 344 V HA 0.413 4.533 4.120 0.000 0.000 0.276 344 V C -0.400 175.200 176.094 -0.823 0.000 1.028 344 V CA -0.308 61.511 62.300 -0.801 0.000 0.860 344 V CB 1.037 32.498 31.823 -0.602 0.000 0.990 344 V HN 0.712 nan 8.190 nan 0.000 0.453 345 F N 2.909 122.357 119.950 -0.837 0.000 2.451 345 F HA 0.276 4.803 4.527 -0.000 0.000 0.356 345 F C 0.831 176.314 175.800 -0.527 0.000 1.178 345 F CA -0.394 57.081 58.000 -0.876 0.000 1.210 345 F CB 0.464 38.431 39.000 -1.722 0.000 1.504 345 F HN 0.437 nan 8.300 nan 0.000 0.598 346 D N 3.041 123.352 120.400 -0.150 0.000 2.558 346 D HA 0.100 4.740 4.640 0.000 0.000 0.221 346 D C 1.441 177.789 176.300 0.080 0.000 1.143 346 D CA 0.088 54.072 54.000 -0.026 0.000 1.010 346 D CB 0.222 41.008 40.800 -0.023 0.000 1.068 346 D HN 0.433 nan 8.370 nan 0.000 0.511 347 R N 1.477 122.069 120.500 0.154 0.000 2.105 347 R HA -0.135 4.205 4.340 0.000 0.000 0.239 347 R C 2.119 178.549 176.300 0.217 0.000 1.135 347 R CA 1.531 57.807 56.100 0.293 0.000 0.967 347 R CB -0.072 30.449 30.300 0.368 0.000 0.861 347 R HN 0.361 nan 8.270 nan 0.000 0.442 348 A N 1.117 124.033 122.820 0.160 0.000 1.940 348 A HA -0.155 4.165 4.320 0.000 0.000 0.219 348 A C 1.755 179.378 177.584 0.065 0.000 1.176 348 A CA 1.320 53.424 52.037 0.112 0.000 0.631 348 A CB -0.218 18.836 19.000 0.090 0.000 0.814 348 A HN 0.223 nan 8.150 nan 0.000 0.446 349 R N -1.420 119.100 120.500 0.033 0.000 2.466 349 R HA 0.185 4.525 4.340 0.000 0.000 0.279 349 R C -0.089 176.222 176.300 0.018 0.000 0.976 349 R CA 0.158 56.252 56.100 -0.010 0.000 1.081 349 R CB 0.026 30.267 30.300 -0.097 0.000 1.215 349 R HN 0.495 nan 8.270 nan 0.000 0.546 350 K N 2.045 122.492 120.400 0.079 0.000 3.451 350 K HA -0.241 4.079 4.320 0.000 0.000 0.273 350 K C -1.062 175.605 176.600 0.111 0.000 0.944 350 K CA 0.847 57.202 56.287 0.114 0.000 0.734 350 K CB -0.638 31.905 32.500 0.072 0.000 1.437 350 K HN 0.452 nan 8.250 nan 0.000 0.454 351 R N -0.197 120.371 120.500 0.112 0.000 2.734 351 R HA 0.661 5.001 4.340 0.000 0.000 0.271 351 R C -0.926 175.439 176.300 0.107 0.000 1.021 351 R CA -1.191 54.984 56.100 0.126 0.000 0.893 351 R CB 1.121 31.469 30.300 0.079 0.000 1.244 351 R HN 0.072 nan 8.270 nan 0.000 0.464 352 I N 0.719 121.358 120.570 0.115 0.000 2.498 352 I HA 0.498 4.668 4.170 0.000 0.000 0.290 352 I C -0.189 175.838 176.117 -0.150 0.000 1.032 352 I CA -0.885 60.315 61.300 -0.167 0.000 1.073 352 I CB 2.457 40.282 38.000 -0.293 0.000 1.251 352 I HN 0.881 nan 8.210 nan 0.000 0.426 353 G N 5.049 113.510 108.800 -0.564 0.000 2.400 353 G HA2 0.746 4.706 3.960 0.000 0.000 0.333 353 G HA3 0.746 4.706 3.960 0.000 0.000 0.333 353 G C -1.412 172.952 174.900 -0.893 0.000 1.143 353 G CA -0.254 44.269 45.100 -0.962 0.000 0.914 353 G HN 0.307 nan 8.290 nan 0.000 0.480 354 F N 0.415 120.007 119.950 -0.597 0.000 2.540 354 F HA 0.755 5.282 4.527 0.000 0.000 0.317 354 F C 0.412 176.025 175.800 -0.312 0.000 1.104 354 F CA -0.570 57.192 58.000 -0.396 0.000 0.913 354 F CB 2.776 41.592 39.000 -0.306 0.000 1.170 354 F HN 0.714 nan 8.300 nan 0.000 0.450 355 A N 1.500 124.326 122.820 0.010 0.000 2.572 355 A HA 0.721 5.041 4.320 0.000 0.000 0.295 355 A C -1.479 176.309 177.584 0.341 0.000 1.072 355 A CA -0.826 51.259 52.037 0.080 0.000 0.691 355 A CB 1.139 19.997 19.000 -0.236 0.000 1.291 355 A HN 0.458 nan 8.150 nan 0.000 0.404 356 V N 1.906 122.026 119.914 0.343 0.000 2.540 356 V HA 0.199 4.319 4.120 0.000 0.000 0.297 356 V C 1.286 177.505 176.094 0.209 0.000 1.024 356 V CA 0.479 62.964 62.300 0.308 0.000 1.105 356 V CB 0.988 32.903 31.823 0.153 0.000 0.938 356 V HN 0.957 nan 8.190 nan 0.000 0.482 357 S N 4.273 120.066 115.700 0.155 0.000 2.568 357 S HA 0.287 4.757 4.470 0.000 0.000 0.282 357 S C 1.436 176.067 174.600 0.053 0.000 1.338 357 S CA -0.034 58.233 58.200 0.111 0.000 1.045 357 S CB 1.155 64.393 63.200 0.062 0.000 0.873 357 S HN 0.993 nan 8.310 nan 0.000 0.516 358 A N 2.904 125.728 122.820 0.006 0.000 2.019 358 A HA -0.047 4.273 4.320 0.000 0.000 0.219 358 A C 1.553 179.173 177.584 0.060 0.000 1.164 358 A CA 1.315 53.338 52.037 -0.023 0.000 0.644 358 A CB -1.032 17.921 19.000 -0.078 0.000 0.805 358 A HN 1.253 nan 8.150 nan 0.000 0.449 359 C N 0.392 119.733 119.300 0.068 0.000 2.683 359 C HA 0.595 5.055 4.460 0.000 0.000 0.371 359 C C 0.399 175.437 174.990 0.080 0.000 1.330 359 C CA -1.081 57.984 59.018 0.079 0.000 1.664 359 C CB -1.963 25.791 27.740 0.023 0.000 2.051 359 C HN 0.580 nan 8.230 nan 0.000 0.544 360 H N -0.429 118.606 119.070 -0.059 0.000 2.603 360 H HA 0.572 5.128 4.556 -0.000 0.000 0.370 360 H C -0.556 174.777 175.328 0.009 0.000 1.225 360 H CA -0.579 55.419 56.048 -0.082 0.000 1.410 360 H CB 0.601 30.295 29.762 -0.115 0.000 1.495 360 H HN 0.296 nan 8.280 nan 0.000 0.602 361 V N 4.011 123.825 119.914 -0.167 0.000 2.546 361 V HA 0.235 4.355 4.120 0.000 0.000 0.284 361 V C 0.193 176.196 176.094 -0.152 0.000 1.050 361 V CA -0.132 62.030 62.300 -0.229 0.000 0.981 361 V CB 0.369 32.037 31.823 -0.259 0.000 0.990 361 V HN 1.095 nan 8.190 nan 0.000 0.474 362 H N 2.169 120.988 119.070 -0.420 0.000 3.159 362 H HA 0.323 4.879 4.556 -0.000 0.000 0.313 362 H C -1.380 173.767 175.328 -0.302 0.000 1.071 362 H CA -1.171 54.693 56.048 -0.307 0.000 1.451 362 H CB 0.942 30.559 29.762 -0.242 0.000 2.075 362 H HN 0.714 nan 8.280 nan 0.000 0.443 363 D N 1.945 122.142 120.400 -0.338 0.000 2.511 363 D HA 0.143 4.783 4.640 0.000 0.000 0.276 363 D C 0.562 176.689 176.300 -0.288 0.000 1.220 363 D CA -0.648 53.138 54.000 -0.357 0.000 1.077 363 D CB 0.939 41.590 40.800 -0.249 0.000 1.126 363 D HN 0.403 nan 8.370 nan 0.000 0.583 364 E N -1.601 118.324 120.200 -0.458 0.000 2.512 364 E HA 0.146 4.496 4.350 0.000 0.000 0.195 364 E C -0.027 176.083 176.600 -0.818 0.000 1.083 364 E CA 0.390 56.398 56.400 -0.654 0.000 0.873 364 E CB -0.409 28.781 29.700 -0.851 0.000 0.897 364 E HN 0.487 nan 8.360 nan 0.000 0.514 365 F N -1.302 118.656 119.950 0.014 0.000 2.815 365 F HA 0.336 4.863 4.527 0.000 0.000 0.328 365 F C 0.838 176.654 175.800 0.027 0.000 0.982 365 F CA -0.450 57.564 58.000 0.024 0.000 1.154 365 F CB 0.722 39.736 39.000 0.025 0.000 0.980 365 F HN -0.266 nan 8.300 nan 0.000 0.603 366 R N -0.308 120.285 120.500 0.156 0.000 2.837 366 R HA 0.686 5.026 4.340 0.000 0.000 0.271 366 R C -1.000 175.338 176.300 0.063 0.000 0.993 366 R CA -0.632 55.529 56.100 0.102 0.000 0.931 366 R CB 2.265 32.620 30.300 0.091 0.000 1.206 366 R HN -0.167 nan 8.270 nan 0.000 0.474 367 T N -0.146 114.451 114.554 0.072 0.000 2.923 367 T HA 0.577 4.927 4.350 0.000 0.000 0.311 367 T C -0.989 173.754 174.700 0.071 0.000 1.183 367 T CA -0.436 61.720 62.100 0.093 0.000 1.020 367 T CB 1.505 70.454 68.868 0.136 0.000 1.165 367 T HN 0.689 nan 8.240 nan 0.000 0.482 368 A N 2.150 124.999 122.820 0.048 0.000 2.448 368 A HA 0.756 5.076 4.320 0.000 0.000 0.239 368 A C 0.502 178.168 177.584 0.136 0.000 1.080 368 A CA 0.310 52.362 52.037 0.025 0.000 0.779 368 A CB -0.352 18.528 19.000 -0.200 0.000 1.026 368 A HN 1.604 nan 8.150 nan 0.000 0.499 369 A N 0.089 123.073 122.820 0.274 0.000 2.610 369 A HA 0.635 4.955 4.320 0.000 0.000 0.291 369 A C -1.346 176.398 177.584 0.265 0.000 1.086 369 A CA -0.354 51.836 52.037 0.255 0.000 0.677 369 A CB 1.188 20.262 19.000 0.123 0.000 1.278 369 A HN 1.499 nan 8.150 nan 0.000 0.414 370 V N 1.921 121.924 119.914 0.147 0.000 2.398 370 V HA 0.423 4.543 4.120 0.000 0.000 0.282 370 V C -0.672 175.349 176.094 -0.120 0.000 1.014 370 V CA -0.340 61.955 62.300 -0.010 0.000 0.838 370 V CB 0.970 32.842 31.823 0.081 0.000 1.018 370 V HN 0.889 nan 8.190 nan 0.000 0.432 371 E N 2.808 122.872 120.200 -0.226 0.000 2.227 371 E HA 0.882 5.232 4.350 0.000 0.000 0.268 371 E C 0.063 176.323 176.600 -0.568 0.000 0.907 371 E CA -0.846 55.400 56.400 -0.257 0.000 0.786 371 E CB 3.029 32.731 29.700 0.004 0.000 1.191 371 E HN 0.755 nan 8.360 nan 0.000 0.411 372 G N 1.618 109.926 108.800 -0.820 0.000 2.559 372 G HA2 0.477 4.437 3.960 0.000 0.000 0.291 372 G HA3 0.477 4.437 3.960 0.000 0.000 0.291 372 G C -2.932 171.719 174.900 -0.415 0.000 1.424 372 G CA -0.854 43.600 45.100 -1.076 0.000 0.786 372 G HN 0.406 nan 8.290 nan 0.000 0.485 373 P HA 0.756 nan 4.420 nan 0.000 0.283 373 P C -1.550 175.508 177.300 -0.405 0.000 1.271 373 P CA -0.535 62.481 63.100 -0.140 0.000 0.841 373 P CB 1.712 33.524 31.700 0.187 0.000 1.122 374 F N -0.995 118.987 119.950 0.052 0.000 2.577 374 F HA 0.361 4.888 4.527 -0.000 0.000 0.318 374 F C 0.048 175.891 175.800 0.071 0.000 1.065 374 F CA -1.015 57.026 58.000 0.068 0.000 0.929 374 F CB 2.207 41.282 39.000 0.125 0.000 1.237 374 F HN -0.067 nan 8.300 nan 0.000 0.468 375 V N 1.610 121.667 119.914 0.238 0.000 2.439 375 V HA 0.582 4.702 4.120 0.000 0.000 0.282 375 V C -0.513 175.643 176.094 0.102 0.000 1.039 375 V CA -0.158 62.225 62.300 0.140 0.000 0.913 375 V CB 1.616 33.494 31.823 0.093 0.000 0.983 375 V HN 0.814 nan 8.190 nan 0.000 0.460 376 T N 6.075 120.675 114.554 0.077 0.000 3.071 376 T HA 0.516 4.866 4.350 0.000 0.000 0.311 376 T C -0.610 174.112 174.700 0.036 0.000 1.042 376 T CA -0.468 61.652 62.100 0.034 0.000 1.028 376 T CB 1.127 70.006 68.868 0.019 0.000 1.068 376 T HN 0.319 nan 8.240 nan 0.000 0.451 377 L N 2.311 123.546 121.223 0.021 0.000 2.379 377 L HA 0.436 4.776 4.340 0.000 0.000 0.269 377 L C 0.154 177.036 176.870 0.021 0.000 1.084 377 L CA -0.694 54.160 54.840 0.023 0.000 0.802 377 L CB 0.394 42.462 42.059 0.015 0.000 1.175 377 L HN 0.690 nan 8.230 nan 0.000 0.448 378 D N 1.234 121.648 120.400 0.024 0.000 2.751 378 D HA -0.236 4.404 4.640 0.000 0.000 0.233 378 D C 1.126 177.444 176.300 0.030 0.000 1.149 378 D CA 0.818 54.832 54.000 0.023 0.000 0.682 378 D CB -0.741 40.068 40.800 0.014 0.000 1.068 378 D HN 0.592 nan 8.370 nan 0.000 0.429 379 M N -0.474 119.149 119.600 0.039 0.000 2.149 379 M HA -0.185 4.295 4.480 0.000 0.000 0.261 379 M C 2.028 178.360 176.300 0.053 0.000 1.064 379 M CA 1.377 56.706 55.300 0.048 0.000 1.102 379 M CB -0.090 32.545 32.600 0.057 0.000 1.369 379 M HN -0.016 nan 8.290 nan 0.000 0.408 380 E N 0.727 120.956 120.200 0.048 0.000 2.118 380 E HA -0.191 4.159 4.350 0.000 0.000 0.195 380 E C 1.458 178.084 176.600 0.045 0.000 0.992 380 E CA 1.210 57.639 56.400 0.048 0.000 0.804 380 E CB -0.524 29.198 29.700 0.036 0.000 0.741 380 E HN 0.546 nan 8.360 nan 0.000 0.458 381 D N -0.053 120.368 120.400 0.035 0.000 2.310 381 D HA -0.099 4.541 4.640 0.000 0.000 0.212 381 D C 1.741 178.069 176.300 0.047 0.000 0.965 381 D CA 0.414 54.433 54.000 0.030 0.000 0.879 381 D CB -0.324 40.486 40.800 0.017 0.000 0.921 381 D HN 0.201 nan 8.370 nan 0.000 0.510 382 C N 1.006 120.344 119.300 0.062 0.000 2.432 382 C HA 0.105 4.565 4.460 0.000 0.000 0.282 382 C C 1.717 176.781 174.990 0.122 0.000 1.388 382 C CA -0.124 58.946 59.018 0.086 0.000 1.777 382 C CB -1.132 26.667 27.740 0.098 0.000 1.882 382 C HN 0.236 nan 8.230 nan 0.000 0.520 383 G N -0.853 108.014 108.800 0.112 0.000 2.398 383 G HA2 0.322 4.282 3.960 0.000 0.000 0.246 383 G HA3 0.322 4.282 3.960 0.000 0.000 0.246 383 G C -0.691 174.311 174.900 0.169 0.000 1.289 383 G CA 0.024 45.210 45.100 0.144 0.000 0.869 383 G HN 0.428 nan 8.290 nan 0.000 0.543 384 Y N 2.263 122.627 120.300 0.108 0.000 2.304 384 Y HA 0.346 4.896 4.550 0.000 0.000 0.327 384 Y C 0.065 176.023 175.900 0.097 0.000 1.209 384 Y CA -0.738 57.433 58.100 0.119 0.000 1.299 384 Y CB 1.008 39.570 38.460 0.170 0.000 1.249 384 Y HN 0.406 nan 8.280 nan 0.000 0.519 385 N N 6.192 124.359 118.700 -0.889 0.000 2.399 385 N HA 0.322 5.062 4.740 0.000 0.000 0.284 385 N C -0.567 174.479 175.510 -0.772 0.000 1.025 385 N CA -0.398 52.295 53.050 -0.596 0.000 0.885 385 N CB 1.641 39.944 38.487 -0.306 0.000 1.339 385 N HN 0.661 nan 8.380 nan 0.000 0.487 386 I N 0.000 120.363 120.570 -0.345 0.000 2.984 386 I HA 0.000 4.170 4.170 0.000 0.000 0.288 386 I CA 0.000 61.236 61.300 -0.106 0.000 1.566 386 I CB 0.000 38.000 38.000 -0.001 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494