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 1rq7_1_B DATA FIRST_RESID 6 DATA SEQUENCE NYLAVIKVVG IGGGGVNAVN RMIEQGLKGV EFIAINTDAQ ALLMSDADVK DATA SEQUENCE LDVGXXXXXX XXXXADPEVG RKAAEDAKDE IEELLRGADM VFVTAGEGGG DATA SEQUENCE TGTGGAPVVA SIARKLGALT VGVVTRPFSF EGKRRSNQAE NGIAALRESC DATA SEQUENCE DTLIVIPNDR LLQMGXXXVS LMDAFRSADE VLLNGVQGIT DLITTPGLIN DATA SEQUENCE VDFADVKGIM SGAGTALMGI GSARGEGRSL KAAEIAINSP LLEASMEGAQ DATA SEQUENCE GVLMSIAGGS DLGLFEINEA ASLVQDAAHP DANIIFGTVI DDSLGDEVRV DATA SEQUENCE TVIAAGFD 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.235 175.510 -0.458 0.000 1.280 6 N CA 0.000 52.908 53.050 -0.237 0.000 0.885 6 N CB 0.000 38.297 38.487 -0.316 0.000 1.341 7 Y N 0.286 120.559 120.300 -0.045 0.000 2.563 7 Y HA 0.467 5.017 4.550 -0.000 0.000 0.250 7 Y C -0.191 175.681 175.900 -0.047 0.000 1.126 7 Y CA -0.209 57.872 58.100 -0.033 0.000 1.231 7 Y CB 1.349 39.801 38.460 -0.014 0.000 1.288 7 Y HN -0.079 nan 8.280 nan 0.000 0.537 8 L N 1.006 122.243 121.223 0.022 0.000 2.415 8 L HA 0.760 5.100 4.340 -0.000 0.000 0.268 8 L C -0.007 176.790 176.870 -0.122 0.000 0.984 8 L CA -1.099 53.724 54.840 -0.029 0.000 0.853 8 L CB 0.812 42.865 42.059 -0.009 0.000 1.215 8 L HN 0.075 nan 8.230 nan 0.000 0.419 9 A N 4.205 126.899 122.820 -0.211 0.000 2.591 9 A HA 0.249 4.568 4.320 -0.000 0.000 0.244 9 A C -0.009 177.418 177.584 -0.262 0.000 1.031 9 A CA 0.226 52.028 52.037 -0.391 0.000 0.767 9 A CB -0.277 18.398 19.000 -0.542 0.000 0.942 9 A HN 0.513 nan 8.150 nan 0.000 0.514 10 V N 5.493 125.253 119.914 -0.257 0.000 2.368 10 V HA 0.240 4.359 4.120 -0.000 0.000 0.266 10 V C 0.215 176.213 176.094 -0.161 0.000 1.045 10 V CA 0.202 62.401 62.300 -0.167 0.000 0.899 10 V CB 0.182 31.929 31.823 -0.126 0.000 1.006 10 V HN 0.629 nan 8.190 nan 0.000 0.470 11 I N 5.568 126.067 120.570 -0.119 0.000 2.362 11 I HA 0.466 4.635 4.170 -0.000 0.000 0.289 11 I C 0.048 176.134 176.117 -0.052 0.000 0.994 11 I CA -0.535 60.734 61.300 -0.052 0.000 1.158 11 I CB 1.497 39.504 38.000 0.011 0.000 1.315 11 I HN 0.438 nan 8.210 nan 0.000 0.451 12 K N 5.560 125.962 120.400 0.003 0.000 2.307 12 K HA 0.565 4.885 4.320 -0.000 0.000 0.263 12 K C -1.149 175.502 176.600 0.085 0.000 0.973 12 K CA -0.641 55.644 56.287 -0.003 0.000 0.846 12 K CB 2.450 34.949 32.500 -0.002 0.000 1.100 12 K HN 0.304 nan 8.250 nan 0.000 0.438 13 V N 4.109 124.052 119.914 0.048 0.000 2.333 13 V HA 0.215 4.335 4.120 -0.000 0.000 0.274 13 V C -0.257 175.940 176.094 0.173 0.000 1.028 13 V CA -0.896 61.494 62.300 0.150 0.000 0.851 13 V CB 1.345 33.237 31.823 0.114 0.000 1.000 13 V HN 0.430 nan 8.190 nan 0.000 0.456 14 V N 4.511 124.522 119.914 0.162 0.000 2.328 14 V HA 0.614 4.733 4.120 -0.000 0.000 0.278 14 V C 0.848 177.010 176.094 0.114 0.000 1.021 14 V CA -0.317 62.056 62.300 0.123 0.000 0.838 14 V CB 1.482 33.358 31.823 0.088 0.000 0.999 14 V HN 0.912 nan 8.190 nan 0.000 0.447 15 G N 4.705 113.565 108.800 0.100 0.000 2.322 15 G HA2 0.663 4.623 3.960 -0.000 0.000 0.309 15 G HA3 0.663 4.623 3.960 -0.000 0.000 0.309 15 G C -0.925 174.004 174.900 0.048 0.000 1.121 15 G CA -0.344 44.796 45.100 0.068 0.000 0.886 15 G HN 0.690 nan 8.290 nan 0.000 0.447 16 I N 2.038 122.632 120.570 0.040 0.000 2.569 16 I HA 0.728 4.898 4.170 -0.000 0.000 0.296 16 I C 0.471 176.600 176.117 0.020 0.000 1.028 16 I CA 0.276 61.594 61.300 0.029 0.000 1.082 16 I CB 1.664 39.682 38.000 0.030 0.000 1.264 16 I HN 1.137 nan 8.210 nan 0.000 0.429 17 G N 3.978 112.786 108.800 0.014 0.000 2.781 17 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.683 17 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.683 17 G C 0.535 175.438 174.900 0.005 0.000 1.390 17 G CA -0.248 44.858 45.100 0.009 0.000 0.850 17 G HN 1.259 nan 8.290 nan 0.000 0.557 18 G N -0.189 108.611 108.800 0.000 0.000 2.476 18 G HA2 0.125 4.084 3.960 -0.000 0.000 0.218 18 G HA3 0.125 4.084 3.960 -0.000 0.000 0.218 18 G C 1.964 176.860 174.900 -0.007 0.000 1.164 18 G CA 2.191 47.288 45.100 -0.005 0.000 0.768 18 G HN 1.988 nan 8.290 nan 0.000 0.560 19 G N 0.398 109.196 108.800 -0.003 0.000 2.421 19 G HA2 0.154 4.114 3.960 -0.000 0.000 0.217 19 G HA3 0.154 4.114 3.960 -0.000 0.000 0.217 19 G C 1.694 176.595 174.900 0.003 0.000 1.143 19 G CA 1.299 46.398 45.100 -0.002 0.000 0.784 19 G HN 0.620 nan 8.290 nan 0.000 0.541 20 G N 0.492 109.298 108.800 0.009 0.000 2.394 20 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.215 20 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.215 20 G C 1.729 176.634 174.900 0.009 0.000 1.165 20 G CA 1.128 46.238 45.100 0.017 0.000 0.784 20 G HN 0.282 nan 8.290 nan 0.000 0.535 21 V N 1.450 121.365 119.914 0.001 0.000 2.427 21 V HA -0.169 3.950 4.120 -0.000 0.000 0.248 21 V C 2.588 178.663 176.094 -0.032 0.000 1.051 21 V CA 1.923 64.216 62.300 -0.011 0.000 1.048 21 V CB -0.526 31.292 31.823 -0.009 0.000 0.666 21 V HN 0.416 nan 8.190 nan 0.000 0.456 22 N N 0.843 119.526 118.700 -0.027 0.000 2.166 22 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 22 N C 1.736 177.219 175.510 -0.045 0.000 1.019 22 N CA 1.726 54.754 53.050 -0.036 0.000 0.856 22 N CB -0.295 38.175 38.487 -0.027 0.000 0.993 22 N HN 0.420 nan 8.380 nan 0.000 0.426 23 A N -0.155 122.647 122.820 -0.031 0.000 1.898 23 A HA -0.044 4.275 4.320 -0.000 0.000 0.216 23 A C 2.432 179.976 177.584 -0.067 0.000 1.181 23 A CA 1.469 53.487 52.037 -0.032 0.000 0.620 23 A CB -0.820 18.176 19.000 -0.006 0.000 0.819 23 A HN 0.168 nan 8.150 nan 0.000 0.442 24 V N 1.026 120.896 119.914 -0.073 0.000 2.407 24 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 24 V C 2.204 178.115 176.094 -0.305 0.000 1.055 24 V CA 2.073 64.278 62.300 -0.157 0.000 1.049 24 V CB -0.899 30.884 31.823 -0.067 0.000 0.662 24 V HN 0.551 nan 8.190 nan 0.000 0.455 25 N N 0.015 118.598 118.700 -0.195 0.000 2.244 25 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 25 N C 1.939 177.339 175.510 -0.184 0.000 1.016 25 N CA 1.118 54.051 53.050 -0.194 0.000 0.866 25 N CB -0.406 38.012 38.487 -0.115 0.000 0.980 25 N HN 0.444 nan 8.380 nan 0.000 0.430 26 R N 0.630 121.046 120.500 -0.140 0.000 2.073 26 R HA 0.012 4.351 4.340 -0.000 0.000 0.234 26 R C 2.154 178.372 176.300 -0.137 0.000 1.134 26 R CA 1.163 57.199 56.100 -0.107 0.000 0.952 26 R CB -0.086 30.175 30.300 -0.065 0.000 0.850 26 R HN 0.156 nan 8.270 nan 0.000 0.433 27 M N 0.076 119.562 119.600 -0.190 0.000 2.080 27 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 27 M C 2.239 178.362 176.300 -0.296 0.000 1.068 27 M CA 1.753 56.935 55.300 -0.196 0.000 1.109 27 M CB -0.311 32.188 32.600 -0.168 0.000 1.342 27 M HN 0.187 nan 8.290 nan 0.000 0.405 28 I N -0.103 120.133 120.570 -0.557 0.000 2.179 28 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 28 I C 2.503 178.523 176.117 -0.162 0.000 1.088 28 I CA 1.484 62.540 61.300 -0.406 0.000 1.357 28 I CB -0.457 37.281 38.000 -0.436 0.000 1.051 28 I HN 0.284 nan 8.210 nan 0.000 0.409 29 E N 0.967 121.081 120.200 -0.143 0.000 2.097 29 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 29 E C 2.058 178.628 176.600 -0.049 0.000 1.000 29 E CA 1.519 57.871 56.400 -0.079 0.000 0.804 29 E CB -0.110 29.547 29.700 -0.072 0.000 0.740 29 E HN 0.409 nan 8.360 nan 0.000 0.454 30 Q N -0.848 118.922 119.800 -0.049 0.000 2.472 30 Q HA 0.092 4.432 4.340 -0.000 0.000 0.208 30 Q C 1.119 177.119 176.000 -0.001 0.000 0.958 30 Q CA 0.898 56.689 55.803 -0.020 0.000 0.932 30 Q CB 0.465 29.194 28.738 -0.015 0.000 1.007 30 Q HN 0.475 nan 8.270 nan 0.000 0.508 31 G N 1.720 110.523 108.800 0.005 0.000 2.137 31 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.237 31 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.237 31 G C -0.124 174.820 174.900 0.074 0.000 1.002 31 G CA 0.140 45.263 45.100 0.038 0.000 0.702 31 G HN 0.338 nan 8.290 nan 0.000 0.515 32 L N 1.476 122.766 121.223 0.113 0.000 2.660 32 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 32 L C 0.790 177.763 176.870 0.171 0.000 1.194 32 L CA 0.556 55.492 54.840 0.160 0.000 0.945 32 L CB 0.113 42.325 42.059 0.256 0.000 1.212 32 L HN 0.132 nan 8.230 nan 0.000 0.490 33 K N 3.293 123.732 120.400 0.065 0.000 2.090 33 K HA 0.693 5.013 4.320 -0.000 0.000 0.249 33 K C 0.999 177.574 176.600 -0.043 0.000 0.995 33 K CA -0.154 56.146 56.287 0.022 0.000 0.914 33 K CB 1.141 33.650 32.500 0.014 0.000 1.057 33 K HN 1.105 nan 8.250 nan 0.000 0.462 34 G N -1.093 107.669 108.800 -0.062 0.000 2.162 34 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 34 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 34 G C 0.039 174.850 174.900 -0.147 0.000 0.976 34 G CA 0.394 45.443 45.100 -0.085 0.000 0.655 34 G HN 1.243 nan 8.290 nan 0.000 0.533 35 V N -3.265 116.492 119.914 -0.262 0.000 3.040 35 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 35 V C -0.203 175.588 176.094 -0.505 0.000 1.115 35 V CA -0.990 61.083 62.300 -0.379 0.000 0.998 35 V CB 2.180 33.715 31.823 -0.479 0.000 1.042 35 V HN 0.394 nan 8.190 nan 0.000 0.433 36 E N 1.674 121.646 120.200 -0.380 0.000 2.156 36 E HA 0.480 4.830 4.350 -0.000 0.000 0.279 36 E C -1.630 174.774 176.600 -0.327 0.000 0.965 36 E CA -0.669 55.552 56.400 -0.298 0.000 0.789 36 E CB 1.194 30.818 29.700 -0.126 0.000 1.098 36 E HN 0.659 nan 8.360 nan 0.000 0.397 37 F N 4.721 124.674 119.950 0.005 0.000 2.404 37 F HA 0.423 4.950 4.527 -0.000 0.000 0.345 37 F C 0.254 176.059 175.800 0.009 0.000 1.110 37 F CA -0.646 57.357 58.000 0.005 0.000 1.130 37 F CB 0.957 39.955 39.000 -0.003 0.000 1.129 37 F HN 0.300 nan 8.300 nan 0.000 0.500 38 I N 3.057 123.756 120.570 0.216 0.000 2.499 38 I HA 0.521 4.691 4.170 -0.000 0.000 0.288 38 I C -0.706 175.473 176.117 0.103 0.000 1.048 38 I CA -0.784 60.589 61.300 0.123 0.000 1.062 38 I CB 1.943 39.991 38.000 0.081 0.000 1.238 38 I HN 0.629 nan 8.210 nan 0.000 0.426 39 A N 8.015 130.878 122.820 0.071 0.000 2.287 39 A HA 0.812 5.132 4.320 -0.000 0.000 0.317 39 A C -0.603 177.001 177.584 0.034 0.000 1.220 39 A CA -0.402 51.662 52.037 0.045 0.000 0.835 39 A CB 0.454 19.470 19.000 0.027 0.000 1.180 39 A HN 0.669 nan 8.150 nan 0.000 0.500 40 I N 2.759 123.348 120.570 0.031 0.000 2.382 40 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 40 I C -0.232 175.895 176.117 0.017 0.000 1.007 40 I CA -0.618 60.697 61.300 0.024 0.000 1.142 40 I CB 1.598 39.614 38.000 0.026 0.000 1.289 40 I HN 0.699 nan 8.210 nan 0.000 0.453 41 N N 3.389 122.096 118.700 0.012 0.000 2.488 41 N HA 0.237 4.976 4.740 -0.000 0.000 0.274 41 N C 0.825 176.340 175.510 0.008 0.000 1.111 41 N CA 0.012 53.067 53.050 0.008 0.000 0.974 41 N CB 1.016 39.506 38.487 0.005 0.000 1.089 41 N HN 0.658 nan 8.380 nan 0.000 0.465 42 T N -2.016 112.542 114.554 0.007 0.000 3.003 42 T HA 0.225 4.574 4.350 -0.000 0.000 0.261 42 T C -0.281 174.422 174.700 0.004 0.000 1.003 42 T CA -0.313 61.791 62.100 0.006 0.000 0.917 42 T CB 0.138 69.011 68.868 0.008 0.000 1.084 42 T HN 0.294 nan 8.240 nan 0.000 0.522 43 D N 1.547 121.949 120.400 0.003 0.000 2.210 43 D HA 0.564 5.204 4.640 -0.000 0.000 0.249 43 D C 1.119 177.420 176.300 0.001 0.000 1.078 43 D CA -0.139 53.862 54.000 0.002 0.000 0.875 43 D CB 1.988 42.788 40.800 0.000 0.000 1.175 43 D HN 0.221 nan 8.370 nan 0.000 0.440 44 A N 2.525 125.346 122.820 0.001 0.000 1.872 44 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 44 A C 1.792 179.376 177.584 0.000 0.000 1.187 44 A CA 1.078 53.116 52.037 0.001 0.000 0.614 44 A CB -0.109 18.892 19.000 0.001 0.000 0.826 44 A HN 0.406 nan 8.150 nan 0.000 0.442 45 Q N -0.722 119.078 119.800 -0.000 0.000 2.311 45 Q HA 0.268 4.608 4.340 -0.000 0.000 0.203 45 Q C 0.455 176.453 176.000 -0.002 0.000 0.954 45 Q CA 0.998 56.800 55.803 -0.001 0.000 0.885 45 Q CB -0.112 28.626 28.738 -0.001 0.000 0.963 45 Q HN 0.601 nan 8.270 nan 0.000 0.471 46 A N 0.509 123.328 122.820 -0.002 0.000 2.475 46 A HA 0.638 4.958 4.320 -0.000 0.000 0.301 46 A C -1.619 175.963 177.584 -0.003 0.000 1.059 46 A CA -0.660 51.375 52.037 -0.004 0.000 0.710 46 A CB 1.423 20.420 19.000 -0.005 0.000 1.288 46 A HN 0.137 nan 8.150 nan 0.000 0.408 47 L N 2.141 123.361 121.223 -0.004 0.000 2.376 47 L HA 0.721 5.061 4.340 -0.000 0.000 0.275 47 L C -1.406 175.460 176.870 -0.007 0.000 0.987 47 L CA -0.611 54.227 54.840 -0.004 0.000 0.828 47 L CB 1.595 43.653 42.059 -0.003 0.000 1.249 47 L HN 0.689 nan 8.230 nan 0.000 0.409 48 L N 5.694 126.912 121.223 -0.008 0.000 2.281 48 L HA 0.484 4.823 4.340 -0.000 0.000 0.285 48 L C -0.113 176.749 176.870 -0.012 0.000 1.074 48 L CA 0.284 55.117 54.840 -0.012 0.000 0.817 48 L CB 0.747 42.797 42.059 -0.014 0.000 1.168 48 L HN 0.734 nan 8.230 nan 0.000 0.434 49 M N 3.328 122.920 119.600 -0.014 0.000 2.202 49 M HA 0.339 4.819 4.480 -0.000 0.000 0.316 49 M C 0.247 176.535 176.300 -0.020 0.000 1.138 49 M CA 0.110 55.402 55.300 -0.014 0.000 1.151 49 M CB 1.294 33.887 32.600 -0.013 0.000 1.422 49 M HN 0.754 nan 8.290 nan 0.000 0.471 50 S N -0.605 115.083 115.700 -0.019 0.000 2.537 50 S HA 0.277 4.747 4.470 -0.000 0.000 0.270 50 S C -0.992 173.593 174.600 -0.025 0.000 1.142 50 S CA -0.832 57.350 58.200 -0.030 0.000 0.870 50 S CB 1.296 64.481 63.200 -0.025 0.000 1.112 50 S HN 0.704 nan 8.310 nan 0.000 0.466 51 D N 2.257 122.632 120.400 -0.042 0.000 2.395 51 D HA 0.312 4.952 4.640 -0.000 0.000 0.226 51 D C 0.777 177.070 176.300 -0.011 0.000 1.146 51 D CA 0.138 54.122 54.000 -0.027 0.000 0.830 51 D CB 0.388 41.165 40.800 -0.038 0.000 0.958 51 D HN 0.659 nan 8.370 nan 0.000 0.501 52 A N 0.790 123.608 122.820 -0.004 0.000 2.507 52 A HA -0.020 4.300 4.320 -0.000 0.000 0.235 52 A C 1.291 178.925 177.584 0.084 0.000 1.070 52 A CA -0.049 52.025 52.037 0.061 0.000 0.768 52 A CB 0.578 19.621 19.000 0.073 0.000 1.011 52 A HN 0.007 nan 8.150 nan 0.000 0.502 53 D N -0.019 120.460 120.400 0.132 0.000 2.092 53 D HA -0.087 4.552 4.640 -0.000 0.000 0.193 53 D C 0.439 176.775 176.300 0.060 0.000 0.994 53 D CA 1.762 55.816 54.000 0.089 0.000 0.828 53 D CB -0.216 40.637 40.800 0.089 0.000 0.963 53 D HN 0.265 nan 8.370 nan 0.000 0.450 54 V N 0.604 120.557 119.914 0.066 0.000 2.604 54 V HA 0.353 4.473 4.120 -0.000 0.000 0.305 54 V C -0.241 175.881 176.094 0.046 0.000 1.043 54 V CA -0.774 61.554 62.300 0.046 0.000 0.888 54 V CB 2.395 34.241 31.823 0.038 0.000 0.995 54 V HN -0.090 nan 8.190 nan 0.000 0.429 55 K N 3.935 124.355 120.400 0.032 0.000 2.427 55 K HA 0.791 5.111 4.320 -0.000 0.000 0.252 55 K C -1.674 174.939 176.600 0.021 0.000 0.931 55 K CA -0.772 55.531 56.287 0.027 0.000 0.793 55 K CB 2.748 35.260 32.500 0.020 0.000 1.211 55 K HN 0.471 nan 8.250 nan 0.000 0.426 56 L N 2.053 123.288 121.223 0.020 0.000 2.476 56 L HA 0.371 4.711 4.340 -0.000 0.000 0.269 56 L C -1.704 175.174 176.870 0.013 0.000 0.965 56 L CA -0.318 54.531 54.840 0.016 0.000 0.845 56 L CB 1.745 43.815 42.059 0.017 0.000 1.259 56 L HN 0.543 nan 8.230 nan 0.000 0.403 57 D N 3.595 124.001 120.400 0.010 0.000 2.443 57 D HA 0.261 4.901 4.640 -0.000 0.000 0.221 57 D C 0.674 176.979 176.300 0.007 0.000 1.097 57 D CA -0.066 53.938 54.000 0.008 0.000 0.865 57 D CB 1.516 42.319 40.800 0.006 0.000 1.034 57 D HN 0.408 nan 8.370 nan 0.000 0.511 58 V N 2.020 121.938 119.914 0.008 0.000 3.621 58 V HA 0.483 4.603 4.120 -0.000 0.000 0.285 58 V C 1.073 177.170 176.094 0.005 0.000 1.346 58 V CA 0.345 62.649 62.300 0.007 0.000 1.104 58 V CB -0.078 31.749 31.823 0.008 0.000 0.913 58 V HN 0.352 nan 8.190 nan 0.000 0.432 71 D N 0.694 121.096 120.400 0.003 0.000 2.233 71 D HA 0.391 5.031 4.640 -0.000 0.000 0.240 71 D C -1.742 174.559 176.300 0.003 0.000 1.074 71 D CA -1.520 52.482 54.000 0.003 0.000 0.838 71 D CB 2.175 42.977 40.800 0.003 0.000 1.124 71 D HN -0.014 nan 8.370 nan 0.000 0.475 72 P HA -0.175 nan 4.420 nan 0.000 0.215 72 P C 1.235 178.536 177.300 0.003 0.000 1.157 72 P CA 0.849 63.951 63.100 0.003 0.000 0.874 72 P CB 0.321 32.022 31.700 0.002 0.000 0.790 73 E N -0.641 119.560 120.200 0.002 0.000 2.097 73 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 73 E C 1.995 178.597 176.600 0.002 0.000 1.000 73 E CA 1.483 57.884 56.400 0.002 0.000 0.804 73 E CB -1.374 28.327 29.700 0.002 0.000 0.740 73 E HN 0.031 nan 8.360 nan 0.000 0.454 74 V N 0.235 120.151 119.914 0.003 0.000 2.295 74 V HA -0.114 4.005 4.120 -0.000 0.000 0.246 74 V C 2.734 178.830 176.094 0.003 0.000 1.049 74 V CA 1.947 64.249 62.300 0.003 0.000 1.024 74 V CB -1.316 30.509 31.823 0.003 0.000 0.648 74 V HN 0.576 nan 8.190 nan 0.000 0.447 75 G N -0.507 108.295 108.800 0.004 0.000 2.440 75 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 75 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 75 G C 1.728 176.631 174.900 0.005 0.000 1.154 75 G CA 0.944 46.047 45.100 0.005 0.000 0.767 75 G HN 0.374 nan 8.290 nan 0.000 0.552 76 R N 0.519 121.022 120.500 0.004 0.000 2.097 76 R HA -0.103 4.237 4.340 -0.000 0.000 0.236 76 R C 2.657 178.959 176.300 0.004 0.000 1.135 76 R CA 1.865 57.967 56.100 0.004 0.000 0.934 76 R CB -0.317 29.985 30.300 0.003 0.000 0.846 76 R HN 0.290 nan 8.270 nan 0.000 0.431 77 K N -0.437 119.965 120.400 0.003 0.000 2.063 77 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 77 K C 2.043 178.645 176.600 0.003 0.000 1.048 77 K CA 1.546 57.835 56.287 0.003 0.000 0.928 77 K CB -0.151 32.350 32.500 0.002 0.000 0.713 77 K HN 0.237 nan 8.250 nan 0.000 0.442 78 A N 1.295 124.118 122.820 0.004 0.000 1.968 78 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 78 A C 2.333 179.920 177.584 0.006 0.000 1.169 78 A CA 1.471 53.510 52.037 0.005 0.000 0.638 78 A CB -0.452 18.551 19.000 0.005 0.000 0.812 78 A HN 0.316 nan 8.150 nan 0.000 0.446 79 A N -0.157 122.667 122.820 0.006 0.000 1.855 79 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 79 A C 1.938 179.525 177.584 0.006 0.000 1.191 79 A CA 1.632 53.673 52.037 0.007 0.000 0.613 79 A CB -0.478 18.527 19.000 0.008 0.000 0.829 79 A HN 0.408 nan 8.150 nan 0.000 0.442 80 E N 0.577 120.780 120.200 0.004 0.000 2.070 80 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 80 E C 1.543 178.145 176.600 0.003 0.000 1.004 80 E CA 1.562 57.964 56.400 0.003 0.000 0.805 80 E CB -0.528 29.174 29.700 0.003 0.000 0.744 80 E HN 0.569 nan 8.360 nan 0.000 0.451 81 D N 0.096 120.498 120.400 0.003 0.000 2.218 81 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 81 D C 1.139 177.441 176.300 0.004 0.000 0.976 81 D CA 1.258 55.260 54.000 0.003 0.000 0.853 81 D CB -0.057 40.745 40.800 0.003 0.000 0.939 81 D HN 0.157 nan 8.370 nan 0.000 0.481 82 A N 0.607 123.430 122.820 0.005 0.000 2.507 82 A HA 0.058 4.378 4.320 -0.000 0.000 0.270 82 A C 1.747 179.334 177.584 0.005 0.000 1.318 82 A CA -0.255 51.785 52.037 0.005 0.000 0.924 82 A CB -0.232 18.772 19.000 0.007 0.000 1.061 82 A HN 0.197 nan 8.150 nan 0.000 0.516 83 K N 0.020 120.423 120.400 0.004 0.000 2.063 83 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 83 K C 0.537 177.140 176.600 0.004 0.000 1.048 83 K CA 1.773 58.062 56.287 0.004 0.000 0.928 83 K CB -0.347 32.154 32.500 0.003 0.000 0.713 83 K HN 0.200 nan 8.250 nan 0.000 0.442 84 D N 1.398 121.799 120.400 0.003 0.000 2.097 84 D HA -0.142 4.497 4.640 -0.000 0.000 0.195 84 D C 1.880 178.182 176.300 0.004 0.000 0.989 84 D CA 1.442 55.444 54.000 0.003 0.000 0.827 84 D CB -0.236 40.565 40.800 0.002 0.000 0.966 84 D HN 0.331 nan 8.370 nan 0.000 0.456 85 E N 0.353 120.556 120.200 0.005 0.000 2.077 85 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 85 E C 2.300 178.904 176.600 0.007 0.000 0.989 85 E CA 0.422 56.826 56.400 0.006 0.000 0.800 85 E CB -0.249 29.455 29.700 0.007 0.000 0.746 85 E HN 0.358 nan 8.360 nan 0.000 0.452 86 I N 0.639 121.214 120.570 0.008 0.000 2.179 86 I HA -0.276 3.893 4.170 -0.000 0.000 0.242 86 I C 2.538 178.659 176.117 0.007 0.000 1.088 86 I CA 1.388 62.694 61.300 0.010 0.000 1.357 86 I CB -0.310 37.696 38.000 0.010 0.000 1.051 86 I HN 0.167 nan 8.210 nan 0.000 0.409 87 E N 1.060 121.263 120.200 0.004 0.000 2.085 87 E HA -0.267 4.082 4.350 -0.000 0.000 0.194 87 E C 1.987 178.587 176.600 0.001 0.000 0.994 87 E CA 1.375 57.777 56.400 0.002 0.000 0.801 87 E CB 0.115 29.816 29.700 0.001 0.000 0.743 87 E HN 0.344 nan 8.360 nan 0.000 0.453 88 E N 0.377 120.578 120.200 0.002 0.000 2.204 88 E HA -0.117 4.232 4.350 -0.000 0.000 0.194 88 E C 2.161 178.762 176.600 0.001 0.000 0.989 88 E CA 0.527 56.927 56.400 0.001 0.000 0.824 88 E CB -0.107 29.595 29.700 0.002 0.000 0.756 88 E HN 0.425 nan 8.360 nan 0.000 0.477 89 L N -0.148 121.078 121.223 0.004 0.000 2.217 89 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 89 L C 2.050 178.922 176.870 0.003 0.000 1.107 89 L CA 0.632 55.476 54.840 0.006 0.000 0.783 89 L CB -0.106 41.960 42.059 0.013 0.000 0.919 89 L HN 0.098 nan 8.230 nan 0.000 0.442 90 L N -1.009 120.215 121.223 0.002 0.000 2.590 90 L HA 0.096 4.436 4.340 -0.000 0.000 0.227 90 L C 1.284 178.148 176.870 -0.009 0.000 1.099 90 L CA -0.249 54.589 54.840 -0.002 0.000 0.872 90 L CB -0.099 41.960 42.059 0.001 0.000 1.088 90 L HN 0.145 nan 8.230 nan 0.000 0.479 91 R N 1.188 121.683 120.500 -0.008 0.000 2.538 91 R HA 0.182 4.522 4.340 -0.000 0.000 0.282 91 R C 1.061 177.351 176.300 -0.017 0.000 1.009 91 R CA 1.171 57.264 56.100 -0.011 0.000 1.063 91 R CB 0.244 30.539 30.300 -0.008 0.000 0.945 91 R HN 0.249 nan 8.270 nan 0.000 0.414 92 G N 1.763 110.550 108.800 -0.021 0.000 2.176 92 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.253 92 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.253 92 G C 0.051 174.924 174.900 -0.046 0.000 0.979 92 G CA 0.047 45.129 45.100 -0.030 0.000 0.641 92 G HN 0.962 nan 8.290 nan 0.000 0.530 93 A N 0.023 122.817 122.820 -0.044 0.000 2.354 93 A HA 0.627 4.947 4.320 -0.000 0.000 0.269 93 A C 1.056 178.597 177.584 -0.071 0.000 1.109 93 A CA 0.518 52.518 52.037 -0.061 0.000 0.800 93 A CB 0.472 19.446 19.000 -0.042 0.000 1.045 93 A HN 0.178 nan 8.150 nan 0.000 0.489 94 D N 0.917 121.240 120.400 -0.129 0.000 2.216 94 D HA 0.041 4.681 4.640 -0.000 0.000 0.208 94 D C 0.236 176.520 176.300 -0.027 0.000 0.960 94 D CA 1.236 55.150 54.000 -0.142 0.000 0.861 94 D CB 0.224 40.755 40.800 -0.448 0.000 0.985 94 D HN 0.583 nan 8.370 nan 0.000 0.493 95 M N 1.309 120.866 119.600 -0.072 0.000 2.263 95 M HA 0.296 4.776 4.480 -0.000 0.000 0.295 95 M C -1.975 174.300 176.300 -0.041 0.000 1.028 95 M CA -0.453 54.840 55.300 -0.011 0.000 0.921 95 M CB 2.836 35.467 32.600 0.053 0.000 1.601 95 M HN -0.394 nan 8.290 nan 0.000 0.440 96 V N 5.271 125.132 119.914 -0.088 0.000 2.448 96 V HA 0.532 4.651 4.120 -0.000 0.000 0.295 96 V C -0.979 175.040 176.094 -0.125 0.000 1.025 96 V CA -0.455 61.820 62.300 -0.042 0.000 0.859 96 V CB 1.862 33.671 31.823 -0.022 0.000 0.988 96 V HN 0.708 nan 8.190 nan 0.000 0.431 97 F N 3.451 123.409 119.950 0.014 0.000 2.425 97 F HA 0.729 5.256 4.527 -0.000 0.000 0.331 97 F C 0.106 175.922 175.800 0.027 0.000 1.085 97 F CA -0.563 57.451 58.000 0.024 0.000 1.028 97 F CB 1.983 41.002 39.000 0.031 0.000 1.177 97 F HN 0.157 nan 8.300 nan 0.000 0.487 98 V N 1.643 121.680 119.914 0.205 0.000 2.623 98 V HA 0.590 4.710 4.120 -0.000 0.000 0.304 98 V C -0.517 175.650 176.094 0.123 0.000 1.054 98 V CA -0.581 61.797 62.300 0.129 0.000 0.882 98 V CB 1.868 33.731 31.823 0.066 0.000 1.002 98 V HN 0.807 nan 8.190 nan 0.000 0.424 99 T N 2.614 117.229 114.554 0.102 0.000 2.933 99 T HA 0.665 5.014 4.350 -0.000 0.000 0.305 99 T C 0.478 175.209 174.700 0.052 0.000 1.092 99 T CA 0.488 62.633 62.100 0.076 0.000 1.008 99 T CB 1.997 70.913 68.868 0.079 0.000 1.102 99 T HN 0.868 nan 8.240 nan 0.000 0.469 100 A N 2.378 125.220 122.820 0.037 0.000 2.267 100 A HA 0.666 4.986 4.320 -0.000 0.000 0.213 100 A C 1.502 179.098 177.584 0.019 0.000 1.192 100 A CA 1.005 53.057 52.037 0.025 0.000 0.851 100 A CB -1.096 17.915 19.000 0.018 0.000 0.881 100 A HN 1.943 nan 8.150 nan 0.000 0.494 101 G N 0.029 108.842 108.800 0.022 0.000 2.552 101 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.265 101 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.265 101 G C -0.350 174.558 174.900 0.014 0.000 1.234 101 G CA 0.064 45.174 45.100 0.017 0.000 0.944 101 G HN 0.458 nan 8.290 nan 0.000 0.568 102 E N 1.245 121.456 120.200 0.017 0.000 2.314 102 E HA 0.532 4.882 4.350 -0.000 0.000 0.262 102 E C 0.869 177.479 176.600 0.017 0.000 1.093 102 E CA 0.449 56.864 56.400 0.025 0.000 0.908 102 E CB 0.678 30.407 29.700 0.049 0.000 1.091 102 E HN 2.318 nan 8.360 nan 0.000 0.425 103 G N -0.078 108.736 108.800 0.023 0.000 2.856 103 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.674 103 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.674 103 G C 0.351 175.256 174.900 0.009 0.000 1.519 103 G CA -0.421 44.688 45.100 0.015 0.000 0.940 103 G HN 0.683 nan 8.290 nan 0.000 0.564 104 G N -0.647 108.158 108.800 0.009 0.000 2.829 104 G HA2 1.003 4.962 3.960 -0.000 0.000 0.173 104 G HA3 1.003 4.962 3.960 -0.000 0.000 0.173 104 G C 1.143 176.046 174.900 0.005 0.000 1.476 104 G CA 1.062 46.166 45.100 0.006 0.000 1.072 104 G HN 2.768 nan 8.290 nan 0.000 0.577 105 G N -2.200 106.603 108.800 0.004 0.000 2.428 105 G HA2 0.142 4.101 3.960 -0.000 0.000 0.202 105 G HA3 0.142 4.101 3.960 -0.000 0.000 0.202 105 G C 1.028 175.931 174.900 0.004 0.000 1.247 105 G CA 0.864 45.966 45.100 0.004 0.000 1.020 105 G HN 1.562 nan 8.290 nan 0.000 0.529 106 T N -1.204 113.353 114.554 0.004 0.000 2.995 106 T HA 0.214 4.564 4.350 -0.000 0.000 0.269 106 T C 2.499 177.203 174.700 0.006 0.000 1.091 106 T CA 1.939 64.042 62.100 0.005 0.000 1.128 106 T CB -0.372 68.499 68.868 0.004 0.000 0.891 106 T HN 1.831 nan 8.240 nan 0.000 0.492 107 G N 2.073 110.877 108.800 0.007 0.000 2.432 107 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.219 107 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.219 107 G C 1.843 176.749 174.900 0.011 0.000 1.135 107 G CA 1.485 46.592 45.100 0.011 0.000 0.767 107 G HN 0.668 nan 8.290 nan 0.000 0.550 108 T N -1.431 113.128 114.554 0.008 0.000 2.881 108 T HA 0.080 4.430 4.350 -0.000 0.000 0.270 108 T C 2.331 177.034 174.700 0.006 0.000 1.068 108 T CA 1.709 63.813 62.100 0.007 0.000 1.131 108 T CB -0.289 68.581 68.868 0.004 0.000 0.871 108 T HN 0.200 nan 8.240 nan 0.000 0.479 109 G N 0.636 109.439 108.800 0.006 0.000 2.426 109 G HA2 0.264 4.224 3.960 -0.000 0.000 0.214 109 G HA3 0.264 4.224 3.960 -0.000 0.000 0.214 109 G C 1.664 176.568 174.900 0.007 0.000 1.156 109 G CA 0.381 45.484 45.100 0.005 0.000 0.802 109 G HN 0.612 nan 8.290 nan 0.000 0.534 110 G N 0.935 109.740 108.800 0.009 0.000 2.464 110 G HA2 0.180 4.139 3.960 -0.000 0.000 0.217 110 G HA3 0.180 4.139 3.960 -0.000 0.000 0.217 110 G C 1.967 176.875 174.900 0.013 0.000 1.138 110 G CA 1.335 46.441 45.100 0.010 0.000 0.793 110 G HN 0.550 nan 8.290 nan 0.000 0.539 111 A N 1.948 124.777 122.820 0.015 0.000 1.865 111 A HA 0.001 4.320 4.320 -0.000 0.000 0.217 111 A C 0.727 178.320 177.584 0.014 0.000 1.191 111 A CA 2.001 54.050 52.037 0.019 0.000 0.623 111 A CB -1.277 17.736 19.000 0.022 0.000 0.826 111 A HN 0.359 nan 8.150 nan 0.000 0.444 112 P HA -0.114 nan 4.420 nan 0.000 0.217 112 P C 1.566 178.868 177.300 0.004 0.000 1.148 112 P CA 1.407 64.510 63.100 0.005 0.000 0.828 112 P CB -0.151 31.551 31.700 0.003 0.000 0.783 113 V N -0.509 119.409 119.914 0.006 0.000 2.270 113 V HA -0.195 3.924 4.120 -0.000 0.000 0.245 113 V C 2.469 178.566 176.094 0.006 0.000 1.043 113 V CA 1.810 64.114 62.300 0.005 0.000 1.014 113 V CB -1.365 30.462 31.823 0.006 0.000 0.645 113 V HN -0.045 nan 8.190 nan 0.000 0.447 114 V N 0.607 120.528 119.914 0.011 0.000 2.392 114 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 114 V C 2.720 178.819 176.094 0.008 0.000 1.059 114 V CA 2.050 64.358 62.300 0.013 0.000 1.051 114 V CB -1.327 30.509 31.823 0.022 0.000 0.658 114 V HN 0.555 nan 8.190 nan 0.000 0.455 115 A N 0.772 123.596 122.820 0.006 0.000 1.902 115 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 115 A C 2.588 180.168 177.584 -0.007 0.000 1.181 115 A CA 2.316 54.352 52.037 -0.002 0.000 0.623 115 A CB -0.776 18.223 19.000 -0.002 0.000 0.818 115 A HN 0.685 nan 8.150 nan 0.000 0.443 116 S N 0.055 115.752 115.700 -0.004 0.000 2.368 116 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 116 S C 1.918 176.515 174.600 -0.005 0.000 1.029 116 S CA 1.326 59.522 58.200 -0.006 0.000 0.988 116 S CB -0.762 62.436 63.200 -0.004 0.000 0.838 116 S HN 0.463 nan 8.310 nan 0.000 0.462 117 I N 2.285 122.854 120.570 -0.003 0.000 2.208 117 I HA -0.183 3.986 4.170 -0.000 0.000 0.245 117 I C 3.076 179.190 176.117 -0.005 0.000 1.097 117 I CA 1.320 62.618 61.300 -0.002 0.000 1.363 117 I CB -0.644 37.356 38.000 0.001 0.000 1.051 117 I HN 0.479 nan 8.210 nan 0.000 0.413 118 A N 0.290 123.107 122.820 -0.006 0.000 1.929 118 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 118 A C 2.442 180.018 177.584 -0.014 0.000 1.176 118 A CA 1.189 53.220 52.037 -0.010 0.000 0.628 118 A CB -0.478 18.514 19.000 -0.013 0.000 0.816 118 A HN 0.271 nan 8.150 nan 0.000 0.444 119 R N -0.527 119.963 120.500 -0.016 0.000 2.075 119 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 119 R C 2.581 178.873 176.300 -0.013 0.000 1.126 119 R CA 1.699 57.788 56.100 -0.017 0.000 0.963 119 R CB -0.262 30.026 30.300 -0.020 0.000 0.858 119 R HN 0.491 nan 8.270 nan 0.000 0.435 120 K N 0.808 121.202 120.400 -0.010 0.000 2.209 120 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 120 K C 1.838 178.434 176.600 -0.007 0.000 1.048 120 K CA 1.281 57.563 56.287 -0.008 0.000 0.940 120 K CB -0.745 31.751 32.500 -0.006 0.000 0.729 120 K HN 0.220 nan 8.250 nan 0.000 0.451 121 L N -0.898 120.321 121.223 -0.008 0.000 2.552 121 L HA 0.122 4.461 4.340 -0.000 0.000 0.227 121 L C 1.811 178.677 176.870 -0.007 0.000 1.146 121 L CA 0.725 55.561 54.840 -0.007 0.000 0.858 121 L CB -0.114 41.940 42.059 -0.008 0.000 0.969 121 L HN 0.653 nan 8.230 nan 0.000 0.451 122 G N -0.178 108.617 108.800 -0.007 0.000 2.159 122 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.256 122 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.256 122 G C 0.402 175.304 174.900 0.003 0.000 0.977 122 G CA 0.110 45.208 45.100 -0.004 0.000 0.652 122 G HN 0.510 nan 8.290 nan 0.000 0.531 123 A N -0.453 122.367 122.820 -0.001 0.000 2.332 123 A HA 0.718 5.038 4.320 -0.000 0.000 0.258 123 A C 0.500 178.087 177.584 0.007 0.000 1.087 123 A CA 0.074 52.116 52.037 0.009 0.000 0.802 123 A CB 0.667 19.661 19.000 -0.009 0.000 1.042 123 A HN 1.526 nan 8.150 nan 0.000 0.489 124 L N 1.573 122.820 121.223 0.040 0.000 2.385 124 L HA 0.366 4.705 4.340 -0.000 0.000 0.281 124 L C 0.005 176.821 176.870 -0.090 0.000 1.106 124 L CA 0.858 55.693 54.840 -0.009 0.000 0.856 124 L CB 0.245 42.334 42.059 0.049 0.000 1.186 124 L HN 0.568 nan 8.230 nan 0.000 0.453 125 T N 5.254 119.745 114.554 -0.106 0.000 2.756 125 T HA 0.524 4.874 4.350 -0.000 0.000 0.290 125 T C -0.473 174.121 174.700 -0.176 0.000 0.985 125 T CA -0.376 61.645 62.100 -0.131 0.000 0.955 125 T CB 0.909 69.734 68.868 -0.072 0.000 0.930 125 T HN 0.337 nan 8.240 nan 0.000 0.451 126 V N 3.109 122.843 119.914 -0.300 0.000 2.378 126 V HA 0.694 4.814 4.120 -0.000 0.000 0.288 126 V C 0.758 176.780 176.094 -0.120 0.000 1.016 126 V CA -0.936 61.191 62.300 -0.289 0.000 0.840 126 V CB 1.618 33.074 31.823 -0.611 0.000 0.994 126 V HN 0.966 nan 8.190 nan 0.000 0.431 127 G N 3.166 111.956 108.800 -0.016 0.000 2.425 127 G HA2 0.607 4.567 3.960 -0.000 0.000 0.302 127 G HA3 0.607 4.567 3.960 -0.000 0.000 0.302 127 G C -0.906 174.054 174.900 0.101 0.000 1.159 127 G CA -0.439 44.692 45.100 0.053 0.000 0.865 127 G HN 0.579 nan 8.290 nan 0.000 0.515 128 V N 1.316 121.304 119.914 0.123 0.000 2.531 128 V HA 0.631 4.750 4.120 -0.000 0.000 0.301 128 V C -0.396 175.733 176.094 0.058 0.000 1.034 128 V CA -0.782 61.580 62.300 0.103 0.000 0.865 128 V CB 1.318 33.219 31.823 0.131 0.000 0.995 128 V HN 0.616 nan 8.190 nan 0.000 0.424 129 V N 4.257 124.190 119.914 0.032 0.000 3.007 129 V HA 0.854 4.974 4.120 -0.000 0.000 0.311 129 V C -0.161 175.928 176.094 -0.008 0.000 1.120 129 V CA -0.061 62.246 62.300 0.012 0.000 0.980 129 V CB 2.977 34.803 31.823 0.006 0.000 1.033 129 V HN 1.072 nan 8.190 nan 0.000 0.429 130 T N 3.253 117.794 114.554 -0.022 0.000 2.856 130 T HA 0.669 5.019 4.350 -0.000 0.000 0.283 130 T C -0.513 174.143 174.700 -0.072 0.000 1.008 130 T CA -0.775 61.292 62.100 -0.055 0.000 0.997 130 T CB 1.423 70.256 68.868 -0.057 0.000 0.992 130 T HN 0.708 nan 8.240 nan 0.000 0.454 131 R N 2.856 123.290 120.500 -0.110 0.000 2.265 131 R HA 0.453 4.792 4.340 -0.000 0.000 0.319 131 R C -2.483 173.705 176.300 -0.187 0.000 1.006 131 R CA -2.038 53.991 56.100 -0.117 0.000 0.880 131 R CB 0.998 31.231 30.300 -0.111 0.000 1.077 131 R HN 0.501 nan 8.270 nan 0.000 0.454 132 P HA -0.040 nan 4.420 nan 0.000 0.271 132 P C -0.524 176.620 177.300 -0.260 0.000 1.233 132 P CA -0.050 62.952 63.100 -0.163 0.000 0.789 132 P CB 0.424 32.094 31.700 -0.050 0.000 0.951 133 F N -0.085 119.670 119.950 -0.324 0.000 2.518 133 F HA -0.006 4.521 4.527 -0.000 0.000 0.359 133 F C 2.110 177.625 175.800 -0.475 0.000 1.118 133 F CA 0.725 58.390 58.000 -0.559 0.000 1.287 133 F CB -0.101 38.082 39.000 -1.361 0.000 1.132 133 F HN 0.249 nan 8.300 nan 0.000 0.587 134 S N 2.215 117.847 115.700 -0.113 0.000 2.419 134 S HA -0.199 4.270 4.470 -0.000 0.000 0.233 134 S C 1.746 176.361 174.600 0.024 0.000 1.016 134 S CA 1.004 59.187 58.200 -0.030 0.000 0.974 134 S CB -0.482 62.734 63.200 0.028 0.000 0.786 134 S HN 0.667 nan 8.310 nan 0.000 0.492 135 F N 1.867 121.890 119.950 0.121 0.000 2.641 135 F HA 0.179 4.706 4.527 -0.000 0.000 0.298 135 F C 1.490 177.341 175.800 0.085 0.000 1.146 135 F CA 0.196 58.236 58.000 0.065 0.000 1.464 135 F CB -0.868 38.132 39.000 -0.000 0.000 1.101 135 F HN 0.140 nan 8.300 nan 0.000 0.585 136 E N 0.834 121.053 120.200 0.032 0.000 2.358 136 E HA 0.258 4.608 4.350 -0.000 0.000 0.195 136 E C 1.583 178.253 176.600 0.116 0.000 1.010 136 E CA 0.423 56.902 56.400 0.132 0.000 0.856 136 E CB -0.280 29.457 29.700 0.062 0.000 0.795 136 E HN 0.608 nan 8.360 nan 0.000 0.504 137 G N 1.498 110.349 108.800 0.086 0.000 2.615 137 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.218 137 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.218 137 G C -0.635 174.288 174.900 0.039 0.000 1.339 137 G CA -0.178 44.962 45.100 0.066 0.000 0.884 137 G HN 0.128 nan 8.290 nan 0.000 0.559 138 K N -0.242 120.178 120.400 0.033 0.000 2.550 138 K HA 0.523 4.843 4.320 -0.000 0.000 0.252 138 K C -0.290 176.322 176.600 0.020 0.000 0.943 138 K CA -0.929 55.370 56.287 0.020 0.000 0.806 138 K CB 1.068 33.577 32.500 0.015 0.000 1.289 138 K HN 0.609 nan 8.250 nan 0.000 0.435 139 R N 1.526 122.036 120.500 0.016 0.000 2.404 139 R HA 0.391 4.731 4.340 -0.000 0.000 0.291 139 R C 0.339 176.645 176.300 0.009 0.000 1.025 139 R CA -0.519 55.589 56.100 0.013 0.000 0.991 139 R CB 0.738 31.046 30.300 0.013 0.000 1.053 139 R HN 0.843 nan 8.270 nan 0.000 0.479 140 R N 1.016 121.521 120.500 0.009 0.000 2.767 140 R HA 0.172 4.512 4.340 -0.000 0.000 0.264 140 R C 1.220 177.522 176.300 0.004 0.000 0.987 140 R CA 1.116 57.219 56.100 0.006 0.000 1.114 140 R CB -1.505 28.799 30.300 0.006 0.000 0.976 140 R HN 1.052 nan 8.270 nan 0.000 0.437 141 S N -0.566 115.135 115.700 0.002 0.000 3.228 141 S HA -0.202 4.267 4.470 -0.000 0.000 0.282 141 S C 1.017 175.616 174.600 -0.001 0.000 1.286 141 S CA 1.704 59.904 58.200 0.001 0.000 1.066 141 S CB -1.881 nan 63.200 nan 0.000 1.277 141 S HN 2.427 nan 8.310 nan 0.000 0.661 142 N N -0.606 118.094 118.700 -0.001 0.000 2.735 142 N HA -0.231 4.509 4.740 -0.000 0.000 0.248 142 N C 0.891 176.398 175.510 -0.005 0.000 1.083 142 N CA 1.836 54.884 53.050 -0.004 0.000 0.703 142 N CB -1.477 37.006 38.487 -0.006 0.000 1.005 142 N HN 1.169 nan 8.380 nan 0.000 0.550 143 Q N -1.319 118.479 119.800 -0.002 0.000 2.224 143 Q HA 0.053 4.393 4.340 -0.000 0.000 0.203 143 Q C 1.965 177.962 176.000 -0.004 0.000 0.970 143 Q CA 1.428 57.230 55.803 -0.002 0.000 0.865 143 Q CB -0.180 28.558 28.738 0.000 0.000 0.922 143 Q HN 0.418 nan 8.270 nan 0.000 0.445 144 A N 1.880 124.697 122.820 -0.006 0.000 1.859 144 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 144 A C 2.107 179.682 177.584 -0.014 0.000 1.209 144 A CA 1.987 54.018 52.037 -0.011 0.000 0.639 144 A CB -0.971 18.020 19.000 -0.015 0.000 0.835 144 A HN 0.503 nan 8.150 nan 0.000 0.450 145 E N 0.528 120.719 120.200 -0.015 0.000 2.118 145 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 145 E C 1.722 178.314 176.600 -0.013 0.000 0.992 145 E CA 1.876 58.266 56.400 -0.016 0.000 0.804 145 E CB -0.304 29.386 29.700 -0.017 0.000 0.741 145 E HN 0.645 nan 8.360 nan 0.000 0.458 146 N N -0.380 118.313 118.700 -0.010 0.000 2.270 146 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 146 N C 1.782 177.288 175.510 -0.007 0.000 1.016 146 N CA 1.185 54.230 53.050 -0.008 0.000 0.870 146 N CB -0.652 37.831 38.487 -0.006 0.000 0.979 146 N HN 0.324 nan 8.380 nan 0.000 0.431 147 G N 1.366 110.162 108.800 -0.006 0.000 2.408 147 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 147 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 147 G C 1.654 176.551 174.900 -0.004 0.000 1.150 147 G CA 0.219 45.317 45.100 -0.004 0.000 0.776 147 G HN 0.239 nan 8.290 nan 0.000 0.542 148 I N 1.249 121.814 120.570 -0.008 0.000 2.202 148 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 148 I C 3.254 179.365 176.117 -0.010 0.000 1.091 148 I CA 1.008 62.302 61.300 -0.009 0.000 1.368 148 I CB -0.165 37.825 38.000 -0.015 0.000 1.058 148 I HN 0.237 nan 8.210 nan 0.000 0.410 149 A N 0.570 123.383 122.820 -0.011 0.000 1.930 149 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 149 A C 2.492 180.071 177.584 -0.009 0.000 1.175 149 A CA 1.704 53.733 52.037 -0.012 0.000 0.627 149 A CB -0.667 18.326 19.000 -0.013 0.000 0.815 149 A HN 0.429 nan 8.150 nan 0.000 0.443 150 A N -0.686 122.130 122.820 -0.006 0.000 1.872 150 A HA 0.077 4.397 4.320 -0.000 0.000 0.214 150 A C 2.044 179.626 177.584 -0.003 0.000 1.187 150 A CA 1.504 53.538 52.037 -0.005 0.000 0.614 150 A CB -0.590 18.408 19.000 -0.003 0.000 0.826 150 A HN 0.494 nan 8.150 nan 0.000 0.442 151 L N -0.016 121.206 121.223 -0.002 0.000 2.079 151 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 151 L C 2.431 179.299 176.870 -0.004 0.000 1.081 151 L CA 1.877 56.717 54.840 -0.000 0.000 0.752 151 L CB -0.679 41.382 42.059 0.004 0.000 0.896 151 L HN 0.394 nan 8.230 nan 0.000 0.433 152 R N -0.472 120.024 120.500 -0.005 0.000 2.081 152 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 152 R C 2.143 178.438 176.300 -0.008 0.000 1.131 152 R CA 1.631 57.727 56.100 -0.007 0.000 0.960 152 R CB -0.191 30.103 30.300 -0.009 0.000 0.856 152 R HN 0.586 nan 8.270 nan 0.000 0.436 153 E N -0.204 119.991 120.200 -0.007 0.000 2.268 153 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 153 E C 1.603 178.199 176.600 -0.008 0.000 0.995 153 E CA 1.511 57.907 56.400 -0.007 0.000 0.836 153 E CB -0.233 29.463 29.700 -0.007 0.000 0.763 153 E HN 0.477 nan 8.360 nan 0.000 0.491 154 S N -1.449 114.246 115.700 -0.009 0.000 2.511 154 S HA 0.217 4.687 4.470 -0.000 0.000 0.214 154 S C 0.626 175.216 174.600 -0.015 0.000 0.997 154 S CA -0.186 58.008 58.200 -0.010 0.000 0.908 154 S CB 0.030 63.226 63.200 -0.006 0.000 0.803 154 S HN 0.606 nan 8.310 nan 0.000 0.504 155 C N 2.371 121.661 119.300 -0.018 0.000 2.365 155 C HA 0.401 4.861 4.460 -0.000 0.000 0.349 155 C C 1.548 176.519 174.990 -0.033 0.000 1.191 155 C CA -0.769 58.232 59.018 -0.029 0.000 2.114 155 C CB 1.129 28.854 27.740 -0.025 0.000 2.367 155 C HN 0.428 nan 8.230 nan 0.000 0.530 156 D N 0.682 121.053 120.400 -0.049 0.000 2.084 156 D HA -0.028 4.612 4.640 -0.000 0.000 0.196 156 D C 0.483 176.755 176.300 -0.045 0.000 0.985 156 D CA 1.550 55.520 54.000 -0.051 0.000 0.826 156 D CB 0.181 40.939 40.800 -0.070 0.000 0.978 156 D HN 0.556 nan 8.370 nan 0.000 0.456 157 T N 0.618 115.139 114.554 -0.056 0.000 2.861 157 T HA 0.423 4.773 4.350 -0.000 0.000 0.287 157 T C -0.851 173.833 174.700 -0.026 0.000 1.003 157 T CA -0.606 61.472 62.100 -0.037 0.000 0.977 157 T CB 2.351 71.193 68.868 -0.043 0.000 0.996 157 T HN -0.150 nan 8.240 nan 0.000 0.448 158 L N 4.704 125.924 121.223 -0.005 0.000 2.298 158 L HA 0.607 4.947 4.340 -0.000 0.000 0.284 158 L C -0.893 175.989 176.870 0.020 0.000 1.013 158 L CA -0.609 54.235 54.840 0.007 0.000 0.824 158 L CB 0.388 42.449 42.059 0.003 0.000 1.221 158 L HN 0.633 nan 8.230 nan 0.000 0.418 159 I N 6.028 126.622 120.570 0.040 0.000 2.337 159 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 159 I C -0.363 175.771 176.117 0.029 0.000 1.046 159 I CA -0.487 60.840 61.300 0.045 0.000 1.324 159 I CB 1.145 39.192 38.000 0.079 0.000 1.409 159 I HN 0.262 nan 8.210 nan 0.000 0.494 160 V N 8.279 128.200 119.914 0.012 0.000 2.370 160 V HA 0.348 4.467 4.120 -0.000 0.000 0.279 160 V C 0.195 176.280 176.094 -0.015 0.000 1.029 160 V CA -0.385 61.911 62.300 -0.005 0.000 0.870 160 V CB 1.494 33.308 31.823 -0.015 0.000 0.984 160 V HN 0.469 nan 8.190 nan 0.000 0.451 161 I N 8.248 128.800 120.570 -0.029 0.000 2.330 161 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 161 I C -2.230 173.831 176.117 -0.093 0.000 1.025 161 I CA -1.820 59.450 61.300 -0.049 0.000 1.197 161 I CB 2.026 40.001 38.000 -0.042 0.000 1.358 161 I HN 0.434 nan 8.210 nan 0.000 0.467 162 P HA 0.199 nan 4.420 nan 0.000 0.283 162 P C -0.275 176.893 177.300 -0.220 0.000 1.412 162 P CA -0.366 62.650 63.100 -0.140 0.000 0.912 162 P CB 0.748 32.393 31.700 -0.092 0.000 1.132 163 N N 2.284 120.752 118.700 -0.387 0.000 2.348 163 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 163 N C 1.068 176.195 175.510 -0.638 0.000 1.019 163 N CA 1.131 53.755 53.050 -0.709 0.000 0.880 163 N CB -0.380 37.257 38.487 -1.417 0.000 0.965 163 N HN 0.394 nan 8.380 nan 0.000 0.437 164 D N 0.645 120.824 120.400 -0.369 0.000 2.149 164 D HA -0.108 4.531 4.640 -0.000 0.000 0.198 164 D C 1.714 178.010 176.300 -0.006 0.000 0.990 164 D CA 0.699 54.645 54.000 -0.089 0.000 0.839 164 D CB 0.026 40.797 40.800 -0.047 0.000 0.948 164 D HN 0.123 nan 8.370 nan 0.000 0.460 165 R N 0.337 120.808 120.500 -0.048 0.000 2.241 165 R HA -0.016 4.323 4.340 -0.000 0.000 0.224 165 R C 2.343 178.656 176.300 0.022 0.000 1.101 165 R CA 0.091 56.185 56.100 -0.009 0.000 0.995 165 R CB -0.746 29.540 30.300 -0.024 0.000 0.870 165 R HN 0.359 nan 8.270 nan 0.000 0.463 166 L N 0.214 121.458 121.223 0.035 0.000 2.201 166 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 166 L C 1.887 178.828 176.870 0.119 0.000 1.105 166 L CA 0.844 55.736 54.840 0.087 0.000 0.775 166 L CB -0.363 41.779 42.059 0.139 0.000 0.913 166 L HN 0.089 nan 8.230 nan 0.000 0.440 167 L N -0.662 120.651 121.223 0.151 0.000 2.610 167 L HA -0.097 4.243 4.340 -0.000 0.000 0.232 167 L C 1.490 178.402 176.870 0.070 0.000 1.149 167 L CA 0.463 55.376 54.840 0.121 0.000 0.872 167 L CB -0.334 41.815 42.059 0.151 0.000 0.992 167 L HN 0.362 nan 8.230 nan 0.000 0.447 168 Q N -0.527 119.308 119.800 0.058 0.000 2.198 168 Q HA 0.283 4.623 4.340 -0.000 0.000 0.209 168 Q C 0.060 176.080 176.000 0.033 0.000 0.848 168 Q CA -0.047 55.780 55.803 0.039 0.000 0.974 168 Q CB 0.613 29.370 28.738 0.032 0.000 1.115 168 Q HN 0.444 nan 8.270 nan 0.000 0.494 169 M N 0.970 120.593 119.600 0.039 0.000 2.129 169 M HA 0.520 4.999 4.480 -0.000 0.000 0.348 169 M C 0.199 176.517 176.300 0.030 0.000 1.116 169 M CA -0.175 55.145 55.300 0.033 0.000 1.022 169 M CB 1.530 34.152 32.600 0.036 0.000 1.599 169 M HN 0.307 nan 8.290 nan 0.000 0.449 175 S N 4.150 119.804 115.700 -0.076 0.000 2.686 175 S HA 0.620 5.089 4.470 -0.000 0.000 0.270 175 S C 0.826 175.314 174.600 -0.187 0.000 1.194 175 S CA -0.048 58.082 58.200 -0.118 0.000 0.990 175 S CB 1.514 64.665 63.200 -0.081 0.000 1.029 175 S HN 0.881 nan 8.310 nan 0.000 0.560 176 L N 0.240 121.325 121.223 -0.231 0.000 2.109 176 L HA 0.174 4.514 4.340 -0.000 0.000 0.207 176 L C 2.238 178.954 176.870 -0.256 0.000 1.086 176 L CA 1.804 56.419 54.840 -0.376 0.000 0.760 176 L CB -1.083 40.772 42.059 -0.340 0.000 0.910 176 L HN 0.783 nan 8.230 nan 0.000 0.437 177 M N -0.636 118.932 119.600 -0.053 0.000 2.200 177 M HA -0.127 4.352 4.480 -0.000 0.000 0.265 177 M C 1.830 178.167 176.300 0.063 0.000 1.066 177 M CA 1.356 56.707 55.300 0.086 0.000 1.127 177 M CB -0.735 31.905 32.600 0.066 0.000 1.379 177 M HN 0.182 nan 8.290 nan 0.000 0.420 178 D N 0.298 120.696 120.400 -0.003 0.000 2.117 178 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 178 D C 2.044 178.352 176.300 0.013 0.000 0.987 178 D CA 1.686 55.694 54.000 0.012 0.000 0.829 178 D CB -0.234 40.563 40.800 -0.004 0.000 0.961 178 D HN 0.373 nan 8.370 nan 0.000 0.460 179 A N 0.826 123.580 122.820 -0.110 0.000 1.865 179 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 179 A C 2.175 179.784 177.584 0.042 0.000 1.191 179 A CA 1.249 53.199 52.037 -0.144 0.000 0.623 179 A CB -1.211 17.448 19.000 -0.568 0.000 0.826 179 A HN 0.199 nan 8.150 nan 0.000 0.444 180 F N -0.569 119.433 119.950 0.085 0.000 2.186 180 F HA -0.138 4.388 4.527 -0.001 0.000 0.299 180 F C 2.738 178.619 175.800 0.134 0.000 1.090 180 F CA 1.243 59.336 58.000 0.155 0.000 1.307 180 F CB -0.150 38.903 39.000 0.088 0.000 1.019 180 F HN 0.112 nan 8.300 nan 0.000 0.489 181 R N -0.054 120.608 120.500 0.269 0.000 2.092 181 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 181 R C 2.276 178.663 176.300 0.145 0.000 1.119 181 R CA 1.467 57.669 56.100 0.169 0.000 0.970 181 R CB -0.578 29.789 30.300 0.112 0.000 0.864 181 R HN 0.174 nan 8.270 nan 0.000 0.440 182 S N 1.116 116.906 115.700 0.150 0.000 2.368 182 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 182 S C 2.136 176.818 174.600 0.137 0.000 1.030 182 S CA 1.242 59.519 58.200 0.128 0.000 0.999 182 S CB -0.207 63.069 63.200 0.127 0.000 0.844 182 S HN 0.461 nan 8.310 nan 0.000 0.459 183 A N 2.376 125.322 122.820 0.210 0.000 1.883 183 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 183 A C 1.863 179.511 177.584 0.108 0.000 1.186 183 A CA 1.805 53.938 52.037 0.161 0.000 0.624 183 A CB -0.788 18.370 19.000 0.265 0.000 0.822 183 A HN 0.361 nan 8.150 nan 0.000 0.444 184 D N -0.317 120.159 120.400 0.127 0.000 2.104 184 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 184 D C 1.946 178.275 176.300 0.049 0.000 0.994 184 D CA 1.608 55.655 54.000 0.077 0.000 0.830 184 D CB -0.410 40.435 40.800 0.076 0.000 0.959 184 D HN 0.672 nan 8.370 nan 0.000 0.452 185 E N 0.191 120.424 120.200 0.055 0.000 2.051 185 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 185 E C 2.389 179.005 176.600 0.026 0.000 0.991 185 E CA 1.230 57.652 56.400 0.036 0.000 0.799 185 E CB 0.002 29.727 29.700 0.041 0.000 0.748 185 E HN 0.261 nan 8.360 nan 0.000 0.449 186 V N 0.018 119.950 119.914 0.031 0.000 2.427 186 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 186 V C 2.258 178.358 176.094 0.010 0.000 1.051 186 V CA 1.267 63.578 62.300 0.018 0.000 1.048 186 V CB -0.586 31.246 31.823 0.015 0.000 0.666 186 V HN 0.145 nan 8.190 nan 0.000 0.456 187 L N 0.469 121.700 121.223 0.013 0.000 1.990 187 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 187 L C 2.390 179.257 176.870 -0.005 0.000 1.072 187 L CA 2.721 57.566 54.840 0.008 0.000 0.755 187 L CB -0.913 41.154 42.059 0.014 0.000 0.889 187 L HN 0.470 nan 8.230 nan 0.000 0.432 188 L N -0.284 120.935 121.223 -0.006 0.000 2.081 188 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 188 L C 2.172 179.021 176.870 -0.034 0.000 1.080 188 L CA 2.400 57.227 54.840 -0.021 0.000 0.754 188 L CB -0.913 41.138 42.059 -0.013 0.000 0.893 188 L HN 0.535 nan 8.230 nan 0.000 0.433 189 N N -1.007 117.682 118.700 -0.018 0.000 2.309 189 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 189 N C 1.827 177.323 175.510 -0.024 0.000 1.018 189 N CA 0.750 53.789 53.050 -0.019 0.000 0.876 189 N CB -0.270 38.216 38.487 -0.003 0.000 0.972 189 N HN 0.532 nan 8.380 nan 0.000 0.434 190 G N -0.310 108.481 108.800 -0.015 0.000 2.479 190 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 190 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 190 G C 1.319 176.195 174.900 -0.040 0.000 1.115 190 G CA 0.745 45.849 45.100 0.007 0.000 0.757 190 G HN 0.193 nan 8.290 nan 0.000 0.560 191 V N -0.603 119.211 119.914 -0.167 0.000 2.521 191 V HA -0.010 4.110 4.120 -0.000 0.000 0.239 191 V C 2.515 178.409 176.094 -0.334 0.000 1.053 191 V CA 1.447 63.461 62.300 -0.477 0.000 1.073 191 V CB -0.214 31.295 31.823 -0.523 0.000 0.746 191 V HN 0.378 nan 8.190 nan 0.000 0.476 192 Q N 0.526 120.222 119.800 -0.172 0.000 2.084 192 Q HA -0.150 4.189 4.340 -0.000 0.000 0.202 192 Q C 2.183 178.146 176.000 -0.062 0.000 0.978 192 Q CA 2.029 57.772 55.803 -0.100 0.000 0.844 192 Q CB -0.485 28.224 28.738 -0.048 0.000 0.898 192 Q HN 0.652 nan 8.270 nan 0.000 0.426 193 G N 1.199 109.973 108.800 -0.043 0.000 2.491 193 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 193 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 193 G C 1.364 176.264 174.900 0.000 0.000 1.180 193 G CA 1.280 46.370 45.100 -0.016 0.000 0.774 193 G HN 0.396 nan 8.290 nan 0.000 0.562 194 I N 1.221 121.810 120.570 0.031 0.000 2.233 194 I HA -0.108 4.062 4.170 -0.000 0.000 0.243 194 I C 3.224 179.401 176.117 0.099 0.000 1.093 194 I CA 1.663 63.022 61.300 0.098 0.000 1.380 194 I CB -0.654 37.489 38.000 0.238 0.000 1.067 194 I HN 0.341 nan 8.210 nan 0.000 0.413 195 T N -1.877 112.704 114.554 0.044 0.000 2.777 195 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 195 T C 1.619 176.327 174.700 0.014 0.000 1.040 195 T CA 1.468 63.591 62.100 0.039 0.000 1.141 195 T CB -0.480 68.353 68.868 -0.059 0.000 0.868 195 T HN 0.147 nan 8.240 nan 0.000 0.444 196 D N 1.179 121.573 120.400 -0.010 0.000 2.133 196 D HA -0.050 4.590 4.640 -0.000 0.000 0.195 196 D C 1.999 178.296 176.300 -0.006 0.000 0.997 196 D CA 0.725 54.718 54.000 -0.011 0.000 0.840 196 D CB -0.602 40.188 40.800 -0.018 0.000 0.947 196 D HN 0.272 nan 8.370 nan 0.000 0.452 197 L N 0.716 121.936 121.223 -0.005 0.000 2.013 197 L HA -0.168 4.171 4.340 -0.000 0.000 0.212 197 L C 2.159 179.039 176.870 0.017 0.000 1.073 197 L CA 1.532 56.364 54.840 -0.013 0.000 0.753 197 L CB -0.463 41.588 42.059 -0.015 0.000 0.890 197 L HN 0.069 nan 8.230 nan 0.000 0.432 198 I N -1.376 119.225 120.570 0.052 0.000 2.286 198 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 198 I C 2.167 178.308 176.117 0.039 0.000 1.104 198 I CA 1.699 63.045 61.300 0.077 0.000 1.397 198 I CB -0.521 37.561 38.000 0.137 0.000 1.072 198 I HN 0.510 nan 8.210 nan 0.000 0.417 199 T N -3.963 110.601 114.554 0.017 0.000 3.023 199 T HA 0.101 4.451 4.350 -0.000 0.000 0.249 199 T C 0.831 175.530 174.700 -0.002 0.000 1.050 199 T CA 0.026 62.125 62.100 -0.002 0.000 1.088 199 T CB -0.111 68.745 68.868 -0.019 0.000 0.946 199 T HN 0.006 nan 8.240 nan 0.000 0.480 200 T N 4.382 118.935 114.554 -0.002 0.000 2.758 200 T HA 0.544 4.893 4.350 -0.000 0.000 0.285 200 T C -2.791 171.908 174.700 -0.001 0.000 0.981 200 T CA -1.260 60.839 62.100 -0.003 0.000 0.965 200 T CB 1.448 70.313 68.868 -0.005 0.000 0.927 200 T HN 0.109 nan 8.240 nan 0.000 0.448 201 P HA 0.363 nan 4.420 nan 0.000 0.266 201 P C 0.179 177.479 177.300 -0.000 0.000 1.193 201 P CA 0.153 63.256 63.100 0.005 0.000 0.770 201 P CB 0.503 32.208 31.700 0.008 0.000 0.836 202 G N 0.324 109.124 108.800 -0.000 0.000 2.687 202 G HA2 0.321 4.281 3.960 -0.000 0.000 0.291 202 G HA3 0.321 4.281 3.960 -0.000 0.000 0.291 202 G C -0.004 174.902 174.900 0.010 0.000 1.420 202 G CA -0.644 44.455 45.100 -0.002 0.000 0.796 202 G HN 0.494 nan 8.290 nan 0.000 0.485 203 L N -0.255 120.980 121.223 0.019 0.000 2.042 203 L HA 0.198 4.537 4.340 -0.000 0.000 0.210 203 L C 0.771 177.668 176.870 0.044 0.000 1.076 203 L CA 1.542 56.403 54.840 0.036 0.000 0.749 203 L CB -0.296 41.792 42.059 0.049 0.000 0.893 203 L HN 0.341 nan 8.230 nan 0.000 0.432 204 I N 1.669 122.265 120.570 0.042 0.000 2.328 204 I HA 0.268 4.437 4.170 -0.000 0.000 0.287 204 I C -0.523 175.602 176.117 0.013 0.000 1.012 204 I CA -0.330 61.003 61.300 0.056 0.000 1.195 204 I CB 0.276 38.354 38.000 0.129 0.000 1.350 204 I HN 0.204 nan 8.210 nan 0.000 0.464 205 N N 5.143 123.859 118.700 0.026 0.000 2.466 205 N HA 0.569 5.309 4.740 -0.000 0.000 0.294 205 N C -0.334 175.194 175.510 0.029 0.000 1.129 205 N CA -0.385 52.676 53.050 0.018 0.000 0.931 205 N CB 3.196 41.700 38.487 0.028 0.000 1.193 205 N HN 0.421 nan 8.380 nan 0.000 0.500 206 V N -1.791 118.140 119.914 0.028 0.000 2.732 206 V HA 0.445 4.565 4.120 -0.000 0.000 0.310 206 V C -0.054 176.077 176.094 0.061 0.000 1.053 206 V CA -0.893 61.430 62.300 0.039 0.000 0.957 206 V CB 1.930 33.767 31.823 0.025 0.000 1.018 206 V HN 0.461 nan 8.190 nan 0.000 0.452 207 D N 1.914 122.348 120.400 0.056 0.000 2.316 207 D HA 0.172 4.812 4.640 -0.000 0.000 0.245 207 D C 0.637 176.982 176.300 0.074 0.000 1.171 207 D CA -0.302 53.740 54.000 0.070 0.000 0.856 207 D CB 0.923 41.749 40.800 0.043 0.000 1.090 207 D HN 0.625 nan 8.370 nan 0.000 0.476 208 F N 4.554 124.498 119.950 -0.009 0.000 2.085 208 F HA -0.328 4.199 4.527 -0.000 0.000 0.299 208 F C 2.031 177.814 175.800 -0.029 0.000 1.096 208 F CA 2.205 60.192 58.000 -0.021 0.000 1.227 208 F CB -0.276 38.704 39.000 -0.034 0.000 0.983 208 F HN 0.486 nan 8.300 nan 0.000 0.482 209 A N -0.352 122.410 122.820 -0.097 0.000 2.032 209 A HA -0.235 4.084 4.320 -0.000 0.000 0.221 209 A C 1.893 179.330 177.584 -0.245 0.000 1.165 209 A CA 2.136 54.054 52.037 -0.198 0.000 0.645 209 A CB -0.963 18.011 19.000 -0.044 0.000 0.807 209 A HN 0.507 nan 8.150 nan 0.000 0.453 210 D N -0.555 119.738 120.400 -0.179 0.000 2.103 210 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 210 D C 2.092 178.276 176.300 -0.194 0.000 0.978 210 D CA 1.268 55.184 54.000 -0.140 0.000 0.829 210 D CB -0.455 40.305 40.800 -0.066 0.000 0.981 210 D HN 0.192 nan 8.370 nan 0.000 0.464 211 V N 1.095 120.859 119.914 -0.250 0.000 2.282 211 V HA -0.273 3.846 4.120 -0.000 0.000 0.249 211 V C 2.394 178.274 176.094 -0.357 0.000 1.057 211 V CA 1.756 63.903 62.300 -0.255 0.000 1.032 211 V CB -0.466 31.224 31.823 -0.222 0.000 0.645 211 V HN 0.193 nan 8.190 nan 0.000 0.447 212 K N 0.138 120.162 120.400 -0.626 0.000 2.147 212 K HA -0.126 4.193 4.320 -0.000 0.000 0.205 212 K C 2.164 178.597 176.600 -0.279 0.000 1.049 212 K CA 1.421 57.391 56.287 -0.529 0.000 0.936 212 K CB -0.510 31.561 32.500 -0.716 0.000 0.722 212 K HN 0.514 nan 8.250 nan 0.000 0.446 213 G N 1.886 110.544 108.800 -0.237 0.000 2.421 213 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 213 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 213 G C 1.485 176.316 174.900 -0.115 0.000 1.171 213 G CA 1.081 46.094 45.100 -0.145 0.000 0.775 213 G HN 0.520 nan 8.290 nan 0.000 0.543 214 I N -2.875 117.627 120.570 -0.113 0.000 2.876 214 I HA 0.224 4.394 4.170 -0.000 0.000 0.264 214 I C 2.415 178.485 176.117 -0.079 0.000 1.204 214 I CA 0.848 62.099 61.300 -0.081 0.000 1.485 214 I CB -0.050 37.914 38.000 -0.059 0.000 1.103 214 I HN 0.084 nan 8.210 nan 0.000 0.446 215 M N 0.744 120.281 119.600 -0.105 0.000 2.466 215 M HA 0.142 4.622 4.480 -0.000 0.000 0.265 215 M C 0.869 177.115 176.300 -0.090 0.000 1.122 215 M CA 0.149 55.392 55.300 -0.093 0.000 1.157 215 M CB 0.133 32.668 32.600 -0.108 0.000 1.352 215 M HN 0.072 nan 8.290 nan 0.000 0.464 216 S N 1.264 116.901 115.700 -0.104 0.000 2.575 216 S HA 0.171 4.640 4.470 -0.000 0.000 0.295 216 S C 1.171 175.735 174.600 -0.059 0.000 1.267 216 S CA 0.606 58.756 58.200 -0.082 0.000 1.074 216 S CB 0.067 63.215 63.200 -0.086 0.000 0.829 216 S HN 0.732 nan 8.310 nan 0.000 0.497 217 G N 2.473 111.245 108.800 -0.047 0.000 2.269 217 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.277 217 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.277 217 G C 0.893 175.778 174.900 -0.025 0.000 1.008 217 G CA 0.515 45.596 45.100 -0.032 0.000 0.774 217 G HN 1.057 nan 8.290 nan 0.000 0.511 218 A N -1.051 121.751 122.820 -0.030 0.000 2.015 218 A HA 0.481 4.801 4.320 -0.000 0.000 0.219 218 A C 2.670 180.260 177.584 0.010 0.000 1.163 218 A CA 2.047 54.074 52.037 -0.017 0.000 0.646 218 A CB -0.411 18.573 19.000 -0.026 0.000 0.806 218 A HN 2.643 nan 8.150 nan 0.000 0.448 219 G N -1.820 106.983 108.800 0.006 0.000 2.496 219 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.243 219 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.243 219 G C 0.123 175.032 174.900 0.014 0.000 1.176 219 G CA -0.041 45.070 45.100 0.018 0.000 0.940 219 G HN 0.765 nan 8.290 nan 0.000 0.573 220 T N 1.524 116.091 114.554 0.022 0.000 2.869 220 T HA 0.646 4.995 4.350 -0.000 0.000 0.295 220 T C 0.549 175.263 174.700 0.024 0.000 0.987 220 T CA 1.012 63.122 62.100 0.016 0.000 1.109 220 T CB 1.117 69.989 68.868 0.007 0.000 0.932 220 T HN 1.785 nan 8.240 nan 0.000 0.518 221 A N 3.330 126.162 122.820 0.020 0.000 2.454 221 A HA 0.855 5.175 4.320 -0.000 0.000 0.302 221 A C -1.049 176.549 177.584 0.023 0.000 1.079 221 A CA -0.761 51.291 52.037 0.025 0.000 0.731 221 A CB 1.113 20.129 19.000 0.026 0.000 1.299 221 A HN 0.769 nan 8.150 nan 0.000 0.413 222 L N 1.298 122.535 121.223 0.023 0.000 2.303 222 L HA 0.740 5.080 4.340 -0.000 0.000 0.266 222 L C -0.007 176.878 176.870 0.024 0.000 1.011 222 L CA -0.535 54.316 54.840 0.018 0.000 0.818 222 L CB 2.069 44.136 42.059 0.013 0.000 1.326 222 L HN 0.877 nan 8.230 nan 0.000 0.435 223 M N 0.117 119.729 119.600 0.020 0.000 2.644 223 M HA 0.790 5.270 4.480 -0.000 0.000 0.304 223 M C -1.078 175.234 176.300 0.019 0.000 1.215 223 M CA -0.392 54.922 55.300 0.024 0.000 0.871 223 M CB 2.521 35.137 32.600 0.026 0.000 1.740 223 M HN 0.598 nan 8.290 nan 0.000 0.464 224 G N 3.453 112.266 108.800 0.022 0.000 2.701 224 G HA2 0.655 4.615 3.960 -0.000 0.000 0.300 224 G HA3 0.655 4.615 3.960 -0.000 0.000 0.300 224 G C -1.638 173.275 174.900 0.022 0.000 1.410 224 G CA -0.814 44.299 45.100 0.021 0.000 1.014 224 G HN 0.984 nan 8.290 nan 0.000 0.509 225 I N -0.479 120.104 120.570 0.020 0.000 2.846 225 I HA 1.026 5.196 4.170 -0.000 0.000 0.307 225 I C 0.139 176.270 176.117 0.022 0.000 1.053 225 I CA -1.335 59.977 61.300 0.020 0.000 1.050 225 I CB 2.768 40.778 38.000 0.017 0.000 1.239 225 I HN 0.777 nan 8.210 nan 0.000 0.439 226 G N 1.485 110.299 108.800 0.022 0.000 2.742 226 G HA2 0.624 4.584 3.960 -0.000 0.000 0.296 226 G HA3 0.624 4.584 3.960 -0.000 0.000 0.296 226 G C -1.783 173.131 174.900 0.023 0.000 1.436 226 G CA -0.562 44.552 45.100 0.024 0.000 0.928 226 G HN 0.673 nan 8.290 nan 0.000 0.520 227 S N -1.068 114.645 115.700 0.022 0.000 2.548 227 S HA 0.929 5.399 4.470 -0.000 0.000 0.276 227 S C -0.322 174.292 174.600 0.022 0.000 1.129 227 S CA 0.093 58.306 58.200 0.021 0.000 0.931 227 S CB 1.777 64.989 63.200 0.019 0.000 1.068 227 S HN 1.845 nan 8.310 nan 0.000 0.480 228 A N 2.854 125.688 122.820 0.023 0.000 2.610 228 A HA 0.860 5.180 4.320 -0.000 0.000 0.291 228 A C -1.325 176.273 177.584 0.024 0.000 1.086 228 A CA -0.826 51.225 52.037 0.024 0.000 0.677 228 A CB 1.408 20.423 19.000 0.026 0.000 1.278 228 A HN 0.684 nan 8.150 nan 0.000 0.414 229 R N -0.408 120.106 120.500 0.023 0.000 2.888 229 R HA 0.726 5.065 4.340 -0.000 0.000 0.266 229 R C 0.576 176.891 176.300 0.024 0.000 1.020 229 R CA 0.156 56.269 56.100 0.023 0.000 0.963 229 R CB 1.935 32.247 30.300 0.019 0.000 1.197 229 R HN 2.290 nan 8.270 nan 0.000 0.481 230 G N 1.189 110.004 108.800 0.025 0.000 2.562 230 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.250 230 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.250 230 G C -0.560 174.358 174.900 0.031 0.000 1.269 230 G CA -0.178 44.937 45.100 0.025 0.000 0.919 230 G HN 0.621 nan 8.290 nan 0.000 0.574 231 E N 1.342 121.560 120.200 0.030 0.000 2.316 231 E HA 0.426 4.775 4.350 -0.000 0.000 0.275 231 E C 1.281 177.906 176.600 0.041 0.000 1.029 231 E CA 0.787 57.209 56.400 0.036 0.000 0.871 231 E CB 0.132 29.851 29.700 0.031 0.000 1.022 231 E HN 2.243 nan 8.360 nan 0.000 0.418 232 G N 4.354 113.186 108.800 0.053 0.000 2.148 232 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.254 232 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.254 232 G C 0.933 175.861 174.900 0.046 0.000 0.981 232 G CA 0.752 45.885 45.100 0.055 0.000 0.670 232 G HN 0.769 nan 8.290 nan 0.000 0.528 233 R N 0.121 120.649 120.500 0.045 0.000 2.096 233 R HA -0.084 4.256 4.340 -0.000 0.000 0.240 233 R C 2.303 178.629 176.300 0.042 0.000 1.139 233 R CA 2.078 58.202 56.100 0.040 0.000 0.952 233 R CB -0.914 29.409 30.300 0.039 0.000 0.854 233 R HN 0.297 nan 8.270 nan 0.000 0.436 234 S N 1.166 116.896 115.700 0.049 0.000 2.368 234 S HA -0.017 4.453 4.470 -0.000 0.000 0.225 234 S C 1.985 176.611 174.600 0.044 0.000 1.030 234 S CA 1.157 59.389 58.200 0.053 0.000 0.999 234 S CB -0.206 63.031 63.200 0.060 0.000 0.844 234 S HN 0.238 nan 8.310 nan 0.000 0.459 235 L N 1.279 122.522 121.223 0.033 0.000 2.027 235 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 235 L C 3.026 179.911 176.870 0.026 0.000 1.074 235 L CA 1.634 56.487 54.840 0.022 0.000 0.745 235 L CB -0.742 41.327 42.059 0.017 0.000 0.898 235 L HN 0.382 nan 8.230 nan 0.000 0.433 236 K N 0.127 120.544 120.400 0.029 0.000 2.032 236 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 236 K C 2.111 178.727 176.600 0.028 0.000 1.048 236 K CA 1.684 57.987 56.287 0.027 0.000 0.927 236 K CB -1.380 31.136 32.500 0.027 0.000 0.712 236 K HN 0.468 nan 8.250 nan 0.000 0.441 237 A N 0.847 123.685 122.820 0.031 0.000 1.898 237 A HA 0.287 4.607 4.320 -0.000 0.000 0.216 237 A C 2.779 180.384 177.584 0.036 0.000 1.181 237 A CA 2.067 54.124 52.037 0.032 0.000 0.620 237 A CB -0.779 18.241 19.000 0.033 0.000 0.819 237 A HN 0.940 nan 8.150 nan 0.000 0.442 238 A N -0.404 122.441 122.820 0.042 0.000 1.930 238 A HA -0.097 4.222 4.320 -0.000 0.000 0.217 238 A C 1.946 179.552 177.584 0.037 0.000 1.175 238 A CA 1.993 54.060 52.037 0.050 0.000 0.627 238 A CB -0.413 18.625 19.000 0.063 0.000 0.815 238 A HN 0.554 nan 8.150 nan 0.000 0.443 239 E N 0.349 120.566 120.200 0.028 0.000 2.051 239 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 239 E C 1.685 178.299 176.600 0.023 0.000 0.991 239 E CA 1.454 57.867 56.400 0.022 0.000 0.799 239 E CB -0.377 29.333 29.700 0.018 0.000 0.748 239 E HN 0.635 nan 8.360 nan 0.000 0.449 240 I N 0.418 121.002 120.570 0.024 0.000 2.208 240 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 240 I C 2.383 178.515 176.117 0.025 0.000 1.097 240 I CA 1.172 62.486 61.300 0.023 0.000 1.363 240 I CB -0.393 37.621 38.000 0.023 0.000 1.051 240 I HN 0.204 nan 8.210 nan 0.000 0.413 241 A N 0.857 123.694 122.820 0.028 0.000 1.873 241 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 241 A C 2.256 179.859 177.584 0.030 0.000 1.186 241 A CA 1.395 53.450 52.037 0.030 0.000 0.616 241 A CB -0.795 18.225 19.000 0.034 0.000 0.823 241 A HN 0.361 nan 8.150 nan 0.000 0.442 242 I N 0.306 120.895 120.570 0.032 0.000 2.454 242 I HA -0.192 3.978 4.170 -0.000 0.000 0.254 242 I C 1.280 177.413 176.117 0.026 0.000 1.156 242 I CA 0.932 62.250 61.300 0.031 0.000 1.433 242 I CB -0.150 37.869 38.000 0.030 0.000 1.082 242 I HN 0.309 nan 8.210 nan 0.000 0.432 243 N N -0.080 118.634 118.700 0.023 0.000 2.230 243 N HA 0.057 4.797 4.740 -0.000 0.000 0.202 243 N C 0.481 176.003 175.510 0.019 0.000 1.119 243 N CA 0.068 53.130 53.050 0.020 0.000 0.851 243 N CB 0.433 38.931 38.487 0.018 0.000 0.990 243 N HN 0.073 nan 8.380 nan 0.000 0.497 244 S N 1.965 117.677 115.700 0.020 0.000 2.563 244 S HA 0.048 4.518 4.470 -0.000 0.000 0.294 244 S C -1.312 173.297 174.600 0.016 0.000 1.279 244 S CA -0.983 57.228 58.200 0.019 0.000 1.069 244 S CB 1.016 64.227 63.200 0.019 0.000 0.828 244 S HN 0.056 nan 8.310 nan 0.000 0.497 245 P HA -0.053 nan 4.420 nan 0.000 0.219 245 P C 1.303 178.606 177.300 0.005 0.000 1.146 245 P CA 0.834 63.941 63.100 0.011 0.000 0.808 245 P CB 0.081 31.790 31.700 0.014 0.000 0.779 246 L N -1.466 119.759 121.223 0.004 0.000 2.191 246 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 246 L C 2.146 179.015 176.870 -0.001 0.000 1.103 246 L CA 1.002 55.839 54.840 -0.005 0.000 0.769 246 L CB -0.557 41.500 42.059 -0.003 0.000 0.908 246 L HN 0.013 nan 8.230 nan 0.000 0.438 247 L N -0.601 120.627 121.223 0.008 0.000 2.395 247 L HA -0.090 4.250 4.340 -0.000 0.000 0.218 247 L C 0.709 177.585 176.870 0.011 0.000 1.130 247 L CA 0.326 55.174 54.840 0.013 0.000 0.826 247 L CB -0.238 41.832 42.059 0.019 0.000 0.941 247 L HN 0.295 nan 8.230 nan 0.000 0.451 248 E N -0.601 119.603 120.200 0.006 0.000 2.328 248 E HA -0.309 4.041 4.350 -0.000 0.000 0.233 248 E C 0.776 177.383 176.600 0.012 0.000 1.219 248 E CA 0.246 56.649 56.400 0.005 0.000 0.717 248 E CB -1.483 28.215 29.700 -0.002 0.000 1.210 248 E HN 0.544 nan 8.360 nan 0.000 0.381 249 A N -0.063 122.766 122.820 0.016 0.000 2.715 249 A HA -0.344 3.975 4.320 -0.000 0.000 0.301 249 A C 1.628 179.229 177.584 0.028 0.000 1.515 249 A CA 1.492 53.542 52.037 0.022 0.000 0.816 249 A CB -2.011 17.001 19.000 0.020 0.000 1.004 249 A HN 1.029 nan 8.150 nan 0.000 0.483 250 S N -2.309 113.408 115.700 0.028 0.000 2.603 250 S HA 0.090 4.560 4.470 -0.000 0.000 0.220 250 S C 1.433 176.060 174.600 0.044 0.000 0.967 250 S CA 1.081 59.303 58.200 0.037 0.000 0.920 250 S CB -0.166 63.054 63.200 0.034 0.000 0.773 250 S HN 0.813 nan 8.310 nan 0.000 0.529 251 M N 2.420 122.044 119.600 0.041 0.000 2.108 251 M HA -0.064 4.416 4.480 -0.000 0.000 0.261 251 M C 1.906 178.242 176.300 0.060 0.000 1.066 251 M CA 1.632 56.959 55.300 0.045 0.000 1.107 251 M CB -0.821 31.802 32.600 0.039 0.000 1.356 251 M HN 0.405 nan 8.290 nan 0.000 0.406 252 E N -0.980 119.257 120.200 0.062 0.000 2.035 252 E HA -0.219 4.131 4.350 -0.000 0.000 0.204 252 E C 1.761 178.440 176.600 0.131 0.000 1.025 252 E CA 1.484 57.935 56.400 0.085 0.000 0.835 252 E CB -0.742 29.000 29.700 0.072 0.000 0.764 252 E HN 0.684 nan 8.360 nan 0.000 0.457 253 G N 0.285 109.143 108.800 0.097 0.000 2.744 253 G HA2 0.080 4.040 3.960 -0.000 0.000 0.211 253 G HA3 0.080 4.040 3.960 -0.000 0.000 0.211 253 G C 0.372 175.257 174.900 -0.026 0.000 1.143 253 G CA 0.378 45.510 45.100 0.055 0.000 0.788 253 G HN 0.336 nan 8.290 nan 0.000 0.534 254 A N 0.212 123.045 122.820 0.023 0.000 2.524 254 A HA 0.394 4.713 4.320 -0.000 0.000 0.250 254 A C 1.334 178.890 177.584 -0.046 0.000 1.078 254 A CA -0.023 52.014 52.037 0.000 0.000 0.761 254 A CB 0.491 19.508 19.000 0.028 0.000 1.012 254 A HN 0.198 nan 8.150 nan 0.000 0.500 255 Q N 1.415 121.157 119.800 -0.097 0.000 2.398 255 Q HA 0.120 4.460 4.340 -0.000 0.000 0.204 255 Q C 0.774 176.739 176.000 -0.059 0.000 0.932 255 Q CA 1.139 56.867 55.803 -0.125 0.000 0.916 255 Q CB 0.561 29.176 28.738 -0.204 0.000 1.024 255 Q HN 0.866 nan 8.270 nan 0.000 0.504 256 G N -0.085 108.695 108.800 -0.034 0.000 2.723 256 G HA2 0.540 4.500 3.960 -0.000 0.000 0.295 256 G HA3 0.540 4.500 3.960 -0.000 0.000 0.295 256 G C -1.340 173.562 174.900 0.003 0.000 1.464 256 G CA -0.242 44.846 45.100 -0.018 0.000 1.012 256 G HN -0.067 nan 8.290 nan 0.000 0.522 257 V N 2.949 122.873 119.914 0.017 0.000 2.531 257 V HA 0.518 4.638 4.120 -0.000 0.000 0.301 257 V C -0.498 175.621 176.094 0.041 0.000 1.034 257 V CA -0.792 61.528 62.300 0.033 0.000 0.865 257 V CB 1.723 33.574 31.823 0.047 0.000 0.995 257 V HN 0.696 nan 8.190 nan 0.000 0.424 258 L N 5.256 126.503 121.223 0.039 0.000 2.307 258 L HA 0.749 5.089 4.340 -0.000 0.000 0.284 258 L C -0.369 176.528 176.870 0.045 0.000 1.023 258 L CA -0.070 54.792 54.840 0.038 0.000 0.810 258 L CB 1.386 43.460 42.059 0.026 0.000 1.231 258 L HN 0.808 nan 8.230 nan 0.000 0.423 259 M N 4.163 123.790 119.600 0.045 0.000 2.327 259 M HA 0.550 5.030 4.480 -0.000 0.000 0.298 259 M C -1.480 174.730 176.300 -0.149 0.000 1.065 259 M CA -0.117 55.199 55.300 0.028 0.000 0.916 259 M CB 1.965 34.674 32.600 0.182 0.000 1.630 259 M HN 0.553 nan 8.290 nan 0.000 0.442 260 S N 5.016 120.633 115.700 -0.139 0.000 2.521 260 S HA 0.743 5.213 4.470 -0.000 0.000 0.295 260 S C -1.229 173.274 174.600 -0.162 0.000 1.098 260 S CA -0.709 57.360 58.200 -0.217 0.000 0.999 260 S CB 1.149 64.277 63.200 -0.119 0.000 1.034 260 S HN 0.735 nan 8.310 nan 0.000 0.483 261 I N 3.812 124.259 120.570 -0.204 0.000 2.382 261 I HA 0.511 4.681 4.170 -0.000 0.000 0.285 261 I C 0.153 176.230 176.117 -0.066 0.000 1.007 261 I CA -0.701 60.548 61.300 -0.086 0.000 1.142 261 I CB 1.497 39.474 38.000 -0.038 0.000 1.289 261 I HN 0.704 nan 8.210 nan 0.000 0.453 262 A N 4.834 127.633 122.820 -0.035 0.000 2.306 262 A HA 0.948 5.268 4.320 -0.000 0.000 0.314 262 A C 0.134 177.715 177.584 -0.005 0.000 1.164 262 A CA -0.268 51.755 52.037 -0.023 0.000 0.822 262 A CB 1.169 20.158 19.000 -0.018 0.000 1.130 262 A HN 0.869 nan 8.150 nan 0.000 0.496 263 G N -0.129 108.671 108.800 0.000 0.000 2.550 263 G HA2 0.611 4.571 3.960 -0.000 0.000 0.293 263 G HA3 0.611 4.571 3.960 -0.000 0.000 0.293 263 G C -0.034 174.873 174.900 0.011 0.000 1.402 263 G CA 0.043 45.150 45.100 0.011 0.000 0.784 263 G HN 1.241 nan 8.290 nan 0.000 0.482 264 G N -0.743 108.067 108.800 0.016 0.000 2.611 264 G HA2 0.407 4.367 3.960 -0.000 0.000 0.273 264 G HA3 0.407 4.367 3.960 -0.000 0.000 0.273 264 G C 1.242 176.153 174.900 0.018 0.000 1.305 264 G CA 0.780 45.889 45.100 0.016 0.000 1.010 264 G HN 0.920 nan 8.290 nan 0.000 0.509 265 S N 0.296 116.006 115.700 0.018 0.000 2.402 265 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 265 S C 1.888 176.502 174.600 0.024 0.000 1.021 265 S CA 1.359 59.571 58.200 0.019 0.000 0.974 265 S CB -0.184 63.026 63.200 0.017 0.000 0.800 265 S HN 0.816 nan 8.310 nan 0.000 0.484 266 D N 1.335 121.750 120.400 0.025 0.000 2.392 266 D HA -0.059 4.581 4.640 -0.000 0.000 0.228 266 D C 0.459 176.782 176.300 0.038 0.000 1.003 266 D CA -0.024 53.993 54.000 0.029 0.000 0.917 266 D CB -0.585 40.231 40.800 0.026 0.000 0.890 266 D HN 0.223 nan 8.370 nan 0.000 0.532 267 L N 1.817 123.064 121.223 0.040 0.000 2.654 267 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 267 L C 0.902 177.812 176.870 0.066 0.000 1.169 267 L CA 0.146 55.017 54.840 0.052 0.000 0.947 267 L CB 0.208 42.295 42.059 0.046 0.000 1.232 267 L HN 0.078 nan 8.230 nan 0.000 0.486 268 G N 4.144 112.993 108.800 0.082 0.000 2.432 268 G HA2 0.218 4.177 3.960 -0.000 0.000 0.257 268 G HA3 0.218 4.177 3.960 -0.000 0.000 0.257 268 G C 0.695 175.667 174.900 0.119 0.000 1.238 268 G CA -0.532 44.629 45.100 0.102 0.000 0.838 268 G HN 0.778 nan 8.290 nan 0.000 0.547 269 L N 2.855 124.149 121.223 0.118 0.000 2.079 269 L HA -0.051 4.288 4.340 -0.000 0.000 0.210 269 L C 2.245 179.187 176.870 0.119 0.000 1.081 269 L CA 1.730 56.637 54.840 0.111 0.000 0.752 269 L CB -0.643 41.476 42.059 0.100 0.000 0.896 269 L HN 0.658 nan 8.230 nan 0.000 0.433 270 F N 0.944 120.910 119.950 0.025 0.000 2.075 270 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 270 F C 2.513 178.323 175.800 0.017 0.000 1.113 270 F CA 2.047 60.055 58.000 0.015 0.000 1.218 270 F CB -0.412 38.594 39.000 0.011 0.000 0.984 270 F HN 0.420 nan 8.300 nan 0.000 0.472 271 E N 0.415 120.701 120.200 0.142 0.000 2.110 271 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 271 E C 2.281 178.872 176.600 -0.015 0.000 0.988 271 E CA 1.932 58.364 56.400 0.054 0.000 0.804 271 E CB -0.892 28.894 29.700 0.143 0.000 0.745 271 E HN 0.563 nan 8.360 nan 0.000 0.458 272 I N 1.570 122.164 120.570 0.039 0.000 2.179 272 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 272 I C 2.446 178.565 176.117 0.003 0.000 1.088 272 I CA 1.536 62.901 61.300 0.107 0.000 1.357 272 I CB -0.355 37.744 38.000 0.164 0.000 1.051 272 I HN 0.198 nan 8.210 nan 0.000 0.409 273 N N 0.744 119.366 118.700 -0.130 0.000 2.309 273 N HA -0.191 4.548 4.740 -0.000 0.000 0.182 273 N C 1.705 177.007 175.510 -0.347 0.000 1.018 273 N CA 1.237 54.125 53.050 -0.270 0.000 0.876 273 N CB 0.041 38.382 38.487 -0.243 0.000 0.972 273 N HN 0.308 nan 8.380 nan 0.000 0.434 274 E N -0.571 119.404 120.200 -0.374 0.000 2.106 274 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 274 E C 1.832 178.318 176.600 -0.190 0.000 0.984 274 E CA 0.945 57.152 56.400 -0.320 0.000 0.806 274 E CB -0.111 29.404 29.700 -0.308 0.000 0.750 274 E HN 0.479 nan 8.360 nan 0.000 0.458 275 A N 1.345 124.090 122.820 -0.126 0.000 1.898 275 A HA -0.082 4.237 4.320 -0.000 0.000 0.216 275 A C 2.363 179.868 177.584 -0.131 0.000 1.181 275 A CA 1.563 53.578 52.037 -0.038 0.000 0.620 275 A CB -0.542 18.521 19.000 0.106 0.000 0.819 275 A HN 0.292 nan 8.150 nan 0.000 0.442 276 A N -0.950 121.600 122.820 -0.450 0.000 1.930 276 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 276 A C 2.451 179.777 177.584 -0.430 0.000 1.175 276 A CA 2.046 53.558 52.037 -0.874 0.000 0.627 276 A CB -0.872 17.152 19.000 -1.626 0.000 0.815 276 A HN 0.513 nan 8.150 nan 0.000 0.443 277 S N -0.749 114.760 115.700 -0.319 0.000 2.368 277 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 277 S C 1.920 176.438 174.600 -0.137 0.000 1.030 277 S CA 1.532 59.609 58.200 -0.206 0.000 0.999 277 S CB -0.422 62.664 63.200 -0.191 0.000 0.844 277 S HN 0.552 nan 8.310 nan 0.000 0.459 278 L N 1.260 122.413 121.223 -0.117 0.000 2.072 278 L HA 0.120 4.460 4.340 -0.000 0.000 0.205 278 L C 2.334 179.179 176.870 -0.042 0.000 1.079 278 L CA 1.648 56.449 54.840 -0.065 0.000 0.752 278 L CB -0.877 41.155 42.059 -0.044 0.000 0.906 278 L HN 0.232 nan 8.230 nan 0.000 0.436 279 V N -0.475 119.416 119.914 -0.038 0.000 2.427 279 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 279 V C 2.457 178.542 176.094 -0.015 0.000 1.051 279 V CA 2.039 64.338 62.300 -0.001 0.000 1.048 279 V CB -0.230 31.624 31.823 0.052 0.000 0.666 279 V HN 0.692 nan 8.190 nan 0.000 0.456 280 Q N -0.691 119.078 119.800 -0.052 0.000 2.084 280 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 280 Q C 2.015 177.992 176.000 -0.039 0.000 0.978 280 Q CA 1.965 57.739 55.803 -0.048 0.000 0.844 280 Q CB -0.223 28.468 28.738 -0.078 0.000 0.898 280 Q HN 0.659 nan 8.270 nan 0.000 0.426 281 D N 0.419 120.792 120.400 -0.045 0.000 2.104 281 D HA -0.155 4.484 4.640 -0.000 0.000 0.194 281 D C 1.673 177.959 176.300 -0.023 0.000 0.994 281 D CA 1.499 55.477 54.000 -0.037 0.000 0.830 281 D CB -0.198 40.580 40.800 -0.037 0.000 0.959 281 D HN 0.267 nan 8.370 nan 0.000 0.452 282 A N 0.706 123.519 122.820 -0.012 0.000 1.968 282 A HA 0.255 4.575 4.320 -0.000 0.000 0.217 282 A C 1.454 179.047 177.584 0.016 0.000 1.169 282 A CA 1.025 53.063 52.037 0.002 0.000 0.638 282 A CB -0.455 18.550 19.000 0.009 0.000 0.812 282 A HN 0.252 nan 8.150 nan 0.000 0.446 283 A N -0.641 122.190 122.820 0.019 0.000 2.366 283 A HA 0.423 4.742 4.320 -0.000 0.000 0.249 283 A C 0.194 177.813 177.584 0.058 0.000 1.084 283 A CA -0.255 51.810 52.037 0.046 0.000 0.794 283 A CB -0.337 18.690 19.000 0.046 0.000 1.034 283 A HN 0.622 nan 8.150 nan 0.000 0.491 284 H N 1.322 120.388 119.070 -0.007 0.000 3.038 284 H HA 0.125 4.681 4.556 -0.000 0.000 0.338 284 H C -1.710 173.607 175.328 -0.019 0.000 1.041 284 H CA -0.106 55.934 56.048 -0.013 0.000 1.394 284 H CB 0.609 30.360 29.762 -0.017 0.000 1.357 284 H HN 0.334 nan 8.280 nan 0.000 0.600 285 P HA -0.189 nan 4.420 nan 0.000 0.216 285 P C 0.430 177.724 177.300 -0.009 0.000 1.154 285 P CA 1.653 64.640 63.100 -0.188 0.000 0.865 285 P CB 0.265 31.790 31.700 -0.293 0.000 0.789 286 D N -1.271 119.253 120.400 0.208 0.000 2.328 286 D HA 0.132 4.772 4.640 -0.000 0.000 0.226 286 D C 0.719 177.098 176.300 0.132 0.000 1.066 286 D CA 0.166 54.283 54.000 0.197 0.000 0.861 286 D CB -0.301 40.624 40.800 0.209 0.000 0.912 286 D HN 0.116 nan 8.370 nan 0.000 0.521 287 A N 0.795 123.702 122.820 0.145 0.000 2.425 287 A HA 0.166 4.486 4.320 -0.000 0.000 0.249 287 A C 0.334 177.934 177.584 0.027 0.000 1.084 287 A CA -0.273 51.802 52.037 0.063 0.000 0.781 287 A CB 0.004 19.051 19.000 0.077 0.000 1.019 287 A HN 0.036 nan 8.150 nan 0.000 0.490 288 N N 0.409 119.111 118.700 0.003 0.000 2.470 288 N HA 0.434 5.174 4.740 -0.000 0.000 0.268 288 N C -0.858 174.660 175.510 0.013 0.000 1.136 288 N CA 0.360 53.410 53.050 0.000 0.000 0.961 288 N CB 0.570 39.047 38.487 -0.016 0.000 1.067 288 N HN 0.566 nan 8.380 nan 0.000 0.468 289 I N 3.110 123.694 120.570 0.023 0.000 2.436 289 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 289 I C -0.816 175.341 176.117 0.066 0.000 1.010 289 I CA -0.781 60.548 61.300 0.048 0.000 1.098 289 I CB 1.440 39.472 38.000 0.052 0.000 1.266 289 I HN 0.256 nan 8.210 nan 0.000 0.434 290 I N 6.491 127.106 120.570 0.074 0.000 2.339 290 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 290 I C -0.718 175.478 176.117 0.131 0.000 0.994 290 I CA -0.678 60.669 61.300 0.077 0.000 1.191 290 I CB 1.140 39.154 38.000 0.023 0.000 1.343 290 I HN 0.383 nan 8.210 nan 0.000 0.458 291 F N 4.989 124.940 119.950 0.001 0.000 2.540 291 F HA 0.851 5.377 4.527 -0.000 0.000 0.317 291 F C -0.065 175.739 175.800 0.008 0.000 1.104 291 F CA -0.170 57.831 58.000 0.002 0.000 0.913 291 F CB 2.191 41.188 39.000 -0.005 0.000 1.170 291 F HN 0.507 nan 8.300 nan 0.000 0.450 292 G N 1.829 110.060 108.800 -0.949 0.000 2.601 292 G HA2 0.522 4.482 3.960 -0.000 0.000 0.291 292 G HA3 0.522 4.482 3.960 -0.000 0.000 0.291 292 G C -1.595 172.940 174.900 -0.610 0.000 1.456 292 G CA -0.393 44.374 45.100 -0.555 0.000 0.804 292 G HN 0.830 nan 8.290 nan 0.000 0.499 293 T N -2.492 111.885 114.554 -0.295 0.000 2.930 293 T HA 0.799 5.149 4.350 -0.000 0.000 0.290 293 T C -0.854 173.787 174.700 -0.097 0.000 1.052 293 T CA -0.836 61.152 62.100 -0.186 0.000 1.017 293 T CB 1.983 70.799 68.868 -0.085 0.000 1.137 293 T HN 0.829 nan 8.240 nan 0.000 0.511 294 V N 1.737 121.611 119.914 -0.068 0.000 2.735 294 V HA 0.490 4.610 4.120 -0.000 0.000 0.310 294 V C -0.317 175.766 176.094 -0.019 0.000 1.061 294 V CA -1.051 61.226 62.300 -0.038 0.000 0.913 294 V CB 1.864 33.665 31.823 -0.037 0.000 1.005 294 V HN 0.888 nan 8.190 nan 0.000 0.428 295 I N 3.742 124.307 120.570 -0.009 0.000 2.304 295 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 295 I C -0.721 175.396 176.117 0.001 0.000 1.018 295 I CA 0.140 61.440 61.300 -0.000 0.000 1.260 295 I CB 1.094 39.097 38.000 0.005 0.000 1.390 295 I HN 0.589 nan 8.210 nan 0.000 0.475 296 D N 6.024 126.425 120.400 0.003 0.000 2.346 296 D HA 0.126 4.765 4.640 -0.000 0.000 0.255 296 D C 0.268 176.572 176.300 0.007 0.000 1.276 296 D CA -0.346 53.656 54.000 0.004 0.000 0.941 296 D CB 0.909 41.711 40.800 0.002 0.000 1.199 296 D HN 0.367 nan 8.370 nan 0.000 0.537 297 D N 0.880 121.285 120.400 0.008 0.000 2.392 297 D HA -0.108 4.532 4.640 -0.000 0.000 0.228 297 D C 1.624 177.930 176.300 0.009 0.000 1.003 297 D CA 0.520 54.526 54.000 0.009 0.000 0.917 297 D CB 0.372 41.177 40.800 0.009 0.000 0.890 297 D HN 0.438 nan 8.370 nan 0.000 0.532 298 S N -0.632 115.073 115.700 0.008 0.000 2.528 298 S HA 0.037 4.507 4.470 -0.000 0.000 0.219 298 S C 1.958 176.564 174.600 0.009 0.000 0.985 298 S CA -0.080 58.125 58.200 0.008 0.000 0.914 298 S CB -0.183 63.022 63.200 0.008 0.000 0.776 298 S HN 0.210 nan 8.310 nan 0.000 0.526 299 L N 1.063 122.292 121.223 0.009 0.000 2.395 299 L HA 0.230 4.570 4.340 -0.000 0.000 0.218 299 L C 2.089 178.967 176.870 0.012 0.000 1.130 299 L CA 0.471 55.317 54.840 0.010 0.000 0.826 299 L CB -1.274 40.791 42.059 0.010 0.000 0.941 299 L HN 0.643 nan 8.230 nan 0.000 0.451 300 G N 0.974 109.782 108.800 0.012 0.000 2.543 300 G HA2 -0.461 3.498 3.960 -0.000 0.000 0.286 300 G HA3 -0.461 3.498 3.960 -0.000 0.000 0.286 300 G C 0.506 175.415 174.900 0.015 0.000 1.153 300 G CA 0.499 45.607 45.100 0.013 0.000 0.968 300 G HN 0.340 nan 8.290 nan 0.000 0.544 301 D N 1.595 122.005 120.400 0.016 0.000 2.339 301 D HA 0.149 4.789 4.640 -0.000 0.000 0.217 301 D C 0.922 177.234 176.300 0.020 0.000 1.050 301 D CA 0.932 54.943 54.000 0.018 0.000 0.856 301 D CB 0.018 40.828 40.800 0.017 0.000 0.922 301 D HN 0.528 nan 8.370 nan 0.000 0.518 302 E N -0.218 119.993 120.200 0.018 0.000 2.343 302 E HA 0.305 4.655 4.350 -0.000 0.000 0.269 302 E C -1.038 175.574 176.600 0.020 0.000 1.047 302 E CA -0.423 55.988 56.400 0.019 0.000 0.874 302 E CB 1.354 31.064 29.700 0.016 0.000 1.033 302 E HN -0.159 nan 8.360 nan 0.000 0.409 303 V N 4.728 124.655 119.914 0.022 0.000 2.487 303 V HA 0.383 4.503 4.120 -0.000 0.000 0.298 303 V C -0.574 175.531 176.094 0.019 0.000 1.028 303 V CA -0.657 61.656 62.300 0.022 0.000 0.860 303 V CB 1.737 33.579 31.823 0.031 0.000 0.991 303 V HN 0.653 nan 8.190 nan 0.000 0.427 304 R N 3.616 124.123 120.500 0.012 0.000 2.343 304 R HA 0.730 5.070 4.340 -0.000 0.000 0.320 304 R C -1.190 175.113 176.300 0.006 0.000 0.956 304 R CA -0.593 55.513 56.100 0.010 0.000 0.836 304 R CB 2.072 32.376 30.300 0.007 0.000 1.151 304 R HN 0.478 nan 8.270 nan 0.000 0.450 305 V N 2.275 122.197 119.914 0.013 0.000 2.547 305 V HA 0.458 4.577 4.120 -0.000 0.000 0.299 305 V C 0.058 176.158 176.094 0.011 0.000 1.040 305 V CA -0.464 61.844 62.300 0.013 0.000 0.913 305 V CB 2.097 33.940 31.823 0.035 0.000 0.992 305 V HN 0.764 nan 8.190 nan 0.000 0.449 306 T N 3.291 117.847 114.554 0.004 0.000 2.881 306 T HA 0.596 4.946 4.350 -0.000 0.000 0.290 306 T C -0.837 173.874 174.700 0.018 0.000 1.000 306 T CA -0.371 61.735 62.100 0.010 0.000 0.978 306 T CB 1.716 70.585 68.868 0.002 0.000 0.997 306 T HN 0.348 nan 8.240 nan 0.000 0.443 307 V N 4.802 124.733 119.914 0.029 0.000 2.487 307 V HA 0.520 4.639 4.120 -0.000 0.000 0.298 307 V C -0.657 175.458 176.094 0.036 0.000 1.028 307 V CA -0.902 61.420 62.300 0.038 0.000 0.860 307 V CB 1.714 33.564 31.823 0.045 0.000 0.991 307 V HN 0.737 nan 8.190 nan 0.000 0.427 308 I N 4.188 124.781 120.570 0.038 0.000 2.339 308 I HA 0.642 4.812 4.170 -0.000 0.000 0.290 308 I C 0.350 176.488 176.117 0.035 0.000 0.994 308 I CA -0.372 60.951 61.300 0.038 0.000 1.191 308 I CB 1.563 39.589 38.000 0.044 0.000 1.343 308 I HN 0.681 nan 8.210 nan 0.000 0.458 309 A N 5.790 128.629 122.820 0.032 0.000 2.273 309 A HA 0.846 5.166 4.320 -0.000 0.000 0.315 309 A C -0.175 177.426 177.584 0.028 0.000 1.256 309 A CA -0.461 51.594 52.037 0.030 0.000 0.851 309 A CB 0.971 19.991 19.000 0.034 0.000 1.172 309 A HN 0.811 nan 8.150 nan 0.000 0.508 310 A N 2.105 124.937 122.820 0.020 0.000 2.350 310 A HA 0.970 5.289 4.320 -0.000 0.000 0.324 310 A C 0.602 178.197 177.584 0.019 0.000 1.118 310 A CA 0.163 52.212 52.037 0.020 0.000 0.783 310 A CB 0.855 19.859 19.000 0.007 0.000 1.236 310 A HN 2.835 nan 8.150 nan 0.000 0.457 311 G N -0.236 108.599 108.800 0.058 0.000 2.627 311 G HA2 0.407 4.367 3.960 -0.000 0.000 0.214 311 G HA3 0.407 4.367 3.960 -0.000 0.000 0.214 311 G C -0.535 174.461 174.900 0.159 0.000 1.331 311 G CA 0.116 45.260 45.100 0.073 0.000 0.891 311 G HN 2.422 nan 8.290 nan 0.000 0.539 312 F N -2.784 117.118 119.950 -0.081 0.000 2.713 312 F HA 0.787 5.314 4.527 -0.000 0.000 0.311 312 F C -0.190 175.525 175.800 -0.142 0.000 1.141 312 F CA 0.034 57.980 58.000 -0.090 0.000 0.939 312 F CB 0.359 39.325 39.000 -0.057 0.000 1.325 312 F HN 1.283 nan 8.300 nan 0.000 0.453 313 D N 0.000 120.341 120.400 -0.099 0.000 6.856 313 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 313 D CA 0.000 53.873 54.000 -0.212 0.000 0.868 313 D CB 0.000 40.726 40.800 -0.124 0.000 0.688 313 D HN 0.000 nan 8.370 nan 0.000 0.683