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 2ewy_1_A DATA FIRST_RESID 16 DATA SEQUENCE LAMVDNLQGD SGRGYYLEML IGTPPQKLQI LVDTGSSNFA VAGTPHSYID DATA SEQUENCE TYFDTERSST YRSKGFDVTV KYTQGSWTGF VGEDLVTIPK GFNTSFLVNI DATA SEQUENCE ATIFESENFF LPGIKWNGIL GLAYATLAKP SSSLETFFDS LVTQANIPNV DATA SEQUENCE FSMQMcGAXX XXXXXXXNGG SLVLGGIEPS LYKGDIWYTP IKEEWYYQIE DATA SEQUENCE ILKLEIGGQS LNLDcREYNA DKAIVDSGTT LLRLPQKVFD AVVEAVARAS DATA SEQUENCE LIPEFSDGFW TGSQLAcWTN SETPWSYFPK ISIYLRDENS SRSFRITILP DATA SEQUENCE QLYIQPMMGA GLNYEcYRFG ISPSTNALVI GATVMEGFYV IFDRAQKRVG DATA SEQUENCE FAASPcAEIA GAAVSEISGP FSTEDVASNc VPA 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.861 176.870 -0.015 0.000 1.165 16 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 16 L CB 0.000 42.071 42.059 0.020 0.000 0.961 17 A N 0.851 123.651 122.820 -0.033 0.000 3.219 17 A HA 0.651 4.971 4.320 -0.000 0.000 0.314 17 A C 0.722 178.300 177.584 -0.010 0.000 1.081 17 A CA -0.278 51.749 52.037 -0.015 0.000 0.995 17 A CB 0.020 19.010 19.000 -0.018 0.000 1.067 17 A HN 0.547 nan 8.150 nan 0.000 0.533 18 M N 0.379 119.981 119.600 0.004 0.000 2.419 18 M HA 0.148 4.627 4.480 -0.000 0.000 0.252 18 M C -0.139 176.183 176.300 0.036 0.000 1.143 18 M CA 0.093 55.410 55.300 0.028 0.000 0.985 18 M CB 0.445 33.077 32.600 0.053 0.000 1.489 18 M HN 0.201 nan 8.290 nan 0.000 0.484 19 V N 2.468 122.393 119.914 0.019 0.000 2.763 19 V HA -0.079 4.041 4.120 -0.000 0.000 0.306 19 V C 0.604 176.704 176.094 0.010 0.000 1.059 19 V CA 0.665 62.970 62.300 0.008 0.000 1.138 19 V CB 0.287 32.105 31.823 -0.009 0.000 0.940 19 V HN 0.582 nan 8.190 nan 0.000 0.489 20 D N 2.441 122.845 120.400 0.006 0.000 3.012 20 D HA -0.178 4.462 4.640 -0.000 0.000 0.222 20 D C 1.037 177.347 176.300 0.017 0.000 1.167 20 D CA 1.251 55.256 54.000 0.009 0.000 0.854 20 D CB -0.984 39.819 40.800 0.006 0.000 1.107 20 D HN 0.931 nan 8.370 nan 0.000 0.421 21 N N 0.396 119.112 118.700 0.027 0.000 2.461 21 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 21 N C 0.314 175.838 175.510 0.024 0.000 1.134 21 N CA 0.267 53.340 53.050 0.038 0.000 0.878 21 N CB 0.147 38.672 38.487 0.063 0.000 0.972 21 N HN 0.356 nan 8.380 nan 0.000 0.456 22 L N 0.265 121.490 121.223 0.004 0.000 2.362 22 L HA 0.438 4.778 4.340 -0.000 0.000 0.271 22 L C -0.170 176.634 176.870 -0.111 0.000 1.002 22 L CA -0.724 54.096 54.840 -0.034 0.000 0.818 22 L CB 2.143 44.228 42.059 0.042 0.000 1.298 22 L HN -0.003 nan 8.230 nan 0.000 0.420 23 Q N 0.913 120.471 119.800 -0.404 0.000 2.351 23 Q HA 0.808 5.148 4.340 -0.000 0.000 0.273 23 Q C -0.178 175.372 176.000 -0.751 0.000 1.077 23 Q CA -0.589 54.892 55.803 -0.538 0.000 0.843 23 Q CB 3.021 31.382 28.738 -0.628 0.000 1.367 23 Q HN 0.865 nan 8.270 nan 0.000 0.449 24 G N 1.288 109.837 108.800 -0.418 0.000 2.331 24 G HA2 0.127 4.087 3.960 -0.000 0.000 0.402 24 G HA3 0.127 4.087 3.960 -0.000 0.000 0.402 24 G C -2.007 172.503 174.900 -0.650 0.000 1.275 24 G CA -0.241 44.613 45.100 -0.409 0.000 1.003 24 G HN 0.783 nan 8.290 nan 0.000 0.500 25 D N -2.554 117.367 120.400 -0.799 0.000 2.692 25 D HA 0.584 5.224 4.640 -0.000 0.000 0.290 25 D C 1.046 177.127 176.300 -0.365 0.000 1.281 25 D CA 0.476 54.123 54.000 -0.589 0.000 0.804 25 D CB 0.881 41.582 40.800 -0.165 0.000 1.331 25 D HN 1.039 nan 8.370 nan 0.000 0.432 26 S N -0.710 114.990 115.700 0.000 0.000 2.420 26 S HA -0.105 4.365 4.470 -0.000 0.000 0.237 26 S C 1.855 176.494 174.600 0.065 0.000 1.023 26 S CA 2.338 60.615 58.200 0.128 0.000 0.991 26 S CB -1.054 62.232 63.200 0.144 0.000 0.792 26 S HN 0.617 nan 8.310 nan 0.000 0.488 27 G N 1.360 110.175 108.800 0.025 0.000 2.484 27 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 27 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 27 G C 1.445 176.374 174.900 0.048 0.000 1.219 27 G CA 0.522 45.642 45.100 0.033 0.000 0.791 27 G HN 0.528 nan 8.290 nan 0.000 0.550 28 R N 0.316 120.854 120.500 0.063 0.000 2.543 28 R HA 0.354 4.694 4.340 -0.000 0.000 0.323 28 R C 0.713 177.168 176.300 0.258 0.000 1.002 28 R CA 0.502 56.699 56.100 0.162 0.000 1.106 28 R CB 0.723 31.117 30.300 0.156 0.000 1.280 28 R HN 0.577 nan 8.270 nan 0.000 0.549 29 G N 0.924 109.778 108.800 0.091 0.000 2.612 29 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 29 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 29 G C -1.438 173.439 174.900 -0.037 0.000 1.274 29 G CA -0.975 44.160 45.100 0.058 0.000 0.849 29 G HN 0.107 nan 8.290 nan 0.000 0.595 30 Y N 0.166 120.484 120.300 0.031 0.000 2.341 30 Y HA 0.665 5.215 4.550 -0.000 0.000 0.337 30 Y C 0.639 176.542 175.900 0.006 0.000 1.014 30 Y CA -0.309 57.782 58.100 -0.013 0.000 1.111 30 Y CB 1.662 40.091 38.460 -0.052 0.000 1.194 30 Y HN 0.753 nan 8.280 nan 0.000 0.462 31 Y N 1.525 121.887 120.300 0.104 0.000 2.499 31 Y HA 0.759 5.309 4.550 -0.000 0.000 0.347 31 Y C -1.635 174.314 175.900 0.083 0.000 0.987 31 Y CA -1.799 56.337 58.100 0.062 0.000 1.044 31 Y CB 1.079 39.609 38.460 0.116 0.000 1.245 31 Y HN 0.499 nan 8.280 nan 0.000 0.461 32 L N 2.789 124.124 121.223 0.187 0.000 2.322 32 L HA 0.492 4.832 4.340 -0.000 0.000 0.279 32 L C -0.317 176.670 176.870 0.196 0.000 1.036 32 L CA -0.595 54.321 54.840 0.126 0.000 0.807 32 L CB 1.700 43.789 42.059 0.050 0.000 1.226 32 L HN 0.896 nan 8.230 nan 0.000 0.433 33 E N 5.686 125.991 120.200 0.175 0.000 2.146 33 E HA 0.502 4.852 4.350 -0.000 0.000 0.282 33 E C -1.371 175.316 176.600 0.144 0.000 0.989 33 E CA -0.573 55.934 56.400 0.178 0.000 0.799 33 E CB 0.818 30.615 29.700 0.162 0.000 1.088 33 E HN 0.709 nan 8.360 nan 0.000 0.397 34 M N 3.110 122.796 119.600 0.143 0.000 2.572 34 M HA 0.456 4.936 4.480 -0.000 0.000 0.299 34 M C -1.203 175.165 176.300 0.114 0.000 1.205 34 M CA -1.089 54.293 55.300 0.137 0.000 0.876 34 M CB 1.729 34.427 32.600 0.163 0.000 1.728 34 M HN 0.259 nan 8.290 nan 0.000 0.458 35 L N 3.179 124.453 121.223 0.085 0.000 2.295 35 L HA 0.655 4.994 4.340 -0.000 0.000 0.285 35 L C -0.866 176.027 176.870 0.037 0.000 1.035 35 L CA -0.576 54.298 54.840 0.058 0.000 0.806 35 L CB 1.291 43.374 42.059 0.041 0.000 1.214 35 L HN 0.671 nan 8.230 nan 0.000 0.426 36 I N 2.123 122.705 120.570 0.020 0.000 2.509 36 I HA 0.693 4.863 4.170 -0.000 0.000 0.293 36 I C 0.686 176.839 176.117 0.061 0.000 1.020 36 I CA -0.475 60.793 61.300 -0.054 0.000 1.088 36 I CB 1.864 39.651 38.000 -0.354 0.000 1.267 36 I HN 0.793 nan 8.210 nan 0.000 0.430 37 G N 4.076 112.926 108.800 0.083 0.000 2.782 37 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.228 37 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.228 37 G C -0.518 174.461 174.900 0.132 0.000 1.372 37 G CA -0.702 44.521 45.100 0.205 0.000 0.862 37 G HN 0.621 nan 8.290 nan 0.000 0.547 38 T N 3.620 118.252 114.554 0.130 0.000 2.890 38 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 38 T C -1.932 172.805 174.700 0.062 0.000 0.993 38 T CA -0.202 61.944 62.100 0.076 0.000 0.979 38 T CB 2.540 71.443 68.868 0.059 0.000 0.967 38 T HN 0.691 nan 8.240 nan 0.000 0.441 39 P HA 0.285 nan 4.420 nan 0.000 0.274 39 P C -2.881 174.456 177.300 0.061 0.000 1.264 39 P CA -1.445 61.679 63.100 0.040 0.000 0.795 39 P CB -0.490 31.224 31.700 0.024 0.000 1.064 40 P HA 0.268 nan 4.420 nan 0.000 0.279 40 P C -0.675 176.667 177.300 0.071 0.000 1.239 40 P CA 0.197 63.334 63.100 0.061 0.000 0.789 40 P CB 0.380 32.104 31.700 0.039 0.000 0.933 41 Q N 1.623 121.485 119.800 0.104 0.000 2.333 41 Q HA 0.285 4.625 4.340 -0.000 0.000 0.268 41 Q C -0.365 175.687 176.000 0.085 0.000 1.007 41 Q CA -0.859 55.008 55.803 0.107 0.000 0.810 41 Q CB 2.213 31.081 28.738 0.217 0.000 1.264 41 Q HN 0.274 nan 8.270 nan 0.000 0.452 42 K N 4.088 124.524 120.400 0.060 0.000 2.349 42 K HA 0.315 4.635 4.320 -0.000 0.000 0.288 42 K C -1.028 175.613 176.600 0.069 0.000 1.058 42 K CA 0.107 56.431 56.287 0.062 0.000 0.953 42 K CB 0.369 32.899 32.500 0.050 0.000 0.997 42 K HN 0.525 nan 8.250 nan 0.000 0.477 43 L N 3.109 124.385 121.223 0.089 0.000 2.333 43 L HA 0.361 4.701 4.340 -0.000 0.000 0.263 43 L C -0.634 176.317 176.870 0.136 0.000 1.014 43 L CA -1.256 53.645 54.840 0.102 0.000 0.820 43 L CB 2.199 44.318 42.059 0.099 0.000 1.352 43 L HN 0.545 nan 8.230 nan 0.000 0.421 44 Q N 2.941 122.827 119.800 0.143 0.000 2.425 44 Q HA 0.460 4.800 4.340 -0.000 0.000 0.254 44 Q C -0.815 175.330 176.000 0.243 0.000 1.032 44 Q CA -0.591 55.324 55.803 0.187 0.000 0.798 44 Q CB 2.081 30.840 28.738 0.036 0.000 1.210 44 Q HN 0.316 nan 8.270 nan 0.000 0.491 45 I N 2.935 123.652 120.570 0.244 0.000 2.365 45 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 45 I C 0.320 176.499 176.117 0.104 0.000 1.004 45 I CA -1.141 60.271 61.300 0.187 0.000 1.311 45 I CB 0.683 38.771 38.000 0.148 0.000 1.401 45 I HN 0.417 nan 8.210 nan 0.000 0.491 46 L N 8.047 129.202 121.223 -0.113 0.000 2.313 46 L HA 0.281 4.621 4.340 -0.000 0.000 0.282 46 L C -0.190 176.535 176.870 -0.242 0.000 1.092 46 L CA 0.034 54.646 54.840 -0.380 0.000 0.831 46 L CB 0.922 42.278 42.059 -1.171 0.000 1.159 46 L HN 0.300 nan 8.230 nan 0.000 0.442 47 V N 5.339 125.164 119.914 -0.148 0.000 2.415 47 V HA 0.180 4.300 4.120 -0.000 0.000 0.267 47 V C -0.260 175.742 176.094 -0.152 0.000 1.042 47 V CA -0.148 62.063 62.300 -0.148 0.000 1.000 47 V CB 0.719 32.482 31.823 -0.099 0.000 1.015 47 V HN 0.840 nan 8.190 nan 0.000 0.478 48 D N 3.272 123.576 120.400 -0.159 0.000 2.454 48 D HA 0.237 4.877 4.640 -0.000 0.000 0.247 48 D C 1.081 177.336 176.300 -0.076 0.000 1.129 48 D CA -0.191 53.742 54.000 -0.111 0.000 0.877 48 D CB 1.704 42.443 40.800 -0.103 0.000 1.082 48 D HN 0.565 nan 8.370 nan 0.000 0.537 49 T N 0.015 114.531 114.554 -0.064 0.000 3.160 49 T HA 0.135 4.485 4.350 -0.000 0.000 0.257 49 T C 1.496 176.286 174.700 0.149 0.000 1.147 49 T CA 0.257 62.347 62.100 -0.015 0.000 1.064 49 T CB 0.138 68.897 68.868 -0.182 0.000 0.949 49 T HN 0.310 nan 8.240 nan 0.000 0.526 50 G N 0.787 109.658 108.800 0.119 0.000 3.284 50 G HA2 0.458 4.418 3.960 -0.000 0.000 0.236 50 G HA3 0.458 4.418 3.960 -0.000 0.000 0.236 50 G C 0.239 175.288 174.900 0.248 0.000 1.158 50 G CA 0.109 45.326 45.100 0.195 0.000 0.774 50 G HN 0.821 nan 8.290 nan 0.000 0.545 51 S N -1.908 113.899 115.700 0.178 0.000 2.661 51 S HA 0.588 5.058 4.470 -0.000 0.000 0.268 51 S C -0.420 174.254 174.600 0.123 0.000 1.162 51 S CA -0.335 57.981 58.200 0.194 0.000 0.817 51 S CB 1.488 64.921 63.200 0.389 0.000 1.141 51 S HN 0.018 nan 8.310 nan 0.000 0.477 52 S N 0.751 116.530 115.700 0.131 0.000 2.835 52 S HA 0.466 4.936 4.470 -0.000 0.000 0.248 52 S C -0.861 173.850 174.600 0.185 0.000 1.070 52 S CA -0.543 57.727 58.200 0.118 0.000 1.090 52 S CB -0.643 62.601 63.200 0.074 0.000 0.978 52 S HN 0.620 nan 8.310 nan 0.000 0.510 53 N N 0.977 119.838 118.700 0.269 0.000 2.240 53 N HA 0.515 5.255 4.740 -0.000 0.000 0.302 53 N C -1.602 174.144 175.510 0.394 0.000 1.106 53 N CA -0.517 52.744 53.050 0.352 0.000 0.778 53 N CB 1.530 40.297 38.487 0.465 0.000 1.431 53 N HN 0.329 nan 8.380 nan 0.000 0.479 54 F N 1.653 121.702 119.950 0.164 0.000 2.404 54 F HA 0.743 5.270 4.527 -0.000 0.000 0.354 54 F C -0.522 175.278 175.800 0.001 0.000 1.122 54 F CA -0.590 57.458 58.000 0.080 0.000 1.080 54 F CB 0.520 39.618 39.000 0.162 0.000 1.131 54 F HN 0.509 nan 8.300 nan 0.000 0.471 55 A N 5.809 128.514 122.820 -0.191 0.000 2.520 55 A HA 0.693 5.013 4.320 -0.000 0.000 0.298 55 A C -1.555 175.773 177.584 -0.426 0.000 1.051 55 A CA -0.494 51.219 52.037 -0.541 0.000 0.690 55 A CB 1.614 19.939 19.000 -1.125 0.000 1.281 55 A HN 0.973 nan 8.150 nan 0.000 0.402 56 V N -1.023 118.677 119.914 -0.357 0.000 3.102 56 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 56 V C 0.338 176.467 176.094 0.058 0.000 1.135 56 V CA -0.542 61.704 62.300 -0.089 0.000 1.022 56 V CB 1.326 33.074 31.823 -0.125 0.000 1.056 56 V HN 2.283 nan 8.190 nan 0.000 0.436 57 A N 1.347 124.301 122.820 0.222 0.000 2.520 57 A HA 0.556 4.876 4.320 -0.000 0.000 0.245 57 A C 1.236 178.945 177.584 0.207 0.000 1.072 57 A CA 0.492 52.660 52.037 0.218 0.000 0.761 57 A CB 0.037 19.099 19.000 0.104 0.000 1.004 57 A HN 2.042 nan 8.150 nan 0.000 0.499 58 G N 1.042 109.917 108.800 0.124 0.000 3.159 58 G HA2 0.404 4.364 3.960 -0.000 0.000 0.232 58 G HA3 0.404 4.364 3.960 -0.000 0.000 0.232 58 G C 0.509 175.302 174.900 -0.179 0.000 1.116 58 G CA 0.920 46.086 45.100 0.110 0.000 0.767 58 G HN 1.292 nan 8.290 nan 0.000 0.547 59 T N -2.918 111.409 114.554 -0.379 0.000 2.816 59 T HA 0.626 4.976 4.350 -0.000 0.000 0.299 59 T C -3.467 170.838 174.700 -0.660 0.000 1.230 59 T CA -1.626 60.036 62.100 -0.730 0.000 1.007 59 T CB 2.383 71.106 68.868 -0.242 0.000 1.289 59 T HN -0.182 nan 8.240 nan 0.000 0.508 60 P HA 0.543 nan 4.420 nan 0.000 0.272 60 P C -1.088 176.189 177.300 -0.038 0.000 1.230 60 P CA 0.105 63.134 63.100 -0.119 0.000 0.788 60 P CB 0.228 31.905 31.700 -0.038 0.000 0.949 61 H N -0.918 118.046 119.070 -0.177 0.000 3.079 61 H HA 0.240 4.796 4.556 -0.000 0.000 0.356 61 H C 0.946 176.117 175.328 -0.262 0.000 1.221 61 H CA -0.292 55.632 56.048 -0.206 0.000 1.185 61 H CB 0.918 30.521 29.762 -0.264 0.000 1.882 61 H HN 0.152 nan 8.280 nan 0.000 0.543 62 S N 1.708 116.808 115.700 -1.000 0.000 2.434 62 S HA -0.294 4.176 4.470 -0.000 0.000 0.250 62 S C 0.745 174.797 174.600 -0.913 0.000 1.102 62 S CA 2.363 59.990 58.200 -0.954 0.000 1.104 62 S CB -0.338 62.145 63.200 -1.194 0.000 0.957 62 S HN 0.631 nan 8.310 nan 0.000 0.456 63 Y N 0.400 120.619 120.300 -0.135 0.000 2.612 63 Y HA 0.477 5.027 4.550 -0.000 0.000 0.250 63 Y C 0.419 176.198 175.900 -0.202 0.000 1.175 63 Y CA -0.786 57.234 58.100 -0.134 0.000 1.205 63 Y CB 0.163 38.566 38.460 -0.095 0.000 1.201 63 Y HN 0.257 nan 8.280 nan 0.000 0.532 64 I N -2.185 118.289 120.570 -0.159 0.000 2.693 64 I HA 0.466 4.636 4.170 -0.000 0.000 0.303 64 I C 0.090 176.139 176.117 -0.113 0.000 1.025 64 I CA -0.814 60.374 61.300 -0.187 0.000 1.086 64 I CB 2.204 40.013 38.000 -0.320 0.000 1.268 64 I HN -0.031 nan 8.210 nan 0.000 0.440 65 D N 2.017 122.367 120.400 -0.083 0.000 2.440 65 D HA 0.163 4.803 4.640 -0.000 0.000 0.216 65 D C 0.228 176.504 176.300 -0.039 0.000 1.150 65 D CA 0.018 53.986 54.000 -0.053 0.000 0.832 65 D CB 0.716 41.484 40.800 -0.052 0.000 0.992 65 D HN 0.690 nan 8.370 nan 0.000 0.502 66 T N -0.610 113.929 114.554 -0.025 0.000 2.775 66 T HA 0.488 4.838 4.350 -0.000 0.000 0.320 66 T C -2.217 172.505 174.700 0.037 0.000 1.597 66 T CA -0.730 61.335 62.100 -0.059 0.000 1.022 66 T CB 1.067 69.886 68.868 -0.081 0.000 1.485 66 T HN 0.192 nan 8.240 nan 0.000 0.494 67 Y N 0.418 120.715 120.300 -0.004 0.000 2.689 67 Y HA 0.805 5.355 4.550 -0.000 0.000 0.333 67 Y C -1.828 174.127 175.900 0.092 0.000 1.208 67 Y CA -1.956 56.162 58.100 0.030 0.000 1.055 67 Y CB 0.605 39.063 38.460 -0.004 0.000 1.304 67 Y HN 0.621 nan 8.280 nan 0.000 0.455 68 F N 3.172 123.212 119.950 0.150 0.000 2.424 68 F HA 0.372 4.899 4.527 -0.000 0.000 0.356 68 F C -0.190 175.687 175.800 0.129 0.000 1.110 68 F CA -0.747 57.275 58.000 0.037 0.000 1.161 68 F CB 0.606 39.607 39.000 0.001 0.000 1.115 68 F HN 0.638 nan 8.300 nan 0.000 0.507 69 D N 4.887 124.935 120.400 -0.586 0.000 2.428 69 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 69 D C 1.254 176.974 176.300 -0.966 0.000 1.123 69 D CA 0.115 53.822 54.000 -0.487 0.000 0.869 69 D CB 1.261 41.906 40.800 -0.258 0.000 1.032 69 D HN 0.752 nan 8.370 nan 0.000 0.506 70 T N 0.792 114.739 114.554 -1.012 0.000 2.803 70 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 70 T C 1.371 175.727 174.700 -0.572 0.000 1.052 70 T CA 0.915 62.391 62.100 -1.040 0.000 1.136 70 T CB -0.082 68.066 68.868 -1.201 0.000 0.864 70 T HN 0.416 nan 8.240 nan 0.000 0.467 71 E N 0.891 120.854 120.200 -0.395 0.000 2.401 71 E HA -0.038 4.311 4.350 -0.000 0.000 0.199 71 E C 1.957 178.455 176.600 -0.170 0.000 1.023 71 E CA 0.458 56.722 56.400 -0.226 0.000 0.859 71 E CB -0.001 29.597 29.700 -0.171 0.000 0.780 71 E HN 0.572 nan 8.360 nan 0.000 0.523 72 R N -0.068 120.305 120.500 -0.213 0.000 2.393 72 R HA 0.125 4.465 4.340 -0.000 0.000 0.244 72 R C 0.379 176.634 176.300 -0.075 0.000 0.920 72 R CA -0.042 55.980 56.100 -0.131 0.000 1.076 72 R CB 0.737 30.956 30.300 -0.135 0.000 1.119 72 R HN -0.171 nan 8.270 nan 0.000 0.524 73 S N 0.618 116.280 115.700 -0.063 0.000 2.566 73 S HA 0.103 4.573 4.470 -0.000 0.000 0.324 73 S C 1.047 175.704 174.600 0.095 0.000 1.081 73 S CA -0.691 57.548 58.200 0.066 0.000 1.105 73 S CB 1.267 64.592 63.200 0.208 0.000 0.981 73 S HN 0.297 nan 8.310 nan 0.000 0.464 74 S N 2.937 118.681 115.700 0.072 0.000 2.507 74 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 74 S C 1.411 176.061 174.600 0.083 0.000 0.988 74 S CA 1.101 59.340 58.200 0.064 0.000 0.944 74 S CB -0.704 62.519 63.200 0.039 0.000 0.762 74 S HN 0.852 nan 8.310 nan 0.000 0.526 75 T N -2.684 111.939 114.554 0.115 0.000 3.086 75 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 75 T C 0.113 174.897 174.700 0.140 0.000 1.074 75 T CA -0.581 61.581 62.100 0.103 0.000 0.988 75 T CB -0.602 68.318 68.868 0.086 0.000 0.988 75 T HN 0.429 nan 8.240 nan 0.000 0.530 76 Y N 3.257 123.602 120.300 0.076 0.000 2.335 76 Y HA 0.514 5.064 4.550 -0.000 0.000 0.331 76 Y C -0.162 175.764 175.900 0.043 0.000 1.094 76 Y CA -1.107 57.047 58.100 0.091 0.000 1.253 76 Y CB 0.519 39.052 38.460 0.122 0.000 1.203 76 Y HN -0.061 nan 8.280 nan 0.000 0.508 77 R N 3.981 124.101 120.500 -0.632 0.000 2.621 77 R HA 0.285 4.625 4.340 -0.000 0.000 0.292 77 R C -0.821 175.028 176.300 -0.752 0.000 0.969 77 R CA -0.969 54.863 56.100 -0.447 0.000 0.887 77 R CB 1.681 31.843 30.300 -0.231 0.000 1.180 77 R HN 0.692 nan 8.270 nan 0.000 0.450 78 S N 0.960 116.433 115.700 -0.377 0.000 2.545 78 S HA 0.167 4.636 4.470 -0.000 0.000 0.275 78 S C 0.778 175.272 174.600 -0.177 0.000 1.299 78 S CA -0.346 57.719 58.200 -0.225 0.000 1.048 78 S CB 0.704 63.907 63.200 0.005 0.000 0.938 78 S HN 0.549 nan 8.310 nan 0.000 0.496 79 K N 2.766 123.042 120.400 -0.208 0.000 2.426 79 K HA 0.214 4.533 4.320 -0.000 0.000 0.193 79 K C 1.311 177.823 176.600 -0.146 0.000 1.028 79 K CA 0.643 56.802 56.287 -0.213 0.000 1.047 79 K CB -0.067 32.216 32.500 -0.362 0.000 0.821 79 K HN 1.000 nan 8.250 nan 0.000 0.513 80 G N 0.818 109.563 108.800 -0.091 0.000 2.175 80 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 80 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 80 G C -0.068 174.955 174.900 0.205 0.000 0.982 80 G CA 0.437 45.581 45.100 0.073 0.000 0.641 80 G HN 0.323 nan 8.290 nan 0.000 0.527 81 F N -0.709 119.333 119.950 0.153 0.000 2.662 81 F HA 0.834 5.361 4.527 -0.000 0.000 0.312 81 F C -0.806 175.111 175.800 0.194 0.000 1.113 81 F CA -2.047 56.044 58.000 0.150 0.000 0.951 81 F CB 0.687 39.748 39.000 0.102 0.000 1.344 81 F HN -0.103 nan 8.300 nan 0.000 0.462 82 D N 0.787 121.445 120.400 0.430 0.000 2.332 82 D HA 0.625 5.265 4.640 -0.000 0.000 0.252 82 D C -1.064 175.456 176.300 0.366 0.000 1.050 82 D CA -0.329 53.858 54.000 0.312 0.000 0.970 82 D CB 2.341 43.275 40.800 0.222 0.000 1.141 82 D HN 0.589 nan 8.370 nan 0.000 0.485 83 V N -0.221 119.850 119.914 0.262 0.000 2.971 83 V HA 0.636 4.756 4.120 -0.000 0.000 0.309 83 V C -1.277 174.831 176.094 0.024 0.000 1.130 83 V CA -0.322 62.094 62.300 0.193 0.000 0.964 83 V CB 2.401 34.400 31.823 0.293 0.000 1.029 83 V HN 0.589 nan 8.190 nan 0.000 0.427 84 T N 4.358 118.814 114.554 -0.163 0.000 2.928 84 T HA 0.689 5.039 4.350 -0.000 0.000 0.296 84 T C -1.603 172.716 174.700 -0.635 0.000 1.000 84 T CA -0.292 61.557 62.100 -0.419 0.000 0.989 84 T CB 1.241 69.937 68.868 -0.287 0.000 1.005 84 T HN 0.622 nan 8.240 nan 0.000 0.442 85 V N 5.760 124.966 119.914 -1.181 0.000 2.555 85 V HA 0.608 4.728 4.120 -0.000 0.000 0.302 85 V C -0.087 175.373 176.094 -1.056 0.000 1.038 85 V CA -0.854 60.765 62.300 -1.135 0.000 0.887 85 V CB 1.889 32.843 31.823 -1.450 0.000 0.991 85 V HN 0.819 nan 8.190 nan 0.000 0.434 86 K N 4.165 124.136 120.400 -0.716 0.000 2.394 86 K HA 0.509 4.829 4.320 -0.000 0.000 0.260 86 K C -1.308 175.052 176.600 -0.400 0.000 0.967 86 K CA -0.475 55.520 56.287 -0.487 0.000 0.855 86 K CB 1.013 33.358 32.500 -0.258 0.000 1.101 86 K HN 0.559 nan 8.250 nan 0.000 0.433 87 Y N 0.920 121.175 120.300 -0.075 0.000 2.378 87 Y HA 0.085 4.635 4.550 -0.000 0.000 0.351 87 Y C 2.176 178.075 175.900 -0.001 0.000 1.351 87 Y CA -0.345 57.755 58.100 -0.001 0.000 1.616 87 Y CB 0.219 38.721 38.460 0.069 0.000 1.622 87 Y HN 0.583 nan 8.280 nan 0.000 0.568 88 T N -0.153 114.518 114.554 0.195 0.000 2.699 88 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 88 T C 0.067 174.815 174.700 0.081 0.000 1.036 88 T CA 1.604 63.754 62.100 0.084 0.000 1.147 88 T CB -0.248 68.646 68.868 0.044 0.000 0.862 88 T HN 0.400 nan 8.240 nan 0.000 0.446 89 Q N -0.908 118.966 119.800 0.123 0.000 2.296 89 Q HA 0.497 4.836 4.340 -0.000 0.000 0.254 89 Q C -0.555 175.546 176.000 0.167 0.000 0.936 89 Q CA -0.401 55.466 55.803 0.106 0.000 0.834 89 Q CB 2.353 31.131 28.738 0.065 0.000 1.340 89 Q HN 0.481 nan 8.270 nan 0.000 0.428 90 G N 1.294 110.198 108.800 0.173 0.000 2.515 90 G HA2 0.193 4.153 3.960 -0.000 0.000 0.686 90 G HA3 0.193 4.153 3.960 -0.000 0.000 0.686 90 G C -0.958 174.088 174.900 0.243 0.000 1.274 90 G CA -0.340 44.910 45.100 0.249 0.000 0.874 90 G HN 1.045 nan 8.290 nan 0.000 0.631 91 S N -0.406 115.398 115.700 0.173 0.000 2.595 91 S HA 0.869 5.339 4.470 -0.000 0.000 0.270 91 S C -0.928 173.561 174.600 -0.185 0.000 1.145 91 S CA -0.028 58.091 58.200 -0.135 0.000 0.825 91 S CB 1.642 64.717 63.200 -0.210 0.000 1.107 91 S HN 2.426 nan 8.310 nan 0.000 0.461 92 W N -0.331 120.770 121.300 -0.331 0.000 3.042 92 W HA 0.747 5.407 4.660 -0.000 0.000 0.342 92 W C -1.895 174.381 176.519 -0.405 0.000 1.240 92 W CA -1.023 56.064 57.345 -0.430 0.000 1.166 92 W CB 0.909 29.961 29.460 -0.679 0.000 1.469 92 W HN 0.742 nan 8.180 nan 0.000 0.579 93 T N 1.177 115.695 114.554 -0.061 0.000 2.921 93 T HA 0.696 5.046 4.350 -0.000 0.000 0.297 93 T C -0.273 174.101 174.700 -0.542 0.000 1.013 93 T CA -0.397 61.520 62.100 -0.304 0.000 0.990 93 T CB 1.976 70.490 68.868 -0.589 0.000 1.023 93 T HN 0.895 nan 8.240 nan 0.000 0.447 94 G N 1.049 109.766 108.800 -0.138 0.000 2.682 94 G HA2 0.674 4.634 3.960 -0.000 0.000 0.290 94 G HA3 0.674 4.634 3.960 -0.000 0.000 0.290 94 G C -1.673 173.328 174.900 0.168 0.000 1.425 94 G CA -0.857 44.222 45.100 -0.035 0.000 0.807 94 G HN 0.515 nan 8.290 nan 0.000 0.482 95 F N 0.161 120.348 119.950 0.396 0.000 2.396 95 F HA 0.490 5.017 4.527 -0.000 0.000 0.343 95 F C 0.760 176.640 175.800 0.133 0.000 1.104 95 F CA -0.667 57.478 58.000 0.241 0.000 1.161 95 F CB 1.688 40.795 39.000 0.179 0.000 1.146 95 F HN 0.077 nan 8.300 nan 0.000 0.522 96 V N 2.654 122.645 119.914 0.128 0.000 2.498 96 V HA 0.773 4.893 4.120 -0.000 0.000 0.279 96 V C 0.464 176.506 176.094 -0.087 0.000 1.048 96 V CA -0.087 62.178 62.300 -0.060 0.000 0.967 96 V CB 0.807 32.364 31.823 -0.442 0.000 0.988 96 V HN 0.992 nan 8.190 nan 0.000 0.473 97 G N 3.958 112.764 108.800 0.011 0.000 2.749 97 G HA2 0.691 4.651 3.960 -0.000 0.000 0.300 97 G HA3 0.691 4.651 3.960 -0.000 0.000 0.300 97 G C -1.493 173.339 174.900 -0.113 0.000 1.352 97 G CA -0.545 44.475 45.100 -0.133 0.000 0.789 97 G HN 0.541 nan 8.290 nan 0.000 0.509 98 E N -0.516 119.514 120.200 -0.284 0.000 2.336 98 E HA 0.608 4.958 4.350 -0.000 0.000 0.267 98 E C -1.652 174.913 176.600 -0.058 0.000 0.906 98 E CA -0.732 55.604 56.400 -0.107 0.000 0.781 98 E CB 2.983 32.618 29.700 -0.108 0.000 1.261 98 E HN 0.367 nan 8.360 nan 0.000 0.436 99 D N 0.527 120.962 120.400 0.058 0.000 2.798 99 D HA 0.207 4.847 4.640 -0.000 0.000 0.265 99 D C -1.439 174.907 176.300 0.078 0.000 1.223 99 D CA -0.507 53.558 54.000 0.109 0.000 0.743 99 D CB 1.263 42.208 40.800 0.241 0.000 1.276 99 D HN 0.283 nan 8.370 nan 0.000 0.421 100 L N 0.991 122.246 121.223 0.053 0.000 2.371 100 L HA 0.557 4.897 4.340 -0.000 0.000 0.272 100 L C 0.035 176.883 176.870 -0.037 0.000 1.124 100 L CA -0.571 54.262 54.840 -0.011 0.000 0.816 100 L CB 1.268 43.312 42.059 -0.026 0.000 1.129 100 L HN 0.096 nan 8.230 nan 0.000 0.448 101 V N 1.454 121.277 119.914 -0.152 0.000 2.823 101 V HA 0.552 4.672 4.120 -0.000 0.000 0.312 101 V C -0.258 175.554 176.094 -0.470 0.000 1.072 101 V CA -0.497 61.714 62.300 -0.149 0.000 0.937 101 V CB 2.355 34.235 31.823 0.095 0.000 1.013 101 V HN 0.772 nan 8.190 nan 0.000 0.430 102 T N 4.462 118.872 114.554 -0.240 0.000 2.928 102 T HA 0.571 4.921 4.350 -0.000 0.000 0.296 102 T C -0.521 174.172 174.700 -0.012 0.000 1.000 102 T CA -0.165 61.795 62.100 -0.233 0.000 0.989 102 T CB 1.063 69.863 68.868 -0.113 0.000 1.005 102 T HN 0.420 nan 8.240 nan 0.000 0.442 103 I N 5.732 126.368 120.570 0.109 0.000 2.310 103 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 103 I C -1.593 174.655 176.117 0.219 0.000 1.073 103 I CA -2.428 59.017 61.300 0.242 0.000 1.216 103 I CB 1.496 39.753 38.000 0.428 0.000 1.415 103 I HN 0.377 nan 8.210 nan 0.000 0.480 104 P HA -0.235 nan 4.420 nan 0.000 0.214 104 P C -0.208 177.158 177.300 0.109 0.000 1.099 104 P CA 1.668 64.832 63.100 0.106 0.000 0.976 104 P CB 0.077 31.832 31.700 0.091 0.000 0.774 105 K N -0.003 120.463 120.400 0.109 0.000 2.262 105 K HA 0.429 4.749 4.320 -0.000 0.000 0.288 105 K C 0.866 177.520 176.600 0.091 0.000 1.090 105 K CA 0.379 56.714 56.287 0.080 0.000 0.918 105 K CB 0.096 32.636 32.500 0.067 0.000 1.139 105 K HN 0.330 nan 8.250 nan 0.000 0.462 106 G N 3.070 111.885 108.800 0.025 0.000 3.145 106 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.195 106 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.195 106 G C -0.991 173.706 174.900 -0.339 0.000 2.278 106 G CA -0.764 44.240 45.100 -0.161 0.000 1.441 106 G HN 0.370 nan 8.290 nan 0.000 0.452 107 F N 2.013 122.052 119.950 0.148 0.000 2.460 107 F HA 0.613 5.140 4.527 -0.000 0.000 0.341 107 F C 0.239 176.104 175.800 0.108 0.000 1.130 107 F CA -1.065 57.038 58.000 0.173 0.000 0.962 107 F CB 1.924 41.133 39.000 0.347 0.000 1.171 107 F HN 0.080 nan 8.300 nan 0.000 0.436 108 N N 0.314 119.139 118.700 0.209 0.000 2.251 108 N HA 0.104 4.844 4.740 -0.000 0.000 0.217 108 N C -0.476 175.078 175.510 0.073 0.000 1.124 108 N CA 0.041 53.157 53.050 0.110 0.000 0.843 108 N CB 0.615 39.144 38.487 0.069 0.000 1.024 108 N HN 0.394 nan 8.380 nan 0.000 0.501 109 T N 0.723 115.344 114.554 0.112 0.000 3.053 109 T HA 0.195 4.545 4.350 -0.000 0.000 0.363 109 T C -0.043 174.633 174.700 -0.039 0.000 1.239 109 T CA -0.758 61.380 62.100 0.064 0.000 1.071 109 T CB 0.286 69.230 68.868 0.125 0.000 1.089 109 T HN 0.230 nan 8.240 nan 0.000 0.527 110 S N 3.175 118.755 115.700 -0.200 0.000 2.571 110 S HA 0.239 4.709 4.470 -0.000 0.000 0.298 110 S C -0.138 174.235 174.600 -0.378 0.000 1.280 110 S CA -0.231 57.691 58.200 -0.464 0.000 1.052 110 S CB -0.400 62.648 63.200 -0.254 0.000 0.799 110 S HN 0.527 nan 8.310 nan 0.000 0.501 111 F N -0.329 119.576 119.950 -0.076 0.000 2.603 111 F HA 0.706 5.233 4.527 -0.000 0.000 0.317 111 F C -0.745 174.980 175.800 -0.125 0.000 1.066 111 F CA -1.983 55.941 58.000 -0.125 0.000 0.941 111 F CB 0.681 39.550 39.000 -0.219 0.000 1.291 111 F HN 0.477 nan 8.300 nan 0.000 0.472 112 L N 3.642 124.930 121.223 0.108 0.000 2.313 112 L HA 0.694 5.034 4.340 -0.000 0.000 0.282 112 L C -0.376 176.507 176.870 0.022 0.000 1.092 112 L CA -0.353 54.514 54.840 0.045 0.000 0.831 112 L CB 0.734 42.804 42.059 0.018 0.000 1.159 112 L HN 0.705 nan 8.230 nan 0.000 0.442 113 V N 2.314 122.258 119.914 0.049 0.000 3.040 113 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 113 V C -0.190 175.992 176.094 0.145 0.000 1.115 113 V CA -1.135 61.193 62.300 0.047 0.000 0.998 113 V CB 1.888 33.718 31.823 0.012 0.000 1.042 113 V HN 0.702 nan 8.190 nan 0.000 0.433 114 N N 1.743 120.542 118.700 0.165 0.000 2.444 114 N HA 0.585 5.325 4.740 -0.000 0.000 0.255 114 N C -0.737 174.941 175.510 0.279 0.000 1.255 114 N CA 0.038 53.192 53.050 0.174 0.000 0.933 114 N CB 1.776 40.366 38.487 0.171 0.000 1.143 114 N HN 0.969 nan 8.380 nan 0.000 0.453 115 I N -0.217 120.464 120.570 0.184 0.000 2.685 115 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 115 I C -1.362 174.797 176.117 0.070 0.000 1.292 115 I CA -0.637 60.718 61.300 0.092 0.000 1.050 115 I CB 1.460 39.461 38.000 0.001 0.000 1.301 115 I HN 0.500 nan 8.210 nan 0.000 0.425 116 A N 4.657 127.460 122.820 -0.028 0.000 2.274 116 A HA 0.714 5.034 4.320 -0.000 0.000 0.309 116 A C -0.347 177.172 177.584 -0.108 0.000 1.226 116 A CA -0.275 51.750 52.037 -0.020 0.000 0.853 116 A CB 0.587 19.531 19.000 -0.094 0.000 1.146 116 A HN 0.638 nan 8.150 nan 0.000 0.518 117 T N 4.044 118.658 114.554 0.100 0.000 2.801 117 T HA 0.368 4.718 4.350 -0.000 0.000 0.306 117 T C 0.151 174.943 174.700 0.153 0.000 1.020 117 T CA 0.015 62.214 62.100 0.165 0.000 0.948 117 T CB -0.050 69.023 68.868 0.341 0.000 0.962 117 T HN 0.475 nan 8.240 nan 0.000 0.465 118 I N 4.797 125.338 120.570 -0.048 0.000 2.581 118 I HA 0.059 4.229 4.170 -0.000 0.000 0.285 118 I C 0.871 177.026 176.117 0.062 0.000 1.129 118 I CA 0.098 61.339 61.300 -0.098 0.000 1.397 118 I CB 0.127 38.024 38.000 -0.171 0.000 1.399 118 I HN 0.725 nan 8.210 nan 0.000 0.537 119 F N 3.667 123.627 119.950 0.018 0.000 2.682 119 F HA 0.477 5.004 4.527 -0.000 0.000 0.308 119 F C 0.368 176.182 175.800 0.024 0.000 1.093 119 F CA -0.316 57.702 58.000 0.030 0.000 1.244 119 F CB 0.300 39.323 39.000 0.039 0.000 1.052 119 F HN 0.342 nan 8.300 nan 0.000 0.573 120 E N 1.672 121.674 120.200 -0.330 0.000 2.397 120 E HA 0.372 4.722 4.350 -0.000 0.000 0.293 120 E C -1.708 174.815 176.600 -0.128 0.000 0.930 120 E CA -0.095 56.198 56.400 -0.177 0.000 0.793 120 E CB 2.083 31.631 29.700 -0.253 0.000 1.259 120 E HN 0.271 nan 8.360 nan 0.000 0.406 121 S N 2.953 118.649 115.700 -0.007 0.000 2.618 121 S HA 0.791 5.261 4.470 -0.000 0.000 0.277 121 S C -0.893 173.765 174.600 0.098 0.000 1.138 121 S CA -0.829 57.388 58.200 0.029 0.000 0.844 121 S CB 2.495 65.714 63.200 0.032 0.000 1.127 121 S HN 0.367 nan 8.310 nan 0.000 0.474 122 E N 0.647 120.923 120.200 0.127 0.000 2.287 122 E HA 0.476 4.826 4.350 -0.000 0.000 0.274 122 E C -0.889 175.827 176.600 0.192 0.000 0.896 122 E CA -0.235 56.255 56.400 0.151 0.000 0.788 122 E CB 0.845 30.598 29.700 0.088 0.000 1.244 122 E HN 0.666 nan 8.360 nan 0.000 0.408 123 N N 2.779 121.609 118.700 0.216 0.000 2.708 123 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 123 N C -0.119 175.527 175.510 0.226 0.000 1.097 123 N CA 0.857 54.025 53.050 0.196 0.000 0.710 123 N CB -0.842 37.729 38.487 0.141 0.000 1.032 123 N HN 0.453 nan 8.380 nan 0.000 0.551 124 F N -0.067 119.920 119.950 0.061 0.000 2.390 124 F HA 0.302 4.829 4.527 -0.000 0.000 0.281 124 F C 0.551 176.303 175.800 -0.079 0.000 1.016 124 F CA 0.366 58.338 58.000 -0.048 0.000 1.286 124 F CB 0.089 38.960 39.000 -0.214 0.000 1.134 124 F HN -0.056 nan 8.300 nan 0.000 0.597 125 F N 2.848 122.890 119.950 0.155 0.000 2.424 125 F HA 0.392 4.919 4.527 -0.000 0.000 0.356 125 F C -0.120 175.685 175.800 0.008 0.000 1.110 125 F CA -0.494 57.472 58.000 -0.057 0.000 1.161 125 F CB 0.441 39.519 39.000 0.130 0.000 1.115 125 F HN -0.218 nan 8.300 nan 0.000 0.507 126 L N 4.411 125.571 121.223 -0.105 0.000 2.376 126 L HA 0.548 4.888 4.340 -0.000 0.000 0.267 126 L C -2.341 174.066 176.870 -0.772 0.000 1.035 126 L CA -2.429 52.207 54.840 -0.340 0.000 0.800 126 L CB 1.044 42.970 42.059 -0.222 0.000 1.290 126 L HN 0.293 nan 8.230 nan 0.000 0.462 127 P HA 0.130 nan 4.420 nan 0.000 0.271 127 P C 0.490 177.556 177.300 -0.390 0.000 1.216 127 P CA 0.501 63.002 63.100 -0.997 0.000 0.771 127 P CB 0.821 32.123 31.700 -0.662 0.000 0.864 128 G N 2.485 111.160 108.800 -0.209 0.000 2.179 128 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 128 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 128 G C 0.292 175.090 174.900 -0.171 0.000 0.977 128 G CA 0.239 45.258 45.100 -0.135 0.000 0.641 128 G HN 0.656 nan 8.290 nan 0.000 0.533 129 I N -2.216 118.176 120.570 -0.298 0.000 2.779 129 I HA 0.553 4.723 4.170 -0.000 0.000 0.285 129 I C 1.088 176.937 176.117 -0.447 0.000 1.134 129 I CA -0.259 60.756 61.300 -0.474 0.000 1.398 129 I CB 0.669 37.994 38.000 -1.125 0.000 1.404 129 I HN -0.072 nan 8.210 nan 0.000 0.587 130 K N 4.140 124.280 120.400 -0.433 0.000 2.358 130 K HA 0.180 4.500 4.320 -0.000 0.000 0.200 130 K C -0.276 176.007 176.600 -0.529 0.000 1.030 130 K CA -0.132 55.908 56.287 -0.413 0.000 1.097 130 K CB 0.255 32.569 32.500 -0.311 0.000 0.862 130 K HN 0.697 nan 8.250 nan 0.000 0.534 131 W N 1.252 122.282 121.300 -0.449 0.000 2.390 131 W HA 0.302 4.962 4.660 -0.000 0.000 0.362 131 W C -0.167 176.328 176.519 -0.039 0.000 1.206 131 W CA -0.676 56.486 57.345 -0.305 0.000 1.355 131 W CB -0.088 29.255 29.460 -0.194 0.000 1.278 131 W HN -0.043 nan 8.180 nan 0.000 0.653 132 N N -0.479 118.490 118.700 0.449 0.000 2.286 132 N HA 0.397 5.137 4.740 -0.000 0.000 0.245 132 N C -0.469 175.401 175.510 0.600 0.000 1.363 132 N CA -0.281 53.028 53.050 0.432 0.000 0.822 132 N CB 0.861 39.418 38.487 0.117 0.000 1.345 132 N HN 0.747 nan 8.380 nan 0.000 0.494 133 G N -0.172 109.009 108.800 0.634 0.000 2.646 133 G HA2 0.598 4.558 3.960 -0.000 0.000 0.291 133 G HA3 0.598 4.558 3.960 -0.000 0.000 0.291 133 G C -2.048 173.001 174.900 0.249 0.000 1.445 133 G CA -0.802 44.521 45.100 0.371 0.000 0.814 133 G HN 0.205 nan 8.290 nan 0.000 0.495 134 I N 0.415 121.087 120.570 0.170 0.000 2.545 134 I HA 0.688 4.858 4.170 -0.000 0.000 0.292 134 I C -1.497 174.712 176.117 0.152 0.000 1.040 134 I CA -1.318 60.019 61.300 0.062 0.000 1.068 134 I CB 2.006 40.087 38.000 0.134 0.000 1.251 134 I HN 0.469 nan 8.210 nan 0.000 0.424 135 L N 8.085 129.312 121.223 0.006 0.000 2.295 135 L HA 0.661 5.001 4.340 -0.000 0.000 0.281 135 L C -0.079 176.725 176.870 -0.110 0.000 1.018 135 L CA -0.032 54.743 54.840 -0.109 0.000 0.841 135 L CB 0.968 42.785 42.059 -0.403 0.000 1.218 135 L HN 0.625 nan 8.230 nan 0.000 0.424 136 G N 5.514 114.321 108.800 0.011 0.000 2.349 136 G HA2 0.403 4.363 3.960 -0.000 0.000 0.281 136 G HA3 0.403 4.363 3.960 -0.000 0.000 0.281 136 G C 0.269 175.127 174.900 -0.070 0.000 1.182 136 G CA -0.463 44.652 45.100 0.025 0.000 0.899 136 G HN 0.727 nan 8.290 nan 0.000 0.455 137 L N 2.153 123.287 121.223 -0.148 0.000 2.818 137 L HA 0.283 4.623 4.340 -0.000 0.000 0.243 137 L C 1.611 178.430 176.870 -0.085 0.000 1.185 137 L CA -0.305 54.370 54.840 -0.276 0.000 0.988 137 L CB -0.131 41.514 42.059 -0.689 0.000 1.292 137 L HN 0.595 nan 8.230 nan 0.000 0.519 138 A N -0.774 122.008 122.820 -0.062 0.000 2.336 138 A HA 0.426 4.745 4.320 -0.000 0.000 0.278 138 A C -0.539 176.870 177.584 -0.292 0.000 1.371 138 A CA -0.127 51.773 52.037 -0.229 0.000 0.842 138 A CB 0.062 18.988 19.000 -0.123 0.000 1.363 138 A HN 0.130 nan 8.150 nan 0.000 0.517 139 Y N -1.630 118.595 120.300 -0.126 0.000 2.298 139 Y HA 0.379 4.929 4.550 -0.000 0.000 0.329 139 Y C 1.707 177.610 175.900 0.004 0.000 1.293 139 Y CA 0.357 58.439 58.100 -0.030 0.000 1.388 139 Y CB 0.893 39.330 38.460 -0.037 0.000 1.309 139 Y HN 0.672 nan 8.280 nan 0.000 0.544 140 A N 0.572 123.529 122.820 0.228 0.000 1.908 140 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 140 A C 2.097 179.741 177.584 0.100 0.000 1.181 140 A CA 2.389 54.508 52.037 0.137 0.000 0.627 140 A CB -1.465 17.608 19.000 0.122 0.000 0.818 140 A HN 0.938 nan 8.150 nan 0.000 0.445 141 T N 0.551 115.167 114.554 0.103 0.000 2.685 141 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 141 T C 1.683 176.408 174.700 0.041 0.000 1.034 141 T CA 1.670 63.805 62.100 0.060 0.000 1.149 141 T CB -0.490 68.412 68.868 0.057 0.000 0.860 141 T HN 0.368 nan 8.240 nan 0.000 0.449 142 L N 0.593 121.832 121.223 0.025 0.000 2.376 142 L HA 0.164 4.504 4.340 -0.000 0.000 0.219 142 L C 1.572 178.434 176.870 -0.013 0.000 1.133 142 L CA -0.348 54.462 54.840 -0.050 0.000 0.816 142 L CB -0.607 41.356 42.059 -0.159 0.000 0.933 142 L HN 0.230 nan 8.230 nan 0.000 0.449 143 A N 0.345 123.185 122.820 0.032 0.000 2.498 143 A HA 0.248 4.568 4.320 -0.000 0.000 0.239 143 A C -0.002 177.603 177.584 0.035 0.000 1.068 143 A CA 0.146 52.218 52.037 0.058 0.000 0.766 143 A CB 0.225 19.280 19.000 0.092 0.000 1.003 143 A HN 0.027 nan 8.150 nan 0.000 0.497 144 K N 2.433 122.855 120.400 0.036 0.000 2.203 144 K HA 0.489 4.809 4.320 -0.000 0.000 0.251 144 K C -1.838 174.816 176.600 0.090 0.000 0.944 144 K CA -2.218 54.074 56.287 0.008 0.000 0.829 144 K CB 1.691 34.140 32.500 -0.084 0.000 1.125 144 K HN 0.358 nan 8.250 nan 0.000 0.430 145 P HA -0.100 nan 4.420 nan 0.000 0.220 145 P C -0.528 176.761 177.300 -0.018 0.000 1.148 145 P CA 0.773 63.874 63.100 0.000 0.000 0.803 145 P CB 0.423 32.090 31.700 -0.054 0.000 0.782 146 S N -2.261 113.446 115.700 0.011 0.000 2.611 146 S HA 0.247 4.717 4.470 -0.000 0.000 0.268 146 S C 0.637 175.255 174.600 0.031 0.000 1.156 146 S CA -0.031 58.172 58.200 0.004 0.000 0.817 146 S CB 0.670 63.858 63.200 -0.021 0.000 1.122 146 S HN 0.025 nan 8.310 nan 0.000 0.466 147 S N 0.266 115.981 115.700 0.025 0.000 2.571 147 S HA -0.073 4.397 4.470 -0.000 0.000 0.245 147 S C 1.322 175.950 174.600 0.046 0.000 0.976 147 S CA 1.022 59.246 58.200 0.039 0.000 0.954 147 S CB -1.102 62.114 63.200 0.028 0.000 0.756 147 S HN 1.389 nan 8.310 nan 0.000 0.535 148 S N -0.121 115.605 115.700 0.044 0.000 2.524 148 S HA 0.308 4.778 4.470 -0.000 0.000 0.215 148 S C 0.310 174.960 174.600 0.082 0.000 0.986 148 S CA -0.557 57.674 58.200 0.050 0.000 0.911 148 S CB -0.348 62.870 63.200 0.031 0.000 0.805 148 S HN 0.434 nan 8.310 nan 0.000 0.501 149 L N 3.446 124.733 121.223 0.108 0.000 2.389 149 L HA 0.395 4.735 4.340 -0.000 0.000 0.265 149 L C 0.218 177.165 176.870 0.127 0.000 1.167 149 L CA -0.227 54.703 54.840 0.150 0.000 1.045 149 L CB -0.212 41.969 42.059 0.204 0.000 1.351 149 L HN 0.251 nan 8.230 nan 0.000 0.419 150 E N 2.142 122.401 120.200 0.097 0.000 3.056 150 E HA -0.126 4.224 4.350 -0.000 0.000 0.264 150 E C -0.255 176.400 176.600 0.092 0.000 0.899 150 E CA 0.390 56.835 56.400 0.075 0.000 0.966 150 E CB 0.456 30.178 29.700 0.037 0.000 0.913 150 E HN 0.577 nan 8.360 nan 0.000 0.522 151 T N 4.517 119.128 114.554 0.094 0.000 2.937 151 T HA -0.079 4.271 4.350 -0.000 0.000 0.316 151 T C 0.893 175.657 174.700 0.106 0.000 1.079 151 T CA -0.112 62.063 62.100 0.124 0.000 1.131 151 T CB 0.235 69.179 68.868 0.126 0.000 1.000 151 T HN 0.470 nan 8.240 nan 0.000 0.549 152 F N 2.684 122.626 119.950 -0.013 0.000 2.043 152 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 152 F C 1.891 177.608 175.800 -0.138 0.000 1.121 152 F CA 1.678 59.609 58.000 -0.115 0.000 1.199 152 F CB -0.375 38.464 39.000 -0.269 0.000 0.968 152 F HN 0.667 nan 8.300 nan 0.000 0.478 153 F N 1.628 121.595 119.950 0.028 0.000 2.091 153 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 153 F C 2.406 178.096 175.800 -0.183 0.000 1.103 153 F CA 2.182 60.107 58.000 -0.125 0.000 1.228 153 F CB -0.957 37.956 39.000 -0.145 0.000 0.984 153 F HN 0.038 nan 8.300 nan 0.000 0.477 154 D N -0.438 119.919 120.400 -0.072 0.000 2.149 154 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 154 D C 2.439 178.575 176.300 -0.273 0.000 1.001 154 D CA 1.751 55.666 54.000 -0.141 0.000 0.849 154 D CB -0.338 40.451 40.800 -0.019 0.000 0.939 154 D HN 0.287 nan 8.370 nan 0.000 0.449 155 S N 0.504 116.019 115.700 -0.309 0.000 2.338 155 S HA -0.132 4.338 4.470 -0.000 0.000 0.218 155 S C 1.914 176.177 174.600 -0.561 0.000 1.032 155 S CA 0.328 58.308 58.200 -0.367 0.000 0.999 155 S CB -0.413 62.564 63.200 -0.373 0.000 0.905 155 S HN 0.155 nan 8.310 nan 0.000 0.439 156 L N 2.243 122.957 121.223 -0.849 0.000 2.051 156 L HA -0.132 4.208 4.340 -0.000 0.000 0.214 156 L C 2.210 178.594 176.870 -0.811 0.000 1.076 156 L CA 1.631 55.793 54.840 -1.129 0.000 0.758 156 L CB -0.893 40.461 42.059 -1.175 0.000 0.890 156 L HN 0.141 nan 8.230 nan 0.000 0.433 157 V N -0.826 118.622 119.914 -0.777 0.000 2.233 157 V HA -0.352 3.768 4.120 -0.000 0.000 0.247 157 V C 2.473 178.368 176.094 -0.333 0.000 1.050 157 V CA 2.385 64.347 62.300 -0.562 0.000 1.010 157 V CB -0.967 30.535 31.823 -0.534 0.000 0.637 157 V HN 0.579 nan 8.190 nan 0.000 0.444 158 T N -0.601 113.781 114.554 -0.287 0.000 2.652 158 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 158 T C 1.920 176.525 174.700 -0.159 0.000 1.039 158 T CA 1.919 63.911 62.100 -0.179 0.000 1.153 158 T CB -0.295 68.487 68.868 -0.144 0.000 0.863 158 T HN 0.541 nan 8.240 nan 0.000 0.428 159 Q N 0.424 120.100 119.800 -0.206 0.000 2.119 159 Q HA 0.108 4.448 4.340 -0.000 0.000 0.201 159 Q C 2.424 178.364 176.000 -0.099 0.000 0.972 159 Q CA 1.239 56.961 55.803 -0.134 0.000 0.847 159 Q CB -0.157 28.511 28.738 -0.118 0.000 0.903 159 Q HN 0.518 nan 8.270 nan 0.000 0.433 160 A N 0.807 123.512 122.820 -0.192 0.000 2.218 160 A HA -0.007 4.313 4.320 -0.000 0.000 0.209 160 A C 0.499 178.077 177.584 -0.009 0.000 1.168 160 A CA 0.230 52.236 52.037 -0.051 0.000 0.804 160 A CB -0.215 18.730 19.000 -0.093 0.000 0.834 160 A HN 0.498 nan 8.150 nan 0.000 0.482 161 N N -0.479 118.182 118.700 -0.066 0.000 2.705 161 N HA -0.166 4.574 4.740 -0.000 0.000 0.255 161 N C -0.114 175.392 175.510 -0.007 0.000 1.008 161 N CA 1.084 54.111 53.050 -0.038 0.000 0.742 161 N CB -1.550 36.931 38.487 -0.010 0.000 0.906 161 N HN 0.768 nan 8.380 nan 0.000 0.541 162 I N -3.420 117.137 120.570 -0.022 0.000 2.982 162 I HA 0.800 4.970 4.170 -0.000 0.000 0.312 162 I C -1.994 174.135 176.117 0.020 0.000 1.041 162 I CA -2.544 58.777 61.300 0.035 0.000 1.053 162 I CB 1.376 39.443 38.000 0.112 0.000 1.248 162 I HN -0.165 nan 8.210 nan 0.000 0.471 163 P HA 0.103 nan 4.420 nan 0.000 0.271 163 P C -0.819 176.565 177.300 0.141 0.000 1.216 163 P CA -0.073 63.080 63.100 0.089 0.000 0.776 163 P CB 0.279 32.041 31.700 0.103 0.000 0.881 164 N N 2.571 121.358 118.700 0.144 0.000 3.193 164 N HA 0.149 4.889 4.740 -0.000 0.000 0.312 164 N C -1.168 174.578 175.510 0.392 0.000 1.261 164 N CA 0.255 53.460 53.050 0.259 0.000 1.208 164 N CB -0.642 37.961 38.487 0.194 0.000 1.471 164 N HN 0.027 nan 8.380 nan 0.000 0.548 165 V N 1.791 121.992 119.914 0.478 0.000 3.147 165 V HA 0.659 4.779 4.120 -0.000 0.000 0.306 165 V C -1.017 175.343 176.094 0.444 0.000 1.209 165 V CA -0.970 61.530 62.300 0.333 0.000 1.023 165 V CB 1.772 33.694 31.823 0.165 0.000 1.059 165 V HN 0.270 nan 8.190 nan 0.000 0.435 166 F N 0.425 120.391 119.950 0.027 0.000 2.672 166 F HA 0.846 5.373 4.527 -0.000 0.000 0.311 166 F C -0.660 175.129 175.800 -0.018 0.000 1.113 166 F CA -0.579 57.400 58.000 -0.034 0.000 0.996 166 F CB 1.343 40.159 39.000 -0.306 0.000 1.286 166 F HN 0.504 nan 8.300 nan 0.000 0.441 167 S N 4.305 120.055 115.700 0.083 0.000 2.599 167 S HA 0.851 5.321 4.470 -0.000 0.000 0.294 167 S C -1.120 173.570 174.600 0.151 0.000 1.094 167 S CA -0.821 57.325 58.200 -0.089 0.000 0.931 167 S CB 2.298 65.284 63.200 -0.357 0.000 1.093 167 S HN 1.108 nan 8.310 nan 0.000 0.488 168 M N 1.681 121.352 119.600 0.119 0.000 2.501 168 M HA 0.466 4.946 4.480 -0.000 0.000 0.293 168 M C -1.972 174.469 176.300 0.234 0.000 1.192 168 M CA -0.283 55.134 55.300 0.195 0.000 0.886 168 M CB 2.302 35.000 32.600 0.163 0.000 1.710 168 M HN 0.957 nan 8.290 nan 0.000 0.457 169 Q N 4.869 124.756 119.800 0.144 0.000 2.269 169 Q HA 0.495 4.835 4.340 -0.000 0.000 0.263 169 Q C -2.045 173.883 176.000 -0.120 0.000 0.983 169 Q CA -0.437 55.407 55.803 0.069 0.000 0.777 169 Q CB 1.962 30.702 28.738 0.003 0.000 1.273 169 Q HN 0.808 nan 8.270 nan 0.000 0.440 170 M N 2.567 122.034 119.600 -0.221 0.000 2.300 170 M HA 0.511 4.991 4.480 -0.000 0.000 0.348 170 M C -0.938 175.281 176.300 -0.135 0.000 1.151 170 M CA -0.676 54.340 55.300 -0.473 0.000 1.046 170 M CB 1.470 33.542 32.600 -0.880 0.000 1.647 170 M HN 0.565 nan 8.290 nan 0.000 0.451 171 c N 2.180 120.801 118.600 0.034 0.000 2.369 171 c HA 0.979 5.549 4.570 -0.000 0.000 0.322 171 c C 0.335 174.538 174.090 0.189 0.000 1.258 171 c CA -0.787 55.594 56.329 0.087 0.000 1.487 171 c CB 0.794 43.333 42.510 0.048 0.000 2.165 171 c HN 1.058 nan 8.230 nan 0.000 0.483 172 G N 1.545 110.427 108.800 0.135 0.000 2.433 172 G HA2 0.790 4.750 3.960 -0.000 0.000 0.306 172 G HA3 0.790 4.750 3.960 -0.000 0.000 0.306 172 G C -1.237 173.718 174.900 0.090 0.000 1.627 172 G CA 0.427 45.606 45.100 0.131 0.000 0.893 172 G HN 1.486 nan 8.290 nan 0.000 0.648 184 G N -0.936 107.903 108.800 0.066 0.000 3.054 184 G HA2 0.778 4.738 3.960 -0.000 0.000 0.201 184 G HA3 0.778 4.738 3.960 -0.000 0.000 0.201 184 G C -0.102 174.923 174.900 0.209 0.000 1.694 184 G CA 0.353 45.530 45.100 0.130 0.000 0.742 184 G HN 0.798 nan 8.290 nan 0.000 0.790 185 G N -1.431 107.439 108.800 0.118 0.000 2.561 185 G HA2 0.523 4.483 3.960 -0.000 0.000 0.310 185 G HA3 0.523 4.483 3.960 -0.000 0.000 0.310 185 G C -1.698 173.208 174.900 0.010 0.000 1.292 185 G CA 0.299 45.415 45.100 0.026 0.000 0.811 185 G HN 1.104 nan 8.290 nan 0.000 0.482 186 S N -0.634 115.064 115.700 -0.003 0.000 2.575 186 S HA 0.540 5.010 4.470 -0.000 0.000 0.278 186 S C -1.386 173.259 174.600 0.075 0.000 1.139 186 S CA -0.446 57.774 58.200 0.034 0.000 0.954 186 S CB 1.827 65.042 63.200 0.024 0.000 1.054 186 S HN 0.996 nan 8.310 nan 0.000 0.483 187 L N 3.893 125.168 121.223 0.088 0.000 2.335 187 L HA 0.524 4.864 4.340 -0.000 0.000 0.268 187 L C -1.119 175.850 176.870 0.166 0.000 1.037 187 L CA -0.463 54.447 54.840 0.116 0.000 0.895 187 L CB 0.596 42.692 42.059 0.061 0.000 1.266 187 L HN 0.517 nan 8.230 nan 0.000 0.439 188 V N 6.310 126.349 119.914 0.209 0.000 2.370 188 V HA 0.168 4.288 4.120 -0.000 0.000 0.257 188 V C 0.470 176.734 176.094 0.283 0.000 1.064 188 V CA -0.198 62.234 62.300 0.219 0.000 0.975 188 V CB 0.400 32.359 31.823 0.227 0.000 1.067 188 V HN 0.515 nan 8.190 nan 0.000 0.485 189 L N 5.224 126.650 121.223 0.338 0.000 2.295 189 L HA 0.598 4.938 4.340 -0.000 0.000 0.288 189 L C 1.209 178.389 176.870 0.515 0.000 1.079 189 L CA 0.317 55.447 54.840 0.485 0.000 0.830 189 L CB 0.546 42.965 42.059 0.599 0.000 1.200 189 L HN 0.886 nan 8.230 nan 0.000 0.438 190 G N 1.992 111.094 108.800 0.504 0.000 2.138 190 G HA2 0.031 3.991 3.960 -0.000 0.000 0.193 190 G HA3 0.031 3.991 3.960 -0.000 0.000 0.193 190 G C 0.138 175.184 174.900 0.242 0.000 0.998 190 G CA -0.307 45.023 45.100 0.383 0.000 0.668 190 G HN 1.148 nan 8.290 nan 0.000 0.516 191 G N -1.193 107.736 108.800 0.215 0.000 2.341 191 G HA2 0.577 4.537 3.960 -0.000 0.000 0.299 191 G HA3 0.577 4.537 3.960 -0.000 0.000 0.299 191 G C -1.572 173.404 174.900 0.126 0.000 1.274 191 G CA -0.357 44.829 45.100 0.144 0.000 0.853 191 G HN 0.814 nan 8.290 nan 0.000 0.493 192 I N 0.563 121.208 120.570 0.125 0.000 2.418 192 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 192 I C -0.774 175.497 176.117 0.256 0.000 1.008 192 I CA -0.722 60.678 61.300 0.168 0.000 1.104 192 I CB 2.125 40.183 38.000 0.097 0.000 1.264 192 I HN 0.446 nan 8.210 nan 0.000 0.438 193 E N 9.863 130.274 120.200 0.352 0.000 2.001 193 E HA 0.260 4.610 4.350 -0.000 0.000 0.279 193 E C -1.826 174.934 176.600 0.267 0.000 1.045 193 E CA -2.561 53.975 56.400 0.227 0.000 0.833 193 E CB 0.895 30.671 29.700 0.127 0.000 1.077 193 E HN 0.255 nan 8.360 nan 0.000 0.397 194 P HA -0.192 nan 4.420 nan 0.000 0.221 194 P C 0.818 178.026 177.300 -0.153 0.000 1.145 194 P CA 1.027 64.177 63.100 0.085 0.000 0.795 194 P CB 0.245 31.954 31.700 0.016 0.000 0.775 195 S N -1.017 114.635 115.700 -0.079 0.000 2.561 195 S HA 0.030 4.500 4.470 -0.000 0.000 0.225 195 S C 1.738 176.250 174.600 -0.148 0.000 0.977 195 S CA 0.135 58.263 58.200 -0.121 0.000 0.926 195 S CB -1.182 61.972 63.200 -0.076 0.000 0.769 195 S HN 0.123 nan 8.310 nan 0.000 0.533 196 L N 0.546 121.669 121.223 -0.166 0.000 2.592 196 L HA 0.347 4.687 4.340 -0.000 0.000 0.227 196 L C 0.000 176.750 176.870 -0.201 0.000 1.127 196 L CA -0.296 54.366 54.840 -0.297 0.000 0.884 196 L CB -0.184 41.467 42.059 -0.680 0.000 1.065 196 L HN 0.611 nan 8.230 nan 0.000 0.457 197 Y N -2.416 117.763 120.300 -0.201 0.000 2.519 197 Y HA 0.620 5.170 4.550 -0.000 0.000 0.336 197 Y C -1.029 174.856 175.900 -0.024 0.000 1.089 197 Y CA -1.768 56.288 58.100 -0.074 0.000 1.025 197 Y CB 0.890 39.399 38.460 0.081 0.000 1.318 197 Y HN -0.238 nan 8.280 nan 0.000 0.452 198 K N 2.368 122.750 120.400 -0.030 0.000 2.208 198 K HA 0.773 5.093 4.320 -0.000 0.000 0.247 198 K C 0.015 176.655 176.600 0.067 0.000 0.953 198 K CA -0.100 56.131 56.287 -0.094 0.000 0.837 198 K CB 1.752 34.215 32.500 -0.063 0.000 1.131 198 K HN 1.385 nan 8.250 nan 0.000 0.431 199 G N 1.817 110.638 108.800 0.034 0.000 2.685 199 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.387 199 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.387 199 G C -1.199 173.792 174.900 0.152 0.000 1.324 199 G CA -0.812 44.347 45.100 0.098 0.000 0.878 199 G HN 0.611 nan 8.290 nan 0.000 0.527 200 D N -0.244 120.211 120.400 0.092 0.000 2.329 200 D HA 0.495 5.134 4.640 -0.000 0.000 0.246 200 D C 0.501 176.751 176.300 -0.083 0.000 1.111 200 D CA 0.341 54.313 54.000 -0.048 0.000 0.941 200 D CB 1.736 42.378 40.800 -0.264 0.000 1.169 200 D HN 0.742 nan 8.370 nan 0.000 0.441 201 I N 0.283 120.682 120.570 -0.286 0.000 2.382 201 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 201 I C -1.327 174.386 176.117 -0.672 0.000 1.002 201 I CA -0.775 60.269 61.300 -0.426 0.000 1.135 201 I CB 0.690 38.336 38.000 -0.589 0.000 1.288 201 I HN 0.203 nan 8.210 nan 0.000 0.448 202 W N 6.042 126.966 121.300 -0.627 0.000 2.376 202 W HA 0.483 5.143 4.660 -0.000 0.000 0.322 202 W C -0.900 175.132 176.519 -0.812 0.000 1.160 202 W CA -0.017 56.826 57.345 -0.837 0.000 1.218 202 W CB 0.692 29.177 29.460 -1.625 0.000 1.205 202 W HN 0.359 nan 8.180 nan 0.000 0.559 203 Y N 0.895 121.125 120.300 -0.116 0.000 2.468 203 Y HA 0.536 5.086 4.550 -0.000 0.000 0.342 203 Y C 0.391 176.485 175.900 0.324 0.000 1.021 203 Y CA -0.922 57.217 58.100 0.066 0.000 1.079 203 Y CB 2.406 40.865 38.460 -0.001 0.000 1.226 203 Y HN 0.206 nan 8.280 nan 0.000 0.460 204 T N 5.018 119.889 114.554 0.528 0.000 2.876 204 T HA 0.449 4.799 4.350 -0.000 0.000 0.289 204 T C -2.981 171.891 174.700 0.288 0.000 1.014 204 T CA -2.522 59.838 62.100 0.434 0.000 0.986 204 T CB 1.279 70.383 68.868 0.392 0.000 1.021 204 T HN 0.314 nan 8.240 nan 0.000 0.458 205 P HA 0.270 nan 4.420 nan 0.000 0.271 205 P C -0.482 176.922 177.300 0.173 0.000 1.216 205 P CA -0.269 62.928 63.100 0.161 0.000 0.776 205 P CB 0.642 32.416 31.700 0.122 0.000 0.881 206 I N 3.922 124.599 120.570 0.178 0.000 2.337 206 I HA 0.067 4.237 4.170 -0.000 0.000 0.291 206 I C 1.769 177.981 176.117 0.158 0.000 1.046 206 I CA -0.433 61.000 61.300 0.222 0.000 1.324 206 I CB 0.607 38.782 38.000 0.292 0.000 1.409 206 I HN 0.262 nan 8.210 nan 0.000 0.494 207 K N 3.844 124.344 120.400 0.167 0.000 1.984 207 K HA -0.037 4.283 4.320 -0.000 0.000 0.209 207 K C 0.491 177.123 176.600 0.054 0.000 1.046 207 K CA 1.459 57.813 56.287 0.111 0.000 0.934 207 K CB 0.013 32.591 32.500 0.131 0.000 0.717 207 K HN 0.481 nan 8.250 nan 0.000 0.438 208 E N 0.658 120.918 120.200 0.100 0.000 2.234 208 E HA 0.132 4.482 4.350 -0.000 0.000 0.266 208 E C -1.480 175.109 176.600 -0.018 0.000 0.877 208 E CA -0.138 56.196 56.400 -0.109 0.000 0.758 208 E CB 1.435 30.892 29.700 -0.406 0.000 1.170 208 E HN -0.008 nan 8.360 nan 0.000 0.415 209 E N 5.151 125.181 120.200 -0.284 0.000 1.932 209 E HA 0.133 4.483 4.350 -0.000 0.000 0.259 209 E C -0.390 176.015 176.600 -0.326 0.000 1.099 209 E CA -0.135 55.880 56.400 -0.642 0.000 0.970 209 E CB 0.250 29.285 29.700 -1.108 0.000 1.143 209 E HN 0.576 nan 8.360 nan 0.000 0.441 210 W N 1.309 122.522 121.300 -0.145 0.000 4.757 210 W HA 0.191 4.850 4.660 -0.000 0.000 0.172 210 W C -0.259 176.219 176.519 -0.069 0.000 3.206 210 W CA -0.250 57.037 57.345 -0.097 0.000 1.735 210 W CB -0.510 28.820 29.460 -0.216 0.000 1.720 210 W HN 0.021 nan 8.180 nan 0.000 0.705 211 Y N 0.505 120.746 120.300 -0.098 0.000 2.408 211 Y HA 0.409 4.959 4.550 -0.000 0.000 0.324 211 Y C -0.267 175.640 175.900 0.012 0.000 1.302 211 Y CA -1.021 56.939 58.100 -0.235 0.000 1.384 211 Y CB 0.160 38.316 38.460 -0.507 0.000 1.367 211 Y HN -0.176 nan 8.280 nan 0.000 0.525 212 Y N 1.254 121.798 120.300 0.406 0.000 2.636 212 Y HA 0.137 4.687 4.550 -0.000 0.000 0.341 212 Y C 0.323 176.422 175.900 0.332 0.000 1.169 212 Y CA -0.302 58.048 58.100 0.418 0.000 1.498 212 Y CB -0.016 38.687 38.460 0.404 0.000 1.362 212 Y HN 0.385 nan 8.280 nan 0.000 0.494 213 Q N 5.037 125.115 119.800 0.463 0.000 2.256 213 Q HA 0.603 4.943 4.340 -0.000 0.000 0.254 213 Q C -0.734 175.447 176.000 0.303 0.000 0.916 213 Q CA -0.611 55.419 55.803 0.378 0.000 0.932 213 Q CB 0.861 29.913 28.738 0.523 0.000 1.207 213 Q HN 0.773 nan 8.270 nan 0.000 0.426 214 I N -0.194 120.512 120.570 0.228 0.000 3.145 214 I HA 0.571 4.741 4.170 -0.000 0.000 0.313 214 I C -1.174 175.016 176.117 0.121 0.000 1.122 214 I CA -1.296 60.110 61.300 0.177 0.000 0.987 214 I CB 2.256 40.361 38.000 0.176 0.000 1.236 214 I HN 0.718 nan 8.210 nan 0.000 0.453 215 E N 3.772 124.022 120.200 0.083 0.000 2.156 215 E HA 0.578 4.928 4.350 -0.000 0.000 0.279 215 E C -1.284 175.316 176.600 0.000 0.000 0.965 215 E CA -0.714 55.720 56.400 0.056 0.000 0.789 215 E CB 1.954 31.688 29.700 0.057 0.000 1.098 215 E HN 0.590 nan 8.360 nan 0.000 0.397 216 I N 4.718 125.292 120.570 0.006 0.000 2.440 216 I HA 0.085 4.255 4.170 -0.000 0.000 0.294 216 I C 0.853 176.969 176.117 -0.001 0.000 0.995 216 I CA -0.534 60.732 61.300 -0.056 0.000 1.306 216 I CB 1.040 38.995 38.000 -0.075 0.000 1.407 216 I HN 0.715 nan 8.210 nan 0.000 0.501 217 L N 4.336 125.523 121.223 -0.060 0.000 2.379 217 L HA 0.255 4.595 4.340 -0.000 0.000 0.190 217 L C 0.727 177.596 176.870 -0.002 0.000 1.111 217 L CA 0.432 55.266 54.840 -0.010 0.000 0.820 217 L CB -0.122 41.898 42.059 -0.064 0.000 1.046 217 L HN 0.516 nan 8.230 nan 0.000 0.485 218 K N 0.100 120.411 120.400 -0.149 0.000 2.346 218 K HA 0.634 4.954 4.320 -0.000 0.000 0.238 218 K C -1.565 174.818 176.600 -0.361 0.000 1.039 218 K CA -0.778 55.377 56.287 -0.220 0.000 0.861 218 K CB 2.738 35.005 32.500 -0.390 0.000 1.278 218 K HN -0.187 nan 8.250 nan 0.000 0.460 219 L N 1.612 122.613 121.223 -0.371 0.000 2.518 219 L HA 0.275 4.615 4.340 -0.000 0.000 0.262 219 L C -1.186 175.599 176.870 -0.141 0.000 0.982 219 L CA -0.003 54.628 54.840 -0.348 0.000 0.873 219 L CB 1.566 43.271 42.059 -0.590 0.000 1.198 219 L HN 0.563 nan 8.230 nan 0.000 0.427 220 E N 3.947 124.111 120.200 -0.061 0.000 2.283 220 E HA 0.620 4.970 4.350 -0.000 0.000 0.271 220 E C -0.952 175.616 176.600 -0.053 0.000 1.031 220 E CA -0.452 55.930 56.400 -0.030 0.000 0.868 220 E CB 1.685 31.410 29.700 0.042 0.000 1.094 220 E HN 0.442 nan 8.360 nan 0.000 0.401 221 I N 1.940 122.489 120.570 -0.035 0.000 2.531 221 I HA 0.246 4.416 4.170 -0.000 0.000 0.283 221 I C 0.367 176.484 176.117 -0.000 0.000 1.083 221 I CA -0.424 60.861 61.300 -0.025 0.000 1.071 221 I CB 1.776 39.753 38.000 -0.038 0.000 1.210 221 I HN 0.842 nan 8.210 nan 0.000 0.450 222 G N 4.043 112.854 108.800 0.020 0.000 2.221 222 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.265 222 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.265 222 G C 1.019 175.925 174.900 0.009 0.000 1.041 222 G CA 0.551 45.666 45.100 0.026 0.000 0.807 222 G HN 1.520 nan 8.290 nan 0.000 0.502 223 G N -1.620 107.182 108.800 0.002 0.000 2.234 223 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.260 223 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.260 223 G C 0.437 175.331 174.900 -0.010 0.000 0.987 223 G CA 1.283 46.383 45.100 -0.001 0.000 0.625 223 G HN 1.728 nan 8.290 nan 0.000 0.532 224 Q N 1.910 121.702 119.800 -0.013 0.000 2.314 224 Q HA 0.600 4.940 4.340 -0.000 0.000 0.257 224 Q C 0.772 176.755 176.000 -0.028 0.000 0.975 224 Q CA 0.348 56.138 55.803 -0.021 0.000 0.933 224 Q CB 0.816 29.544 28.738 -0.018 0.000 1.195 224 Q HN 0.766 nan 8.270 nan 0.000 0.426 225 S N 3.393 119.069 115.700 -0.041 0.000 2.593 225 S HA 0.167 4.637 4.470 -0.000 0.000 0.269 225 S C 0.954 175.543 174.600 -0.018 0.000 1.334 225 S CA -0.585 57.586 58.200 -0.048 0.000 1.015 225 S CB 0.560 63.709 63.200 -0.086 0.000 0.912 225 S HN 0.781 nan 8.310 nan 0.000 0.541 226 L N 0.643 121.876 121.223 0.017 0.000 2.313 226 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 226 L C 0.173 177.068 176.870 0.041 0.000 1.119 226 L CA 0.172 55.041 54.840 0.049 0.000 0.809 226 L CB -0.905 41.234 42.059 0.133 0.000 0.933 226 L HN 0.745 nan 8.230 nan 0.000 0.449 227 N N 1.512 120.233 118.700 0.036 0.000 2.608 227 N HA -0.160 4.580 4.740 -0.000 0.000 0.273 227 N C -0.974 174.526 175.510 -0.017 0.000 1.133 227 N CA 0.824 53.875 53.050 0.001 0.000 0.726 227 N CB -1.138 37.338 38.487 -0.018 0.000 0.890 227 N HN 0.248 nan 8.380 nan 0.000 0.548 228 L N 0.052 121.253 121.223 -0.037 0.000 2.434 228 L HA 0.318 4.658 4.340 -0.000 0.000 0.260 228 L C 0.261 176.994 176.870 -0.228 0.000 0.983 228 L CA -1.035 53.714 54.840 -0.152 0.000 0.820 228 L CB 1.971 43.881 42.059 -0.248 0.000 1.361 228 L HN 0.036 nan 8.230 nan 0.000 0.410 229 D N 0.959 121.234 120.400 -0.209 0.000 2.479 229 D HA -0.055 4.585 4.640 -0.000 0.000 0.257 229 D C 1.341 177.464 176.300 -0.296 0.000 1.230 229 D CA 0.001 53.891 54.000 -0.184 0.000 0.912 229 D CB 0.859 41.576 40.800 -0.138 0.000 1.130 229 D HN 0.670 nan 8.370 nan 0.000 0.515 230 c N 4.298 122.783 118.600 -0.191 0.000 2.397 230 c HA -0.140 4.430 4.570 -0.000 0.000 0.286 230 c C 2.154 176.170 174.090 -0.125 0.000 1.308 230 c CA 0.314 56.568 56.329 -0.125 0.000 1.805 230 c CB -0.876 41.667 42.510 0.054 0.000 1.952 230 c HN 0.677 nan 8.230 nan 0.000 0.518 231 R N 0.731 121.156 120.500 -0.124 0.000 2.189 231 R HA -0.053 4.287 4.340 -0.000 0.000 0.223 231 R C 2.309 178.544 176.300 -0.109 0.000 1.092 231 R CA 1.256 57.312 56.100 -0.072 0.000 0.989 231 R CB -0.262 30.006 30.300 -0.054 0.000 0.876 231 R HN 0.660 nan 8.270 nan 0.000 0.457 232 E N 0.397 120.447 120.200 -0.251 0.000 2.070 232 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 232 E C 1.865 178.370 176.600 -0.159 0.000 1.004 232 E CA 1.577 57.818 56.400 -0.265 0.000 0.805 232 E CB -0.341 29.089 29.700 -0.450 0.000 0.744 232 E HN 0.548 nan 8.360 nan 0.000 0.451 233 Y N 0.535 120.829 120.300 -0.009 0.000 2.421 233 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 233 Y C 1.773 177.672 175.900 -0.002 0.000 1.136 233 Y CA 0.382 58.475 58.100 -0.011 0.000 1.255 233 Y CB 0.023 38.468 38.460 -0.025 0.000 0.991 233 Y HN -0.008 nan 8.280 nan 0.000 0.552 234 N N 0.289 119.067 118.700 0.130 0.000 2.273 234 N HA 0.262 5.002 4.740 -0.000 0.000 0.231 234 N C -0.480 175.075 175.510 0.075 0.000 1.134 234 N CA 0.121 53.232 53.050 0.101 0.000 0.856 234 N CB 0.684 39.228 38.487 0.095 0.000 1.068 234 N HN 0.063 nan 8.380 nan 0.000 0.510 235 A N 1.229 124.081 122.820 0.052 0.000 2.273 235 A HA 0.312 4.632 4.320 -0.000 0.000 0.315 235 A C 0.258 177.867 177.584 0.042 0.000 1.256 235 A CA -0.638 51.425 52.037 0.043 0.000 0.851 235 A CB 0.533 19.542 19.000 0.015 0.000 1.172 235 A HN 0.103 nan 8.150 nan 0.000 0.508 236 D N 1.800 122.233 120.400 0.054 0.000 2.363 236 D HA 0.131 4.771 4.640 -0.000 0.000 0.214 236 D C 0.120 176.504 176.300 0.140 0.000 1.093 236 D CA 0.171 54.226 54.000 0.092 0.000 0.837 236 D CB -0.054 40.810 40.800 0.106 0.000 0.948 236 D HN 0.635 nan 8.370 nan 0.000 0.507 237 K N -1.464 118.995 120.400 0.099 0.000 2.622 237 K HA 0.660 4.980 4.320 -0.000 0.000 0.273 237 K C -2.018 174.609 176.600 0.045 0.000 0.957 237 K CA -1.063 55.294 56.287 0.117 0.000 0.861 237 K CB 1.201 33.767 32.500 0.111 0.000 1.405 237 K HN -0.091 nan 8.250 nan 0.000 0.406 238 A N 3.711 126.576 122.820 0.074 0.000 2.340 238 A HA 0.665 4.985 4.320 -0.000 0.000 0.297 238 A C -0.386 177.236 177.584 0.063 0.000 1.195 238 A CA -0.891 51.174 52.037 0.046 0.000 0.769 238 A CB 0.175 19.213 19.000 0.063 0.000 1.163 238 A HN 0.758 nan 8.150 nan 0.000 0.472 239 I N -0.157 120.419 120.570 0.011 0.000 2.693 239 I HA 0.800 4.970 4.170 -0.000 0.000 0.303 239 I C -0.834 175.350 176.117 0.113 0.000 1.025 239 I CA -1.247 60.094 61.300 0.068 0.000 1.086 239 I CB 2.118 40.081 38.000 -0.063 0.000 1.268 239 I HN 0.151 nan 8.210 nan 0.000 0.440 240 V N 3.077 123.124 119.914 0.222 0.000 2.406 240 V HA 0.302 4.422 4.120 -0.000 0.000 0.272 240 V C -0.718 175.529 176.094 0.255 0.000 1.043 240 V CA 0.230 62.663 62.300 0.222 0.000 0.915 240 V CB 0.819 32.770 31.823 0.215 0.000 0.988 240 V HN 0.821 nan 8.190 nan 0.000 0.466 241 D N 3.030 123.527 120.400 0.162 0.000 2.330 241 D HA 0.185 4.824 4.640 -0.000 0.000 0.249 241 D C 1.106 177.456 176.300 0.084 0.000 1.306 241 D CA 0.095 54.171 54.000 0.126 0.000 0.956 241 D CB 1.593 42.429 40.800 0.061 0.000 1.261 241 D HN 0.433 nan 8.370 nan 0.000 0.544 242 S N 1.464 117.211 115.700 0.078 0.000 2.419 242 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 242 S C 1.944 176.557 174.600 0.020 0.000 1.019 242 S CA 0.991 59.218 58.200 0.046 0.000 0.982 242 S CB -0.295 62.910 63.200 0.008 0.000 0.789 242 S HN 0.432 nan 8.310 nan 0.000 0.490 243 G N 0.265 109.060 108.800 -0.008 0.000 2.848 243 G HA2 0.243 4.203 3.960 -0.000 0.000 0.208 243 G HA3 0.243 4.203 3.960 -0.000 0.000 0.208 243 G C 0.123 174.994 174.900 -0.048 0.000 1.152 243 G CA 0.306 45.370 45.100 -0.061 0.000 0.789 243 G HN 0.501 nan 8.290 nan 0.000 0.531 244 T N -0.052 114.499 114.554 -0.005 0.000 2.815 244 T HA 0.335 4.685 4.350 -0.000 0.000 0.289 244 T C 1.292 176.006 174.700 0.023 0.000 1.000 244 T CA -0.376 61.723 62.100 -0.003 0.000 0.958 244 T CB 1.792 70.654 68.868 -0.009 0.000 0.944 244 T HN -0.041 nan 8.240 nan 0.000 0.442 245 T N 3.689 118.258 114.554 0.025 0.000 2.635 245 T HA -0.001 4.348 4.350 -0.000 0.000 0.267 245 T C 0.937 175.663 174.700 0.044 0.000 1.040 245 T CA 1.367 63.496 62.100 0.048 0.000 1.156 245 T CB -0.181 68.712 68.868 0.041 0.000 0.863 245 T HN 0.354 nan 8.240 nan 0.000 0.430 246 L N 0.388 121.621 121.223 0.017 0.000 2.416 246 L HA 0.540 4.880 4.340 -0.000 0.000 0.263 246 L C -0.326 176.539 176.870 -0.009 0.000 1.065 246 L CA -1.209 53.630 54.840 -0.000 0.000 0.798 246 L CB 0.596 42.642 42.059 -0.022 0.000 1.267 246 L HN 0.103 nan 8.230 nan 0.000 0.467 247 L N 1.834 123.039 121.223 -0.030 0.000 2.268 247 L HA 0.338 4.678 4.340 -0.000 0.000 0.289 247 L C -0.336 176.514 176.870 -0.033 0.000 1.064 247 L CA 0.096 54.917 54.840 -0.030 0.000 0.824 247 L CB 0.036 42.063 42.059 -0.053 0.000 1.202 247 L HN 0.392 nan 8.230 nan 0.000 0.433 248 R N 6.144 126.627 120.500 -0.028 0.000 2.265 248 R HA 0.662 5.002 4.340 -0.000 0.000 0.319 248 R C -1.153 175.143 176.300 -0.006 0.000 1.006 248 R CA -0.598 55.480 56.100 -0.036 0.000 0.880 248 R CB 1.075 31.340 30.300 -0.058 0.000 1.077 248 R HN 0.624 nan 8.270 nan 0.000 0.454 249 L N 4.253 125.495 121.223 0.032 0.000 2.365 249 L HA 0.520 4.860 4.340 -0.000 0.000 0.273 249 L C -2.209 174.704 176.870 0.071 0.000 1.000 249 L CA -2.797 52.093 54.840 0.082 0.000 0.819 249 L CB 2.149 44.309 42.059 0.168 0.000 1.284 249 L HN 0.352 nan 8.230 nan 0.000 0.418 250 P HA -0.036 nan 4.420 nan 0.000 0.265 250 P C 0.117 177.470 177.300 0.088 0.000 1.193 250 P CA 0.019 63.148 63.100 0.047 0.000 0.765 250 P CB 1.239 32.965 31.700 0.043 0.000 0.823 251 Q N 4.626 124.463 119.800 0.062 0.000 2.032 251 Q HA -0.304 4.036 4.340 -0.000 0.000 0.217 251 Q C 2.105 178.197 176.000 0.154 0.000 1.058 251 Q CA 2.908 58.777 55.803 0.109 0.000 0.911 251 Q CB -0.922 27.853 28.738 0.062 0.000 1.045 251 Q HN 0.472 nan 8.270 nan 0.000 0.429 252 K N -1.191 119.262 120.400 0.087 0.000 2.107 252 K HA -0.212 4.108 4.320 -0.000 0.000 0.211 252 K C 1.847 178.494 176.600 0.079 0.000 1.049 252 K CA 1.881 58.205 56.287 0.063 0.000 0.927 252 K CB -0.183 32.328 32.500 0.018 0.000 0.714 252 K HN 0.231 nan 8.250 nan 0.000 0.452 253 V N 0.625 120.605 119.914 0.110 0.000 2.323 253 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 253 V C 1.984 178.169 176.094 0.153 0.000 1.041 253 V CA 1.712 64.097 62.300 0.142 0.000 1.025 253 V CB -0.657 31.291 31.823 0.209 0.000 0.656 253 V HN 0.316 nan 8.190 nan 0.000 0.451 254 F N 1.807 121.779 119.950 0.036 0.000 2.063 254 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 254 F C 2.279 178.088 175.800 0.015 0.000 1.109 254 F CA 2.233 60.255 58.000 0.038 0.000 1.212 254 F CB -0.547 38.486 39.000 0.055 0.000 0.973 254 F HN 0.227 nan 8.300 nan 0.000 0.480 255 D N 0.494 120.937 120.400 0.071 0.000 2.103 255 D HA -0.238 4.402 4.640 -0.000 0.000 0.190 255 D C 2.421 178.630 176.300 -0.152 0.000 0.997 255 D CA 1.778 55.730 54.000 -0.080 0.000 0.833 255 D CB -0.902 39.916 40.800 0.029 0.000 0.961 255 D HN 0.404 nan 8.370 nan 0.000 0.447 256 A N 0.960 123.740 122.820 -0.067 0.000 1.903 256 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 256 A C 2.646 180.157 177.584 -0.121 0.000 1.191 256 A CA 1.972 53.968 52.037 -0.068 0.000 0.638 256 A CB -0.971 18.025 19.000 -0.008 0.000 0.823 256 A HN 0.168 nan 8.150 nan 0.000 0.451 257 V N -0.540 119.291 119.914 -0.139 0.000 2.237 257 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 257 V C 2.581 178.499 176.094 -0.293 0.000 1.046 257 V CA 2.039 64.234 62.300 -0.176 0.000 1.007 257 V CB -0.982 30.750 31.823 -0.150 0.000 0.638 257 V HN 0.386 nan 8.190 nan 0.000 0.445 258 V N 0.061 119.673 119.914 -0.504 0.000 2.252 258 V HA -0.380 3.740 4.120 -0.000 0.000 0.249 258 V C 2.508 178.241 176.094 -0.601 0.000 1.056 258 V CA 2.591 64.427 62.300 -0.774 0.000 1.022 258 V CB -0.726 30.478 31.823 -1.032 0.000 0.641 258 V HN 0.729 nan 8.190 nan 0.000 0.445 259 E N 0.084 120.046 120.200 -0.398 0.000 2.065 259 E HA -0.318 4.032 4.350 -0.000 0.000 0.201 259 E C 2.200 178.685 176.600 -0.193 0.000 1.016 259 E CA 1.849 58.098 56.400 -0.251 0.000 0.818 259 E CB -0.276 29.331 29.700 -0.156 0.000 0.749 259 E HN 0.567 nan 8.360 nan 0.000 0.453 260 A N 0.638 123.359 122.820 -0.165 0.000 1.851 260 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 260 A C 2.486 180.024 177.584 -0.077 0.000 1.195 260 A CA 1.971 53.948 52.037 -0.100 0.000 0.622 260 A CB -1.033 17.919 19.000 -0.080 0.000 0.831 260 A HN 0.245 nan 8.150 nan 0.000 0.444 261 V N 0.014 119.873 119.914 -0.092 0.000 2.453 261 V HA -0.299 3.821 4.120 -0.000 0.000 0.252 261 V C 2.945 179.063 176.094 0.039 0.000 1.068 261 V CA 2.110 64.436 62.300 0.043 0.000 1.070 261 V CB -1.494 30.392 31.823 0.105 0.000 0.664 261 V HN 0.667 nan 8.190 nan 0.000 0.461 262 A N 0.027 122.778 122.820 -0.115 0.000 1.832 262 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 262 A C 2.362 179.940 177.584 -0.011 0.000 1.200 262 A CA 1.709 53.731 52.037 -0.025 0.000 0.610 262 A CB -0.600 18.343 19.000 -0.095 0.000 0.842 262 A HN 0.439 nan 8.150 nan 0.000 0.444 263 R N -0.399 120.078 120.500 -0.038 0.000 2.140 263 R HA -0.212 4.128 4.340 -0.000 0.000 0.250 263 R C 1.841 178.130 176.300 -0.018 0.000 1.150 263 R CA 1.357 57.443 56.100 -0.025 0.000 0.966 263 R CB -0.580 29.702 30.300 -0.031 0.000 0.869 263 R HN 0.489 nan 8.270 nan 0.000 0.445 264 A N 0.487 123.299 122.820 -0.013 0.000 2.268 264 A HA 0.025 4.345 4.320 -0.000 0.000 0.221 264 A C 0.267 177.825 177.584 -0.042 0.000 1.287 264 A CA 0.847 52.877 52.037 -0.011 0.000 0.902 264 A CB -0.093 18.918 19.000 0.018 0.000 0.877 264 A HN 0.354 nan 8.150 nan 0.000 0.487 265 S N -2.744 112.921 115.700 -0.059 0.000 4.266 265 S HA -0.034 4.436 4.470 -0.000 0.000 0.071 265 S C 0.171 174.715 174.600 -0.093 0.000 0.860 265 S CA -0.056 58.079 58.200 -0.109 0.000 0.847 265 S CB -1.752 61.280 63.200 -0.279 0.000 0.824 265 S HN 0.383 nan 8.310 nan 0.000 0.757 266 L N 1.564 122.767 121.223 -0.035 0.000 2.349 266 L HA 0.164 4.504 4.340 -0.000 0.000 0.220 266 L C 1.729 178.592 176.870 -0.013 0.000 1.130 266 L CA 1.582 56.419 54.840 -0.005 0.000 0.791 266 L CB -0.786 41.277 42.059 0.007 0.000 0.918 266 L HN 0.710 nan 8.230 nan 0.000 0.444 267 I N -0.372 120.178 120.570 -0.033 0.000 2.069 267 I HA -0.179 3.991 4.170 -0.000 0.000 0.237 267 I C -0.857 175.231 176.117 -0.048 0.000 1.053 267 I CA 0.674 61.955 61.300 -0.031 0.000 1.311 267 I CB -2.651 35.337 38.000 -0.019 0.000 1.030 267 I HN 0.272 nan 8.210 nan 0.000 0.398 268 P HA -0.016 nan 4.420 nan 0.000 0.269 268 P C -0.436 176.892 177.300 0.047 0.000 1.215 268 P CA 0.055 63.116 63.100 -0.065 0.000 0.780 268 P CB 0.580 32.130 31.700 -0.250 0.000 0.898 269 E N 1.351 121.651 120.200 0.166 0.000 2.070 269 E HA 0.306 4.656 4.350 -0.000 0.000 0.261 269 E C -1.422 175.359 176.600 0.301 0.000 0.926 269 E CA -0.496 56.008 56.400 0.173 0.000 0.760 269 E CB -0.004 29.733 29.700 0.061 0.000 1.133 269 E HN 0.198 nan 8.360 nan 0.000 0.420 270 F N 2.642 122.499 119.950 -0.155 0.000 2.366 270 F HA 0.187 4.714 4.527 -0.000 0.000 0.366 270 F C 0.525 176.163 175.800 -0.271 0.000 1.096 270 F CA -1.053 56.711 58.000 -0.393 0.000 1.060 270 F CB 1.366 39.906 39.000 -0.767 0.000 1.282 270 F HN 0.237 nan 8.300 nan 0.000 0.450 271 S N 1.520 117.181 115.700 -0.065 0.000 2.568 271 S HA 0.008 4.478 4.470 -0.000 0.000 0.282 271 S C 1.272 175.878 174.600 0.010 0.000 1.338 271 S CA -0.353 57.857 58.200 0.017 0.000 1.045 271 S CB 0.647 63.854 63.200 0.012 0.000 0.873 271 S HN 0.667 nan 8.310 nan 0.000 0.516 272 D N 2.289 122.799 120.400 0.184 0.000 2.322 272 D HA -0.143 4.497 4.640 -0.000 0.000 0.210 272 D C 1.670 178.108 176.300 0.230 0.000 0.983 272 D CA 1.414 55.629 54.000 0.358 0.000 0.902 272 D CB -1.088 39.910 40.800 0.329 0.000 0.905 272 D HN 0.734 nan 8.370 nan 0.000 0.483 273 G N 0.178 109.051 108.800 0.122 0.000 2.422 273 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 273 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 273 G C 1.298 176.251 174.900 0.088 0.000 1.140 273 G CA 0.408 45.571 45.100 0.106 0.000 0.775 273 G HN 0.306 nan 8.290 nan 0.000 0.545 274 F N 0.676 120.522 119.950 -0.174 0.000 2.126 274 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 274 F C 2.312 178.031 175.800 -0.134 0.000 1.096 274 F CA 1.370 59.215 58.000 -0.259 0.000 1.255 274 F CB -0.337 38.330 39.000 -0.555 0.000 0.997 274 F HN 0.270 nan 8.300 nan 0.000 0.479 275 W N 0.029 121.331 121.300 0.003 0.000 2.363 275 W HA -0.141 4.519 4.660 -0.000 0.000 0.296 275 W C 2.469 179.131 176.519 0.239 0.000 1.212 275 W CA 1.202 58.480 57.345 -0.112 0.000 1.260 275 W CB -1.108 28.325 29.460 -0.046 0.000 1.131 275 W HN -0.180 nan 8.180 nan 0.000 0.530 276 T N -0.645 114.136 114.554 0.378 0.000 2.962 276 T HA 0.053 4.403 4.350 -0.000 0.000 0.270 276 T C 1.772 176.577 174.700 0.174 0.000 1.088 276 T CA 1.542 63.809 62.100 0.277 0.000 1.127 276 T CB -0.647 68.337 68.868 0.194 0.000 0.883 276 T HN 0.445 nan 8.240 nan 0.000 0.493 277 G N 0.465 109.334 108.800 0.115 0.000 2.175 277 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 277 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 277 G C 1.208 176.137 174.900 0.049 0.000 0.982 277 G CA 0.576 45.713 45.100 0.061 0.000 0.641 277 G HN 0.507 nan 8.290 nan 0.000 0.527 278 S N -0.114 115.622 115.700 0.060 0.000 2.383 278 S HA 0.087 4.557 4.470 -0.000 0.000 0.227 278 S C 1.200 175.828 174.600 0.048 0.000 1.026 278 S CA 1.636 59.868 58.200 0.053 0.000 0.981 278 S CB 0.029 63.265 63.200 0.061 0.000 0.818 278 S HN 0.803 nan 8.310 nan 0.000 0.472 279 Q N -0.597 119.237 119.800 0.056 0.000 2.552 279 Q HA 0.713 5.053 4.340 -0.000 0.000 0.289 279 Q C -1.251 174.815 176.000 0.110 0.000 1.097 279 Q CA -0.679 55.163 55.803 0.065 0.000 0.812 279 Q CB 1.651 30.422 28.738 0.055 0.000 1.460 279 Q HN 0.155 nan 8.270 nan 0.000 0.452 280 L N 0.357 121.646 121.223 0.110 0.000 2.354 280 L HA 0.827 5.167 4.340 -0.000 0.000 0.269 280 L C -0.868 176.052 176.870 0.083 0.000 1.005 280 L CA -1.166 53.775 54.840 0.169 0.000 0.819 280 L CB 1.917 44.039 42.059 0.105 0.000 1.311 280 L HN 0.631 nan 8.230 nan 0.000 0.423 281 A N 1.252 124.095 122.820 0.040 0.000 2.292 281 A HA 0.644 4.964 4.320 -0.000 0.000 0.319 281 A C -0.653 176.924 177.584 -0.012 0.000 1.206 281 A CA -0.355 51.531 52.037 -0.253 0.000 0.835 281 A CB 0.716 19.088 19.000 -1.047 0.000 1.164 281 A HN 0.760 nan 8.150 nan 0.000 0.505 282 c N 2.566 121.160 118.600 -0.010 0.000 2.355 282 c HA 0.518 5.088 4.570 -0.000 0.000 0.332 282 c C -0.105 174.096 174.090 0.185 0.000 1.255 282 c CA -0.779 55.601 56.329 0.085 0.000 1.792 282 c CB 0.134 42.652 42.510 0.015 0.000 2.300 282 c HN 0.840 nan 8.230 nan 0.000 0.515 283 W N 2.252 123.587 121.300 0.059 0.000 2.469 283 W HA 0.271 4.931 4.660 -0.000 0.000 0.320 283 W C 0.129 176.693 176.519 0.076 0.000 1.086 283 W CA -0.168 57.226 57.345 0.082 0.000 1.211 283 W CB 1.805 31.379 29.460 0.190 0.000 1.298 283 W HN 0.696 nan 8.180 nan 0.000 0.525 284 T N 2.930 117.410 114.554 -0.124 0.000 3.086 284 T HA -0.032 4.318 4.350 -0.000 0.000 0.250 284 T C 0.405 175.128 174.700 0.037 0.000 1.074 284 T CA 0.122 62.228 62.100 0.010 0.000 0.988 284 T CB -0.088 68.718 68.868 -0.104 0.000 0.988 284 T HN 0.290 nan 8.240 nan 0.000 0.530 285 N N 0.880 119.538 118.700 -0.070 0.000 2.404 285 N HA 0.130 4.870 4.740 -0.000 0.000 0.297 285 N C 1.209 176.420 175.510 -0.498 0.000 1.163 285 N CA -0.014 52.937 53.050 -0.165 0.000 0.864 285 N CB 2.041 40.514 38.487 -0.023 0.000 1.247 285 N HN 0.077 nan 8.380 nan 0.000 0.510 286 S N 0.450 115.710 115.700 -0.734 0.000 2.481 286 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 286 S C 0.603 175.043 174.600 -0.267 0.000 0.996 286 S CA 0.546 58.286 58.200 -0.767 0.000 0.942 286 S CB -0.026 62.945 63.200 -0.382 0.000 0.768 286 S HN 0.642 nan 8.310 nan 0.000 0.520 287 E N 3.050 123.189 120.200 -0.102 0.000 2.289 287 E HA 0.321 4.671 4.350 -0.000 0.000 0.278 287 E C 0.126 176.620 176.600 -0.176 0.000 1.032 287 E CA -0.117 56.258 56.400 -0.042 0.000 0.854 287 E CB 0.946 30.686 29.700 0.067 0.000 1.046 287 E HN 0.431 nan 8.360 nan 0.000 0.409 288 T N 2.307 116.686 114.554 -0.292 0.000 2.913 288 T HA 0.291 4.641 4.350 -0.000 0.000 0.297 288 T C -1.658 172.633 174.700 -0.681 0.000 1.029 288 T CA -1.400 60.302 62.100 -0.663 0.000 1.104 288 T CB 1.327 69.655 68.868 -0.899 0.000 0.964 288 T HN 0.387 nan 8.240 nan 0.000 0.532 289 P HA 0.127 nan 4.420 nan 0.000 0.255 289 P C 0.581 177.810 177.300 -0.117 0.000 1.427 289 P CA -0.254 62.346 63.100 -0.833 0.000 0.863 289 P CB -0.058 30.749 31.700 -1.489 0.000 1.444 290 W N 1.758 123.020 121.300 -0.064 0.000 2.409 290 W HA -0.074 4.586 4.660 -0.000 0.000 0.299 290 W C 2.258 178.828 176.519 0.084 0.000 1.203 290 W CA 1.434 58.799 57.345 0.034 0.000 1.298 290 W CB -1.836 27.582 29.460 -0.070 0.000 1.127 290 W HN 0.151 nan 8.180 nan 0.000 0.528 291 S N -0.439 115.382 115.700 0.202 0.000 2.488 291 S HA -0.240 4.230 4.470 -0.000 0.000 0.246 291 S C 1.233 175.641 174.600 -0.320 0.000 0.992 291 S CA 1.188 59.326 58.200 -0.104 0.000 0.963 291 S CB -1.132 61.904 63.200 -0.275 0.000 0.754 291 S HN 0.303 nan 8.310 nan 0.000 0.519 292 Y N -0.013 120.240 120.300 -0.079 0.000 2.462 292 Y HA 0.473 5.023 4.550 -0.000 0.000 0.261 292 Y C 0.437 176.088 175.900 -0.413 0.000 1.146 292 Y CA -1.129 56.803 58.100 -0.280 0.000 1.283 292 Y CB -0.122 38.071 38.460 -0.445 0.000 1.090 292 Y HN 0.184 nan 8.280 nan 0.000 0.526 293 F N 2.101 122.100 119.950 0.082 0.000 2.440 293 F HA 0.487 5.014 4.527 -0.000 0.000 0.328 293 F C -1.941 173.924 175.800 0.108 0.000 1.070 293 F CA -2.767 55.297 58.000 0.107 0.000 1.011 293 F CB 0.603 39.662 39.000 0.097 0.000 1.226 293 F HN -0.241 nan 8.300 nan 0.000 0.491 294 P HA 0.249 nan 4.420 nan 0.000 0.278 294 P C -1.357 176.114 177.300 0.286 0.000 1.258 294 P CA -0.674 62.565 63.100 0.231 0.000 0.811 294 P CB 1.287 33.090 31.700 0.172 0.000 1.063 295 K N 0.627 121.128 120.400 0.168 0.000 2.126 295 K HA 0.518 4.838 4.320 -0.000 0.000 0.257 295 K C 0.006 176.668 176.600 0.104 0.000 1.007 295 K CA -0.540 55.839 56.287 0.153 0.000 0.928 295 K CB 0.508 33.049 32.500 0.067 0.000 1.013 295 K HN 0.417 nan 8.250 nan 0.000 0.473 296 I N 1.047 121.655 120.570 0.063 0.000 2.466 296 I HA 0.174 4.344 4.170 -0.000 0.000 0.289 296 I C -0.682 175.389 176.117 -0.077 0.000 1.026 296 I CA -0.455 60.812 61.300 -0.056 0.000 1.078 296 I CB 2.143 40.030 38.000 -0.188 0.000 1.249 296 I HN 0.468 nan 8.210 nan 0.000 0.429 297 S N 6.454 122.081 115.700 -0.123 0.000 2.526 297 S HA 0.686 5.156 4.470 -0.000 0.000 0.293 297 S C -0.543 173.902 174.600 -0.257 0.000 1.092 297 S CA -0.559 57.518 58.200 -0.204 0.000 0.980 297 S CB 2.089 65.134 63.200 -0.258 0.000 1.048 297 S HN 0.352 nan 8.310 nan 0.000 0.483 298 I N 2.632 122.987 120.570 -0.359 0.000 2.436 298 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 298 I C -1.420 174.393 176.117 -0.506 0.000 1.010 298 I CA -0.650 60.428 61.300 -0.370 0.000 1.098 298 I CB 1.279 39.065 38.000 -0.357 0.000 1.266 298 I HN 0.567 nan 8.210 nan 0.000 0.434 299 Y N 6.446 126.474 120.300 -0.454 0.000 2.326 299 Y HA 0.539 5.089 4.550 -0.000 0.000 0.337 299 Y C -0.109 175.478 175.900 -0.523 0.000 1.023 299 Y CA -0.362 57.440 58.100 -0.498 0.000 1.143 299 Y CB 1.119 39.332 38.460 -0.413 0.000 1.183 299 Y HN 0.282 nan 8.280 nan 0.000 0.485 300 L N 3.936 124.765 121.223 -0.656 0.000 2.346 300 L HA 0.558 4.898 4.340 -0.000 0.000 0.274 300 L C 0.042 176.598 176.870 -0.524 0.000 1.007 300 L CA -1.171 53.287 54.840 -0.637 0.000 0.818 300 L CB 1.934 43.453 42.059 -0.900 0.000 1.284 300 L HN 0.526 nan 8.230 nan 0.000 0.424 301 R N 1.914 122.292 120.500 -0.204 0.000 2.489 301 R HA 0.030 4.370 4.340 -0.000 0.000 0.287 301 R C -0.196 176.154 176.300 0.082 0.000 1.053 301 R CA -0.174 55.900 56.100 -0.043 0.000 1.036 301 R CB 0.620 30.930 30.300 0.017 0.000 0.966 301 R HN 0.624 nan 8.270 nan 0.000 0.432 302 D N 2.577 123.102 120.400 0.210 0.000 2.377 302 D HA -0.038 4.602 4.640 -0.000 0.000 0.245 302 D C 0.321 176.786 176.300 0.275 0.000 1.196 302 D CA 0.002 54.248 54.000 0.409 0.000 0.962 302 D CB 0.983 42.069 40.800 0.477 0.000 1.127 302 D HN 0.623 nan 8.370 nan 0.000 0.471 303 E N -0.160 120.204 120.200 0.273 0.000 2.267 303 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 303 E C 0.494 177.173 176.600 0.131 0.000 0.998 303 E CA 0.445 56.948 56.400 0.172 0.000 0.830 303 E CB -0.070 29.710 29.700 0.134 0.000 0.751 303 E HN 0.355 nan 8.360 nan 0.000 0.491 304 N N 0.534 119.325 118.700 0.152 0.000 2.918 304 N HA 0.032 4.772 4.740 -0.000 0.000 0.247 304 N C 0.374 175.952 175.510 0.112 0.000 1.117 304 N CA -0.231 52.889 53.050 0.117 0.000 1.005 304 N CB 0.440 39.000 38.487 0.122 0.000 1.297 304 N HN -0.127 nan 8.380 nan 0.000 0.513 305 S N 1.163 116.916 115.700 0.088 0.000 2.545 305 S HA -0.373 4.097 4.470 -0.000 0.000 0.311 305 S C 1.952 176.595 174.600 0.071 0.000 1.239 305 S CA 2.442 60.685 58.200 0.072 0.000 1.200 305 S CB -0.766 62.465 63.200 0.052 0.000 1.217 305 S HN 0.860 nan 8.310 nan 0.000 0.441 306 S N 1.890 117.631 115.700 0.068 0.000 2.440 306 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 306 S C 0.804 175.453 174.600 0.082 0.000 1.014 306 S CA 0.720 58.958 58.200 0.064 0.000 0.980 306 S CB -0.218 63.016 63.200 0.057 0.000 0.775 306 S HN 0.493 nan 8.310 nan 0.000 0.499 307 R N 0.504 121.073 120.500 0.113 0.000 2.923 307 R HA 0.734 5.074 4.340 -0.000 0.000 0.252 307 R C -0.643 175.755 176.300 0.163 0.000 1.130 307 R CA -0.214 55.975 56.100 0.147 0.000 1.043 307 R CB 1.825 32.237 30.300 0.186 0.000 1.205 307 R HN 0.375 nan 8.270 nan 0.000 0.495 308 S N -0.006 115.807 115.700 0.188 0.000 2.596 308 S HA 0.700 5.170 4.470 -0.000 0.000 0.270 308 S C -1.096 173.606 174.600 0.171 0.000 1.155 308 S CA -1.025 57.254 58.200 0.131 0.000 0.827 308 S CB 1.259 64.506 63.200 0.078 0.000 1.130 308 S HN 0.525 nan 8.310 nan 0.000 0.467 309 F N -0.817 119.077 119.950 -0.092 0.000 2.640 309 F HA 0.924 5.451 4.527 -0.000 0.000 0.324 309 F C -0.527 175.033 175.800 -0.399 0.000 1.077 309 F CA -1.211 56.556 58.000 -0.388 0.000 0.965 309 F CB 1.463 39.880 39.000 -0.971 0.000 1.351 309 F HN 0.986 nan 8.300 nan 0.000 0.487 310 R N 2.299 122.604 120.500 -0.325 0.000 2.621 310 R HA 0.753 5.093 4.340 -0.000 0.000 0.284 310 R C -1.628 174.433 176.300 -0.398 0.000 0.998 310 R CA -0.863 54.820 56.100 -0.695 0.000 0.895 310 R CB 2.130 31.594 30.300 -1.393 0.000 1.195 310 R HN 0.994 nan 8.270 nan 0.000 0.450 311 I N -0.051 120.239 120.570 -0.467 0.000 2.498 311 I HA 0.625 4.795 4.170 -0.000 0.000 0.301 311 I C -0.950 175.075 176.117 -0.153 0.000 0.984 311 I CA -0.713 60.386 61.300 -0.334 0.000 1.204 311 I CB 2.281 39.769 38.000 -0.854 0.000 1.362 311 I HN 0.583 nan 8.210 nan 0.000 0.471 312 T N 6.218 120.878 114.554 0.177 0.000 2.933 312 T HA 0.614 4.964 4.350 -0.000 0.000 0.305 312 T C -0.430 174.384 174.700 0.190 0.000 1.092 312 T CA -0.502 61.660 62.100 0.103 0.000 1.008 312 T CB 1.997 70.871 68.868 0.010 0.000 1.102 312 T HN 0.670 nan 8.240 nan 0.000 0.469 313 I N 0.574 121.217 120.570 0.121 0.000 2.509 313 I HA 0.657 4.827 4.170 -0.000 0.000 0.293 313 I C -0.586 175.590 176.117 0.098 0.000 1.020 313 I CA -1.241 60.119 61.300 0.100 0.000 1.088 313 I CB 1.180 39.270 38.000 0.151 0.000 1.267 313 I HN 0.404 nan 8.210 nan 0.000 0.430 314 L N 5.559 126.784 121.223 0.004 0.000 2.454 314 L HA 0.416 4.756 4.340 -0.000 0.000 0.256 314 L C -1.112 175.693 176.870 -0.110 0.000 1.136 314 L CA -1.665 53.159 54.840 -0.027 0.000 0.804 314 L CB 0.550 42.534 42.059 -0.126 0.000 1.181 314 L HN 0.466 nan 8.230 nan 0.000 0.469 315 P HA -0.193 nan 4.420 nan 0.000 0.220 315 P C 0.891 177.715 177.300 -0.793 0.000 1.144 315 P CA 1.224 63.873 63.100 -0.751 0.000 0.800 315 P CB 0.246 31.697 31.700 -0.416 0.000 0.772 316 Q N -0.449 118.781 119.800 -0.949 0.000 2.291 316 Q HA -0.043 4.297 4.340 -0.000 0.000 0.206 316 Q C 2.186 177.907 176.000 -0.466 0.000 0.976 316 Q CA 1.089 56.158 55.803 -1.222 0.000 0.875 316 Q CB -0.743 27.235 28.738 -1.266 0.000 0.927 316 Q HN 0.342 nan 8.270 nan 0.000 0.450 317 L N -1.216 119.838 121.223 -0.281 0.000 2.477 317 L HA 0.048 4.388 4.340 -0.000 0.000 0.220 317 L C 1.108 178.017 176.870 0.065 0.000 1.106 317 L CA 0.421 55.222 54.840 -0.064 0.000 0.851 317 L CB 0.031 42.084 42.059 -0.008 0.000 0.994 317 L HN 0.383 nan 8.230 nan 0.000 0.462 318 Y N -2.333 117.949 120.300 -0.031 0.000 2.500 318 Y HA 0.439 4.989 4.550 -0.000 0.000 0.246 318 Y C 0.626 176.573 175.900 0.078 0.000 1.146 318 Y CA -0.613 57.476 58.100 -0.017 0.000 1.230 318 Y CB 0.362 38.782 38.460 -0.066 0.000 1.214 318 Y HN -0.157 nan 8.280 nan 0.000 0.526 319 I N 3.561 124.087 120.570 -0.073 0.000 2.778 319 I HA 0.252 4.422 4.170 -0.000 0.000 0.285 319 I C -0.778 175.574 176.117 0.392 0.000 1.236 319 I CA -0.717 60.656 61.300 0.122 0.000 1.089 319 I CB 0.485 38.333 38.000 -0.254 0.000 1.601 319 I HN 0.310 nan 8.210 nan 0.000 0.573 320 Q N 6.069 126.090 119.800 0.369 0.000 2.304 320 Q HA 0.279 4.619 4.340 -0.000 0.000 0.260 320 Q C -2.198 174.057 176.000 0.424 0.000 0.965 320 Q CA -1.394 54.627 55.803 0.363 0.000 0.898 320 Q CB 0.775 29.646 28.738 0.223 0.000 1.196 320 Q HN 0.306 nan 8.270 nan 0.000 0.402 321 P HA 0.202 nan 4.420 nan 0.000 0.282 321 P C -0.921 176.380 177.300 0.003 0.000 1.249 321 P CA -0.177 62.957 63.100 0.056 0.000 0.806 321 P CB 1.122 32.867 31.700 0.076 0.000 0.984 322 M N 1.683 121.219 119.600 -0.107 0.000 2.644 322 M HA 0.341 4.821 4.480 -0.000 0.000 0.304 322 M C 0.249 176.504 176.300 -0.075 0.000 1.215 322 M CA -1.310 53.960 55.300 -0.049 0.000 0.871 322 M CB 1.682 34.267 32.600 -0.026 0.000 1.740 322 M HN 0.342 nan 8.290 nan 0.000 0.464 323 M N 1.740 121.318 119.600 -0.038 0.000 2.226 323 M HA 0.064 4.544 4.480 -0.000 0.000 0.352 323 M C 1.106 177.375 176.300 -0.051 0.000 1.226 323 M CA 1.078 56.356 55.300 -0.036 0.000 0.943 323 M CB 0.175 32.761 32.600 -0.023 0.000 1.805 323 M HN 0.844 nan 8.290 nan 0.000 0.465 324 G N 4.463 113.232 108.800 -0.052 0.000 2.771 324 G HA2 0.224 4.184 3.960 -0.000 0.000 0.214 324 G HA3 0.224 4.184 3.960 -0.000 0.000 0.214 324 G C 0.422 175.294 174.900 -0.048 0.000 1.331 324 G CA 0.952 46.020 45.100 -0.053 0.000 0.812 324 G HN 1.998 nan 8.290 nan 0.000 0.628 325 A N -2.505 120.283 122.820 -0.053 0.000 2.431 325 A HA 0.466 4.786 4.320 -0.000 0.000 0.685 325 A C 1.503 179.060 177.584 -0.045 0.000 0.140 325 A CA 1.147 53.157 52.037 -0.045 0.000 0.038 325 A CB -1.171 17.809 19.000 -0.033 0.000 3.966 325 A HN 2.821 nan 8.150 nan 0.000 0.547 326 G N -0.071 108.701 108.800 -0.047 0.000 2.498 326 G HA2 0.114 4.074 3.960 -0.000 0.000 0.251 326 G HA3 0.114 4.074 3.960 -0.000 0.000 0.251 326 G C 0.552 175.418 174.900 -0.056 0.000 1.170 326 G CA 0.462 45.537 45.100 -0.043 0.000 0.944 326 G HN 2.369 nan 8.290 nan 0.000 0.567 327 L N 2.408 123.606 121.223 -0.042 0.000 2.653 327 L HA 0.426 4.766 4.340 -0.000 0.000 0.231 327 L C 0.713 177.576 176.870 -0.012 0.000 1.153 327 L CA -0.290 54.527 54.840 -0.039 0.000 0.933 327 L CB -0.658 41.388 42.059 -0.022 0.000 1.175 327 L HN 0.480 nan 8.230 nan 0.000 0.473 328 N N -1.337 117.357 118.700 -0.010 0.000 2.473 328 N HA 0.066 4.806 4.740 -0.000 0.000 0.291 328 N C 0.290 175.831 175.510 0.052 0.000 1.083 328 N CA -0.298 52.790 53.050 0.063 0.000 0.951 328 N CB 1.053 39.563 38.487 0.038 0.000 1.164 328 N HN -0.016 nan 8.380 nan 0.000 0.480 329 Y N 0.593 120.908 120.300 0.024 0.000 2.220 329 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 329 Y C 1.112 176.989 175.900 -0.038 0.000 1.129 329 Y CA 1.022 59.131 58.100 0.015 0.000 1.161 329 Y CB 0.401 38.897 38.460 0.060 0.000 0.997 329 Y HN 0.554 nan 8.280 nan 0.000 0.522 330 E N -2.326 117.927 120.200 0.089 0.000 2.427 330 E HA 0.315 4.665 4.350 -0.000 0.000 0.279 330 E C -1.787 174.675 176.600 -0.231 0.000 1.120 330 E CA -0.777 55.545 56.400 -0.130 0.000 0.869 330 E CB 0.985 30.524 29.700 -0.268 0.000 1.393 330 E HN -0.045 nan 8.360 nan 0.000 0.443 331 c N 0.274 118.683 118.600 -0.319 0.000 2.614 331 c HA 0.790 5.359 4.570 -0.000 0.000 0.320 331 c C -1.148 172.732 174.090 -0.350 0.000 1.200 331 c CA -0.526 55.672 56.329 -0.219 0.000 1.700 331 c CB 0.263 42.739 42.510 -0.058 0.000 2.275 331 c HN 0.619 nan 8.230 nan 0.000 0.492 332 Y N 0.687 121.063 120.300 0.127 0.000 2.462 332 Y HA 0.676 5.226 4.550 -0.000 0.000 0.346 332 Y C 0.425 176.535 175.900 0.351 0.000 0.976 332 Y CA -0.857 57.374 58.100 0.218 0.000 1.044 332 Y CB 1.142 39.749 38.460 0.245 0.000 1.230 332 Y HN 0.648 nan 8.280 nan 0.000 0.455 333 R N 1.217 121.988 120.500 0.451 0.000 2.787 333 R HA 0.617 4.956 4.340 -0.000 0.000 0.271 333 R C -1.549 174.921 176.300 0.284 0.000 0.993 333 R CA -0.739 55.540 56.100 0.298 0.000 0.993 333 R CB 1.260 31.657 30.300 0.161 0.000 1.155 333 R HN 0.536 nan 8.270 nan 0.000 0.486 334 F N 1.717 121.490 119.950 -0.295 0.000 2.445 334 F HA 0.365 4.892 4.527 -0.000 0.000 0.359 334 F C 0.901 176.744 175.800 0.071 0.000 1.101 334 F CA -0.809 57.080 58.000 -0.184 0.000 1.177 334 F CB 1.419 40.124 39.000 -0.491 0.000 1.110 334 F HN 0.844 nan 8.300 nan 0.000 0.522 335 G N 7.003 115.728 108.800 -0.124 0.000 3.210 335 G HA2 0.169 4.129 3.960 -0.000 0.000 0.220 335 G HA3 0.169 4.129 3.960 -0.000 0.000 0.220 335 G C 0.197 174.899 174.900 -0.330 0.000 1.200 335 G CA -0.026 44.993 45.100 -0.135 0.000 0.834 335 G HN 0.529 nan 8.290 nan 0.000 0.524 336 I N 0.208 120.322 120.570 -0.760 0.000 2.498 336 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 336 I C -0.546 175.585 176.117 0.023 0.000 1.032 336 I CA -0.736 60.293 61.300 -0.451 0.000 1.073 336 I CB 2.385 40.004 38.000 -0.634 0.000 1.251 336 I HN -0.018 nan 8.210 nan 0.000 0.426 337 S N 7.193 122.905 115.700 0.020 0.000 2.542 337 S HA 0.674 5.144 4.470 -0.000 0.000 0.293 337 S C -2.849 171.470 174.600 -0.469 0.000 1.089 337 S CA -1.650 56.450 58.200 -0.165 0.000 0.961 337 S CB 2.305 65.438 63.200 -0.112 0.000 1.062 337 S HN 0.376 nan 8.310 nan 0.000 0.483 338 P HA 0.289 nan 4.420 nan 0.000 0.284 338 P C -0.949 176.159 177.300 -0.320 0.000 1.253 338 P CA -0.320 62.289 63.100 -0.817 0.000 0.800 338 P CB 1.511 32.579 31.700 -1.054 0.000 0.961 339 S N 1.519 117.120 115.700 -0.165 0.000 2.607 339 S HA 0.450 4.920 4.470 -0.000 0.000 0.303 339 S C 1.048 175.614 174.600 -0.058 0.000 1.086 339 S CA -0.323 57.819 58.200 -0.095 0.000 0.995 339 S CB 1.045 64.205 63.200 -0.067 0.000 1.084 339 S HN 0.372 nan 8.310 nan 0.000 0.507 340 T N 2.083 116.611 114.554 -0.044 0.000 2.814 340 T HA 0.236 4.586 4.350 -0.000 0.000 0.254 340 T C 0.133 174.825 174.700 -0.013 0.000 1.037 340 T CA 0.684 62.771 62.100 -0.023 0.000 1.143 340 T CB -0.286 68.571 68.868 -0.018 0.000 0.866 340 T HN 0.630 nan 8.240 nan 0.000 0.431 341 N N 1.233 119.921 118.700 -0.019 0.000 2.675 341 N HA 0.583 5.323 4.740 -0.000 0.000 0.254 341 N C -1.435 174.056 175.510 -0.033 0.000 1.224 341 N CA 0.068 53.112 53.050 -0.011 0.000 0.777 341 N CB 1.730 40.219 38.487 0.003 0.000 1.256 341 N HN 0.444 nan 8.380 nan 0.000 0.531 342 A N 0.846 123.648 122.820 -0.030 0.000 2.360 342 A HA 0.175 4.495 4.320 -0.000 0.000 0.290 342 A C -2.265 175.294 177.584 -0.040 0.000 0.839 342 A CA -0.805 51.197 52.037 -0.058 0.000 0.632 342 A CB -0.032 18.886 19.000 -0.138 0.000 1.121 342 A HN 0.295 nan 8.150 nan 0.000 0.346 343 L N 2.504 123.710 121.223 -0.028 0.000 2.295 343 L HA 0.704 5.044 4.340 -0.000 0.000 0.281 343 L C -0.796 176.053 176.870 -0.034 0.000 1.018 343 L CA -0.421 54.415 54.840 -0.007 0.000 0.841 343 L CB 1.282 43.361 42.059 0.033 0.000 1.218 343 L HN 0.701 nan 8.230 nan 0.000 0.424 344 V N 6.904 126.792 119.914 -0.043 0.000 2.328 344 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 344 V C 0.546 176.633 176.094 -0.012 0.000 1.021 344 V CA -0.454 61.819 62.300 -0.045 0.000 0.838 344 V CB 1.146 32.927 31.823 -0.069 0.000 0.999 344 V HN 0.550 nan 8.190 nan 0.000 0.447 345 I N 5.426 126.005 120.570 0.015 0.000 2.293 345 I HA 0.300 4.470 4.170 -0.000 0.000 0.299 345 I C 1.253 177.406 176.117 0.059 0.000 1.153 345 I CA 0.422 61.744 61.300 0.037 0.000 1.302 345 I CB 0.217 38.255 38.000 0.064 0.000 1.460 345 I HN 0.733 nan 8.210 nan 0.000 0.552 346 G N 3.273 112.100 108.800 0.045 0.000 2.574 346 G HA2 0.444 4.403 3.960 -0.000 0.000 0.248 346 G HA3 0.444 4.403 3.960 -0.000 0.000 0.248 346 G C 1.083 176.032 174.900 0.081 0.000 1.422 346 G CA 0.215 45.349 45.100 0.057 0.000 1.051 346 G HN 0.564 nan 8.290 nan 0.000 0.560 347 A N -0.913 121.960 122.820 0.089 0.000 1.892 347 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 347 A C 2.595 180.250 177.584 0.119 0.000 1.188 347 A CA 3.418 55.526 52.037 0.119 0.000 0.631 347 A CB -1.518 17.581 19.000 0.164 0.000 0.822 347 A HN 1.228 nan 8.150 nan 0.000 0.447 348 T N -2.080 112.532 114.554 0.097 0.000 2.822 348 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 348 T C 1.559 176.327 174.700 0.113 0.000 1.064 348 T CA 2.163 64.320 62.100 0.095 0.000 1.131 348 T CB -0.398 68.508 68.868 0.064 0.000 0.858 348 T HN 0.115 nan 8.240 nan 0.000 0.483 349 V N 0.327 120.316 119.914 0.125 0.000 2.672 349 V HA 0.231 4.351 4.120 -0.000 0.000 0.242 349 V C 2.644 178.921 176.094 0.304 0.000 1.059 349 V CA 1.247 63.662 62.300 0.192 0.000 1.081 349 V CB -0.325 31.575 31.823 0.129 0.000 0.752 349 V HN 0.447 nan 8.190 nan 0.000 0.472 350 M N -0.297 119.437 119.600 0.224 0.000 2.358 350 M HA -0.183 4.297 4.480 -0.000 0.000 0.264 350 M C 1.974 178.386 176.300 0.187 0.000 1.064 350 M CA 1.461 56.902 55.300 0.235 0.000 1.093 350 M CB -0.338 32.333 32.600 0.119 0.000 1.401 350 M HN 0.309 nan 8.290 nan 0.000 0.440 351 E N -0.005 120.269 120.200 0.123 0.000 2.401 351 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 351 E C 1.689 178.287 176.600 -0.003 0.000 1.023 351 E CA 0.941 57.374 56.400 0.055 0.000 0.859 351 E CB -0.015 29.735 29.700 0.085 0.000 0.780 351 E HN 0.556 nan 8.360 nan 0.000 0.523 352 G N -1.017 107.775 108.800 -0.013 0.000 3.126 352 G HA2 0.152 4.112 3.960 -0.000 0.000 0.224 352 G HA3 0.152 4.112 3.960 -0.000 0.000 0.224 352 G C -0.054 174.395 174.900 -0.751 0.000 1.142 352 G CA -0.206 44.659 45.100 -0.391 0.000 0.759 352 G HN 0.013 nan 8.290 nan 0.000 0.550 353 F N -2.073 117.919 119.950 0.072 0.000 2.706 353 F HA 0.528 5.055 4.527 -0.000 0.000 0.328 353 F C -1.127 174.736 175.800 0.104 0.000 1.123 353 F CA -1.951 56.113 58.000 0.107 0.000 0.978 353 F CB 1.191 40.305 39.000 0.190 0.000 1.404 353 F HN -0.136 nan 8.300 nan 0.000 0.497 354 Y N 2.077 122.458 120.300 0.135 0.000 2.417 354 Y HA 0.667 5.217 4.550 -0.000 0.000 0.336 354 Y C -1.028 174.752 175.900 -0.200 0.000 0.961 354 Y CA -1.801 56.275 58.100 -0.042 0.000 1.215 354 Y CB 0.496 38.924 38.460 -0.053 0.000 1.120 354 Y HN 0.282 nan 8.280 nan 0.000 0.499 355 V N 8.245 127.957 119.914 -0.338 0.000 2.439 355 V HA 0.333 4.453 4.120 -0.000 0.000 0.282 355 V C 0.157 175.663 176.094 -0.979 0.000 1.039 355 V CA -0.634 61.178 62.300 -0.814 0.000 0.913 355 V CB 1.270 32.609 31.823 -0.806 0.000 0.983 355 V HN 0.616 nan 8.190 nan 0.000 0.460 356 I N 5.254 125.162 120.570 -1.103 0.000 2.354 356 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 356 I C -0.840 174.719 176.117 -0.929 0.000 1.007 356 I CA -0.186 60.590 61.300 -0.874 0.000 1.167 356 I CB 1.139 38.749 38.000 -0.651 0.000 1.320 356 I HN 0.483 nan 8.210 nan 0.000 0.458 357 F N 4.294 123.731 119.950 -0.856 0.000 2.451 357 F HA 0.158 4.685 4.527 -0.000 0.000 0.356 357 F C 0.917 176.371 175.800 -0.578 0.000 1.178 357 F CA -0.465 56.959 58.000 -0.961 0.000 1.210 357 F CB 0.126 38.005 39.000 -1.867 0.000 1.504 357 F HN 0.402 nan 8.300 nan 0.000 0.598 358 D N 3.265 123.562 120.400 -0.171 0.000 2.619 358 D HA 0.086 4.726 4.640 -0.000 0.000 0.224 358 D C 1.430 177.781 176.300 0.084 0.000 1.133 358 D CA 0.086 54.065 54.000 -0.034 0.000 1.017 358 D CB 0.197 40.963 40.800 -0.056 0.000 1.077 358 D HN 0.473 nan 8.370 nan 0.000 0.503 359 R N 0.999 121.604 120.500 0.175 0.000 2.127 359 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 359 R C 2.148 178.599 176.300 0.251 0.000 1.134 359 R CA 1.462 57.761 56.100 0.332 0.000 0.975 359 R CB -0.018 30.530 30.300 0.413 0.000 0.865 359 R HN 0.286 nan 8.270 nan 0.000 0.447 360 A N 1.123 124.048 122.820 0.174 0.000 1.877 360 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 360 A C 1.644 179.269 177.584 0.068 0.000 1.186 360 A CA 1.267 53.374 52.037 0.116 0.000 0.620 360 A CB -0.226 18.826 19.000 0.085 0.000 0.822 360 A HN 0.338 nan 8.150 nan 0.000 0.443 361 Q N -1.133 118.683 119.800 0.026 0.000 2.212 361 Q HA 0.212 4.552 4.340 -0.000 0.000 0.213 361 Q C -0.433 175.570 176.000 0.005 0.000 0.874 361 Q CA -0.148 55.643 55.803 -0.020 0.000 0.965 361 Q CB 0.151 28.823 28.738 -0.111 0.000 1.074 361 Q HN 0.576 nan 8.270 nan 0.000 0.473 362 K N 1.951 122.396 120.400 0.076 0.000 3.490 362 K HA -0.251 4.069 4.320 -0.000 0.000 0.273 362 K C -0.993 175.672 176.600 0.109 0.000 0.916 362 K CA 0.609 56.967 56.287 0.117 0.000 0.718 362 K CB -0.751 31.794 32.500 0.076 0.000 1.477 362 K HN 0.479 nan 8.250 nan 0.000 0.452 363 R N -1.987 118.576 120.500 0.105 0.000 2.692 363 R HA 0.594 4.934 4.340 -0.000 0.000 0.269 363 R C -1.413 174.956 176.300 0.115 0.000 1.030 363 R CA -1.295 54.875 56.100 0.116 0.000 0.882 363 R CB 1.437 31.757 30.300 0.033 0.000 1.250 363 R HN -0.053 nan 8.270 nan 0.000 0.465 364 V N 0.781 120.781 119.914 0.144 0.000 2.487 364 V HA 0.720 4.840 4.120 -0.000 0.000 0.298 364 V C 0.073 176.159 176.094 -0.013 0.000 1.028 364 V CA -0.348 61.894 62.300 -0.096 0.000 0.860 364 V CB 1.801 33.511 31.823 -0.189 0.000 0.991 364 V HN 0.938 nan 8.190 nan 0.000 0.427 365 G N 2.865 111.447 108.800 -0.364 0.000 2.453 365 G HA2 0.779 4.739 3.960 -0.000 0.000 0.323 365 G HA3 0.779 4.739 3.960 -0.000 0.000 0.323 365 G C -1.549 172.942 174.900 -0.682 0.000 1.198 365 G CA -0.373 44.340 45.100 -0.645 0.000 0.959 365 G HN 0.345 nan 8.290 nan 0.000 0.482 366 F N 0.042 119.683 119.950 -0.515 0.000 2.577 366 F HA 0.810 5.337 4.527 -0.000 0.000 0.318 366 F C 0.409 176.073 175.800 -0.226 0.000 1.065 366 F CA -0.877 56.922 58.000 -0.334 0.000 0.929 366 F CB 2.753 41.582 39.000 -0.284 0.000 1.237 366 F HN 0.708 nan 8.300 nan 0.000 0.468 367 A N 0.939 123.867 122.820 0.179 0.000 2.520 367 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 367 A C -1.115 176.694 177.584 0.376 0.000 1.051 367 A CA -0.743 51.421 52.037 0.212 0.000 0.690 367 A CB 0.951 19.953 19.000 0.004 0.000 1.281 367 A HN 1.183 nan 8.150 nan 0.000 0.402 368 A N 1.223 124.233 122.820 0.316 0.000 2.561 368 A HA 0.459 4.779 4.320 -0.000 0.000 0.251 368 A C 0.672 178.319 177.584 0.105 0.000 1.062 368 A CA 0.963 53.096 52.037 0.162 0.000 0.761 368 A CB -0.263 18.807 19.000 0.116 0.000 0.986 368 A HN 1.571 nan 8.150 nan 0.000 0.510 369 S N 3.983 119.668 115.700 -0.025 0.000 2.411 369 S HA 0.446 4.916 4.470 -0.000 0.000 0.294 369 S C -1.384 173.175 174.600 -0.068 0.000 1.115 369 S CA -1.536 56.650 58.200 -0.024 0.000 1.071 369 S CB 0.535 63.709 63.200 -0.042 0.000 0.967 369 S HN 0.525 nan 8.310 nan 0.000 0.488 370 P HA -0.132 nan 4.420 nan 0.000 0.214 370 P C 1.763 179.025 177.300 -0.062 0.000 1.163 370 P CA 1.290 64.356 63.100 -0.057 0.000 0.889 370 P CB -0.248 31.417 31.700 -0.059 0.000 0.790 371 c N -1.123 117.439 118.600 -0.063 0.000 2.413 371 c HA 0.160 4.730 4.570 -0.000 0.000 0.292 371 c C 1.909 175.968 174.090 -0.051 0.000 1.435 371 c CA -0.154 56.145 56.329 -0.049 0.000 1.791 371 c CB -2.181 40.303 42.510 -0.044 0.000 1.784 371 c HN 0.191 nan 8.230 nan 0.000 0.548 372 A N 1.302 124.076 122.820 -0.077 0.000 3.117 372 A HA 0.389 4.709 4.320 -0.000 0.000 0.255 372 A C 0.655 178.177 177.584 -0.104 0.000 1.583 372 A CA 0.119 52.096 52.037 -0.099 0.000 1.234 372 A CB -0.604 18.300 19.000 -0.160 0.000 1.076 372 A HN 0.798 nan 8.150 nan 0.000 0.653 373 E N 0.859 121.014 120.200 -0.073 0.000 2.263 373 E HA 0.546 4.896 4.350 -0.000 0.000 0.264 373 E C -1.623 174.943 176.600 -0.057 0.000 0.923 373 E CA -0.629 55.730 56.400 -0.069 0.000 0.802 373 E CB 1.280 30.951 29.700 -0.048 0.000 1.228 373 E HN 0.096 nan 8.360 nan 0.000 0.417 374 I N 2.213 122.749 120.570 -0.057 0.000 2.540 374 I HA 0.252 4.422 4.170 -0.000 0.000 0.280 374 I C -0.121 175.998 176.117 0.003 0.000 1.083 374 I CA 0.034 61.316 61.300 -0.030 0.000 1.080 374 I CB 0.507 38.450 38.000 -0.094 0.000 1.205 374 I HN 0.788 nan 8.210 nan 0.000 0.459 375 A N 4.448 127.283 122.820 0.025 0.000 3.009 375 A HA 0.002 4.322 4.320 -0.000 0.000 0.264 375 A C 1.342 178.935 177.584 0.014 0.000 1.408 375 A CA 1.289 53.346 52.037 0.034 0.000 0.789 375 A CB -1.841 17.193 19.000 0.057 0.000 1.040 375 A HN 2.135 nan 8.150 nan 0.000 0.576 376 G N -2.853 105.948 108.800 0.001 0.000 2.153 376 G HA2 0.227 4.187 3.960 -0.000 0.000 0.252 376 G HA3 0.227 4.187 3.960 -0.000 0.000 0.252 376 G C 0.672 175.562 174.900 -0.016 0.000 0.994 376 G CA 1.321 46.416 45.100 -0.007 0.000 0.698 376 G HN 2.645 nan 8.290 nan 0.000 0.521 377 A N -0.349 122.456 122.820 -0.025 0.000 2.331 377 A HA 0.969 5.289 4.320 -0.000 0.000 0.320 377 A C 0.548 178.094 177.584 -0.064 0.000 1.138 377 A CA 0.584 52.599 52.037 -0.038 0.000 0.790 377 A CB 1.236 20.216 19.000 -0.033 0.000 1.206 377 A HN 2.046 nan 8.150 nan 0.000 0.470 378 A N 1.443 124.225 122.820 -0.064 0.000 2.511 378 A HA 0.398 4.718 4.320 -0.000 0.000 0.242 378 A C 0.754 178.269 177.584 -0.115 0.000 1.069 378 A CA 0.413 52.399 52.037 -0.085 0.000 0.763 378 A CB 0.391 19.350 19.000 -0.067 0.000 1.001 378 A HN 1.752 nan 8.150 nan 0.000 0.498 379 V N 2.138 121.961 119.914 -0.151 0.000 3.528 379 V HA 0.233 4.353 4.120 -0.000 0.000 0.294 379 V C 0.477 176.460 176.094 -0.185 0.000 1.404 379 V CA 1.257 63.447 62.300 -0.184 0.000 1.065 379 V CB -0.334 31.361 31.823 -0.214 0.000 0.904 379 V HN 1.187 nan 8.190 nan 0.000 0.435 380 S N -0.774 114.801 115.700 -0.209 0.000 2.556 380 S HA 0.770 5.240 4.470 -0.000 0.000 0.271 380 S C -1.080 173.421 174.600 -0.165 0.000 1.135 380 S CA -0.801 57.239 58.200 -0.266 0.000 0.858 380 S CB 2.620 65.410 63.200 -0.683 0.000 1.114 380 S HN 0.300 nan 8.310 nan 0.000 0.468 381 E N 0.303 120.489 120.200 -0.024 0.000 2.393 381 E HA 0.725 5.075 4.350 -0.000 0.000 0.273 381 E C -1.456 175.268 176.600 0.207 0.000 0.918 381 E CA -0.839 55.598 56.400 0.061 0.000 0.773 381 E CB 2.702 32.422 29.700 0.035 0.000 1.275 381 E HN 0.666 nan 8.360 nan 0.000 0.451 382 I N 1.303 121.976 120.570 0.172 0.000 2.692 382 I HA 0.475 4.645 4.170 -0.000 0.000 0.293 382 I C -1.703 174.451 176.117 0.062 0.000 1.200 382 I CA -0.106 61.282 61.300 0.146 0.000 1.036 382 I CB 1.493 39.648 38.000 0.260 0.000 1.258 382 I HN 0.723 nan 8.210 nan 0.000 0.421 383 S N 4.418 120.081 115.700 -0.062 0.000 2.587 383 S HA 1.018 5.488 4.470 -0.000 0.000 0.269 383 S C -0.702 173.708 174.600 -0.315 0.000 1.154 383 S CA -0.130 58.021 58.200 -0.082 0.000 0.824 383 S CB 1.798 65.024 63.200 0.044 0.000 1.118 383 S HN 1.332 nan 8.310 nan 0.000 0.462 384 G N 0.372 108.894 108.800 -0.464 0.000 2.320 384 G HA2 0.617 4.577 3.960 -0.000 0.000 0.296 384 G HA3 0.617 4.577 3.960 -0.000 0.000 0.296 384 G C -3.553 171.166 174.900 -0.302 0.000 1.306 384 G CA -0.530 44.129 45.100 -0.735 0.000 0.836 384 G HN 0.778 nan 8.290 nan 0.000 0.517 385 P HA 0.750 nan 4.420 nan 0.000 0.287 385 P C -1.402 175.718 177.300 -0.301 0.000 1.270 385 P CA -0.498 62.500 63.100 -0.171 0.000 0.844 385 P CB 1.552 33.362 31.700 0.184 0.000 1.068 386 F N -0.624 119.337 119.950 0.017 0.000 2.483 386 F HA 0.358 4.885 4.527 -0.000 0.000 0.329 386 F C 1.366 177.184 175.800 0.031 0.000 1.064 386 F CA -0.681 57.344 58.000 0.041 0.000 0.986 386 F CB 1.465 40.524 39.000 0.099 0.000 1.218 386 F HN 0.167 nan 8.300 nan 0.000 0.484 387 S N -0.010 115.806 115.700 0.193 0.000 2.528 387 S HA 0.188 4.658 4.470 -0.000 0.000 0.277 387 S C 0.901 175.543 174.600 0.069 0.000 1.297 387 S CA 0.106 58.368 58.200 0.103 0.000 1.052 387 S CB 0.535 63.775 63.200 0.067 0.000 0.917 387 S HN 0.850 nan 8.310 nan 0.000 0.492 388 T N 1.442 116.027 114.554 0.051 0.000 3.023 388 T HA 0.212 4.561 4.350 -0.000 0.000 0.249 388 T C 0.236 174.940 174.700 0.005 0.000 1.050 388 T CA -0.100 62.009 62.100 0.015 0.000 1.088 388 T CB -0.204 68.679 68.868 0.026 0.000 0.946 388 T HN 0.615 nan 8.240 nan 0.000 0.480 389 E N 3.488 123.699 120.200 0.019 0.000 1.909 389 E HA 0.095 4.445 4.350 -0.000 0.000 0.253 389 E C 0.243 176.845 176.600 0.003 0.000 1.268 389 E CA 0.679 57.087 56.400 0.012 0.000 0.999 389 E CB -0.071 29.641 29.700 0.020 0.000 1.072 389 E HN 0.872 nan 8.360 nan 0.000 0.428 390 D N -0.380 120.015 120.400 -0.008 0.000 1.502 390 D HA -0.091 4.549 4.640 -0.000 0.000 0.842 390 D C -0.023 176.262 176.300 -0.025 0.000 0.381 390 D CA -0.008 53.982 54.000 -0.016 0.000 1.367 390 D CB 0.114 40.903 40.800 -0.020 0.000 0.980 390 D HN 0.112 nan 8.370 nan 0.000 0.382 391 V N 1.412 121.306 119.914 -0.033 0.000 2.808 391 V HA 0.769 4.889 4.120 -0.000 0.000 0.308 391 V C 0.536 176.611 176.094 -0.031 0.000 1.099 391 V CA 0.102 62.379 62.300 -0.038 0.000 0.920 391 V CB 0.957 32.744 31.823 -0.060 0.000 1.014 391 V HN 0.972 nan 8.190 nan 0.000 0.425 392 A N 3.712 126.518 122.820 -0.023 0.000 5.055 392 A HA 0.177 4.497 4.320 -0.000 0.000 0.228 392 A C 0.835 178.415 177.584 -0.007 0.000 2.448 392 A CA 1.109 53.138 52.037 -0.013 0.000 0.709 392 A CB -1.803 17.190 19.000 -0.011 0.000 0.854 392 A HN 2.046 nan 8.150 nan 0.000 0.303 393 S N -1.913 113.787 115.700 0.000 0.000 1.492 393 S HA -0.038 4.432 4.470 -0.000 0.000 0.252 393 S C -0.207 174.399 174.600 0.010 0.000 0.575 393 S CA 1.217 59.420 58.200 0.005 0.000 0.913 393 S CB -0.935 62.266 63.200 0.001 0.000 0.734 393 S HN 2.367 nan 8.310 nan 0.000 0.488 394 N N -0.241 118.465 118.700 0.009 0.000 2.752 394 N HA 0.372 5.112 4.740 -0.000 0.000 0.268 394 N C -0.580 174.939 175.510 0.015 0.000 1.190 394 N CA -0.009 53.050 53.050 0.015 0.000 0.897 394 N CB 0.620 39.115 38.487 0.013 0.000 1.515 394 N HN 0.318 nan 8.380 nan 0.000 0.567 395 c N 1.886 120.500 118.600 0.024 0.000 2.613 395 c HA 0.211 4.781 4.570 -0.000 0.000 0.273 395 c C 0.774 174.886 174.090 0.037 0.000 1.304 395 c CA -0.407 55.939 56.329 0.028 0.000 1.702 395 c CB -1.727 40.812 42.510 0.048 0.000 1.792 395 c HN 0.559 nan 8.230 nan 0.000 0.588 396 V N 0.410 120.347 119.914 0.039 0.000 2.288 396 V HA 0.381 4.501 4.120 -0.000 0.000 0.266 396 V C -2.095 174.019 176.094 0.034 0.000 1.048 396 V CA -2.104 60.226 62.300 0.050 0.000 0.842 396 V CB -0.267 31.594 31.823 0.064 0.000 1.064 396 V HN 0.133 nan 8.190 nan 0.000 0.472 397 P HA 0.296 nan 4.420 nan 0.000 0.266 397 P C 0.002 177.314 177.300 0.020 0.000 1.195 397 P CA 0.465 63.576 63.100 0.018 0.000 0.768 397 P CB 1.286 32.995 31.700 0.014 0.000 0.838 398 A N 0.000 122.825 122.820 0.008 0.000 2.254 398 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 398 A CA 0.000 52.038 52.037 0.001 0.000 0.836 398 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 398 A HN 0.000 nan 8.150 nan 0.000 0.486