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 2eiv_1_L DATA FIRST_RESID 2 DATA SEQUENCE ERVAVVGVPM DLXXXXXGVD MGPSALRYAR LLEQLEDLGY TVEDLGDVPV DATA SEQUENCE SXXXXXXXXX XXLAYLEEIR AAALVLKERL AALPEGVFPI VLGGDHSLSM DATA SEQUENCE GSVAGAARGR RVGVVWVDAH ADFNTPETSX SGNVHGMPLA VLSGLGHPRL DATA SEQUENCE TEVFRAVDPK DVVLVGVRSL DPGEKRLLKE AGVRVYTMHE VDRLGVARIA DATA SEQUENCE EEVLKHLQGL PLHVSLDADV LDPTLAPGVG TPVPGGLTYR EAHLLMEILA DATA SEQUENCE ESGRVQSLDL VEVNPILDER NRTAEMLVGL ALSLLGKRIF 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.787 176.600 0.311 0.000 1.382 2 E CA 0.000 56.524 56.400 0.207 0.000 0.976 2 E CB 0.000 29.744 29.700 0.073 0.000 0.812 3 R N 1.248 121.900 120.500 0.254 0.000 2.562 3 R HA 0.760 5.100 4.340 0.000 0.000 0.298 3 R C -1.267 175.114 176.300 0.134 0.000 0.961 3 R CA -0.744 55.458 56.100 0.170 0.000 0.881 3 R CB 3.005 33.372 30.300 0.113 0.000 1.159 3 R HN -0.098 nan 8.270 nan 0.000 0.450 4 V N 1.600 121.552 119.914 0.063 0.000 2.709 4 V HA 0.685 4.805 4.120 0.000 0.000 0.308 4 V C -0.755 175.357 176.094 0.030 0.000 1.062 4 V CA -0.781 61.529 62.300 0.016 0.000 0.901 4 V CB 2.060 33.780 31.823 -0.173 0.000 1.003 4 V HN 0.934 nan 8.190 nan 0.000 0.425 5 A N 4.268 127.120 122.820 0.054 0.000 2.304 5 A HA 0.850 5.170 4.320 0.000 0.000 0.323 5 A C -1.001 176.602 177.584 0.032 0.000 1.195 5 A CA -0.525 51.534 52.037 0.037 0.000 0.826 5 A CB 1.555 20.577 19.000 0.036 0.000 1.184 5 A HN 0.702 nan 8.150 nan 0.000 0.496 6 V N 3.361 123.285 119.914 0.017 0.000 2.443 6 V HA 0.538 4.658 4.120 0.000 0.000 0.293 6 V C -0.849 175.252 176.094 0.011 0.000 1.021 6 V CA -0.401 61.905 62.300 0.010 0.000 0.848 6 V CB 1.594 33.413 31.823 -0.006 0.000 0.998 6 V HN 0.903 nan 8.190 nan 0.000 0.424 7 V N 5.914 125.837 119.914 0.015 0.000 2.577 7 V HA 0.910 5.030 4.120 0.000 0.000 0.303 7 V C 0.352 176.454 176.094 0.013 0.000 1.042 7 V CA 0.184 62.493 62.300 0.016 0.000 0.872 7 V CB 1.787 33.622 31.823 0.021 0.000 0.998 7 V HN 0.887 nan 8.190 nan 0.000 0.423 8 G N 4.121 112.928 108.800 0.011 0.000 2.476 8 G HA2 0.555 4.515 3.960 0.000 0.000 0.286 8 G HA3 0.555 4.515 3.960 0.000 0.000 0.286 8 G C -0.788 174.117 174.900 0.009 0.000 1.177 8 G CA -0.387 44.718 45.100 0.008 0.000 0.870 8 G HN 1.076 nan 8.290 nan 0.000 0.528 9 V N 2.371 122.286 119.914 0.003 0.000 2.462 9 V HA 0.232 4.352 4.120 0.000 0.000 0.257 9 V C -2.125 173.964 176.094 -0.009 0.000 0.944 9 V CA -1.125 61.175 62.300 0.001 0.000 0.903 9 V CB 1.433 33.257 31.823 0.001 0.000 1.128 9 V HN 0.701 nan 8.190 nan 0.000 0.486 10 P HA 0.130 nan 4.420 nan 0.000 0.252 10 P C -0.343 176.942 177.300 -0.024 0.000 1.694 10 P CA 0.257 63.348 63.100 -0.015 0.000 1.163 10 P CB 0.396 32.093 31.700 -0.006 0.000 1.934 11 M N 1.954 121.533 119.600 -0.034 0.000 2.664 11 M HA 0.679 5.160 4.480 0.000 0.000 0.314 11 M C -1.437 174.819 176.300 -0.072 0.000 1.200 11 M CA -0.350 54.921 55.300 -0.047 0.000 0.916 11 M CB 2.492 35.070 32.600 -0.036 0.000 1.717 11 M HN -0.145 nan 8.290 nan 0.000 0.470 12 D N 3.112 123.451 120.400 -0.103 0.000 2.484 12 D HA 0.398 5.038 4.640 0.000 0.000 0.223 12 D C -2.320 173.862 176.300 -0.197 0.000 1.350 12 D CA -0.138 53.783 54.000 -0.131 0.000 0.940 12 D CB 0.400 41.132 40.800 -0.114 0.000 1.525 12 D HN 0.630 nan 8.370 nan 0.000 0.504 20 V N -0.671 119.197 119.914 -0.076 0.000 2.867 20 V HA -0.012 4.108 4.120 0.000 0.000 0.260 20 V C 1.867 177.921 176.094 -0.067 0.000 1.099 20 V CA 1.722 63.974 62.300 -0.080 0.000 1.122 20 V CB -0.286 31.470 31.823 -0.112 0.000 0.708 20 V HN 0.421 nan 8.190 nan 0.000 0.490 21 D N -0.279 120.084 120.400 -0.062 0.000 2.355 21 D HA -0.058 4.582 4.640 0.000 0.000 0.253 21 D C 1.262 177.541 176.300 -0.035 0.000 1.187 21 D CA 0.519 54.490 54.000 -0.048 0.000 0.900 21 D CB 0.091 40.862 40.800 -0.049 0.000 0.915 21 D HN 0.532 nan 8.370 nan 0.000 0.516 22 M N -1.077 118.501 119.600 -0.036 0.000 2.279 22 M HA 0.243 4.723 4.480 0.000 0.000 0.306 22 M C 1.967 178.256 176.300 -0.019 0.000 0.965 22 M CA 0.052 55.335 55.300 -0.029 0.000 1.038 22 M CB 1.320 33.894 32.600 -0.042 0.000 1.636 22 M HN 0.060 nan 8.290 nan 0.000 0.574 23 G N 2.512 111.296 108.800 -0.026 0.000 2.529 23 G HA2 -0.199 3.761 3.960 0.000 0.000 0.219 23 G HA3 -0.199 3.761 3.960 0.000 0.000 0.219 23 G C -1.127 173.775 174.900 0.003 0.000 1.177 23 G CA 1.066 46.153 45.100 -0.021 0.000 0.773 23 G HN 0.266 nan 8.290 nan 0.000 0.573 24 P HA -0.129 nan 4.420 nan 0.000 0.214 24 P C 2.398 179.741 177.300 0.072 0.000 1.169 24 P CA 2.266 65.381 63.100 0.025 0.000 0.908 24 P CB -0.261 31.450 31.700 0.019 0.000 0.791 25 S N -0.315 115.445 115.700 0.100 0.000 2.359 25 S HA -0.260 4.210 4.470 0.000 0.000 0.223 25 S C 2.074 176.883 174.600 0.349 0.000 1.039 25 S CA 1.704 60.046 58.200 0.237 0.000 1.042 25 S CB -1.418 61.865 63.200 0.138 0.000 0.915 25 S HN 0.191 nan 8.310 nan 0.000 0.439 26 A N 1.580 124.485 122.820 0.142 0.000 1.873 26 A HA -0.100 4.220 4.320 0.000 0.000 0.218 26 A C 2.192 179.857 177.584 0.135 0.000 1.193 26 A CA 1.597 53.701 52.037 0.112 0.000 0.629 26 A CB -0.939 18.075 19.000 0.023 0.000 0.826 26 A HN 0.460 nan 8.150 nan 0.000 0.447 27 L N -1.277 119.992 121.223 0.077 0.000 2.131 27 L HA -0.189 4.151 4.340 0.000 0.000 0.210 27 L C 2.876 179.770 176.870 0.039 0.000 1.092 27 L CA 1.381 56.246 54.840 0.042 0.000 0.759 27 L CB -0.428 41.636 42.059 0.009 0.000 0.903 27 L HN 0.369 nan 8.230 nan 0.000 0.435 28 R N -1.186 119.346 120.500 0.053 0.000 2.073 28 R HA -0.119 4.221 4.340 0.000 0.000 0.229 28 R C 2.234 178.468 176.300 -0.111 0.000 1.120 28 R CA 1.229 57.306 56.100 -0.039 0.000 0.967 28 R CB -0.393 29.863 30.300 -0.072 0.000 0.862 28 R HN 0.263 nan 8.270 nan 0.000 0.436 29 Y N 0.572 120.867 120.300 -0.009 0.000 2.403 29 Y HA -0.114 4.437 4.550 0.001 0.000 0.291 29 Y C 1.943 177.840 175.900 -0.005 0.000 1.143 29 Y CA 0.885 58.981 58.100 -0.006 0.000 1.257 29 Y CB 0.009 38.464 38.460 -0.007 0.000 0.984 29 Y HN 0.102 nan 8.280 nan 0.000 0.550 30 A N 0.231 123.106 122.820 0.091 0.000 2.412 30 A HA 0.171 4.491 4.320 0.000 0.000 0.253 30 A C 0.749 178.343 177.584 0.016 0.000 1.334 30 A CA -0.274 51.795 52.037 0.054 0.000 0.929 30 A CB -0.828 18.201 19.000 0.048 0.000 0.983 30 A HN 0.448 nan 8.150 nan 0.000 0.508 31 R N -1.876 118.616 120.500 -0.014 0.000 3.322 31 R HA -0.224 4.117 4.340 0.000 0.000 0.253 31 R C 0.922 177.208 176.300 -0.023 0.000 0.987 31 R CA 0.579 56.660 56.100 -0.032 0.000 0.666 31 R CB -2.052 28.238 30.300 -0.017 0.000 1.072 31 R HN 0.570 nan 8.270 nan 0.000 0.447 32 L N 0.003 121.210 121.223 -0.027 0.000 2.012 32 L HA -0.118 4.222 4.340 0.000 0.000 0.210 32 L C 1.720 178.572 176.870 -0.031 0.000 1.073 32 L CA 1.949 56.774 54.840 -0.026 0.000 0.748 32 L CB -0.140 41.901 42.059 -0.030 0.000 0.891 32 L HN 0.452 nan 8.230 nan 0.000 0.431 33 L N -0.871 120.330 121.223 -0.037 0.000 2.492 33 L HA -0.010 4.330 4.340 0.000 0.000 0.223 33 L C 2.135 178.996 176.870 -0.016 0.000 1.132 33 L CA 0.315 55.138 54.840 -0.030 0.000 0.850 33 L CB -0.234 41.804 42.059 -0.034 0.000 0.966 33 L HN 0.246 nan 8.230 nan 0.000 0.454 34 E N -0.633 119.557 120.200 -0.017 0.000 2.102 34 E HA -0.105 4.245 4.350 0.000 0.000 0.190 34 E C 2.115 178.720 176.600 0.007 0.000 0.971 34 E CA 0.700 57.095 56.400 -0.007 0.000 0.821 34 E CB -0.060 29.632 29.700 -0.014 0.000 0.777 34 E HN 0.378 nan 8.360 nan 0.000 0.460 35 Q N 0.189 119.993 119.800 0.006 0.000 2.124 35 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 35 Q C 2.156 178.178 176.000 0.037 0.000 0.977 35 Q CA 0.875 56.689 55.803 0.018 0.000 0.850 35 Q CB -0.130 28.617 28.738 0.015 0.000 0.901 35 Q HN 0.288 nan 8.270 nan 0.000 0.429 36 L N 0.705 121.945 121.223 0.029 0.000 2.131 36 L HA -0.202 4.138 4.340 0.000 0.000 0.210 36 L C 2.130 179.093 176.870 0.154 0.000 1.092 36 L CA 1.160 56.037 54.840 0.063 0.000 0.759 36 L CB -0.379 41.659 42.059 -0.036 0.000 0.903 36 L HN 0.327 nan 8.230 nan 0.000 0.435 37 E N 0.003 120.255 120.200 0.087 0.000 2.008 37 E HA -0.189 4.161 4.350 0.000 0.000 0.191 37 E C 1.629 178.262 176.600 0.056 0.000 0.986 37 E CA 1.116 57.564 56.400 0.080 0.000 0.807 37 E CB -0.182 29.543 29.700 0.041 0.000 0.766 37 E HN 0.396 nan 8.360 nan 0.000 0.450 38 D N 0.938 121.360 120.400 0.036 0.000 2.280 38 D HA -0.173 4.467 4.640 0.000 0.000 0.206 38 D C 1.624 177.934 176.300 0.016 0.000 0.988 38 D CA 0.776 54.788 54.000 0.020 0.000 0.886 38 D CB -0.107 40.703 40.800 0.016 0.000 0.914 38 D HN 0.084 nan 8.370 nan 0.000 0.473 39 L N -1.133 120.113 121.223 0.038 0.000 2.653 39 L HA 0.354 4.694 4.340 0.000 0.000 0.231 39 L C 0.974 177.810 176.870 -0.056 0.000 1.153 39 L CA 0.643 55.495 54.840 0.021 0.000 0.933 39 L CB 0.091 42.196 42.059 0.076 0.000 1.175 39 L HN 0.094 nan 8.230 nan 0.000 0.473 40 G N -0.855 107.910 108.800 -0.059 0.000 2.270 40 G HA2 -0.280 3.680 3.960 0.000 0.000 0.224 40 G HA3 -0.280 3.680 3.960 0.000 0.000 0.224 40 G C -0.435 174.293 174.900 -0.287 0.000 1.079 40 G CA 0.127 45.124 45.100 -0.171 0.000 0.807 40 G HN 0.344 nan 8.290 nan 0.000 0.492 41 Y N -0.402 119.886 120.300 -0.020 0.000 2.570 41 Y HA 0.671 5.221 4.550 0.000 0.000 0.345 41 Y C 0.833 176.729 175.900 -0.007 0.000 1.014 41 Y CA -0.255 57.836 58.100 -0.016 0.000 1.063 41 Y CB 2.023 40.467 38.460 -0.027 0.000 1.272 41 Y HN 0.303 nan 8.280 nan 0.000 0.477 42 T N 0.364 115.033 114.554 0.193 0.000 2.733 42 T HA 0.609 4.959 4.350 0.000 0.000 0.294 42 T C -0.707 174.057 174.700 0.105 0.000 0.956 42 T CA -0.748 61.417 62.100 0.107 0.000 0.987 42 T CB -0.137 68.778 68.868 0.078 0.000 0.920 42 T HN 0.385 nan 8.240 nan 0.000 0.470 43 V N 1.761 121.717 119.914 0.070 0.000 2.435 43 V HA 0.600 4.720 4.120 0.000 0.000 0.290 43 V C 0.010 176.118 176.094 0.023 0.000 1.030 43 V CA -1.035 61.288 62.300 0.037 0.000 0.881 43 V CB 1.249 33.082 31.823 0.016 0.000 0.983 43 V HN 0.998 nan 8.190 nan 0.000 0.445 44 E N 2.594 122.807 120.200 0.020 0.000 2.145 44 E HA 0.344 4.694 4.350 0.000 0.000 0.270 44 E C -1.291 175.315 176.600 0.010 0.000 0.906 44 E CA -0.554 55.856 56.400 0.017 0.000 0.761 44 E CB 1.360 31.074 29.700 0.024 0.000 1.116 44 E HN 0.808 nan 8.360 nan 0.000 0.408 45 D N 4.684 125.086 120.400 0.004 0.000 2.232 45 D HA 0.148 4.788 4.640 0.000 0.000 0.242 45 D C 0.506 176.809 176.300 0.006 0.000 1.093 45 D CA -0.292 53.709 54.000 0.001 0.000 0.845 45 D CB 1.250 42.046 40.800 -0.008 0.000 1.124 45 D HN 0.578 nan 8.370 nan 0.000 0.467 46 L N 2.937 124.166 121.223 0.009 0.000 2.607 46 L HA 0.304 4.644 4.340 0.000 0.000 0.228 46 L C 1.549 178.427 176.870 0.012 0.000 1.123 46 L CA 0.103 54.951 54.840 0.012 0.000 0.890 46 L CB -0.615 41.454 42.059 0.016 0.000 1.103 46 L HN 0.675 nan 8.230 nan 0.000 0.468 47 G N 0.798 109.604 108.800 0.010 0.000 2.488 47 G HA2 -0.212 3.748 3.960 0.000 0.000 0.237 47 G HA3 -0.212 3.748 3.960 0.000 0.000 0.237 47 G C -1.037 173.872 174.900 0.014 0.000 1.209 47 G CA -0.410 44.697 45.100 0.012 0.000 0.929 47 G HN 0.216 nan 8.290 nan 0.000 0.578 48 D N -0.560 119.850 120.400 0.016 0.000 2.738 48 D HA 0.546 5.186 4.640 0.000 0.000 0.237 48 D C 0.151 176.462 176.300 0.019 0.000 1.123 48 D CA -0.326 53.684 54.000 0.017 0.000 0.856 48 D CB 2.043 42.852 40.800 0.016 0.000 1.552 48 D HN 0.453 nan 8.370 nan 0.000 0.480 49 V N 3.562 123.488 119.914 0.020 0.000 2.540 49 V HA 0.141 4.261 4.120 0.000 0.000 0.297 49 V C -1.891 174.216 176.094 0.022 0.000 1.024 49 V CA -0.651 61.664 62.300 0.024 0.000 1.105 49 V CB 0.534 32.373 31.823 0.026 0.000 0.938 49 V HN 0.410 nan 8.190 nan 0.000 0.482 50 P HA 0.393 nan 4.420 nan 0.000 0.277 50 P C -1.233 176.083 177.300 0.026 0.000 1.240 50 P CA -0.189 62.925 63.100 0.023 0.000 0.798 50 P CB 0.899 32.614 31.700 0.024 0.000 0.979 51 V N -1.396 118.532 119.914 0.022 0.000 2.686 51 V HA 0.882 5.003 4.120 0.000 0.000 0.306 51 V C -0.063 176.047 176.094 0.028 0.000 1.065 51 V CA -0.566 61.748 62.300 0.023 0.000 0.894 51 V CB 0.750 32.578 31.823 0.008 0.000 1.004 51 V HN 0.710 nan 8.190 nan 0.000 0.424 65 A N 0.550 123.375 122.820 0.009 0.000 2.589 65 A HA 0.019 4.339 4.320 0.000 0.000 0.259 65 A C 0.306 178.030 177.584 0.233 0.000 1.000 65 A CA 1.353 53.461 52.037 0.117 0.000 0.847 65 A CB -1.568 17.536 19.000 0.174 0.000 0.885 65 A HN 0.692 nan 8.150 nan 0.000 0.508 66 Y N -0.182 120.101 120.300 -0.029 0.000 4.861 66 Y HA -0.377 4.173 4.550 0.000 0.000 0.239 66 Y C 1.603 177.488 175.900 -0.024 0.000 0.985 66 Y CA 1.050 59.139 58.100 -0.018 0.000 1.970 66 Y CB -1.977 36.483 38.460 -0.000 0.000 1.490 66 Y HN 0.712 nan 8.280 nan 0.000 0.521 67 L N 0.413 121.685 121.223 0.083 0.000 2.318 67 L HA -0.458 3.883 4.340 0.000 0.000 0.227 67 L C 2.276 179.181 176.870 0.058 0.000 1.110 67 L CA 2.484 57.332 54.840 0.014 0.000 0.840 67 L CB -0.203 41.781 42.059 -0.125 0.000 0.913 67 L HN 0.341 nan 8.230 nan 0.000 0.451 68 E N -0.320 119.917 120.200 0.062 0.000 2.072 68 E HA -0.202 4.148 4.350 0.000 0.000 0.190 68 E C 2.059 178.722 176.600 0.105 0.000 0.982 68 E CA 1.518 57.965 56.400 0.079 0.000 0.803 68 E CB -0.186 29.545 29.700 0.052 0.000 0.755 68 E HN 0.640 nan 8.360 nan 0.000 0.453 69 E N 0.842 121.119 120.200 0.129 0.000 2.077 69 E HA -0.134 4.217 4.350 0.000 0.000 0.193 69 E C 2.105 178.767 176.600 0.104 0.000 0.989 69 E CA 0.561 57.040 56.400 0.132 0.000 0.800 69 E CB -0.158 29.660 29.700 0.197 0.000 0.746 69 E HN 0.158 nan 8.360 nan 0.000 0.452 70 I N 0.752 121.381 120.570 0.098 0.000 2.076 70 I HA -0.304 3.866 4.170 0.000 0.000 0.237 70 I C 2.471 178.630 176.117 0.071 0.000 1.059 70 I CA 1.524 62.853 61.300 0.049 0.000 1.317 70 I CB -1.085 36.932 38.000 0.030 0.000 1.037 70 I HN 0.156 nan 8.210 nan 0.000 0.398 71 R N 0.913 121.500 120.500 0.144 0.000 2.119 71 R HA -0.227 4.114 4.340 0.000 0.000 0.246 71 R C 2.316 178.793 176.300 0.295 0.000 1.146 71 R CA 2.066 58.358 56.100 0.320 0.000 0.962 71 R CB -0.215 30.258 30.300 0.288 0.000 0.863 71 R HN 0.398 nan 8.270 nan 0.000 0.442 72 A N 0.254 123.175 122.820 0.168 0.000 1.902 72 A HA -0.106 4.214 4.320 0.000 0.000 0.217 72 A C 2.305 179.959 177.584 0.118 0.000 1.181 72 A CA 1.783 53.896 52.037 0.127 0.000 0.623 72 A CB -0.689 18.365 19.000 0.091 0.000 0.818 72 A HN 0.568 nan 8.150 nan 0.000 0.443 73 A N -0.457 122.421 122.820 0.096 0.000 1.874 73 A HA 0.335 4.655 4.320 0.000 0.000 0.214 73 A C 2.504 180.135 177.584 0.079 0.000 1.189 73 A CA 1.627 53.705 52.037 0.069 0.000 0.615 73 A CB -1.042 17.981 19.000 0.037 0.000 0.830 73 A HN 1.028 nan 8.150 nan 0.000 0.443 74 A N -0.318 122.539 122.820 0.063 0.000 1.940 74 A HA -0.104 4.216 4.320 0.000 0.000 0.219 74 A C 2.112 179.852 177.584 0.260 0.000 1.176 74 A CA 1.886 53.922 52.037 -0.002 0.000 0.631 74 A CB -0.599 18.140 19.000 -0.434 0.000 0.814 74 A HN 0.644 nan 8.150 nan 0.000 0.446 75 L N -0.302 121.175 121.223 0.424 0.000 2.056 75 L HA -0.053 4.287 4.340 0.000 0.000 0.207 75 L C 2.397 179.370 176.870 0.172 0.000 1.078 75 L CA 1.724 56.768 54.840 0.341 0.000 0.749 75 L CB -0.731 41.449 42.059 0.202 0.000 0.901 75 L HN 0.141 nan 8.230 nan 0.000 0.433 76 V N -0.443 119.547 119.914 0.128 0.000 2.332 76 V HA -0.276 3.844 4.120 0.000 0.000 0.248 76 V C 2.534 178.673 176.094 0.075 0.000 1.055 76 V CA 1.799 64.148 62.300 0.081 0.000 1.038 76 V CB -0.505 31.357 31.823 0.064 0.000 0.651 76 V HN 0.510 nan 8.190 nan 0.000 0.450 77 L N 0.383 121.655 121.223 0.083 0.000 2.005 77 L HA -0.158 4.182 4.340 0.000 0.000 0.207 77 L C 2.471 179.389 176.870 0.079 0.000 1.072 77 L CA 2.466 57.346 54.840 0.067 0.000 0.744 77 L CB -0.816 41.275 42.059 0.055 0.000 0.895 77 L HN 0.315 nan 8.230 nan 0.000 0.433 78 K N -0.291 120.182 120.400 0.122 0.000 2.000 78 K HA -0.289 4.031 4.320 0.000 0.000 0.218 78 K C 1.858 178.504 176.600 0.076 0.000 1.053 78 K CA 2.391 58.753 56.287 0.125 0.000 0.946 78 K CB -0.374 32.248 32.500 0.203 0.000 0.723 78 K HN 0.499 nan 8.250 nan 0.000 0.446 79 E N -0.063 120.178 120.200 0.067 0.000 2.012 79 E HA -0.292 4.059 4.350 0.000 0.000 0.211 79 E C 2.116 178.738 176.600 0.037 0.000 1.029 79 E CA 1.802 58.227 56.400 0.042 0.000 0.867 79 E CB -0.259 29.462 29.700 0.036 0.000 0.790 79 E HN 0.250 nan 8.360 nan 0.000 0.482 80 R N 0.709 121.232 120.500 0.038 0.000 2.234 80 R HA -0.242 4.098 4.340 0.000 0.000 0.262 80 R C 2.129 178.446 176.300 0.029 0.000 1.150 80 R CA 1.641 57.760 56.100 0.032 0.000 0.981 80 R CB -0.539 29.782 30.300 0.035 0.000 0.899 80 R HN 0.238 nan 8.270 nan 0.000 0.458 81 L N -1.383 119.860 121.223 0.033 0.000 2.049 81 L HA 0.022 4.362 4.340 0.000 0.000 0.203 81 L C 2.084 178.964 176.870 0.017 0.000 1.074 81 L CA 1.315 56.171 54.840 0.026 0.000 0.749 81 L CB -0.586 41.493 42.059 0.033 0.000 0.907 81 L HN 0.385 nan 8.230 nan 0.000 0.439 82 A N -0.671 122.161 122.820 0.020 0.000 2.255 82 A HA 0.187 4.507 4.320 0.000 0.000 0.206 82 A C 1.933 179.524 177.584 0.011 0.000 1.193 82 A CA 0.983 53.027 52.037 0.013 0.000 0.794 82 A CB -0.423 18.586 19.000 0.015 0.000 0.794 82 A HN 0.420 nan 8.150 nan 0.000 0.481 83 A N -0.670 122.158 122.820 0.014 0.000 2.169 83 A HA 0.427 4.748 4.320 0.000 0.000 0.210 83 A C 0.806 178.397 177.584 0.012 0.000 1.168 83 A CA -0.236 51.809 52.037 0.013 0.000 0.813 83 A CB -0.143 18.866 19.000 0.016 0.000 0.861 83 A HN 0.410 nan 8.150 nan 0.000 0.481 84 L N 2.085 123.315 121.223 0.011 0.000 2.499 84 L HA 0.128 4.469 4.340 0.000 0.000 0.273 84 L C -1.861 175.016 176.870 0.011 0.000 1.195 84 L CA -1.392 53.454 54.840 0.011 0.000 0.882 84 L CB 0.046 42.109 42.059 0.007 0.000 1.133 84 L HN 0.162 nan 8.230 nan 0.000 0.483 85 P HA -0.080 nan 4.420 nan 0.000 0.250 85 P C -0.035 177.276 177.300 0.018 0.000 1.161 85 P CA 0.231 63.341 63.100 0.018 0.000 0.863 85 P CB 0.121 31.835 31.700 0.023 0.000 0.827 86 E N 2.047 122.256 120.200 0.014 0.000 3.142 86 E HA -0.113 4.237 4.350 0.000 0.000 0.276 86 E C 1.409 178.022 176.600 0.021 0.000 0.887 86 E CA 1.647 58.055 56.400 0.013 0.000 0.975 86 E CB -0.219 29.489 29.700 0.013 0.000 0.937 86 E HN 0.796 nan 8.360 nan 0.000 0.516 87 G N 2.162 110.972 108.800 0.017 0.000 2.258 87 G HA2 -0.292 3.668 3.960 0.000 0.000 0.233 87 G HA3 -0.292 3.668 3.960 0.000 0.000 0.233 87 G C 0.379 175.315 174.900 0.060 0.000 1.006 87 G CA 0.035 45.158 45.100 0.038 0.000 0.620 87 G HN 0.587 nan 8.290 nan 0.000 0.511 88 V N 1.133 121.075 119.914 0.047 0.000 2.872 88 V HA 0.448 4.568 4.120 0.000 0.000 0.307 88 V C 0.451 176.573 176.094 0.047 0.000 1.072 88 V CA 0.205 62.548 62.300 0.071 0.000 1.148 88 V CB 1.097 32.950 31.823 0.050 0.000 0.954 88 V HN 0.309 nan 8.190 nan 0.000 0.490 89 F N 7.469 127.411 119.950 -0.013 0.000 2.405 89 F HA 0.496 5.023 4.527 0.000 0.000 0.355 89 F C -2.003 173.767 175.800 -0.050 0.000 1.121 89 F CA -2.284 55.691 58.000 -0.041 0.000 1.112 89 F CB 1.766 40.704 39.000 -0.103 0.000 1.126 89 F HN 0.333 nan 8.300 nan 0.000 0.481 90 P HA 0.244 nan 4.420 nan 0.000 0.300 90 P C -1.102 176.270 177.300 0.120 0.000 1.356 90 P CA -0.333 62.782 63.100 0.026 0.000 0.823 90 P CB 1.060 32.734 31.700 -0.045 0.000 0.934 91 I N 3.917 124.560 120.570 0.120 0.000 2.371 91 I HA 0.237 4.407 4.170 0.000 0.000 0.282 91 I C 0.060 176.199 176.117 0.035 0.000 1.031 91 I CA -1.130 60.219 61.300 0.080 0.000 1.180 91 I CB 1.026 39.045 38.000 0.033 0.000 1.336 91 I HN -0.007 nan 8.210 nan 0.000 0.467 92 V N 7.091 127.023 119.914 0.031 0.000 2.356 92 V HA 0.249 4.369 4.120 0.000 0.000 0.258 92 V C 0.683 176.778 176.094 0.000 0.000 1.065 92 V CA -0.401 61.913 62.300 0.025 0.000 0.935 92 V CB 0.637 32.490 31.823 0.049 0.000 1.061 92 V HN 0.479 nan 8.190 nan 0.000 0.484 93 L N 4.800 126.020 121.223 -0.005 0.000 2.397 93 L HA 0.758 5.098 4.340 0.000 0.000 0.271 93 L C 0.896 177.754 176.870 -0.020 0.000 1.148 93 L CA 0.349 55.178 54.840 -0.018 0.000 0.825 93 L CB 0.716 42.768 42.059 -0.011 0.000 1.117 93 L HN 0.733 nan 8.230 nan 0.000 0.456 94 G N 0.910 109.687 108.800 -0.037 0.000 2.606 94 G HA2 0.559 4.520 3.960 0.000 0.000 0.300 94 G HA3 0.559 4.520 3.960 0.000 0.000 0.300 94 G C -0.438 174.428 174.900 -0.055 0.000 1.360 94 G CA 0.032 45.109 45.100 -0.038 0.000 0.783 94 G HN 0.717 nan 8.290 nan 0.000 0.484 95 G N -0.936 107.832 108.800 -0.053 0.000 3.387 95 G HA2 0.441 4.401 3.960 0.000 0.000 0.195 95 G HA3 0.441 4.401 3.960 0.000 0.000 0.195 95 G C -0.388 174.465 174.900 -0.078 0.000 1.853 95 G CA 0.009 45.065 45.100 -0.072 0.000 0.879 95 G HN 0.579 nan 8.290 nan 0.000 0.651 96 D N -0.692 119.662 120.400 -0.076 0.000 2.622 96 D HA -0.003 4.637 4.640 0.000 0.000 0.227 96 D C 1.013 177.348 176.300 0.059 0.000 1.159 96 D CA 0.606 54.581 54.000 -0.041 0.000 0.865 96 D CB 0.498 41.300 40.800 0.003 0.000 1.207 96 D HN 0.496 nan 8.370 nan 0.000 0.492 97 H N 0.043 119.122 119.070 0.016 0.000 2.502 97 H HA -0.065 4.492 4.556 0.000 0.000 0.283 97 H C 1.497 176.886 175.328 0.102 0.000 1.015 97 H CA 0.576 56.645 56.048 0.036 0.000 1.298 97 H CB 0.446 30.270 29.762 0.104 0.000 1.411 97 H HN 0.331 nan 8.280 nan 0.000 0.556 98 S N 1.102 116.936 115.700 0.223 0.000 2.520 98 S HA -0.179 4.291 4.470 0.000 0.000 0.249 98 S C 1.922 176.529 174.600 0.010 0.000 0.983 98 S CA 1.088 59.347 58.200 0.099 0.000 0.958 98 S CB -0.476 62.771 63.200 0.078 0.000 0.750 98 S HN 0.481 nan 8.310 nan 0.000 0.527 99 L N -0.391 120.858 121.223 0.043 0.000 2.395 99 L HA 0.296 4.636 4.340 0.000 0.000 0.218 99 L C 1.864 178.734 176.870 -0.000 0.000 1.130 99 L CA 0.985 55.820 54.840 -0.008 0.000 0.826 99 L CB -1.047 41.019 42.059 0.012 0.000 0.941 99 L HN 0.003 nan 8.230 nan 0.000 0.451 100 S N 0.082 115.832 115.700 0.082 0.000 2.447 100 S HA -0.022 4.448 4.470 0.000 0.000 0.233 100 S C 1.869 176.489 174.600 0.034 0.000 1.006 100 S CA 1.632 59.913 58.200 0.135 0.000 0.957 100 S CB -0.412 62.983 63.200 0.324 0.000 0.773 100 S HN 0.508 nan 8.310 nan 0.000 0.507 101 M N 0.754 120.292 119.600 -0.103 0.000 2.108 101 M HA -0.089 4.391 4.480 0.000 0.000 0.261 101 M C 2.515 178.666 176.300 -0.249 0.000 1.066 101 M CA 1.686 56.823 55.300 -0.271 0.000 1.107 101 M CB -1.023 31.153 32.600 -0.707 0.000 1.356 101 M HN 0.456 nan 8.290 nan 0.000 0.406 102 G N 0.168 108.796 108.800 -0.286 0.000 2.404 102 G HA2 -0.202 3.758 3.960 0.000 0.000 0.215 102 G HA3 -0.202 3.758 3.960 0.000 0.000 0.215 102 G C 1.691 176.617 174.900 0.042 0.000 1.174 102 G CA 1.224 46.289 45.100 -0.057 0.000 0.780 102 G HN 0.563 nan 8.290 nan 0.000 0.537 103 S N 0.097 115.814 115.700 0.028 0.000 2.377 103 S HA -0.009 4.461 4.470 0.000 0.000 0.223 103 S C 2.312 176.901 174.600 -0.018 0.000 1.030 103 S CA 1.153 59.387 58.200 0.056 0.000 0.970 103 S CB -0.361 62.912 63.200 0.121 0.000 0.830 103 S HN 0.089 nan 8.310 nan 0.000 0.473 104 V N 3.060 122.910 119.914 -0.108 0.000 2.261 104 V HA -0.128 3.993 4.120 0.000 0.000 0.246 104 V C 3.218 179.232 176.094 -0.132 0.000 1.047 104 V CA 1.783 63.888 62.300 -0.324 0.000 1.015 104 V CB -1.673 30.027 31.823 -0.206 0.000 0.642 104 V HN 0.656 nan 8.190 nan 0.000 0.446 105 A N 0.771 123.586 122.820 -0.009 0.000 1.859 105 A HA -0.187 4.133 4.320 0.000 0.000 0.217 105 A C 2.447 180.052 177.584 0.034 0.000 1.198 105 A CA 2.401 54.468 52.037 0.050 0.000 0.629 105 A CB -1.508 17.594 19.000 0.170 0.000 0.830 105 A HN 0.558 nan 8.150 nan 0.000 0.446 106 G N -1.008 107.823 108.800 0.051 0.000 2.422 106 G HA2 0.044 4.004 3.960 0.000 0.000 0.218 106 G HA3 0.044 4.004 3.960 0.000 0.000 0.218 106 G C 1.579 176.487 174.900 0.013 0.000 1.146 106 G CA 1.368 46.492 45.100 0.039 0.000 0.769 106 G HN 0.940 nan 8.290 nan 0.000 0.547 107 A N 0.401 123.220 122.820 -0.002 0.000 2.169 107 A HA 0.587 4.907 4.320 0.000 0.000 0.212 107 A C 2.497 180.071 177.584 -0.018 0.000 1.153 107 A CA 1.464 53.498 52.037 -0.006 0.000 0.756 107 A CB -0.206 18.819 19.000 0.041 0.000 0.813 107 A HN 0.590 nan 8.150 nan 0.000 0.471 108 A N 0.360 123.164 122.820 -0.027 0.000 2.021 108 A HA 0.156 4.476 4.320 0.000 0.000 0.216 108 A C 1.246 178.826 177.584 -0.006 0.000 1.163 108 A CA 0.589 52.615 52.037 -0.018 0.000 0.676 108 A CB -0.340 18.646 19.000 -0.023 0.000 0.818 108 A HN 0.684 nan 8.150 nan 0.000 0.453 109 R N -1.580 118.918 120.500 -0.003 0.000 3.225 109 R HA -0.196 4.144 4.340 0.000 0.000 0.245 109 R C 0.911 177.211 176.300 0.000 0.000 0.928 109 R CA 0.466 56.566 56.100 -0.000 0.000 0.632 109 R CB -2.828 27.471 30.300 -0.002 0.000 1.038 109 R HN 1.490 nan 8.270 nan 0.000 0.461 110 G N -0.937 107.863 108.800 0.001 0.000 2.225 110 G HA2 -0.431 3.529 3.960 0.000 0.000 0.272 110 G HA3 -0.431 3.529 3.960 0.000 0.000 0.272 110 G C 0.531 175.432 174.900 0.002 0.000 0.996 110 G CA 0.850 45.951 45.100 0.000 0.000 0.710 110 G HN 0.535 nan 8.290 nan 0.000 0.522 111 R N 0.108 120.610 120.500 0.003 0.000 2.571 111 R HA 0.515 4.856 4.340 0.000 0.000 0.259 111 R C 0.513 176.818 176.300 0.010 0.000 1.226 111 R CA -0.968 55.136 56.100 0.007 0.000 1.157 111 R CB 0.230 30.535 30.300 0.007 0.000 1.220 111 R HN 0.229 nan 8.270 nan 0.000 0.605 112 R N 1.643 122.151 120.500 0.014 0.000 2.312 112 R HA 0.247 4.587 4.340 0.000 0.000 0.310 112 R C -0.660 175.657 176.300 0.028 0.000 1.064 112 R CA -0.361 55.750 56.100 0.019 0.000 0.983 112 R CB 0.126 30.437 30.300 0.018 0.000 1.139 112 R HN 0.411 nan 8.270 nan 0.000 0.536 113 V N 0.677 120.611 119.914 0.033 0.000 3.096 113 V HA 0.873 4.994 4.120 0.000 0.000 0.319 113 V C 0.219 176.355 176.094 0.070 0.000 1.082 113 V CA -0.688 61.643 62.300 0.051 0.000 1.022 113 V CB 1.719 33.575 31.823 0.054 0.000 1.103 113 V HN 0.627 nan 8.190 nan 0.000 0.455 114 G N 0.498 109.354 108.800 0.095 0.000 2.371 114 G HA2 0.583 4.543 3.960 0.000 0.000 0.326 114 G HA3 0.583 4.543 3.960 0.000 0.000 0.326 114 G C -1.061 173.932 174.900 0.155 0.000 1.127 114 G CA -0.617 44.552 45.100 0.116 0.000 0.885 114 G HN 1.008 nan 8.290 nan 0.000 0.477 115 V N 2.649 122.663 119.914 0.167 0.000 2.313 115 V HA 0.259 4.379 4.120 0.000 0.000 0.278 115 V C -0.122 176.123 176.094 0.252 0.000 1.017 115 V CA -0.604 61.837 62.300 0.236 0.000 0.823 115 V CB 1.316 33.270 31.823 0.219 0.000 1.010 115 V HN 0.553 nan 8.190 nan 0.000 0.443 116 V N 4.260 124.328 119.914 0.258 0.000 2.333 116 V HA 0.342 4.462 4.120 0.000 0.000 0.274 116 V C -0.300 175.983 176.094 0.314 0.000 1.028 116 V CA -0.613 61.827 62.300 0.233 0.000 0.851 116 V CB 1.241 33.151 31.823 0.146 0.000 1.000 116 V HN 0.905 nan 8.190 nan 0.000 0.456 117 W N 6.048 127.412 121.300 0.107 0.000 2.294 117 W HA 0.559 5.219 4.660 0.000 0.000 0.314 117 W C -0.797 175.789 176.519 0.111 0.000 1.044 117 W CA -0.703 56.720 57.345 0.130 0.000 1.284 117 W CB 1.922 31.456 29.460 0.122 0.000 1.231 117 W HN 0.460 nan 8.180 nan 0.000 0.419 118 V N 5.473 125.425 119.914 0.063 0.000 2.204 118 V HA 0.131 4.251 4.120 0.000 0.000 0.264 118 V C -0.055 176.012 176.094 -0.044 0.000 1.106 118 V CA -0.329 61.992 62.300 0.035 0.000 0.947 118 V CB 0.368 32.182 31.823 -0.014 0.000 1.164 118 V HN 0.424 nan 8.190 nan 0.000 0.461 119 D N 2.510 122.951 120.400 0.067 0.000 2.392 119 D HA 0.653 5.294 4.640 0.000 0.000 0.246 119 D C 0.820 177.137 176.300 0.029 0.000 1.013 119 D CA -0.218 53.827 54.000 0.074 0.000 0.993 119 D CB 2.910 43.949 40.800 0.397 0.000 1.219 119 D HN 0.280 nan 8.370 nan 0.000 0.538 120 A N 1.160 123.863 122.820 -0.196 0.000 2.218 120 A HA 0.113 4.433 4.320 0.000 0.000 0.209 120 A C 0.091 177.467 177.584 -0.347 0.000 1.168 120 A CA 0.688 52.546 52.037 -0.298 0.000 0.804 120 A CB -0.429 18.326 19.000 -0.409 0.000 0.834 120 A HN 0.601 nan 8.150 nan 0.000 0.482 121 H N -3.650 115.539 119.070 0.198 0.000 2.754 121 H HA 0.692 5.248 4.556 0.001 0.000 0.352 121 H C 0.987 176.484 175.328 0.280 0.000 1.213 121 H CA -0.265 55.908 56.048 0.208 0.000 1.244 121 H CB 1.499 31.391 29.762 0.217 0.000 1.843 121 H HN -0.010 nan 8.280 nan 0.000 0.587 122 A N -0.355 122.666 122.820 0.335 0.000 2.095 122 A HA 0.020 4.340 4.320 0.000 0.000 0.212 122 A C 0.255 177.967 177.584 0.214 0.000 1.162 122 A CA 0.501 52.660 52.037 0.203 0.000 0.753 122 A CB -0.335 18.715 19.000 0.083 0.000 0.840 122 A HN 0.823 nan 8.150 nan 0.000 0.468 123 D N -2.249 118.328 120.400 0.295 0.000 2.733 123 D HA -0.214 4.426 4.640 0.000 0.000 0.232 123 D C -0.075 176.260 176.300 0.058 0.000 1.161 123 D CA 0.941 55.068 54.000 0.211 0.000 0.653 123 D CB -1.443 39.575 40.800 0.363 0.000 1.052 123 D HN 0.535 nan 8.370 nan 0.000 0.424 124 F N 0.579 120.471 119.950 -0.097 0.000 2.708 124 F HA 0.222 4.749 4.527 0.000 0.000 0.300 124 F C 0.822 176.571 175.800 -0.085 0.000 1.118 124 F CA -0.543 57.370 58.000 -0.146 0.000 1.307 124 F CB 0.172 39.078 39.000 -0.158 0.000 0.986 124 F HN -0.191 nan 8.300 nan 0.000 0.522 125 N N 0.357 119.045 118.700 -0.019 0.000 2.503 125 N HA 0.236 4.976 4.740 0.000 0.000 0.267 125 N C -0.127 175.310 175.510 -0.121 0.000 1.214 125 N CA 0.098 53.124 53.050 -0.040 0.000 0.959 125 N CB 0.835 39.311 38.487 -0.018 0.000 1.142 125 N HN 0.135 nan 8.380 nan 0.000 0.455 126 T N -0.895 113.607 114.554 -0.088 0.000 2.945 126 T HA 0.312 4.662 4.350 0.000 0.000 0.286 126 T C -2.111 172.565 174.700 -0.039 0.000 1.025 126 T CA -1.929 60.121 62.100 -0.084 0.000 1.039 126 T CB 1.855 70.677 68.868 -0.077 0.000 1.068 126 T HN 0.196 nan 8.240 nan 0.000 0.497 127 P HA -0.118 nan 4.420 nan 0.000 0.218 127 P C 1.080 178.381 177.300 0.002 0.000 1.146 127 P CA 1.022 64.125 63.100 0.005 0.000 0.820 127 P CB 0.080 31.817 31.700 0.063 0.000 0.778 128 E N -1.515 118.683 120.200 -0.003 0.000 2.150 128 E HA -0.096 4.254 4.350 0.000 0.000 0.193 128 E C 1.635 178.234 176.600 -0.002 0.000 0.985 128 E CA 1.637 58.036 56.400 -0.002 0.000 0.814 128 E CB -1.075 28.621 29.700 -0.006 0.000 0.752 128 E HN 0.377 nan 8.360 nan 0.000 0.466 129 T N -3.116 111.435 114.554 -0.005 0.000 3.054 129 T HA 0.388 4.738 4.350 0.000 0.000 0.255 129 T C 0.424 175.124 174.700 0.000 0.000 1.035 129 T CA 0.198 62.300 62.100 0.003 0.000 0.941 129 T CB 0.315 69.191 68.868 0.014 0.000 1.026 129 T HN 0.075 nan 8.240 nan 0.000 0.533 133 G N 1.595 110.371 108.800 -0.040 0.000 2.225 133 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 133 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 133 G C -0.109 174.742 174.900 -0.082 0.000 1.024 133 G CA 0.599 45.669 45.100 -0.049 0.000 0.784 133 G HN 0.879 nan 8.290 nan 0.000 0.507 134 N N -1.514 117.096 118.700 -0.151 0.000 2.434 134 N HA 0.561 5.301 4.740 0.000 0.000 0.266 134 N C 1.310 176.643 175.510 -0.296 0.000 1.223 134 N CA -0.274 52.612 53.050 -0.272 0.000 0.972 134 N CB 1.451 39.596 38.487 -0.569 0.000 1.207 134 N HN -0.046 nan 8.380 nan 0.000 0.525 135 V N -0.035 119.705 119.914 -0.289 0.000 2.685 135 V HA -0.101 4.019 4.120 0.000 0.000 0.244 135 V C 1.513 177.522 176.094 -0.142 0.000 1.054 135 V CA 1.236 63.437 62.300 -0.164 0.000 1.076 135 V CB -1.078 30.706 31.823 -0.064 0.000 0.725 135 V HN 0.805 nan 8.190 nan 0.000 0.467 136 H N 0.811 119.882 119.070 0.001 0.000 2.518 136 H HA 0.046 4.602 4.556 0.000 0.000 0.292 136 H C 1.601 176.968 175.328 0.066 0.000 1.068 136 H CA 1.303 57.375 56.048 0.039 0.000 1.275 136 H CB -0.483 29.303 29.762 0.040 0.000 1.375 136 H HN 0.376 nan 8.280 nan 0.000 0.563 137 G N -0.295 108.450 108.800 -0.091 0.000 4.125 137 G HA2 0.387 4.348 3.960 0.000 0.000 0.301 137 G HA3 0.387 4.348 3.960 0.000 0.000 0.301 137 G C 0.359 175.238 174.900 -0.034 0.000 1.273 137 G CA -0.314 44.783 45.100 -0.004 0.000 1.095 137 G HN 0.431 nan 8.290 nan 0.000 0.582 138 M N -0.201 119.375 119.600 -0.041 0.000 2.010 138 M HA 0.131 4.611 4.480 0.000 0.000 0.371 138 M C -1.267 174.956 176.300 -0.128 0.000 0.831 138 M CA -0.062 55.182 55.300 -0.093 0.000 1.161 138 M CB 1.051 33.593 32.600 -0.097 0.000 2.243 138 M HN -0.008 nan 8.290 nan 0.000 0.766 139 P HA -0.186 nan 4.420 nan 0.000 0.216 139 P C 1.523 178.681 177.300 -0.237 0.000 1.153 139 P CA 1.271 64.315 63.100 -0.093 0.000 0.858 139 P CB 0.159 31.899 31.700 0.066 0.000 0.789 140 L N -0.061 120.890 121.223 -0.453 0.000 2.027 140 L HA -0.056 4.284 4.340 0.000 0.000 0.206 140 L C 2.721 179.325 176.870 -0.442 0.000 1.074 140 L CA 2.040 56.524 54.840 -0.594 0.000 0.745 140 L CB -1.498 40.082 42.059 -0.798 0.000 0.898 140 L HN -0.088 nan 8.230 nan 0.000 0.433 141 A N -1.129 121.265 122.820 -0.711 0.000 1.873 141 A HA -0.215 4.106 4.320 0.000 0.000 0.218 141 A C 2.310 179.593 177.584 -0.502 0.000 1.193 141 A CA 2.330 53.706 52.037 -1.100 0.000 0.629 141 A CB -1.270 17.122 19.000 -1.012 0.000 0.826 141 A HN 0.282 nan 8.150 nan 0.000 0.447 142 V N -0.175 119.556 119.914 -0.305 0.000 2.255 142 V HA -0.281 3.839 4.120 0.000 0.000 0.247 142 V C 2.571 178.610 176.094 -0.092 0.000 1.051 142 V CA 2.093 64.309 62.300 -0.141 0.000 1.018 142 V CB -0.708 31.082 31.823 -0.053 0.000 0.641 142 V HN 0.595 nan 8.190 nan 0.000 0.445 143 L N -0.049 121.114 121.223 -0.100 0.000 2.137 143 L HA -0.193 4.147 4.340 0.000 0.000 0.213 143 L C 1.679 178.520 176.870 -0.048 0.000 1.085 143 L CA 1.538 56.351 54.840 -0.046 0.000 0.760 143 L CB -0.261 41.755 42.059 -0.071 0.000 0.893 143 L HN 0.274 nan 8.230 nan 0.000 0.434 144 S N -0.020 115.622 115.700 -0.097 0.000 2.596 144 S HA 0.250 4.721 4.470 0.000 0.000 0.248 144 S C 0.993 175.547 174.600 -0.076 0.000 1.162 144 S CA 0.287 58.452 58.200 -0.059 0.000 1.185 144 S CB 0.097 63.289 63.200 -0.014 0.000 0.833 144 S HN 0.565 nan 8.310 nan 0.000 0.472 145 G N 1.969 110.731 108.800 -0.063 0.000 2.421 145 G HA2 -0.253 3.707 3.960 0.000 0.000 0.300 145 G HA3 -0.253 3.707 3.960 0.000 0.000 0.300 145 G C -0.233 174.618 174.900 -0.081 0.000 0.974 145 G CA 0.293 45.361 45.100 -0.054 0.000 1.062 145 G HN 0.556 nan 8.290 nan 0.000 0.514 146 L N -0.211 120.930 121.223 -0.137 0.000 2.381 146 L HA 0.714 5.054 4.340 0.000 0.000 0.274 146 L C 0.738 177.521 176.870 -0.146 0.000 0.988 146 L CA 0.060 54.805 54.840 -0.158 0.000 0.824 146 L CB 1.873 43.776 42.059 -0.260 0.000 1.263 146 L HN 1.027 nan 8.230 nan 0.000 0.410 147 G N 1.136 109.883 108.800 -0.087 0.000 2.498 147 G HA2 -0.185 3.775 3.960 0.000 0.000 0.651 147 G HA3 -0.185 3.775 3.960 0.000 0.000 0.651 147 G C -0.688 174.219 174.900 0.012 0.000 1.284 147 G CA -0.848 44.227 45.100 -0.042 0.000 0.950 147 G HN 0.848 nan 8.290 nan 0.000 0.511 148 H N 2.044 121.091 119.070 -0.039 0.000 3.203 148 H HA 0.046 4.602 4.556 0.000 0.000 0.288 148 H C -0.109 175.214 175.328 -0.009 0.000 0.908 148 H CA 1.232 57.269 56.048 -0.018 0.000 1.389 148 H CB 0.955 30.714 29.762 -0.005 0.000 1.294 148 H HN 0.321 nan 8.280 nan 0.000 0.559 149 P HA -0.202 nan 4.420 nan 0.000 0.215 149 P C 1.357 178.646 177.300 -0.017 0.000 1.157 149 P CA 1.152 64.171 63.100 -0.136 0.000 0.863 149 P CB 0.325 31.898 31.700 -0.210 0.000 0.787 150 R N -0.428 120.120 120.500 0.081 0.000 2.170 150 R HA -0.044 4.296 4.340 0.000 0.000 0.242 150 R C 2.409 178.803 176.300 0.157 0.000 1.145 150 R CA 0.912 57.112 56.100 0.166 0.000 0.984 150 R CB -1.173 29.315 30.300 0.313 0.000 0.869 150 R HN 0.371 nan 8.270 nan 0.000 0.455 151 L N -0.769 120.591 121.223 0.229 0.000 2.265 151 L HA -0.019 4.321 4.340 0.000 0.000 0.195 151 L C 2.329 179.323 176.870 0.208 0.000 1.083 151 L CA 1.275 56.282 54.840 0.279 0.000 0.798 151 L CB -0.937 41.283 42.059 0.268 0.000 0.989 151 L HN 0.181 nan 8.230 nan 0.000 0.472 152 T N -2.382 112.240 114.554 0.113 0.000 2.946 152 T HA -0.248 4.103 4.350 0.000 0.000 0.271 152 T C 1.470 176.175 174.700 0.008 0.000 1.104 152 T CA 1.502 63.634 62.100 0.053 0.000 1.114 152 T CB -0.320 68.548 68.868 -0.001 0.000 0.867 152 T HN 0.446 nan 8.240 nan 0.000 0.513 153 E N 1.444 121.630 120.200 -0.023 0.000 2.007 153 E HA -0.163 4.187 4.350 0.000 0.000 0.194 153 E C 2.304 178.817 176.600 -0.145 0.000 0.999 153 E CA 1.947 58.301 56.400 -0.077 0.000 0.811 153 E CB -0.237 29.415 29.700 -0.080 0.000 0.762 153 E HN 0.530 nan 8.360 nan 0.000 0.450 154 V N -1.920 117.814 119.914 -0.299 0.000 3.354 154 V HA 0.094 4.214 4.120 0.000 0.000 0.258 154 V C 1.420 177.220 176.094 -0.490 0.000 1.159 154 V CA 0.599 62.614 62.300 -0.474 0.000 1.125 154 V CB -0.448 30.928 31.823 -0.745 0.000 0.774 154 V HN 0.222 nan 8.190 nan 0.000 0.464 155 F N 0.671 120.617 119.950 -0.007 0.000 2.721 155 F HA 0.477 5.004 4.527 0.000 0.000 0.301 155 F C 1.409 177.194 175.800 -0.025 0.000 1.096 155 F CA -0.960 57.032 58.000 -0.012 0.000 1.308 155 F CB -0.271 38.726 39.000 -0.006 0.000 1.086 155 F HN 0.020 nan 8.300 nan 0.000 0.587 156 R N 1.421 121.981 120.500 0.100 0.000 2.585 156 R HA 0.368 4.708 4.340 0.000 0.000 0.275 156 R C 0.146 176.468 176.300 0.036 0.000 1.018 156 R CA 0.815 56.942 56.100 0.046 0.000 1.072 156 R CB 0.328 30.633 30.300 0.008 0.000 0.953 156 R HN 0.172 nan 8.270 nan 0.000 0.419 157 A N 3.800 126.634 122.820 0.023 0.000 2.683 157 A HA 0.291 4.612 4.320 0.000 0.000 0.207 157 A C -1.162 176.426 177.584 0.007 0.000 0.945 157 A CA -0.351 51.695 52.037 0.014 0.000 1.233 157 A CB 0.454 19.465 19.000 0.019 0.000 1.227 157 A HN 0.485 nan 8.150 nan 0.000 0.470 158 V N -0.353 119.566 119.914 0.009 0.000 3.234 158 V HA 0.437 4.557 4.120 0.000 0.000 0.280 158 V C -2.275 173.832 176.094 0.022 0.000 1.580 158 V CA -0.465 61.845 62.300 0.018 0.000 1.032 158 V CB 2.158 33.995 31.823 0.023 0.000 1.203 158 V HN 0.453 nan 8.190 nan 0.000 0.459 159 D N 4.557 124.976 120.400 0.032 0.000 2.198 159 D HA 0.539 5.179 4.640 0.000 0.000 0.245 159 D C -1.845 174.487 176.300 0.053 0.000 1.079 159 D CA -2.023 51.998 54.000 0.036 0.000 0.854 159 D CB 2.471 43.290 40.800 0.032 0.000 1.148 159 D HN 0.244 nan 8.370 nan 0.000 0.456 160 P HA -0.145 nan 4.420 nan 0.000 0.217 160 P C 0.654 177.996 177.300 0.069 0.000 1.148 160 P CA 1.498 64.643 63.100 0.075 0.000 0.828 160 P CB 0.212 31.969 31.700 0.096 0.000 0.783 161 K N -0.931 119.517 120.400 0.079 0.000 2.442 161 K HA -0.100 4.220 4.320 0.000 0.000 0.198 161 K C 0.639 177.346 176.600 0.178 0.000 1.044 161 K CA 0.911 57.273 56.287 0.125 0.000 0.948 161 K CB -0.278 32.265 32.500 0.071 0.000 0.762 161 K HN 0.189 nan 8.250 nan 0.000 0.472 162 D N -0.020 120.456 120.400 0.126 0.000 2.402 162 D HA 0.045 4.685 4.640 0.000 0.000 0.216 162 D C -0.635 175.743 176.300 0.129 0.000 1.128 162 D CA 0.194 54.277 54.000 0.138 0.000 0.833 162 D CB 0.723 41.577 40.800 0.090 0.000 0.971 162 D HN -0.153 nan 8.370 nan 0.000 0.503 163 V N 1.373 121.343 119.914 0.092 0.000 2.459 163 V HA 0.369 4.489 4.120 0.000 0.000 0.295 163 V C -0.064 176.023 176.094 -0.010 0.000 1.029 163 V CA -0.766 61.563 62.300 0.048 0.000 0.874 163 V CB 2.272 34.096 31.823 0.002 0.000 0.985 163 V HN -0.156 nan 8.190 nan 0.000 0.438 164 V N 5.359 125.296 119.914 0.038 0.000 2.531 164 V HA 0.580 4.701 4.120 0.000 0.000 0.301 164 V C -0.473 175.688 176.094 0.113 0.000 1.034 164 V CA -0.711 61.607 62.300 0.030 0.000 0.865 164 V CB 1.680 33.556 31.823 0.089 0.000 0.995 164 V HN 0.618 nan 8.190 nan 0.000 0.424 165 L N 4.719 125.992 121.223 0.082 0.000 2.309 165 L HA 0.834 5.174 4.340 0.000 0.000 0.282 165 L C -0.664 176.329 176.870 0.206 0.000 1.036 165 L CA -0.780 54.148 54.840 0.147 0.000 0.806 165 L CB 2.025 44.110 42.059 0.045 0.000 1.220 165 L HN 0.577 nan 8.230 nan 0.000 0.429 166 V N -0.234 119.801 119.914 0.202 0.000 2.709 166 V HA 0.713 4.833 4.120 0.000 0.000 0.308 166 V C 0.620 176.783 176.094 0.114 0.000 1.062 166 V CA -0.173 62.229 62.300 0.170 0.000 0.901 166 V CB 1.229 33.115 31.823 0.105 0.000 1.003 166 V HN 0.966 nan 8.190 nan 0.000 0.425 167 G N 2.457 111.314 108.800 0.096 0.000 2.179 167 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 167 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 167 G C 0.205 175.128 174.900 0.039 0.000 0.977 167 G CA 0.076 45.207 45.100 0.051 0.000 0.641 167 G HN 1.023 nan 8.290 nan 0.000 0.533 168 V N 1.956 121.907 119.914 0.061 0.000 2.557 168 V HA 0.290 4.410 4.120 0.000 0.000 0.301 168 V C 1.600 177.709 176.094 0.026 0.000 1.026 168 V CA 1.511 63.835 62.300 0.041 0.000 1.137 168 V CB 0.910 32.767 31.823 0.056 0.000 0.917 168 V HN 0.659 nan 8.190 nan 0.000 0.484 169 R N 2.606 123.108 120.500 0.003 0.000 2.566 169 R HA 0.378 4.718 4.340 0.000 0.000 0.388 169 R C -0.008 176.313 176.300 0.035 0.000 0.989 169 R CA -0.117 55.994 56.100 0.018 0.000 1.164 169 R CB 0.828 31.133 30.300 0.008 0.000 1.459 169 R HN 0.522 nan 8.270 nan 0.000 0.553 170 S N 0.936 116.669 115.700 0.055 0.000 2.626 170 S HA 0.539 5.009 4.470 0.000 0.000 0.275 170 S C -1.647 173.026 174.600 0.122 0.000 1.175 170 S CA -0.612 57.647 58.200 0.099 0.000 0.982 170 S CB 1.108 64.402 63.200 0.157 0.000 1.093 170 S HN 0.273 nan 8.310 nan 0.000 0.472 171 L N 3.996 125.271 121.223 0.088 0.000 2.441 171 L HA 0.492 4.832 4.340 0.000 0.000 0.270 171 L C -0.819 176.088 176.870 0.063 0.000 0.973 171 L CA -0.849 54.038 54.840 0.078 0.000 0.842 171 L CB 1.989 44.073 42.059 0.042 0.000 1.239 171 L HN 0.572 nan 8.230 nan 0.000 0.406 172 D N 4.271 124.712 120.400 0.068 0.000 2.425 172 D HA 0.063 4.703 4.640 0.000 0.000 0.247 172 D C -1.523 174.801 176.300 0.041 0.000 1.147 172 D CA -1.086 52.945 54.000 0.050 0.000 0.879 172 D CB 1.532 42.360 40.800 0.046 0.000 1.179 172 D HN 0.220 nan 8.370 nan 0.000 0.456 173 P HA -0.259 nan 4.420 nan 0.000 0.219 173 P C 1.468 178.783 177.300 0.026 0.000 1.159 173 P CA 2.019 65.132 63.100 0.022 0.000 0.944 173 P CB 0.108 31.819 31.700 0.018 0.000 0.792 174 G N -0.346 108.471 108.800 0.029 0.000 2.599 174 G HA2 -0.353 3.607 3.960 0.000 0.000 0.219 174 G HA3 -0.353 3.607 3.960 0.000 0.000 0.219 174 G C 1.437 176.370 174.900 0.055 0.000 1.193 174 G CA 1.397 46.518 45.100 0.035 0.000 0.778 174 G HN 0.326 nan 8.290 nan 0.000 0.589 175 E N 0.322 120.566 120.200 0.073 0.000 2.147 175 E HA -0.211 4.139 4.350 0.000 0.000 0.199 175 E C 2.528 179.157 176.600 0.050 0.000 1.005 175 E CA 1.288 57.755 56.400 0.110 0.000 0.810 175 E CB -0.146 29.617 29.700 0.104 0.000 0.736 175 E HN 0.451 nan 8.360 nan 0.000 0.460 176 K N 0.229 120.641 120.400 0.019 0.000 2.211 176 K HA -0.154 4.166 4.320 0.000 0.000 0.204 176 K C 2.120 178.712 176.600 -0.014 0.000 1.047 176 K CA 1.039 57.318 56.287 -0.013 0.000 0.935 176 K CB 0.013 32.507 32.500 -0.009 0.000 0.728 176 K HN 0.077 nan 8.250 nan 0.000 0.452 177 R N 0.549 121.057 120.500 0.013 0.000 2.043 177 R HA 0.082 4.422 4.340 0.000 0.000 0.221 177 R C 2.198 178.522 176.300 0.039 0.000 1.196 177 R CA 0.683 56.793 56.100 0.017 0.000 0.949 177 R CB -0.591 29.722 30.300 0.022 0.000 0.838 177 R HN 0.039 nan 8.270 nan 0.000 0.446 178 L N 1.495 122.774 121.223 0.093 0.000 2.456 178 L HA -0.209 4.131 4.340 0.000 0.000 0.225 178 L C 2.054 179.075 176.870 0.251 0.000 1.142 178 L CA 0.984 55.934 54.840 0.183 0.000 0.796 178 L CB -0.541 41.657 42.059 0.232 0.000 0.920 178 L HN 0.263 nan 8.230 nan 0.000 0.446 179 L N -1.265 119.975 121.223 0.029 0.000 2.347 179 L HA 0.000 4.340 4.340 0.000 0.000 0.196 179 L C 2.557 179.331 176.870 -0.159 0.000 1.072 179 L CA 0.436 55.124 54.840 -0.254 0.000 0.817 179 L CB -0.180 41.626 42.059 -0.422 0.000 1.029 179 L HN 0.034 nan 8.230 nan 0.000 0.478 180 K N 0.362 120.701 120.400 -0.103 0.000 2.063 180 K HA -0.247 4.073 4.320 0.000 0.000 0.208 180 K C 1.902 178.474 176.600 -0.047 0.000 1.048 180 K CA 1.654 57.893 56.287 -0.080 0.000 0.928 180 K CB 0.009 32.475 32.500 -0.057 0.000 0.713 180 K HN 0.256 nan 8.250 nan 0.000 0.442 181 E N -0.214 119.975 120.200 -0.018 0.000 2.077 181 E HA -0.160 4.190 4.350 0.000 0.000 0.193 181 E C 1.474 178.082 176.600 0.013 0.000 0.989 181 E CA 1.258 57.661 56.400 0.006 0.000 0.800 181 E CB 0.021 29.738 29.700 0.027 0.000 0.746 181 E HN 0.317 nan 8.360 nan 0.000 0.452 182 A N -0.290 122.546 122.820 0.027 0.000 2.275 182 A HA 0.310 4.630 4.320 0.000 0.000 0.212 182 A C 1.283 178.873 177.584 0.009 0.000 1.201 182 A CA 0.624 52.686 52.037 0.042 0.000 0.843 182 A CB -0.123 18.951 19.000 0.122 0.000 0.873 182 A HN 0.306 nan 8.150 nan 0.000 0.492 183 G N -0.395 108.388 108.800 -0.028 0.000 2.298 183 G HA2 -0.154 3.806 3.960 0.000 0.000 0.287 183 G HA3 -0.154 3.806 3.960 0.000 0.000 0.287 183 G C -0.080 174.794 174.900 -0.043 0.000 1.075 183 G CA 0.194 45.276 45.100 -0.029 0.000 0.960 183 G HN 0.861 nan 8.290 nan 0.000 0.502 184 V N 0.570 120.404 119.914 -0.134 0.000 2.385 184 V HA 0.451 4.571 4.120 0.000 0.000 0.269 184 V C 1.080 177.026 176.094 -0.247 0.000 1.043 184 V CA -1.019 61.170 62.300 -0.184 0.000 0.906 184 V CB 1.292 32.923 31.823 -0.320 0.000 0.995 184 V HN 0.602 nan 8.190 nan 0.000 0.467 185 R N 4.420 124.730 120.500 -0.316 0.000 2.504 185 R HA 0.187 4.527 4.340 0.000 0.000 0.291 185 R C -0.920 175.154 176.300 -0.376 0.000 0.974 185 R CA 0.500 56.334 56.100 -0.445 0.000 1.077 185 R CB 0.203 30.050 30.300 -0.755 0.000 0.926 185 R HN 0.487 nan 8.270 nan 0.000 0.407 186 V N 7.432 127.065 119.914 -0.469 0.000 2.447 186 V HA 0.277 4.398 4.120 0.000 0.000 0.292 186 V C -1.273 174.522 176.094 -0.498 0.000 1.021 186 V CA -0.618 61.458 62.300 -0.373 0.000 0.850 186 V CB 1.246 32.906 31.823 -0.271 0.000 1.005 186 V HN 0.700 nan 8.190 nan 0.000 0.426 187 Y N 4.100 124.372 120.300 -0.046 0.000 2.804 187 Y HA 0.359 4.909 4.550 0.000 0.000 0.330 187 Y C 1.380 177.283 175.900 0.004 0.000 1.092 187 Y CA -0.581 57.510 58.100 -0.016 0.000 1.315 187 Y CB 0.865 39.322 38.460 -0.007 0.000 1.188 187 Y HN 0.744 nan 8.280 nan 0.000 0.512 188 T N -1.586 113.013 114.554 0.075 0.000 2.689 188 T HA 0.032 4.382 4.350 0.000 0.000 0.308 188 T C 1.572 176.345 174.700 0.122 0.000 1.021 188 T CA -0.646 61.501 62.100 0.077 0.000 0.973 188 T CB 0.667 69.561 68.868 0.043 0.000 1.113 188 T HN 0.392 nan 8.240 nan 0.000 0.522 189 M N 0.276 119.935 119.600 0.099 0.000 2.099 189 M HA -0.069 4.411 4.480 0.000 0.000 0.262 189 M C 2.265 178.637 176.300 0.121 0.000 1.067 189 M CA 1.629 56.983 55.300 0.089 0.000 1.124 189 M CB -2.056 30.578 32.600 0.055 0.000 1.353 189 M HN 0.861 nan 8.290 nan 0.000 0.410 190 H N 0.826 119.915 119.070 0.032 0.000 2.330 190 H HA -0.227 4.329 4.556 0.000 0.000 0.290 190 H C 1.644 176.999 175.328 0.045 0.000 1.111 190 H CA 2.548 58.614 56.048 0.029 0.000 1.226 190 H CB -0.016 29.757 29.762 0.019 0.000 1.355 190 H HN 0.337 nan 8.280 nan 0.000 0.485 191 E N -0.275 120.124 120.200 0.331 0.000 2.106 191 E HA -0.085 4.265 4.350 0.000 0.000 0.192 191 E C 2.643 179.350 176.600 0.179 0.000 0.984 191 E CA 1.227 57.799 56.400 0.287 0.000 0.806 191 E CB -0.066 29.836 29.700 0.338 0.000 0.750 191 E HN 0.339 nan 8.360 nan 0.000 0.458 192 V N 1.302 121.296 119.914 0.132 0.000 2.490 192 V HA -0.214 3.906 4.120 0.000 0.000 0.250 192 V C 1.404 177.516 176.094 0.030 0.000 1.061 192 V CA 1.791 64.128 62.300 0.061 0.000 1.064 192 V CB -0.411 31.440 31.823 0.047 0.000 0.670 192 V HN 0.200 nan 8.190 nan 0.000 0.461 193 D N -0.466 119.944 120.400 0.016 0.000 2.234 193 D HA -0.037 4.603 4.640 0.000 0.000 0.205 193 D C 2.377 178.656 176.300 -0.035 0.000 0.962 193 D CA 0.696 54.679 54.000 -0.027 0.000 0.855 193 D CB 0.002 40.758 40.800 -0.073 0.000 0.951 193 D HN 0.329 nan 8.370 nan 0.000 0.500 194 R N -0.083 120.411 120.500 -0.010 0.000 2.090 194 R HA 0.159 4.500 4.340 0.000 0.000 0.219 194 R C 1.749 178.070 176.300 0.034 0.000 1.100 194 R CA 0.460 56.566 56.100 0.010 0.000 0.991 194 R CB 0.264 30.611 30.300 0.079 0.000 0.893 194 R HN 0.166 nan 8.270 nan 0.000 0.443 195 L N -0.580 120.673 121.223 0.049 0.000 2.766 195 L HA 0.334 4.674 4.340 0.000 0.000 0.242 195 L C 0.559 177.432 176.870 0.005 0.000 1.136 195 L CA -0.012 54.849 54.840 0.034 0.000 0.933 195 L CB 0.721 42.814 42.059 0.056 0.000 1.241 195 L HN 0.231 nan 8.230 nan 0.000 0.522 196 G N 0.394 109.195 108.800 0.001 0.000 2.825 196 G HA2 -0.204 3.757 3.960 0.000 0.000 0.684 196 G HA3 -0.204 3.757 3.960 0.000 0.000 0.684 196 G C 0.482 175.362 174.900 -0.032 0.000 1.528 196 G CA -0.350 44.743 45.100 -0.011 0.000 0.963 196 G HN -0.152 nan 8.290 nan 0.000 0.577 197 V N 2.055 121.949 119.914 -0.033 0.000 2.220 197 V HA -0.131 3.990 4.120 0.000 0.000 0.246 197 V C 3.541 179.596 176.094 -0.066 0.000 1.049 197 V CA 3.576 65.844 62.300 -0.053 0.000 1.003 197 V CB -1.695 30.106 31.823 -0.038 0.000 0.634 197 V HN 2.111 nan 8.190 nan 0.000 0.444 198 A N -0.144 122.650 122.820 -0.043 0.000 1.909 198 A HA -0.377 3.943 4.320 0.000 0.000 0.221 198 A C 2.426 179.980 177.584 -0.051 0.000 1.223 198 A CA 2.801 54.815 52.037 -0.039 0.000 0.658 198 A CB -0.783 18.204 19.000 -0.023 0.000 0.831 198 A HN 0.493 nan 8.150 nan 0.000 0.462 199 R N -0.711 119.759 120.500 -0.050 0.000 2.120 199 R HA -0.064 4.276 4.340 0.000 0.000 0.234 199 R C 1.941 178.180 176.300 -0.101 0.000 1.123 199 R CA 1.584 57.654 56.100 -0.051 0.000 0.975 199 R CB -0.358 29.925 30.300 -0.028 0.000 0.866 199 R HN 0.706 nan 8.270 nan 0.000 0.446 200 I N -0.355 120.112 120.570 -0.172 0.000 2.500 200 I HA -0.107 4.063 4.170 0.000 0.000 0.252 200 I C 2.455 178.421 176.117 -0.252 0.000 1.142 200 I CA 0.691 61.779 61.300 -0.352 0.000 1.451 200 I CB -0.381 37.324 38.000 -0.492 0.000 1.093 200 I HN 0.131 nan 8.210 nan 0.000 0.430 201 A N 1.344 124.077 122.820 -0.144 0.000 1.845 201 A HA -0.187 4.133 4.320 0.000 0.000 0.215 201 A C 2.265 179.814 177.584 -0.059 0.000 1.195 201 A CA 1.520 53.505 52.037 -0.087 0.000 0.616 201 A CB -0.488 18.478 19.000 -0.056 0.000 0.832 201 A HN 0.338 nan 8.150 nan 0.000 0.443 202 E N 0.276 120.446 120.200 -0.049 0.000 2.086 202 E HA -0.248 4.102 4.350 0.000 0.000 0.200 202 E C 1.845 178.437 176.600 -0.014 0.000 1.012 202 E CA 1.686 58.072 56.400 -0.023 0.000 0.812 202 E CB -0.598 29.091 29.700 -0.018 0.000 0.743 202 E HN 0.787 nan 8.360 nan 0.000 0.453 203 E N 0.368 120.541 120.200 -0.044 0.000 2.106 203 E HA -0.103 4.247 4.350 0.000 0.000 0.192 203 E C 2.260 178.879 176.600 0.031 0.000 0.984 203 E CA 0.837 57.230 56.400 -0.011 0.000 0.806 203 E CB 0.090 29.755 29.700 -0.059 0.000 0.750 203 E HN 0.035 nan 8.360 nan 0.000 0.458 204 V N 1.397 121.292 119.914 -0.031 0.000 2.307 204 V HA -0.227 3.894 4.120 0.000 0.000 0.245 204 V C 2.294 178.442 176.094 0.090 0.000 1.045 204 V CA 1.274 63.601 62.300 0.044 0.000 1.024 204 V CB -0.335 31.490 31.823 0.004 0.000 0.651 204 V HN 0.282 nan 8.190 nan 0.000 0.449 205 L N -0.074 121.181 121.223 0.052 0.000 2.187 205 L HA -0.221 4.119 4.340 0.000 0.000 0.213 205 L C 2.518 179.430 176.870 0.070 0.000 1.100 205 L CA 1.667 56.542 54.840 0.058 0.000 0.765 205 L CB -0.419 41.660 42.059 0.034 0.000 0.904 205 L HN 0.332 nan 8.230 nan 0.000 0.437 206 K N -0.405 120.042 120.400 0.079 0.000 2.044 206 K HA -0.210 4.110 4.320 0.000 0.000 0.204 206 K C 2.107 178.766 176.600 0.098 0.000 1.049 206 K CA 1.323 57.655 56.287 0.075 0.000 0.945 206 K CB -0.223 32.320 32.500 0.072 0.000 0.724 206 K HN 0.180 nan 8.250 nan 0.000 0.440 207 H N -0.531 118.574 119.070 0.058 0.000 2.489 207 H HA 0.057 4.613 4.556 0.000 0.000 0.295 207 H C 0.082 175.442 175.328 0.053 0.000 1.082 207 H CA 1.598 57.683 56.048 0.062 0.000 1.295 207 H CB 0.184 30.000 29.762 0.090 0.000 1.380 207 H HN 0.125 nan 8.280 nan 0.000 0.548 208 L N 2.033 123.350 121.223 0.156 0.000 3.186 208 L HA 0.166 4.507 4.340 0.000 0.000 0.292 208 L C -0.199 176.712 176.870 0.068 0.000 1.303 208 L CA -0.512 54.393 54.840 0.108 0.000 0.940 208 L CB 0.351 42.489 42.059 0.132 0.000 1.358 208 L HN 0.275 nan 8.230 nan 0.000 0.581 209 Q N 0.167 119.994 119.800 0.044 0.000 2.330 209 Q HA 0.267 4.607 4.340 0.000 0.000 0.279 209 Q C 1.030 177.046 176.000 0.027 0.000 1.024 209 Q CA 0.716 56.539 55.803 0.032 0.000 0.900 209 Q CB 1.041 29.790 28.738 0.019 0.000 1.221 209 Q HN 0.419 nan 8.270 nan 0.000 0.396 210 G N 2.370 111.187 108.800 0.029 0.000 2.353 210 G HA2 -0.318 3.642 3.960 0.000 0.000 0.258 210 G HA3 -0.318 3.642 3.960 0.000 0.000 0.258 210 G C 0.156 175.075 174.900 0.032 0.000 1.013 210 G CA 0.449 45.565 45.100 0.026 0.000 0.622 210 G HN 0.577 nan 8.290 nan 0.000 0.535 211 L N 2.588 123.835 121.223 0.039 0.000 2.436 211 L HA 0.422 4.762 4.340 0.000 0.000 0.265 211 L C -1.588 175.314 176.870 0.055 0.000 1.168 211 L CA -1.797 53.070 54.840 0.046 0.000 0.815 211 L CB 0.704 42.796 42.059 0.055 0.000 1.109 211 L HN 0.027 nan 8.230 nan 0.000 0.462 212 P HA 0.258 nan 4.420 nan 0.000 0.291 212 P C -0.821 176.526 177.300 0.077 0.000 1.340 212 P CA -0.369 62.766 63.100 0.059 0.000 0.799 212 P CB 0.736 32.462 31.700 0.043 0.000 0.917 213 L N 3.750 125.029 121.223 0.093 0.000 2.452 213 L HA 0.274 4.615 4.340 0.000 0.000 0.267 213 L C 1.101 178.061 176.870 0.149 0.000 1.188 213 L CA -0.038 54.875 54.840 0.122 0.000 0.821 213 L CB 0.101 42.227 42.059 0.112 0.000 1.102 213 L HN 0.514 nan 8.230 nan 0.000 0.470 214 H N 2.213 121.328 119.070 0.076 0.000 2.823 214 H HA 0.398 4.955 4.556 0.000 0.000 0.332 214 H C -1.647 173.747 175.328 0.111 0.000 0.980 214 H CA -0.543 55.549 56.048 0.074 0.000 1.286 214 H CB 1.808 31.611 29.762 0.069 0.000 1.541 214 H HN 0.277 nan 8.280 nan 0.000 0.521 215 V N 4.535 124.323 119.914 -0.211 0.000 2.350 215 V HA 0.159 4.280 4.120 0.000 0.000 0.276 215 V C 0.590 176.569 176.094 -0.191 0.000 1.028 215 V CA -0.526 61.719 62.300 -0.091 0.000 0.860 215 V CB 1.157 32.949 31.823 -0.052 0.000 0.990 215 V HN 0.713 nan 8.190 nan 0.000 0.453 216 S N 5.363 121.050 115.700 -0.023 0.000 2.423 216 S HA 0.561 5.031 4.470 0.000 0.000 0.317 216 S C -0.686 173.768 174.600 -0.243 0.000 1.065 216 S CA -0.437 57.690 58.200 -0.121 0.000 1.111 216 S CB 0.301 63.406 63.200 -0.158 0.000 0.968 216 S HN 0.548 nan 8.310 nan 0.000 0.474 217 L N 5.627 126.707 121.223 -0.239 0.000 2.276 217 L HA 0.514 4.855 4.340 0.000 0.000 0.286 217 L C -0.323 176.342 176.870 -0.342 0.000 1.024 217 L CA -0.165 54.528 54.840 -0.245 0.000 0.826 217 L CB 1.270 43.225 42.059 -0.174 0.000 1.211 217 L HN 0.517 nan 8.230 nan 0.000 0.422 218 D N 3.504 123.663 120.400 -0.401 0.000 2.249 218 D HA 0.250 4.890 4.640 0.000 0.000 0.246 218 D C 0.685 176.843 176.300 -0.237 0.000 1.114 218 D CA 0.207 53.936 54.000 -0.452 0.000 0.854 218 D CB 2.262 42.795 40.800 -0.446 0.000 1.132 218 D HN 0.744 nan 8.370 nan 0.000 0.461 219 A N 3.546 126.249 122.820 -0.194 0.000 2.070 219 A HA -0.195 4.125 4.320 0.000 0.000 0.220 219 A C 1.212 178.745 177.584 -0.086 0.000 1.159 219 A CA 1.294 53.258 52.037 -0.122 0.000 0.656 219 A CB -0.298 18.643 19.000 -0.098 0.000 0.800 219 A HN 0.699 nan 8.150 nan 0.000 0.453 220 D N -1.098 119.257 120.400 -0.075 0.000 2.652 220 D HA 0.151 4.791 4.640 0.000 0.000 0.247 220 D C 0.577 176.829 176.300 -0.080 0.000 1.232 220 D CA 0.354 54.331 54.000 -0.039 0.000 0.863 220 D CB 0.201 41.032 40.800 0.052 0.000 1.023 220 D HN 0.048 nan 8.370 nan 0.000 0.474 221 V N -0.274 119.592 119.914 -0.081 0.000 3.455 221 V HA 0.216 4.337 4.120 0.000 0.000 0.250 221 V C 0.938 177.001 176.094 -0.051 0.000 1.230 221 V CA 0.063 62.317 62.300 -0.077 0.000 1.105 221 V CB 0.068 31.846 31.823 -0.075 0.000 0.850 221 V HN 0.283 nan 8.190 nan 0.000 0.461 222 L N 0.681 121.877 121.223 -0.044 0.000 2.476 222 L HA 0.258 4.598 4.340 0.000 0.000 0.255 222 L C 0.205 177.070 176.870 -0.009 0.000 1.218 222 L CA 0.015 54.843 54.840 -0.020 0.000 0.819 222 L CB 0.033 42.086 42.059 -0.011 0.000 1.119 222 L HN 0.129 nan 8.230 nan 0.000 0.485 223 D N 0.217 120.622 120.400 0.007 0.000 2.382 223 D HA 0.095 4.735 4.640 0.000 0.000 0.245 223 D C -1.723 174.581 176.300 0.006 0.000 1.120 223 D CA -1.101 52.904 54.000 0.007 0.000 0.890 223 D CB 1.248 42.056 40.800 0.014 0.000 1.201 223 D HN 0.187 nan 8.370 nan 0.000 0.433 224 P HA -0.133 nan 4.420 nan 0.000 0.221 224 P C 1.112 178.414 177.300 0.004 0.000 1.145 224 P CA 0.930 64.033 63.100 0.005 0.000 0.795 224 P CB 0.176 31.881 31.700 0.008 0.000 0.775 225 T N -1.880 112.678 114.554 0.005 0.000 2.962 225 T HA -0.067 4.283 4.350 0.000 0.000 0.270 225 T C 1.373 176.074 174.700 0.002 0.000 1.088 225 T CA 0.776 62.878 62.100 0.003 0.000 1.127 225 T CB -0.375 68.495 68.868 0.004 0.000 0.883 225 T HN -0.104 nan 8.240 nan 0.000 0.493 226 L N 0.114 121.343 121.223 0.010 0.000 2.435 226 L HA 0.629 4.969 4.340 0.000 0.000 0.195 226 L C 0.946 177.826 176.870 0.016 0.000 1.072 226 L CA 0.762 55.612 54.840 0.017 0.000 0.833 226 L CB -0.263 41.822 42.059 0.042 0.000 1.081 226 L HN 0.105 nan 8.230 nan 0.000 0.485 227 A N 0.764 123.591 122.820 0.012 0.000 2.802 227 A HA 0.552 4.873 4.320 0.000 0.000 0.344 227 A C -2.000 175.582 177.584 -0.003 0.000 1.215 227 A CA -0.946 51.093 52.037 0.003 0.000 0.821 227 A CB -0.095 18.903 19.000 -0.004 0.000 1.099 227 A HN 0.265 nan 8.150 nan 0.000 0.479 228 P HA -0.055 nan 4.420 nan 0.000 0.222 228 P C 1.037 178.333 177.300 -0.008 0.000 1.153 228 P CA 1.108 64.206 63.100 -0.004 0.000 0.798 228 P CB 0.157 31.854 31.700 -0.005 0.000 0.796 229 G N 1.443 110.236 108.800 -0.013 0.000 3.316 229 G HA2 0.380 4.340 3.960 0.000 0.000 0.255 229 G HA3 0.380 4.340 3.960 0.000 0.000 0.255 229 G C 0.032 174.918 174.900 -0.024 0.000 0.880 229 G CA -0.098 44.991 45.100 -0.019 0.000 1.956 229 G HN 0.292 nan 8.290 nan 0.000 0.634 230 V N -1.191 118.712 119.914 -0.018 0.000 2.925 230 V HA 0.848 4.968 4.120 0.000 0.000 0.311 230 V C 1.223 177.310 176.094 -0.012 0.000 1.104 230 V CA -0.028 62.259 62.300 -0.021 0.000 0.954 230 V CB 1.280 33.094 31.823 -0.014 0.000 1.022 230 V HN 0.451 nan 8.190 nan 0.000 0.427 231 G N 3.512 112.296 108.800 -0.027 0.000 2.839 231 G HA2 -0.173 3.787 3.960 0.000 0.000 0.221 231 G HA3 -0.173 3.787 3.960 0.000 0.000 0.221 231 G C 0.601 175.507 174.900 0.010 0.000 1.271 231 G CA 1.642 46.723 45.100 -0.032 0.000 0.789 231 G HN 1.318 nan 8.290 nan 0.000 0.659 232 T N 2.326 116.919 114.554 0.066 0.000 2.977 232 T HA 0.541 4.892 4.350 0.000 0.000 0.346 232 T C -2.863 171.924 174.700 0.146 0.000 1.140 232 T CA -1.037 61.126 62.100 0.106 0.000 1.040 232 T CB 2.282 71.220 68.868 0.117 0.000 1.046 232 T HN 0.071 nan 8.240 nan 0.000 0.494 233 P HA 0.415 nan 4.420 nan 0.000 0.281 233 P C -0.765 176.574 177.300 0.064 0.000 1.252 233 P CA -0.486 62.648 63.100 0.058 0.000 0.778 233 P CB 0.817 32.536 31.700 0.031 0.000 0.895 234 V N 5.237 125.178 119.914 0.044 0.000 2.604 234 V HA 0.493 4.614 4.120 0.000 0.000 0.305 234 V C -2.083 174.020 176.094 0.016 0.000 1.043 234 V CA -2.096 60.226 62.300 0.037 0.000 0.888 234 V CB 1.954 33.792 31.823 0.025 0.000 0.995 234 V HN 0.550 nan 8.190 nan 0.000 0.429 235 P HA 0.396 nan 4.420 nan 0.000 0.282 235 P C 0.326 177.632 177.300 0.010 0.000 1.249 235 P CA 0.275 63.383 63.100 0.013 0.000 0.806 235 P CB 1.558 33.267 31.700 0.015 0.000 0.984 236 G N 1.008 109.813 108.800 0.007 0.000 2.467 236 G HA2 0.012 3.973 3.960 0.000 0.000 0.242 236 G HA3 0.012 3.973 3.960 0.000 0.000 0.242 236 G C 0.289 175.192 174.900 0.004 0.000 1.127 236 G CA -0.390 44.714 45.100 0.008 0.000 0.924 236 G HN 0.834 nan 8.290 nan 0.000 0.499 237 G N -1.042 107.759 108.800 0.001 0.000 2.543 237 G HA2 0.729 4.689 3.960 0.000 0.000 0.267 237 G HA3 0.729 4.689 3.960 0.000 0.000 0.267 237 G C 0.559 175.460 174.900 0.002 0.000 1.406 237 G CA -1.133 43.964 45.100 -0.005 0.000 1.048 237 G HN 0.748 nan 8.290 nan 0.000 0.548 238 L N 0.890 122.110 121.223 -0.004 0.000 2.397 238 L HA 0.273 4.613 4.340 0.000 0.000 0.271 238 L C 1.583 178.464 176.870 0.018 0.000 1.148 238 L CA -0.734 54.105 54.840 -0.001 0.000 0.825 238 L CB 0.896 42.941 42.059 -0.022 0.000 1.117 238 L HN 0.749 nan 8.230 nan 0.000 0.456 239 T N -1.435 113.139 114.554 0.034 0.000 2.681 239 T HA -0.067 4.283 4.350 0.000 0.000 0.333 239 T C 0.914 175.683 174.700 0.115 0.000 1.049 239 T CA 0.136 62.281 62.100 0.074 0.000 1.002 239 T CB 0.316 69.231 68.868 0.078 0.000 1.161 239 T HN 0.548 nan 8.240 nan 0.000 0.519 240 Y N 0.841 121.156 120.300 0.024 0.000 2.184 240 Y HA 0.081 4.631 4.550 0.000 0.000 0.290 240 Y C 2.869 178.834 175.900 0.108 0.000 1.129 240 Y CA 1.201 59.334 58.100 0.056 0.000 1.144 240 Y CB -0.266 38.241 38.460 0.079 0.000 0.995 240 Y HN 0.526 nan 8.280 nan 0.000 0.513 241 R N 0.523 121.132 120.500 0.182 0.000 2.070 241 R HA -0.163 4.177 4.340 0.000 0.000 0.233 241 R C 2.198 178.504 176.300 0.010 0.000 1.137 241 R CA 1.996 58.142 56.100 0.077 0.000 0.945 241 R CB -0.428 29.941 30.300 0.115 0.000 0.845 241 R HN 0.463 nan 8.270 nan 0.000 0.430 242 E N 0.464 120.671 120.200 0.012 0.000 2.136 242 E HA -0.295 4.055 4.350 0.000 0.000 0.202 242 E C 2.029 178.598 176.600 -0.052 0.000 1.019 242 E CA 1.467 57.859 56.400 -0.014 0.000 0.819 242 E CB -0.239 29.457 29.700 -0.007 0.000 0.739 242 E HN 0.428 nan 8.360 nan 0.000 0.458 243 A N 1.548 124.310 122.820 -0.098 0.000 1.845 243 A HA -0.216 4.104 4.320 0.000 0.000 0.215 243 A C 1.984 179.443 177.584 -0.210 0.000 1.195 243 A CA 1.504 53.436 52.037 -0.176 0.000 0.616 243 A CB -0.812 18.034 19.000 -0.257 0.000 0.832 243 A HN 0.267 nan 8.150 nan 0.000 0.443 244 H N -0.990 117.942 119.070 -0.229 0.000 2.353 244 H HA -0.149 4.407 4.556 0.000 0.000 0.298 244 H C 2.120 177.370 175.328 -0.129 0.000 1.103 244 H CA 1.945 57.863 56.048 -0.217 0.000 1.293 244 H CB -0.466 29.109 29.762 -0.312 0.000 1.372 244 H HN 0.390 nan 8.280 nan 0.000 0.501 245 L N 0.855 122.090 121.223 0.020 0.000 1.989 245 L HA -0.160 4.180 4.340 0.000 0.000 0.211 245 L C 2.472 179.330 176.870 -0.021 0.000 1.071 245 L CA 1.284 56.123 54.840 -0.001 0.000 0.749 245 L CB -1.071 40.984 42.059 -0.007 0.000 0.890 245 L HN 0.142 nan 8.230 nan 0.000 0.431 246 L N -0.899 120.299 121.223 -0.041 0.000 2.013 246 L HA -0.263 4.078 4.340 0.000 0.000 0.212 246 L C 2.359 179.202 176.870 -0.045 0.000 1.073 246 L CA 2.085 56.896 54.840 -0.049 0.000 0.753 246 L CB -0.715 41.306 42.059 -0.062 0.000 0.890 246 L HN 0.310 nan 8.230 nan 0.000 0.432 247 M N -0.783 118.782 119.600 -0.058 0.000 2.099 247 M HA -0.164 4.316 4.480 0.000 0.000 0.262 247 M C 2.206 178.494 176.300 -0.020 0.000 1.067 247 M CA 1.490 56.760 55.300 -0.050 0.000 1.124 247 M CB -1.253 31.300 32.600 -0.079 0.000 1.353 247 M HN 0.341 nan 8.290 nan 0.000 0.410 248 E N -0.001 120.197 120.200 -0.003 0.000 2.058 248 E HA -0.203 4.147 4.350 0.000 0.000 0.194 248 E C 2.043 178.638 176.600 -0.008 0.000 0.997 248 E CA 1.124 57.525 56.400 0.001 0.000 0.801 248 E CB -0.041 29.662 29.700 0.006 0.000 0.746 248 E HN 0.287 nan 8.360 nan 0.000 0.450 249 I N 1.023 121.586 120.570 -0.011 0.000 2.113 249 I HA -0.253 3.917 4.170 0.000 0.000 0.238 249 I C 2.491 178.604 176.117 -0.006 0.000 1.070 249 I CA 1.273 62.566 61.300 -0.012 0.000 1.332 249 I CB -1.162 36.827 38.000 -0.018 0.000 1.044 249 I HN 0.206 nan 8.210 nan 0.000 0.402 250 L N 0.576 121.795 121.223 -0.007 0.000 2.189 250 L HA -0.248 4.093 4.340 0.000 0.000 0.214 250 L C 2.645 179.523 176.870 0.014 0.000 1.097 250 L CA 1.250 56.094 54.840 0.006 0.000 0.764 250 L CB -0.603 41.459 42.059 0.005 0.000 0.900 250 L HN 0.257 nan 8.230 nan 0.000 0.436 251 A N -0.348 122.475 122.820 0.005 0.000 1.872 251 A HA -0.221 4.100 4.320 0.000 0.000 0.214 251 A C 2.105 179.696 177.584 0.011 0.000 1.187 251 A CA 1.359 53.400 52.037 0.007 0.000 0.614 251 A CB -0.405 18.591 19.000 -0.005 0.000 0.826 251 A HN 0.375 nan 8.150 nan 0.000 0.442 252 E N 0.550 120.751 120.200 0.002 0.000 2.095 252 E HA -0.281 4.069 4.350 0.000 0.000 0.212 252 E C 1.955 178.560 176.600 0.007 0.000 1.044 252 E CA 2.391 58.790 56.400 -0.002 0.000 0.857 252 E CB -0.230 29.465 29.700 -0.008 0.000 0.764 252 E HN 0.728 nan 8.360 nan 0.000 0.462 253 S N -0.513 115.196 115.700 0.014 0.000 2.626 253 S HA -0.063 4.408 4.470 0.000 0.000 0.245 253 S C 1.560 176.180 174.600 0.034 0.000 0.973 253 S CA 0.779 58.992 58.200 0.023 0.000 0.959 253 S CB -0.742 62.474 63.200 0.027 0.000 0.762 253 S HN 0.601 nan 8.310 nan 0.000 0.539 254 G N 2.354 111.176 108.800 0.037 0.000 2.352 254 G HA2 -0.368 3.592 3.960 0.000 0.000 0.295 254 G HA3 -0.368 3.592 3.960 0.000 0.000 0.295 254 G C 0.584 175.528 174.900 0.074 0.000 0.991 254 G CA 0.835 45.966 45.100 0.052 0.000 0.796 254 G HN 0.875 nan 8.290 nan 0.000 0.511 255 R N -1.540 119.007 120.500 0.079 0.000 2.596 255 R HA 0.533 4.873 4.340 0.000 0.000 0.369 255 R C 0.152 176.520 176.300 0.113 0.000 1.042 255 R CA -0.587 55.567 56.100 0.089 0.000 1.120 255 R CB 0.568 30.908 30.300 0.067 0.000 1.353 255 R HN 0.178 nan 8.270 nan 0.000 0.564 256 V N 2.656 122.660 119.914 0.151 0.000 2.614 256 V HA 0.031 4.151 4.120 0.000 0.000 0.291 256 V C 0.743 177.020 176.094 0.305 0.000 1.049 256 V CA 0.158 62.579 62.300 0.202 0.000 1.038 256 V CB 1.447 33.398 31.823 0.214 0.000 0.980 256 V HN 0.539 nan 8.190 nan 0.000 0.481 257 Q N 2.781 122.641 119.800 0.100 0.000 2.179 257 Q HA 0.335 4.675 4.340 0.000 0.000 0.244 257 Q C 0.067 175.377 176.000 -1.149 0.000 0.808 257 Q CA -0.070 55.555 55.803 -0.296 0.000 0.955 257 Q CB 1.043 29.695 28.738 -0.143 0.000 1.141 257 Q HN 0.670 nan 8.270 nan 0.000 0.485 258 S N 0.163 115.500 115.700 -0.605 0.000 2.537 258 S HA 0.732 5.202 4.470 0.000 0.000 0.271 258 S C -1.472 172.944 174.600 -0.308 0.000 1.148 258 S CA -0.925 56.967 58.200 -0.514 0.000 0.868 258 S CB 2.020 65.173 63.200 -0.079 0.000 1.115 258 S HN 0.371 nan 8.310 nan 0.000 0.461 259 L N 0.408 121.541 121.223 -0.151 0.000 2.506 259 L HA 0.801 5.141 4.340 0.000 0.000 0.257 259 L C -2.266 174.537 176.870 -0.112 0.000 0.964 259 L CA -0.287 54.437 54.840 -0.194 0.000 0.836 259 L CB 2.153 44.222 42.059 0.017 0.000 1.384 259 L HN 0.824 nan 8.230 nan 0.000 0.410 260 D N 5.016 125.335 120.400 -0.135 0.000 2.498 260 D HA 0.429 5.069 4.640 0.000 0.000 0.247 260 D C -0.711 175.521 176.300 -0.113 0.000 1.070 260 D CA -0.057 53.902 54.000 -0.068 0.000 0.842 260 D CB 2.656 43.448 40.800 -0.015 0.000 1.361 260 D HN 0.545 nan 8.370 nan 0.000 0.484 261 L N 1.741 122.906 121.223 -0.097 0.000 2.603 261 L HA 0.218 4.558 4.340 0.000 0.000 0.242 261 L C 0.398 177.187 176.870 -0.135 0.000 1.169 261 L CA -0.858 53.911 54.840 -0.118 0.000 1.029 261 L CB 0.722 42.731 42.059 -0.084 0.000 1.361 261 L HN 0.197 nan 8.230 nan 0.000 0.439 262 V N -1.599 118.190 119.914 -0.208 0.000 2.953 262 V HA 0.444 4.565 4.120 0.000 0.000 0.304 262 V C 0.816 176.768 176.094 -0.236 0.000 1.073 262 V CA -0.342 61.819 62.300 -0.232 0.000 1.064 262 V CB 1.327 32.940 31.823 -0.350 0.000 1.047 262 V HN 0.776 nan 8.190 nan 0.000 0.478 263 E N -0.233 119.861 120.200 -0.177 0.000 3.413 263 E HA -0.151 4.199 4.350 0.000 0.000 0.300 263 E C -0.030 176.507 176.600 -0.106 0.000 0.891 263 E CA 0.825 57.138 56.400 -0.146 0.000 1.050 263 E CB -1.714 27.884 29.700 -0.171 0.000 1.534 263 E HN 0.723 nan 8.360 nan 0.000 0.436 264 V N 1.821 121.681 119.914 -0.089 0.000 2.572 264 V HA 0.141 4.261 4.120 0.000 0.000 0.291 264 V C 0.796 176.856 176.094 -0.057 0.000 1.039 264 V CA 0.055 62.316 62.300 -0.064 0.000 1.055 264 V CB 1.212 33.006 31.823 -0.049 0.000 0.969 264 V HN 0.139 nan 8.190 nan 0.000 0.482 265 N N 6.347 125.018 118.700 -0.049 0.000 2.696 265 N HA 0.376 5.116 4.740 0.000 0.000 0.246 265 N C -2.093 173.394 175.510 -0.038 0.000 1.057 265 N CA -1.988 51.034 53.050 -0.046 0.000 0.867 265 N CB 2.245 40.704 38.487 -0.047 0.000 1.141 265 N HN 0.204 nan 8.380 nan 0.000 0.517 266 P HA -0.035 nan 4.420 nan 0.000 0.218 266 P C 1.403 178.680 177.300 -0.039 0.000 1.149 266 P CA 0.467 63.544 63.100 -0.039 0.000 0.817 266 P CB 0.536 32.206 31.700 -0.050 0.000 0.785 267 I N -1.729 118.818 120.570 -0.039 0.000 2.394 267 I HA -0.153 4.018 4.170 0.000 0.000 0.251 267 I C 1.828 177.929 176.117 -0.027 0.000 1.136 267 I CA 1.509 62.789 61.300 -0.034 0.000 1.425 267 I CB -0.787 37.193 38.000 -0.034 0.000 1.079 267 I HN -0.114 nan 8.210 nan 0.000 0.425 268 L N -0.738 120.470 121.223 -0.026 0.000 2.640 268 L HA 0.150 4.491 4.340 0.000 0.000 0.230 268 L C 0.431 177.290 176.870 -0.018 0.000 1.123 268 L CA 0.075 54.903 54.840 -0.020 0.000 0.900 268 L CB -0.097 41.950 42.059 -0.019 0.000 1.146 268 L HN 0.055 nan 8.230 nan 0.000 0.484 269 D N 0.029 120.416 120.400 -0.021 0.000 2.388 269 D HA 0.155 4.795 4.640 0.000 0.000 0.254 269 D C -0.373 175.917 176.300 -0.017 0.000 1.111 269 D CA -0.231 53.758 54.000 -0.018 0.000 0.993 269 D CB 1.040 41.828 40.800 -0.020 0.000 1.118 269 D HN -0.042 nan 8.370 nan 0.000 0.502 270 E N 1.270 121.461 120.200 -0.014 0.000 2.173 270 E HA 0.285 4.635 4.350 0.000 0.000 0.249 270 E C -0.501 176.092 176.600 -0.012 0.000 0.923 270 E CA -0.384 56.008 56.400 -0.013 0.000 0.754 270 E CB 0.398 30.091 29.700 -0.012 0.000 1.177 270 E HN 0.322 nan 8.360 nan 0.000 0.430 271 R N 2.593 123.085 120.500 -0.014 0.000 3.322 271 R HA -0.204 4.136 4.340 0.000 0.000 0.266 271 R C -0.166 176.131 176.300 -0.005 0.000 1.072 271 R CA 0.301 56.395 56.100 -0.011 0.000 0.715 271 R CB -1.988 28.307 30.300 -0.009 0.000 1.199 271 R HN 0.720 nan 8.270 nan 0.000 0.421 272 N N 0.446 119.141 118.700 -0.008 0.000 2.693 272 N HA -0.241 4.499 4.740 0.000 0.000 0.250 272 N C 1.222 176.738 175.510 0.010 0.000 1.033 272 N CA 1.789 54.839 53.050 -0.000 0.000 0.747 272 N CB -0.191 38.301 38.487 0.008 0.000 0.964 272 N HN 0.765 nan 8.380 nan 0.000 0.540 273 R N -3.145 117.358 120.500 0.005 0.000 2.173 273 R HA 0.114 4.454 4.340 0.000 0.000 0.208 273 R C 1.486 177.795 176.300 0.015 0.000 1.035 273 R CA 1.244 57.350 56.100 0.011 0.000 1.004 273 R CB -0.503 29.798 30.300 0.002 0.000 0.917 273 R HN 0.082 nan 8.270 nan 0.000 0.462 274 T N 0.787 115.343 114.554 0.005 0.000 2.962 274 T HA 0.010 4.360 4.350 0.000 0.000 0.270 274 T C 1.803 176.501 174.700 -0.002 0.000 1.088 274 T CA 1.314 63.414 62.100 -0.000 0.000 1.127 274 T CB 0.033 68.894 68.868 -0.012 0.000 0.883 274 T HN 0.507 nan 8.240 nan 0.000 0.493 275 A N 1.392 124.214 122.820 0.003 0.000 1.871 275 A HA 0.077 4.397 4.320 0.000 0.000 0.211 275 A C 2.109 179.703 177.584 0.018 0.000 1.207 275 A CA 0.797 52.837 52.037 0.005 0.000 0.620 275 A CB -0.430 18.579 19.000 0.015 0.000 0.860 275 A HN 0.431 nan 8.150 nan 0.000 0.450 276 E N -0.994 119.224 120.200 0.030 0.000 2.169 276 E HA -0.325 4.025 4.350 0.000 0.000 0.202 276 E C 1.888 178.524 176.600 0.059 0.000 1.016 276 E CA 1.781 58.208 56.400 0.044 0.000 0.817 276 E CB -0.302 29.425 29.700 0.045 0.000 0.736 276 E HN 0.553 nan 8.360 nan 0.000 0.462 277 M N 0.380 120.015 119.600 0.058 0.000 2.115 277 M HA -0.211 4.269 4.480 0.000 0.000 0.258 277 M C 1.962 178.271 176.300 0.016 0.000 1.071 277 M CA 1.604 56.949 55.300 0.074 0.000 1.100 277 M CB -0.361 32.269 32.600 0.049 0.000 1.292 277 M HN 0.064 nan 8.290 nan 0.000 0.415 278 L N -0.945 120.266 121.223 -0.021 0.000 2.141 278 L HA -0.128 4.212 4.340 0.000 0.000 0.209 278 L C 2.299 179.141 176.870 -0.047 0.000 1.094 278 L CA 0.978 55.782 54.840 -0.059 0.000 0.763 278 L CB -0.901 41.117 42.059 -0.068 0.000 0.908 278 L HN 0.187 nan 8.230 nan 0.000 0.437 279 V N -0.313 119.593 119.914 -0.014 0.000 2.287 279 V HA -0.276 3.844 4.120 0.000 0.000 0.248 279 V C 2.546 178.644 176.094 0.007 0.000 1.053 279 V CA 2.024 64.319 62.300 -0.007 0.000 1.027 279 V CB -1.471 30.359 31.823 0.011 0.000 0.646 279 V HN 0.576 nan 8.190 nan 0.000 0.447 280 G N -0.257 108.572 108.800 0.049 0.000 2.480 280 G HA2 -0.241 3.720 3.960 0.000 0.000 0.216 280 G HA3 -0.241 3.720 3.960 0.000 0.000 0.216 280 G C 1.549 176.498 174.900 0.081 0.000 1.200 280 G CA 1.013 46.187 45.100 0.123 0.000 0.782 280 G HN 0.476 nan 8.290 nan 0.000 0.554 281 L N 0.877 122.033 121.223 -0.112 0.000 2.349 281 L HA -0.060 4.280 4.340 0.000 0.000 0.220 281 L C 3.240 180.030 176.870 -0.134 0.000 1.130 281 L CA 0.669 55.346 54.840 -0.272 0.000 0.791 281 L CB -0.220 41.621 42.059 -0.363 0.000 0.918 281 L HN 0.346 nan 8.230 nan 0.000 0.444 282 A N 0.033 122.801 122.820 -0.088 0.000 1.898 282 A HA -0.065 4.255 4.320 0.000 0.000 0.214 282 A C 2.188 179.724 177.584 -0.080 0.000 1.183 282 A CA 0.824 52.805 52.037 -0.093 0.000 0.622 282 A CB -0.446 18.500 19.000 -0.089 0.000 0.824 282 A HN 0.324 nan 8.150 nan 0.000 0.444 283 L N -0.461 120.743 121.223 -0.031 0.000 2.079 283 L HA -0.180 4.160 4.340 0.000 0.000 0.210 283 L C 2.833 179.709 176.870 0.009 0.000 1.081 283 L CA 1.421 56.258 54.840 -0.003 0.000 0.752 283 L CB -0.564 41.514 42.059 0.031 0.000 0.896 283 L HN 0.330 nan 8.230 nan 0.000 0.433 284 S N 0.017 115.739 115.700 0.036 0.000 2.348 284 S HA -0.164 4.307 4.470 0.000 0.000 0.221 284 S C 1.851 176.447 174.600 -0.005 0.000 1.033 284 S CA 1.236 59.464 58.200 0.046 0.000 1.010 284 S CB -0.267 63.010 63.200 0.128 0.000 0.891 284 S HN 0.209 nan 8.310 nan 0.000 0.442 285 L N 0.849 122.048 121.223 -0.040 0.000 2.191 285 L HA 0.124 4.464 4.340 0.000 0.000 0.212 285 L C 1.336 178.151 176.870 -0.093 0.000 1.103 285 L CA 1.291 56.096 54.840 -0.058 0.000 0.769 285 L CB -0.419 41.597 42.059 -0.072 0.000 0.908 285 L HN 0.243 nan 8.230 nan 0.000 0.438 286 L N -0.545 120.606 121.223 -0.120 0.000 2.737 286 L HA 0.365 4.705 4.340 0.000 0.000 0.236 286 L C 1.290 178.171 176.870 0.018 0.000 1.219 286 L CA 0.757 55.500 54.840 -0.162 0.000 1.021 286 L CB -0.294 41.592 42.059 -0.289 0.000 1.291 286 L HN 0.381 nan 8.230 nan 0.000 0.470 287 G N -1.200 107.604 108.800 0.007 0.000 2.313 287 G HA2 -0.280 3.680 3.960 0.000 0.000 0.215 287 G HA3 -0.280 3.680 3.960 0.000 0.000 0.215 287 G C 0.709 175.615 174.900 0.010 0.000 1.023 287 G CA 0.015 45.127 45.100 0.020 0.000 0.626 287 G HN 0.304 nan 8.290 nan 0.000 0.503 288 K N 0.898 121.310 120.400 0.021 0.000 2.494 288 K HA 0.489 4.809 4.320 0.000 0.000 0.273 288 K C 0.375 176.979 176.600 0.008 0.000 0.970 288 K CA 0.451 56.747 56.287 0.015 0.000 0.963 288 K CB 0.194 32.708 32.500 0.023 0.000 0.913 288 K HN 0.424 nan 8.250 nan 0.000 0.502 289 R N 2.179 122.685 120.500 0.010 0.000 2.692 289 R HA 0.212 4.552 4.340 0.000 0.000 0.269 289 R C 0.919 177.241 176.300 0.037 0.000 1.030 289 R CA -0.841 55.267 56.100 0.014 0.000 0.882 289 R CB 0.673 30.979 30.300 0.009 0.000 1.250 289 R HN 0.443 nan 8.270 nan 0.000 0.465 290 I N 1.100 121.696 120.570 0.043 0.000 2.163 290 I HA -0.163 4.007 4.170 0.000 0.000 0.243 290 I C 1.070 177.275 176.117 0.145 0.000 1.085 290 I CA 1.922 63.259 61.300 0.062 0.000 1.347 290 I CB -0.283 37.752 38.000 0.057 0.000 1.044 290 I HN 0.433 nan 8.210 nan 0.000 0.408 291 F N 0.000 119.936 119.950 -0.023 0.000 2.286 291 F HA 0.000 4.527 4.527 0.000 0.000 0.279 291 F CA 0.000 57.989 58.000 -0.019 0.000 1.383 291 F CB 0.000 38.990 39.000 -0.016 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574