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 3i4k_1_E DATA FIRST_RESID 5 DATA SEQUENCE DLTIQKVESR ILDVPLIRPH GFATTTSTEQ HILLVSVHLE NGVIGYGEGV DATA SEQUENCE VPGGPWWGGE SVETXKALVD GYLAPVLIGR AVSELAGIXA DLERVVARAR DATA SEQUENCE YAKAAVDVAX HDAWARSLNV PVRDLLGGTV RDKVDVTWAL GVLPLDVAVA DATA SEQUENCE EIEERIEEFG NRSFKLKXGA GDPAEDTRRV AELAREVGDR VSLRIDINAR DATA SEQUENCE WDRRTALHYL PILAEAGVEL FEQPTPADDL ETLREITRRT NVSVXADESV DATA SEQUENCE WTPAEALAVV KAQAADVIAL KTTKHGGLLE SKKIAAIAEA GGLACHGATS DATA SEQUENCE LEGPIGTAAS LQFAASTKAI SYGTELFGPQ LLKDTYIVQE FEYKDGQVAI DATA SEQUENCE PQGPGLGVDV DXDKVNFYTR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.291 176.300 -0.014 0.000 2.045 5 D CA 0.000 53.995 54.000 -0.008 0.000 0.868 5 D CB 0.000 40.800 40.800 0.001 0.000 0.688 6 L N 1.665 122.867 121.223 -0.035 0.000 2.653 6 L HA 0.423 4.764 4.340 0.001 0.000 0.231 6 L C 0.085 176.901 176.870 -0.090 0.000 1.153 6 L CA 0.659 55.461 54.840 -0.064 0.000 0.933 6 L CB -0.216 41.781 42.059 -0.104 0.000 1.175 6 L HN 0.013 nan 8.230 nan 0.000 0.473 7 T N 0.831 115.347 114.554 -0.062 0.000 2.902 7 T HA 0.144 4.495 4.350 0.001 0.000 0.301 7 T C 0.433 175.103 174.700 -0.049 0.000 1.012 7 T CA -0.064 62.000 62.100 -0.060 0.000 1.151 7 T CB 0.532 69.376 68.868 -0.040 0.000 0.946 7 T HN -0.168 nan 8.240 nan 0.000 0.542 8 I N 4.600 125.136 120.570 -0.057 0.000 2.406 8 I HA 0.082 4.252 4.170 0.001 0.000 0.293 8 I C 1.533 177.643 176.117 -0.012 0.000 1.101 8 I CA 0.309 61.587 61.300 -0.038 0.000 1.334 8 I CB 0.867 38.837 38.000 -0.051 0.000 1.421 8 I HN 0.569 nan 8.210 nan 0.000 0.513 9 Q N 4.682 124.489 119.800 0.012 0.000 2.163 9 Q HA 0.093 4.433 4.340 0.001 0.000 0.198 9 Q C 0.672 176.690 176.000 0.030 0.000 0.954 9 Q CA 0.996 56.809 55.803 0.016 0.000 0.851 9 Q CB 0.307 29.057 28.738 0.020 0.000 0.928 9 Q HN 0.627 nan 8.270 nan 0.000 0.459 10 K N -0.479 119.968 120.400 0.078 0.000 2.568 10 K HA 0.374 4.694 4.320 0.001 0.000 0.273 10 K C -1.614 175.101 176.600 0.192 0.000 0.951 10 K CA -0.495 55.852 56.287 0.101 0.000 0.854 10 K CB 2.131 34.659 32.500 0.047 0.000 1.424 10 K HN -0.103 nan 8.250 nan 0.000 0.427 11 V N -0.527 119.475 119.914 0.147 0.000 2.577 11 V HA 0.634 4.754 4.120 0.001 0.000 0.303 11 V C -0.918 175.259 176.094 0.139 0.000 1.042 11 V CA -0.670 61.703 62.300 0.121 0.000 0.872 11 V CB 1.431 33.281 31.823 0.046 0.000 0.998 11 V HN 0.857 nan 8.190 nan 0.000 0.423 12 E N 2.877 123.180 120.200 0.172 0.000 2.320 12 E HA 0.830 5.181 4.350 0.001 0.000 0.264 12 E C -0.832 175.840 176.600 0.121 0.000 0.923 12 E CA -0.849 55.645 56.400 0.158 0.000 0.796 12 E CB 2.393 32.238 29.700 0.240 0.000 1.262 12 E HN 0.986 nan 8.360 nan 0.000 0.428 13 S N 1.266 117.026 115.700 0.101 0.000 2.614 13 S HA 0.578 5.048 4.470 0.001 0.000 0.275 13 S C -0.837 173.805 174.600 0.071 0.000 1.161 13 S CA -1.053 57.199 58.200 0.086 0.000 0.969 13 S CB 1.348 64.588 63.200 0.067 0.000 1.059 13 S HN 0.456 nan 8.310 nan 0.000 0.482 14 R N 2.051 122.590 120.500 0.065 0.000 2.534 14 R HA 0.526 4.866 4.340 0.001 0.000 0.301 14 R C -0.871 175.438 176.300 0.015 0.000 0.961 14 R CA -0.698 55.426 56.100 0.040 0.000 0.871 14 R CB 1.860 32.185 30.300 0.042 0.000 1.170 14 R HN 0.665 nan 8.270 nan 0.000 0.446 15 I N 4.965 125.540 120.570 0.009 0.000 2.379 15 I HA 0.140 4.310 4.170 0.001 0.000 0.290 15 I C -0.127 175.986 176.117 -0.006 0.000 1.063 15 I CA -0.127 61.175 61.300 0.004 0.000 1.351 15 I CB 0.481 38.484 38.000 0.006 0.000 1.410 15 I HN 0.335 nan 8.210 nan 0.000 0.505 16 L N 6.417 127.618 121.223 -0.036 0.000 2.295 16 L HA 0.433 4.773 4.340 0.001 0.000 0.285 16 L C -0.612 176.241 176.870 -0.028 0.000 1.035 16 L CA -0.663 54.136 54.840 -0.069 0.000 0.806 16 L CB 1.223 43.140 42.059 -0.236 0.000 1.214 16 L HN 0.470 nan 8.230 nan 0.000 0.426 17 D N 3.178 123.580 120.400 0.003 0.000 2.453 17 D HA 0.279 4.920 4.640 0.001 0.000 0.238 17 D C -0.816 175.432 176.300 -0.087 0.000 1.088 17 D CA -0.002 54.000 54.000 0.004 0.000 0.854 17 D CB 2.746 43.600 40.800 0.090 0.000 1.076 17 D HN 0.134 nan 8.370 nan 0.000 0.533 18 V N 3.392 123.183 119.914 -0.205 0.000 2.378 18 V HA 0.445 4.566 4.120 0.001 0.000 0.288 18 V C -2.706 173.264 176.094 -0.207 0.000 1.016 18 V CA -2.327 59.775 62.300 -0.330 0.000 0.840 18 V CB 2.085 33.646 31.823 -0.436 0.000 0.994 18 V HN 0.174 nan 8.190 nan 0.000 0.431 19 P HA 0.182 nan 4.420 nan 0.000 0.267 19 P C -0.844 176.427 177.300 -0.048 0.000 1.200 19 P CA -0.003 63.063 63.100 -0.056 0.000 0.772 19 P CB 0.465 32.172 31.700 0.012 0.000 0.855 20 L N 2.554 123.764 121.223 -0.022 0.000 2.400 20 L HA 0.308 4.648 4.340 0.001 0.000 0.264 20 L C 1.758 178.646 176.870 0.029 0.000 1.061 20 L CA -0.122 54.716 54.840 -0.003 0.000 0.799 20 L CB -0.131 41.926 42.059 -0.003 0.000 1.240 20 L HN 0.377 nan 8.230 nan 0.000 0.461 21 I N -0.161 120.438 120.570 0.049 0.000 2.353 21 I HA -0.075 4.096 4.170 0.001 0.000 0.248 21 I C 0.462 176.616 176.117 0.063 0.000 1.119 21 I CA 0.984 62.322 61.300 0.064 0.000 1.417 21 I CB -0.064 37.986 38.000 0.083 0.000 1.078 21 I HN 0.529 nan 8.210 nan 0.000 0.421 22 R N -0.345 120.198 120.500 0.071 0.000 2.740 22 R HA 0.421 4.761 4.340 0.001 0.000 0.273 22 R C -2.650 173.690 176.300 0.066 0.000 0.998 22 R CA -1.840 54.300 56.100 0.066 0.000 0.900 22 R CB 0.826 31.175 30.300 0.081 0.000 1.223 22 R HN -0.246 nan 8.270 nan 0.000 0.466 23 P HA -0.053 nan 4.420 nan 0.000 0.266 23 P C -1.061 176.265 177.300 0.044 0.000 1.193 23 P CA 0.182 63.302 63.100 0.034 0.000 0.770 23 P CB 0.367 32.070 31.700 0.005 0.000 0.836 24 H N 0.518 119.516 119.070 -0.120 0.000 2.762 24 H HA 0.532 5.088 4.556 0.001 0.000 0.310 24 H C 0.109 175.185 175.328 -0.421 0.000 1.004 24 H CA -0.367 55.523 56.048 -0.264 0.000 1.267 24 H CB 0.339 29.945 29.762 -0.259 0.000 1.437 24 H HN 0.462 nan 8.280 nan 0.000 0.498 25 G N 3.959 112.407 108.800 -0.587 0.000 2.372 25 G HA2 0.406 4.367 3.960 0.001 0.000 0.283 25 G HA3 0.406 4.367 3.960 0.001 0.000 0.283 25 G C -1.024 173.467 174.900 -0.682 0.000 1.177 25 G CA -0.191 44.617 45.100 -0.488 0.000 0.842 25 G HN 0.369 nan 8.290 nan 0.000 0.503 26 F N 0.550 120.348 119.950 -0.252 0.000 2.631 26 F HA 0.567 5.094 4.527 0.001 0.000 0.350 26 F C 1.556 177.166 175.800 -0.317 0.000 1.080 26 F CA -0.275 57.543 58.000 -0.303 0.000 1.026 26 F CB 1.506 40.171 39.000 -0.559 0.000 1.347 26 F HN 0.522 nan 8.300 nan 0.000 0.501 27 A N -0.145 122.636 122.820 -0.064 0.000 1.948 27 A HA -0.155 4.165 4.320 0.001 0.000 0.220 27 A C 1.639 179.145 177.584 -0.131 0.000 1.177 27 A CA 2.667 54.649 52.037 -0.093 0.000 0.636 27 A CB -1.243 17.727 19.000 -0.051 0.000 0.815 27 A HN 0.813 nan 8.150 nan 0.000 0.449 28 T N -4.807 109.594 114.554 -0.256 0.000 3.111 28 T HA 0.378 4.728 4.350 0.001 0.000 0.284 28 T C 0.267 174.811 174.700 -0.260 0.000 0.983 28 T CA 0.767 62.740 62.100 -0.211 0.000 0.900 28 T CB -0.236 68.546 68.868 -0.143 0.000 1.132 28 T HN 0.784 nan 8.240 nan 0.000 0.531 29 T N -1.344 113.004 114.554 -0.344 0.000 2.816 29 T HA 0.659 5.009 4.350 0.001 0.000 0.299 29 T C -1.311 173.338 174.700 -0.084 0.000 1.230 29 T CA -0.633 61.325 62.100 -0.237 0.000 1.007 29 T CB 1.898 70.534 68.868 -0.387 0.000 1.289 29 T HN -0.023 nan 8.240 nan 0.000 0.508 30 T N 1.578 116.129 114.554 -0.004 0.000 2.928 30 T HA 0.616 4.967 4.350 0.001 0.000 0.296 30 T C -0.584 174.178 174.700 0.103 0.000 1.000 30 T CA -0.601 61.510 62.100 0.017 0.000 0.989 30 T CB 1.608 70.459 68.868 -0.028 0.000 1.005 30 T HN 0.686 nan 8.240 nan 0.000 0.442 31 S N 1.694 117.495 115.700 0.168 0.000 2.525 31 S HA 0.409 4.879 4.470 0.001 0.000 0.278 31 S C 1.421 176.081 174.600 0.100 0.000 1.234 31 S CA -0.655 57.662 58.200 0.196 0.000 1.058 31 S CB 1.053 64.455 63.200 0.335 0.000 0.983 31 S HN 0.912 nan 8.310 nan 0.000 0.495 32 T N -0.554 114.039 114.554 0.065 0.000 2.990 32 T HA 0.258 4.609 4.350 0.001 0.000 0.249 32 T C 0.185 174.885 174.700 -0.001 0.000 1.039 32 T CA -0.222 61.899 62.100 0.035 0.000 1.036 32 T CB -0.111 68.780 68.868 0.037 0.000 0.994 32 T HN 0.752 nan 8.240 nan 0.000 0.489 33 E N 0.305 120.477 120.200 -0.048 0.000 2.412 33 E HA 0.583 4.933 4.350 0.001 0.000 0.279 33 E C -1.576 174.851 176.600 -0.288 0.000 0.984 33 E CA -1.243 55.070 56.400 -0.145 0.000 0.788 33 E CB 1.256 30.865 29.700 -0.151 0.000 1.277 33 E HN -0.005 nan 8.360 nan 0.000 0.455 34 Q N 1.303 120.928 119.800 -0.293 0.000 2.282 34 Q HA 0.279 4.619 4.340 0.001 0.000 0.260 34 Q C -1.438 174.326 176.000 -0.393 0.000 0.964 34 Q CA -0.506 55.116 55.803 -0.301 0.000 0.880 34 Q CB 1.046 29.698 28.738 -0.144 0.000 1.286 34 Q HN 0.557 nan 8.270 nan 0.000 0.445 35 H N 4.644 123.696 119.070 -0.030 0.000 2.488 35 H HA 0.465 5.022 4.556 0.001 0.000 0.322 35 H C -0.500 174.789 175.328 -0.064 0.000 1.078 35 H CA -0.348 55.673 56.048 -0.046 0.000 1.260 35 H CB 0.757 30.499 29.762 -0.034 0.000 1.425 35 H HN 0.570 nan 8.280 nan 0.000 0.471 36 I N 4.259 124.843 120.570 0.023 0.000 2.468 36 I HA 0.026 4.196 4.170 0.001 0.000 0.285 36 I C -0.531 175.577 176.117 -0.015 0.000 1.039 36 I CA -0.848 60.444 61.300 -0.013 0.000 1.074 36 I CB 2.323 40.297 38.000 -0.044 0.000 1.228 36 I HN 0.197 nan 8.210 nan 0.000 0.436 37 L N 7.781 129.008 121.223 0.007 0.000 2.312 37 L HA 0.341 4.681 4.340 0.001 0.000 0.287 37 L C -0.644 176.249 176.870 0.038 0.000 1.091 37 L CA -0.162 54.689 54.840 0.018 0.000 0.846 37 L CB 0.687 42.761 42.059 0.025 0.000 1.219 37 L HN 0.491 nan 8.230 nan 0.000 0.439 38 L N 6.591 127.836 121.223 0.036 0.000 2.283 38 L HA 0.420 4.760 4.340 0.001 0.000 0.287 38 L C -0.628 176.323 176.870 0.136 0.000 1.073 38 L CA 0.238 55.133 54.840 0.091 0.000 0.822 38 L CB 0.947 43.036 42.059 0.052 0.000 1.186 38 L HN 0.384 nan 8.230 nan 0.000 0.436 39 V N 4.415 124.419 119.914 0.151 0.000 2.472 39 V HA 0.623 4.744 4.120 0.001 0.000 0.290 39 V C 0.032 176.199 176.094 0.121 0.000 1.037 39 V CA -0.368 62.004 62.300 0.120 0.000 0.908 39 V CB 1.659 33.529 31.823 0.079 0.000 0.985 39 V HN 0.915 nan 8.190 nan 0.000 0.454 40 S N 3.658 119.375 115.700 0.029 0.000 2.502 40 S HA 0.750 5.220 4.470 0.001 0.000 0.304 40 S C -0.958 173.407 174.600 -0.391 0.000 1.097 40 S CA -0.753 57.291 58.200 -0.259 0.000 1.045 40 S CB 1.754 64.799 63.200 -0.257 0.000 1.019 40 S HN 0.355 nan 8.310 nan 0.000 0.481 41 V N 4.756 124.388 119.914 -0.469 0.000 2.347 41 V HA 0.360 4.481 4.120 0.001 0.000 0.280 41 V C -0.463 175.363 176.094 -0.447 0.000 1.021 41 V CA -0.526 61.581 62.300 -0.323 0.000 0.847 41 V CB 0.593 32.313 31.823 -0.172 0.000 0.990 41 V HN 0.890 nan 8.190 nan 0.000 0.444 42 H N 5.998 125.022 119.070 -0.077 0.000 2.556 42 H HA 0.490 5.046 4.556 0.001 0.000 0.310 42 H C -0.354 174.945 175.328 -0.050 0.000 1.057 42 H CA -0.280 55.729 56.048 -0.064 0.000 1.264 42 H CB 1.502 31.239 29.762 -0.041 0.000 1.404 42 H HN 0.444 nan 8.280 nan 0.000 0.462 43 L N 1.617 122.862 121.223 0.037 0.000 2.375 43 L HA 0.122 4.462 4.340 0.001 0.000 0.268 43 L C 1.893 178.776 176.870 0.023 0.000 1.058 43 L CA -0.567 54.280 54.840 0.011 0.000 0.803 43 L CB 1.160 43.212 42.059 -0.012 0.000 1.212 43 L HN 0.530 nan 8.230 nan 0.000 0.451 44 E N 1.916 122.119 120.200 0.005 0.000 2.114 44 E HA -0.271 4.079 4.350 0.001 0.000 0.199 44 E C 1.367 177.973 176.600 0.011 0.000 1.008 44 E CA 2.256 58.659 56.400 0.005 0.000 0.810 44 E CB -0.143 29.553 29.700 -0.006 0.000 0.739 44 E HN 0.728 nan 8.360 nan 0.000 0.456 45 N N -1.435 117.273 118.700 0.013 0.000 2.515 45 N HA -0.011 4.730 4.740 0.001 0.000 0.191 45 N C 1.067 176.592 175.510 0.025 0.000 1.182 45 N CA 0.511 53.572 53.050 0.018 0.000 0.879 45 N CB 0.223 38.723 38.487 0.021 0.000 0.984 45 N HN 0.283 nan 8.380 nan 0.000 0.453 46 G N 0.285 109.104 108.800 0.031 0.000 2.179 46 G HA2 -0.303 3.657 3.960 0.001 0.000 0.260 46 G HA3 -0.303 3.657 3.960 0.001 0.000 0.260 46 G C -0.013 174.917 174.900 0.049 0.000 0.977 46 G CA 0.295 45.421 45.100 0.043 0.000 0.641 46 G HN 0.396 nan 8.290 nan 0.000 0.533 47 V N 1.161 121.095 119.914 0.034 0.000 2.775 47 V HA 0.688 4.808 4.120 0.001 0.000 0.299 47 V C 0.469 176.551 176.094 -0.019 0.000 1.062 47 V CA -0.417 61.895 62.300 0.020 0.000 1.063 47 V CB 1.124 32.960 31.823 0.022 0.000 0.994 47 V HN 0.296 nan 8.190 nan 0.000 0.483 48 I N 5.599 126.127 120.570 -0.070 0.000 2.498 48 I HA 0.602 4.772 4.170 0.001 0.000 0.290 48 I C 0.421 176.300 176.117 -0.397 0.000 1.032 48 I CA -0.487 60.650 61.300 -0.272 0.000 1.073 48 I CB 1.906 39.748 38.000 -0.264 0.000 1.251 48 I HN 0.736 nan 8.210 nan 0.000 0.426 49 G N 4.720 113.227 108.800 -0.488 0.000 2.420 49 G HA2 0.687 4.648 3.960 0.001 0.000 0.331 49 G HA3 0.687 4.648 3.960 0.001 0.000 0.331 49 G C -1.718 172.854 174.900 -0.547 0.000 1.168 49 G CA -0.274 44.613 45.100 -0.355 0.000 0.936 49 G HN 0.378 nan 8.290 nan 0.000 0.479 50 Y N -0.271 120.041 120.300 0.021 0.000 2.446 50 Y HA 0.719 5.269 4.550 0.001 0.000 0.345 50 Y C 0.704 176.637 175.900 0.054 0.000 0.984 50 Y CA -0.516 57.606 58.100 0.036 0.000 1.058 50 Y CB 2.849 41.349 38.460 0.067 0.000 1.220 50 Y HN 0.815 nan 8.280 nan 0.000 0.455 51 G N 0.970 109.902 108.800 0.219 0.000 2.672 51 G HA2 0.636 4.597 3.960 0.001 0.000 0.292 51 G HA3 0.636 4.597 3.960 0.001 0.000 0.292 51 G C -1.737 173.244 174.900 0.135 0.000 1.375 51 G CA -0.941 44.245 45.100 0.143 0.000 0.890 51 G HN 0.503 nan 8.290 nan 0.000 0.476 52 E N -0.447 119.807 120.200 0.090 0.000 2.176 52 E HA 0.501 4.852 4.350 0.001 0.000 0.267 52 E C -0.276 176.348 176.600 0.040 0.000 0.893 52 E CA -0.839 55.605 56.400 0.072 0.000 0.761 52 E CB 2.157 31.897 29.700 0.066 0.000 1.133 52 E HN 0.545 nan 8.360 nan 0.000 0.409 53 G N 2.055 110.879 108.800 0.040 0.000 2.607 53 G HA2 0.419 4.380 3.960 0.001 0.000 0.332 53 G HA3 0.419 4.380 3.960 0.001 0.000 0.332 53 G C -0.969 173.931 174.900 0.001 0.000 1.046 53 G CA -0.216 44.905 45.100 0.035 0.000 1.099 53 G HN 0.283 nan 8.290 nan 0.000 0.451 54 V N 3.931 123.832 119.914 -0.021 0.000 2.808 54 V HA 0.750 4.871 4.120 0.001 0.000 0.308 54 V C -0.405 175.538 176.094 -0.251 0.000 1.099 54 V CA -0.582 61.655 62.300 -0.104 0.000 0.920 54 V CB 2.227 34.000 31.823 -0.084 0.000 1.014 54 V HN 0.840 nan 8.190 nan 0.000 0.425 55 V N 3.598 123.273 119.914 -0.397 0.000 3.019 55 V HA 0.784 4.904 4.120 0.001 0.000 0.317 55 V C -2.741 173.039 176.094 -0.524 0.000 1.094 55 V CA -2.852 59.017 62.300 -0.719 0.000 1.000 55 V CB 1.731 33.030 31.823 -0.873 0.000 1.060 55 V HN 0.741 nan 8.190 nan 0.000 0.443 56 P HA 0.315 nan 4.420 nan 0.000 0.263 56 P C 0.955 178.143 177.300 -0.186 0.000 1.601 56 P CA 1.421 64.281 63.100 -0.400 0.000 1.161 56 P CB 0.283 31.671 31.700 -0.521 0.000 1.730 57 G N 2.247 111.073 108.800 0.044 0.000 2.550 57 G HA2 -0.124 3.836 3.960 0.001 0.000 0.233 57 G HA3 -0.124 3.836 3.960 0.001 0.000 0.233 57 G C 0.440 175.532 174.900 0.321 0.000 1.170 57 G CA -0.116 45.158 45.100 0.290 0.000 0.693 57 G HN 0.885 nan 8.290 nan 0.000 0.512 58 G N -1.456 107.414 108.800 0.116 0.000 2.342 58 G HA2 0.673 4.633 3.960 0.001 0.000 0.297 58 G HA3 0.673 4.633 3.960 0.001 0.000 0.297 58 G C -2.165 172.611 174.900 -0.207 0.000 1.313 58 G CA 0.524 45.673 45.100 0.082 0.000 0.830 58 G HN 0.368 nan 8.290 nan 0.000 0.506 59 P HA -0.038 nan 4.420 nan 0.000 0.230 59 P C 1.687 178.943 177.300 -0.073 0.000 1.158 59 P CA 1.148 64.193 63.100 -0.092 0.000 0.769 59 P CB -0.092 31.603 31.700 -0.007 0.000 0.807 60 W N -1.349 119.962 121.300 0.019 0.000 2.364 60 W HA -0.124 4.536 4.660 0.001 0.000 0.281 60 W C 1.750 178.282 176.519 0.022 0.000 1.219 60 W CA -0.058 57.294 57.345 0.011 0.000 1.220 60 W CB -1.876 27.579 29.460 -0.009 0.000 1.127 60 W HN -0.015 nan 8.180 nan 0.000 0.556 61 W N 1.929 122.445 121.300 -1.308 0.000 2.408 61 W HA 0.077 4.737 4.660 0.000 0.000 0.311 61 W C 2.245 178.511 176.519 -0.422 0.000 1.190 61 W CA 3.311 59.926 57.345 -1.217 0.000 1.321 61 W CB -0.370 28.174 29.460 -1.527 0.000 1.143 61 W HN -0.065 nan 8.180 nan 0.000 0.501 62 G N -2.563 106.332 108.800 0.159 0.000 4.250 62 G HA2 0.365 4.326 3.960 0.001 0.000 0.242 62 G HA3 0.365 4.326 3.960 0.001 0.000 0.242 62 G C 0.685 175.777 174.900 0.320 0.000 1.075 62 G CA -0.092 45.273 45.100 0.442 0.000 0.846 62 G HN 0.777 nan 8.290 nan 0.000 0.445 63 G N 0.012 108.882 108.800 0.116 0.000 2.232 63 G HA2 -0.210 3.751 3.960 0.001 0.000 0.226 63 G HA3 -0.210 3.751 3.960 0.001 0.000 0.226 63 G C 0.062 174.991 174.900 0.048 0.000 0.996 63 G CA 0.205 45.352 45.100 0.079 0.000 0.626 63 G HN 0.530 nan 8.290 nan 0.000 0.509 64 E N 0.631 120.848 120.200 0.029 0.000 2.222 64 E HA 0.655 5.005 4.350 0.001 0.000 0.272 64 E C 0.098 176.617 176.600 -0.135 0.000 0.982 64 E CA 0.040 56.424 56.400 -0.027 0.000 0.842 64 E CB 1.853 31.567 29.700 0.023 0.000 1.144 64 E HN 0.556 nan 8.360 nan 0.000 0.397 65 S N -0.797 114.845 115.700 -0.096 0.000 2.671 65 S HA 0.221 4.691 4.470 0.001 0.000 0.277 65 S C 0.935 175.489 174.600 -0.078 0.000 1.165 65 S CA -0.403 57.730 58.200 -0.111 0.000 0.822 65 S CB 0.749 63.897 63.200 -0.086 0.000 1.150 65 S HN 0.351 nan 8.310 nan 0.000 0.479 66 V N -0.862 119.006 119.914 -0.075 0.000 2.392 66 V HA -0.126 3.994 4.120 0.001 0.000 0.249 66 V C 2.005 178.079 176.094 -0.034 0.000 1.059 66 V CA 2.270 64.544 62.300 -0.043 0.000 1.051 66 V CB -1.663 30.142 31.823 -0.030 0.000 0.658 66 V HN 0.836 nan 8.190 nan 0.000 0.455 67 E N 0.739 120.909 120.200 -0.050 0.000 2.072 67 E HA -0.008 4.343 4.350 0.001 0.000 0.191 67 E C 1.509 178.106 176.600 -0.004 0.000 0.985 67 E CA 1.232 57.615 56.400 -0.028 0.000 0.801 67 E CB -0.709 28.968 29.700 -0.038 0.000 0.750 67 E HN 0.679 nan 8.360 nan 0.000 0.452 71 A N 1.924 124.787 122.820 0.072 0.000 1.940 71 A HA -0.076 4.245 4.320 0.001 0.000 0.219 71 A C 1.917 179.621 177.584 0.199 0.000 1.176 71 A CA 1.589 53.693 52.037 0.111 0.000 0.631 71 A CB -0.577 18.484 19.000 0.101 0.000 0.814 71 A HN 0.309 nan 8.150 nan 0.000 0.446 72 L N -1.070 120.253 121.223 0.166 0.000 2.095 72 L HA -0.091 4.249 4.340 0.001 0.000 0.204 72 L C 2.533 179.533 176.870 0.216 0.000 1.080 72 L CA 0.729 55.699 54.840 0.215 0.000 0.759 72 L CB -0.537 41.568 42.059 0.076 0.000 0.914 72 L HN 0.240 nan 8.230 nan 0.000 0.439 73 V N 0.071 120.064 119.914 0.131 0.000 2.237 73 V HA -0.292 3.828 4.120 0.001 0.000 0.245 73 V C 2.172 178.320 176.094 0.089 0.000 1.046 73 V CA 2.025 64.386 62.300 0.102 0.000 1.007 73 V CB -0.483 31.385 31.823 0.076 0.000 0.638 73 V HN 0.414 nan 8.190 nan 0.000 0.445 74 D N 0.785 121.229 120.400 0.072 0.000 2.092 74 D HA -0.132 4.509 4.640 0.001 0.000 0.193 74 D C 2.056 178.350 176.300 -0.009 0.000 0.994 74 D CA 1.902 55.923 54.000 0.035 0.000 0.828 74 D CB -0.637 40.179 40.800 0.027 0.000 0.963 74 D HN 0.500 nan 8.370 nan 0.000 0.450 75 G N -2.201 106.584 108.800 -0.025 0.000 2.880 75 G HA2 -0.029 3.931 3.960 0.001 0.000 0.209 75 G HA3 -0.029 3.931 3.960 0.001 0.000 0.209 75 G C 0.647 175.229 174.900 -0.531 0.000 1.157 75 G CA 0.239 45.173 45.100 -0.276 0.000 0.779 75 G HN 0.281 nan 8.290 nan 0.000 0.539 76 Y N -1.567 118.741 120.300 0.013 0.000 2.728 76 Y HA 0.328 4.879 4.550 0.001 0.000 0.267 76 Y C 2.220 178.127 175.900 0.012 0.000 1.169 76 Y CA -0.390 57.717 58.100 0.012 0.000 1.168 76 Y CB 0.212 38.680 38.460 0.013 0.000 1.370 76 Y HN -0.012 nan 8.280 nan 0.000 0.482 77 L N -0.427 120.902 121.223 0.177 0.000 2.127 77 L HA 0.082 4.422 4.340 0.001 0.000 0.203 77 L C 2.573 179.479 176.870 0.061 0.000 1.080 77 L CA 1.005 55.907 54.840 0.103 0.000 0.768 77 L CB -0.643 41.470 42.059 0.090 0.000 0.924 77 L HN 0.224 nan 8.230 nan 0.000 0.444 78 A N 1.531 124.382 122.820 0.052 0.000 1.859 78 A HA -0.154 4.167 4.320 0.001 0.000 0.217 78 A C 0.075 177.668 177.584 0.014 0.000 1.198 78 A CA 2.077 54.132 52.037 0.030 0.000 0.629 78 A CB -2.063 16.953 19.000 0.027 0.000 0.830 78 A HN 0.300 nan 8.150 nan 0.000 0.446 79 P HA -0.116 nan 4.420 nan 0.000 0.220 79 P C 1.473 178.772 177.300 -0.001 0.000 1.144 79 P CA 1.498 64.594 63.100 -0.007 0.000 0.800 79 P CB -0.247 31.437 31.700 -0.026 0.000 0.772 80 V N -0.582 119.338 119.914 0.011 0.000 2.427 80 V HA -0.191 3.930 4.120 0.001 0.000 0.248 80 V C 2.557 178.647 176.094 -0.007 0.000 1.051 80 V CA 1.485 63.789 62.300 0.007 0.000 1.048 80 V CB -1.030 30.805 31.823 0.020 0.000 0.666 80 V HN 0.005 nan 8.190 nan 0.000 0.456 81 L N -0.803 120.415 121.223 -0.008 0.000 2.179 81 L HA 0.123 4.463 4.340 0.001 0.000 0.208 81 L C 1.060 177.913 176.870 -0.029 0.000 1.096 81 L CA 1.013 55.839 54.840 -0.024 0.000 0.779 81 L CB -0.537 41.509 42.059 -0.023 0.000 0.922 81 L HN 0.164 nan 8.230 nan 0.000 0.443 82 I N 0.540 121.099 120.570 -0.018 0.000 2.662 82 I HA 0.162 4.332 4.170 0.001 0.000 0.285 82 I C 1.434 177.537 176.117 -0.024 0.000 1.161 82 I CA 0.849 62.138 61.300 -0.017 0.000 1.415 82 I CB -0.332 37.662 38.000 -0.010 0.000 1.385 82 I HN 0.434 nan 8.210 nan 0.000 0.552 83 G N 5.109 113.892 108.800 -0.029 0.000 2.213 83 G HA2 -0.207 3.754 3.960 0.001 0.000 0.226 83 G HA3 -0.207 3.754 3.960 0.001 0.000 0.226 83 G C 0.316 175.190 174.900 -0.043 0.000 0.992 83 G CA -0.553 44.528 45.100 -0.031 0.000 0.632 83 G HN 0.571 nan 8.290 nan 0.000 0.511 84 R N 0.586 121.053 120.500 -0.055 0.000 2.598 84 R HA 0.731 5.072 4.340 0.001 0.000 0.279 84 R C 0.453 176.689 176.300 -0.106 0.000 0.984 84 R CA -0.057 55.998 56.100 -0.076 0.000 0.999 84 R CB 1.398 31.652 30.300 -0.077 0.000 1.114 84 R HN 0.470 nan 8.270 nan 0.000 0.493 85 A N 1.533 124.274 122.820 -0.133 0.000 2.401 85 A HA 0.078 4.398 4.320 0.001 0.000 0.259 85 A C 1.141 178.552 177.584 -0.288 0.000 1.103 85 A CA -0.451 51.475 52.037 -0.185 0.000 0.789 85 A CB 0.863 19.756 19.000 -0.178 0.000 1.035 85 A HN 0.659 nan 8.150 nan 0.000 0.491 86 V N 2.904 122.610 119.914 -0.348 0.000 2.867 86 V HA -0.160 3.960 4.120 0.001 0.000 0.260 86 V C 2.104 177.638 176.094 -0.933 0.000 1.099 86 V CA 2.575 64.589 62.300 -0.476 0.000 1.122 86 V CB -0.576 31.025 31.823 -0.371 0.000 0.708 86 V HN 1.068 nan 8.190 nan 0.000 0.490 87 S N -1.275 113.804 115.700 -1.034 0.000 2.660 87 S HA 0.070 4.541 4.470 0.001 0.000 0.223 87 S C 1.115 175.289 174.600 -0.710 0.000 0.963 87 S CA 0.358 57.715 58.200 -1.404 0.000 0.932 87 S CB -0.206 62.565 63.200 -0.716 0.000 0.775 87 S HN 0.781 nan 8.310 nan 0.000 0.531 88 E N 0.848 120.758 120.200 -0.483 0.000 2.451 88 E HA 0.199 4.549 4.350 0.001 0.000 0.194 88 E C 1.214 177.685 176.600 -0.214 0.000 1.027 88 E CA -0.360 55.886 56.400 -0.256 0.000 0.914 88 E CB 0.074 29.668 29.700 -0.176 0.000 1.054 88 E HN 0.237 nan 8.360 nan 0.000 0.461 89 L N 1.726 122.763 121.223 -0.311 0.000 2.012 89 L HA -0.340 4.001 4.340 0.001 0.000 0.236 89 L C 2.230 179.072 176.870 -0.047 0.000 1.099 89 L CA 2.718 57.453 54.840 -0.176 0.000 0.821 89 L CB -1.316 40.655 42.059 -0.147 0.000 0.918 89 L HN 0.226 nan 8.230 nan 0.000 0.445 90 A N -0.877 121.949 122.820 0.011 0.000 1.948 90 A HA -0.161 4.159 4.320 0.001 0.000 0.220 90 A C 2.323 179.917 177.584 0.016 0.000 1.177 90 A CA 1.967 54.031 52.037 0.044 0.000 0.636 90 A CB -1.317 17.725 19.000 0.070 0.000 0.815 90 A HN 0.656 nan 8.150 nan 0.000 0.449 91 G N -0.469 108.325 108.800 -0.012 0.000 2.403 91 G HA2 0.080 4.041 3.960 0.001 0.000 0.216 91 G HA3 0.080 4.041 3.960 0.001 0.000 0.216 91 G C 0.908 175.798 174.900 -0.017 0.000 1.154 91 G CA 0.637 45.728 45.100 -0.015 0.000 0.784 91 G HN 0.484 nan 8.290 nan 0.000 0.538 95 D N 1.100 121.506 120.400 0.010 0.000 2.264 95 D HA -0.045 4.596 4.640 0.001 0.000 0.208 95 D C 1.815 178.126 176.300 0.018 0.000 0.966 95 D CA 1.018 55.024 54.000 0.010 0.000 0.864 95 D CB -0.139 40.663 40.800 0.004 0.000 0.933 95 D HN 0.552 nan 8.370 nan 0.000 0.499 96 L N 0.925 122.161 121.223 0.022 0.000 2.131 96 L HA -0.135 4.205 4.340 0.001 0.000 0.210 96 L C 2.175 179.061 176.870 0.028 0.000 1.092 96 L CA 0.868 55.726 54.840 0.031 0.000 0.759 96 L CB -0.333 41.746 42.059 0.035 0.000 0.903 96 L HN -0.067 nan 8.230 nan 0.000 0.435 97 E N 0.467 120.679 120.200 0.021 0.000 2.265 97 E HA -0.167 4.184 4.350 0.001 0.000 0.196 97 E C 2.198 178.805 176.600 0.011 0.000 0.996 97 E CA 0.826 57.235 56.400 0.014 0.000 0.832 97 E CB -0.119 29.589 29.700 0.012 0.000 0.756 97 E HN 0.522 nan 8.360 nan 0.000 0.491 98 R N 0.410 120.920 120.500 0.016 0.000 2.148 98 R HA -0.052 4.288 4.340 0.001 0.000 0.223 98 R C 2.341 178.655 176.300 0.023 0.000 1.088 98 R CA 1.231 57.341 56.100 0.016 0.000 0.985 98 R CB 0.012 30.322 30.300 0.017 0.000 0.880 98 R HN 0.150 nan 8.270 nan 0.000 0.451 99 V N -3.681 116.254 119.914 0.034 0.000 3.621 99 V HA 0.244 4.365 4.120 0.001 0.000 0.263 99 V C 0.523 176.625 176.094 0.014 0.000 1.272 99 V CA -0.076 62.257 62.300 0.056 0.000 1.080 99 V CB 0.923 32.813 31.823 0.111 0.000 0.816 99 V HN -0.157 nan 8.190 nan 0.000 0.451 100 V N 1.327 121.238 119.914 -0.005 0.000 2.610 100 V HA 0.832 4.952 4.120 0.001 0.000 0.298 100 V C 0.105 176.181 176.094 -0.030 0.000 1.067 100 V CA -0.243 62.026 62.300 -0.051 0.000 0.894 100 V CB 1.180 32.974 31.823 -0.048 0.000 1.015 100 V HN 0.538 nan 8.190 nan 0.000 0.432 101 A N 4.736 127.530 122.820 -0.043 0.000 2.302 101 A HA 0.895 5.215 4.320 0.001 0.000 0.285 101 A C 0.744 178.311 177.584 -0.030 0.000 1.105 101 A CA -0.002 52.017 52.037 -0.031 0.000 0.816 101 A CB 0.473 19.450 19.000 -0.038 0.000 1.067 101 A HN 0.996 nan 8.150 nan 0.000 0.489 102 R N -0.009 120.479 120.500 -0.020 0.000 3.910 102 R HA -0.228 4.113 4.340 0.001 0.000 0.415 102 R C 0.947 177.269 176.300 0.036 0.000 0.241 102 R CA 1.349 57.441 56.100 -0.013 0.000 1.327 102 R CB -1.743 28.521 30.300 -0.060 0.000 1.012 102 R HN 2.543 nan 8.270 nan 0.000 0.557 103 A N 0.715 123.575 122.820 0.067 0.000 2.704 103 A HA -0.279 4.042 4.320 0.001 0.000 0.299 103 A C 1.248 178.929 177.584 0.160 0.000 1.507 103 A CA 1.707 53.819 52.037 0.126 0.000 0.776 103 A CB -0.870 18.164 19.000 0.057 0.000 1.027 103 A HN 0.447 nan 8.150 nan 0.000 0.475 104 R N -1.406 119.223 120.500 0.214 0.000 2.096 104 R HA -0.169 4.172 4.340 0.001 0.000 0.235 104 R C 1.508 177.832 176.300 0.039 0.000 1.127 104 R CA 2.176 58.353 56.100 0.127 0.000 0.968 104 R CB -0.554 29.841 30.300 0.158 0.000 0.861 104 R HN 0.811 nan 8.270 nan 0.000 0.440 105 Y N 0.810 121.154 120.300 0.074 0.000 2.181 105 Y HA -0.194 4.356 4.550 0.001 0.000 0.288 105 Y C 2.577 178.462 175.900 -0.026 0.000 1.146 105 Y CA 1.493 59.562 58.100 -0.052 0.000 1.164 105 Y CB -0.528 37.867 38.460 -0.109 0.000 0.982 105 Y HN 0.108 nan 8.280 nan 0.000 0.515 106 A N 0.248 123.170 122.820 0.171 0.000 1.877 106 A HA -0.228 4.092 4.320 0.001 0.000 0.216 106 A C 2.157 179.786 177.584 0.075 0.000 1.186 106 A CA 1.969 54.068 52.037 0.103 0.000 0.620 106 A CB -0.571 18.484 19.000 0.092 0.000 0.822 106 A HN 0.412 nan 8.150 nan 0.000 0.443 107 K N -0.257 120.183 120.400 0.068 0.000 2.103 107 K HA -0.091 4.230 4.320 0.001 0.000 0.207 107 K C 2.240 178.862 176.600 0.037 0.000 1.048 107 K CA 1.111 57.429 56.287 0.051 0.000 0.930 107 K CB -0.363 32.166 32.500 0.048 0.000 0.716 107 K HN 0.453 nan 8.250 nan 0.000 0.444 108 A N 1.569 124.394 122.820 0.009 0.000 1.940 108 A HA -0.173 4.147 4.320 0.001 0.000 0.219 108 A C 2.365 179.957 177.584 0.013 0.000 1.176 108 A CA 1.907 53.932 52.037 -0.019 0.000 0.631 108 A CB -0.682 18.259 19.000 -0.099 0.000 0.814 108 A HN 0.354 nan 8.150 nan 0.000 0.446 109 A N -0.609 122.229 122.820 0.031 0.000 1.902 109 A HA -0.007 4.313 4.320 0.001 0.000 0.217 109 A C 2.218 179.837 177.584 0.058 0.000 1.181 109 A CA 1.823 53.889 52.037 0.048 0.000 0.623 109 A CB -0.860 18.174 19.000 0.056 0.000 0.818 109 A HN 0.412 nan 8.150 nan 0.000 0.443 110 V N 0.810 120.757 119.914 0.055 0.000 2.358 110 V HA -0.221 3.899 4.120 0.001 0.000 0.246 110 V C 2.452 178.589 176.094 0.072 0.000 1.047 110 V CA 2.166 64.497 62.300 0.052 0.000 1.035 110 V CB -0.690 31.161 31.823 0.046 0.000 0.658 110 V HN 0.736 nan 8.190 nan 0.000 0.452 111 D N 0.491 120.946 120.400 0.093 0.000 2.097 111 D HA -0.153 4.488 4.640 0.001 0.000 0.195 111 D C 2.105 178.565 176.300 0.266 0.000 0.989 111 D CA 1.759 55.862 54.000 0.172 0.000 0.827 111 D CB 0.035 40.922 40.800 0.145 0.000 0.966 111 D HN 0.283 nan 8.370 nan 0.000 0.456 112 V N 1.752 121.757 119.914 0.151 0.000 2.343 112 V HA -0.094 4.026 4.120 0.001 0.000 0.247 112 V C 1.859 178.050 176.094 0.162 0.000 1.051 112 V CA 1.169 63.553 62.300 0.140 0.000 1.036 112 V CB -0.988 30.873 31.823 0.063 0.000 0.654 112 V HN 0.382 nan 8.190 nan 0.000 0.451 116 D N 1.660 122.188 120.400 0.212 0.000 2.097 116 D HA -0.023 4.618 4.640 0.001 0.000 0.195 116 D C 2.122 178.480 176.300 0.098 0.000 0.989 116 D CA 1.740 55.819 54.000 0.132 0.000 0.827 116 D CB 0.035 40.901 40.800 0.109 0.000 0.966 116 D HN 0.363 nan 8.370 nan 0.000 0.456 117 A N -0.006 122.854 122.820 0.068 0.000 1.858 117 A HA -0.165 4.155 4.320 0.001 0.000 0.216 117 A C 2.227 179.901 177.584 0.150 0.000 1.190 117 A CA 1.638 53.702 52.037 0.044 0.000 0.617 117 A CB -1.509 17.477 19.000 -0.022 0.000 0.827 117 A HN 0.535 nan 8.150 nan 0.000 0.443 118 W N 0.705 121.979 121.300 -0.044 0.000 2.333 118 W HA -0.178 4.483 4.660 0.001 0.000 0.316 118 W C 2.601 179.110 176.519 -0.016 0.000 1.215 118 W CA 1.803 59.122 57.345 -0.043 0.000 1.278 118 W CB -0.909 28.503 29.460 -0.080 0.000 1.154 118 W HN 0.400 nan 8.180 nan 0.000 0.486 119 A N 0.494 123.385 122.820 0.117 0.000 1.908 119 A HA -0.214 4.107 4.320 0.001 0.000 0.218 119 A C 2.142 179.735 177.584 0.015 0.000 1.181 119 A CA 2.032 54.050 52.037 -0.031 0.000 0.627 119 A CB -0.800 18.197 19.000 -0.004 0.000 0.818 119 A HN 0.383 nan 8.150 nan 0.000 0.445 120 R N -0.409 120.126 120.500 0.058 0.000 2.081 120 R HA -0.077 4.264 4.340 0.001 0.000 0.235 120 R C 2.548 178.881 176.300 0.054 0.000 1.131 120 R CA 1.530 57.659 56.100 0.048 0.000 0.960 120 R CB -0.390 29.941 30.300 0.051 0.000 0.856 120 R HN 0.509 nan 8.270 nan 0.000 0.436 121 S N 1.058 116.813 115.700 0.091 0.000 2.383 121 S HA -0.083 4.388 4.470 0.001 0.000 0.229 121 S C 1.711 176.361 174.600 0.083 0.000 1.030 121 S CA 1.032 59.292 58.200 0.100 0.000 1.002 121 S CB -0.072 63.223 63.200 0.158 0.000 0.829 121 S HN 0.251 nan 8.310 nan 0.000 0.467 122 L N 1.219 122.480 121.223 0.064 0.000 2.591 122 L HA 0.187 4.528 4.340 0.001 0.000 0.228 122 L C 0.677 177.540 176.870 -0.011 0.000 1.133 122 L CA -0.001 54.846 54.840 0.011 0.000 0.880 122 L CB -0.608 41.403 42.059 -0.079 0.000 1.033 122 L HN 0.302 nan 8.230 nan 0.000 0.450 123 N N 0.338 119.039 118.700 0.001 0.000 2.735 123 N HA -0.170 4.571 4.740 0.001 0.000 0.248 123 N C -0.640 174.858 175.510 -0.020 0.000 1.083 123 N CA 0.919 53.967 53.050 -0.003 0.000 0.703 123 N CB -0.999 37.489 38.487 0.001 0.000 1.005 123 N HN 0.265 nan 8.380 nan 0.000 0.550 124 V N -4.332 115.560 119.914 -0.035 0.000 3.040 124 V HA 0.896 5.017 4.120 0.001 0.000 0.312 124 V C -2.499 173.572 176.094 -0.039 0.000 1.115 124 V CA -2.206 60.066 62.300 -0.048 0.000 0.998 124 V CB 2.163 33.938 31.823 -0.081 0.000 1.042 124 V HN -0.093 nan 8.190 nan 0.000 0.433 125 P HA 0.285 nan 4.420 nan 0.000 0.272 125 P C 0.991 178.277 177.300 -0.023 0.000 1.230 125 P CA -0.114 62.974 63.100 -0.020 0.000 0.788 125 P CB 0.960 32.648 31.700 -0.021 0.000 0.949 126 V N 2.610 122.527 119.914 0.005 0.000 2.469 126 V HA -0.275 3.846 4.120 0.001 0.000 0.251 126 V C 2.362 178.457 176.094 0.001 0.000 1.064 126 V CA 2.204 64.520 62.300 0.026 0.000 1.066 126 V CB -1.213 30.645 31.823 0.058 0.000 0.667 126 V HN 0.652 nan 8.190 nan 0.000 0.461 127 R N 0.202 120.693 120.500 -0.016 0.000 2.193 127 R HA -0.159 4.181 4.340 0.001 0.000 0.229 127 R C 1.388 177.655 176.300 -0.056 0.000 1.110 127 R CA 1.826 57.903 56.100 -0.037 0.000 0.988 127 R CB -0.619 29.655 30.300 -0.044 0.000 0.871 127 R HN 0.371 nan 8.270 nan 0.000 0.458 128 D N 0.877 121.239 120.400 -0.064 0.000 2.363 128 D HA 0.017 4.657 4.640 0.001 0.000 0.220 128 D C 1.427 177.657 176.300 -0.116 0.000 0.994 128 D CA 0.681 54.630 54.000 -0.085 0.000 0.890 128 D CB 0.184 40.931 40.800 -0.089 0.000 0.906 128 D HN 0.298 nan 8.370 nan 0.000 0.530 129 L N -0.291 120.865 121.223 -0.111 0.000 2.607 129 L HA 0.192 4.532 4.340 0.001 0.000 0.228 129 L C 1.011 177.860 176.870 -0.035 0.000 1.123 129 L CA 0.230 54.983 54.840 -0.145 0.000 0.890 129 L CB 0.352 42.315 42.059 -0.161 0.000 1.103 129 L HN -0.048 nan 8.230 nan 0.000 0.468 130 L N -1.206 119.996 121.223 -0.034 0.000 3.122 130 L HA 0.443 4.784 4.340 0.001 0.000 0.274 130 L C 1.101 177.932 176.870 -0.065 0.000 1.222 130 L CA 0.243 55.067 54.840 -0.028 0.000 1.028 130 L CB 0.647 42.684 42.059 -0.037 0.000 1.386 130 L HN 0.212 nan 8.230 nan 0.000 0.578 131 G N -0.732 108.030 108.800 -0.063 0.000 2.211 131 G HA2 0.038 3.998 3.960 0.001 0.000 0.201 131 G HA3 0.038 3.998 3.960 0.001 0.000 0.201 131 G C 0.577 175.436 174.900 -0.069 0.000 0.997 131 G CA -0.266 44.794 45.100 -0.066 0.000 0.652 131 G HN 0.880 nan 8.290 nan 0.000 0.500 132 G N -1.558 107.199 108.800 -0.071 0.000 2.582 132 G HA2 0.446 4.406 3.960 0.001 0.000 0.222 132 G HA3 0.446 4.406 3.960 0.001 0.000 0.222 132 G C 0.141 175.000 174.900 -0.069 0.000 1.311 132 G CA 0.713 45.774 45.100 -0.064 0.000 0.915 132 G HN 2.334 nan 8.290 nan 0.000 0.528 133 T N -2.313 112.206 114.554 -0.058 0.000 2.867 133 T HA 0.690 5.040 4.350 0.001 0.000 0.282 133 T C 0.867 175.533 174.700 -0.057 0.000 1.000 133 T CA 0.352 62.417 62.100 -0.059 0.000 1.042 133 T CB 1.841 70.681 68.868 -0.046 0.000 0.973 133 T HN 1.368 nan 8.240 nan 0.000 0.465 134 V N 2.385 122.261 119.914 -0.063 0.000 3.455 134 V HA 0.333 4.453 4.120 0.001 0.000 0.250 134 V C 0.887 176.954 176.094 -0.044 0.000 1.230 134 V CA 0.445 62.712 62.300 -0.056 0.000 1.105 134 V CB -0.363 31.418 31.823 -0.070 0.000 0.850 134 V HN 1.020 nan 8.190 nan 0.000 0.461 135 R N 0.503 120.976 120.500 -0.047 0.000 2.739 135 R HA 0.498 4.838 4.340 0.001 0.000 0.271 135 R C -1.047 175.233 176.300 -0.034 0.000 1.010 135 R CA -0.094 55.985 56.100 -0.035 0.000 0.897 135 R CB 1.389 31.669 30.300 -0.033 0.000 1.236 135 R HN 0.153 nan 8.270 nan 0.000 0.466 136 D N -0.116 120.268 120.400 -0.026 0.000 2.500 136 D HA 0.125 4.765 4.640 0.001 0.000 0.217 136 D C -0.497 175.789 176.300 -0.023 0.000 1.159 136 D CA -0.170 53.816 54.000 -0.024 0.000 0.828 136 D CB 0.438 41.225 40.800 -0.021 0.000 1.039 136 D HN 0.606 nan 8.370 nan 0.000 0.512 137 K N -0.025 120.361 120.400 -0.022 0.000 2.532 137 K HA 0.652 4.973 4.320 0.001 0.000 0.265 137 K C -1.219 175.369 176.600 -0.021 0.000 0.948 137 K CA -1.162 55.111 56.287 -0.023 0.000 0.842 137 K CB 2.761 35.252 32.500 -0.014 0.000 1.392 137 K HN -0.018 nan 8.250 nan 0.000 0.436 138 V N -1.917 117.984 119.914 -0.023 0.000 2.925 138 V HA 0.470 4.590 4.120 0.001 0.000 0.311 138 V C -0.952 175.138 176.094 -0.007 0.000 1.104 138 V CA -0.973 61.316 62.300 -0.019 0.000 0.954 138 V CB 1.841 33.646 31.823 -0.031 0.000 1.022 138 V HN 0.857 nan 8.190 nan 0.000 0.427 139 D N 1.753 122.150 120.400 -0.006 0.000 2.382 139 D HA 0.463 5.104 4.640 0.001 0.000 0.240 139 D C -0.520 175.786 176.300 0.009 0.000 1.146 139 D CA 0.298 54.299 54.000 0.001 0.000 0.897 139 D CB 2.113 42.903 40.800 -0.017 0.000 1.197 139 D HN 0.527 nan 8.370 nan 0.000 0.432 140 V N 1.314 121.249 119.914 0.035 0.000 2.577 140 V HA 0.262 4.383 4.120 0.001 0.000 0.303 140 V C 0.302 176.415 176.094 0.032 0.000 1.042 140 V CA -0.803 61.541 62.300 0.073 0.000 0.872 140 V CB 1.954 33.883 31.823 0.177 0.000 0.998 140 V HN 0.681 nan 8.190 nan 0.000 0.423 141 T N 1.785 116.374 114.554 0.059 0.000 2.829 141 T HA 0.418 4.768 4.350 0.001 0.000 0.282 141 T C -0.506 174.210 174.700 0.026 0.000 0.990 141 T CA -0.494 61.587 62.100 -0.032 0.000 1.028 141 T CB 1.412 70.287 68.868 0.013 0.000 0.951 141 T HN 0.709 nan 8.240 nan 0.000 0.460 142 W N 3.302 124.353 121.300 -0.415 0.000 2.365 142 W HA 0.580 5.240 4.660 0.000 0.000 0.316 142 W C -0.850 175.492 176.519 -0.295 0.000 1.164 142 W CA -1.127 55.934 57.345 -0.474 0.000 1.204 142 W CB 1.195 30.424 29.460 -0.385 0.000 1.213 142 W HN 0.967 nan 8.180 nan 0.000 0.539 143 A N 6.749 128.793 122.820 -1.294 0.000 2.287 143 A HA 0.600 4.921 4.320 0.001 0.000 0.317 143 A C -1.434 175.727 177.584 -0.705 0.000 1.220 143 A CA -0.664 50.988 52.037 -0.642 0.000 0.835 143 A CB 0.892 19.800 19.000 -0.154 0.000 1.180 143 A HN 0.547 nan 8.150 nan 0.000 0.500 144 L N 2.628 123.697 121.223 -0.256 0.000 2.289 144 L HA 0.565 4.905 4.340 0.001 0.000 0.285 144 L C 1.234 177.942 176.870 -0.272 0.000 1.049 144 L CA 0.355 55.101 54.840 -0.157 0.000 0.804 144 L CB 1.318 43.382 42.059 0.008 0.000 1.195 144 L HN 0.816 nan 8.230 nan 0.000 0.428 145 G N 1.405 109.905 108.800 -0.500 0.000 2.611 145 G HA2 0.298 4.258 3.960 0.001 0.000 0.273 145 G HA3 0.298 4.258 3.960 0.001 0.000 0.273 145 G C -0.376 174.295 174.900 -0.381 0.000 1.305 145 G CA -0.562 44.082 45.100 -0.759 0.000 1.010 145 G HN 0.484 nan 8.290 nan 0.000 0.509 146 V N 0.152 119.859 119.914 -0.344 0.000 2.493 146 V HA 0.440 4.561 4.120 0.001 0.000 0.292 146 V C -0.187 175.811 176.094 -0.160 0.000 1.016 146 V CA 0.388 62.567 62.300 -0.202 0.000 1.097 146 V CB -0.518 31.203 31.823 -0.170 0.000 0.947 146 V HN 0.424 nan 8.190 nan 0.000 0.479 147 L N 6.933 128.091 121.223 -0.109 0.000 2.434 147 L HA 0.558 4.899 4.340 0.001 0.000 0.260 147 L C -2.479 174.358 176.870 -0.054 0.000 0.983 147 L CA -1.948 52.846 54.840 -0.077 0.000 0.820 147 L CB 2.473 44.494 42.059 -0.064 0.000 1.361 147 L HN 0.413 nan 8.230 nan 0.000 0.410 148 P HA 0.040 nan 4.420 nan 0.000 0.269 148 P C 0.515 177.798 177.300 -0.029 0.000 1.215 148 P CA -0.423 62.657 63.100 -0.032 0.000 0.780 148 P CB 0.669 32.352 31.700 -0.028 0.000 0.898 149 L N 2.793 124.003 121.223 -0.023 0.000 1.980 149 L HA -0.308 4.033 4.340 0.001 0.000 0.232 149 L C 1.539 178.394 176.870 -0.026 0.000 1.092 149 L CA 2.225 57.053 54.840 -0.021 0.000 0.808 149 L CB -1.374 40.677 42.059 -0.013 0.000 0.908 149 L HN 0.357 nan 8.230 nan 0.000 0.442 150 D N -0.730 119.657 120.400 -0.023 0.000 2.149 150 D HA -0.198 4.443 4.640 0.001 0.000 0.194 150 D C 2.299 178.580 176.300 -0.031 0.000 1.001 150 D CA 1.888 55.873 54.000 -0.026 0.000 0.849 150 D CB -0.518 40.269 40.800 -0.021 0.000 0.939 150 D HN 0.360 nan 8.370 nan 0.000 0.449 151 V N 1.536 121.433 119.914 -0.028 0.000 2.287 151 V HA -0.270 3.850 4.120 0.001 0.000 0.248 151 V C 2.597 178.671 176.094 -0.033 0.000 1.053 151 V CA 1.954 64.238 62.300 -0.027 0.000 1.027 151 V CB -0.886 30.923 31.823 -0.024 0.000 0.646 151 V HN 0.211 nan 8.190 nan 0.000 0.447 152 A N -0.212 122.586 122.820 -0.037 0.000 1.883 152 A HA -0.177 4.143 4.320 0.001 0.000 0.217 152 A C 2.372 179.911 177.584 -0.075 0.000 1.186 152 A CA 2.166 54.177 52.037 -0.043 0.000 0.624 152 A CB -0.786 18.189 19.000 -0.041 0.000 0.822 152 A HN 0.349 nan 8.150 nan 0.000 0.444 153 V N -0.124 119.747 119.914 -0.073 0.000 2.490 153 V HA -0.252 3.868 4.120 0.001 0.000 0.250 153 V C 2.970 179.001 176.094 -0.104 0.000 1.061 153 V CA 1.848 64.091 62.300 -0.095 0.000 1.064 153 V CB -1.301 30.483 31.823 -0.066 0.000 0.670 153 V HN 0.642 nan 8.190 nan 0.000 0.461 154 A N -0.214 122.561 122.820 -0.076 0.000 1.841 154 A HA -0.265 4.055 4.320 0.001 0.000 0.214 154 A C 2.295 179.827 177.584 -0.087 0.000 1.195 154 A CA 1.863 53.858 52.037 -0.070 0.000 0.611 154 A CB -0.634 18.338 19.000 -0.047 0.000 0.835 154 A HN 0.557 nan 8.150 nan 0.000 0.443 155 E N -0.323 119.834 120.200 -0.072 0.000 2.130 155 E HA -0.214 4.136 4.350 0.001 0.000 0.196 155 E C 1.866 178.376 176.600 -0.151 0.000 0.998 155 E CA 1.451 57.810 56.400 -0.067 0.000 0.806 155 E CB -0.241 29.468 29.700 0.015 0.000 0.738 155 E HN 0.686 nan 8.360 nan 0.000 0.459 156 I N 0.930 121.347 120.570 -0.255 0.000 2.202 156 I HA -0.238 3.932 4.170 0.001 0.000 0.242 156 I C 2.441 178.337 176.117 -0.369 0.000 1.091 156 I CA 0.908 61.865 61.300 -0.571 0.000 1.368 156 I CB -0.283 37.276 38.000 -0.735 0.000 1.058 156 I HN 0.094 nan 8.210 nan 0.000 0.410 157 E N 0.667 120.732 120.200 -0.224 0.000 2.097 157 E HA -0.311 4.040 4.350 0.001 0.000 0.196 157 E C 1.977 178.518 176.600 -0.099 0.000 1.000 157 E CA 1.502 57.823 56.400 -0.133 0.000 0.804 157 E CB -0.314 29.327 29.700 -0.097 0.000 0.740 157 E HN 0.561 nan 8.360 nan 0.000 0.454 158 E N 0.371 120.508 120.200 -0.105 0.000 2.077 158 E HA -0.176 4.174 4.350 0.001 0.000 0.193 158 E C 2.069 178.619 176.600 -0.083 0.000 0.989 158 E CA 0.688 57.032 56.400 -0.092 0.000 0.800 158 E CB 0.204 29.851 29.700 -0.089 0.000 0.746 158 E HN -0.011 nan 8.360 nan 0.000 0.452 159 R N 0.353 120.809 120.500 -0.074 0.000 2.092 159 R HA -0.049 4.291 4.340 0.001 0.000 0.231 159 R C 2.406 178.785 176.300 0.132 0.000 1.119 159 R CA 0.822 56.931 56.100 0.015 0.000 0.970 159 R CB -0.581 29.738 30.300 0.032 0.000 0.864 159 R HN 0.385 nan 8.270 nan 0.000 0.440 160 I N 0.774 121.428 120.570 0.141 0.000 2.361 160 I HA -0.222 3.948 4.170 0.001 0.000 0.251 160 I C 2.379 178.525 176.117 0.049 0.000 1.133 160 I CA 1.151 62.538 61.300 0.146 0.000 1.413 160 I CB -0.169 37.893 38.000 0.103 0.000 1.073 160 I HN 0.082 nan 8.210 nan 0.000 0.424 161 E N 0.752 120.944 120.200 -0.013 0.000 2.021 161 E HA -0.192 4.158 4.350 0.001 0.000 0.189 161 E C 2.004 178.533 176.600 -0.118 0.000 0.980 161 E CA 1.105 57.472 56.400 -0.056 0.000 0.803 161 E CB -0.038 29.619 29.700 -0.071 0.000 0.766 161 E HN 0.458 nan 8.360 nan 0.000 0.449 162 E N -1.366 118.709 120.200 -0.209 0.000 2.216 162 E HA -0.094 4.256 4.350 0.001 0.000 0.192 162 E C 1.049 177.252 176.600 -0.661 0.000 0.988 162 E CA 0.683 56.803 56.400 -0.467 0.000 0.834 162 E CB 0.146 29.463 29.700 -0.638 0.000 0.772 162 E HN 0.110 nan 8.360 nan 0.000 0.479 163 F N -1.609 118.300 119.950 -0.068 0.000 2.789 163 F HA 0.356 4.883 4.527 0.001 0.000 0.320 163 F C 1.418 177.211 175.800 -0.012 0.000 1.079 163 F CA 0.433 58.404 58.000 -0.049 0.000 1.205 163 F CB 1.287 40.208 39.000 -0.131 0.000 1.046 163 F HN 0.110 nan 8.300 nan 0.000 0.586 164 G N 1.088 109.974 108.800 0.144 0.000 2.148 164 G HA2 -0.334 3.627 3.960 0.001 0.000 0.254 164 G HA3 -0.334 3.627 3.960 0.001 0.000 0.254 164 G C -0.088 174.865 174.900 0.089 0.000 0.981 164 G CA 0.025 45.189 45.100 0.106 0.000 0.670 164 G HN 0.400 nan 8.290 nan 0.000 0.528 165 N N 0.207 118.947 118.700 0.066 0.000 2.294 165 N HA 0.256 4.997 4.740 0.001 0.000 0.263 165 N C 1.374 176.811 175.510 -0.122 0.000 1.281 165 N CA 0.310 53.287 53.050 -0.120 0.000 0.846 165 N CB 0.327 38.568 38.487 -0.411 0.000 1.061 165 N HN 0.324 nan 8.380 nan 0.000 0.478 166 R N 0.556 120.988 120.500 -0.113 0.000 2.359 166 R HA 0.094 4.434 4.340 0.001 0.000 0.231 166 R C -0.224 176.044 176.300 -0.054 0.000 0.913 166 R CA 0.122 56.207 56.100 -0.026 0.000 1.075 166 R CB -0.181 30.118 30.300 -0.002 0.000 1.087 166 R HN 0.693 nan 8.270 nan 0.000 0.515 167 S N -0.620 114.923 115.700 -0.263 0.000 2.537 167 S HA 0.603 5.074 4.470 0.001 0.000 0.271 167 S C -1.002 173.322 174.600 -0.461 0.000 1.148 167 S CA -0.902 57.198 58.200 -0.167 0.000 0.868 167 S CB 1.386 64.519 63.200 -0.111 0.000 1.115 167 S HN 0.025 nan 8.310 nan 0.000 0.461 168 F N 0.957 120.949 119.950 0.070 0.000 2.565 168 F HA 0.650 5.177 4.527 0.001 0.000 0.313 168 F C 0.031 175.861 175.800 0.050 0.000 1.091 168 F CA -0.655 57.395 58.000 0.084 0.000 0.915 168 F CB 2.376 41.436 39.000 0.099 0.000 1.208 168 F HN 0.735 nan 8.300 nan 0.000 0.453 169 K N 3.716 124.222 120.400 0.177 0.000 2.274 169 K HA 0.699 5.019 4.320 0.001 0.000 0.262 169 K C -1.785 174.862 176.600 0.078 0.000 0.961 169 K CA -0.489 55.861 56.287 0.106 0.000 0.833 169 K CB 0.928 33.475 32.500 0.080 0.000 1.102 169 K HN 0.692 nan 8.250 nan 0.000 0.436 170 L N 5.010 126.273 121.223 0.066 0.000 2.280 170 L HA 0.402 4.742 4.340 0.001 0.000 0.287 170 L C 0.114 176.974 176.870 -0.018 0.000 1.023 170 L CA -0.682 54.168 54.840 0.017 0.000 0.819 170 L CB 1.444 43.518 42.059 0.026 0.000 1.212 170 L HN 0.580 nan 8.230 nan 0.000 0.420 174 A N 0.860 123.673 122.820 -0.011 0.000 2.328 174 A HA 0.770 5.091 4.320 0.001 0.000 0.284 174 A C 1.215 178.806 177.584 0.013 0.000 1.160 174 A CA 0.837 52.867 52.037 -0.012 0.000 0.818 174 A CB 0.050 19.020 19.000 -0.050 0.000 1.087 174 A HN 2.114 nan 8.150 nan 0.000 0.504 175 G N 1.998 110.805 108.800 0.011 0.000 2.806 175 G HA2 -0.116 3.845 3.960 0.001 0.000 0.236 175 G HA3 -0.116 3.845 3.960 0.001 0.000 0.236 175 G C -0.148 174.754 174.900 0.005 0.000 1.387 175 G CA 0.188 45.289 45.100 0.001 0.000 0.884 175 G HN 1.461 nan 8.290 nan 0.000 0.560 176 D N 0.631 121.011 120.400 -0.033 0.000 2.772 176 D HA 0.194 4.834 4.640 0.001 0.000 0.227 176 D C -0.406 175.823 176.300 -0.118 0.000 1.114 176 D CA 0.138 54.088 54.000 -0.083 0.000 0.832 176 D CB 0.698 41.449 40.800 -0.081 0.000 1.154 176 D HN 0.132 nan 8.370 nan 0.000 0.514 177 P HA -0.149 nan 4.420 nan 0.000 0.215 177 P C 0.971 177.868 177.300 -0.673 0.000 1.157 177 P CA 1.664 64.476 63.100 -0.481 0.000 0.863 177 P CB 0.048 31.106 31.700 -1.069 0.000 0.787 178 A N 0.062 122.429 122.820 -0.754 0.000 1.883 178 A HA -0.273 4.048 4.320 0.001 0.000 0.217 178 A C 2.130 179.618 177.584 -0.159 0.000 1.186 178 A CA 1.965 53.724 52.037 -0.463 0.000 0.624 178 A CB -1.297 17.632 19.000 -0.118 0.000 0.822 178 A HN 0.203 nan 8.150 nan 0.000 0.444 179 E N -0.802 119.331 120.200 -0.112 0.000 2.047 179 E HA -0.189 4.162 4.350 0.001 0.000 0.191 179 E C 1.801 178.392 176.600 -0.016 0.000 0.987 179 E CA 0.912 57.288 56.400 -0.040 0.000 0.799 179 E CB -0.228 29.451 29.700 -0.035 0.000 0.752 179 E HN 0.569 nan 8.360 nan 0.000 0.449 180 D N 0.239 120.633 120.400 -0.011 0.000 2.133 180 D HA -0.153 4.488 4.640 0.001 0.000 0.195 180 D C 1.834 178.174 176.300 0.067 0.000 0.997 180 D CA 1.488 55.513 54.000 0.042 0.000 0.840 180 D CB -0.116 40.759 40.800 0.127 0.000 0.947 180 D HN 0.051 nan 8.370 nan 0.000 0.452 181 T N -0.495 114.105 114.554 0.077 0.000 2.821 181 T HA -0.096 4.255 4.350 0.001 0.000 0.267 181 T C 2.014 176.776 174.700 0.102 0.000 1.046 181 T CA 1.028 63.209 62.100 0.135 0.000 1.139 181 T CB -0.064 68.907 68.868 0.172 0.000 0.871 181 T HN 0.081 nan 8.240 nan 0.000 0.454 182 R N 1.066 121.606 120.500 0.066 0.000 2.080 182 R HA -0.014 4.326 4.340 0.001 0.000 0.236 182 R C 2.571 178.898 176.300 0.046 0.000 1.137 182 R CA 1.436 57.572 56.100 0.059 0.000 0.943 182 R CB -0.212 30.111 30.300 0.039 0.000 0.846 182 R HN 0.251 nan 8.270 nan 0.000 0.431 183 R N -0.256 120.262 120.500 0.031 0.000 2.115 183 R HA -0.177 4.163 4.340 0.001 0.000 0.239 183 R C 1.950 178.265 176.300 0.025 0.000 1.133 183 R CA 2.353 58.464 56.100 0.018 0.000 0.935 183 R CB -0.534 29.769 30.300 0.005 0.000 0.853 183 R HN 0.177 nan 8.270 nan 0.000 0.433 184 V N 1.075 121.011 119.914 0.037 0.000 2.343 184 V HA -0.214 3.907 4.120 0.001 0.000 0.247 184 V C 2.558 178.690 176.094 0.062 0.000 1.051 184 V CA 1.812 64.139 62.300 0.045 0.000 1.036 184 V CB -0.868 30.987 31.823 0.053 0.000 0.654 184 V HN 0.605 nan 8.190 nan 0.000 0.451 185 A N -0.094 122.773 122.820 0.078 0.000 1.873 185 A HA -0.310 4.010 4.320 0.001 0.000 0.218 185 A C 2.182 179.801 177.584 0.058 0.000 1.193 185 A CA 2.277 54.364 52.037 0.083 0.000 0.629 185 A CB -0.599 18.457 19.000 0.093 0.000 0.826 185 A HN 0.618 nan 8.150 nan 0.000 0.447 186 E N -0.747 119.480 120.200 0.045 0.000 2.153 186 E HA -0.132 4.218 4.350 0.001 0.000 0.194 186 E C 1.978 178.591 176.600 0.021 0.000 0.988 186 E CA 0.979 57.397 56.400 0.030 0.000 0.811 186 E CB -0.223 29.490 29.700 0.023 0.000 0.746 186 E HN 0.662 nan 8.360 nan 0.000 0.466 187 L N 0.335 121.569 121.223 0.019 0.000 2.141 187 L HA -0.113 4.228 4.340 0.001 0.000 0.209 187 L C 2.289 179.167 176.870 0.013 0.000 1.094 187 L CA 1.159 56.002 54.840 0.005 0.000 0.763 187 L CB -0.154 41.904 42.059 -0.001 0.000 0.908 187 L HN 0.084 nan 8.230 nan 0.000 0.437 188 A N 0.269 123.110 122.820 0.034 0.000 1.902 188 A HA -0.203 4.117 4.320 0.001 0.000 0.217 188 A C 2.296 179.902 177.584 0.036 0.000 1.181 188 A CA 1.590 53.654 52.037 0.045 0.000 0.623 188 A CB -0.500 18.539 19.000 0.066 0.000 0.818 188 A HN 0.497 nan 8.150 nan 0.000 0.443 189 R N -0.358 120.162 120.500 0.033 0.000 2.115 189 R HA -0.088 4.253 4.340 0.001 0.000 0.230 189 R C 1.921 178.231 176.300 0.017 0.000 1.111 189 R CA 1.435 57.551 56.100 0.027 0.000 0.976 189 R CB -0.238 30.078 30.300 0.027 0.000 0.870 189 R HN 0.671 nan 8.270 nan 0.000 0.445 190 E N -0.024 120.182 120.200 0.009 0.000 2.122 190 E HA -0.068 4.282 4.350 0.001 0.000 0.190 190 E C 1.723 178.319 176.600 -0.007 0.000 0.977 190 E CA 1.023 57.422 56.400 -0.002 0.000 0.820 190 E CB 0.398 30.091 29.700 -0.011 0.000 0.770 190 E HN 0.108 nan 8.360 nan 0.000 0.462 191 V N -0.375 119.535 119.914 -0.007 0.000 3.048 191 V HA 0.087 4.207 4.120 0.001 0.000 0.241 191 V C 2.226 178.332 176.094 0.021 0.000 1.129 191 V CA 0.939 63.232 62.300 -0.012 0.000 1.128 191 V CB -0.175 31.618 31.823 -0.050 0.000 0.849 191 V HN 0.306 nan 8.190 nan 0.000 0.475 192 G N 0.811 109.631 108.800 0.034 0.000 2.606 192 G HA2 -0.320 3.640 3.960 0.001 0.000 0.223 192 G HA3 -0.320 3.640 3.960 0.001 0.000 0.223 192 G C 1.106 176.036 174.900 0.049 0.000 1.106 192 G CA 1.531 46.661 45.100 0.051 0.000 0.745 192 G HN 0.534 nan 8.290 nan 0.000 0.597 193 D N 0.188 120.610 120.400 0.037 0.000 2.178 193 D HA -0.044 4.596 4.640 0.001 0.000 0.202 193 D C 2.642 178.967 176.300 0.040 0.000 0.974 193 D CA 0.717 54.738 54.000 0.034 0.000 0.841 193 D CB -0.075 40.740 40.800 0.025 0.000 0.953 193 D HN 0.399 nan 8.370 nan 0.000 0.478 194 R N 0.376 120.904 120.500 0.046 0.000 2.128 194 R HA 0.100 4.440 4.340 0.001 0.000 0.211 194 R C 1.137 177.490 176.300 0.088 0.000 1.067 194 R CA 0.370 56.504 56.100 0.056 0.000 1.010 194 R CB 0.535 30.863 30.300 0.047 0.000 0.922 194 R HN 0.113 nan 8.270 nan 0.000 0.457 195 V N -2.881 117.102 119.914 0.115 0.000 3.164 195 V HA 0.496 4.616 4.120 0.001 0.000 0.313 195 V C -0.339 175.840 176.094 0.141 0.000 1.188 195 V CA -1.171 61.229 62.300 0.167 0.000 1.058 195 V CB 1.908 33.933 31.823 0.338 0.000 1.110 195 V HN -0.061 nan 8.190 nan 0.000 0.453 196 S N 0.851 116.632 115.700 0.136 0.000 2.452 196 S HA 0.674 5.144 4.470 0.001 0.000 0.284 196 S C -0.639 174.041 174.600 0.134 0.000 1.171 196 S CA -0.550 57.711 58.200 0.103 0.000 1.064 196 S CB -0.499 62.739 63.200 0.063 0.000 0.967 196 S HN 0.623 nan 8.310 nan 0.000 0.484 197 L N 5.317 126.611 121.223 0.118 0.000 2.307 197 L HA 0.670 5.011 4.340 0.001 0.000 0.284 197 L C -0.058 176.872 176.870 0.101 0.000 1.023 197 L CA -0.792 54.126 54.840 0.130 0.000 0.810 197 L CB 1.500 43.630 42.059 0.117 0.000 1.231 197 L HN 0.597 nan 8.230 nan 0.000 0.423 198 R N 2.695 123.262 120.500 0.110 0.000 2.888 198 R HA 0.815 5.156 4.340 0.001 0.000 0.264 198 R C -1.159 175.212 176.300 0.119 0.000 1.045 198 R CA -0.707 55.453 56.100 0.101 0.000 0.962 198 R CB 1.973 32.319 30.300 0.078 0.000 1.210 198 R HN 0.556 nan 8.270 nan 0.000 0.479 199 I N -3.036 117.619 120.570 0.142 0.000 3.074 199 I HA 0.730 4.900 4.170 0.001 0.000 0.310 199 I C -1.392 174.775 176.117 0.084 0.000 1.153 199 I CA -0.682 60.678 61.300 0.101 0.000 0.993 199 I CB 2.698 40.752 38.000 0.090 0.000 1.237 199 I HN 0.359 nan 8.210 nan 0.000 0.443 200 D N 2.698 123.113 120.400 0.025 0.000 2.970 200 D HA 0.481 5.122 4.640 0.001 0.000 0.230 200 D C -0.473 175.799 176.300 -0.047 0.000 1.276 200 D CA -0.374 53.648 54.000 0.036 0.000 0.910 200 D CB 1.820 42.690 40.800 0.117 0.000 1.590 200 D HN 0.689 nan 8.370 nan 0.000 0.551 201 I N 1.727 122.230 120.570 -0.111 0.000 4.025 201 I HA 0.133 4.303 4.170 0.001 0.000 0.336 201 I C 0.494 176.569 176.117 -0.072 0.000 1.390 201 I CA -0.405 60.764 61.300 -0.218 0.000 1.099 201 I CB -0.179 37.509 38.000 -0.519 0.000 1.049 201 I HN 0.340 nan 8.210 nan 0.000 0.394 202 N N 2.486 121.200 118.700 0.024 0.000 2.714 202 N HA -0.267 4.474 4.740 0.001 0.000 0.252 202 N C 0.921 176.419 175.510 -0.020 0.000 1.014 202 N CA 0.906 53.981 53.050 0.042 0.000 0.735 202 N CB -0.511 38.121 38.487 0.242 0.000 0.924 202 N HN 0.656 nan 8.380 nan 0.000 0.540 203 A N -1.116 121.685 122.820 -0.032 0.000 2.790 203 A HA -0.287 4.034 4.320 0.001 0.000 0.277 203 A C 1.319 178.924 177.584 0.035 0.000 1.435 203 A CA 1.655 53.687 52.037 -0.009 0.000 0.877 203 A CB -0.654 18.316 19.000 -0.050 0.000 1.007 203 A HN 0.441 nan 8.150 nan 0.000 0.613 204 R N -1.961 118.563 120.500 0.041 0.000 2.359 204 R HA 0.152 4.493 4.340 0.001 0.000 0.231 204 R C -0.362 176.087 176.300 0.247 0.000 0.913 204 R CA -0.040 56.120 56.100 0.099 0.000 1.075 204 R CB -0.127 30.214 30.300 0.069 0.000 1.087 204 R HN 0.635 nan 8.270 nan 0.000 0.515 205 W N 1.922 123.220 121.300 -0.003 0.000 2.570 205 W HA 0.193 4.854 4.660 0.001 0.000 0.337 205 W C 0.184 176.705 176.519 0.002 0.000 1.067 205 W CA -1.873 55.468 57.345 -0.006 0.000 1.229 205 W CB 0.910 30.365 29.460 -0.010 0.000 1.355 205 W HN 0.042 nan 8.180 nan 0.000 0.555 206 D N 0.818 121.320 120.400 0.170 0.000 2.383 206 D HA 0.143 4.783 4.640 0.001 0.000 0.248 206 D C 1.357 177.715 176.300 0.096 0.000 1.170 206 D CA -0.455 53.602 54.000 0.095 0.000 0.977 206 D CB 0.643 41.463 40.800 0.034 0.000 1.120 206 D HN 0.408 nan 8.370 nan 0.000 0.481 207 R N 0.051 120.593 120.500 0.070 0.000 2.096 207 R HA -0.219 4.122 4.340 0.001 0.000 0.240 207 R C 2.140 178.468 176.300 0.047 0.000 1.139 207 R CA 1.391 57.530 56.100 0.065 0.000 0.952 207 R CB -0.179 30.149 30.300 0.046 0.000 0.854 207 R HN 0.572 nan 8.270 nan 0.000 0.436 208 R N -0.272 120.239 120.500 0.017 0.000 2.083 208 R HA -0.112 4.229 4.340 0.001 0.000 0.237 208 R C 1.980 178.269 176.300 -0.018 0.000 1.137 208 R CA 2.204 58.303 56.100 -0.001 0.000 0.951 208 R CB -0.440 29.847 30.300 -0.021 0.000 0.851 208 R HN 0.294 nan 8.270 nan 0.000 0.434 209 T N 0.696 115.210 114.554 -0.067 0.000 2.720 209 T HA -0.149 4.201 4.350 0.001 0.000 0.268 209 T C 1.778 176.420 174.700 -0.096 0.000 1.037 209 T CA 1.488 63.485 62.100 -0.172 0.000 1.144 209 T CB -0.269 68.339 68.868 -0.433 0.000 0.864 209 T HN 0.470 nan 8.240 nan 0.000 0.444 210 A N 1.172 124.041 122.820 0.082 0.000 1.873 210 A HA 0.063 4.383 4.320 0.001 0.000 0.215 210 A C 2.272 179.938 177.584 0.136 0.000 1.186 210 A CA 1.101 53.301 52.037 0.270 0.000 0.616 210 A CB -0.779 18.389 19.000 0.278 0.000 0.823 210 A HN 0.484 nan 8.150 nan 0.000 0.442 211 L N -1.270 119.999 121.223 0.077 0.000 2.201 211 L HA -0.158 4.183 4.340 0.001 0.000 0.212 211 L C 2.665 179.534 176.870 -0.003 0.000 1.105 211 L CA 1.300 56.164 54.840 0.041 0.000 0.775 211 L CB -0.596 41.480 42.059 0.028 0.000 0.913 211 L HN 0.577 nan 8.230 nan 0.000 0.440 212 H N -0.584 118.395 119.070 -0.152 0.000 2.372 212 H HA -0.104 4.453 4.556 0.001 0.000 0.301 212 H C 1.807 176.864 175.328 -0.452 0.000 1.065 212 H CA 1.742 57.586 56.048 -0.340 0.000 1.364 212 H CB 0.275 29.729 29.762 -0.513 0.000 1.406 212 H HN 0.270 nan 8.280 nan 0.000 0.521 213 Y N 0.077 120.453 120.300 0.125 0.000 2.441 213 Y HA 0.080 4.631 4.550 0.001 0.000 0.288 213 Y C 2.793 178.765 175.900 0.120 0.000 1.118 213 Y CA 0.047 58.217 58.100 0.118 0.000 1.215 213 Y CB -0.149 38.295 38.460 -0.026 0.000 1.118 213 Y HN -0.001 nan 8.280 nan 0.000 0.547 214 L N 0.379 121.731 121.223 0.216 0.000 2.081 214 L HA -0.207 4.133 4.340 0.001 0.000 0.212 214 L C -0.650 176.292 176.870 0.119 0.000 1.080 214 L CA 1.407 56.230 54.840 -0.029 0.000 0.754 214 L CB -1.727 40.087 42.059 -0.409 0.000 0.893 214 L HN 0.187 nan 8.230 nan 0.000 0.433 215 P HA -0.196 nan 4.420 nan 0.000 0.216 215 P C 1.802 179.185 177.300 0.140 0.000 1.150 215 P CA 1.495 64.671 63.100 0.128 0.000 0.843 215 P CB 0.027 31.746 31.700 0.031 0.000 0.787 216 I N -1.531 119.119 120.570 0.133 0.000 2.226 216 I HA -0.222 3.948 4.170 0.001 0.000 0.245 216 I C 2.189 178.410 176.117 0.173 0.000 1.100 216 I CA 1.352 62.737 61.300 0.141 0.000 1.374 216 I CB -0.600 37.504 38.000 0.174 0.000 1.057 216 I HN -0.073 nan 8.210 nan 0.000 0.413 217 L N 0.357 121.716 121.223 0.227 0.000 2.109 217 L HA -0.118 4.222 4.340 0.001 0.000 0.207 217 L C 2.909 179.950 176.870 0.284 0.000 1.086 217 L CA 1.043 56.040 54.840 0.262 0.000 0.760 217 L CB -0.812 41.442 42.059 0.324 0.000 0.910 217 L HN 0.212 nan 8.230 nan 0.000 0.437 218 A N 0.385 123.416 122.820 0.353 0.000 1.883 218 A HA -0.287 4.034 4.320 0.001 0.000 0.217 218 A C 2.293 179.956 177.584 0.131 0.000 1.186 218 A CA 2.092 54.274 52.037 0.241 0.000 0.624 218 A CB -0.611 18.541 19.000 0.253 0.000 0.822 218 A HN 0.500 nan 8.150 nan 0.000 0.444 219 E N -0.127 120.147 120.200 0.122 0.000 2.110 219 E HA -0.114 4.236 4.350 0.001 0.000 0.193 219 E C 1.913 178.559 176.600 0.076 0.000 0.988 219 E CA 1.018 57.467 56.400 0.082 0.000 0.804 219 E CB -0.256 29.487 29.700 0.071 0.000 0.745 219 E HN 0.522 nan 8.360 nan 0.000 0.458 220 A N -0.214 122.663 122.820 0.095 0.000 2.168 220 A HA 0.148 4.468 4.320 0.001 0.000 0.215 220 A C 1.794 179.424 177.584 0.076 0.000 1.152 220 A CA 1.269 53.356 52.037 0.083 0.000 0.716 220 A CB -0.279 18.778 19.000 0.096 0.000 0.794 220 A HN 0.548 nan 8.150 nan 0.000 0.465 221 G N -2.343 106.503 108.800 0.078 0.000 2.255 221 G HA2 -0.159 3.802 3.960 0.001 0.000 0.196 221 G HA3 -0.159 3.802 3.960 0.001 0.000 0.196 221 G C 0.174 175.107 174.900 0.055 0.000 0.998 221 G CA -0.130 45.005 45.100 0.059 0.000 0.656 221 G HN 0.693 nan 8.290 nan 0.000 0.490 222 V N 1.773 121.740 119.914 0.088 0.000 2.557 222 V HA 0.171 4.291 4.120 0.001 0.000 0.301 222 V C 1.317 177.369 176.094 -0.070 0.000 1.026 222 V CA 1.391 63.736 62.300 0.076 0.000 1.137 222 V CB 1.076 33.037 31.823 0.230 0.000 0.917 222 V HN 0.520 nan 8.190 nan 0.000 0.484 223 E N 3.741 123.892 120.200 -0.081 0.000 2.481 223 E HA 0.283 4.633 4.350 0.001 0.000 0.198 223 E C -0.314 176.148 176.600 -0.230 0.000 1.027 223 E CA -0.086 56.229 56.400 -0.142 0.000 0.900 223 E CB 0.830 30.510 29.700 -0.033 0.000 0.993 223 E HN 0.445 nan 8.360 nan 0.000 0.482 224 L N 0.189 121.259 121.223 -0.256 0.000 2.526 224 L HA 0.356 4.697 4.340 0.001 0.000 0.263 224 L C -1.970 174.853 176.870 -0.079 0.000 0.943 224 L CA -0.629 54.083 54.840 -0.212 0.000 0.859 224 L CB 1.427 43.474 42.059 -0.020 0.000 1.313 224 L HN -0.226 nan 8.230 nan 0.000 0.406 225 F N 3.108 123.075 119.950 0.029 0.000 2.325 225 F HA 0.465 4.993 4.527 0.001 0.000 0.369 225 F C 0.417 176.231 175.800 0.023 0.000 1.095 225 F CA -0.831 57.183 58.000 0.023 0.000 1.082 225 F CB 1.173 40.194 39.000 0.037 0.000 1.289 225 F HN 0.486 nan 8.300 nan 0.000 0.462 226 E N 2.132 122.452 120.200 0.201 0.000 2.259 226 E HA 0.127 4.477 4.350 0.001 0.000 0.281 226 E C 0.004 176.667 176.600 0.105 0.000 1.027 226 E CA -0.662 55.820 56.400 0.137 0.000 0.838 226 E CB 0.694 30.470 29.700 0.126 0.000 1.066 226 E HN 0.508 nan 8.360 nan 0.000 0.401 227 Q N 4.292 124.150 119.800 0.098 0.000 2.357 227 Q HA -0.174 4.166 4.340 0.001 0.000 0.366 227 Q C -1.921 174.093 176.000 0.024 0.000 1.256 227 Q CA 0.594 56.434 55.803 0.063 0.000 1.183 227 Q CB 0.089 28.854 28.738 0.044 0.000 1.346 227 Q HN 0.445 nan 8.270 nan 0.000 0.307 228 P HA -0.038 nan 4.420 nan 0.000 0.227 228 P C 0.074 177.400 177.300 0.042 0.000 1.161 228 P CA 1.073 64.149 63.100 -0.040 0.000 0.788 228 P CB 0.408 32.081 31.700 -0.045 0.000 0.822 229 T N -4.615 109.980 114.554 0.069 0.000 2.910 229 T HA 0.564 4.914 4.350 0.001 0.000 0.287 229 T C -3.066 171.664 174.700 0.051 0.000 1.050 229 T CA -2.853 59.299 62.100 0.088 0.000 1.011 229 T CB 0.698 69.626 68.868 0.100 0.000 1.195 229 T HN -0.295 nan 8.240 nan 0.000 0.540 230 P HA 0.141 nan 4.420 nan 0.000 0.263 230 P C 0.708 178.019 177.300 0.018 0.000 1.175 230 P CA 0.229 63.343 63.100 0.023 0.000 0.761 230 P CB 0.148 31.863 31.700 0.025 0.000 0.794 231 A N 4.100 126.921 122.820 0.001 0.000 1.917 231 A HA -0.258 4.062 4.320 0.001 0.000 0.219 231 A C 1.720 179.317 177.584 0.022 0.000 1.182 231 A CA 2.404 54.452 52.037 0.018 0.000 0.633 231 A CB -1.455 17.555 19.000 0.018 0.000 0.819 231 A HN 0.702 nan 8.150 nan 0.000 0.448 232 D N -0.815 119.588 120.400 0.005 0.000 2.264 232 D HA -0.090 4.550 4.640 0.001 0.000 0.208 232 D C 0.538 176.846 176.300 0.013 0.000 0.966 232 D CA 0.929 54.930 54.000 0.002 0.000 0.864 232 D CB -0.225 40.569 40.800 -0.009 0.000 0.933 232 D HN 0.265 nan 8.370 nan 0.000 0.499 233 D N 0.106 120.519 120.400 0.022 0.000 2.563 233 D HA 0.099 4.739 4.640 0.001 0.000 0.222 233 D C 1.091 177.413 176.300 0.036 0.000 1.145 233 D CA -0.207 53.809 54.000 0.028 0.000 1.001 233 D CB 0.166 40.985 40.800 0.032 0.000 1.049 233 D HN 0.213 nan 8.370 nan 0.000 0.515 234 L N 1.219 122.463 121.223 0.034 0.000 2.141 234 L HA -0.074 4.266 4.340 0.001 0.000 0.209 234 L C 2.044 178.937 176.870 0.040 0.000 1.094 234 L CA 0.786 55.650 54.840 0.040 0.000 0.763 234 L CB -0.139 41.941 42.059 0.035 0.000 0.908 234 L HN 0.292 nan 8.230 nan 0.000 0.437 235 E N -0.209 120.011 120.200 0.033 0.000 2.110 235 E HA -0.174 4.176 4.350 0.001 0.000 0.193 235 E C 2.116 178.740 176.600 0.040 0.000 0.988 235 E CA 1.648 58.067 56.400 0.032 0.000 0.804 235 E CB -0.057 29.658 29.700 0.025 0.000 0.745 235 E HN 0.387 nan 8.360 nan 0.000 0.458 236 T N 1.304 115.885 114.554 0.044 0.000 2.821 236 T HA -0.088 4.262 4.350 0.001 0.000 0.267 236 T C 1.872 176.612 174.700 0.068 0.000 1.046 236 T CA 0.664 62.796 62.100 0.054 0.000 1.139 236 T CB -0.101 68.800 68.868 0.055 0.000 0.871 236 T HN 0.094 nan 8.240 nan 0.000 0.454 237 L N 0.648 121.913 121.223 0.069 0.000 2.042 237 L HA -0.122 4.219 4.340 0.001 0.000 0.210 237 L C 2.825 179.744 176.870 0.082 0.000 1.076 237 L CA 1.305 56.195 54.840 0.084 0.000 0.749 237 L CB -0.461 41.644 42.059 0.077 0.000 0.893 237 L HN 0.140 nan 8.230 nan 0.000 0.432 238 R N 0.812 121.350 120.500 0.062 0.000 2.073 238 R HA -0.218 4.123 4.340 0.001 0.000 0.234 238 R C 2.106 178.440 176.300 0.057 0.000 1.134 238 R CA 1.769 57.901 56.100 0.053 0.000 0.952 238 R CB -0.427 29.897 30.300 0.040 0.000 0.850 238 R HN 0.230 nan 8.270 nan 0.000 0.433 239 E N 0.711 120.944 120.200 0.056 0.000 2.110 239 E HA -0.131 4.220 4.350 0.001 0.000 0.193 239 E C 1.892 178.535 176.600 0.071 0.000 0.988 239 E CA 1.799 58.231 56.400 0.053 0.000 0.804 239 E CB -0.384 29.343 29.700 0.045 0.000 0.745 239 E HN 0.622 nan 8.360 nan 0.000 0.458 240 I N -2.123 118.504 120.570 0.094 0.000 2.286 240 I HA -0.175 3.995 4.170 0.001 0.000 0.248 240 I C 1.884 178.098 176.117 0.161 0.000 1.115 240 I CA 1.671 63.050 61.300 0.131 0.000 1.392 240 I CB -0.839 37.257 38.000 0.159 0.000 1.065 240 I HN -0.072 nan 8.210 nan 0.000 0.418 241 T N 0.733 115.368 114.554 0.135 0.000 2.857 241 T HA -0.046 4.304 4.350 0.001 0.000 0.266 241 T C 2.053 176.797 174.700 0.074 0.000 1.048 241 T CA 1.087 63.251 62.100 0.106 0.000 1.139 241 T CB -0.257 68.652 68.868 0.068 0.000 0.874 241 T HN 0.355 nan 8.240 nan 0.000 0.455 242 R N 0.723 121.260 120.500 0.062 0.000 2.096 242 R HA 0.045 4.385 4.340 0.001 0.000 0.235 242 R C 2.347 178.674 176.300 0.045 0.000 1.127 242 R CA 1.103 57.230 56.100 0.044 0.000 0.968 242 R CB -0.016 30.306 30.300 0.036 0.000 0.861 242 R HN 0.308 nan 8.270 nan 0.000 0.440 243 R N -0.893 119.642 120.500 0.058 0.000 2.300 243 R HA 0.019 4.360 4.340 0.001 0.000 0.199 243 R C 1.455 177.797 176.300 0.071 0.000 0.920 243 R CA 1.300 57.431 56.100 0.052 0.000 1.046 243 R CB 0.485 30.810 30.300 0.042 0.000 0.984 243 R HN 0.300 nan 8.270 nan 0.000 0.493 244 T N -4.184 110.433 114.554 0.104 0.000 2.966 244 T HA 0.100 4.450 4.350 0.001 0.000 0.254 244 T C 0.705 175.455 174.700 0.085 0.000 0.961 244 T CA -0.342 61.837 62.100 0.132 0.000 0.915 244 T CB 0.283 69.317 68.868 0.276 0.000 1.186 244 T HN 0.010 nan 8.240 nan 0.000 0.505 245 N N 0.731 119.467 118.700 0.060 0.000 2.782 245 N HA -0.128 4.612 4.740 0.001 0.000 0.251 245 N C -0.294 175.203 175.510 -0.022 0.000 1.101 245 N CA 0.922 53.983 53.050 0.019 0.000 0.764 245 N CB -1.589 36.906 38.487 0.014 0.000 1.122 245 N HN 0.673 nan 8.380 nan 0.000 0.561 246 V N -0.426 119.461 119.914 -0.045 0.000 2.555 246 V HA 0.580 4.701 4.120 0.001 0.000 0.302 246 V C 0.587 176.566 176.094 -0.192 0.000 1.038 246 V CA -0.461 61.719 62.300 -0.199 0.000 0.887 246 V CB 2.012 33.554 31.823 -0.470 0.000 0.991 246 V HN 0.191 nan 8.190 nan 0.000 0.434 247 S N 3.925 119.505 115.700 -0.201 0.000 2.563 247 S HA 0.413 4.883 4.470 0.001 0.000 0.284 247 S C -0.057 174.478 174.600 -0.109 0.000 1.331 247 S CA -0.163 57.952 58.200 -0.141 0.000 1.047 247 S CB 1.160 64.259 63.200 -0.169 0.000 0.859 247 S HN 0.763 nan 8.310 nan 0.000 0.514 251 D N 0.187 120.677 120.400 0.150 0.000 3.054 251 D HA 0.072 4.712 4.640 0.001 0.000 0.209 251 D C 1.469 177.894 176.300 0.209 0.000 1.527 251 D CA 0.881 54.995 54.000 0.190 0.000 1.427 251 D CB 0.274 41.207 40.800 0.222 0.000 1.059 251 D HN 0.459 nan 8.370 nan 0.000 0.243 252 E N 0.777 121.025 120.200 0.080 0.000 2.265 252 E HA -0.070 4.281 4.350 0.001 0.000 0.196 252 E C 1.913 178.699 176.600 0.309 0.000 0.996 252 E CA 0.646 57.069 56.400 0.037 0.000 0.832 252 E CB -0.397 29.092 29.700 -0.351 0.000 0.756 252 E HN 0.083 nan 8.360 nan 0.000 0.491 253 S N 0.288 116.106 115.700 0.197 0.000 2.447 253 S HA -0.005 4.466 4.470 0.001 0.000 0.233 253 S C 0.860 175.613 174.600 0.254 0.000 1.006 253 S CA 0.448 58.758 58.200 0.182 0.000 0.957 253 S CB 0.233 63.503 63.200 0.117 0.000 0.773 253 S HN 0.042 nan 8.310 nan 0.000 0.507 254 V N 1.398 121.509 119.914 0.327 0.000 2.325 254 V HA 0.262 4.382 4.120 0.001 0.000 0.280 254 V C -0.500 175.889 176.094 0.491 0.000 1.016 254 V CA -0.579 61.926 62.300 0.343 0.000 0.818 254 V CB 0.907 32.879 31.823 0.248 0.000 1.019 254 V HN 0.486 nan 8.190 nan 0.000 0.434 255 W N 1.987 123.381 121.300 0.157 0.000 2.952 255 W HA 0.203 4.863 4.660 0.000 0.000 0.251 255 W C 1.457 178.103 176.519 0.212 0.000 1.144 255 W CA 0.704 58.146 57.345 0.162 0.000 1.551 255 W CB -0.161 29.350 29.460 0.086 0.000 0.978 255 W HN 0.552 nan 8.180 nan 0.000 0.648 256 T N -2.926 111.827 114.554 0.331 0.000 2.952 256 T HA 0.382 4.732 4.350 0.001 0.000 0.286 256 T C -1.985 172.754 174.700 0.064 0.000 1.024 256 T CA -2.032 60.160 62.100 0.154 0.000 1.029 256 T CB 2.359 71.280 68.868 0.089 0.000 1.094 256 T HN -0.374 nan 8.240 nan 0.000 0.515 257 P HA -0.004 nan 4.420 nan 0.000 0.216 257 P C 1.611 178.917 177.300 0.010 0.000 1.150 257 P CA 1.448 64.541 63.100 -0.011 0.000 0.837 257 P CB -0.241 31.451 31.700 -0.013 0.000 0.786 258 A N -0.099 122.731 122.820 0.016 0.000 1.902 258 A HA -0.229 4.092 4.320 0.001 0.000 0.217 258 A C 2.118 179.716 177.584 0.023 0.000 1.181 258 A CA 1.653 53.698 52.037 0.014 0.000 0.623 258 A CB -1.177 17.827 19.000 0.007 0.000 0.818 258 A HN 0.177 nan 8.150 nan 0.000 0.443 259 E N -0.319 119.905 120.200 0.040 0.000 2.150 259 E HA -0.052 4.298 4.350 0.001 0.000 0.193 259 E C 2.256 178.895 176.600 0.065 0.000 0.985 259 E CA 0.805 57.239 56.400 0.057 0.000 0.814 259 E CB -0.242 29.514 29.700 0.094 0.000 0.752 259 E HN 0.628 nan 8.360 nan 0.000 0.466 260 A N 1.420 124.275 122.820 0.058 0.000 1.898 260 A HA -0.137 4.184 4.320 0.001 0.000 0.216 260 A C 2.141 179.746 177.584 0.034 0.000 1.181 260 A CA 0.753 52.819 52.037 0.048 0.000 0.620 260 A CB -0.551 18.460 19.000 0.017 0.000 0.819 260 A HN 0.249 nan 8.150 nan 0.000 0.442 261 L N -0.613 120.624 121.223 0.024 0.000 2.083 261 L HA -0.190 4.151 4.340 0.001 0.000 0.209 261 L C 2.799 179.682 176.870 0.021 0.000 1.083 261 L CA 1.730 56.582 54.840 0.019 0.000 0.752 261 L CB -0.628 41.439 42.059 0.013 0.000 0.899 261 L HN 0.442 nan 8.230 nan 0.000 0.433 262 A N -0.847 121.988 122.820 0.025 0.000 1.933 262 A HA -0.157 4.163 4.320 0.001 0.000 0.218 262 A C 2.225 179.826 177.584 0.029 0.000 1.175 262 A CA 1.673 53.724 52.037 0.024 0.000 0.628 262 A CB -0.748 18.266 19.000 0.023 0.000 0.814 262 A HN 0.313 nan 8.150 nan 0.000 0.444 263 V N -0.517 119.420 119.914 0.038 0.000 2.427 263 V HA -0.206 3.915 4.120 0.001 0.000 0.248 263 V C 2.584 178.697 176.094 0.033 0.000 1.051 263 V CA 1.884 64.209 62.300 0.042 0.000 1.048 263 V CB -0.444 31.413 31.823 0.057 0.000 0.666 263 V HN 0.381 nan 8.190 nan 0.000 0.456 264 V N -0.259 119.672 119.914 0.028 0.000 2.295 264 V HA -0.281 3.839 4.120 0.001 0.000 0.246 264 V C 2.421 178.526 176.094 0.018 0.000 1.049 264 V CA 2.106 64.418 62.300 0.022 0.000 1.024 264 V CB -0.645 31.189 31.823 0.018 0.000 0.648 264 V HN 0.531 nan 8.190 nan 0.000 0.447 265 K N 0.201 120.611 120.400 0.018 0.000 2.097 265 K HA -0.104 4.216 4.320 0.001 0.000 0.206 265 K C 1.955 178.565 176.600 0.016 0.000 1.049 265 K CA 1.520 57.816 56.287 0.015 0.000 0.933 265 K CB -0.305 32.203 32.500 0.013 0.000 0.717 265 K HN 0.485 nan 8.250 nan 0.000 0.442 266 A N 0.672 123.504 122.820 0.020 0.000 2.251 266 A HA -0.031 4.290 4.320 0.001 0.000 0.209 266 A C 0.128 177.726 177.584 0.023 0.000 1.187 266 A CA 0.035 52.085 52.037 0.021 0.000 0.823 266 A CB -0.068 18.947 19.000 0.025 0.000 0.846 266 A HN 0.337 nan 8.150 nan 0.000 0.486 267 Q N -2.018 117.795 119.800 0.021 0.000 2.434 267 Q HA -0.296 4.044 4.340 0.001 0.000 0.299 267 Q C 1.082 177.098 176.000 0.026 0.000 1.286 267 Q CA 0.290 56.105 55.803 0.020 0.000 0.872 267 Q CB -1.963 26.784 28.738 0.016 0.000 1.193 267 Q HN 0.826 nan 8.270 nan 0.000 0.466 268 A N -0.512 122.328 122.820 0.032 0.000 2.067 268 A HA 0.430 4.750 4.320 0.001 0.000 0.217 268 A C 0.854 178.466 177.584 0.046 0.000 1.156 268 A CA 1.232 53.294 52.037 0.042 0.000 0.683 268 A CB 0.457 19.485 19.000 0.047 0.000 0.808 268 A HN 0.775 nan 8.150 nan 0.000 0.455 269 A N -1.216 121.625 122.820 0.036 0.000 2.577 269 A HA 0.526 4.846 4.320 0.001 0.000 0.297 269 A C -0.640 176.947 177.584 0.006 0.000 1.060 269 A CA -0.312 51.742 52.037 0.030 0.000 0.697 269 A CB 0.459 19.487 19.000 0.047 0.000 1.281 269 A HN -0.039 nan 8.150 nan 0.000 0.402 270 D N -0.051 120.335 120.400 -0.023 0.000 2.289 270 D HA 0.172 4.812 4.640 0.001 0.000 0.207 270 D C 0.428 176.685 176.300 -0.073 0.000 0.966 270 D CA 1.520 55.486 54.000 -0.057 0.000 0.868 270 D CB 0.381 41.121 40.800 -0.100 0.000 0.943 270 D HN 0.309 nan 8.370 nan 0.000 0.514 271 V N 0.892 120.773 119.914 -0.055 0.000 2.925 271 V HA 0.409 4.530 4.120 0.001 0.000 0.311 271 V C -0.268 175.859 176.094 0.055 0.000 1.104 271 V CA -0.879 61.404 62.300 -0.029 0.000 0.954 271 V CB 2.961 34.718 31.823 -0.110 0.000 1.022 271 V HN -0.178 nan 8.190 nan 0.000 0.427 272 I N 2.464 123.095 120.570 0.103 0.000 2.404 272 I HA 0.643 4.813 4.170 0.001 0.000 0.293 272 I C 0.474 176.707 176.117 0.194 0.000 0.992 272 I CA -0.701 60.682 61.300 0.139 0.000 1.149 272 I CB 1.958 40.034 38.000 0.127 0.000 1.315 272 I HN 0.751 nan 8.210 nan 0.000 0.446 273 A N 7.441 130.378 122.820 0.194 0.000 2.539 273 A HA 0.316 4.637 4.320 0.001 0.000 0.306 273 A C -0.424 177.248 177.584 0.147 0.000 1.392 273 A CA -0.265 51.894 52.037 0.203 0.000 1.060 273 A CB -0.104 19.007 19.000 0.184 0.000 1.134 273 A HN 0.524 nan 8.150 nan 0.000 0.542 274 L N 3.445 124.765 121.223 0.163 0.000 2.283 274 L HA 0.396 4.736 4.340 0.001 0.000 0.287 274 L C -0.309 176.519 176.870 -0.069 0.000 1.073 274 L CA 0.400 55.358 54.840 0.196 0.000 0.822 274 L CB -0.089 42.081 42.059 0.184 0.000 1.186 274 L HN 0.574 nan 8.230 nan 0.000 0.436 275 K N 3.331 123.524 120.400 -0.345 0.000 2.463 275 K HA 0.275 4.596 4.320 0.001 0.000 0.255 275 K C 1.079 177.364 176.600 -0.525 0.000 0.942 275 K CA -0.057 55.956 56.287 -0.456 0.000 0.814 275 K CB 1.636 33.820 32.500 -0.527 0.000 1.122 275 K HN 0.666 nan 8.250 nan 0.000 0.425 276 T N -1.978 112.336 114.554 -0.400 0.000 2.881 276 T HA -0.210 4.140 4.350 0.001 0.000 0.270 276 T C 1.840 176.344 174.700 -0.328 0.000 1.068 276 T CA 2.013 63.896 62.100 -0.363 0.000 1.131 276 T CB -0.461 68.205 68.868 -0.336 0.000 0.871 276 T HN 0.653 nan 8.240 nan 0.000 0.479 277 T N 0.436 114.767 114.554 -0.372 0.000 2.770 277 T HA 0.047 4.397 4.350 0.001 0.000 0.258 277 T C 1.934 176.189 174.700 -0.740 0.000 1.039 277 T CA 1.090 62.970 62.100 -0.367 0.000 1.143 277 T CB -0.360 68.370 68.868 -0.229 0.000 0.866 277 T HN 0.474 nan 8.240 nan 0.000 0.428 278 K N 0.373 120.130 120.400 -1.071 0.000 2.097 278 K HA -0.181 4.139 4.320 0.001 0.000 0.206 278 K C 2.206 178.273 176.600 -0.888 0.000 1.049 278 K CA 1.319 56.621 56.287 -1.642 0.000 0.933 278 K CB -0.241 31.458 32.500 -1.335 0.000 0.717 278 K HN 0.455 nan 8.250 nan 0.000 0.442 279 H N -0.975 117.832 119.070 -0.439 0.000 2.547 279 H HA 0.079 4.635 4.556 0.001 0.000 0.272 279 H C 1.193 176.429 175.328 -0.154 0.000 0.989 279 H CA 1.133 57.049 56.048 -0.219 0.000 1.214 279 H CB 0.502 30.141 29.762 -0.204 0.000 1.389 279 H HN 0.576 nan 8.280 nan 0.000 0.577 280 G N -0.495 108.239 108.800 -0.110 0.000 2.131 280 G HA2 0.007 3.967 3.960 0.001 0.000 0.201 280 G HA3 0.007 3.967 3.960 0.001 0.000 0.201 280 G C 0.564 175.449 174.900 -0.025 0.000 1.000 280 G CA 0.252 45.324 45.100 -0.046 0.000 0.680 280 G HN 0.921 nan 8.290 nan 0.000 0.514 281 G N -1.984 106.777 108.800 -0.064 0.000 2.381 281 G HA2 0.231 4.191 3.960 0.001 0.000 0.672 281 G HA3 0.231 4.191 3.960 0.001 0.000 0.672 281 G C 0.591 175.434 174.900 -0.096 0.000 1.324 281 G CA -0.108 44.964 45.100 -0.048 0.000 0.975 281 G HN 0.978 nan 8.290 nan 0.000 0.593 282 L N 0.331 121.479 121.223 -0.124 0.000 2.093 282 L HA 0.070 4.410 4.340 0.001 0.000 0.208 282 L C 3.016 179.879 176.870 -0.011 0.000 1.085 282 L CA 1.067 55.813 54.840 -0.156 0.000 0.755 282 L CB -0.462 41.381 42.059 -0.361 0.000 0.904 282 L HN 0.543 nan 8.230 nan 0.000 0.435 283 L N -0.741 120.518 121.223 0.059 0.000 2.017 283 L HA -0.177 4.163 4.340 0.001 0.000 0.208 283 L C 2.752 179.659 176.870 0.062 0.000 1.073 283 L CA 1.115 56.023 54.840 0.113 0.000 0.745 283 L CB -0.673 41.477 42.059 0.151 0.000 0.894 283 L HN 0.263 nan 8.230 nan 0.000 0.432 284 E N 0.178 120.393 120.200 0.025 0.000 2.077 284 E HA -0.155 4.196 4.350 0.001 0.000 0.193 284 E C 2.384 178.937 176.600 -0.079 0.000 0.989 284 E CA 1.297 57.691 56.400 -0.010 0.000 0.800 284 E CB -0.244 29.459 29.700 0.005 0.000 0.746 284 E HN 0.357 nan 8.360 nan 0.000 0.452 285 S N 0.940 116.567 115.700 -0.121 0.000 2.383 285 S HA -0.128 4.343 4.470 0.001 0.000 0.229 285 S C 1.779 176.387 174.600 0.013 0.000 1.030 285 S CA 0.981 59.015 58.200 -0.276 0.000 1.002 285 S CB -0.010 62.734 63.200 -0.761 0.000 0.829 285 S HN 0.146 nan 8.310 nan 0.000 0.467 286 K N 1.437 121.974 120.400 0.228 0.000 2.097 286 K HA -0.000 4.320 4.320 0.001 0.000 0.206 286 K C 1.950 178.616 176.600 0.110 0.000 1.049 286 K CA 1.010 57.463 56.287 0.277 0.000 0.933 286 K CB -0.246 32.370 32.500 0.192 0.000 0.717 286 K HN 0.407 nan 8.250 nan 0.000 0.442 287 K N 0.542 120.966 120.400 0.039 0.000 2.057 287 K HA -0.040 4.281 4.320 0.001 0.000 0.206 287 K C 2.128 178.708 176.600 -0.034 0.000 1.050 287 K CA 0.868 57.156 56.287 0.001 0.000 0.935 287 K CB -0.137 32.356 32.500 -0.011 0.000 0.715 287 K HN 0.006 nan 8.250 nan 0.000 0.439 288 I N 1.612 122.112 120.570 -0.117 0.000 2.163 288 I HA -0.262 3.908 4.170 0.001 0.000 0.243 288 I C 2.575 178.665 176.117 -0.045 0.000 1.085 288 I CA 1.461 62.655 61.300 -0.177 0.000 1.347 288 I CB -1.427 36.263 38.000 -0.516 0.000 1.044 288 I HN 0.128 nan 8.210 nan 0.000 0.408 289 A N 0.901 123.743 122.820 0.036 0.000 1.902 289 A HA -0.134 4.186 4.320 0.001 0.000 0.217 289 A C 2.596 180.209 177.584 0.047 0.000 1.181 289 A CA 2.141 54.234 52.037 0.093 0.000 0.623 289 A CB -0.819 18.297 19.000 0.193 0.000 0.818 289 A HN 0.434 nan 8.150 nan 0.000 0.443 290 A N -0.092 122.749 122.820 0.035 0.000 1.877 290 A HA -0.102 4.219 4.320 0.001 0.000 0.216 290 A C 2.139 179.731 177.584 0.014 0.000 1.186 290 A CA 1.622 53.670 52.037 0.020 0.000 0.620 290 A CB -0.616 18.395 19.000 0.017 0.000 0.822 290 A HN 0.508 nan 8.150 nan 0.000 0.443 291 I N -0.377 120.199 120.570 0.009 0.000 2.202 291 I HA -0.244 3.927 4.170 0.001 0.000 0.242 291 I C 3.001 179.126 176.117 0.013 0.000 1.091 291 I CA 0.995 62.300 61.300 0.008 0.000 1.368 291 I CB -0.403 37.598 38.000 0.001 0.000 1.058 291 I HN 0.349 nan 8.210 nan 0.000 0.410 292 A N 0.434 123.265 122.820 0.018 0.000 1.883 292 A HA -0.299 4.022 4.320 0.001 0.000 0.217 292 A C 2.336 179.935 177.584 0.024 0.000 1.186 292 A CA 2.176 54.228 52.037 0.027 0.000 0.624 292 A CB -0.774 18.251 19.000 0.041 0.000 0.822 292 A HN 0.520 nan 8.150 nan 0.000 0.444 293 E N -0.200 120.015 120.200 0.025 0.000 2.077 293 E HA -0.133 4.218 4.350 0.001 0.000 0.193 293 E C 2.095 178.702 176.600 0.013 0.000 0.989 293 E CA 1.066 57.477 56.400 0.019 0.000 0.800 293 E CB -0.273 29.437 29.700 0.017 0.000 0.746 293 E HN 0.532 nan 8.360 nan 0.000 0.452 294 A N 0.542 123.368 122.820 0.011 0.000 1.972 294 A HA -0.067 4.254 4.320 0.001 0.000 0.219 294 A C 2.230 179.819 177.584 0.008 0.000 1.169 294 A CA 1.522 53.564 52.037 0.009 0.000 0.635 294 A CB -0.675 18.330 19.000 0.008 0.000 0.810 294 A HN 0.398 nan 8.150 nan 0.000 0.446 295 G N -2.239 106.567 108.800 0.010 0.000 3.233 295 G HA2 0.384 4.345 3.960 0.001 0.000 0.227 295 G HA3 0.384 4.345 3.960 0.001 0.000 0.227 295 G C 1.111 176.015 174.900 0.008 0.000 1.175 295 G CA 0.464 45.570 45.100 0.009 0.000 0.781 295 G HN 1.572 nan 8.290 nan 0.000 0.542 296 G N -0.308 108.496 108.800 0.007 0.000 2.162 296 G HA2 -0.275 3.686 3.960 0.001 0.000 0.260 296 G HA3 -0.275 3.686 3.960 0.001 0.000 0.260 296 G C 0.419 175.320 174.900 0.002 0.000 0.976 296 G CA 0.367 45.469 45.100 0.004 0.000 0.655 296 G HN 0.485 nan 8.290 nan 0.000 0.533 297 L N 0.627 121.855 121.223 0.008 0.000 2.371 297 L HA 0.658 4.998 4.340 0.001 0.000 0.272 297 L C 1.038 177.918 176.870 0.016 0.000 1.124 297 L CA -0.259 54.584 54.840 0.006 0.000 0.816 297 L CB 1.305 43.374 42.059 0.017 0.000 1.129 297 L HN 0.290 nan 8.230 nan 0.000 0.448 298 A N 2.193 125.014 122.820 0.002 0.000 2.316 298 A HA 0.496 4.817 4.320 0.001 0.000 0.284 298 A C -0.557 177.081 177.584 0.090 0.000 1.115 298 A CA -0.349 51.708 52.037 0.033 0.000 0.812 298 A CB 0.678 19.666 19.000 -0.020 0.000 1.064 298 A HN 0.785 nan 8.150 nan 0.000 0.489 299 C N 0.999 120.386 119.300 0.145 0.000 2.382 299 C HA 0.638 5.099 4.460 0.001 0.000 0.327 299 C C -0.031 175.129 174.990 0.284 0.000 1.250 299 C CA -0.232 58.902 59.018 0.193 0.000 1.707 299 C CB 0.448 28.291 27.740 0.171 0.000 2.272 299 C HN 0.991 nan 8.230 nan 0.000 0.506 300 H N 0.414 119.597 119.070 0.189 0.000 2.466 300 H HA 0.514 5.070 4.556 0.001 0.000 0.338 300 H C 0.511 175.908 175.328 0.117 0.000 1.091 300 H CA 0.070 56.231 56.048 0.188 0.000 1.207 300 H CB 1.152 31.059 29.762 0.243 0.000 1.466 300 H HN 0.811 nan 8.280 nan 0.000 0.493 301 G N 4.185 112.816 108.800 -0.282 0.000 2.778 301 G HA2 0.427 4.387 3.960 0.001 0.000 0.287 301 G HA3 0.427 4.387 3.960 0.001 0.000 0.287 301 G C 0.116 174.774 174.900 -0.403 0.000 0.747 301 G CA 0.153 45.113 45.100 -0.233 0.000 1.961 301 G HN 0.824 nan 8.290 nan 0.000 0.539 302 A N 2.172 124.853 122.820 -0.233 0.000 2.280 302 A HA 0.822 5.143 4.320 0.001 0.000 0.268 302 A C 0.621 178.074 177.584 -0.218 0.000 1.111 302 A CA -0.115 51.833 52.037 -0.149 0.000 0.814 302 A CB 1.094 20.109 19.000 0.024 0.000 1.093 302 A HN 0.686 nan 8.150 nan 0.000 0.498 303 T N -1.282 113.138 114.554 -0.224 0.000 2.900 303 T HA 0.481 4.832 4.350 0.001 0.000 0.295 303 T C 0.147 174.658 174.700 -0.313 0.000 1.044 303 T CA -0.162 61.747 62.100 -0.318 0.000 0.995 303 T CB 1.346 69.928 68.868 -0.477 0.000 1.072 303 T HN 0.430 nan 8.240 nan 0.000 0.473 304 S N 2.808 118.300 115.700 -0.348 0.000 2.582 304 S HA 0.271 4.741 4.470 0.001 0.000 0.234 304 S C -0.131 174.276 174.600 -0.322 0.000 0.961 304 S CA -0.329 57.628 58.200 -0.404 0.000 0.953 304 S CB -0.467 62.495 63.200 -0.397 0.000 0.800 304 S HN 0.717 nan 8.310 nan 0.000 0.471 305 L N 1.526 122.559 121.223 -0.317 0.000 3.487 305 L HA -0.143 4.198 4.340 0.001 0.000 0.450 305 L C -0.176 176.557 176.870 -0.228 0.000 1.290 305 L CA 0.329 54.995 54.840 -0.291 0.000 0.874 305 L CB -2.124 39.840 42.059 -0.158 0.000 1.804 305 L HN 0.253 nan 8.230 nan 0.000 0.831 306 E N -0.384 119.673 120.200 -0.239 0.000 2.383 306 E HA 0.520 4.871 4.350 0.001 0.000 0.264 306 E C 1.174 177.710 176.600 -0.107 0.000 1.050 306 E CA 0.585 56.894 56.400 -0.151 0.000 0.896 306 E CB 0.448 30.058 29.700 -0.149 0.000 0.982 306 E HN 0.393 nan 8.360 nan 0.000 0.424 307 G N 2.210 111.010 108.800 0.001 0.000 2.486 307 G HA2 0.054 4.014 3.960 0.001 0.000 0.272 307 G HA3 0.054 4.014 3.960 0.001 0.000 0.272 307 G C -1.376 173.529 174.900 0.008 0.000 1.426 307 G CA -0.608 44.534 45.100 0.070 0.000 1.058 307 G HN 0.453 nan 8.290 nan 0.000 0.531 308 P HA -0.089 nan 4.420 nan 0.000 0.216 308 P C 1.845 179.204 177.300 0.100 0.000 1.150 308 P CA 0.944 64.098 63.100 0.090 0.000 0.837 308 P CB 0.181 31.824 31.700 -0.094 0.000 0.786 309 I N 0.249 120.820 120.570 0.000 0.000 2.202 309 I HA -0.093 4.077 4.170 0.001 0.000 0.242 309 I C 2.730 178.893 176.117 0.076 0.000 1.091 309 I CA 1.844 63.188 61.300 0.074 0.000 1.368 309 I CB -2.071 36.011 38.000 0.136 0.000 1.058 309 I HN 0.015 nan 8.210 nan 0.000 0.410 310 G N 0.296 109.128 108.800 0.053 0.000 2.421 310 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 310 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 310 G C 1.650 176.522 174.900 -0.048 0.000 1.171 310 G CA 1.446 46.543 45.100 -0.005 0.000 0.775 310 G HN 0.326 nan 8.290 nan 0.000 0.543 311 T N 1.715 116.224 114.554 -0.074 0.000 2.746 311 T HA -0.007 4.343 4.350 0.001 0.000 0.267 311 T C 2.806 177.462 174.700 -0.074 0.000 1.039 311 T CA 1.556 63.563 62.100 -0.154 0.000 1.142 311 T CB -0.395 68.284 68.868 -0.314 0.000 0.866 311 T HN 0.390 nan 8.240 nan 0.000 0.444 312 A N 1.648 124.512 122.820 0.073 0.000 1.883 312 A HA 0.085 4.405 4.320 0.001 0.000 0.217 312 A C 2.681 180.304 177.584 0.065 0.000 1.186 312 A CA 2.017 54.144 52.037 0.149 0.000 0.624 312 A CB -1.288 17.823 19.000 0.185 0.000 0.822 312 A HN 0.514 nan 8.150 nan 0.000 0.444 313 A N -0.559 122.286 122.820 0.041 0.000 1.859 313 A HA -0.150 4.171 4.320 0.001 0.000 0.217 313 A C 2.440 180.031 177.584 0.012 0.000 1.198 313 A CA 2.314 54.364 52.037 0.021 0.000 0.629 313 A CB -1.176 17.823 19.000 -0.001 0.000 0.830 313 A HN 0.477 nan 8.150 nan 0.000 0.446 314 S N -0.364 115.316 115.700 -0.033 0.000 2.419 314 S HA -0.102 4.369 4.470 0.001 0.000 0.235 314 S C 1.716 176.338 174.600 0.036 0.000 1.019 314 S CA 1.426 59.606 58.200 -0.034 0.000 0.982 314 S CB -0.438 62.690 63.200 -0.119 0.000 0.789 314 S HN 0.478 nan 8.310 nan 0.000 0.490 315 L N 0.898 122.126 121.223 0.008 0.000 2.179 315 L HA -0.060 4.281 4.340 0.001 0.000 0.208 315 L C 2.702 179.592 176.870 0.033 0.000 1.096 315 L CA 0.740 55.585 54.840 0.009 0.000 0.779 315 L CB -0.388 41.669 42.059 -0.004 0.000 0.922 315 L HN 0.245 nan 8.230 nan 0.000 0.443 316 Q N -0.506 119.324 119.800 0.049 0.000 2.084 316 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 316 Q C 2.157 178.179 176.000 0.036 0.000 0.978 316 Q CA 1.723 57.547 55.803 0.034 0.000 0.844 316 Q CB -0.467 28.293 28.738 0.036 0.000 0.898 316 Q HN 0.431 nan 8.270 nan 0.000 0.426 317 F N 1.447 121.359 119.950 -0.064 0.000 2.102 317 F HA -0.189 4.339 4.527 0.001 0.000 0.298 317 F C 2.230 177.999 175.800 -0.052 0.000 1.105 317 F CA 1.569 59.529 58.000 -0.066 0.000 1.239 317 F CB -0.268 38.688 39.000 -0.073 0.000 0.991 317 F HN 0.052 nan 8.300 nan 0.000 0.474 318 A N 0.271 123.144 122.820 0.089 0.000 1.978 318 A HA -0.078 4.242 4.320 0.001 0.000 0.220 318 A C 2.301 179.824 177.584 -0.102 0.000 1.170 318 A CA 1.615 53.644 52.037 -0.012 0.000 0.636 318 A CB -1.484 17.537 19.000 0.034 0.000 0.810 318 A HN 0.524 nan 8.150 nan 0.000 0.448 319 A N -0.142 122.627 122.820 -0.086 0.000 2.014 319 A HA 0.051 4.371 4.320 0.001 0.000 0.218 319 A C 2.186 179.695 177.584 -0.125 0.000 1.163 319 A CA 1.858 53.844 52.037 -0.084 0.000 0.652 319 A CB -0.465 18.503 19.000 -0.054 0.000 0.808 319 A HN 1.011 nan 8.150 nan 0.000 0.449 320 S N -2.063 113.518 115.700 -0.198 0.000 2.559 320 S HA 0.175 4.645 4.470 0.001 0.000 0.226 320 S C 0.170 174.583 174.600 -0.311 0.000 1.000 320 S CA 0.140 58.209 58.200 -0.218 0.000 0.948 320 S CB -0.032 63.050 63.200 -0.195 0.000 0.870 320 S HN 0.166 nan 8.310 nan 0.000 0.497 321 T N 2.853 117.162 114.554 -0.409 0.000 2.893 321 T HA 0.374 4.724 4.350 0.001 0.000 0.324 321 T C 0.638 175.212 174.700 -0.211 0.000 1.082 321 T CA -0.718 61.127 62.100 -0.426 0.000 0.983 321 T CB 1.506 69.865 68.868 -0.847 0.000 1.005 321 T HN -0.034 nan 8.240 nan 0.000 0.475 322 K N 2.947 123.266 120.400 -0.135 0.000 2.103 322 K HA -0.061 4.259 4.320 0.001 0.000 0.207 322 K C 2.211 178.789 176.600 -0.038 0.000 1.048 322 K CA 1.270 57.515 56.287 -0.070 0.000 0.930 322 K CB -0.516 31.953 32.500 -0.051 0.000 0.716 322 K HN 0.672 nan 8.250 nan 0.000 0.444 323 A N 1.040 123.837 122.820 -0.039 0.000 2.131 323 A HA -0.102 4.219 4.320 0.001 0.000 0.220 323 A C 0.945 178.560 177.584 0.052 0.000 1.158 323 A CA 0.567 52.611 52.037 0.011 0.000 0.665 323 A CB -0.356 18.657 19.000 0.021 0.000 0.795 323 A HN 0.175 nan 8.150 nan 0.000 0.460 324 I N 1.871 122.464 120.570 0.038 0.000 2.293 324 I HA 0.028 4.198 4.170 0.001 0.000 0.299 324 I C 0.973 177.140 176.117 0.082 0.000 1.153 324 I CA 0.628 61.980 61.300 0.088 0.000 1.302 324 I CB -0.343 37.697 38.000 0.065 0.000 1.460 324 I HN 0.349 nan 8.210 nan 0.000 0.552 325 S N 4.454 120.229 115.700 0.125 0.000 2.593 325 S HA 0.095 4.565 4.470 0.001 0.000 0.236 325 S C 0.297 175.038 174.600 0.235 0.000 0.991 325 S CA -0.222 58.058 58.200 0.133 0.000 0.963 325 S CB -0.046 63.214 63.200 0.099 0.000 0.865 325 S HN 0.524 nan 8.310 nan 0.000 0.488 326 Y N 2.258 122.621 120.300 0.105 0.000 2.614 326 Y HA 0.484 5.034 4.550 0.001 0.000 0.296 326 Y C 0.781 176.830 175.900 0.249 0.000 0.942 326 Y CA -0.297 57.887 58.100 0.139 0.000 1.111 326 Y CB 0.125 38.660 38.460 0.125 0.000 1.182 326 Y HN 0.455 nan 8.280 nan 0.000 0.624 327 G N 1.389 110.227 108.800 0.062 0.000 2.601 327 G HA2 -0.087 3.873 3.960 0.001 0.000 0.261 327 G HA3 -0.087 3.873 3.960 0.001 0.000 0.261 327 G C -0.061 174.793 174.900 -0.075 0.000 1.289 327 G CA 0.271 45.365 45.100 -0.010 0.000 0.920 327 G HN 1.164 nan 8.290 nan 0.000 0.571 328 T N -3.576 110.875 114.554 -0.172 0.000 2.731 328 T HA 0.719 5.069 4.350 0.001 0.000 0.300 328 T C -0.188 174.376 174.700 -0.228 0.000 1.283 328 T CA 0.424 62.241 62.100 -0.472 0.000 1.005 328 T CB 1.896 70.620 68.868 -0.239 0.000 1.420 328 T HN 1.678 nan 8.240 nan 0.000 0.503 329 E N 0.673 120.741 120.200 -0.220 0.000 3.729 329 E HA 0.346 4.697 4.350 0.001 0.000 0.195 329 E C -0.479 176.020 176.600 -0.168 0.000 1.005 329 E CA -0.560 55.877 56.400 0.062 0.000 1.356 329 E CB -0.080 29.757 29.700 0.229 0.000 1.138 329 E HN 0.482 nan 8.360 nan 0.000 0.450 330 L N 2.363 123.495 121.223 -0.153 0.000 2.399 330 L HA 0.272 4.612 4.340 0.001 0.000 0.257 330 L C -0.115 176.691 176.870 -0.107 0.000 1.236 330 L CA -0.433 54.259 54.840 -0.247 0.000 1.144 330 L CB -0.639 41.305 42.059 -0.190 0.000 1.379 330 L HN 0.435 nan 8.230 nan 0.000 0.414 331 F N -1.998 117.883 119.950 -0.114 0.000 2.706 331 F HA 0.413 4.940 4.527 0.001 0.000 0.313 331 F C 1.775 177.446 175.800 -0.215 0.000 1.096 331 F CA -0.389 57.504 58.000 -0.178 0.000 1.219 331 F CB -0.751 38.166 39.000 -0.137 0.000 1.051 331 F HN 0.183 nan 8.300 nan 0.000 0.568 332 G N 2.380 110.825 108.800 -0.591 0.000 2.663 332 G HA2 -0.302 3.659 3.960 0.001 0.000 0.222 332 G HA3 -0.302 3.659 3.960 0.001 0.000 0.222 332 G C -0.623 174.198 174.900 -0.132 0.000 1.146 332 G CA 1.644 46.513 45.100 -0.385 0.000 0.764 332 G HN 0.324 nan 8.290 nan 0.000 0.608 333 P HA -0.082 nan 4.420 nan 0.000 0.215 333 P C 1.831 179.159 177.300 0.046 0.000 1.157 333 P CA 1.364 64.469 63.100 0.008 0.000 0.868 333 P CB -0.126 31.612 31.700 0.063 0.000 0.788 334 Q N -1.390 118.409 119.800 -0.002 0.000 2.443 334 Q HA -0.124 4.217 4.340 0.001 0.000 0.213 334 Q C 1.604 177.674 176.000 0.117 0.000 0.982 334 Q CA 0.672 56.469 55.803 -0.011 0.000 0.894 334 Q CB -0.503 28.099 28.738 -0.227 0.000 0.947 334 Q HN 0.219 nan 8.270 nan 0.000 0.480 335 L N -0.252 121.042 121.223 0.117 0.000 2.477 335 L HA 0.106 4.446 4.340 0.001 0.000 0.220 335 L C 0.380 177.268 176.870 0.031 0.000 1.106 335 L CA 0.623 55.513 54.840 0.084 0.000 0.851 335 L CB 0.346 42.401 42.059 -0.007 0.000 0.994 335 L HN 0.068 nan 8.230 nan 0.000 0.462 336 L N -0.331 120.907 121.223 0.024 0.000 2.350 336 L HA 0.133 4.473 4.340 0.001 0.000 0.275 336 L C 1.452 178.340 176.870 0.029 0.000 1.099 336 L CA -0.079 54.763 54.840 0.003 0.000 0.808 336 L CB 0.810 42.870 42.059 0.001 0.000 1.149 336 L HN -0.021 nan 8.230 nan 0.000 0.442 337 K N 0.596 121.006 120.400 0.018 0.000 2.211 337 K HA -0.100 4.221 4.320 0.001 0.000 0.203 337 K C 0.223 176.870 176.600 0.078 0.000 1.050 337 K CA 1.121 57.440 56.287 0.054 0.000 0.945 337 K CB 0.294 32.830 32.500 0.061 0.000 0.732 337 K HN 0.692 nan 8.250 nan 0.000 0.451 338 D N -2.199 118.235 120.400 0.055 0.000 2.744 338 D HA 0.254 4.894 4.640 0.001 0.000 0.304 338 D C -1.178 175.178 176.300 0.094 0.000 1.179 338 D CA -0.533 53.539 54.000 0.120 0.000 1.024 338 D CB 2.047 43.013 40.800 0.277 0.000 1.453 338 D HN -0.059 nan 8.370 nan 0.000 0.529 339 T N -1.574 113.088 114.554 0.180 0.000 2.716 339 T HA 0.565 4.915 4.350 0.001 0.000 0.286 339 T C -1.247 173.658 174.700 0.342 0.000 1.052 339 T CA -0.444 61.760 62.100 0.172 0.000 1.024 339 T CB 0.543 69.436 68.868 0.042 0.000 1.349 339 T HN 0.425 nan 8.240 nan 0.000 0.525 340 Y N 0.454 120.816 120.300 0.102 0.000 2.750 340 Y HA 0.645 5.196 4.550 0.001 0.000 0.247 340 Y C 0.001 175.911 175.900 0.017 0.000 1.098 340 Y CA -0.744 57.417 58.100 0.101 0.000 1.120 340 Y CB -0.640 37.892 38.460 0.119 0.000 1.210 340 Y HN 0.332 nan 8.280 nan 0.000 0.601 341 I N -0.071 120.378 120.570 -0.201 0.000 3.947 341 I HA 0.322 4.492 4.170 0.001 0.000 0.327 341 I C 1.110 177.140 176.117 -0.145 0.000 1.519 341 I CA -0.383 60.779 61.300 -0.229 0.000 1.122 341 I CB 0.166 37.959 38.000 -0.345 0.000 1.146 341 I HN 0.168 nan 8.210 nan 0.000 0.442 342 V N -0.773 119.095 119.914 -0.076 0.000 0.595 342 V HA -0.483 3.638 4.120 0.001 0.000 0.092 342 V C 0.996 177.037 176.094 -0.088 0.000 1.786 342 V CA 2.342 64.605 62.300 -0.062 0.000 3.384 342 V CB -1.602 30.188 31.823 -0.054 0.000 0.670 342 V HN 0.540 nan 8.190 nan 0.000 0.691 343 Q N 0.599 120.312 119.800 -0.145 0.000 2.308 343 Q HA 0.654 4.995 4.340 0.001 0.000 0.207 343 Q C -0.080 175.780 176.000 -0.233 0.000 1.035 343 Q CA 0.098 55.795 55.803 -0.177 0.000 1.008 343 Q CB 0.700 29.308 28.738 -0.217 0.000 1.168 343 Q HN 0.724 nan 8.270 nan 0.000 0.565 344 E N -0.153 119.914 120.200 -0.220 0.000 2.288 344 E HA 0.398 4.749 4.350 0.001 0.000 0.268 344 E C -1.090 175.363 176.600 -0.246 0.000 0.885 344 E CA -0.608 55.688 56.400 -0.173 0.000 0.767 344 E CB 1.252 30.945 29.700 -0.011 0.000 1.220 344 E HN 0.278 nan 8.360 nan 0.000 0.427 345 F N 1.149 121.098 119.950 -0.001 0.000 2.382 345 F HA 0.160 4.687 4.527 0.001 0.000 0.331 345 F C 0.819 176.562 175.800 -0.096 0.000 1.121 345 F CA -0.245 57.688 58.000 -0.113 0.000 1.183 345 F CB 0.735 39.606 39.000 -0.214 0.000 1.207 345 F HN 0.291 nan 8.300 nan 0.000 0.555 346 E N 2.091 122.292 120.200 0.001 0.000 2.042 346 E HA 0.156 4.506 4.350 0.001 0.000 0.260 346 E C -1.551 175.033 176.600 -0.027 0.000 0.975 346 E CA -0.383 56.030 56.400 0.023 0.000 0.799 346 E CB 0.381 30.086 29.700 0.008 0.000 1.131 346 E HN 0.432 nan 8.360 nan 0.000 0.423 347 Y N 3.418 123.821 120.300 0.171 0.000 2.367 347 Y HA 0.229 4.780 4.550 0.001 0.000 0.342 347 Y C 0.432 176.475 175.900 0.238 0.000 0.979 347 Y CA -0.366 57.833 58.100 0.165 0.000 1.161 347 Y CB 0.815 39.332 38.460 0.095 0.000 1.155 347 Y HN 0.325 nan 8.280 nan 0.000 0.503 348 K N 0.796 121.376 120.400 0.300 0.000 2.597 348 K HA 0.318 4.639 4.320 0.001 0.000 0.282 348 K C -1.265 175.424 176.600 0.148 0.000 0.975 348 K CA -0.929 55.490 56.287 0.220 0.000 0.867 348 K CB 1.519 34.100 32.500 0.135 0.000 1.465 348 K HN 0.396 nan 8.250 nan 0.000 0.417 349 D N 0.791 121.258 120.400 0.112 0.000 2.751 349 D HA -0.186 4.454 4.640 0.001 0.000 0.233 349 D C 0.779 177.128 176.300 0.082 0.000 1.149 349 D CA 2.041 56.087 54.000 0.077 0.000 0.682 349 D CB -1.407 39.426 40.800 0.054 0.000 1.068 349 D HN 1.224 nan 8.370 nan 0.000 0.429 350 G N -0.395 108.472 108.800 0.112 0.000 2.168 350 G HA2 -0.351 3.610 3.960 0.001 0.000 0.257 350 G HA3 -0.351 3.610 3.960 0.001 0.000 0.257 350 G C 0.300 175.253 174.900 0.089 0.000 0.997 350 G CA 1.272 46.423 45.100 0.085 0.000 0.708 350 G HN 0.564 nan 8.290 nan 0.000 0.520 351 Q N -2.143 117.730 119.800 0.121 0.000 3.022 351 Q HA 0.835 5.175 4.340 0.001 0.000 0.313 351 Q C -1.057 175.007 176.000 0.107 0.000 1.018 351 Q CA -0.863 54.996 55.803 0.094 0.000 0.799 351 Q CB 2.793 31.558 28.738 0.046 0.000 1.498 351 Q HN 0.591 nan 8.270 nan 0.000 0.494 352 V N -0.154 119.753 119.914 -0.012 0.000 2.852 352 V HA 0.697 4.817 4.120 0.001 0.000 0.300 352 V C -1.749 174.270 176.094 -0.125 0.000 1.205 352 V CA -0.402 61.781 62.300 -0.194 0.000 0.940 352 V CB 1.847 33.370 31.823 -0.500 0.000 1.047 352 V HN 0.872 nan 8.190 nan 0.000 0.429 353 A N 6.106 128.864 122.820 -0.104 0.000 2.316 353 A HA 0.781 5.102 4.320 0.001 0.000 0.284 353 A C -0.394 177.169 177.584 -0.034 0.000 1.115 353 A CA -0.383 51.623 52.037 -0.051 0.000 0.812 353 A CB 0.449 19.430 19.000 -0.032 0.000 1.064 353 A HN 0.819 nan 8.150 nan 0.000 0.489 354 I N 2.979 123.536 120.570 -0.021 0.000 2.533 354 I HA 0.188 4.359 4.170 0.001 0.000 0.284 354 I C -1.910 174.212 176.117 0.009 0.000 1.109 354 I CA -1.325 59.976 61.300 0.000 0.000 1.412 354 I CB 0.487 38.481 38.000 -0.009 0.000 1.396 354 I HN 0.400 nan 8.210 nan 0.000 0.543 355 P HA -0.000 nan 4.420 nan 0.000 0.264 355 P C -0.780 176.511 177.300 -0.015 0.000 1.183 355 P CA -0.022 63.075 63.100 -0.004 0.000 0.763 355 P CB 0.365 32.065 31.700 -0.000 0.000 0.807 356 Q N 1.778 121.560 119.800 -0.030 0.000 2.214 356 Q HA 0.693 5.033 4.340 0.001 0.000 0.251 356 Q C 0.688 176.671 176.000 -0.027 0.000 0.936 356 Q CA -0.023 55.765 55.803 -0.026 0.000 0.894 356 Q CB 1.652 30.374 28.738 -0.027 0.000 1.252 356 Q HN 0.756 nan 8.270 nan 0.000 0.448 357 G N 1.490 110.278 108.800 -0.020 0.000 2.381 357 G HA2 -0.042 3.919 3.960 0.001 0.000 0.672 357 G HA3 -0.042 3.919 3.960 0.001 0.000 0.672 357 G C -2.985 171.910 174.900 -0.009 0.000 1.324 357 G CA -1.018 44.073 45.100 -0.016 0.000 0.975 357 G HN 0.459 nan 8.290 nan 0.000 0.593 358 P HA 0.485 nan 4.420 nan 0.000 0.274 358 P C 1.198 178.510 177.300 0.018 0.000 1.231 358 P CA 1.570 64.672 63.100 0.004 0.000 0.790 358 P CB 1.006 32.712 31.700 0.009 0.000 0.951 359 G N 1.533 110.348 108.800 0.025 0.000 2.564 359 G HA2 -0.317 3.643 3.960 0.001 0.000 0.273 359 G HA3 -0.317 3.643 3.960 0.001 0.000 0.273 359 G C 0.572 175.502 174.900 0.050 0.000 1.242 359 G CA 0.143 45.272 45.100 0.049 0.000 0.951 359 G HN 0.436 nan 8.290 nan 0.000 0.564 360 L N 2.452 123.717 121.223 0.069 0.000 2.450 360 L HA 0.242 4.582 4.340 0.001 0.000 0.224 360 L C 2.799 179.693 176.870 0.041 0.000 1.149 360 L CA 2.472 57.351 54.840 0.066 0.000 0.816 360 L CB -1.210 40.903 42.059 0.090 0.000 0.932 360 L HN 2.340 nan 8.230 nan 0.000 0.449 361 G N -1.301 107.512 108.800 0.022 0.000 2.136 361 G HA2 -0.212 3.748 3.960 0.001 0.000 0.242 361 G HA3 -0.212 3.748 3.960 0.001 0.000 0.242 361 G C 0.166 175.038 174.900 -0.048 0.000 0.989 361 G CA 0.274 45.369 45.100 -0.008 0.000 0.682 361 G HN 0.277 nan 8.290 nan 0.000 0.522 362 V N 0.532 120.421 119.914 -0.042 0.000 2.851 362 V HA 0.543 4.664 4.120 0.001 0.000 0.307 362 V C -1.516 174.546 176.094 -0.053 0.000 1.129 362 V CA -0.999 61.236 62.300 -0.108 0.000 0.932 362 V CB 2.010 33.725 31.823 -0.180 0.000 1.024 362 V HN 0.239 nan 8.190 nan 0.000 0.426 363 D N 4.400 124.761 120.400 -0.066 0.000 2.217 363 D HA 0.431 5.072 4.640 0.001 0.000 0.243 363 D C 0.001 176.265 176.300 -0.059 0.000 1.054 363 D CA -0.116 53.872 54.000 -0.020 0.000 0.838 363 D CB 2.396 43.195 40.800 -0.001 0.000 1.162 363 D HN 0.571 nan 8.370 nan 0.000 0.472 364 V N -0.049 119.821 119.914 -0.072 0.000 2.924 364 V HA 0.244 4.364 4.120 0.001 0.000 0.305 364 V C 0.277 176.348 176.094 -0.038 0.000 1.073 364 V CA -0.187 62.035 62.300 -0.129 0.000 1.098 364 V CB 1.592 33.185 31.823 -0.384 0.000 1.000 364 V HN 0.495 nan 8.190 nan 0.000 0.484 368 K N 1.480 121.937 120.400 0.095 0.000 2.103 368 K HA -0.035 4.286 4.320 0.001 0.000 0.207 368 K C 2.065 178.823 176.600 0.264 0.000 1.048 368 K CA 1.173 57.575 56.287 0.191 0.000 0.930 368 K CB 0.150 32.835 32.500 0.308 0.000 0.716 368 K HN -0.017 nan 8.250 nan 0.000 0.444 369 V N 1.908 121.941 119.914 0.199 0.000 2.295 369 V HA -0.282 3.838 4.120 0.001 0.000 0.246 369 V C 1.633 177.777 176.094 0.082 0.000 1.049 369 V CA 1.928 64.297 62.300 0.115 0.000 1.024 369 V CB -0.598 31.263 31.823 0.065 0.000 0.648 369 V HN 0.399 nan 8.190 nan 0.000 0.447 370 N N -0.677 118.074 118.700 0.084 0.000 2.223 370 N HA -0.183 4.558 4.740 0.001 0.000 0.185 370 N C 1.821 177.367 175.510 0.059 0.000 1.016 370 N CA 1.249 54.338 53.050 0.065 0.000 0.863 370 N CB -0.208 38.318 38.487 0.066 0.000 0.983 370 N HN 0.464 nan 8.380 nan 0.000 0.429 371 F N 0.898 120.769 119.950 -0.131 0.000 2.134 371 F HA -0.139 4.388 4.527 0.001 0.000 0.299 371 F C 1.165 176.782 175.800 -0.305 0.000 1.097 371 F CA 1.290 59.126 58.000 -0.272 0.000 1.264 371 F CB -0.244 38.480 39.000 -0.459 0.000 1.001 371 F HN 0.028 nan 8.300 nan 0.000 0.479 372 Y N 0.175 120.428 120.300 -0.078 0.000 2.466 372 Y HA 0.171 4.721 4.550 0.001 0.000 0.272 372 Y C 1.010 176.818 175.900 -0.153 0.000 1.169 372 Y CA -0.176 57.809 58.100 -0.192 0.000 1.285 372 Y CB -1.245 37.156 38.460 -0.098 0.000 1.078 372 Y HN -0.240 nan 8.280 nan 0.000 0.523 373 T N 1.962 116.510 114.554 -0.010 0.000 2.916 373 T HA 0.093 4.443 4.350 0.001 0.000 0.303 373 T C 0.675 175.360 174.700 -0.024 0.000 1.025 373 T CA -0.444 61.649 62.100 -0.011 0.000 1.142 373 T CB 0.866 69.733 68.868 -0.003 0.000 0.947 373 T HN 0.261 nan 8.240 nan 0.000 0.544 374 R N 0.000 120.496 120.500 -0.007 0.000 2.786 374 R HA 0.000 4.340 4.340 0.001 0.000 0.208 374 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 374 R CB 0.000 30.303 30.300 0.005 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535