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 1w6t_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMSIITDVYA REVLDSRGNP TLEVEVYTES GAFGRGMVPS GXXXGEHEAV DATA SEQUENCE ELRDGDKSRY GGLGTQKAVD NVNNIIAEAI IGYDVRDQQA IDRAMIALDG DATA SEQUENCE TPNKGKLGAN AILGVSIAVA RAAADYLEIP LYSYLGGFNT KVLPTPMMNI DATA SEQUENCE INGGSHSDAP IAFQEFMILP VGAPTFKEAL RYGAEIFHAL KKILKSRGLE DATA SEQUENCE TAVGDEGGFA PRFEGTEDGV ETILAAIEAA GYVPGKDVFL GFDCASSEFY DATA SEQUENCE DXXRKVYDYT KFEGEGAAVR TSAEQIDYLE ELVNKYPIIT IEDGMDENDW DATA SEQUENCE DGWKALTERL GKKVQLVGDD FFVTNTDYLA RGIQEGAANS ILIKVNQIGT DATA SEQUENCE LTETFEAIEM AKEAGYTAVV SHRSGETEDS TIADIAVATN AGQIKTGSLS DATA SEQUENCE RTDRIAKYNQ LLRIEDQLGE VAEYRGLKSF YNLK 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.327 175.328 -0.001 0.000 0.993 0 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 0 H CB 0.000 29.770 29.762 0.013 0.000 1.292 1 M N 1.754 121.453 119.600 0.165 0.000 2.492 1 M HA -0.000 4.480 4.480 0.000 0.000 0.262 1 M C 1.771 178.073 176.300 0.005 0.000 1.090 1 M CA 1.565 56.952 55.300 0.145 0.000 1.110 1 M CB -0.178 32.567 32.600 0.242 0.000 1.407 1 M HN 0.138 nan 8.290 nan 0.000 0.470 2 S N -0.275 115.282 115.700 -0.240 0.000 2.575 2 S HA 0.180 4.650 4.470 0.000 0.000 0.215 2 S C 0.653 175.056 174.600 -0.328 0.000 0.966 2 S CA -0.400 57.388 58.200 -0.687 0.000 0.911 2 S CB -0.186 62.551 63.200 -0.772 0.000 0.780 2 S HN 0.171 nan 8.310 nan 0.000 0.514 3 I N 2.849 123.331 120.570 -0.147 0.000 2.496 3 I HA 0.267 4.437 4.170 0.000 0.000 0.285 3 I C 0.469 176.568 176.117 -0.029 0.000 1.080 3 I CA -1.321 59.937 61.300 -0.071 0.000 1.404 3 I CB 0.178 38.156 38.000 -0.037 0.000 1.403 3 I HN 0.242 nan 8.210 nan 0.000 0.539 4 I N 6.239 126.808 120.570 -0.002 0.000 2.533 4 I HA -0.039 4.131 4.170 0.000 0.000 0.284 4 I C 1.426 177.575 176.117 0.053 0.000 1.109 4 I CA 0.289 61.606 61.300 0.029 0.000 1.412 4 I CB 0.685 38.708 38.000 0.038 0.000 1.396 4 I HN 0.719 nan 8.210 nan 0.000 0.543 5 T N -0.174 114.427 114.554 0.078 0.000 2.990 5 T HA 0.200 4.550 4.350 0.000 0.000 0.249 5 T C 0.110 174.865 174.700 0.091 0.000 1.039 5 T CA -0.154 61.991 62.100 0.074 0.000 1.036 5 T CB 0.271 69.178 68.868 0.065 0.000 0.994 5 T HN 0.528 nan 8.240 nan 0.000 0.489 6 D N -0.168 120.313 120.400 0.134 0.000 2.803 6 D HA 0.541 5.181 4.640 0.000 0.000 0.218 6 D C -1.861 174.539 176.300 0.168 0.000 1.245 6 D CA -0.457 53.637 54.000 0.157 0.000 0.821 6 D CB 2.499 43.409 40.800 0.183 0.000 1.626 6 D HN 0.009 nan 8.370 nan 0.000 0.487 7 V N 3.491 123.498 119.914 0.155 0.000 2.524 7 V HA 0.483 4.603 4.120 0.000 0.000 0.297 7 V C -1.421 174.788 176.094 0.191 0.000 1.035 7 V CA -0.721 61.652 62.300 0.121 0.000 0.867 7 V CB 1.454 33.309 31.823 0.053 0.000 1.004 7 V HN 0.573 nan 8.190 nan 0.000 0.426 8 Y N 3.888 124.217 120.300 0.048 0.000 2.386 8 Y HA 0.808 5.358 4.550 0.000 0.000 0.334 8 Y C -0.235 175.686 175.900 0.036 0.000 1.002 8 Y CA -0.507 57.627 58.100 0.056 0.000 1.068 8 Y CB 1.849 40.369 38.460 0.101 0.000 1.203 8 Y HN 0.787 nan 8.280 nan 0.000 0.443 9 A N 6.531 128.930 122.820 -0.702 0.000 2.337 9 A HA 0.972 5.292 4.320 0.000 0.000 0.331 9 A C -1.106 176.035 177.584 -0.738 0.000 1.137 9 A CA -0.920 50.801 52.037 -0.527 0.000 0.807 9 A CB 1.254 20.082 19.000 -0.287 0.000 1.250 9 A HN 0.894 nan 8.150 nan 0.000 0.468 10 R N 0.747 121.042 120.500 -0.340 0.000 2.774 10 R HA 0.613 4.954 4.340 0.000 0.000 0.272 10 R C -0.884 175.357 176.300 -0.098 0.000 1.000 10 R CA -0.751 55.235 56.100 -0.189 0.000 0.906 10 R CB 1.320 31.606 30.300 -0.023 0.000 1.227 10 R HN 0.656 nan 8.270 nan 0.000 0.468 11 E N 1.773 121.935 120.200 -0.064 0.000 2.289 11 E HA 0.320 4.670 4.350 0.000 0.000 0.278 11 E C -0.461 176.113 176.600 -0.043 0.000 1.032 11 E CA -0.679 55.684 56.400 -0.063 0.000 0.854 11 E CB 1.220 30.889 29.700 -0.051 0.000 1.046 11 E HN 0.483 nan 8.360 nan 0.000 0.409 12 V N 1.428 121.303 119.914 -0.066 0.000 3.105 12 V HA 0.606 4.727 4.120 0.000 0.000 0.311 12 V C -0.800 175.238 176.094 -0.093 0.000 1.287 12 V CA -1.120 61.152 62.300 -0.047 0.000 1.066 12 V CB 1.377 33.189 31.823 -0.017 0.000 1.105 12 V HN 0.590 nan 8.190 nan 0.000 0.462 13 L N 1.446 122.631 121.223 -0.063 0.000 2.333 13 L HA 0.631 4.972 4.340 0.000 0.000 0.269 13 L C -0.644 176.198 176.870 -0.046 0.000 1.010 13 L CA -0.636 54.156 54.840 -0.079 0.000 0.818 13 L CB 1.941 43.980 42.059 -0.034 0.000 1.306 13 L HN 1.038 nan 8.230 nan 0.000 0.430 14 D N -0.606 119.763 120.400 -0.052 0.000 2.466 14 D HA 0.090 4.731 4.640 0.000 0.000 0.262 14 D C 0.937 177.230 176.300 -0.012 0.000 1.177 14 D CA -0.329 53.652 54.000 -0.032 0.000 1.035 14 D CB 0.915 41.691 40.800 -0.040 0.000 1.105 14 D HN 0.471 nan 8.370 nan 0.000 0.551 15 S N -0.879 114.817 115.700 -0.007 0.000 2.474 15 S HA -0.112 4.358 4.470 0.000 0.000 0.235 15 S C 1.348 175.957 174.600 0.014 0.000 0.997 15 S CA 0.341 58.544 58.200 0.005 0.000 0.949 15 S CB -0.395 62.807 63.200 0.002 0.000 0.766 15 S HN 0.507 nan 8.310 nan 0.000 0.517 16 R N 0.613 121.119 120.500 0.011 0.000 2.334 16 R HA 0.275 4.615 4.340 0.000 0.000 0.216 16 R C 1.320 177.639 176.300 0.031 0.000 0.905 16 R CA 0.404 56.517 56.100 0.022 0.000 1.064 16 R CB -0.005 30.307 30.300 0.019 0.000 1.046 16 R HN 0.563 nan 8.270 nan 0.000 0.508 17 G N 1.695 110.511 108.800 0.026 0.000 2.136 17 G HA2 -0.225 3.735 3.960 0.000 0.000 0.242 17 G HA3 -0.225 3.735 3.960 0.000 0.000 0.242 17 G C -0.326 174.600 174.900 0.042 0.000 0.989 17 G CA -0.225 44.905 45.100 0.049 0.000 0.682 17 G HN 0.263 nan 8.290 nan 0.000 0.522 18 N N 0.753 119.442 118.700 -0.019 0.000 2.456 18 N HA 0.531 5.271 4.740 0.000 0.000 0.296 18 N C -2.788 172.604 175.510 -0.195 0.000 1.102 18 N CA -1.551 51.454 53.050 -0.076 0.000 0.924 18 N CB 1.678 40.144 38.487 -0.036 0.000 1.186 18 N HN -0.013 nan 8.380 nan 0.000 0.492 19 P HA 0.101 nan 4.420 nan 0.000 0.269 19 P C -0.020 177.163 177.300 -0.195 0.000 1.209 19 P CA 0.240 63.107 63.100 -0.388 0.000 0.776 19 P CB 0.795 32.187 31.700 -0.513 0.000 0.876 20 T N 1.215 115.675 114.554 -0.156 0.000 2.572 20 T HA 0.747 5.097 4.350 0.000 0.000 0.274 20 T C -1.650 172.992 174.700 -0.096 0.000 0.949 20 T CA -0.489 61.549 62.100 -0.104 0.000 1.126 20 T CB 0.233 69.056 68.868 -0.075 0.000 1.478 20 T HN 0.250 nan 8.240 nan 0.000 0.492 21 L N 0.181 121.358 121.223 -0.076 0.000 2.409 21 L HA 0.946 5.287 4.340 0.000 0.000 0.255 21 L C -1.112 175.720 176.870 -0.062 0.000 1.027 21 L CA -0.863 53.932 54.840 -0.075 0.000 0.834 21 L CB 1.774 43.782 42.059 -0.085 0.000 1.426 21 L HN 0.855 nan 8.230 nan 0.000 0.411 22 E N 0.213 120.376 120.200 -0.062 0.000 2.393 22 E HA 0.833 5.183 4.350 0.000 0.000 0.273 22 E C -1.643 174.916 176.600 -0.068 0.000 0.918 22 E CA -1.125 55.245 56.400 -0.050 0.000 0.773 22 E CB 2.670 32.360 29.700 -0.016 0.000 1.275 22 E HN 0.465 nan 8.360 nan 0.000 0.451 23 V N 0.875 120.749 119.914 -0.066 0.000 2.789 23 V HA 0.373 4.493 4.120 0.000 0.000 0.311 23 V C -0.800 175.251 176.094 -0.072 0.000 1.073 23 V CA -0.834 61.423 62.300 -0.071 0.000 0.921 23 V CB 1.790 33.562 31.823 -0.086 0.000 1.009 23 V HN 0.709 nan 8.190 nan 0.000 0.426 24 E N 2.207 122.405 120.200 -0.004 0.000 2.176 24 E HA 0.658 5.008 4.350 0.000 0.000 0.267 24 E C -1.491 175.056 176.600 -0.089 0.000 0.893 24 E CA -0.569 55.780 56.400 -0.087 0.000 0.761 24 E CB 2.615 32.447 29.700 0.219 0.000 1.133 24 E HN 0.413 nan 8.360 nan 0.000 0.409 25 V N 3.810 123.533 119.914 -0.318 0.000 2.495 25 V HA 0.364 4.484 4.120 0.000 0.000 0.298 25 V C -1.125 174.819 176.094 -0.249 0.000 1.031 25 V CA -0.684 61.507 62.300 -0.183 0.000 0.871 25 V CB 0.830 32.542 31.823 -0.185 0.000 0.988 25 V HN 0.614 nan 8.190 nan 0.000 0.432 26 Y N 1.948 122.273 120.300 0.041 0.000 2.429 26 Y HA 0.605 5.155 4.550 0.000 0.000 0.342 26 Y C 0.793 176.719 175.900 0.043 0.000 1.004 26 Y CA -0.591 57.565 58.100 0.094 0.000 1.075 26 Y CB 2.403 40.943 38.460 0.134 0.000 1.214 26 Y HN 0.734 nan 8.280 nan 0.000 0.455 27 T N -2.070 112.622 114.554 0.230 0.000 2.944 27 T HA 0.214 4.565 4.350 0.000 0.000 0.284 27 T C 0.916 175.702 174.700 0.143 0.000 1.010 27 T CA -0.662 61.508 62.100 0.117 0.000 1.025 27 T CB 1.654 70.549 68.868 0.045 0.000 1.079 27 T HN 0.674 nan 8.240 nan 0.000 0.516 28 E N 1.234 121.486 120.200 0.086 0.000 2.097 28 E HA -0.197 4.153 4.350 0.000 0.000 0.196 28 E C 2.127 178.790 176.600 0.105 0.000 1.000 28 E CA 2.275 58.724 56.400 0.082 0.000 0.804 28 E CB -0.769 28.973 29.700 0.069 0.000 0.740 28 E HN 0.778 nan 8.360 nan 0.000 0.454 29 S N -1.466 114.323 115.700 0.148 0.000 2.507 29 S HA 0.042 4.512 4.470 0.000 0.000 0.235 29 S C 1.706 176.403 174.600 0.162 0.000 0.988 29 S CA 0.872 59.175 58.200 0.171 0.000 0.944 29 S CB -0.360 63.004 63.200 0.274 0.000 0.762 29 S HN 0.684 nan 8.310 nan 0.000 0.526 30 G N 0.458 109.376 108.800 0.197 0.000 2.157 30 G HA2 -0.058 3.902 3.960 0.000 0.000 0.239 30 G HA3 -0.058 3.902 3.960 0.000 0.000 0.239 30 G C 0.244 175.340 174.900 0.326 0.000 0.982 30 G CA -0.057 45.194 45.100 0.251 0.000 0.650 30 G HN 1.294 nan 8.290 nan 0.000 0.527 31 A N -0.342 122.646 122.820 0.280 0.000 2.483 31 A HA 0.665 4.986 4.320 0.000 0.000 0.238 31 A C -0.324 177.381 177.584 0.203 0.000 1.070 31 A CA 0.834 53.009 52.037 0.230 0.000 0.770 31 A CB 0.454 19.599 19.000 0.242 0.000 1.008 31 A HN 1.614 nan 8.150 nan 0.000 0.497 32 F N 0.760 120.650 119.950 -0.101 0.000 2.581 32 F HA 0.638 5.165 4.527 0.000 0.000 0.311 32 F C 0.071 175.727 175.800 -0.241 0.000 1.113 32 F CA 0.046 57.842 58.000 -0.339 0.000 0.935 32 F CB 1.853 40.604 39.000 -0.415 0.000 1.232 32 F HN 0.813 nan 8.300 nan 0.000 0.445 33 G N 4.659 112.724 108.800 -1.224 0.000 2.638 33 G HA2 0.557 4.517 3.960 0.000 0.000 0.302 33 G HA3 0.557 4.517 3.960 0.000 0.000 0.302 33 G C -2.245 171.975 174.900 -1.134 0.000 1.365 33 G CA -1.051 43.497 45.100 -0.921 0.000 0.987 33 G HN 0.840 nan 8.290 nan 0.000 0.495 34 R N 1.063 121.141 120.500 -0.704 0.000 2.437 34 R HA 0.642 4.982 4.340 0.000 0.000 0.310 34 R C -0.339 175.850 176.300 -0.185 0.000 0.955 34 R CA -0.636 55.247 56.100 -0.361 0.000 0.851 34 R CB 1.667 31.907 30.300 -0.101 0.000 1.161 34 R HN 0.660 nan 8.270 nan 0.000 0.446 35 G N 5.275 113.989 108.800 -0.143 0.000 2.533 35 G HA2 0.392 4.352 3.960 0.000 0.000 0.310 35 G HA3 0.392 4.352 3.960 0.000 0.000 0.310 35 G C -0.390 174.472 174.900 -0.062 0.000 1.266 35 G CA -0.690 44.355 45.100 -0.093 0.000 0.967 35 G HN 0.439 nan 8.290 nan 0.000 0.493 36 M N 1.766 121.340 119.600 -0.042 0.000 2.367 36 M HA 0.464 4.944 4.480 0.000 0.000 0.339 36 M C -0.459 175.821 176.300 -0.034 0.000 1.177 36 M CA -0.820 54.461 55.300 -0.033 0.000 1.068 36 M CB 2.249 34.837 32.600 -0.019 0.000 1.602 36 M HN 0.099 nan 8.290 nan 0.000 0.457 37 V N 3.401 123.293 119.914 -0.037 0.000 2.495 37 V HA 0.501 4.621 4.120 0.000 0.000 0.298 37 V C -2.112 173.962 176.094 -0.034 0.000 1.031 37 V CA -1.465 60.814 62.300 -0.036 0.000 0.871 37 V CB 1.836 33.633 31.823 -0.042 0.000 0.988 37 V HN 0.690 nan 8.190 nan 0.000 0.432 38 P HA 0.258 nan 4.420 nan 0.000 0.279 38 P C -0.301 176.978 177.300 -0.034 0.000 1.276 38 P CA -0.367 62.715 63.100 -0.030 0.000 0.801 38 P CB 0.839 32.525 31.700 -0.024 0.000 1.127 39 S N -1.019 114.659 115.700 -0.037 0.000 2.568 39 S HA 0.537 5.007 4.470 0.000 0.000 0.282 39 S C 0.520 175.103 174.600 -0.028 0.000 1.338 39 S CA 0.436 58.615 58.200 -0.034 0.000 1.045 39 S CB -0.525 62.656 63.200 -0.031 0.000 0.873 39 S HN 0.927 nan 8.310 nan 0.000 0.516 45 E N -0.371 119.782 120.200 -0.079 0.000 2.478 45 E HA 0.053 4.403 4.350 0.000 0.000 0.194 45 E C 0.104 176.349 176.600 -0.592 0.000 1.045 45 E CA 0.591 56.805 56.400 -0.310 0.000 0.868 45 E CB 0.396 29.860 29.700 -0.394 0.000 0.885 45 E HN 0.612 nan 8.360 nan 0.000 0.505 46 H N 0.443 119.496 119.070 -0.028 0.000 2.587 46 H HA 0.216 4.772 4.556 0.000 0.000 0.245 46 H C -0.076 175.180 175.328 -0.120 0.000 1.238 46 H CA -0.330 55.691 56.048 -0.044 0.000 0.963 46 H CB 0.312 30.090 29.762 0.026 0.000 1.904 46 H HN 0.124 nan 8.280 nan 0.000 0.584 47 E N -0.367 119.809 120.200 -0.041 0.000 2.456 47 E HA 0.777 5.127 4.350 0.000 0.000 0.276 47 E C -0.969 175.609 176.600 -0.036 0.000 0.981 47 E CA -1.710 54.662 56.400 -0.047 0.000 0.814 47 E CB 1.465 31.129 29.700 -0.060 0.000 1.382 47 E HN 0.105 nan 8.360 nan 0.000 0.459 48 A N 0.791 123.593 122.820 -0.030 0.000 2.354 48 A HA 0.456 4.776 4.320 0.000 0.000 0.269 48 A C 0.145 177.713 177.584 -0.028 0.000 1.109 48 A CA -0.354 51.668 52.037 -0.026 0.000 0.800 48 A CB 0.671 19.658 19.000 -0.022 0.000 1.045 48 A HN 0.729 nan 8.150 nan 0.000 0.489 49 V N 2.051 121.948 119.914 -0.028 0.000 2.427 49 V HA 0.566 4.687 4.120 0.000 0.000 0.286 49 V C 0.053 176.132 176.094 -0.026 0.000 1.034 49 V CA -0.554 61.730 62.300 -0.027 0.000 0.893 49 V CB 1.034 32.839 31.823 -0.029 0.000 0.982 49 V HN 1.023 nan 8.190 nan 0.000 0.452 50 E N 5.035 125.220 120.200 -0.025 0.000 2.354 50 E HA 0.406 4.756 4.350 0.000 0.000 0.269 50 E C -0.783 175.802 176.600 -0.025 0.000 1.036 50 E CA -0.801 55.583 56.400 -0.027 0.000 0.876 50 E CB 1.642 31.326 29.700 -0.028 0.000 1.009 50 E HN 0.699 nan 8.360 nan 0.000 0.416 51 L N 3.365 124.571 121.223 -0.027 0.000 2.264 51 L HA 0.330 4.670 4.340 0.000 0.000 0.289 51 L C -0.654 176.201 176.870 -0.025 0.000 1.044 51 L CA -0.271 54.554 54.840 -0.024 0.000 0.807 51 L CB 0.691 42.735 42.059 -0.025 0.000 1.192 51 L HN 0.517 nan 8.230 nan 0.000 0.425 52 R N 3.118 123.607 120.500 -0.018 0.000 2.732 52 R HA 0.301 4.641 4.340 0.000 0.000 0.278 52 R C 0.114 176.411 176.300 -0.005 0.000 0.976 52 R CA -0.725 55.367 56.100 -0.014 0.000 0.963 52 R CB 1.397 31.692 30.300 -0.009 0.000 1.150 52 R HN 0.600 nan 8.270 nan 0.000 0.478 53 D N 0.636 121.036 120.400 0.001 0.000 2.144 53 D HA -0.019 4.621 4.640 0.000 0.000 0.200 53 D C 1.104 177.412 176.300 0.014 0.000 0.978 53 D CA 1.553 55.559 54.000 0.010 0.000 0.833 53 D CB 0.067 40.880 40.800 0.020 0.000 0.961 53 D HN 0.907 nan 8.370 nan 0.000 0.470 54 G N 1.241 110.052 108.800 0.018 0.000 2.153 54 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 54 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 54 G C -0.120 174.794 174.900 0.023 0.000 0.994 54 G CA 0.351 45.462 45.100 0.019 0.000 0.698 54 G HN 0.371 nan 8.290 nan 0.000 0.521 55 D N 0.231 120.649 120.400 0.031 0.000 2.411 55 D HA 0.379 5.020 4.640 0.000 0.000 0.225 55 D C 1.486 177.808 176.300 0.036 0.000 1.156 55 D CA -0.485 53.534 54.000 0.031 0.000 0.874 55 D CB 0.407 41.228 40.800 0.035 0.000 1.034 55 D HN 0.295 nan 8.370 nan 0.000 0.502 56 K N 1.039 121.455 120.400 0.026 0.000 2.209 56 K HA -0.114 4.206 4.320 0.000 0.000 0.204 56 K C 1.818 178.428 176.600 0.016 0.000 1.048 56 K CA 1.096 57.397 56.287 0.023 0.000 0.940 56 K CB 0.129 32.639 32.500 0.016 0.000 0.729 56 K HN 0.421 nan 8.250 nan 0.000 0.451 57 S N 0.577 116.284 115.700 0.012 0.000 2.507 57 S HA -0.061 4.409 4.470 0.000 0.000 0.235 57 S C 0.587 175.180 174.600 -0.012 0.000 0.988 57 S CA 0.284 58.483 58.200 -0.002 0.000 0.944 57 S CB -0.046 63.153 63.200 -0.001 0.000 0.762 57 S HN 0.147 nan 8.310 nan 0.000 0.526 58 R N -0.290 120.219 120.500 0.015 0.000 2.476 58 R HA 0.384 4.724 4.340 0.000 0.000 0.305 58 R C -1.228 175.146 176.300 0.122 0.000 0.965 58 R CA -0.858 55.255 56.100 0.021 0.000 0.867 58 R CB 0.660 31.023 30.300 0.105 0.000 1.176 58 R HN 0.170 nan 8.270 nan 0.000 0.447 59 Y N 1.346 121.650 120.300 0.006 0.000 3.491 59 Y HA -0.273 4.277 4.550 0.000 0.000 0.215 59 Y C 1.254 177.157 175.900 0.005 0.000 1.219 59 Y CA 1.437 59.540 58.100 0.006 0.000 1.485 59 Y CB -1.647 36.816 38.460 0.005 0.000 1.450 59 Y HN 1.179 nan 8.280 nan 0.000 0.603 60 G N -0.993 107.869 108.800 0.104 0.000 2.283 60 G HA2 0.065 4.026 3.960 0.000 0.000 0.280 60 G HA3 0.065 4.026 3.960 0.000 0.000 0.280 60 G C 1.375 176.315 174.900 0.067 0.000 1.029 60 G CA 1.212 46.353 45.100 0.069 0.000 0.840 60 G HN 2.076 nan 8.290 nan 0.000 0.505 61 G N -1.790 107.055 108.800 0.075 0.000 2.179 61 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 61 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 61 G C 0.876 175.809 174.900 0.055 0.000 0.977 61 G CA 0.697 45.831 45.100 0.057 0.000 0.641 61 G HN 1.339 nan 8.290 nan 0.000 0.533 62 L N 1.307 122.576 121.223 0.076 0.000 2.685 62 L HA 0.394 4.734 4.340 0.000 0.000 0.233 62 L C 1.823 178.687 176.870 -0.010 0.000 1.173 62 L CA 0.007 54.866 54.840 0.031 0.000 0.961 62 L CB -0.046 42.030 42.059 0.028 0.000 1.217 62 L HN 0.313 nan 8.230 nan 0.000 0.478 63 G N 0.155 108.975 108.800 0.034 0.000 2.594 63 G HA2 0.215 4.175 3.960 0.000 0.000 0.243 63 G HA3 0.215 4.175 3.960 0.000 0.000 0.243 63 G C 0.763 175.641 174.900 -0.036 0.000 1.229 63 G CA 0.201 45.298 45.100 -0.005 0.000 0.843 63 G HN 0.279 nan 8.290 nan 0.000 0.578 64 T N -1.892 112.626 114.554 -0.061 0.000 3.228 64 T HA 0.164 4.514 4.350 0.000 0.000 0.278 64 T C 1.357 176.029 174.700 -0.046 0.000 1.014 64 T CA -0.195 61.870 62.100 -0.057 0.000 0.904 64 T CB 0.700 69.520 68.868 -0.080 0.000 1.110 64 T HN 0.373 nan 8.240 nan 0.000 0.541 65 Q N 2.234 122.019 119.800 -0.024 0.000 2.167 65 Q HA 0.083 4.423 4.340 0.000 0.000 0.202 65 Q C 2.048 178.035 176.000 -0.022 0.000 0.970 65 Q CA 1.595 57.386 55.803 -0.019 0.000 0.855 65 Q CB -0.191 28.551 28.738 0.006 0.000 0.911 65 Q HN 0.573 nan 8.270 nan 0.000 0.438 66 K N -0.563 119.827 120.400 -0.017 0.000 2.057 66 K HA -0.095 4.225 4.320 0.000 0.000 0.207 66 K C 2.014 178.597 176.600 -0.028 0.000 1.049 66 K CA 1.173 57.449 56.287 -0.017 0.000 0.931 66 K CB -0.266 32.227 32.500 -0.012 0.000 0.714 66 K HN 0.263 nan 8.250 nan 0.000 0.440 67 A N 1.007 123.806 122.820 -0.036 0.000 1.902 67 A HA -0.130 4.190 4.320 0.000 0.000 0.217 67 A C 2.375 179.923 177.584 -0.060 0.000 1.181 67 A CA 1.439 53.449 52.037 -0.045 0.000 0.623 67 A CB -0.701 18.270 19.000 -0.049 0.000 0.818 67 A HN 0.076 nan 8.150 nan 0.000 0.443 68 V N 0.719 120.590 119.914 -0.072 0.000 2.343 68 V HA -0.254 3.867 4.120 0.000 0.000 0.247 68 V C 2.141 178.180 176.094 -0.091 0.000 1.051 68 V CA 2.352 64.590 62.300 -0.104 0.000 1.036 68 V CB -0.792 30.961 31.823 -0.117 0.000 0.654 68 V HN 0.510 nan 8.190 nan 0.000 0.451 69 D N 0.034 120.400 120.400 -0.055 0.000 2.144 69 D HA -0.126 4.514 4.640 0.000 0.000 0.199 69 D C 2.043 178.326 176.300 -0.029 0.000 0.984 69 D CA 0.956 54.936 54.000 -0.034 0.000 0.834 69 D CB -0.398 40.392 40.800 -0.016 0.000 0.955 69 D HN 0.387 nan 8.370 nan 0.000 0.465 70 N N 0.335 119.015 118.700 -0.032 0.000 2.166 70 N HA -0.104 4.636 4.740 0.000 0.000 0.186 70 N C 2.034 177.525 175.510 -0.031 0.000 1.019 70 N CA 0.437 53.471 53.050 -0.027 0.000 0.856 70 N CB -0.372 38.098 38.487 -0.028 0.000 0.993 70 N HN 0.098 nan 8.380 nan 0.000 0.426 71 V N 1.963 121.848 119.914 -0.049 0.000 2.261 71 V HA -0.175 3.946 4.120 0.000 0.000 0.246 71 V C 1.833 177.906 176.094 -0.034 0.000 1.047 71 V CA 1.459 63.727 62.300 -0.053 0.000 1.015 71 V CB -0.455 31.316 31.823 -0.086 0.000 0.642 71 V HN 0.306 nan 8.190 nan 0.000 0.446 72 N N 0.632 119.306 118.700 -0.042 0.000 2.270 72 N HA -0.073 4.668 4.740 0.000 0.000 0.181 72 N C 1.398 176.924 175.510 0.028 0.000 1.016 72 N CA 1.110 54.161 53.050 0.002 0.000 0.870 72 N CB -0.289 38.196 38.487 -0.004 0.000 0.979 72 N HN 0.501 nan 8.380 nan 0.000 0.431 73 N N -0.360 118.347 118.700 0.012 0.000 2.250 73 N HA 0.251 4.991 4.740 0.000 0.000 0.190 73 N C 1.310 176.828 175.510 0.014 0.000 1.116 73 N CA 0.122 53.183 53.050 0.018 0.000 0.881 73 N CB 1.224 39.719 38.487 0.014 0.000 1.006 73 N HN 0.262 nan 8.380 nan 0.000 0.491 74 I N -0.431 120.143 120.570 0.007 0.000 3.650 74 I HA 0.171 4.341 4.170 0.000 0.000 0.261 74 I C 1.557 177.678 176.117 0.007 0.000 1.154 74 I CA 0.072 61.376 61.300 0.006 0.000 1.418 74 I CB 0.387 38.386 38.000 -0.001 0.000 1.539 74 I HN -0.168 nan 8.210 nan 0.000 0.449 75 I N 1.642 122.211 120.570 -0.003 0.000 2.252 75 I HA -0.213 3.958 4.170 0.000 0.000 0.245 75 I C 2.870 178.992 176.117 0.008 0.000 1.102 75 I CA 1.350 62.645 61.300 -0.007 0.000 1.385 75 I CB -0.407 37.577 38.000 -0.027 0.000 1.064 75 I HN 0.194 nan 8.210 nan 0.000 0.414 76 A N 0.685 123.514 122.820 0.016 0.000 1.884 76 A HA -0.339 3.981 4.320 0.000 0.000 0.219 76 A C 2.305 179.918 177.584 0.048 0.000 1.197 76 A CA 2.438 54.498 52.037 0.038 0.000 0.637 76 A CB -0.874 18.158 19.000 0.054 0.000 0.827 76 A HN 0.516 nan 8.150 nan 0.000 0.450 77 E N -0.564 119.662 120.200 0.043 0.000 2.153 77 E HA -0.087 4.263 4.350 0.000 0.000 0.194 77 E C 2.035 178.669 176.600 0.056 0.000 0.988 77 E CA 0.917 57.344 56.400 0.045 0.000 0.811 77 E CB -0.234 29.486 29.700 0.035 0.000 0.746 77 E HN 0.582 nan 8.360 nan 0.000 0.466 78 A N 0.517 123.372 122.820 0.059 0.000 1.968 78 A HA -0.083 4.237 4.320 0.000 0.000 0.217 78 A C 1.921 179.608 177.584 0.170 0.000 1.169 78 A CA 0.842 52.933 52.037 0.090 0.000 0.638 78 A CB -0.028 19.008 19.000 0.060 0.000 0.812 78 A HN 0.284 nan 8.150 nan 0.000 0.446 79 I N -0.535 120.110 120.570 0.125 0.000 3.526 79 I HA 0.213 4.383 4.170 0.000 0.000 0.294 79 I C 0.693 176.941 176.117 0.217 0.000 1.229 79 I CA -0.014 61.378 61.300 0.154 0.000 1.408 79 I CB -0.650 37.328 38.000 -0.036 0.000 1.127 79 I HN 0.144 nan 8.210 nan 0.000 0.439 80 I N 1.619 122.265 120.570 0.126 0.000 2.752 80 I HA 0.113 4.283 4.170 0.000 0.000 0.289 80 I C 1.477 177.650 176.117 0.093 0.000 1.197 80 I CA 1.299 62.657 61.300 0.096 0.000 1.432 80 I CB 0.234 38.275 38.000 0.069 0.000 1.359 80 I HN 0.481 nan 8.210 nan 0.000 0.571 81 G N 4.293 113.133 108.800 0.065 0.000 2.259 81 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 81 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 81 G C 0.055 174.938 174.900 -0.029 0.000 1.001 81 G CA -0.607 44.492 45.100 -0.000 0.000 0.627 81 G HN 0.482 nan 8.290 nan 0.000 0.501 82 Y N 2.049 122.325 120.300 -0.039 0.000 2.379 82 Y HA 0.432 4.982 4.550 0.000 0.000 0.337 82 Y C 0.962 176.820 175.900 -0.071 0.000 1.238 82 Y CA 0.018 58.088 58.100 -0.050 0.000 1.405 82 Y CB 0.565 38.998 38.460 -0.044 0.000 1.310 82 Y HN 0.144 nan 8.280 nan 0.000 0.569 83 D N 1.578 122.029 120.400 0.085 0.000 2.425 83 D HA -0.064 4.577 4.640 0.000 0.000 0.247 83 D C 0.964 177.260 176.300 -0.005 0.000 1.147 83 D CA 0.221 54.215 54.000 -0.011 0.000 0.879 83 D CB 1.498 42.281 40.800 -0.028 0.000 1.179 83 D HN 0.531 nan 8.370 nan 0.000 0.456 84 V N 5.419 125.272 119.914 -0.102 0.000 2.568 84 V HA -0.217 3.903 4.120 0.000 0.000 0.253 84 V C 2.144 178.192 176.094 -0.077 0.000 1.072 84 V CA 1.749 63.983 62.300 -0.111 0.000 1.084 84 V CB -0.302 31.408 31.823 -0.187 0.000 0.676 84 V HN 0.520 nan 8.190 nan 0.000 0.469 85 R N -0.225 120.250 120.500 -0.043 0.000 2.299 85 R HA 0.025 4.365 4.340 0.000 0.000 0.197 85 R C 0.302 176.659 176.300 0.094 0.000 0.971 85 R CA 0.471 56.619 56.100 0.081 0.000 1.030 85 R CB -0.054 30.309 30.300 0.105 0.000 0.932 85 R HN 0.440 nan 8.270 nan 0.000 0.477 86 D N 1.057 121.487 120.400 0.050 0.000 2.994 86 D HA -0.026 4.614 4.640 0.000 0.000 0.240 86 D C 0.989 177.283 176.300 -0.011 0.000 1.195 86 D CA 0.213 54.241 54.000 0.046 0.000 0.957 86 D CB 0.782 41.656 40.800 0.123 0.000 1.105 86 D HN 0.040 nan 8.370 nan 0.000 0.477 87 Q N 0.748 120.545 119.800 -0.004 0.000 2.030 87 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 87 Q C 1.660 177.607 176.000 -0.088 0.000 0.986 87 Q CA 1.777 57.552 55.803 -0.047 0.000 0.843 87 Q CB 0.109 28.828 28.738 -0.032 0.000 0.904 87 Q HN 0.408 nan 8.270 nan 0.000 0.420 88 Q N -0.729 119.025 119.800 -0.078 0.000 2.061 88 Q HA -0.161 4.180 4.340 0.000 0.000 0.204 88 Q C 2.099 178.057 176.000 -0.070 0.000 0.984 88 Q CA 1.423 57.182 55.803 -0.074 0.000 0.846 88 Q CB -0.346 28.357 28.738 -0.060 0.000 0.902 88 Q HN 0.525 nan 8.270 nan 0.000 0.421 89 A N 0.878 123.668 122.820 -0.051 0.000 1.933 89 A HA -0.174 4.146 4.320 0.000 0.000 0.218 89 A C 2.038 179.510 177.584 -0.186 0.000 1.175 89 A CA 1.151 53.170 52.037 -0.029 0.000 0.628 89 A CB -0.588 18.481 19.000 0.115 0.000 0.814 89 A HN 0.295 nan 8.150 nan 0.000 0.444 90 I N -0.352 120.024 120.570 -0.324 0.000 2.202 90 I HA -0.216 3.954 4.170 0.000 0.000 0.242 90 I C 1.986 177.945 176.117 -0.264 0.000 1.091 90 I CA 1.432 62.442 61.300 -0.483 0.000 1.368 90 I CB -0.464 37.285 38.000 -0.420 0.000 1.058 90 I HN 0.234 nan 8.210 nan 0.000 0.410 91 D N 0.741 121.039 120.400 -0.170 0.000 2.116 91 D HA -0.168 4.472 4.640 0.000 0.000 0.193 91 D C 2.332 178.578 176.300 -0.090 0.000 0.998 91 D CA 1.147 55.079 54.000 -0.113 0.000 0.836 91 D CB -0.257 40.492 40.800 -0.085 0.000 0.951 91 D HN 0.164 nan 8.370 nan 0.000 0.449 92 R N 0.674 121.126 120.500 -0.081 0.000 2.096 92 R HA 0.019 4.360 4.340 0.000 0.000 0.235 92 R C 2.206 178.478 176.300 -0.046 0.000 1.127 92 R CA 0.961 57.032 56.100 -0.049 0.000 0.968 92 R CB -0.936 29.347 30.300 -0.029 0.000 0.861 92 R HN 0.154 nan 8.270 nan 0.000 0.440 93 A N 1.114 123.891 122.820 -0.072 0.000 1.908 93 A HA -0.143 4.178 4.320 0.000 0.000 0.218 93 A C 2.321 179.875 177.584 -0.050 0.000 1.181 93 A CA 1.544 53.552 52.037 -0.047 0.000 0.627 93 A CB -0.416 18.532 19.000 -0.085 0.000 0.818 93 A HN 0.188 nan 8.150 nan 0.000 0.445 94 M N -0.933 118.619 119.600 -0.080 0.000 2.132 94 M HA -0.078 4.402 4.480 0.000 0.000 0.263 94 M C 2.134 178.410 176.300 -0.040 0.000 1.065 94 M CA 1.420 56.683 55.300 -0.061 0.000 1.122 94 M CB -0.522 32.033 32.600 -0.076 0.000 1.365 94 M HN 0.401 nan 8.290 nan 0.000 0.411 95 I N 0.269 120.816 120.570 -0.039 0.000 2.163 95 I HA -0.287 3.883 4.170 0.000 0.000 0.243 95 I C 2.679 178.786 176.117 -0.017 0.000 1.085 95 I CA 1.481 62.766 61.300 -0.026 0.000 1.347 95 I CB -0.517 37.468 38.000 -0.024 0.000 1.044 95 I HN 0.255 nan 8.210 nan 0.000 0.408 96 A N 0.240 123.052 122.820 -0.014 0.000 1.930 96 A HA -0.171 4.149 4.320 0.000 0.000 0.217 96 A C 2.214 179.796 177.584 -0.004 0.000 1.175 96 A CA 1.254 53.288 52.037 -0.005 0.000 0.627 96 A CB -0.677 18.324 19.000 0.002 0.000 0.815 96 A HN 0.375 nan 8.150 nan 0.000 0.443 97 L N 0.479 121.699 121.223 -0.006 0.000 2.056 97 L HA -0.159 4.182 4.340 0.000 0.000 0.207 97 L C 2.061 178.927 176.870 -0.007 0.000 1.078 97 L CA 2.595 57.433 54.840 -0.004 0.000 0.749 97 L CB -0.546 41.510 42.059 -0.005 0.000 0.901 97 L HN 0.576 nan 8.230 nan 0.000 0.433 98 D N -0.743 119.650 120.400 -0.012 0.000 2.097 98 D HA -0.160 4.481 4.640 0.000 0.000 0.195 98 D C 1.629 177.924 176.300 -0.009 0.000 0.989 98 D CA 1.502 55.494 54.000 -0.013 0.000 0.827 98 D CB 0.064 40.854 40.800 -0.017 0.000 0.966 98 D HN 0.511 nan 8.370 nan 0.000 0.456 99 G N 0.516 109.311 108.800 -0.008 0.000 2.162 99 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 99 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 99 G C 0.495 175.392 174.900 -0.005 0.000 0.976 99 G CA 1.187 46.284 45.100 -0.005 0.000 0.655 99 G HN 0.740 nan 8.290 nan 0.000 0.533 100 T N -3.170 111.380 114.554 -0.007 0.000 2.887 100 T HA 0.706 5.056 4.350 0.000 0.000 0.288 100 T C -1.105 173.592 174.700 -0.005 0.000 1.021 100 T CA -1.139 60.958 62.100 -0.007 0.000 1.000 100 T CB 2.914 71.776 68.868 -0.010 0.000 1.034 100 T HN -0.119 nan 8.240 nan 0.000 0.467 101 P HA -0.091 nan 4.420 nan 0.000 0.216 101 P C 1.103 178.402 177.300 -0.000 0.000 1.150 101 P CA 1.057 64.161 63.100 0.006 0.000 0.837 101 P CB -0.020 31.692 31.700 0.020 0.000 0.786 102 N N -0.994 117.699 118.700 -0.011 0.000 2.322 102 N HA -0.012 4.729 4.740 0.000 0.000 0.194 102 N C 0.141 175.638 175.510 -0.021 0.000 1.126 102 N CA 0.068 53.106 53.050 -0.020 0.000 0.845 102 N CB -0.634 37.832 38.487 -0.036 0.000 0.976 102 N HN 0.005 nan 8.380 nan 0.000 0.475 103 K N -1.506 118.883 120.400 -0.018 0.000 3.160 103 K HA -0.151 4.169 4.320 0.000 0.000 0.280 103 K C 0.884 177.471 176.600 -0.022 0.000 1.154 103 K CA 0.661 56.936 56.287 -0.020 0.000 0.822 103 K CB -1.815 30.672 32.500 -0.022 0.000 1.239 103 K HN 0.481 nan 8.250 nan 0.000 0.489 104 G N 0.856 109.643 108.800 -0.021 0.000 2.650 104 G HA2 -0.199 3.761 3.960 0.000 0.000 0.214 104 G HA3 -0.199 3.761 3.960 0.000 0.000 0.214 104 G C 1.193 176.082 174.900 -0.018 0.000 1.136 104 G CA 0.832 45.919 45.100 -0.021 0.000 0.789 104 G HN 0.356 nan 8.290 nan 0.000 0.536 105 K N -0.019 120.371 120.400 -0.017 0.000 2.005 105 K HA 0.181 4.501 4.320 0.000 0.000 0.206 105 K C 2.231 178.822 176.600 -0.016 0.000 1.044 105 K CA 0.407 56.685 56.287 -0.014 0.000 0.942 105 K CB -0.212 32.281 32.500 -0.012 0.000 0.727 105 K HN 0.274 nan 8.250 nan 0.000 0.439 106 L N -0.020 121.192 121.223 -0.019 0.000 2.131 106 L HA 0.130 4.470 4.340 0.000 0.000 0.206 106 L C 0.616 177.470 176.870 -0.027 0.000 1.087 106 L CA 0.510 55.336 54.840 -0.023 0.000 0.767 106 L CB -0.145 41.899 42.059 -0.025 0.000 0.917 106 L HN 0.570 nan 8.230 nan 0.000 0.441 107 G N -1.224 107.560 108.800 -0.026 0.000 3.233 107 G HA2 0.001 3.961 3.960 0.000 0.000 0.686 107 G HA3 0.001 3.961 3.960 0.000 0.000 0.686 107 G C 0.411 175.292 174.900 -0.031 0.000 1.153 107 G CA -0.369 44.713 45.100 -0.029 0.000 0.853 107 G HN 0.160 nan 8.290 nan 0.000 0.582 108 A N 2.265 125.067 122.820 -0.029 0.000 2.019 108 A HA -0.083 4.237 4.320 0.000 0.000 0.219 108 A C 2.355 179.919 177.584 -0.033 0.000 1.164 108 A CA 2.341 54.360 52.037 -0.029 0.000 0.644 108 A CB -0.424 18.561 19.000 -0.026 0.000 0.805 108 A HN 1.546 nan 8.150 nan 0.000 0.449 109 N N 1.235 119.914 118.700 -0.036 0.000 2.106 109 N HA -0.069 4.671 4.740 0.000 0.000 0.188 109 N C 1.705 177.186 175.510 -0.048 0.000 1.029 109 N CA 1.927 54.952 53.050 -0.041 0.000 0.848 109 N CB -1.078 37.383 38.487 -0.044 0.000 1.007 109 N HN 0.358 nan 8.380 nan 0.000 0.423 110 A N 1.510 124.300 122.820 -0.049 0.000 1.883 110 A HA -0.039 4.281 4.320 0.000 0.000 0.217 110 A C 2.470 180.022 177.584 -0.054 0.000 1.186 110 A CA 1.413 53.418 52.037 -0.054 0.000 0.624 110 A CB -0.898 18.072 19.000 -0.050 0.000 0.822 110 A HN 0.308 nan 8.150 nan 0.000 0.444 111 I N -1.061 119.480 120.570 -0.047 0.000 2.179 111 I HA -0.225 3.945 4.170 0.000 0.000 0.242 111 I C 2.454 178.540 176.117 -0.051 0.000 1.088 111 I CA 1.350 62.620 61.300 -0.049 0.000 1.357 111 I CB -0.281 37.693 38.000 -0.042 0.000 1.051 111 I HN 0.390 nan 8.210 nan 0.000 0.409 112 L N 1.118 122.315 121.223 -0.044 0.000 2.093 112 L HA -0.037 4.303 4.340 0.000 0.000 0.208 112 L C 2.332 179.173 176.870 -0.048 0.000 1.085 112 L CA 2.022 56.839 54.840 -0.039 0.000 0.755 112 L CB -1.110 40.931 42.059 -0.029 0.000 0.904 112 L HN 0.177 nan 8.230 nan 0.000 0.435 113 G N -0.937 107.830 108.800 -0.055 0.000 2.446 113 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 113 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 113 G C 1.515 176.369 174.900 -0.077 0.000 1.168 113 G CA 1.203 46.264 45.100 -0.065 0.000 0.771 113 G HN 0.328 nan 8.290 nan 0.000 0.551 114 V N 0.670 120.538 119.914 -0.076 0.000 2.295 114 V HA -0.191 3.929 4.120 0.000 0.000 0.246 114 V C 2.993 179.032 176.094 -0.091 0.000 1.049 114 V CA 2.218 64.468 62.300 -0.084 0.000 1.024 114 V CB -0.668 31.108 31.823 -0.078 0.000 0.648 114 V HN 0.473 nan 8.190 nan 0.000 0.447 115 S N -0.311 115.341 115.700 -0.079 0.000 2.365 115 S HA -0.217 4.253 4.470 0.000 0.000 0.225 115 S C 1.889 176.447 174.600 -0.070 0.000 1.039 115 S CA 2.179 60.334 58.200 -0.075 0.000 1.033 115 S CB -0.381 62.785 63.200 -0.057 0.000 0.887 115 S HN 0.511 nan 8.310 nan 0.000 0.447 116 I N 1.258 121.790 120.570 -0.063 0.000 2.202 116 I HA -0.127 4.043 4.170 0.000 0.000 0.242 116 I C 2.802 178.858 176.117 -0.101 0.000 1.091 116 I CA 1.085 62.348 61.300 -0.060 0.000 1.368 116 I CB -0.621 37.352 38.000 -0.046 0.000 1.058 116 I HN 0.369 nan 8.210 nan 0.000 0.410 117 A N 0.549 123.291 122.820 -0.129 0.000 1.933 117 A HA -0.147 4.173 4.320 0.000 0.000 0.218 117 A C 2.449 179.908 177.584 -0.208 0.000 1.175 117 A CA 1.656 53.575 52.037 -0.197 0.000 0.628 117 A CB -0.944 17.936 19.000 -0.200 0.000 0.814 117 A HN 0.243 nan 8.150 nan 0.000 0.444 118 V N -0.179 119.640 119.914 -0.157 0.000 2.295 118 V HA -0.271 3.849 4.120 0.000 0.000 0.246 118 V C 3.076 179.070 176.094 -0.167 0.000 1.049 118 V CA 2.037 64.246 62.300 -0.151 0.000 1.024 118 V CB -1.233 30.517 31.823 -0.121 0.000 0.648 118 V HN 0.627 nan 8.190 nan 0.000 0.447 119 A N -0.124 122.626 122.820 -0.117 0.000 1.902 119 A HA -0.240 4.081 4.320 0.000 0.000 0.217 119 A C 2.356 179.802 177.584 -0.230 0.000 1.181 119 A CA 1.934 53.915 52.037 -0.093 0.000 0.623 119 A CB -0.498 18.526 19.000 0.041 0.000 0.818 119 A HN 0.531 nan 8.150 nan 0.000 0.443 120 R N -0.613 119.779 120.500 -0.181 0.000 2.092 120 R HA -0.024 4.316 4.340 0.000 0.000 0.231 120 R C 2.455 178.610 176.300 -0.241 0.000 1.119 120 R CA 1.092 57.077 56.100 -0.192 0.000 0.970 120 R CB -0.436 29.761 30.300 -0.172 0.000 0.864 120 R HN 0.510 nan 8.270 nan 0.000 0.440 121 A N 1.294 123.951 122.820 -0.272 0.000 1.933 121 A HA -0.092 4.229 4.320 0.000 0.000 0.218 121 A C 2.355 179.820 177.584 -0.198 0.000 1.175 121 A CA 1.622 53.520 52.037 -0.232 0.000 0.628 121 A CB -0.547 18.315 19.000 -0.231 0.000 0.814 121 A HN 0.386 nan 8.150 nan 0.000 0.444 122 A N -0.117 122.499 122.820 -0.340 0.000 1.898 122 A HA 0.195 4.515 4.320 0.000 0.000 0.216 122 A C 2.501 179.774 177.584 -0.518 0.000 1.181 122 A CA 1.953 53.710 52.037 -0.467 0.000 0.620 122 A CB -0.995 17.536 19.000 -0.782 0.000 0.819 122 A HN 1.022 nan 8.150 nan 0.000 0.442 123 A N 0.017 122.457 122.820 -0.633 0.000 1.902 123 A HA -0.222 4.098 4.320 0.000 0.000 0.217 123 A C 1.848 179.343 177.584 -0.149 0.000 1.181 123 A CA 2.238 54.074 52.037 -0.334 0.000 0.623 123 A CB -0.761 18.120 19.000 -0.199 0.000 0.818 123 A HN 0.538 nan 8.150 nan 0.000 0.443 124 D N -2.003 118.326 120.400 -0.118 0.000 2.123 124 D HA -0.215 4.425 4.640 0.000 0.000 0.196 124 D C 1.734 178.028 176.300 -0.011 0.000 0.992 124 D CA 1.635 55.612 54.000 -0.039 0.000 0.833 124 D CB -0.290 40.505 40.800 -0.008 0.000 0.954 124 D HN 0.517 nan 8.370 nan 0.000 0.455 125 Y N 0.625 120.864 120.300 -0.102 0.000 2.145 125 Y HA -0.066 4.484 4.550 0.000 0.000 0.286 125 Y C 1.807 177.679 175.900 -0.046 0.000 1.145 125 Y CA 1.479 59.542 58.100 -0.061 0.000 1.148 125 Y CB -0.245 38.169 38.460 -0.076 0.000 0.981 125 Y HN 0.030 nan 8.280 nan 0.000 0.507 126 L N 0.325 121.489 121.223 -0.098 0.000 2.552 126 L HA -0.040 4.301 4.340 0.000 0.000 0.227 126 L C 0.316 177.114 176.870 -0.120 0.000 1.146 126 L CA 0.891 55.657 54.840 -0.123 0.000 0.858 126 L CB -0.449 41.635 42.059 0.042 0.000 0.969 126 L HN 0.227 nan 8.230 nan 0.000 0.451 127 E N 0.942 121.076 120.200 -0.110 0.000 2.340 127 E HA -0.218 4.132 4.350 0.000 0.000 0.240 127 E C -0.335 176.231 176.600 -0.057 0.000 1.154 127 E CA 0.481 56.834 56.400 -0.079 0.000 0.717 127 E CB -1.650 27.998 29.700 -0.088 0.000 1.250 127 E HN 0.634 nan 8.360 nan 0.000 0.386 128 I N -4.799 115.737 120.570 -0.056 0.000 3.074 128 I HA 0.714 4.884 4.170 0.000 0.000 0.310 128 I C -2.673 173.379 176.117 -0.108 0.000 1.153 128 I CA -3.170 58.090 61.300 -0.067 0.000 0.993 128 I CB 2.019 39.997 38.000 -0.037 0.000 1.237 128 I HN -0.322 nan 8.210 nan 0.000 0.443 129 P HA 0.131 nan 4.420 nan 0.000 0.272 129 P C 0.462 177.592 177.300 -0.283 0.000 1.223 129 P CA -0.445 62.473 63.100 -0.304 0.000 0.784 129 P CB 0.809 32.106 31.700 -0.672 0.000 0.923 130 L N 3.179 124.324 121.223 -0.131 0.000 2.012 130 L HA -0.211 4.129 4.340 0.000 0.000 0.210 130 L C 2.296 179.192 176.870 0.043 0.000 1.073 130 L CA 1.890 56.736 54.840 0.011 0.000 0.748 130 L CB -1.707 40.387 42.059 0.059 0.000 0.891 130 L HN 0.494 nan 8.230 nan 0.000 0.431 131 Y N -2.098 118.248 120.300 0.077 0.000 2.193 131 Y HA -0.168 4.382 4.550 0.000 0.000 0.285 131 Y C 2.325 178.261 175.900 0.061 0.000 1.166 131 Y CA 1.432 59.571 58.100 0.065 0.000 1.181 131 Y CB -1.687 36.789 38.460 0.027 0.000 0.976 131 Y HN 0.129 nan 8.280 nan 0.000 0.520 132 S N -0.135 115.359 115.700 -0.343 0.000 2.368 132 S HA -0.183 4.287 4.470 0.000 0.000 0.224 132 S C 1.739 176.317 174.600 -0.037 0.000 1.029 132 S CA 1.144 59.262 58.200 -0.137 0.000 0.988 132 S CB -0.820 62.251 63.200 -0.215 0.000 0.838 132 S HN 0.658 nan 8.310 nan 0.000 0.462 133 Y N 2.447 122.676 120.300 -0.117 0.000 2.128 133 Y HA -0.110 4.441 4.550 0.000 0.000 0.284 133 Y C 1.861 177.722 175.900 -0.066 0.000 1.154 133 Y CA 1.340 59.395 58.100 -0.074 0.000 1.149 133 Y CB -0.528 37.885 38.460 -0.078 0.000 0.976 133 Y HN 0.135 nan 8.280 nan 0.000 0.505 134 L N -1.082 120.060 121.223 -0.136 0.000 2.056 134 L HA -0.082 4.258 4.340 0.000 0.000 0.207 134 L C 2.355 179.133 176.870 -0.154 0.000 1.078 134 L CA 1.440 56.138 54.840 -0.237 0.000 0.749 134 L CB -0.781 41.292 42.059 0.023 0.000 0.901 134 L HN 0.399 nan 8.230 nan 0.000 0.433 135 G N -1.622 107.179 108.800 0.002 0.000 3.192 135 G HA2 0.445 4.405 3.960 0.000 0.000 0.239 135 G HA3 0.445 4.405 3.960 0.000 0.000 0.239 135 G C 0.738 175.630 174.900 -0.013 0.000 1.084 135 G CA 0.422 45.552 45.100 0.051 0.000 0.784 135 G HN 0.517 nan 8.290 nan 0.000 0.540 136 G N 0.288 109.070 108.800 -0.029 0.000 2.642 136 G HA2 -0.146 3.814 3.960 0.000 0.000 0.231 136 G HA3 -0.146 3.814 3.960 0.000 0.000 0.231 136 G C 0.672 175.602 174.900 0.050 0.000 1.338 136 G CA 0.244 45.355 45.100 0.019 0.000 0.883 136 G HN 0.971 nan 8.290 nan 0.000 0.570 137 F N 0.539 120.496 119.950 0.011 0.000 2.367 137 F HA 0.252 4.779 4.527 0.000 0.000 0.298 137 F C 1.461 177.287 175.800 0.043 0.000 1.094 137 F CA 1.278 59.294 58.000 0.027 0.000 1.409 137 F CB -0.120 38.889 39.000 0.015 0.000 1.064 137 F HN 0.355 nan 8.300 nan 0.000 0.528 138 N N 1.194 119.302 118.700 -0.986 0.000 2.466 138 N HA 0.063 4.803 4.740 0.000 0.000 0.251 138 N C -0.644 174.665 175.510 -0.335 0.000 1.164 138 N CA 0.127 52.649 53.050 -0.880 0.000 0.888 138 N CB -0.428 37.432 38.487 -1.045 0.000 1.177 138 N HN 0.350 nan 8.380 nan 0.000 0.498 139 T N -1.694 112.766 114.554 -0.156 0.000 2.749 139 T HA 0.283 4.633 4.350 0.000 0.000 0.295 139 T C 0.713 175.386 174.700 -0.046 0.000 0.936 139 T CA -0.459 61.616 62.100 -0.042 0.000 1.060 139 T CB 1.310 70.262 68.868 0.140 0.000 0.904 139 T HN 0.446 nan 8.240 nan 0.000 0.500 140 K N 1.067 121.418 120.400 -0.081 0.000 2.570 140 K HA 0.153 4.473 4.320 0.000 0.000 0.201 140 K C -0.699 175.855 176.600 -0.078 0.000 1.730 140 K CA -0.381 55.862 56.287 -0.073 0.000 1.034 140 K CB 0.443 32.916 32.500 -0.046 0.000 1.471 140 K HN 0.444 nan 8.250 nan 0.000 0.608 141 V N 4.050 123.911 119.914 -0.088 0.000 2.408 141 V HA 0.233 4.353 4.120 0.000 0.000 0.267 141 V C 0.162 176.203 176.094 -0.088 0.000 1.047 141 V CA -0.665 61.589 62.300 -0.077 0.000 0.937 141 V CB 1.144 32.916 31.823 -0.085 0.000 0.999 141 V HN 0.203 nan 8.190 nan 0.000 0.472 142 L N 8.661 129.866 121.223 -0.030 0.000 2.331 142 L HA 0.388 4.728 4.340 0.000 0.000 0.278 142 L C -1.849 175.050 176.870 0.049 0.000 1.106 142 L CA -1.360 53.476 54.840 -0.007 0.000 0.824 142 L CB 1.411 43.543 42.059 0.121 0.000 1.142 142 L HN 0.424 nan 8.230 nan 0.000 0.443 143 P HA 0.089 nan 4.420 nan 0.000 0.278 143 P C -0.474 176.933 177.300 0.177 0.000 1.238 143 P CA -0.393 62.702 63.100 -0.009 0.000 0.794 143 P CB 0.642 32.307 31.700 -0.059 0.000 0.955 144 T N 5.530 120.082 114.554 -0.002 0.000 2.769 144 T HA 0.231 4.582 4.350 0.000 0.000 0.293 144 T C -1.950 172.845 174.700 0.159 0.000 0.931 144 T CA -0.756 61.401 62.100 0.094 0.000 1.139 144 T CB -0.260 68.570 68.868 -0.064 0.000 0.881 144 T HN 0.394 nan 8.240 nan 0.000 0.532 145 P HA 0.306 nan 4.420 nan 0.000 0.288 145 P C -0.722 176.666 177.300 0.146 0.000 1.267 145 P CA -0.842 62.394 63.100 0.226 0.000 0.815 145 P CB 0.726 32.627 31.700 0.334 0.000 0.989 146 M N 2.134 121.799 119.600 0.110 0.000 2.101 146 M HA 0.560 5.040 4.480 0.000 0.000 0.340 146 M C -0.671 175.679 176.300 0.084 0.000 1.057 146 M CA -0.456 54.898 55.300 0.090 0.000 0.984 146 M CB 1.104 33.748 32.600 0.073 0.000 1.560 146 M HN 0.076 nan 8.290 nan 0.000 0.435 147 M N 3.322 122.976 119.600 0.091 0.000 2.066 147 M HA 0.326 4.806 4.480 0.000 0.000 0.340 147 M C -0.381 175.982 176.300 0.105 0.000 1.053 147 M CA -0.381 54.974 55.300 0.093 0.000 0.983 147 M CB 1.234 33.854 32.600 0.033 0.000 1.520 147 M HN 0.802 nan 8.290 nan 0.000 0.428 148 N N 2.349 121.113 118.700 0.107 0.000 2.356 148 N HA 0.033 4.773 4.740 0.000 0.000 0.252 148 N C 0.093 175.694 175.510 0.152 0.000 1.241 148 N CA 0.631 53.763 53.050 0.137 0.000 0.861 148 N CB 0.795 39.359 38.487 0.129 0.000 1.075 148 N HN 0.812 nan 8.380 nan 0.000 0.461 149 I N 2.241 122.940 120.570 0.215 0.000 4.738 149 I HA 0.307 4.477 4.170 0.000 0.000 0.315 149 I C -0.845 175.443 176.117 0.286 0.000 1.214 149 I CA -0.008 61.448 61.300 0.260 0.000 1.337 149 I CB 0.454 38.618 38.000 0.275 0.000 1.433 149 I HN 0.415 nan 8.210 nan 0.000 0.472 150 I N 1.550 122.308 120.570 0.313 0.000 2.647 150 I HA 0.360 4.530 4.170 0.000 0.000 0.295 150 I C -1.178 175.171 176.117 0.387 0.000 1.078 150 I CA -0.438 61.048 61.300 0.310 0.000 1.048 150 I CB 1.604 39.712 38.000 0.179 0.000 1.239 150 I HN 0.150 nan 8.210 nan 0.000 0.421 151 N N 1.970 120.860 118.700 0.318 0.000 2.272 151 N HA 0.804 5.544 4.740 0.000 0.000 0.305 151 N C -0.109 175.594 175.510 0.321 0.000 1.103 151 N CA -0.539 52.711 53.050 0.333 0.000 0.791 151 N CB 2.691 41.314 38.487 0.225 0.000 1.356 151 N HN 0.805 nan 8.380 nan 0.000 0.486 152 G N -1.104 107.899 108.800 0.338 0.000 3.135 152 G HA2 0.693 4.653 3.960 0.000 0.000 0.278 152 G HA3 0.693 4.653 3.960 0.000 0.000 0.278 152 G C 0.259 175.169 174.900 0.017 0.000 1.302 152 G CA -0.217 45.015 45.100 0.219 0.000 0.880 152 G HN 0.790 nan 8.290 nan 0.000 0.574 153 G N -0.203 108.441 108.800 -0.260 0.000 2.622 153 G HA2 -0.276 3.684 3.960 0.000 0.000 0.307 153 G HA3 -0.276 3.684 3.960 0.000 0.000 0.307 153 G C 1.584 176.107 174.900 -0.629 0.000 1.226 153 G CA 1.259 45.751 45.100 -1.012 0.000 0.997 153 G HN 1.539 nan 8.290 nan 0.000 0.551 154 S N 0.235 115.715 115.700 -0.367 0.000 2.442 154 S HA -0.028 4.443 4.470 0.000 0.000 0.236 154 S C 1.445 176.034 174.600 -0.018 0.000 1.007 154 S CA 1.405 59.651 58.200 0.076 0.000 0.965 154 S CB -0.218 63.075 63.200 0.156 0.000 0.773 154 S HN 0.583 nan 8.310 nan 0.000 0.504 155 H N 0.117 119.195 119.070 0.014 0.000 2.519 155 H HA 0.447 5.003 4.556 0.000 0.000 0.289 155 H C 0.255 175.619 175.328 0.060 0.000 1.040 155 H CA 0.058 56.136 56.048 0.051 0.000 1.165 155 H CB 0.356 30.156 29.762 0.063 0.000 1.462 155 H HN 0.214 nan 8.280 nan 0.000 0.555 156 S N -0.414 115.354 115.700 0.113 0.000 2.596 156 S HA 0.149 4.619 4.470 0.000 0.000 0.270 156 S C -0.454 174.201 174.600 0.091 0.000 1.155 156 S CA -0.714 57.546 58.200 0.099 0.000 0.827 156 S CB 1.614 64.877 63.200 0.105 0.000 1.130 156 S HN 0.194 nan 8.310 nan 0.000 0.467 157 D N 1.301 121.746 120.400 0.075 0.000 2.395 157 D HA 0.303 4.943 4.640 0.000 0.000 0.213 157 D C 0.418 176.761 176.300 0.071 0.000 1.110 157 D CA 0.127 54.174 54.000 0.078 0.000 0.835 157 D CB 0.797 41.630 40.800 0.054 0.000 0.965 157 D HN 0.552 nan 8.370 nan 0.000 0.505 158 A N 2.103 124.964 122.820 0.068 0.000 2.322 158 A HA 0.409 4.730 4.320 0.000 0.000 0.269 158 A C -2.152 175.486 177.584 0.091 0.000 1.094 158 A CA -1.112 50.964 52.037 0.066 0.000 0.807 158 A CB 0.308 19.348 19.000 0.067 0.000 1.047 158 A HN -0.159 nan 8.150 nan 0.000 0.487 159 P HA 0.289 nan 4.420 nan 0.000 0.241 159 P C -1.013 176.328 177.300 0.068 0.000 1.760 159 P CA 0.753 63.904 63.100 0.084 0.000 1.081 159 P CB -0.584 31.151 31.700 0.058 0.000 1.975 160 I N 0.614 121.228 120.570 0.073 0.000 2.512 160 I HA 0.325 4.495 4.170 0.000 0.000 0.287 160 I C 1.133 177.229 176.117 -0.035 0.000 1.069 160 I CA -0.843 60.476 61.300 0.032 0.000 1.056 160 I CB 2.258 40.323 38.000 0.108 0.000 1.229 160 I HN -0.039 nan 8.210 nan 0.000 0.429 161 A N 6.300 129.046 122.820 -0.124 0.000 1.897 161 A HA 0.113 4.433 4.320 0.000 0.000 0.215 161 A C 0.737 178.257 177.584 -0.107 0.000 1.181 161 A CA 1.045 52.924 52.037 -0.263 0.000 0.620 161 A CB -0.125 18.461 19.000 -0.690 0.000 0.821 161 A HN 0.473 nan 8.150 nan 0.000 0.443 162 F N 0.314 120.194 119.950 -0.115 0.000 2.506 162 F HA 0.236 4.764 4.527 0.000 0.000 0.351 162 F C 1.586 177.313 175.800 -0.121 0.000 1.136 162 F CA -0.444 57.459 58.000 -0.161 0.000 1.298 162 F CB 0.569 39.234 39.000 -0.559 0.000 1.145 162 F HN 0.379 nan 8.300 nan 0.000 0.593 163 Q N 0.622 120.484 119.800 0.103 0.000 2.123 163 Q HA 0.027 4.367 4.340 0.000 0.000 0.196 163 Q C -0.523 175.542 176.000 0.108 0.000 0.958 163 Q CA 1.044 56.896 55.803 0.082 0.000 0.841 163 Q CB 0.387 29.166 28.738 0.070 0.000 0.915 163 Q HN 0.753 nan 8.270 nan 0.000 0.455 164 E N -0.395 119.824 120.200 0.031 0.000 2.272 164 E HA 0.373 4.723 4.350 0.000 0.000 0.269 164 E C -1.623 175.008 176.600 0.052 0.000 0.877 164 E CA -0.570 55.898 56.400 0.112 0.000 0.755 164 E CB 1.737 31.480 29.700 0.071 0.000 1.192 164 E HN 0.021 nan 8.360 nan 0.000 0.422 165 F N 2.138 122.219 119.950 0.219 0.000 2.477 165 F HA 0.486 5.013 4.527 0.000 0.000 0.335 165 F C -0.040 175.868 175.800 0.180 0.000 1.130 165 F CA -0.536 57.628 58.000 0.274 0.000 0.948 165 F CB 1.263 40.417 39.000 0.258 0.000 1.154 165 F HN 0.204 nan 8.300 nan 0.000 0.439 166 M N 4.657 124.420 119.600 0.272 0.000 2.662 166 M HA 0.651 5.131 4.480 0.000 0.000 0.310 166 M C -0.736 175.645 176.300 0.135 0.000 1.204 166 M CA -0.933 54.472 55.300 0.175 0.000 0.891 166 M CB 2.884 35.553 32.600 0.114 0.000 1.732 166 M HN 0.509 nan 8.290 nan 0.000 0.467 167 I N -0.177 120.464 120.570 0.118 0.000 2.493 167 I HA 0.675 4.846 4.170 0.000 0.000 0.298 167 I C -1.523 174.650 176.117 0.092 0.000 0.998 167 I CA -1.037 60.320 61.300 0.096 0.000 1.137 167 I CB 1.442 39.494 38.000 0.086 0.000 1.310 167 I HN 0.465 nan 8.210 nan 0.000 0.445 168 L N 6.711 128.003 121.223 0.116 0.000 2.388 168 L HA 0.453 4.794 4.340 0.000 0.000 0.267 168 L C -2.270 174.698 176.870 0.163 0.000 0.995 168 L CA -1.174 53.751 54.840 0.141 0.000 0.864 168 L CB 1.776 43.933 42.059 0.163 0.000 1.216 168 L HN 0.461 nan 8.230 nan 0.000 0.430 169 P HA 0.014 nan 4.420 nan 0.000 0.226 169 P C 1.120 178.525 177.300 0.175 0.000 1.783 169 P CA -0.069 63.090 63.100 0.099 0.000 0.980 169 P CB 0.375 32.023 31.700 -0.086 0.000 1.967 170 V N -0.378 119.681 119.914 0.242 0.000 2.594 170 V HA -0.016 4.104 4.120 0.000 0.000 0.253 170 V C 2.071 178.312 176.094 0.245 0.000 1.069 170 V CA 2.020 64.457 62.300 0.228 0.000 1.082 170 V CB -1.732 30.184 31.823 0.154 0.000 0.680 170 V HN 0.279 nan 8.190 nan 0.000 0.469 171 G N -0.202 108.756 108.800 0.263 0.000 2.985 171 G HA2 0.420 4.380 3.960 0.000 0.000 0.209 171 G HA3 0.420 4.380 3.960 0.000 0.000 0.209 171 G C 0.729 175.771 174.900 0.236 0.000 1.165 171 G CA 0.386 45.642 45.100 0.260 0.000 0.776 171 G HN 0.941 nan 8.290 nan 0.000 0.541 172 A N 1.220 124.069 122.820 0.048 0.000 2.425 172 A HA 0.491 4.811 4.320 0.000 0.000 0.242 172 A C -0.381 177.183 177.584 -0.034 0.000 1.077 172 A CA -0.739 51.107 52.037 -0.317 0.000 0.781 172 A CB 0.841 19.219 19.000 -1.037 0.000 1.020 172 A HN 0.145 nan 8.150 nan 0.000 0.494 173 P HA 0.032 nan 4.420 nan 0.000 0.227 173 P C 0.415 177.729 177.300 0.024 0.000 1.161 173 P CA 1.479 64.604 63.100 0.041 0.000 0.788 173 P CB 0.034 31.753 31.700 0.031 0.000 0.822 174 T N -5.624 108.790 114.554 -0.233 0.000 2.864 174 T HA 0.343 4.693 4.350 0.000 0.000 0.299 174 T C 0.241 174.489 174.700 -0.754 0.000 1.166 174 T CA -0.687 61.255 62.100 -0.265 0.000 1.007 174 T CB 0.822 69.606 68.868 -0.141 0.000 1.219 174 T HN -0.191 nan 8.240 nan 0.000 0.506 175 F N 1.500 121.090 119.950 -0.599 0.000 2.134 175 F HA 0.092 4.619 4.527 0.000 0.000 0.299 175 F C 2.414 177.963 175.800 -0.419 0.000 1.097 175 F CA 1.826 59.478 58.000 -0.580 0.000 1.264 175 F CB -0.128 38.767 39.000 -0.176 0.000 1.001 175 F HN 0.750 nan 8.300 nan 0.000 0.479 176 K N 0.144 120.358 120.400 -0.311 0.000 2.063 176 K HA -0.212 4.108 4.320 0.000 0.000 0.208 176 K C 2.037 178.391 176.600 -0.409 0.000 1.048 176 K CA 1.823 57.941 56.287 -0.280 0.000 0.928 176 K CB -0.197 32.248 32.500 -0.091 0.000 0.713 176 K HN 0.229 nan 8.250 nan 0.000 0.442 177 E N 0.318 120.253 120.200 -0.442 0.000 2.047 177 E HA -0.154 4.196 4.350 0.000 0.000 0.191 177 E C 2.047 178.142 176.600 -0.842 0.000 0.987 177 E CA 1.126 57.241 56.400 -0.475 0.000 0.799 177 E CB -0.336 29.132 29.700 -0.386 0.000 0.752 177 E HN 0.447 nan 8.360 nan 0.000 0.449 178 A N 1.518 123.688 122.820 -1.083 0.000 1.917 178 A HA -0.214 4.106 4.320 0.000 0.000 0.219 178 A C 2.274 179.379 177.584 -0.799 0.000 1.182 178 A CA 1.635 53.040 52.037 -1.054 0.000 0.633 178 A CB -0.703 17.657 19.000 -1.067 0.000 0.819 178 A HN 0.249 nan 8.150 nan 0.000 0.448 179 L N -0.328 120.338 121.223 -0.928 0.000 2.056 179 L HA -0.105 4.236 4.340 0.000 0.000 0.207 179 L C 2.468 179.096 176.870 -0.403 0.000 1.078 179 L CA 2.446 56.841 54.840 -0.741 0.000 0.749 179 L CB -0.614 40.979 42.059 -0.776 0.000 0.901 179 L HN 0.482 nan 8.230 nan 0.000 0.433 180 R N -1.893 118.437 120.500 -0.284 0.000 2.091 180 R HA -0.233 4.108 4.340 0.000 0.000 0.238 180 R C 2.294 178.618 176.300 0.039 0.000 1.136 180 R CA 1.896 57.959 56.100 -0.062 0.000 0.959 180 R CB -0.458 29.859 30.300 0.029 0.000 0.856 180 R HN 0.361 nan 8.270 nan 0.000 0.437 181 Y N -0.105 120.009 120.300 -0.311 0.000 2.081 181 Y HA -0.115 4.435 4.550 0.000 0.000 0.280 181 Y C 2.534 178.240 175.900 -0.323 0.000 1.163 181 Y CA 1.276 59.055 58.100 -0.535 0.000 1.135 181 Y CB -1.318 36.654 38.460 -0.814 0.000 0.970 181 Y HN 0.260 nan 8.280 nan 0.000 0.498 182 G N -0.645 108.079 108.800 -0.127 0.000 2.446 182 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 182 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 182 G C 1.973 176.825 174.900 -0.080 0.000 1.168 182 G CA 1.454 46.478 45.100 -0.126 0.000 0.771 182 G HN 0.506 nan 8.290 nan 0.000 0.551 183 A N 0.940 123.688 122.820 -0.120 0.000 1.865 183 A HA -0.061 4.259 4.320 0.000 0.000 0.217 183 A C 2.171 179.755 177.584 0.001 0.000 1.191 183 A CA 1.999 53.967 52.037 -0.114 0.000 0.623 183 A CB -0.501 18.477 19.000 -0.036 0.000 0.826 183 A HN 0.456 nan 8.150 nan 0.000 0.444 184 E N -0.508 119.775 120.200 0.139 0.000 2.110 184 E HA -0.154 4.197 4.350 0.000 0.000 0.193 184 E C 1.870 178.593 176.600 0.205 0.000 0.988 184 E CA 1.214 57.753 56.400 0.231 0.000 0.804 184 E CB -0.277 29.584 29.700 0.269 0.000 0.745 184 E HN 0.722 nan 8.360 nan 0.000 0.458 185 I N 0.216 120.888 120.570 0.170 0.000 2.286 185 I HA -0.213 3.958 4.170 0.000 0.000 0.245 185 I C 2.224 178.441 176.117 0.166 0.000 1.104 185 I CA 0.656 62.053 61.300 0.161 0.000 1.397 185 I CB -0.174 37.905 38.000 0.132 0.000 1.072 185 I HN 0.070 nan 8.210 nan 0.000 0.417 186 F N 1.622 121.566 119.950 -0.009 0.000 2.095 186 F HA -0.286 4.241 4.527 0.000 0.000 0.298 186 F C 2.734 178.589 175.800 0.092 0.000 1.104 186 F CA 1.899 59.906 58.000 0.012 0.000 1.232 186 F CB -0.385 38.509 39.000 -0.176 0.000 0.987 186 F HN 0.121 nan 8.300 nan 0.000 0.475 187 H N -0.035 119.171 119.070 0.227 0.000 2.389 187 H HA 0.021 4.577 4.556 0.000 0.000 0.299 187 H C 2.410 177.744 175.328 0.010 0.000 1.081 187 H CA 1.179 57.285 56.048 0.096 0.000 1.345 187 H CB -1.081 28.775 29.762 0.157 0.000 1.393 187 H HN 0.412 nan 8.280 nan 0.000 0.520 188 A N 1.299 124.205 122.820 0.143 0.000 1.902 188 A HA -0.132 4.188 4.320 0.000 0.000 0.217 188 A C 2.520 180.103 177.584 -0.002 0.000 1.181 188 A CA 1.402 53.477 52.037 0.064 0.000 0.623 188 A CB -0.771 18.271 19.000 0.069 0.000 0.818 188 A HN 0.302 nan 8.150 nan 0.000 0.443 189 L N 0.026 121.242 121.223 -0.013 0.000 2.046 189 L HA -0.135 4.205 4.340 0.000 0.000 0.208 189 L C 2.261 178.983 176.870 -0.248 0.000 1.077 189 L CA 2.629 57.428 54.840 -0.069 0.000 0.747 189 L CB -0.557 41.516 42.059 0.022 0.000 0.896 189 L HN 0.448 nan 8.230 nan 0.000 0.432 190 K N -0.376 119.826 120.400 -0.331 0.000 2.032 190 K HA -0.256 4.064 4.320 0.000 0.000 0.209 190 K C 2.148 178.584 176.600 -0.273 0.000 1.048 190 K CA 1.850 57.841 56.287 -0.493 0.000 0.927 190 K CB -0.022 32.316 32.500 -0.271 0.000 0.712 190 K HN 0.258 nan 8.250 nan 0.000 0.441 191 K N 0.745 121.064 120.400 -0.135 0.000 2.063 191 K HA -0.093 4.227 4.320 0.000 0.000 0.208 191 K C 2.013 178.553 176.600 -0.099 0.000 1.048 191 K CA 1.556 57.790 56.287 -0.089 0.000 0.928 191 K CB -0.151 32.325 32.500 -0.040 0.000 0.713 191 K HN 0.177 nan 8.250 nan 0.000 0.442 192 I N 0.618 121.129 120.570 -0.099 0.000 2.179 192 I HA -0.314 3.856 4.170 0.000 0.000 0.242 192 I C 2.030 178.083 176.117 -0.107 0.000 1.088 192 I CA 1.264 62.516 61.300 -0.079 0.000 1.357 192 I CB -0.294 37.676 38.000 -0.050 0.000 1.051 192 I HN 0.109 nan 8.210 nan 0.000 0.409 193 L N 0.410 121.520 121.223 -0.188 0.000 2.012 193 L HA -0.256 4.084 4.340 0.000 0.000 0.210 193 L C 2.608 179.364 176.870 -0.189 0.000 1.073 193 L CA 1.645 56.344 54.840 -0.235 0.000 0.748 193 L CB -0.658 41.142 42.059 -0.430 0.000 0.891 193 L HN 0.200 nan 8.230 nan 0.000 0.431 194 K N 0.014 120.306 120.400 -0.180 0.000 2.057 194 K HA -0.167 4.153 4.320 0.000 0.000 0.207 194 K C 2.320 178.868 176.600 -0.087 0.000 1.049 194 K CA 1.764 57.976 56.287 -0.124 0.000 0.931 194 K CB -0.308 32.130 32.500 -0.104 0.000 0.714 194 K HN 0.386 nan 8.250 nan 0.000 0.440 195 S N 1.046 116.700 115.700 -0.077 0.000 2.440 195 S HA -0.147 4.323 4.470 0.000 0.000 0.238 195 S C 1.722 176.292 174.600 -0.049 0.000 1.010 195 S CA 0.982 59.150 58.200 -0.054 0.000 0.972 195 S CB -0.172 63.001 63.200 -0.045 0.000 0.774 195 S HN 0.250 nan 8.310 nan 0.000 0.501 196 R N 0.490 120.955 120.500 -0.058 0.000 2.359 196 R HA 0.305 4.646 4.340 0.000 0.000 0.231 196 R C 1.370 177.634 176.300 -0.060 0.000 0.913 196 R CA 0.354 56.425 56.100 -0.048 0.000 1.075 196 R CB -0.105 30.173 30.300 -0.036 0.000 1.087 196 R HN 0.553 nan 8.270 nan 0.000 0.515 197 G N 1.474 110.232 108.800 -0.070 0.000 2.179 197 G HA2 -0.287 3.673 3.960 0.000 0.000 0.257 197 G HA3 -0.287 3.673 3.960 0.000 0.000 0.257 197 G C 0.042 174.887 174.900 -0.092 0.000 1.010 197 G CA 0.140 45.198 45.100 -0.069 0.000 0.736 197 G HN 0.186 nan 8.290 nan 0.000 0.513 198 L N -0.724 120.420 121.223 -0.131 0.000 2.399 198 L HA 0.610 4.950 4.340 0.000 0.000 0.265 198 L C 0.751 177.510 176.870 -0.184 0.000 1.089 198 L CA -1.117 53.614 54.840 -0.182 0.000 0.802 198 L CB 0.971 42.868 42.059 -0.270 0.000 1.180 198 L HN 0.052 nan 8.230 nan 0.000 0.454 199 E N 0.155 120.253 120.200 -0.170 0.000 2.360 199 E HA 0.076 4.426 4.350 0.000 0.000 0.269 199 E C 0.444 176.965 176.600 -0.132 0.000 1.022 199 E CA 0.194 56.528 56.400 -0.110 0.000 0.887 199 E CB 0.909 30.573 29.700 -0.060 0.000 0.990 199 E HN 0.594 nan 8.360 nan 0.000 0.426 200 T N 0.322 114.830 114.554 -0.078 0.000 3.040 200 T HA 0.489 4.840 4.350 0.000 0.000 0.266 200 T C 0.687 175.555 174.700 0.279 0.000 1.005 200 T CA -0.041 62.033 62.100 -0.043 0.000 0.906 200 T CB 0.368 69.112 68.868 -0.206 0.000 1.082 200 T HN 0.402 nan 8.240 nan 0.000 0.531 201 A N 1.934 124.861 122.820 0.180 0.000 2.492 201 A HA 0.589 4.909 4.320 0.000 0.000 0.236 201 A C 0.621 178.348 177.584 0.238 0.000 1.078 201 A CA -0.173 51.974 52.037 0.183 0.000 0.773 201 A CB -0.009 19.058 19.000 0.113 0.000 1.023 201 A HN 1.035 nan 8.150 nan 0.000 0.504 202 V N -0.393 119.625 119.914 0.174 0.000 2.994 202 V HA 0.918 5.038 4.120 0.000 0.000 0.318 202 V C 0.634 176.788 176.094 0.101 0.000 1.085 202 V CA -0.127 62.247 62.300 0.123 0.000 0.998 202 V CB 1.166 33.029 31.823 0.067 0.000 1.063 202 V HN 1.313 nan 8.190 nan 0.000 0.447 203 G N 0.329 109.185 108.800 0.093 0.000 2.531 203 G HA2 0.353 4.313 3.960 0.000 0.000 0.281 203 G HA3 0.353 4.313 3.960 0.000 0.000 0.281 203 G C 0.099 175.052 174.900 0.088 0.000 1.382 203 G CA 0.001 45.168 45.100 0.112 0.000 1.045 203 G HN 0.743 nan 8.290 nan 0.000 0.533 204 D N -0.334 120.131 120.400 0.108 0.000 2.221 204 D HA -0.068 4.572 4.640 0.000 0.000 0.204 204 D C 1.792 178.108 176.300 0.028 0.000 0.982 204 D CA 1.103 55.145 54.000 0.070 0.000 0.857 204 D CB 0.240 41.098 40.800 0.098 0.000 0.934 204 D HN 0.602 nan 8.370 nan 0.000 0.475 205 E N -1.035 119.180 120.200 0.026 0.000 2.501 205 E HA 0.304 4.655 4.350 0.000 0.000 0.201 205 E C 0.950 177.567 176.600 0.028 0.000 1.016 205 E CA 0.154 56.578 56.400 0.041 0.000 0.920 205 E CB 0.875 30.622 29.700 0.078 0.000 1.023 205 E HN 0.203 nan 8.360 nan 0.000 0.474 206 G N 1.142 109.944 108.800 0.003 0.000 2.157 206 G HA2 -0.235 3.725 3.960 0.000 0.000 0.248 206 G HA3 -0.235 3.725 3.960 0.000 0.000 0.248 206 G C 0.439 175.277 174.900 -0.104 0.000 0.979 206 G CA -0.155 44.916 45.100 -0.050 0.000 0.650 206 G HN 0.472 nan 8.290 nan 0.000 0.529 207 G N -0.988 107.769 108.800 -0.071 0.000 2.552 207 G HA2 0.748 4.708 3.960 0.000 0.000 0.318 207 G HA3 0.748 4.708 3.960 0.000 0.000 0.318 207 G C -0.430 174.354 174.900 -0.193 0.000 1.240 207 G CA -1.110 43.906 45.100 -0.140 0.000 1.002 207 G HN 0.280 nan 8.290 nan 0.000 0.493 208 F N -0.623 119.438 119.950 0.185 0.000 2.432 208 F HA 0.617 5.144 4.527 0.000 0.000 0.329 208 F C 0.690 176.531 175.800 0.068 0.000 1.076 208 F CA -0.897 57.153 58.000 0.083 0.000 1.018 208 F CB 2.298 41.297 39.000 -0.001 0.000 1.201 208 F HN 0.472 nan 8.300 nan 0.000 0.489 209 A N 2.580 125.520 122.820 0.201 0.000 3.204 209 A HA 0.603 4.923 4.320 0.000 0.000 0.327 209 A C -2.748 174.817 177.584 -0.032 0.000 0.998 209 A CA -1.349 50.751 52.037 0.106 0.000 0.891 209 A CB -0.745 18.328 19.000 0.122 0.000 1.061 209 A HN 0.403 nan 8.150 nan 0.000 0.478 210 P HA 0.339 nan 4.420 nan 0.000 0.276 210 P C -0.233 176.789 177.300 -0.462 0.000 1.252 210 P CA -0.518 62.308 63.100 -0.456 0.000 0.802 210 P CB 0.566 31.724 31.700 -0.903 0.000 1.035 211 R N 0.876 121.169 120.500 -0.345 0.000 4.164 211 R HA 0.249 4.590 4.340 0.000 0.000 0.195 211 R C -0.225 175.994 176.300 -0.135 0.000 1.712 211 R CA -0.256 55.739 56.100 -0.174 0.000 1.457 211 R CB -1.038 29.205 30.300 -0.096 0.000 1.387 211 R HN 0.368 nan 8.270 nan 0.000 0.785 212 F N 0.670 120.591 119.950 -0.048 0.000 2.444 212 F HA -0.006 4.521 4.527 0.000 0.000 0.331 212 F C 1.912 177.685 175.800 -0.046 0.000 1.167 212 F CA -0.207 57.755 58.000 -0.063 0.000 1.262 212 F CB 0.643 39.581 39.000 -0.104 0.000 1.196 212 F HN 0.193 nan 8.300 nan 0.000 0.583 213 E N 0.654 120.961 120.200 0.179 0.000 2.274 213 E HA 0.141 4.491 4.350 0.000 0.000 0.194 213 E C 0.950 177.582 176.600 0.053 0.000 0.996 213 E CA 0.860 57.308 56.400 0.079 0.000 0.840 213 E CB -0.135 29.594 29.700 0.049 0.000 0.772 213 E HN 0.763 nan 8.360 nan 0.000 0.491 214 G N -1.113 107.715 108.800 0.047 0.000 2.321 214 G HA2 0.069 4.029 3.960 0.000 0.000 0.296 214 G HA3 0.069 4.029 3.960 0.000 0.000 0.296 214 G C 0.448 175.311 174.900 -0.062 0.000 1.287 214 G CA -0.059 45.041 45.100 0.001 0.000 0.846 214 G HN -0.149 nan 8.290 nan 0.000 0.508 215 T N 0.337 114.854 114.554 -0.062 0.000 2.674 215 T HA -0.064 4.287 4.350 0.000 0.000 0.265 215 T C 2.025 176.653 174.700 -0.120 0.000 1.039 215 T CA 2.217 64.272 62.100 -0.075 0.000 1.150 215 T CB -0.308 68.506 68.868 -0.091 0.000 0.864 215 T HN 0.548 nan 8.240 nan 0.000 0.427 216 E N 0.688 120.859 120.200 -0.048 0.000 2.085 216 E HA -0.195 4.155 4.350 0.000 0.000 0.194 216 E C 2.145 178.646 176.600 -0.165 0.000 0.994 216 E CA 1.190 57.577 56.400 -0.023 0.000 0.801 216 E CB -0.221 29.540 29.700 0.101 0.000 0.743 216 E HN 0.374 nan 8.360 nan 0.000 0.453 217 D N 0.191 120.471 120.400 -0.201 0.000 2.106 217 D HA -0.141 4.499 4.640 0.000 0.000 0.191 217 D C 2.045 177.889 176.300 -0.761 0.000 0.997 217 D CA 1.719 55.526 54.000 -0.320 0.000 0.834 217 D CB -0.593 40.098 40.800 -0.181 0.000 0.956 217 D HN 0.183 nan 8.370 nan 0.000 0.448 218 G N 0.213 108.391 108.800 -1.037 0.000 2.459 218 G HA2 -0.234 3.727 3.960 0.000 0.000 0.217 218 G HA3 -0.234 3.727 3.960 0.000 0.000 0.217 218 G C 1.985 176.375 174.900 -0.850 0.000 1.183 218 G CA 1.359 45.549 45.100 -1.517 0.000 0.776 218 G HN 0.327 nan 8.290 nan 0.000 0.552 219 V N 0.737 120.328 119.914 -0.539 0.000 2.287 219 V HA -0.198 3.922 4.120 0.000 0.000 0.248 219 V C 2.689 178.573 176.094 -0.351 0.000 1.053 219 V CA 2.395 64.473 62.300 -0.370 0.000 1.027 219 V CB -0.576 30.926 31.823 -0.535 0.000 0.646 219 V HN 0.471 nan 8.190 nan 0.000 0.447 220 E N -0.366 119.641 120.200 -0.322 0.000 2.150 220 E HA -0.167 4.183 4.350 0.000 0.000 0.193 220 E C 2.258 178.759 176.600 -0.165 0.000 0.985 220 E CA 1.634 57.930 56.400 -0.173 0.000 0.814 220 E CB -0.205 29.444 29.700 -0.085 0.000 0.752 220 E HN 0.601 nan 8.360 nan 0.000 0.466 221 T N 0.910 115.304 114.554 -0.268 0.000 2.821 221 T HA -0.095 4.255 4.350 0.000 0.000 0.267 221 T C 1.889 176.532 174.700 -0.096 0.000 1.046 221 T CA 0.765 62.758 62.100 -0.177 0.000 1.139 221 T CB -0.095 68.628 68.868 -0.241 0.000 0.871 221 T HN 0.118 nan 8.240 nan 0.000 0.454 222 I N 0.723 121.217 120.570 -0.126 0.000 2.202 222 I HA -0.120 4.050 4.170 0.000 0.000 0.242 222 I C 2.254 178.359 176.117 -0.020 0.000 1.091 222 I CA 1.153 62.434 61.300 -0.033 0.000 1.368 222 I CB -0.400 37.593 38.000 -0.011 0.000 1.058 222 I HN 0.184 nan 8.210 nan 0.000 0.410 223 L N 0.547 121.739 121.223 -0.051 0.000 2.042 223 L HA -0.241 4.099 4.340 0.000 0.000 0.210 223 L C 2.864 179.723 176.870 -0.018 0.000 1.076 223 L CA 1.411 56.233 54.840 -0.030 0.000 0.749 223 L CB -0.789 41.254 42.059 -0.026 0.000 0.893 223 L HN 0.267 nan 8.230 nan 0.000 0.432 224 A N 0.013 122.817 122.820 -0.026 0.000 1.902 224 A HA -0.191 4.129 4.320 0.000 0.000 0.217 224 A C 2.529 180.109 177.584 -0.006 0.000 1.181 224 A CA 1.853 53.879 52.037 -0.019 0.000 0.623 224 A CB -0.701 18.284 19.000 -0.025 0.000 0.818 224 A HN 0.416 nan 8.150 nan 0.000 0.443 225 A N -0.187 122.637 122.820 0.007 0.000 1.898 225 A HA -0.033 4.287 4.320 0.000 0.000 0.216 225 A C 2.110 179.726 177.584 0.054 0.000 1.181 225 A CA 1.396 53.450 52.037 0.030 0.000 0.620 225 A CB -0.591 18.438 19.000 0.048 0.000 0.819 225 A HN 0.495 nan 8.150 nan 0.000 0.442 226 I N -0.267 120.335 120.570 0.055 0.000 2.127 226 I HA -0.306 3.864 4.170 0.000 0.000 0.241 226 I C 2.560 178.717 176.117 0.065 0.000 1.075 226 I CA 1.877 63.230 61.300 0.087 0.000 1.334 226 I CB -0.482 37.552 38.000 0.056 0.000 1.040 226 I HN 0.436 nan 8.210 nan 0.000 0.405 227 E N 0.867 121.073 120.200 0.011 0.000 2.051 227 E HA -0.218 4.132 4.350 0.000 0.000 0.192 227 E C 2.345 178.914 176.600 -0.052 0.000 0.991 227 E CA 1.301 57.683 56.400 -0.030 0.000 0.799 227 E CB -0.269 29.412 29.700 -0.031 0.000 0.748 227 E HN 0.520 nan 8.360 nan 0.000 0.449 228 A N 1.402 124.205 122.820 -0.029 0.000 1.978 228 A HA -0.125 4.196 4.320 0.000 0.000 0.220 228 A C 2.282 179.836 177.584 -0.050 0.000 1.170 228 A CA 1.639 53.655 52.037 -0.035 0.000 0.636 228 A CB -0.482 18.509 19.000 -0.015 0.000 0.810 228 A HN 0.280 nan 8.150 nan 0.000 0.448 229 A N -1.964 120.841 122.820 -0.026 0.000 2.238 229 A HA 0.410 4.730 4.320 0.000 0.000 0.208 229 A C 1.733 179.100 177.584 -0.360 0.000 1.177 229 A CA 1.188 53.199 52.037 -0.044 0.000 0.804 229 A CB -0.869 18.240 19.000 0.181 0.000 0.823 229 A HN 1.910 nan 8.150 nan 0.000 0.482 230 G N -2.453 106.130 108.800 -0.362 0.000 2.132 230 G HA2 -0.248 3.712 3.960 0.000 0.000 0.234 230 G HA3 -0.248 3.712 3.960 0.000 0.000 0.234 230 G C -0.186 174.278 174.900 -0.726 0.000 0.989 230 G CA 0.301 45.091 45.100 -0.517 0.000 0.676 230 G HN 0.431 nan 8.290 nan 0.000 0.522 231 Y N -1.047 119.161 120.300 -0.153 0.000 2.496 231 Y HA 0.630 5.180 4.550 0.000 0.000 0.331 231 Y C 0.585 176.416 175.900 -0.116 0.000 1.140 231 Y CA -1.259 56.734 58.100 -0.178 0.000 1.166 231 Y CB 1.912 40.238 38.460 -0.223 0.000 1.249 231 Y HN 0.058 nan 8.280 nan 0.000 0.479 232 V N 4.016 123.959 119.914 0.049 0.000 2.333 232 V HA 0.314 4.435 4.120 0.000 0.000 0.274 232 V C -2.380 173.676 176.094 -0.063 0.000 1.028 232 V CA -2.343 59.945 62.300 -0.020 0.000 0.851 232 V CB 0.851 32.659 31.823 -0.025 0.000 1.000 232 V HN 0.549 nan 8.190 nan 0.000 0.456 233 P HA 0.217 nan 4.420 nan 0.000 0.265 233 P C 1.028 178.123 177.300 -0.342 0.000 1.193 233 P CA 1.098 64.083 63.100 -0.192 0.000 0.765 233 P CB 0.720 32.346 31.700 -0.124 0.000 0.823 234 G N 1.697 110.050 108.800 -0.745 0.000 2.162 234 G HA2 -0.305 3.656 3.960 0.000 0.000 0.260 234 G HA3 -0.305 3.656 3.960 0.000 0.000 0.260 234 G C 0.729 175.239 174.900 -0.650 0.000 0.976 234 G CA 0.856 45.307 45.100 -1.081 0.000 0.655 234 G HN 0.656 nan 8.290 nan 0.000 0.533 235 K N -1.307 118.885 120.400 -0.348 0.000 2.763 235 K HA 0.119 4.440 4.320 0.000 0.000 0.207 235 K C 1.265 177.932 176.600 0.111 0.000 1.532 235 K CA 0.379 56.656 56.287 -0.017 0.000 1.059 235 K CB -0.058 32.444 32.500 0.002 0.000 1.854 235 K HN 0.004 nan 8.250 nan 0.000 0.497 236 D N 0.723 121.174 120.400 0.085 0.000 2.162 236 D HA 0.026 4.667 4.640 0.000 0.000 0.203 236 D C 0.111 176.534 176.300 0.204 0.000 0.967 236 D CA 0.919 55.037 54.000 0.196 0.000 0.840 236 D CB 0.707 41.625 40.800 0.196 0.000 0.972 236 D HN -0.012 nan 8.370 nan 0.000 0.482 237 V N 1.102 121.062 119.914 0.078 0.000 2.668 237 V HA 0.298 4.418 4.120 0.000 0.000 0.304 237 V C -0.733 175.313 176.094 -0.079 0.000 1.071 237 V CA -0.823 61.527 62.300 0.084 0.000 0.894 237 V CB 1.962 33.813 31.823 0.046 0.000 1.008 237 V HN -0.177 nan 8.190 nan 0.000 0.425 238 F N 3.296 123.236 119.950 -0.017 0.000 2.509 238 F HA 0.716 5.243 4.527 0.000 0.000 0.334 238 F C 0.231 175.994 175.800 -0.062 0.000 1.060 238 F CA -0.833 57.130 58.000 -0.061 0.000 0.997 238 F CB 1.367 40.291 39.000 -0.127 0.000 1.271 238 F HN 0.202 nan 8.300 nan 0.000 0.488 239 L N 0.434 121.711 121.223 0.091 0.000 2.352 239 L HA 0.833 5.173 4.340 0.000 0.000 0.269 239 L C 0.102 176.894 176.870 -0.131 0.000 1.034 239 L CA -0.750 54.070 54.840 -0.033 0.000 0.806 239 L CB 1.573 43.556 42.059 -0.126 0.000 1.244 239 L HN 0.707 nan 8.230 nan 0.000 0.447 240 G N 0.580 109.287 108.800 -0.155 0.000 2.620 240 G HA2 0.710 4.670 3.960 0.000 0.000 0.301 240 G HA3 0.710 4.670 3.960 0.000 0.000 0.301 240 G C -1.658 173.128 174.900 -0.189 0.000 1.347 240 G CA -0.259 44.727 45.100 -0.190 0.000 0.971 240 G HN 0.157 nan 8.290 nan 0.000 0.488 241 F N 0.343 120.215 119.950 -0.130 0.000 2.522 241 F HA 0.489 5.016 4.527 0.000 0.000 0.324 241 F C -0.326 175.328 175.800 -0.244 0.000 1.077 241 F CA -1.732 56.103 58.000 -0.275 0.000 0.944 241 F CB 2.612 41.341 39.000 -0.451 0.000 1.175 241 F HN 0.293 nan 8.300 nan 0.000 0.468 242 D N 1.175 121.559 120.400 -0.027 0.000 2.472 242 D HA 0.257 4.898 4.640 0.000 0.000 0.234 242 D C 0.469 176.666 176.300 -0.171 0.000 1.088 242 D CA -0.223 53.735 54.000 -0.071 0.000 0.882 242 D CB 0.928 41.721 40.800 -0.012 0.000 1.037 242 D HN 0.514 nan 8.370 nan 0.000 0.520 243 C N 3.000 122.107 119.300 -0.321 0.000 2.435 243 C HA 0.204 4.664 4.460 0.000 0.000 0.279 243 C C 1.646 176.629 174.990 -0.011 0.000 1.321 243 C CA 0.518 59.294 59.018 -0.404 0.000 1.752 243 C CB -1.310 26.055 27.740 -0.625 0.000 1.959 243 C HN 0.888 nan 8.230 nan 0.000 0.500 244 A N 1.262 124.053 122.820 -0.048 0.000 2.511 244 A HA -0.222 4.098 4.320 0.000 0.000 0.297 244 A C 1.621 179.162 177.584 -0.071 0.000 1.476 244 A CA 0.934 52.973 52.037 0.003 0.000 0.757 244 A CB -1.771 17.272 19.000 0.071 0.000 1.072 244 A HN 1.091 nan 8.150 nan 0.000 0.413 245 S N -0.783 114.776 115.700 -0.236 0.000 2.469 245 S HA -0.096 4.375 4.470 0.000 0.000 0.238 245 S C 1.718 176.016 174.600 -0.502 0.000 0.998 245 S CA 1.479 59.282 58.200 -0.661 0.000 0.957 245 S CB -0.406 62.526 63.200 -0.448 0.000 0.764 245 S HN 1.058 nan 8.310 nan 0.000 0.514 246 S N 1.974 117.568 115.700 -0.176 0.000 2.419 246 S HA -0.058 4.412 4.470 0.000 0.000 0.235 246 S C 1.718 176.315 174.600 -0.005 0.000 1.019 246 S CA 1.169 59.341 58.200 -0.047 0.000 0.982 246 S CB -0.334 62.883 63.200 0.028 0.000 0.789 246 S HN 0.598 nan 8.310 nan 0.000 0.490 247 E N 0.960 121.177 120.200 0.028 0.000 2.347 247 E HA -0.041 4.309 4.350 0.000 0.000 0.196 247 E C 0.967 177.744 176.600 0.296 0.000 1.008 247 E CA 0.600 57.139 56.400 0.231 0.000 0.852 247 E CB -0.191 29.774 29.700 0.442 0.000 0.783 247 E HN 0.866 nan 8.360 nan 0.000 0.505 248 F N -2.526 117.566 119.950 0.236 0.000 2.724 248 F HA 0.317 4.844 4.527 0.000 0.000 0.310 248 F C 0.097 175.934 175.800 0.061 0.000 1.107 248 F CA -1.326 56.725 58.000 0.084 0.000 1.218 248 F CB -0.412 38.632 39.000 0.072 0.000 1.042 248 F HN -0.266 nan 8.300 nan 0.000 0.540 249 Y N 2.940 123.113 120.300 -0.211 0.000 2.313 249 Y HA 0.516 5.066 4.550 0.000 0.000 0.332 249 Y C -0.374 175.421 175.900 -0.176 0.000 1.071 249 Y CA -0.940 56.970 58.100 -0.317 0.000 1.169 249 Y CB 0.679 38.877 38.460 -0.437 0.000 1.192 249 Y HN 0.371 nan 8.280 nan 0.000 0.487 254 K N -1.173 119.059 120.400 -0.280 0.000 3.230 254 K HA -0.161 4.160 4.320 0.000 0.000 0.285 254 K C -0.467 176.026 176.600 -0.180 0.000 1.196 254 K CA 1.376 57.574 56.287 -0.148 0.000 0.838 254 K CB -1.535 30.975 32.500 0.016 0.000 1.262 254 K HN 0.540 nan 8.250 nan 0.000 0.492 255 V N -3.574 116.051 119.914 -0.481 0.000 3.007 255 V HA 0.660 4.780 4.120 0.000 0.000 0.311 255 V C -0.503 175.405 176.094 -0.310 0.000 1.120 255 V CA -1.137 61.033 62.300 -0.216 0.000 0.980 255 V CB 1.862 33.657 31.823 -0.048 0.000 1.033 255 V HN 0.095 nan 8.190 nan 0.000 0.429 256 Y N 1.585 122.034 120.300 0.249 0.000 2.477 256 Y HA 0.553 5.104 4.550 0.000 0.000 0.349 256 Y C 0.199 176.317 175.900 0.363 0.000 0.977 256 Y CA -0.077 58.252 58.100 0.382 0.000 1.214 256 Y CB 0.902 39.680 38.460 0.530 0.000 1.124 256 Y HN 0.826 nan 8.280 nan 0.000 0.521 257 D N 2.519 123.115 120.400 0.326 0.000 2.467 257 D HA 0.105 4.745 4.640 0.000 0.000 0.220 257 D C 0.031 176.403 176.300 0.120 0.000 1.103 257 D CA -0.367 53.756 54.000 0.205 0.000 0.886 257 D CB 0.310 41.147 40.800 0.061 0.000 1.025 257 D HN 0.433 nan 8.370 nan 0.000 0.514 258 Y N 1.225 121.552 120.300 0.046 0.000 2.421 258 Y HA -0.140 4.410 4.550 0.000 0.000 0.292 258 Y C 2.655 178.511 175.900 -0.073 0.000 1.136 258 Y CA 1.384 59.415 58.100 -0.116 0.000 1.255 258 Y CB -0.378 37.963 38.460 -0.198 0.000 0.991 258 Y HN 0.469 nan 8.280 nan 0.000 0.552 259 T N -1.790 112.805 114.554 0.069 0.000 2.849 259 T HA -0.277 4.073 4.350 0.000 0.000 0.270 259 T C 1.881 176.552 174.700 -0.047 0.000 1.066 259 T CA 1.479 63.587 62.100 0.014 0.000 1.130 259 T CB -0.326 68.544 68.868 0.003 0.000 0.864 259 T HN 0.343 nan 8.240 nan 0.000 0.481 260 K N -0.022 120.303 120.400 -0.125 0.000 2.113 260 K HA -0.126 4.194 4.320 0.000 0.000 0.208 260 K C 1.260 177.618 176.600 -0.405 0.000 1.047 260 K CA 1.824 57.911 56.287 -0.334 0.000 0.928 260 K CB -0.221 31.956 32.500 -0.538 0.000 0.716 260 K HN 0.502 nan 8.250 nan 0.000 0.446 261 F N -0.515 119.429 119.950 -0.011 0.000 2.667 261 F HA 0.237 4.764 4.527 0.000 0.000 0.288 261 F C 0.919 176.714 175.800 -0.008 0.000 1.086 261 F CA -0.138 57.859 58.000 -0.005 0.000 1.297 261 F CB 0.560 39.546 39.000 -0.024 0.000 1.059 261 F HN -0.070 nan 8.300 nan 0.000 0.624 262 E N 0.599 120.890 120.200 0.153 0.000 2.437 262 E HA 0.393 4.743 4.350 0.000 0.000 0.195 262 E C 0.698 177.326 176.600 0.047 0.000 1.029 262 E CA 0.140 56.591 56.400 0.085 0.000 0.948 262 E CB 0.049 29.787 29.700 0.062 0.000 1.082 262 E HN 0.293 nan 8.360 nan 0.000 0.456 263 G N 1.661 110.485 108.800 0.041 0.000 2.814 263 G HA2 -0.314 3.646 3.960 0.000 0.000 0.677 263 G HA3 -0.314 3.646 3.960 0.000 0.000 0.677 263 G C 0.402 175.307 174.900 0.008 0.000 1.429 263 G CA -0.183 44.928 45.100 0.020 0.000 0.868 263 G HN 0.277 nan 8.290 nan 0.000 0.553 264 E N -0.050 120.151 120.200 0.001 0.000 2.164 264 E HA -0.225 4.125 4.350 0.000 0.000 0.206 264 E C 2.461 179.059 176.600 -0.004 0.000 1.032 264 E CA 2.041 58.438 56.400 -0.004 0.000 0.832 264 E CB -0.432 29.265 29.700 -0.005 0.000 0.742 264 E HN 0.890 nan 8.360 nan 0.000 0.460 265 G N -0.228 108.568 108.800 -0.007 0.000 3.088 265 G HA2 0.285 4.245 3.960 0.000 0.000 0.212 265 G HA3 0.285 4.245 3.960 0.000 0.000 0.212 265 G C 0.282 175.169 174.900 -0.022 0.000 1.173 265 G CA 0.338 45.430 45.100 -0.014 0.000 0.779 265 G HN 0.325 nan 8.290 nan 0.000 0.540 266 A N 0.293 123.105 122.820 -0.013 0.000 2.406 266 A HA 0.673 4.993 4.320 0.000 0.000 0.243 266 A C 1.007 178.574 177.584 -0.028 0.000 1.082 266 A CA 0.275 52.298 52.037 -0.024 0.000 0.786 266 A CB 0.197 19.215 19.000 0.030 0.000 1.029 266 A HN 0.974 nan 8.150 nan 0.000 0.495 267 A N 0.364 123.123 122.820 -0.102 0.000 2.466 267 A HA 0.485 4.805 4.320 0.000 0.000 0.238 267 A C -0.122 177.496 177.584 0.057 0.000 1.074 267 A CA -0.008 51.965 52.037 -0.105 0.000 0.774 267 A CB -0.008 18.809 19.000 -0.306 0.000 1.015 267 A HN 1.248 nan 8.150 nan 0.000 0.498 268 V N 3.812 123.768 119.914 0.069 0.000 2.349 268 V HA 0.347 4.468 4.120 0.000 0.000 0.284 268 V C 0.091 176.273 176.094 0.146 0.000 1.014 268 V CA -0.385 62.003 62.300 0.146 0.000 0.826 268 V CB 0.909 32.780 31.823 0.080 0.000 1.009 268 V HN 0.927 nan 8.190 nan 0.000 0.431 269 R N 2.270 122.930 120.500 0.266 0.000 2.460 269 R HA 0.600 4.940 4.340 0.000 0.000 0.303 269 R C 0.474 176.963 176.300 0.316 0.000 0.968 269 R CA -0.529 55.722 56.100 0.251 0.000 0.889 269 R CB 2.048 32.517 30.300 0.282 0.000 1.123 269 R HN 0.806 nan 8.270 nan 0.000 0.455 270 T N -1.299 113.390 114.554 0.224 0.000 2.766 270 T HA -0.038 4.312 4.350 0.000 0.000 0.295 270 T C 1.619 176.513 174.700 0.324 0.000 1.024 270 T CA -0.129 62.111 62.100 0.233 0.000 1.018 270 T CB 1.197 70.153 68.868 0.146 0.000 1.002 270 T HN 0.645 nan 8.240 nan 0.000 0.532 271 S N 0.812 116.714 115.700 0.338 0.000 2.382 271 S HA -0.107 4.363 4.470 0.000 0.000 0.228 271 S C 2.388 177.067 174.600 0.133 0.000 1.027 271 S CA 0.867 59.252 58.200 0.309 0.000 0.991 271 S CB -1.257 62.105 63.200 0.270 0.000 0.823 271 S HN 1.060 nan 8.310 nan 0.000 0.469 272 A N 1.778 124.668 122.820 0.116 0.000 1.902 272 A HA -0.080 4.240 4.320 0.000 0.000 0.217 272 A C 2.160 179.785 177.584 0.068 0.000 1.181 272 A CA 1.569 53.649 52.037 0.071 0.000 0.623 272 A CB -0.740 18.299 19.000 0.066 0.000 0.818 272 A HN 0.707 nan 8.150 nan 0.000 0.443 273 E N -1.078 119.180 120.200 0.096 0.000 2.107 273 E HA -0.213 4.137 4.350 0.000 0.000 0.191 273 E C 2.227 178.896 176.600 0.114 0.000 0.982 273 E CA 1.198 57.653 56.400 0.092 0.000 0.809 273 E CB -0.120 29.634 29.700 0.091 0.000 0.756 273 E HN 0.691 nan 8.360 nan 0.000 0.459 274 Q N 1.290 121.168 119.800 0.130 0.000 2.061 274 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 274 Q C 1.935 177.952 176.000 0.029 0.000 0.984 274 Q CA 1.570 57.426 55.803 0.088 0.000 0.846 274 Q CB -0.253 28.368 28.738 -0.196 0.000 0.902 274 Q HN 0.301 nan 8.270 nan 0.000 0.421 275 I N 0.735 121.283 120.570 -0.037 0.000 2.151 275 I HA -0.318 3.852 4.170 0.000 0.000 0.243 275 I C 1.749 177.866 176.117 0.001 0.000 1.080 275 I CA 1.527 62.792 61.300 -0.058 0.000 1.339 275 I CB -0.519 37.445 38.000 -0.061 0.000 1.039 275 I HN 0.241 nan 8.210 nan 0.000 0.409 276 D N 0.120 120.545 120.400 0.041 0.000 2.116 276 D HA -0.261 4.379 4.640 0.000 0.000 0.193 276 D C 1.938 178.302 176.300 0.106 0.000 0.998 276 D CA 1.570 55.605 54.000 0.059 0.000 0.836 276 D CB -0.478 40.360 40.800 0.064 0.000 0.951 276 D HN 0.368 nan 8.370 nan 0.000 0.449 277 Y N 1.260 121.556 120.300 -0.007 0.000 2.133 277 Y HA -0.107 4.443 4.550 0.000 0.000 0.287 277 Y C 2.217 178.156 175.900 0.064 0.000 1.134 277 Y CA 1.144 59.247 58.100 0.005 0.000 1.133 277 Y CB -0.669 37.776 38.460 -0.025 0.000 0.987 277 Y HN -0.069 nan 8.280 nan 0.000 0.502 278 L N 0.157 121.354 121.223 -0.042 0.000 2.042 278 L HA -0.258 4.082 4.340 0.000 0.000 0.210 278 L C 2.553 179.386 176.870 -0.062 0.000 1.076 278 L CA 2.065 56.844 54.840 -0.101 0.000 0.749 278 L CB -0.669 41.332 42.059 -0.098 0.000 0.893 278 L HN 0.297 nan 8.230 nan 0.000 0.432 279 E N 0.314 120.492 120.200 -0.038 0.000 2.077 279 E HA -0.244 4.107 4.350 0.000 0.000 0.193 279 E C 2.000 178.586 176.600 -0.024 0.000 0.989 279 E CA 1.305 57.688 56.400 -0.029 0.000 0.800 279 E CB 0.108 29.797 29.700 -0.018 0.000 0.746 279 E HN 0.491 nan 8.360 nan 0.000 0.452 280 E N 0.425 120.618 120.200 -0.012 0.000 2.038 280 E HA -0.219 4.131 4.350 0.000 0.000 0.195 280 E C 2.304 178.880 176.600 -0.040 0.000 1.000 280 E CA 1.338 57.731 56.400 -0.012 0.000 0.803 280 E CB -0.159 29.571 29.700 0.050 0.000 0.750 280 E HN 0.303 nan 8.360 nan 0.000 0.448 281 L N 0.585 121.785 121.223 -0.039 0.000 2.013 281 L HA -0.230 4.110 4.340 0.000 0.000 0.212 281 L C 2.551 179.490 176.870 0.115 0.000 1.073 281 L CA 0.920 55.821 54.840 0.102 0.000 0.753 281 L CB -0.526 41.641 42.059 0.179 0.000 0.890 281 L HN 0.073 nan 8.230 nan 0.000 0.432 282 V N 0.131 120.071 119.914 0.043 0.000 2.407 282 V HA -0.270 3.850 4.120 0.000 0.000 0.248 282 V C 2.159 178.243 176.094 -0.016 0.000 1.055 282 V CA 1.849 64.153 62.300 0.007 0.000 1.049 282 V CB -0.631 31.175 31.823 -0.027 0.000 0.662 282 V HN 0.503 nan 8.190 nan 0.000 0.455 283 N N -0.118 118.557 118.700 -0.042 0.000 2.270 283 N HA -0.124 4.617 4.740 0.000 0.000 0.181 283 N C 1.803 177.244 175.510 -0.115 0.000 1.016 283 N CA 1.086 54.098 53.050 -0.063 0.000 0.870 283 N CB -0.191 38.261 38.487 -0.058 0.000 0.979 283 N HN 0.502 nan 8.380 nan 0.000 0.431 284 K N -0.906 119.371 120.400 -0.204 0.000 2.186 284 K HA 0.017 4.337 4.320 0.000 0.000 0.202 284 K C -0.405 175.883 176.600 -0.521 0.000 1.052 284 K CA 0.689 56.705 56.287 -0.453 0.000 0.965 284 K CB 0.278 32.329 32.500 -0.748 0.000 0.746 284 K HN 0.004 nan 8.250 nan 0.000 0.457 285 Y N -0.218 120.075 120.300 -0.011 0.000 2.545 285 Y HA 0.300 4.850 4.550 0.000 0.000 0.348 285 Y C -2.353 173.515 175.900 -0.053 0.000 1.002 285 Y CA -3.159 54.925 58.100 -0.025 0.000 1.039 285 Y CB 1.469 39.935 38.460 0.009 0.000 1.271 285 Y HN -0.058 nan 8.280 nan 0.000 0.467 286 P HA 0.187 nan 4.420 nan 0.000 0.235 286 P C -0.572 176.776 177.300 0.079 0.000 1.765 286 P CA 0.551 63.652 63.100 0.001 0.000 1.034 286 P CB -0.521 31.035 31.700 -0.239 0.000 1.984 287 I N 1.879 122.468 120.570 0.033 0.000 2.315 287 I HA 0.253 4.423 4.170 0.000 0.000 0.291 287 I C 1.693 177.763 176.117 -0.078 0.000 1.006 287 I CA -0.303 60.929 61.300 -0.114 0.000 1.265 287 I CB 1.822 39.650 38.000 -0.286 0.000 1.387 287 I HN 0.085 nan 8.210 nan 0.000 0.475 288 I N 3.739 124.233 120.570 -0.127 0.000 4.181 288 I HA 0.139 4.309 4.170 0.000 0.000 0.331 288 I C 0.365 176.327 176.117 -0.259 0.000 1.312 288 I CA 0.641 61.763 61.300 -0.296 0.000 1.146 288 I CB 0.690 38.291 38.000 -0.664 0.000 1.074 288 I HN 0.592 nan 8.210 nan 0.000 0.402 289 T N 0.975 115.419 114.554 -0.182 0.000 2.993 289 T HA 0.537 4.887 4.350 0.000 0.000 0.312 289 T C -1.233 173.388 174.700 -0.131 0.000 1.115 289 T CA -0.400 61.639 62.100 -0.101 0.000 1.027 289 T CB 1.260 70.136 68.868 0.013 0.000 1.116 289 T HN 0.007 nan 8.240 nan 0.000 0.464 290 I N 3.711 124.225 120.570 -0.093 0.000 2.468 290 I HA 0.408 4.578 4.170 0.000 0.000 0.285 290 I C -0.179 175.897 176.117 -0.069 0.000 1.039 290 I CA -0.774 60.468 61.300 -0.096 0.000 1.074 290 I CB 1.982 39.903 38.000 -0.133 0.000 1.228 290 I HN 0.604 nan 8.210 nan 0.000 0.436 291 E N 5.934 126.104 120.200 -0.051 0.000 2.216 291 E HA 0.150 4.501 4.350 0.000 0.000 0.279 291 E C -0.680 175.893 176.600 -0.045 0.000 0.997 291 E CA -0.390 56.012 56.400 0.004 0.000 0.817 291 E CB 0.860 30.575 29.700 0.026 0.000 1.096 291 E HN 0.517 nan 8.360 nan 0.000 0.393 292 D N 3.069 123.513 120.400 0.073 0.000 2.686 292 D HA -0.174 4.466 4.640 0.000 0.000 0.235 292 D C 0.842 176.972 176.300 -0.284 0.000 1.160 292 D CA 1.044 55.067 54.000 0.038 0.000 0.645 292 D CB -1.163 39.670 40.800 0.056 0.000 1.039 292 D HN 0.744 nan 8.370 nan 0.000 0.423 293 G N -1.136 107.345 108.800 -0.532 0.000 2.448 293 G HA2 -0.117 3.843 3.960 0.000 0.000 0.219 293 G HA3 -0.117 3.843 3.960 0.000 0.000 0.219 293 G C 0.743 175.193 174.900 -0.751 0.000 1.127 293 G CA 0.486 45.219 45.100 -0.612 0.000 0.766 293 G HN 0.246 nan 8.290 nan 0.000 0.552 294 M N -0.142 118.819 119.600 -1.064 0.000 2.724 294 M HA 0.376 4.856 4.480 0.000 0.000 0.310 294 M C -0.949 175.098 176.300 -0.421 0.000 1.217 294 M CA -1.732 53.027 55.300 -0.902 0.000 0.894 294 M CB 1.454 33.240 32.600 -1.358 0.000 1.719 294 M HN -0.003 nan 8.290 nan 0.000 0.479 295 D N 1.001 121.299 120.400 -0.170 0.000 2.400 295 D HA -0.011 4.629 4.640 0.000 0.000 0.238 295 D C 1.241 177.577 176.300 0.059 0.000 1.157 295 D CA 0.257 54.151 54.000 -0.177 0.000 0.889 295 D CB 0.972 41.303 40.800 -0.781 0.000 1.199 295 D HN 0.669 nan 8.370 nan 0.000 0.436 296 E N 1.907 122.173 120.200 0.110 0.000 2.219 296 E HA -0.294 4.056 4.350 0.000 0.000 0.198 296 E C 0.342 177.102 176.600 0.267 0.000 0.998 296 E CA 1.043 57.568 56.400 0.210 0.000 0.818 296 E CB -0.167 29.628 29.700 0.159 0.000 0.741 296 E HN 0.379 nan 8.360 nan 0.000 0.477 297 N N 0.760 119.584 118.700 0.207 0.000 2.184 297 N HA -0.017 4.724 4.740 0.000 0.000 0.206 297 N C -0.392 175.316 175.510 0.330 0.000 1.151 297 N CA 0.172 53.435 53.050 0.355 0.000 0.878 297 N CB 0.493 39.153 38.487 0.288 0.000 1.014 297 N HN 0.118 nan 8.380 nan 0.000 0.512 298 D N -0.089 120.373 120.400 0.105 0.000 2.619 298 D HA 0.036 4.677 4.640 0.000 0.000 0.224 298 D C 0.658 177.083 176.300 0.209 0.000 1.133 298 D CA -0.541 53.505 54.000 0.077 0.000 1.017 298 D CB -0.208 40.480 40.800 -0.186 0.000 1.077 298 D HN 0.032 nan 8.370 nan 0.000 0.503 299 W N 1.172 122.612 121.300 0.234 0.000 2.355 299 W HA -0.113 4.547 4.660 0.000 0.000 0.309 299 W C 1.885 178.529 176.519 0.208 0.000 1.206 299 W CA 0.760 58.270 57.345 0.275 0.000 1.284 299 W CB -0.001 29.590 29.460 0.218 0.000 1.145 299 W HN 0.273 nan 8.180 nan 0.000 0.502 300 D N -0.932 119.670 120.400 0.337 0.000 2.144 300 D HA -0.121 4.520 4.640 0.000 0.000 0.199 300 D C 2.367 178.752 176.300 0.142 0.000 0.984 300 D CA 1.797 55.928 54.000 0.218 0.000 0.834 300 D CB -1.125 39.777 40.800 0.170 0.000 0.955 300 D HN 0.249 nan 8.370 nan 0.000 0.465 301 G N -0.049 108.811 108.800 0.100 0.000 2.421 301 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 301 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 301 G C 1.527 176.345 174.900 -0.136 0.000 1.171 301 G CA 0.440 45.528 45.100 -0.021 0.000 0.775 301 G HN 0.267 nan 8.290 nan 0.000 0.543 302 W N 1.151 122.298 121.300 -0.256 0.000 2.335 302 W HA -0.021 4.639 4.660 0.000 0.000 0.311 302 W C 2.896 179.299 176.519 -0.193 0.000 1.213 302 W CA 1.561 58.662 57.345 -0.408 0.000 1.274 302 W CB 0.055 28.992 29.460 -0.872 0.000 1.148 302 W HN 0.141 nan 8.180 nan 0.000 0.498 303 K N -0.456 120.053 120.400 0.182 0.000 2.057 303 K HA -0.143 4.177 4.320 0.000 0.000 0.207 303 K C 2.210 178.860 176.600 0.083 0.000 1.049 303 K CA 1.450 57.835 56.287 0.163 0.000 0.931 303 K CB -0.664 31.948 32.500 0.188 0.000 0.714 303 K HN 0.141 nan 8.250 nan 0.000 0.440 304 A N 1.611 124.460 122.820 0.048 0.000 1.873 304 A HA -0.147 4.174 4.320 0.000 0.000 0.215 304 A C 2.134 179.701 177.584 -0.028 0.000 1.186 304 A CA 1.055 53.102 52.037 0.016 0.000 0.616 304 A CB -0.580 18.429 19.000 0.015 0.000 0.823 304 A HN 0.226 nan 8.150 nan 0.000 0.442 305 L N 0.137 121.306 121.223 -0.091 0.000 2.013 305 L HA -0.173 4.167 4.340 0.000 0.000 0.212 305 L C 2.441 179.254 176.870 -0.095 0.000 1.073 305 L CA 2.950 57.697 54.840 -0.155 0.000 0.753 305 L CB -1.118 40.738 42.059 -0.339 0.000 0.890 305 L HN 0.402 nan 8.230 nan 0.000 0.432 306 T N -1.043 113.488 114.554 -0.038 0.000 2.821 306 T HA -0.168 4.183 4.350 0.000 0.000 0.267 306 T C 1.753 176.457 174.700 0.007 0.000 1.046 306 T CA 1.443 63.546 62.100 0.005 0.000 1.139 306 T CB -0.222 68.694 68.868 0.079 0.000 0.871 306 T HN 0.437 nan 8.240 nan 0.000 0.454 307 E N 0.610 120.821 120.200 0.019 0.000 2.058 307 E HA -0.149 4.201 4.350 0.000 0.000 0.194 307 E C 2.493 179.093 176.600 -0.000 0.000 0.997 307 E CA 1.004 57.415 56.400 0.019 0.000 0.801 307 E CB -0.031 29.686 29.700 0.028 0.000 0.746 307 E HN 0.251 nan 8.360 nan 0.000 0.450 308 R N -0.220 120.271 120.500 -0.015 0.000 2.093 308 R HA 0.032 4.373 4.340 0.000 0.000 0.224 308 R C 1.872 178.153 176.300 -0.033 0.000 1.101 308 R CA 0.862 56.948 56.100 -0.022 0.000 0.979 308 R CB 0.240 30.523 30.300 -0.028 0.000 0.877 308 R HN 0.129 nan 8.270 nan 0.000 0.441 309 L N -1.844 119.350 121.223 -0.048 0.000 2.781 309 L HA 0.306 4.646 4.340 0.000 0.000 0.245 309 L C 1.898 178.733 176.870 -0.059 0.000 1.118 309 L CA 0.232 55.037 54.840 -0.058 0.000 0.918 309 L CB 0.631 42.642 42.059 -0.080 0.000 1.246 309 L HN 0.307 nan 8.230 nan 0.000 0.526 310 G N 0.534 109.305 108.800 -0.048 0.000 2.479 310 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 310 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 310 G C 1.602 176.473 174.900 -0.047 0.000 1.115 310 G CA 0.515 45.585 45.100 -0.049 0.000 0.757 310 G HN 0.111 nan 8.290 nan 0.000 0.560 311 K N 0.209 120.587 120.400 -0.036 0.000 2.103 311 K HA 0.038 4.358 4.320 0.000 0.000 0.204 311 K C 2.160 178.733 176.600 -0.045 0.000 1.052 311 K CA 0.742 57.011 56.287 -0.030 0.000 0.945 311 K CB -0.077 32.412 32.500 -0.019 0.000 0.722 311 K HN 0.166 nan 8.250 nan 0.000 0.443 312 K N 0.870 121.235 120.400 -0.058 0.000 2.313 312 K HA 0.105 4.425 4.320 0.000 0.000 0.197 312 K C 0.115 176.645 176.600 -0.117 0.000 1.061 312 K CA 0.279 56.519 56.287 -0.079 0.000 0.980 312 K CB 0.609 33.071 32.500 -0.063 0.000 0.888 312 K HN -0.145 nan 8.250 nan 0.000 0.502 313 V N 2.247 122.098 119.914 -0.106 0.000 2.555 313 V HA 0.317 4.438 4.120 0.000 0.000 0.302 313 V C -0.211 175.824 176.094 -0.099 0.000 1.038 313 V CA -0.991 61.233 62.300 -0.126 0.000 0.887 313 V CB 1.677 33.432 31.823 -0.113 0.000 0.991 313 V HN 0.190 nan 8.190 nan 0.000 0.434 314 Q N 3.647 123.396 119.800 -0.084 0.000 2.314 314 Q HA 0.517 4.857 4.340 0.000 0.000 0.258 314 Q C -1.456 174.524 176.000 -0.033 0.000 0.954 314 Q CA -0.197 55.593 55.803 -0.021 0.000 0.890 314 Q CB 0.834 29.637 28.738 0.108 0.000 1.210 314 Q HN 0.709 nan 8.270 nan 0.000 0.410 315 L N 4.877 126.088 121.223 -0.019 0.000 2.377 315 L HA 0.423 4.763 4.340 0.000 0.000 0.270 315 L C -1.127 175.824 176.870 0.136 0.000 0.991 315 L CA -0.944 53.919 54.840 0.038 0.000 0.851 315 L CB 1.719 43.805 42.059 0.045 0.000 1.218 315 L HN 0.443 nan 8.230 nan 0.000 0.420 316 V N 1.848 121.851 119.914 0.149 0.000 2.370 316 V HA 0.469 4.589 4.120 0.000 0.000 0.279 316 V C 0.830 177.059 176.094 0.224 0.000 1.029 316 V CA -0.526 61.873 62.300 0.164 0.000 0.870 316 V CB 1.464 33.346 31.823 0.098 0.000 0.984 316 V HN 0.803 nan 8.190 nan 0.000 0.451 317 G N 2.263 111.134 108.800 0.117 0.000 2.333 317 G HA2 0.380 4.340 3.960 0.000 0.000 0.290 317 G HA3 0.380 4.340 3.960 0.000 0.000 0.290 317 G C 0.053 175.000 174.900 0.079 0.000 1.150 317 G CA -0.053 44.941 45.100 -0.175 0.000 0.895 317 G HN 0.779 nan 8.290 nan 0.000 0.444 318 D N 1.188 121.623 120.400 0.058 0.000 3.013 318 D HA -0.034 4.607 4.640 0.000 0.000 0.256 318 D C 1.442 177.767 176.300 0.042 0.000 1.573 318 D CA 0.218 54.263 54.000 0.074 0.000 1.197 318 D CB 0.194 41.038 40.800 0.073 0.000 1.041 318 D HN 0.184 nan 8.370 nan 0.000 0.304 319 D N -0.314 120.112 120.400 0.044 0.000 2.264 319 D HA -0.097 4.543 4.640 0.000 0.000 0.208 319 D C 1.662 177.966 176.300 0.007 0.000 0.966 319 D CA 0.296 54.315 54.000 0.031 0.000 0.864 319 D CB -0.320 40.516 40.800 0.059 0.000 0.933 319 D HN 0.207 nan 8.370 nan 0.000 0.499 320 F N -0.020 119.754 119.950 -0.294 0.000 2.234 320 F HA -0.125 4.402 4.527 0.000 0.000 0.299 320 F C 1.380 176.906 175.800 -0.457 0.000 1.087 320 F CA 1.105 58.726 58.000 -0.632 0.000 1.340 320 F CB 0.010 38.148 39.000 -1.437 0.000 1.031 320 F HN -0.160 nan 8.300 nan 0.000 0.500 321 F N -0.949 118.866 119.950 -0.225 0.000 2.740 321 F HA 0.203 4.730 4.527 0.000 0.000 0.304 321 F C 1.210 176.872 175.800 -0.231 0.000 1.098 321 F CA 0.344 58.198 58.000 -0.242 0.000 1.258 321 F CB -0.818 38.081 39.000 -0.169 0.000 1.061 321 F HN -0.220 nan 8.300 nan 0.000 0.598 322 V N -0.003 119.907 119.914 -0.008 0.000 5.176 322 V HA -0.369 3.751 4.120 0.000 0.000 0.252 322 V C 0.425 176.492 176.094 -0.044 0.000 0.665 322 V CA 0.663 62.928 62.300 -0.058 0.000 0.654 322 V CB -3.273 28.461 31.823 -0.147 0.000 0.440 322 V HN 0.566 nan 8.190 nan 0.000 0.806 323 T N -1.250 113.309 114.554 0.009 0.000 3.897 323 T HA -0.273 4.078 4.350 0.000 0.000 0.353 323 T C 0.248 174.928 174.700 -0.034 0.000 0.758 323 T CA 1.559 63.651 62.100 -0.013 0.000 1.883 323 T CB -1.590 67.270 68.868 -0.013 0.000 1.849 323 T HN 1.435 nan 8.240 nan 0.000 0.791 324 N N 1.128 119.808 118.700 -0.034 0.000 2.446 324 N HA 0.271 5.011 4.740 0.000 0.000 0.265 324 N C 1.195 176.711 175.510 0.010 0.000 0.975 324 N CA 0.151 53.197 53.050 -0.008 0.000 0.928 324 N CB 1.717 40.166 38.487 -0.062 0.000 1.160 324 N HN 0.321 nan 8.380 nan 0.000 0.495 325 T N 0.176 114.716 114.554 -0.022 0.000 2.881 325 T HA -0.094 4.256 4.350 0.000 0.000 0.270 325 T C 0.859 175.534 174.700 -0.042 0.000 1.068 325 T CA 0.989 63.046 62.100 -0.071 0.000 1.131 325 T CB 0.065 68.891 68.868 -0.070 0.000 0.871 325 T HN 0.346 nan 8.240 nan 0.000 0.479 326 D N 0.572 120.994 120.400 0.036 0.000 2.144 326 D HA -0.036 4.604 4.640 0.000 0.000 0.200 326 D C 1.713 178.017 176.300 0.007 0.000 0.978 326 D CA 1.099 55.108 54.000 0.015 0.000 0.833 326 D CB -0.368 40.459 40.800 0.045 0.000 0.961 326 D HN 0.450 nan 8.370 nan 0.000 0.470 327 Y N 0.521 120.790 120.300 -0.052 0.000 2.184 327 Y HA -0.054 4.497 4.550 0.000 0.000 0.290 327 Y C 2.199 178.104 175.900 0.010 0.000 1.129 327 Y CA 0.274 58.408 58.100 0.056 0.000 1.144 327 Y CB -0.663 37.862 38.460 0.109 0.000 0.995 327 Y HN -0.074 nan 8.280 nan 0.000 0.513 328 L N 0.274 121.392 121.223 -0.175 0.000 2.012 328 L HA -0.166 4.174 4.340 0.000 0.000 0.210 328 L C 2.377 179.031 176.870 -0.360 0.000 1.073 328 L CA 2.073 56.496 54.840 -0.695 0.000 0.748 328 L CB -1.191 40.439 42.059 -0.715 0.000 0.891 328 L HN 0.140 nan 8.230 nan 0.000 0.431 329 A N -0.387 122.306 122.820 -0.213 0.000 1.892 329 A HA -0.301 4.020 4.320 0.000 0.000 0.218 329 A C 2.583 180.115 177.584 -0.086 0.000 1.188 329 A CA 2.144 54.087 52.037 -0.156 0.000 0.631 329 A CB -0.742 18.186 19.000 -0.121 0.000 0.822 329 A HN 0.533 nan 8.150 nan 0.000 0.447 330 R N -0.862 119.611 120.500 -0.047 0.000 2.092 330 R HA -0.091 4.250 4.340 0.000 0.000 0.231 330 R C 2.306 178.764 176.300 0.263 0.000 1.119 330 R CA 1.347 57.442 56.100 -0.008 0.000 0.970 330 R CB -0.605 29.550 30.300 -0.242 0.000 0.864 330 R HN 0.498 nan 8.270 nan 0.000 0.440 331 G N 1.079 110.135 108.800 0.426 0.000 2.421 331 G HA2 -0.237 3.724 3.960 0.000 0.000 0.216 331 G HA3 -0.237 3.724 3.960 0.000 0.000 0.216 331 G C 1.456 176.574 174.900 0.363 0.000 1.171 331 G CA 0.804 46.245 45.100 0.569 0.000 0.775 331 G HN 0.250 nan 8.290 nan 0.000 0.543 332 I N 0.289 120.896 120.570 0.063 0.000 2.163 332 I HA -0.222 3.948 4.170 0.000 0.000 0.243 332 I C 3.020 179.189 176.117 0.086 0.000 1.085 332 I CA 1.122 62.392 61.300 -0.050 0.000 1.347 332 I CB -0.132 37.696 38.000 -0.287 0.000 1.044 332 I HN 0.114 nan 8.210 nan 0.000 0.408 333 Q N 0.448 120.288 119.800 0.066 0.000 2.119 333 Q HA -0.162 4.178 4.340 0.000 0.000 0.201 333 Q C 1.918 177.989 176.000 0.118 0.000 0.972 333 Q CA 1.334 57.176 55.803 0.065 0.000 0.847 333 Q CB -0.242 28.508 28.738 0.021 0.000 0.903 333 Q HN 0.572 nan 8.270 nan 0.000 0.433 334 E N -0.845 119.473 120.200 0.197 0.000 2.478 334 E HA 0.101 4.451 4.350 0.000 0.000 0.194 334 E C 0.515 177.266 176.600 0.252 0.000 1.045 334 E CA 0.536 57.077 56.400 0.236 0.000 0.868 334 E CB 0.443 30.360 29.700 0.362 0.000 0.885 334 E HN 0.444 nan 8.360 nan 0.000 0.505 335 G N 1.745 110.707 108.800 0.268 0.000 2.182 335 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 335 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 335 G C 0.145 175.219 174.900 0.290 0.000 1.042 335 G CA 0.269 45.523 45.100 0.258 0.000 0.775 335 G HN 0.411 nan 8.290 nan 0.000 0.501 336 A N -0.274 122.783 122.820 0.395 0.000 2.288 336 A HA 1.093 5.413 4.320 0.000 0.000 0.320 336 A C 0.971 178.809 177.584 0.424 0.000 1.217 336 A CA 1.179 53.444 52.037 0.379 0.000 0.840 336 A CB 0.891 20.141 19.000 0.417 0.000 1.179 336 A HN 2.593 nan 8.150 nan 0.000 0.504 337 A N 2.275 125.274 122.820 0.297 0.000 6.702 337 A HA -0.044 4.277 4.320 0.000 0.000 0.279 337 A C 0.263 177.711 177.584 -0.227 0.000 2.141 337 A CA 0.865 53.022 52.037 0.199 0.000 0.658 337 A CB -1.010 18.100 19.000 0.183 0.000 1.332 337 A HN 2.428 nan 8.150 nan 0.000 0.388 338 N N -1.139 117.301 118.700 -0.433 0.000 2.301 338 N HA 0.499 5.239 4.740 0.000 0.000 0.247 338 N C -0.424 174.706 175.510 -0.633 0.000 1.347 338 N CA 0.951 53.409 53.050 -0.986 0.000 0.844 338 N CB 0.815 39.026 38.487 -0.459 0.000 1.332 338 N HN 1.767 nan 8.380 nan 0.000 0.494 339 S N -0.186 115.381 115.700 -0.221 0.000 2.552 339 S HA 0.635 5.106 4.470 0.000 0.000 0.272 339 S C -2.171 172.591 174.600 0.270 0.000 1.150 339 S CA -0.847 57.376 58.200 0.038 0.000 0.849 339 S CB 0.918 64.102 63.200 -0.026 0.000 1.113 339 S HN 0.282 nan 8.310 nan 0.000 0.458 340 I N 3.148 123.839 120.570 0.201 0.000 2.582 340 I HA 0.576 4.746 4.170 0.000 0.000 0.292 340 I C -1.539 174.648 176.117 0.116 0.000 1.066 340 I CA -1.090 60.352 61.300 0.236 0.000 1.053 340 I CB 1.496 39.544 38.000 0.079 0.000 1.241 340 I HN 0.687 nan 8.210 nan 0.000 0.421 341 L N 8.367 129.671 121.223 0.135 0.000 2.313 341 L HA 0.371 4.711 4.340 0.000 0.000 0.282 341 L C -0.579 176.318 176.870 0.045 0.000 1.092 341 L CA 0.079 54.961 54.840 0.071 0.000 0.831 341 L CB 0.560 42.666 42.059 0.078 0.000 1.159 341 L HN 0.362 nan 8.230 nan 0.000 0.442 342 I N 5.813 126.386 120.570 0.005 0.000 2.291 342 I HA 0.213 4.383 4.170 0.000 0.000 0.290 342 I C 0.082 176.194 176.117 -0.008 0.000 1.050 342 I CA -0.291 60.998 61.300 -0.017 0.000 1.245 342 I CB 0.513 38.477 38.000 -0.060 0.000 1.405 342 I HN 0.554 nan 8.210 nan 0.000 0.478 343 K N 5.391 125.792 120.400 0.003 0.000 2.292 343 K HA 0.242 4.563 4.320 0.000 0.000 0.270 343 K C 1.383 177.984 176.600 0.001 0.000 1.062 343 K CA -0.346 55.945 56.287 0.007 0.000 0.916 343 K CB 1.978 34.485 32.500 0.012 0.000 1.166 343 K HN 0.479 nan 8.250 nan 0.000 0.458 344 V N 0.788 120.703 119.914 0.003 0.000 2.317 344 V HA -0.357 3.763 4.120 0.000 0.000 0.251 344 V C 1.716 177.811 176.094 0.003 0.000 1.065 344 V CA 2.125 64.430 62.300 0.010 0.000 1.049 344 V CB -0.604 31.231 31.823 0.020 0.000 0.651 344 V HN 0.871 nan 8.190 nan 0.000 0.450 345 N N 0.436 119.134 118.700 -0.004 0.000 2.467 345 N HA -0.150 4.590 4.740 0.000 0.000 0.184 345 N C 1.818 177.319 175.510 -0.014 0.000 1.106 345 N CA 1.418 54.461 53.050 -0.011 0.000 0.892 345 N CB -0.126 38.351 38.487 -0.016 0.000 0.969 345 N HN 0.760 nan 8.380 nan 0.000 0.454 346 Q N -0.520 119.273 119.800 -0.011 0.000 2.311 346 Q HA 0.099 4.439 4.340 0.000 0.000 0.203 346 Q C 1.244 177.233 176.000 -0.019 0.000 0.954 346 Q CA 0.571 56.364 55.803 -0.016 0.000 0.885 346 Q CB 0.149 28.878 28.738 -0.014 0.000 0.963 346 Q HN 0.341 nan 8.270 nan 0.000 0.471 347 I N -2.157 118.405 120.570 -0.013 0.000 3.194 347 I HA 0.279 4.449 4.170 0.000 0.000 0.271 347 I C 1.224 177.335 176.117 -0.010 0.000 1.150 347 I CA 1.516 62.809 61.300 -0.011 0.000 1.440 347 I CB 0.931 38.927 38.000 -0.007 0.000 1.276 347 I HN 0.233 nan 8.210 nan 0.000 0.457 348 G N 0.231 109.026 108.800 -0.008 0.000 2.201 348 G HA2 -0.173 3.787 3.960 0.000 0.000 0.212 348 G HA3 -0.173 3.787 3.960 0.000 0.000 0.212 348 G C 0.493 175.384 174.900 -0.015 0.000 0.994 348 G CA 0.338 45.429 45.100 -0.014 0.000 0.644 348 G HN 0.750 nan 8.290 nan 0.000 0.508 349 T N -1.874 112.677 114.554 -0.006 0.000 2.903 349 T HA 0.708 5.058 4.350 0.000 0.000 0.299 349 T C 1.305 176.017 174.700 0.020 0.000 1.093 349 T CA -0.240 61.854 62.100 -0.010 0.000 1.002 349 T CB 1.937 70.791 68.868 -0.024 0.000 1.127 349 T HN 0.192 nan 8.240 nan 0.000 0.488 350 L N 0.674 121.905 121.223 0.012 0.000 2.046 350 L HA -0.076 4.264 4.340 0.000 0.000 0.208 350 L C 2.977 179.884 176.870 0.061 0.000 1.077 350 L CA 1.563 56.437 54.840 0.055 0.000 0.747 350 L CB -0.977 41.060 42.059 -0.037 0.000 0.896 350 L HN 0.835 nan 8.230 nan 0.000 0.432 351 T N -0.553 113.987 114.554 -0.023 0.000 2.684 351 T HA -0.221 4.129 4.350 0.000 0.000 0.267 351 T C 1.727 176.460 174.700 0.054 0.000 1.036 351 T CA 1.616 63.703 62.100 -0.022 0.000 1.148 351 T CB -0.191 68.647 68.868 -0.050 0.000 0.863 351 T HN 0.409 nan 8.240 nan 0.000 0.436 352 E N 0.321 120.544 120.200 0.038 0.000 2.150 352 E HA -0.074 4.276 4.350 0.000 0.000 0.193 352 E C 2.428 179.062 176.600 0.057 0.000 0.985 352 E CA 1.145 57.566 56.400 0.034 0.000 0.814 352 E CB -0.182 29.524 29.700 0.010 0.000 0.752 352 E HN 0.385 nan 8.360 nan 0.000 0.466 353 T N 0.719 115.333 114.554 0.100 0.000 2.684 353 T HA -0.150 4.200 4.350 0.000 0.000 0.267 353 T C 1.414 176.169 174.700 0.092 0.000 1.036 353 T CA 1.112 63.270 62.100 0.097 0.000 1.148 353 T CB -0.310 68.648 68.868 0.150 0.000 0.863 353 T HN 0.086 nan 8.240 nan 0.000 0.436 354 F N 1.538 121.461 119.950 -0.045 0.000 2.186 354 F HA 0.035 4.562 4.527 0.000 0.000 0.299 354 F C 2.434 178.201 175.800 -0.054 0.000 1.090 354 F CA 0.625 58.595 58.000 -0.049 0.000 1.307 354 F CB -0.517 38.451 39.000 -0.053 0.000 1.019 354 F HN 0.244 nan 8.300 nan 0.000 0.489 355 E N -0.051 120.222 120.200 0.123 0.000 2.085 355 E HA -0.228 4.122 4.350 0.000 0.000 0.194 355 E C 2.425 179.010 176.600 -0.024 0.000 0.994 355 E CA 1.107 57.525 56.400 0.030 0.000 0.801 355 E CB -0.348 29.360 29.700 0.015 0.000 0.743 355 E HN 0.367 nan 8.360 nan 0.000 0.453 356 A N 1.229 124.027 122.820 -0.036 0.000 1.877 356 A HA -0.185 4.135 4.320 0.000 0.000 0.216 356 A C 2.186 179.706 177.584 -0.107 0.000 1.186 356 A CA 1.145 53.131 52.037 -0.084 0.000 0.620 356 A CB -0.628 18.324 19.000 -0.080 0.000 0.822 356 A HN 0.142 nan 8.150 nan 0.000 0.443 357 I N -0.624 119.875 120.570 -0.119 0.000 2.163 357 I HA -0.294 3.876 4.170 0.000 0.000 0.243 357 I C 2.610 178.666 176.117 -0.102 0.000 1.085 357 I CA 2.009 63.224 61.300 -0.143 0.000 1.347 357 I CB -0.306 37.537 38.000 -0.262 0.000 1.044 357 I HN 0.561 nan 8.210 nan 0.000 0.408 358 E N 0.959 121.109 120.200 -0.083 0.000 2.107 358 E HA -0.263 4.087 4.350 0.000 0.000 0.191 358 E C 2.345 178.902 176.600 -0.071 0.000 0.982 358 E CA 1.008 57.371 56.400 -0.062 0.000 0.809 358 E CB -0.056 29.626 29.700 -0.031 0.000 0.756 358 E HN 0.396 nan 8.360 nan 0.000 0.459 359 M N 0.373 119.919 119.600 -0.089 0.000 2.108 359 M HA -0.182 4.299 4.480 0.000 0.000 0.261 359 M C 2.212 178.419 176.300 -0.156 0.000 1.066 359 M CA 1.956 57.182 55.300 -0.123 0.000 1.107 359 M CB -0.127 32.386 32.600 -0.145 0.000 1.356 359 M HN 0.215 nan 8.290 nan 0.000 0.406 360 A N 0.670 123.403 122.820 -0.146 0.000 1.877 360 A HA -0.195 4.126 4.320 0.000 0.000 0.216 360 A C 2.093 179.693 177.584 0.027 0.000 1.186 360 A CA 1.996 53.967 52.037 -0.110 0.000 0.620 360 A CB -0.665 18.308 19.000 -0.045 0.000 0.822 360 A HN 0.587 nan 8.150 nan 0.000 0.443 361 K N -0.315 120.104 120.400 0.033 0.000 2.009 361 K HA -0.188 4.132 4.320 0.000 0.000 0.210 361 K C 1.895 178.505 176.600 0.016 0.000 1.049 361 K CA 1.751 58.075 56.287 0.060 0.000 0.929 361 K CB -0.274 32.198 32.500 -0.047 0.000 0.714 361 K HN 0.619 nan 8.250 nan 0.000 0.440 362 E N 0.027 120.206 120.200 -0.034 0.000 2.267 362 E HA -0.164 4.186 4.350 0.000 0.000 0.197 362 E C 1.481 178.069 176.600 -0.019 0.000 0.998 362 E CA 0.879 57.254 56.400 -0.041 0.000 0.830 362 E CB -0.003 29.663 29.700 -0.057 0.000 0.751 362 E HN 0.316 nan 8.360 nan 0.000 0.491 363 A N 0.042 122.850 122.820 -0.019 0.000 2.308 363 A HA 0.343 4.663 4.320 0.000 0.000 0.217 363 A C 1.614 179.322 177.584 0.207 0.000 1.216 363 A CA 0.586 52.624 52.037 0.003 0.000 0.864 363 A CB 0.035 18.884 19.000 -0.251 0.000 0.902 363 A HN 0.280 nan 8.150 nan 0.000 0.499 364 G N -1.897 107.052 108.800 0.248 0.000 2.136 364 G HA2 -0.268 3.692 3.960 0.000 0.000 0.242 364 G HA3 -0.268 3.692 3.960 0.000 0.000 0.242 364 G C -0.212 174.957 174.900 0.447 0.000 0.989 364 G CA 0.356 45.672 45.100 0.360 0.000 0.682 364 G HN 0.353 nan 8.290 nan 0.000 0.522 365 Y N 1.378 121.760 120.300 0.138 0.000 2.352 365 Y HA 0.593 5.143 4.550 0.000 0.000 0.326 365 Y C 1.376 177.253 175.900 -0.038 0.000 1.166 365 Y CA -0.668 57.442 58.100 0.018 0.000 1.182 365 Y CB 1.257 39.713 38.460 -0.007 0.000 1.216 365 Y HN 0.298 nan 8.280 nan 0.000 0.474 366 T N -0.414 114.051 114.554 -0.147 0.000 2.904 366 T HA 0.754 5.104 4.350 0.000 0.000 0.290 366 T C -0.250 174.408 174.700 -0.071 0.000 1.018 366 T CA -0.811 61.119 62.100 -0.283 0.000 1.075 366 T CB 1.203 69.756 68.868 -0.524 0.000 0.986 366 T HN 0.770 nan 8.240 nan 0.000 0.523 367 A N 2.191 124.971 122.820 -0.067 0.000 2.285 367 A HA 0.628 4.948 4.320 0.000 0.000 0.310 367 A C -0.440 177.086 177.584 -0.097 0.000 1.266 367 A CA -0.823 51.178 52.037 -0.060 0.000 0.832 367 A CB 0.819 19.776 19.000 -0.071 0.000 1.163 367 A HN 0.807 nan 8.150 nan 0.000 0.499 368 V N 4.425 124.294 119.914 -0.076 0.000 2.311 368 V HA 0.196 4.316 4.120 0.000 0.000 0.275 368 V C 0.194 176.251 176.094 -0.062 0.000 1.022 368 V CA -0.495 61.755 62.300 -0.083 0.000 0.830 368 V CB 1.086 32.871 31.823 -0.063 0.000 1.012 368 V HN 0.635 nan 8.190 nan 0.000 0.452 369 V N 4.289 124.153 119.914 -0.083 0.000 2.572 369 V HA 0.340 4.460 4.120 0.000 0.000 0.291 369 V C 0.585 176.645 176.094 -0.057 0.000 1.039 369 V CA 0.451 62.706 62.300 -0.075 0.000 1.055 369 V CB 1.383 33.146 31.823 -0.100 0.000 0.969 369 V HN 0.859 nan 8.190 nan 0.000 0.482 370 S N 2.699 118.387 115.700 -0.020 0.000 2.548 370 S HA 0.523 4.993 4.470 0.000 0.000 0.286 370 S C -0.384 174.274 174.600 0.096 0.000 1.098 370 S CA -0.860 57.358 58.200 0.030 0.000 0.930 370 S CB 0.973 64.219 63.200 0.075 0.000 1.070 370 S HN 1.007 nan 8.310 nan 0.000 0.480 371 H N 2.070 121.108 119.070 -0.052 0.000 2.639 371 H HA 0.637 5.193 4.556 0.000 0.000 0.373 371 H C -0.023 175.286 175.328 -0.033 0.000 1.372 371 H CA -0.990 55.026 56.048 -0.053 0.000 1.448 371 H CB 0.455 30.174 29.762 -0.072 0.000 1.544 371 H HN 0.300 nan 8.280 nan 0.000 0.615 372 R N 0.039 120.488 120.500 -0.086 0.000 2.902 372 R HA 0.212 4.553 4.340 0.000 0.000 0.258 372 R C 1.091 177.209 176.300 -0.303 0.000 1.071 372 R CA -0.821 55.176 56.100 -0.173 0.000 1.024 372 R CB 1.444 31.700 30.300 -0.074 0.000 1.184 372 R HN 0.774 nan 8.270 nan 0.000 0.492 373 S N 0.133 115.706 115.700 -0.212 0.000 2.370 373 S HA -0.082 4.389 4.470 0.000 0.000 0.226 373 S C 1.115 175.660 174.600 -0.092 0.000 1.033 373 S CA 1.551 59.658 58.200 -0.155 0.000 1.011 373 S CB -0.137 63.046 63.200 -0.028 0.000 0.852 373 S HN 0.727 nan 8.310 nan 0.000 0.457 374 G N 2.306 111.068 108.800 -0.064 0.000 2.404 374 G HA2 0.480 4.440 3.960 0.000 0.000 0.316 374 G HA3 0.480 4.440 3.960 0.000 0.000 0.316 374 G C -0.343 174.529 174.900 -0.047 0.000 1.074 374 G CA -0.355 44.721 45.100 -0.041 0.000 0.989 374 G HN 0.027 nan 8.290 nan 0.000 0.430 375 E N 0.399 120.576 120.200 -0.038 0.000 2.303 375 E HA 0.683 5.033 4.350 0.000 0.000 0.254 375 E C 0.452 177.041 176.600 -0.018 0.000 0.979 375 E CA -0.375 56.008 56.400 -0.027 0.000 0.843 375 E CB 2.086 31.776 29.700 -0.017 0.000 1.245 375 E HN 0.583 nan 8.360 nan 0.000 0.413 376 T N -2.879 111.666 114.554 -0.014 0.000 2.716 376 T HA 0.223 4.573 4.350 0.000 0.000 0.286 376 T C 0.714 175.411 174.700 -0.005 0.000 1.052 376 T CA -0.672 61.422 62.100 -0.009 0.000 1.024 376 T CB 0.939 69.800 68.868 -0.012 0.000 1.349 376 T HN 0.386 nan 8.240 nan 0.000 0.525 377 E N 0.229 120.430 120.200 0.002 0.000 2.516 377 E HA -0.019 4.331 4.350 0.000 0.000 0.199 377 E C 0.138 176.741 176.600 0.004 0.000 1.069 377 E CA 0.180 56.584 56.400 0.007 0.000 0.876 377 E CB -0.585 29.125 29.700 0.017 0.000 0.843 377 E HN 0.773 nan 8.360 nan 0.000 0.530 378 D N 1.404 121.803 120.400 -0.002 0.000 2.399 378 D HA 0.003 4.643 4.640 0.000 0.000 0.241 378 D C 0.325 176.618 176.300 -0.012 0.000 1.133 378 D CA 0.430 54.427 54.000 -0.005 0.000 0.890 378 D CB 0.840 41.634 40.800 -0.010 0.000 1.201 378 D HN 0.017 nan 8.370 nan 0.000 0.432 379 S N 0.591 116.285 115.700 -0.010 0.000 2.855 379 S HA 0.086 4.557 4.470 0.000 0.000 0.249 379 S C 1.257 175.849 174.600 -0.012 0.000 1.033 379 S CA -0.529 57.658 58.200 -0.021 0.000 1.038 379 S CB 0.313 63.502 63.200 -0.019 0.000 0.960 379 S HN 0.457 nan 8.310 nan 0.000 0.548 380 T N 3.625 118.179 114.554 -0.001 0.000 2.737 380 T HA -0.111 4.240 4.350 0.000 0.000 0.269 380 T C 1.770 176.481 174.700 0.019 0.000 1.040 380 T CA 1.928 64.040 62.100 0.019 0.000 1.142 380 T CB -0.713 68.166 68.868 0.019 0.000 0.861 380 T HN 0.799 nan 8.240 nan 0.000 0.456 381 I N 0.279 120.845 120.570 -0.008 0.000 2.454 381 I HA -0.025 4.145 4.170 0.000 0.000 0.254 381 I C 2.670 178.755 176.117 -0.052 0.000 1.156 381 I CA 1.217 62.502 61.300 -0.026 0.000 1.433 381 I CB -0.698 37.277 38.000 -0.042 0.000 1.082 381 I HN 0.116 nan 8.210 nan 0.000 0.432 382 A N 1.924 124.705 122.820 -0.066 0.000 1.883 382 A HA -0.257 4.063 4.320 0.000 0.000 0.217 382 A C 1.817 179.364 177.584 -0.062 0.000 1.186 382 A CA 2.454 54.433 52.037 -0.097 0.000 0.624 382 A CB -1.030 17.904 19.000 -0.109 0.000 0.822 382 A HN 0.534 nan 8.150 nan 0.000 0.444 383 D N -0.235 120.173 120.400 0.014 0.000 2.144 383 D HA -0.094 4.546 4.640 0.000 0.000 0.199 383 D C 1.728 178.095 176.300 0.112 0.000 0.984 383 D CA 1.210 55.274 54.000 0.106 0.000 0.834 383 D CB -0.222 40.678 40.800 0.166 0.000 0.955 383 D HN 0.529 nan 8.370 nan 0.000 0.465 384 I N 0.838 121.455 120.570 0.078 0.000 2.226 384 I HA -0.269 3.902 4.170 0.000 0.000 0.245 384 I C 2.419 178.490 176.117 -0.077 0.000 1.100 384 I CA 0.974 62.305 61.300 0.052 0.000 1.374 384 I CB -0.277 37.730 38.000 0.012 0.000 1.057 384 I HN 0.003 nan 8.210 nan 0.000 0.413 385 A N 0.287 123.051 122.820 -0.093 0.000 1.933 385 A HA -0.133 4.187 4.320 0.000 0.000 0.218 385 A C 2.401 179.913 177.584 -0.121 0.000 1.175 385 A CA 1.742 53.702 52.037 -0.129 0.000 0.628 385 A CB -0.803 18.119 19.000 -0.130 0.000 0.814 385 A HN 0.261 nan 8.150 nan 0.000 0.444 386 V N -0.461 119.389 119.914 -0.105 0.000 2.407 386 V HA -0.112 4.008 4.120 0.000 0.000 0.245 386 V C 3.009 179.079 176.094 -0.039 0.000 1.041 386 V CA 1.443 63.668 62.300 -0.125 0.000 1.040 386 V CB -1.122 30.551 31.823 -0.251 0.000 0.671 386 V HN 0.590 nan 8.190 nan 0.000 0.455 387 A N 0.968 123.824 122.820 0.061 0.000 1.948 387 A HA -0.263 4.057 4.320 0.000 0.000 0.220 387 A C 2.271 179.890 177.584 0.057 0.000 1.177 387 A CA 2.688 54.808 52.037 0.140 0.000 0.636 387 A CB -0.823 18.348 19.000 0.285 0.000 0.815 387 A HN 0.645 nan 8.150 nan 0.000 0.449 388 T N -4.488 110.033 114.554 -0.055 0.000 3.105 388 T HA 0.158 4.508 4.350 0.000 0.000 0.253 388 T C 0.415 175.047 174.700 -0.113 0.000 1.047 388 T CA 0.278 62.307 62.100 -0.119 0.000 0.944 388 T CB -0.264 68.423 68.868 -0.302 0.000 1.016 388 T HN 0.422 nan 8.240 nan 0.000 0.544 389 N N 1.056 119.697 118.700 -0.099 0.000 2.710 389 N HA -0.206 4.535 4.740 0.000 0.000 0.249 389 N C 1.079 176.535 175.510 -0.091 0.000 1.059 389 N CA 0.758 53.748 53.050 -0.099 0.000 0.720 389 N CB -1.394 37.031 38.487 -0.103 0.000 0.983 389 N HN 0.725 nan 8.380 nan 0.000 0.544 390 A N -0.183 122.573 122.820 -0.105 0.000 1.972 390 A HA 0.255 4.575 4.320 0.000 0.000 0.219 390 A C 2.098 179.635 177.584 -0.078 0.000 1.169 390 A CA 2.385 54.370 52.037 -0.086 0.000 0.635 390 A CB -0.326 18.596 19.000 -0.130 0.000 0.810 390 A HN 1.355 nan 8.150 nan 0.000 0.446 391 G N -2.653 106.076 108.800 -0.119 0.000 2.213 391 G HA2 -0.198 3.762 3.960 0.000 0.000 0.236 391 G HA3 -0.198 3.762 3.960 0.000 0.000 0.236 391 G C 0.058 174.822 174.900 -0.227 0.000 0.991 391 G CA 0.414 45.414 45.100 -0.166 0.000 0.629 391 G HN 0.724 nan 8.290 nan 0.000 0.517 392 Q N -0.846 118.835 119.800 -0.199 0.000 2.482 392 Q HA 0.778 5.118 4.340 0.000 0.000 0.286 392 Q C -1.258 174.675 176.000 -0.112 0.000 1.007 392 Q CA -0.713 54.984 55.803 -0.178 0.000 0.801 392 Q CB 2.984 31.551 28.738 -0.285 0.000 1.455 392 Q HN 0.440 nan 8.270 nan 0.000 0.398 393 I N 0.560 121.095 120.570 -0.058 0.000 2.827 393 I HA 0.453 4.623 4.170 0.000 0.000 0.298 393 I C -1.940 174.149 176.117 -0.048 0.000 1.235 393 I CA -0.540 60.725 61.300 -0.058 0.000 1.021 393 I CB 2.152 40.121 38.000 -0.052 0.000 1.259 393 I HN 0.503 nan 8.210 nan 0.000 0.427 394 K N 4.181 124.514 120.400 -0.111 0.000 2.616 394 K HA 0.393 4.714 4.320 0.000 0.000 0.241 394 K C -0.904 175.408 176.600 -0.481 0.000 0.961 394 K CA -0.236 55.939 56.287 -0.185 0.000 0.942 394 K CB 1.412 33.853 32.500 -0.098 0.000 1.153 394 K HN 0.626 nan 8.250 nan 0.000 0.452 395 T N 1.985 116.190 114.554 -0.582 0.000 3.475 395 T HA 0.382 4.733 4.350 0.000 0.000 0.310 395 T C -0.045 174.290 174.700 -0.609 0.000 0.963 395 T CA 0.439 62.056 62.100 -0.804 0.000 0.985 395 T CB 0.052 68.622 68.868 -0.497 0.000 1.198 395 T HN 0.957 nan 8.240 nan 0.000 0.508 396 G N 0.814 109.350 108.800 -0.440 0.000 2.422 396 G HA2 0.079 4.040 3.960 0.000 0.000 0.607 396 G HA3 0.079 4.040 3.960 0.000 0.000 0.607 396 G C -0.187 174.780 174.900 0.111 0.000 1.270 396 G CA -0.205 44.903 45.100 0.014 0.000 0.992 396 G HN 0.466 nan 8.290 nan 0.000 0.499 397 S N -1.785 113.949 115.700 0.056 0.000 2.596 397 S HA 0.593 5.064 4.470 0.000 0.000 0.262 397 S C 1.210 175.701 174.600 -0.182 0.000 1.218 397 S CA -0.256 57.900 58.200 -0.074 0.000 0.998 397 S CB 0.287 63.398 63.200 -0.149 0.000 1.060 397 S HN 0.842 nan 8.310 nan 0.000 0.552 398 L N 2.078 122.880 121.223 -0.701 0.000 2.848 398 L HA 0.340 4.680 4.340 0.000 0.000 0.240 398 L C 0.375 176.765 176.870 -0.799 0.000 1.232 398 L CA 0.194 54.578 54.840 -0.760 0.000 1.031 398 L CB -1.211 40.327 42.059 -0.869 0.000 1.338 398 L HN 0.670 nan 8.230 nan 0.000 0.509 399 S N -0.306 115.052 115.700 -0.571 0.000 2.627 399 S HA 0.815 5.286 4.470 0.000 0.000 0.283 399 S C -0.539 174.009 174.600 -0.085 0.000 1.127 399 S CA -0.771 57.297 58.200 -0.221 0.000 0.863 399 S CB 2.942 66.103 63.200 -0.064 0.000 1.121 399 S HN 0.313 nan 8.310 nan 0.000 0.479 400 R N -0.027 120.468 120.500 -0.008 0.000 1.124 400 R HA -0.090 4.250 4.340 0.000 0.000 0.425 400 R C 0.214 176.523 176.300 0.015 0.000 1.336 400 R CA 0.489 56.597 56.100 0.014 0.000 0.984 400 R CB -1.895 28.412 30.300 0.012 0.000 3.079 400 R HN 0.882 nan 8.270 nan 0.000 0.509 401 T N 1.465 116.034 114.554 0.025 0.000 2.881 401 T HA -0.152 4.199 4.350 0.000 0.000 0.270 401 T C 1.430 176.135 174.700 0.008 0.000 1.068 401 T CA 1.710 63.824 62.100 0.024 0.000 1.131 401 T CB -0.214 68.672 68.868 0.030 0.000 0.871 401 T HN 0.687 nan 8.240 nan 0.000 0.479 402 D N 1.310 121.714 120.400 0.006 0.000 2.228 402 D HA -0.169 4.471 4.640 0.000 0.000 0.203 402 D C 1.986 178.273 176.300 -0.022 0.000 0.988 402 D CA 0.864 54.862 54.000 -0.003 0.000 0.864 402 D CB -0.075 40.727 40.800 0.003 0.000 0.928 402 D HN 0.338 nan 8.370 nan 0.000 0.469 403 R N 0.095 120.577 120.500 -0.031 0.000 2.087 403 R HA 0.167 4.507 4.340 0.000 0.000 0.213 403 R C 2.540 178.734 176.300 -0.175 0.000 1.137 403 R CA -0.123 55.913 56.100 -0.107 0.000 1.022 403 R CB -0.689 29.590 30.300 -0.034 0.000 0.920 403 R HN 0.191 nan 8.270 nan 0.000 0.451 404 I N 1.989 122.557 120.570 -0.004 0.000 2.361 404 I HA -0.135 4.035 4.170 0.000 0.000 0.251 404 I C 2.379 178.529 176.117 0.056 0.000 1.133 404 I CA 1.211 62.578 61.300 0.112 0.000 1.413 404 I CB -1.365 36.700 38.000 0.108 0.000 1.073 404 I HN 0.042 nan 8.210 nan 0.000 0.424 405 A N 1.091 123.912 122.820 0.001 0.000 1.948 405 A HA -0.257 4.063 4.320 0.000 0.000 0.220 405 A C 2.282 179.848 177.584 -0.030 0.000 1.177 405 A CA 1.893 53.929 52.037 -0.001 0.000 0.636 405 A CB -0.428 18.567 19.000 -0.008 0.000 0.815 405 A HN 0.263 nan 8.150 nan 0.000 0.449 406 K N -1.090 119.235 120.400 -0.126 0.000 2.062 406 K HA -0.029 4.291 4.320 0.000 0.000 0.205 406 K C 1.675 178.208 176.600 -0.112 0.000 1.051 406 K CA 1.415 57.593 56.287 -0.181 0.000 0.941 406 K CB -0.594 31.717 32.500 -0.316 0.000 0.719 406 K HN 0.577 nan 8.250 nan 0.000 0.440 407 Y N 1.472 121.794 120.300 0.037 0.000 2.181 407 Y HA -0.142 4.408 4.550 0.000 0.000 0.288 407 Y C 1.859 177.840 175.900 0.135 0.000 1.146 407 Y CA 0.871 59.057 58.100 0.142 0.000 1.164 407 Y CB -0.687 37.864 38.460 0.151 0.000 0.982 407 Y HN 0.117 nan 8.280 nan 0.000 0.515 408 N N 0.027 118.858 118.700 0.219 0.000 2.120 408 N HA -0.185 4.555 4.740 0.000 0.000 0.188 408 N C 1.910 177.473 175.510 0.087 0.000 1.024 408 N CA 1.367 54.502 53.050 0.142 0.000 0.852 408 N CB -0.541 38.005 38.487 0.098 0.000 1.003 408 N HN 0.339 nan 8.380 nan 0.000 0.424 409 Q N 1.013 120.838 119.800 0.042 0.000 2.084 409 Q HA 0.025 4.366 4.340 0.000 0.000 0.202 409 Q C 2.021 177.995 176.000 -0.044 0.000 0.978 409 Q CA 1.158 56.965 55.803 0.007 0.000 0.844 409 Q CB -0.427 28.306 28.738 -0.009 0.000 0.898 409 Q HN 0.385 nan 8.270 nan 0.000 0.426 410 L N -0.381 120.771 121.223 -0.117 0.000 2.079 410 L HA -0.207 4.133 4.340 0.000 0.000 0.210 410 L C 2.321 179.081 176.870 -0.184 0.000 1.081 410 L CA 0.978 55.610 54.840 -0.346 0.000 0.752 410 L CB -0.495 41.035 42.059 -0.882 0.000 0.896 410 L HN 0.292 nan 8.230 nan 0.000 0.433 411 L N -0.744 120.521 121.223 0.070 0.000 2.046 411 L HA -0.198 4.142 4.340 0.000 0.000 0.208 411 L C 2.879 179.787 176.870 0.063 0.000 1.077 411 L CA 1.275 56.203 54.840 0.147 0.000 0.747 411 L CB -0.493 41.663 42.059 0.162 0.000 0.896 411 L HN 0.225 nan 8.230 nan 0.000 0.432 412 R N 0.108 120.634 120.500 0.043 0.000 2.073 412 R HA -0.138 4.202 4.340 0.000 0.000 0.234 412 R C 2.267 178.582 176.300 0.024 0.000 1.134 412 R CA 1.397 57.522 56.100 0.043 0.000 0.952 412 R CB -0.489 29.844 30.300 0.055 0.000 0.850 412 R HN 0.330 nan 8.270 nan 0.000 0.433 413 I N 0.782 121.330 120.570 -0.037 0.000 2.226 413 I HA -0.255 3.915 4.170 0.000 0.000 0.245 413 I C 2.642 178.672 176.117 -0.145 0.000 1.100 413 I CA 1.299 62.512 61.300 -0.144 0.000 1.374 413 I CB -0.288 37.500 38.000 -0.354 0.000 1.057 413 I HN 0.272 nan 8.210 nan 0.000 0.413 414 E N 0.935 121.074 120.200 -0.101 0.000 2.085 414 E HA -0.315 4.035 4.350 0.000 0.000 0.194 414 E C 1.796 178.398 176.600 0.003 0.000 0.994 414 E CA 1.812 58.188 56.400 -0.039 0.000 0.801 414 E CB 0.003 29.722 29.700 0.031 0.000 0.743 414 E HN 0.347 nan 8.360 nan 0.000 0.453 415 D N 0.171 120.585 120.400 0.022 0.000 2.104 415 D HA -0.226 4.414 4.640 0.000 0.000 0.194 415 D C 1.960 178.286 176.300 0.043 0.000 0.994 415 D CA 1.355 55.377 54.000 0.036 0.000 0.830 415 D CB -0.159 40.667 40.800 0.043 0.000 0.959 415 D HN 0.225 nan 8.370 nan 0.000 0.452 416 Q N -0.531 119.302 119.800 0.056 0.000 2.124 416 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 416 Q C 2.383 178.437 176.000 0.090 0.000 0.977 416 Q CA 0.790 56.646 55.803 0.089 0.000 0.850 416 Q CB -0.077 28.751 28.738 0.151 0.000 0.901 416 Q HN 0.350 nan 8.270 nan 0.000 0.429 417 L N -0.260 120.997 121.223 0.058 0.000 2.275 417 L HA -0.054 4.287 4.340 0.000 0.000 0.215 417 L C 1.537 178.436 176.870 0.047 0.000 1.119 417 L CA 0.548 55.419 54.840 0.052 0.000 0.790 417 L CB -0.796 41.255 42.059 -0.013 0.000 0.919 417 L HN 0.539 nan 8.230 nan 0.000 0.443 418 G N 0.286 109.110 108.800 0.040 0.000 2.611 418 G HA2 -0.369 3.591 3.960 0.000 0.000 0.301 418 G HA3 -0.369 3.591 3.960 0.000 0.000 0.301 418 G C 0.738 175.659 174.900 0.035 0.000 1.233 418 G CA 0.399 45.522 45.100 0.038 0.000 0.993 418 G HN 0.265 nan 8.290 nan 0.000 0.553 419 E N 0.212 120.434 120.200 0.036 0.000 2.338 419 E HA 0.029 4.380 4.350 0.000 0.000 0.197 419 E C 2.781 179.402 176.600 0.035 0.000 1.007 419 E CA 1.019 57.440 56.400 0.034 0.000 0.849 419 E CB -0.175 29.545 29.700 0.033 0.000 0.774 419 E HN 0.354 nan 8.360 nan 0.000 0.506 420 V N 1.458 121.394 119.914 0.038 0.000 2.667 420 V HA -0.078 4.042 4.120 0.000 0.000 0.252 420 V C 1.247 177.355 176.094 0.023 0.000 1.065 420 V CA 0.770 63.092 62.300 0.036 0.000 1.083 420 V CB -0.631 31.222 31.823 0.050 0.000 0.692 420 V HN 0.133 nan 8.190 nan 0.000 0.468 421 A N 0.765 123.596 122.820 0.019 0.000 2.531 421 A HA 0.222 4.543 4.320 0.000 0.000 0.236 421 A C 0.188 177.791 177.584 0.031 0.000 1.062 421 A CA 0.306 52.349 52.037 0.010 0.000 0.760 421 A CB -0.092 18.915 19.000 0.011 0.000 0.995 421 A HN 0.589 nan 8.150 nan 0.000 0.501 422 E N 0.358 120.576 120.200 0.032 0.000 2.246 422 E HA 0.311 4.661 4.350 0.000 0.000 0.266 422 E C -1.916 174.743 176.600 0.098 0.000 0.880 422 E CA -0.382 56.050 56.400 0.053 0.000 0.762 422 E CB 2.016 31.725 29.700 0.014 0.000 1.180 422 E HN 0.621 nan 8.360 nan 0.000 0.416 423 Y N 3.057 123.360 120.300 0.005 0.000 2.369 423 Y HA 0.268 4.819 4.550 0.000 0.000 0.337 423 Y C 0.555 176.463 175.900 0.013 0.000 0.961 423 Y CA -0.410 57.700 58.100 0.017 0.000 1.186 423 Y CB 0.589 39.066 38.460 0.028 0.000 1.139 423 Y HN 0.471 nan 8.280 nan 0.000 0.494 424 R N 3.619 123.918 120.500 -0.334 0.000 2.246 424 R HA 0.179 4.519 4.340 0.000 0.000 0.199 424 R C 1.509 177.649 176.300 -0.266 0.000 0.984 424 R CA 0.522 56.493 56.100 -0.214 0.000 1.015 424 R CB 0.045 30.262 30.300 -0.139 0.000 0.930 424 R HN 1.054 nan 8.270 nan 0.000 0.475 425 G N 1.786 110.229 108.800 -0.595 0.000 2.596 425 G HA2 -0.391 3.570 3.960 0.000 0.000 0.304 425 G HA3 -0.391 3.570 3.960 0.000 0.000 0.304 425 G C 0.588 175.466 174.900 -0.036 0.000 1.189 425 G CA 0.376 45.293 45.100 -0.305 0.000 0.986 425 G HN 0.201 nan 8.290 nan 0.000 0.548 426 L N 1.708 122.948 121.223 0.028 0.000 2.141 426 L HA 0.138 4.479 4.340 0.000 0.000 0.209 426 L C 2.751 179.699 176.870 0.130 0.000 1.094 426 L CA 2.731 57.605 54.840 0.058 0.000 0.763 426 L CB -0.533 41.487 42.059 -0.065 0.000 0.908 426 L HN 0.618 nan 8.230 nan 0.000 0.437 427 K N -1.522 118.906 120.400 0.047 0.000 2.442 427 K HA -0.027 4.294 4.320 0.000 0.000 0.198 427 K C 1.971 178.595 176.600 0.040 0.000 1.042 427 K CA 0.862 57.174 56.287 0.043 0.000 0.958 427 K CB -0.101 32.407 32.500 0.014 0.000 0.766 427 K HN 0.198 nan 8.250 nan 0.000 0.474 428 S N 0.639 116.324 115.700 -0.024 0.000 2.474 428 S HA -0.008 4.462 4.470 0.000 0.000 0.235 428 S C 0.394 174.805 174.600 -0.314 0.000 0.997 428 S CA 0.637 58.746 58.200 -0.152 0.000 0.949 428 S CB -0.086 62.928 63.200 -0.311 0.000 0.766 428 S HN 0.176 nan 8.310 nan 0.000 0.517 429 F N 2.397 122.250 119.950 -0.162 0.000 2.669 429 F HA 0.196 4.723 4.527 0.000 0.000 0.353 429 F C 1.060 176.750 175.800 -0.183 0.000 1.192 429 F CA -1.068 56.786 58.000 -0.243 0.000 1.317 429 F CB -0.907 37.954 39.000 -0.232 0.000 1.652 429 F HN 0.306 nan 8.300 nan 0.000 0.608 430 Y N -0.771 119.521 120.300 -0.014 0.000 2.574 430 Y HA -0.132 4.418 4.550 0.000 0.000 0.294 430 Y C 1.760 177.663 175.900 0.005 0.000 1.142 430 Y CA 0.556 58.651 58.100 -0.010 0.000 1.314 430 Y CB -1.137 37.300 38.460 -0.039 0.000 0.991 430 Y HN 0.282 nan 8.280 nan 0.000 0.555 431 N N 1.357 119.935 118.700 -0.203 0.000 2.459 431 N HA -0.055 4.685 4.740 0.000 0.000 0.181 431 N C 0.038 175.531 175.510 -0.029 0.000 1.046 431 N CA 0.595 53.582 53.050 -0.105 0.000 0.904 431 N CB -0.371 37.969 38.487 -0.245 0.000 0.964 431 N HN 0.447 nan 8.380 nan 0.000 0.444 432 L N -0.733 120.489 121.223 -0.002 0.000 2.344 432 L HA 0.767 5.107 4.340 0.000 0.000 0.272 432 L C 0.523 177.397 176.870 0.006 0.000 1.035 432 L CA -0.657 54.176 54.840 -0.010 0.000 0.807 432 L CB 1.576 43.613 42.059 -0.037 0.000 1.237 432 L HN 0.346 nan 8.230 nan 0.000 0.442 433 K N 0.000 120.395 120.400 -0.008 0.000 2.780 433 K HA 0.000 4.320 4.320 0.000 0.000 0.191 433 K CA 0.000 nan 56.287 nan 0.000 0.838 433 K CB 0.000 nan 32.500 nan 0.000 1.064 433 K HN 0.000 nan 8.250 nan 0.000 0.543