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_E 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 0.000 176.729 176.600 0.216 0.000 1.382 2 E CA 0.000 56.445 56.400 0.075 0.000 0.976 2 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 3 R N 1.216 121.847 120.500 0.218 0.000 2.445 3 R HA 0.696 5.035 4.340 -0.000 0.000 0.308 3 R C -1.361 175.046 176.300 0.178 0.000 0.961 3 R CA -0.762 55.442 56.100 0.173 0.000 0.862 3 R CB 2.624 32.992 30.300 0.113 0.000 1.144 3 R HN -0.088 nan 8.270 nan 0.000 0.447 4 V N 2.188 122.172 119.914 0.115 0.000 2.577 4 V HA 0.539 4.658 4.120 -0.000 0.000 0.303 4 V C -0.777 175.350 176.094 0.055 0.000 1.042 4 V CA -0.698 61.640 62.300 0.063 0.000 0.872 4 V CB 1.891 33.642 31.823 -0.120 0.000 0.998 4 V HN 0.906 nan 8.190 nan 0.000 0.423 5 A N 5.105 127.967 122.820 0.069 0.000 2.303 5 A HA 0.851 5.171 4.320 -0.000 0.000 0.320 5 A C -0.862 176.739 177.584 0.029 0.000 1.192 5 A CA -0.486 51.575 52.037 0.040 0.000 0.821 5 A CB 1.426 20.447 19.000 0.035 0.000 1.188 5 A HN 0.651 nan 8.150 nan 0.000 0.492 6 V N 3.008 122.930 119.914 0.013 0.000 2.459 6 V HA 0.594 4.714 4.120 -0.000 0.000 0.295 6 V C -0.368 175.726 176.094 -0.000 0.000 1.029 6 V CA -0.456 61.846 62.300 0.004 0.000 0.874 6 V CB 1.489 33.307 31.823 -0.008 0.000 0.985 6 V HN 0.824 nan 8.190 nan 0.000 0.438 7 V N 4.606 124.520 119.914 -0.001 0.000 2.709 7 V HA 0.935 5.055 4.120 -0.000 0.000 0.308 7 V C 0.226 176.317 176.094 -0.005 0.000 1.062 7 V CA 0.106 62.405 62.300 -0.001 0.000 0.901 7 V CB 1.956 33.781 31.823 0.003 0.000 1.003 7 V HN 0.939 nan 8.190 nan 0.000 0.425 8 G N 3.863 112.660 108.800 -0.006 0.000 2.434 8 G HA2 0.603 4.563 3.960 -0.000 0.000 0.330 8 G HA3 0.603 4.563 3.960 -0.000 0.000 0.330 8 G C -1.126 173.771 174.900 -0.006 0.000 1.155 8 G CA -0.523 44.572 45.100 -0.008 0.000 0.917 8 G HN 1.040 nan 8.290 nan 0.000 0.493 9 V N 2.541 122.449 119.914 -0.010 0.000 2.465 9 V HA 0.254 4.374 4.120 -0.000 0.000 0.263 9 V C -2.174 173.911 176.094 -0.015 0.000 0.981 9 V CA -1.162 61.132 62.300 -0.010 0.000 0.838 9 V CB 1.653 33.471 31.823 -0.010 0.000 1.068 9 V HN 0.706 nan 8.190 nan 0.000 0.458 10 P HA 0.153 nan 4.420 nan 0.000 0.256 10 P C -0.461 176.822 177.300 -0.028 0.000 1.688 10 P CA 0.189 63.278 63.100 -0.018 0.000 1.162 10 P CB 0.451 32.145 31.700 -0.011 0.000 1.870 11 M N 2.891 122.471 119.600 -0.033 0.000 2.243 11 M HA 0.343 4.823 4.480 -0.000 0.000 0.324 11 M C -0.960 175.309 176.300 -0.051 0.000 1.031 11 M CA -0.389 54.885 55.300 -0.044 0.000 0.949 11 M CB 1.702 34.283 32.600 -0.031 0.000 1.615 11 M HN -0.153 nan 8.290 nan 0.000 0.430 12 D N 5.139 125.495 120.400 -0.073 0.000 2.945 12 D HA 0.340 4.980 4.640 -0.000 0.000 0.369 12 D C -0.986 175.251 176.300 -0.106 0.000 1.294 12 D CA -0.123 53.836 54.000 -0.068 0.000 0.778 12 D CB 0.348 41.114 40.800 -0.058 0.000 1.188 12 D HN 0.570 nan 8.370 nan 0.000 0.479 20 V N -0.344 119.544 119.914 -0.044 0.000 3.383 20 V HA -0.011 4.109 4.120 -0.000 0.000 0.272 20 V C 2.059 178.128 176.094 -0.043 0.000 1.181 20 V CA 1.475 63.744 62.300 -0.052 0.000 1.171 20 V CB -0.375 31.401 31.823 -0.079 0.000 0.800 20 V HN 0.636 nan 8.190 nan 0.000 0.515 21 D N 0.202 120.580 120.400 -0.037 0.000 2.347 21 D HA -0.125 4.515 4.640 -0.000 0.000 0.215 21 D C 1.681 177.970 176.300 -0.019 0.000 0.976 21 D CA 0.779 54.761 54.000 -0.031 0.000 0.884 21 D CB -0.104 40.675 40.800 -0.035 0.000 0.915 21 D HN 0.474 nan 8.370 nan 0.000 0.526 22 M N 0.130 119.720 119.600 -0.016 0.000 2.502 22 M HA 0.221 4.701 4.480 -0.000 0.000 0.243 22 M C 2.042 178.344 176.300 0.002 0.000 1.130 22 M CA 0.371 55.669 55.300 -0.004 0.000 1.055 22 M CB 0.529 33.123 32.600 -0.010 0.000 1.457 22 M HN 0.092 nan 8.290 nan 0.000 0.488 23 G N 2.285 111.078 108.800 -0.012 0.000 2.586 23 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 23 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 23 G C -1.031 173.871 174.900 0.003 0.000 1.216 23 G CA 0.869 45.961 45.100 -0.013 0.000 0.786 23 G HN 0.294 nan 8.290 nan 0.000 0.583 24 P HA -0.147 nan 4.420 nan 0.000 0.217 24 P C 2.365 179.687 177.300 0.036 0.000 1.158 24 P CA 2.096 65.200 63.100 0.007 0.000 0.887 24 P CB -0.185 31.515 31.700 0.001 0.000 0.792 25 S N -0.757 114.982 115.700 0.064 0.000 2.359 25 S HA -0.247 4.223 4.470 -0.000 0.000 0.222 25 S C 2.055 176.792 174.600 0.229 0.000 1.038 25 S CA 1.693 59.984 58.200 0.152 0.000 1.051 25 S CB -1.298 62.003 63.200 0.168 0.000 0.944 25 S HN 0.171 nan 8.310 nan 0.000 0.433 26 A N 1.320 124.225 122.820 0.141 0.000 1.892 26 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 26 A C 2.160 179.816 177.584 0.119 0.000 1.188 26 A CA 1.556 53.667 52.037 0.123 0.000 0.631 26 A CB -0.926 18.099 19.000 0.041 0.000 0.822 26 A HN 0.477 nan 8.150 nan 0.000 0.447 27 L N -1.227 120.034 121.223 0.063 0.000 2.079 27 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 27 L C 2.930 179.818 176.870 0.030 0.000 1.081 27 L CA 1.539 56.398 54.840 0.032 0.000 0.752 27 L CB -0.460 41.600 42.059 0.002 0.000 0.896 27 L HN 0.394 nan 8.230 nan 0.000 0.433 28 R N -1.282 119.233 120.500 0.025 0.000 2.073 28 R HA -0.147 4.193 4.340 -0.000 0.000 0.229 28 R C 2.255 178.508 176.300 -0.078 0.000 1.120 28 R CA 1.279 57.350 56.100 -0.048 0.000 0.967 28 R CB -0.405 29.833 30.300 -0.103 0.000 0.862 28 R HN 0.280 nan 8.270 nan 0.000 0.436 29 Y N 0.718 121.013 120.300 -0.008 0.000 2.333 29 Y HA -0.096 4.454 4.550 -0.000 0.000 0.290 29 Y C 2.180 178.078 175.900 -0.004 0.000 1.144 29 Y CA 1.103 59.200 58.100 -0.005 0.000 1.228 29 Y CB -0.129 38.328 38.460 -0.006 0.000 0.985 29 Y HN 0.087 nan 8.280 nan 0.000 0.542 30 A N 0.330 123.231 122.820 0.135 0.000 2.258 30 A HA 0.018 4.338 4.320 -0.000 0.000 0.206 30 A C 0.744 178.354 177.584 0.042 0.000 1.222 30 A CA 0.144 52.229 52.037 0.079 0.000 0.822 30 A CB -0.859 18.176 19.000 0.059 0.000 0.804 30 A HN 0.477 nan 8.150 nan 0.000 0.483 31 R N -2.241 118.272 120.500 0.021 0.000 3.336 31 R HA -0.216 4.124 4.340 -0.000 0.000 0.260 31 R C 0.729 177.025 176.300 -0.006 0.000 1.032 31 R CA 0.642 56.740 56.100 -0.004 0.000 0.693 31 R CB -2.489 27.815 30.300 0.007 0.000 1.134 31 R HN 0.538 nan 8.270 nan 0.000 0.433 32 L N 0.123 121.338 121.223 -0.013 0.000 1.994 32 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 32 L C 2.026 178.881 176.870 -0.025 0.000 1.071 32 L CA 1.851 56.679 54.840 -0.019 0.000 0.745 32 L CB -0.318 41.726 42.059 -0.025 0.000 0.892 32 L HN 0.432 nan 8.230 nan 0.000 0.431 33 L N -0.313 120.892 121.223 -0.029 0.000 1.955 33 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 33 L C 2.605 179.468 176.870 -0.011 0.000 1.072 33 L CA 1.872 56.697 54.840 -0.025 0.000 0.755 33 L CB -0.657 41.384 42.059 -0.031 0.000 0.888 33 L HN 0.271 nan 8.230 nan 0.000 0.432 34 E N -0.292 119.901 120.200 -0.013 0.000 2.086 34 E HA -0.310 4.040 4.350 -0.000 0.000 0.200 34 E C 2.159 178.764 176.600 0.009 0.000 1.012 34 E CA 1.707 58.105 56.400 -0.003 0.000 0.812 34 E CB -0.329 29.366 29.700 -0.007 0.000 0.743 34 E HN 0.523 nan 8.360 nan 0.000 0.453 35 Q N -0.196 119.608 119.800 0.008 0.000 2.167 35 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 35 Q C 2.336 178.355 176.000 0.032 0.000 0.970 35 Q CA 0.750 56.563 55.803 0.017 0.000 0.855 35 Q CB -0.109 28.637 28.738 0.013 0.000 0.911 35 Q HN 0.318 nan 8.270 nan 0.000 0.438 36 L N 0.763 121.999 121.223 0.021 0.000 2.046 36 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 36 L C 2.249 179.200 176.870 0.136 0.000 1.077 36 L CA 1.218 56.084 54.840 0.044 0.000 0.747 36 L CB -0.315 41.717 42.059 -0.045 0.000 0.896 36 L HN 0.280 nan 8.230 nan 0.000 0.432 37 E N -0.076 120.172 120.200 0.081 0.000 2.051 37 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 37 E C 1.662 178.295 176.600 0.055 0.000 0.991 37 E CA 1.334 57.778 56.400 0.074 0.000 0.799 37 E CB -0.170 29.554 29.700 0.039 0.000 0.748 37 E HN 0.434 nan 8.360 nan 0.000 0.449 38 D N 0.592 121.016 120.400 0.040 0.000 2.271 38 D HA -0.140 4.500 4.640 -0.000 0.000 0.207 38 D C 1.394 177.710 176.300 0.028 0.000 0.983 38 D CA 0.588 54.603 54.000 0.025 0.000 0.878 38 D CB -0.017 40.795 40.800 0.020 0.000 0.920 38 D HN 0.025 nan 8.370 nan 0.000 0.479 39 L N -0.978 120.284 121.223 0.065 0.000 2.612 39 L HA 0.268 4.607 4.340 -0.000 0.000 0.230 39 L C 1.523 178.379 176.870 -0.023 0.000 1.140 39 L CA 0.723 55.605 54.840 0.070 0.000 0.896 39 L CB -0.170 42.002 42.059 0.188 0.000 1.065 39 L HN 0.183 nan 8.230 nan 0.000 0.447 40 G N -2.233 106.546 108.800 -0.035 0.000 2.175 40 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.244 40 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.244 40 G C 0.196 174.995 174.900 -0.168 0.000 0.982 40 G CA 0.195 45.220 45.100 -0.126 0.000 0.641 40 G HN 0.298 nan 8.290 nan 0.000 0.527 41 Y N 1.461 121.741 120.300 -0.033 0.000 2.300 41 Y HA 0.529 5.079 4.550 -0.000 0.000 0.328 41 Y C 1.302 177.192 175.900 -0.018 0.000 1.270 41 Y CA 0.446 58.527 58.100 -0.032 0.000 1.352 41 Y CB 1.235 39.665 38.460 -0.050 0.000 1.286 41 Y HN 0.243 nan 8.280 nan 0.000 0.536 42 T N 0.090 114.752 114.554 0.180 0.000 2.767 42 T HA 0.688 5.038 4.350 -0.000 0.000 0.284 42 T C -1.051 173.708 174.700 0.099 0.000 0.973 42 T CA -0.730 61.430 62.100 0.100 0.000 0.996 42 T CB 0.192 69.103 68.868 0.071 0.000 0.927 42 T HN 0.356 nan 8.240 nan 0.000 0.456 43 V N 3.143 123.094 119.914 0.062 0.000 2.487 43 V HA 0.566 4.686 4.120 -0.000 0.000 0.298 43 V C -0.038 176.070 176.094 0.023 0.000 1.028 43 V CA -0.925 61.398 62.300 0.039 0.000 0.860 43 V CB 1.491 33.326 31.823 0.020 0.000 0.991 43 V HN 1.013 nan 8.190 nan 0.000 0.427 44 E N 2.429 122.642 120.200 0.022 0.000 2.171 44 E HA 0.306 4.655 4.350 -0.000 0.000 0.271 44 E C -1.434 175.170 176.600 0.006 0.000 0.916 44 E CA -0.605 55.804 56.400 0.014 0.000 0.774 44 E CB 1.605 31.317 29.700 0.020 0.000 1.128 44 E HN 0.772 nan 8.360 nan 0.000 0.403 45 D N 4.624 125.023 120.400 -0.002 0.000 2.317 45 D HA 0.142 4.782 4.640 -0.000 0.000 0.234 45 D C 0.531 176.829 176.300 -0.004 0.000 1.112 45 D CA -0.242 53.753 54.000 -0.008 0.000 0.840 45 D CB 1.038 41.827 40.800 -0.019 0.000 1.078 45 D HN 0.505 nan 8.370 nan 0.000 0.486 46 L N 3.254 124.477 121.223 -0.001 0.000 2.627 46 L HA 0.260 4.600 4.340 -0.000 0.000 0.232 46 L C 1.506 178.376 176.870 -0.001 0.000 1.150 46 L CA -0.083 54.758 54.840 0.002 0.000 0.917 46 L CB -0.760 41.303 42.059 0.006 0.000 1.104 46 L HN 0.600 nan 8.230 nan 0.000 0.445 47 G N 0.689 109.486 108.800 -0.005 0.000 2.752 47 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.234 47 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.234 47 G C -0.731 174.168 174.900 -0.003 0.000 1.367 47 G CA -0.592 44.505 45.100 -0.006 0.000 0.879 47 G HN 0.250 nan 8.290 nan 0.000 0.563 48 D N -0.515 119.884 120.400 -0.002 0.000 2.175 48 D HA 0.467 5.107 4.640 -0.000 0.000 0.248 48 D C 0.538 176.840 176.300 0.002 0.000 1.047 48 D CA -0.354 53.646 54.000 -0.000 0.000 0.883 48 D CB 1.744 42.544 40.800 -0.000 0.000 1.180 48 D HN 0.378 nan 8.370 nan 0.000 0.438 49 V N 4.091 124.007 119.914 0.003 0.000 2.470 49 V HA 0.119 4.239 4.120 -0.000 0.000 0.276 49 V C -1.824 174.273 176.094 0.005 0.000 1.040 49 V CA -1.168 61.136 62.300 0.007 0.000 1.008 49 V CB 0.618 32.447 31.823 0.009 0.000 0.990 49 V HN 0.411 nan 8.190 nan 0.000 0.477 50 P HA 0.034 nan 4.420 nan 0.000 0.264 50 P C -0.586 176.716 177.300 0.003 0.000 1.179 50 P CA 0.228 63.331 63.100 0.005 0.000 0.763 50 P CB 0.405 32.110 31.700 0.009 0.000 0.806 51 V N 1.794 121.706 119.914 -0.004 0.000 2.465 51 V HA 0.390 4.510 4.120 -0.000 0.000 0.263 51 V C 0.746 176.831 176.094 -0.016 0.000 0.981 51 V CA -0.054 62.239 62.300 -0.012 0.000 0.838 51 V CB 0.484 32.293 31.823 -0.024 0.000 1.068 51 V HN 0.759 nan 8.190 nan 0.000 0.458 65 A N 0.167 122.935 122.820 -0.087 0.000 2.563 65 A HA 0.143 4.463 4.320 -0.000 0.000 0.256 65 A C -0.187 177.387 177.584 -0.016 0.000 1.056 65 A CA 0.951 52.889 52.037 -0.165 0.000 0.775 65 A CB -1.212 17.736 19.000 -0.086 0.000 0.973 65 A HN 0.634 nan 8.150 nan 0.000 0.516 66 Y N -0.519 119.770 120.300 -0.019 0.000 4.851 66 Y HA -0.305 4.245 4.550 -0.000 0.000 0.235 66 Y C 1.337 177.220 175.900 -0.027 0.000 0.998 66 Y CA 0.834 58.925 58.100 -0.014 0.000 1.980 66 Y CB -2.325 36.135 38.460 -0.000 0.000 1.561 66 Y HN 0.652 nan 8.280 nan 0.000 0.585 67 L N 0.411 121.664 121.223 0.050 0.000 2.085 67 L HA -0.345 3.995 4.340 -0.000 0.000 0.218 67 L C 2.330 179.196 176.870 -0.006 0.000 1.080 67 L CA 2.363 57.186 54.840 -0.029 0.000 0.776 67 L CB -0.135 41.828 42.059 -0.161 0.000 0.891 67 L HN 0.290 nan 8.230 nan 0.000 0.437 68 E N -0.300 119.908 120.200 0.014 0.000 2.107 68 E HA -0.202 4.147 4.350 -0.000 0.000 0.191 68 E C 2.102 178.741 176.600 0.065 0.000 0.982 68 E CA 1.260 57.679 56.400 0.032 0.000 0.809 68 E CB -0.009 29.707 29.700 0.026 0.000 0.756 68 E HN 0.626 nan 8.360 nan 0.000 0.459 69 E N 0.466 120.721 120.200 0.092 0.000 2.072 69 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 69 E C 2.030 178.668 176.600 0.064 0.000 0.982 69 E CA 0.320 56.769 56.400 0.082 0.000 0.803 69 E CB -0.203 29.555 29.700 0.096 0.000 0.755 69 E HN 0.105 nan 8.360 nan 0.000 0.453 70 I N 0.917 121.529 120.570 0.069 0.000 2.091 70 I HA -0.329 3.841 4.170 -0.000 0.000 0.239 70 I C 2.438 178.597 176.117 0.070 0.000 1.061 70 I CA 1.499 62.826 61.300 0.046 0.000 1.317 70 I CB -0.410 37.614 38.000 0.041 0.000 1.031 70 I HN 0.024 nan 8.210 nan 0.000 0.401 71 R N 0.510 121.079 120.500 0.115 0.000 2.119 71 R HA -0.283 4.056 4.340 -0.000 0.000 0.246 71 R C 2.199 178.628 176.300 0.216 0.000 1.146 71 R CA 1.896 58.135 56.100 0.233 0.000 0.962 71 R CB -0.392 30.011 30.300 0.171 0.000 0.863 71 R HN 0.435 nan 8.270 nan 0.000 0.442 72 A N 0.666 123.559 122.820 0.120 0.000 1.828 72 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 72 A C 2.424 180.064 177.584 0.093 0.000 1.203 72 A CA 1.888 53.980 52.037 0.092 0.000 0.614 72 A CB -1.259 17.777 19.000 0.061 0.000 0.844 72 A HN 0.554 nan 8.150 nan 0.000 0.445 73 A N -0.270 122.588 122.820 0.064 0.000 1.892 73 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 73 A C 2.553 180.168 177.584 0.052 0.000 1.188 73 A CA 2.940 55.002 52.037 0.043 0.000 0.631 73 A CB -1.341 17.670 19.000 0.018 0.000 0.822 73 A HN 1.284 nan 8.150 nan 0.000 0.447 74 A N -0.437 122.414 122.820 0.050 0.000 1.842 74 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 74 A C 2.136 179.808 177.584 0.147 0.000 1.206 74 A CA 2.059 54.093 52.037 -0.005 0.000 0.630 74 A CB -0.994 17.888 19.000 -0.196 0.000 0.839 74 A HN 0.965 nan 8.150 nan 0.000 0.447 75 L N 0.011 121.442 121.223 0.346 0.000 2.129 75 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 75 L C 2.354 179.316 176.870 0.154 0.000 1.087 75 L CA 1.971 57.003 54.840 0.320 0.000 0.757 75 L CB -0.568 41.622 42.059 0.220 0.000 0.896 75 L HN 0.183 nan 8.230 nan 0.000 0.434 76 V N -0.867 119.110 119.914 0.105 0.000 2.295 76 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 76 V C 2.462 178.591 176.094 0.058 0.000 1.049 76 V CA 1.630 63.969 62.300 0.065 0.000 1.024 76 V CB -0.682 31.169 31.823 0.046 0.000 0.648 76 V HN 0.500 nan 8.190 nan 0.000 0.447 77 L N 0.514 121.771 121.223 0.056 0.000 2.042 77 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 77 L C 2.455 179.356 176.870 0.052 0.000 1.076 77 L CA 2.364 57.228 54.840 0.040 0.000 0.749 77 L CB -0.771 41.301 42.059 0.021 0.000 0.893 77 L HN 0.312 nan 8.230 nan 0.000 0.432 78 K N -0.378 120.074 120.400 0.088 0.000 2.001 78 K HA -0.273 4.047 4.320 -0.000 0.000 0.214 78 K C 1.946 178.585 176.600 0.064 0.000 1.050 78 K CA 2.377 58.723 56.287 0.098 0.000 0.934 78 K CB -0.223 32.383 32.500 0.175 0.000 0.718 78 K HN 0.492 nan 8.250 nan 0.000 0.443 79 E N -0.265 119.970 120.200 0.059 0.000 2.072 79 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 79 E C 2.111 178.729 176.600 0.030 0.000 0.985 79 E CA 1.036 57.459 56.400 0.039 0.000 0.801 79 E CB -0.082 29.638 29.700 0.034 0.000 0.750 79 E HN 0.170 nan 8.360 nan 0.000 0.452 80 R N 1.109 121.627 120.500 0.031 0.000 2.096 80 R HA -0.132 4.208 4.340 -0.000 0.000 0.240 80 R C 2.030 178.342 176.300 0.020 0.000 1.139 80 R CA 1.430 57.544 56.100 0.023 0.000 0.952 80 R CB -0.542 29.771 30.300 0.022 0.000 0.854 80 R HN 0.187 nan 8.270 nan 0.000 0.436 81 L N -0.705 120.531 121.223 0.022 0.000 2.072 81 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 81 L C 2.403 179.281 176.870 0.014 0.000 1.079 81 L CA 1.303 56.152 54.840 0.015 0.000 0.752 81 L CB -0.651 41.417 42.059 0.014 0.000 0.906 81 L HN 0.353 nan 8.230 nan 0.000 0.436 82 A N -0.037 122.795 122.820 0.020 0.000 2.015 82 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 82 A C 2.274 179.867 177.584 0.016 0.000 1.163 82 A CA 1.372 53.419 52.037 0.018 0.000 0.646 82 A CB -0.465 18.549 19.000 0.023 0.000 0.806 82 A HN 0.393 nan 8.150 nan 0.000 0.448 83 A N -0.688 122.142 122.820 0.017 0.000 2.235 83 A HA 0.414 4.734 4.320 -0.000 0.000 0.208 83 A C 0.754 178.347 177.584 0.016 0.000 1.172 83 A CA -0.089 51.957 52.037 0.016 0.000 0.786 83 A CB -0.468 18.542 19.000 0.016 0.000 0.804 83 A HN 0.445 nan 8.150 nan 0.000 0.479 84 L N 0.418 121.651 121.223 0.015 0.000 2.375 84 L HA 0.311 4.651 4.340 -0.000 0.000 0.271 84 L C -2.120 174.762 176.870 0.019 0.000 1.107 84 L CA -2.176 52.674 54.840 0.017 0.000 0.806 84 L CB 0.259 42.328 42.059 0.016 0.000 1.146 84 L HN 0.009 nan 8.230 nan 0.000 0.447 85 P HA -0.057 nan 4.420 nan 0.000 0.269 85 P C -0.601 176.715 177.300 0.026 0.000 1.205 85 P CA -0.156 62.959 63.100 0.024 0.000 0.780 85 P CB 0.454 32.170 31.700 0.028 0.000 0.858 86 E N 0.329 120.545 120.200 0.026 0.000 2.383 86 E HA 0.360 4.710 4.350 -0.000 0.000 0.264 86 E C 1.134 177.758 176.600 0.039 0.000 1.050 86 E CA 0.875 57.291 56.400 0.028 0.000 0.896 86 E CB -0.311 29.405 29.700 0.026 0.000 0.982 86 E HN 0.667 nan 8.360 nan 0.000 0.424 87 G N 2.269 111.097 108.800 0.046 0.000 2.176 87 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.253 87 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.253 87 G C -0.088 174.870 174.900 0.096 0.000 0.979 87 G CA 0.097 45.240 45.100 0.071 0.000 0.641 87 G HN 0.511 nan 8.290 nan 0.000 0.530 88 V N 1.821 121.780 119.914 0.076 0.000 2.339 88 V HA 0.485 4.605 4.120 -0.000 0.000 0.261 88 V C 0.520 176.676 176.094 0.103 0.000 1.058 88 V CA -0.722 61.636 62.300 0.096 0.000 0.897 88 V CB 0.574 32.435 31.823 0.064 0.000 1.052 88 V HN 0.344 nan 8.190 nan 0.000 0.480 89 F N 10.297 130.251 119.950 0.008 0.000 2.571 89 F HA 0.225 4.752 4.527 -0.000 0.000 0.390 89 F C -1.625 174.150 175.800 -0.043 0.000 1.043 89 F CA -1.223 56.762 58.000 -0.025 0.000 1.164 89 F CB 0.706 39.667 39.000 -0.065 0.000 1.049 89 F HN 0.334 nan 8.300 nan 0.000 0.552 90 P HA 0.270 nan 4.420 nan 0.000 0.292 90 P C -1.085 176.182 177.300 -0.056 0.000 1.283 90 P CA -0.361 62.694 63.100 -0.076 0.000 0.835 90 P CB 2.031 33.674 31.700 -0.095 0.000 1.017 91 I N 3.570 124.153 120.570 0.021 0.000 2.439 91 I HA 0.211 4.380 4.170 -0.000 0.000 0.285 91 I C -0.134 175.982 176.117 -0.001 0.000 1.021 91 I CA -0.988 60.327 61.300 0.024 0.000 1.091 91 I CB 1.902 39.925 38.000 0.038 0.000 1.242 91 I HN 0.051 nan 8.210 nan 0.000 0.439 92 V N 6.914 126.823 119.914 -0.009 0.000 2.318 92 V HA 0.359 4.479 4.120 -0.000 0.000 0.271 92 V C 0.431 176.512 176.094 -0.021 0.000 1.030 92 V CA -0.644 61.653 62.300 -0.006 0.000 0.844 92 V CB 1.254 33.083 31.823 0.010 0.000 1.015 92 V HN 0.423 nan 8.190 nan 0.000 0.460 93 L N 4.928 126.138 121.223 -0.022 0.000 2.360 93 L HA 0.603 4.943 4.340 -0.000 0.000 0.276 93 L C 0.997 177.847 176.870 -0.033 0.000 1.121 93 L CA 0.326 55.147 54.840 -0.031 0.000 0.845 93 L CB 0.412 42.458 42.059 -0.022 0.000 1.143 93 L HN 0.735 nan 8.230 nan 0.000 0.452 94 G N 1.340 110.109 108.800 -0.051 0.000 2.735 94 G HA2 0.665 4.624 3.960 -0.000 0.000 0.301 94 G HA3 0.665 4.624 3.960 -0.000 0.000 0.301 94 G C 0.021 174.888 174.900 -0.055 0.000 1.279 94 G CA 0.063 45.132 45.100 -0.050 0.000 1.019 94 G HN 0.687 nan 8.290 nan 0.000 0.497 95 G N -1.120 107.650 108.800 -0.051 0.000 2.667 95 G HA2 0.358 4.318 3.960 -0.000 0.000 0.209 95 G HA3 0.358 4.318 3.960 -0.000 0.000 0.209 95 G C -0.551 174.307 174.900 -0.070 0.000 1.963 95 G CA -0.146 44.920 45.100 -0.057 0.000 0.728 95 G HN 0.492 nan 8.290 nan 0.000 0.807 96 D N -0.250 120.121 120.400 -0.049 0.000 2.362 96 D HA 0.167 4.807 4.640 -0.000 0.000 0.242 96 D C 0.513 176.848 176.300 0.059 0.000 1.132 96 D CA 0.045 54.023 54.000 -0.037 0.000 0.907 96 D CB 1.279 42.089 40.800 0.015 0.000 1.195 96 D HN 0.446 nan 8.370 nan 0.000 0.429 97 H N 0.100 119.165 119.070 -0.008 0.000 2.556 97 H HA -0.031 4.525 4.556 -0.000 0.000 0.268 97 H C 1.280 176.682 175.328 0.124 0.000 0.996 97 H CA 0.099 56.181 56.048 0.057 0.000 1.157 97 H CB 0.579 30.421 29.762 0.133 0.000 1.355 97 H HN 0.237 nan 8.280 nan 0.000 0.597 98 S N 0.905 116.734 115.700 0.215 0.000 2.383 98 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 98 S C 2.171 176.783 174.600 0.020 0.000 1.026 98 S CA 1.103 59.368 58.200 0.110 0.000 0.981 98 S CB -0.347 62.911 63.200 0.097 0.000 0.818 98 S HN 0.467 nan 8.310 nan 0.000 0.472 99 L N 1.892 123.137 121.223 0.036 0.000 2.081 99 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 99 L C 1.895 178.754 176.870 -0.019 0.000 1.080 99 L CA 1.720 56.553 54.840 -0.012 0.000 0.754 99 L CB -1.721 40.344 42.059 0.009 0.000 0.893 99 L HN 0.061 nan 8.230 nan 0.000 0.433 100 S N -0.334 115.407 115.700 0.069 0.000 2.420 100 S HA -0.179 4.291 4.470 -0.000 0.000 0.237 100 S C 1.872 176.467 174.600 -0.009 0.000 1.023 100 S CA 1.943 60.190 58.200 0.079 0.000 0.991 100 S CB -0.520 62.790 63.200 0.184 0.000 0.792 100 S HN 0.523 nan 8.310 nan 0.000 0.488 101 M N 0.637 120.169 119.600 -0.113 0.000 2.080 101 M HA -0.129 4.351 4.480 -0.000 0.000 0.260 101 M C 2.469 178.539 176.300 -0.384 0.000 1.068 101 M CA 1.809 56.923 55.300 -0.309 0.000 1.109 101 M CB -0.805 31.423 32.600 -0.620 0.000 1.342 101 M HN 0.490 nan 8.290 nan 0.000 0.405 102 G N -0.669 107.899 108.800 -0.387 0.000 2.396 102 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 102 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 102 G C 1.586 176.460 174.900 -0.043 0.000 1.166 102 G CA 0.908 45.907 45.100 -0.169 0.000 0.793 102 G HN 0.558 nan 8.290 nan 0.000 0.533 103 S N 0.474 116.142 115.700 -0.052 0.000 2.382 103 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 103 S C 2.270 176.811 174.600 -0.098 0.000 1.027 103 S CA 1.497 59.684 58.200 -0.022 0.000 0.991 103 S CB -0.492 62.730 63.200 0.037 0.000 0.823 103 S HN 0.083 nan 8.310 nan 0.000 0.469 104 V N 2.405 122.191 119.914 -0.212 0.000 2.379 104 V HA -0.017 4.103 4.120 -0.000 0.000 0.245 104 V C 3.154 179.177 176.094 -0.118 0.000 1.044 104 V CA 1.476 63.567 62.300 -0.348 0.000 1.036 104 V CB -1.479 30.167 31.823 -0.296 0.000 0.664 104 V HN 0.670 nan 8.190 nan 0.000 0.453 105 A N 0.642 123.448 122.820 -0.024 0.000 1.858 105 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 105 A C 2.412 180.020 177.584 0.040 0.000 1.190 105 A CA 2.043 54.113 52.037 0.054 0.000 0.617 105 A CB -1.356 17.750 19.000 0.178 0.000 0.827 105 A HN 0.497 nan 8.150 nan 0.000 0.443 106 G N -0.481 108.343 108.800 0.040 0.000 2.511 106 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 106 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 106 G C 1.729 176.638 174.900 0.015 0.000 1.218 106 G CA 1.605 46.726 45.100 0.034 0.000 0.788 106 G HN 0.956 nan 8.290 nan 0.000 0.560 107 A N 0.705 123.527 122.820 0.005 0.000 2.178 107 A HA 0.366 4.686 4.320 -0.000 0.000 0.218 107 A C 2.625 180.214 177.584 0.008 0.000 1.157 107 A CA 1.916 53.957 52.037 0.008 0.000 0.689 107 A CB -0.449 18.582 19.000 0.051 0.000 0.787 107 A HN 0.747 nan 8.150 nan 0.000 0.465 108 A N -0.838 121.983 122.820 0.003 0.000 1.897 108 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 108 A C 1.403 178.996 177.584 0.016 0.000 1.181 108 A CA 1.098 53.141 52.037 0.011 0.000 0.620 108 A CB -0.220 18.785 19.000 0.009 0.000 0.821 108 A HN 0.524 nan 8.150 nan 0.000 0.443 109 R N -2.692 117.818 120.500 0.016 0.000 3.418 109 R HA -0.178 4.162 4.340 -0.000 0.000 0.274 109 R C 0.919 177.229 176.300 0.017 0.000 1.108 109 R CA 0.515 56.625 56.100 0.016 0.000 0.741 109 R CB -2.341 27.967 30.300 0.014 0.000 1.223 109 R HN 1.640 nan 8.270 nan 0.000 0.434 110 G N -0.224 108.587 108.800 0.018 0.000 2.205 110 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.269 110 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.269 110 G C 0.277 175.187 174.900 0.017 0.000 0.977 110 G CA 1.026 46.136 45.100 0.017 0.000 0.652 110 G HN 0.440 nan 8.290 nan 0.000 0.539 111 R N 0.489 121.001 120.500 0.019 0.000 2.500 111 R HA 0.621 4.960 4.340 -0.000 0.000 0.277 111 R C 0.634 176.949 176.300 0.025 0.000 1.026 111 R CA -1.229 54.883 56.100 0.021 0.000 1.058 111 R CB 0.399 30.712 30.300 0.022 0.000 1.078 111 R HN 0.270 nan 8.270 nan 0.000 0.509 112 R N 3.272 123.788 120.500 0.026 0.000 2.267 112 R HA 0.350 4.690 4.340 -0.000 0.000 0.319 112 R C -0.700 175.624 176.300 0.040 0.000 1.067 112 R CA -0.343 55.776 56.100 0.031 0.000 0.936 112 R CB 0.203 30.519 30.300 0.027 0.000 1.006 112 R HN 0.503 nan 8.270 nan 0.000 0.452 113 V N 0.990 120.934 119.914 0.049 0.000 3.126 113 V HA 0.875 4.995 4.120 -0.000 0.000 0.314 113 V C -0.118 176.025 176.094 0.082 0.000 1.138 113 V CA -0.755 61.584 62.300 0.066 0.000 1.034 113 V CB 1.831 33.700 31.823 0.076 0.000 1.075 113 V HN 0.777 nan 8.190 nan 0.000 0.442 114 G N 0.086 108.947 108.800 0.102 0.000 2.400 114 G HA2 0.617 4.576 3.960 -0.000 0.000 0.333 114 G HA3 0.617 4.576 3.960 -0.000 0.000 0.333 114 G C -1.212 173.784 174.900 0.159 0.000 1.143 114 G CA -0.729 44.444 45.100 0.121 0.000 0.914 114 G HN 1.043 nan 8.290 nan 0.000 0.480 115 V N 1.891 121.914 119.914 0.181 0.000 2.378 115 V HA 0.288 4.407 4.120 -0.000 0.000 0.288 115 V C -0.166 176.083 176.094 0.259 0.000 1.016 115 V CA -0.634 61.817 62.300 0.252 0.000 0.840 115 V CB 1.575 33.571 31.823 0.287 0.000 0.994 115 V HN 0.516 nan 8.190 nan 0.000 0.431 116 V N 4.872 124.930 119.914 0.240 0.000 2.304 116 V HA 0.261 4.381 4.120 -0.000 0.000 0.269 116 V C -0.255 175.991 176.094 0.253 0.000 1.036 116 V CA -0.495 61.926 62.300 0.201 0.000 0.840 116 V CB 0.980 32.870 31.823 0.112 0.000 1.036 116 V HN 0.890 nan 8.190 nan 0.000 0.466 117 W N 6.027 127.380 121.300 0.088 0.000 2.317 117 W HA 0.466 5.126 4.660 -0.000 0.000 0.327 117 W C -0.660 175.914 176.519 0.092 0.000 1.036 117 W CA -0.553 56.857 57.345 0.108 0.000 1.419 117 W CB 1.740 31.253 29.460 0.088 0.000 1.253 117 W HN 0.400 nan 8.180 nan 0.000 0.392 118 V N 6.016 125.954 119.914 0.041 0.000 2.184 118 V HA 0.101 4.221 4.120 -0.000 0.000 0.262 118 V C 0.043 176.137 176.094 -0.001 0.000 1.209 118 V CA -0.146 62.174 62.300 0.034 0.000 1.070 118 V CB 0.324 32.124 31.823 -0.037 0.000 1.244 118 V HN 0.388 nan 8.190 nan 0.000 0.477 119 D N 2.362 122.857 120.400 0.158 0.000 2.450 119 D HA 0.648 5.288 4.640 -0.000 0.000 0.238 119 D C 0.747 177.119 176.300 0.119 0.000 1.020 119 D CA -0.222 53.892 54.000 0.190 0.000 1.010 119 D CB 2.947 44.084 40.800 0.562 0.000 1.342 119 D HN 0.266 nan 8.370 nan 0.000 0.530 120 A N 1.135 123.940 122.820 -0.025 0.000 2.178 120 A HA 0.108 4.428 4.320 -0.000 0.000 0.211 120 A C 0.218 177.605 177.584 -0.328 0.000 1.157 120 A CA 0.770 52.675 52.037 -0.220 0.000 0.780 120 A CB -0.296 18.476 19.000 -0.380 0.000 0.828 120 A HN 0.589 nan 8.150 nan 0.000 0.476 121 H N -3.610 115.578 119.070 0.197 0.000 2.797 121 H HA 0.644 5.200 4.556 -0.000 0.000 0.362 121 H C 0.844 176.314 175.328 0.237 0.000 1.183 121 H CA -0.196 55.968 56.048 0.194 0.000 1.197 121 H CB 1.793 31.680 29.762 0.208 0.000 1.835 121 H HN 0.033 nan 8.280 nan 0.000 0.567 122 A N 0.001 122.989 122.820 0.280 0.000 2.220 122 A HA 0.055 4.375 4.320 -0.000 0.000 0.211 122 A C 0.205 177.809 177.584 0.032 0.000 1.176 122 A CA 0.278 52.384 52.037 0.116 0.000 0.834 122 A CB -0.143 18.875 19.000 0.030 0.000 0.868 122 A HN 0.852 nan 8.150 nan 0.000 0.488 123 D N -1.883 118.614 120.400 0.163 0.000 2.782 123 D HA -0.216 4.424 4.640 -0.000 0.000 0.231 123 D C -0.111 176.189 176.300 0.001 0.000 1.163 123 D CA 0.881 54.934 54.000 0.088 0.000 0.680 123 D CB -1.461 39.420 40.800 0.135 0.000 1.062 123 D HN 0.468 nan 8.370 nan 0.000 0.425 124 F N 0.837 120.694 119.950 -0.155 0.000 2.819 124 F HA 0.237 4.764 4.527 -0.000 0.000 0.294 124 F C 0.836 176.578 175.800 -0.097 0.000 1.166 124 F CA -0.617 57.282 58.000 -0.168 0.000 1.374 124 F CB -0.117 38.786 39.000 -0.161 0.000 0.956 124 F HN -0.190 nan 8.300 nan 0.000 0.509 125 N N -0.531 118.130 118.700 -0.066 0.000 2.463 125 N HA 0.440 5.180 4.740 -0.000 0.000 0.270 125 N C -0.069 175.356 175.510 -0.143 0.000 1.205 125 N CA -0.043 52.958 53.050 -0.082 0.000 0.974 125 N CB 0.920 39.384 38.487 -0.038 0.000 1.197 125 N HN 0.133 nan 8.380 nan 0.000 0.504 126 T N -2.482 112.008 114.554 -0.106 0.000 2.907 126 T HA 0.388 4.737 4.350 -0.000 0.000 0.290 126 T C -2.269 172.402 174.700 -0.048 0.000 1.066 126 T CA -1.793 60.252 62.100 -0.092 0.000 1.012 126 T CB 1.800 70.606 68.868 -0.102 0.000 1.184 126 T HN 0.121 nan 8.240 nan 0.000 0.522 127 P HA -0.070 nan 4.420 nan 0.000 0.218 127 P C 1.052 178.341 177.300 -0.017 0.000 1.148 127 P CA 1.069 64.167 63.100 -0.002 0.000 0.822 127 P CB 0.109 31.829 31.700 0.034 0.000 0.784 128 E N -1.067 119.116 120.200 -0.028 0.000 2.028 128 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 128 E C 1.893 178.479 176.600 -0.023 0.000 0.988 128 E CA 1.842 58.226 56.400 -0.027 0.000 0.799 128 E CB -1.611 28.069 29.700 -0.033 0.000 0.755 128 E HN 0.330 nan 8.360 nan 0.000 0.447 129 T N -2.135 112.403 114.554 -0.027 0.000 3.160 129 T HA 0.207 4.557 4.350 -0.000 0.000 0.257 129 T C 0.626 175.317 174.700 -0.016 0.000 1.147 129 T CA 0.402 62.490 62.100 -0.019 0.000 1.064 129 T CB -0.009 68.848 68.868 -0.019 0.000 0.949 129 T HN 0.094 nan 8.240 nan 0.000 0.526 133 G N 1.677 110.445 108.800 -0.054 0.000 2.198 133 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.257 133 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.257 133 G C -0.347 174.500 174.900 -0.088 0.000 1.042 133 G CA 0.354 45.421 45.100 -0.056 0.000 0.791 133 G HN 0.803 nan 8.290 nan 0.000 0.502 134 N N -0.421 118.187 118.700 -0.152 0.000 2.426 134 N HA 0.403 5.143 4.740 -0.000 0.000 0.257 134 N C 1.646 176.979 175.510 -0.293 0.000 1.002 134 N CA -0.604 52.266 53.050 -0.299 0.000 0.942 134 N CB 1.695 39.861 38.487 -0.536 0.000 1.112 134 N HN -0.027 nan 8.380 nan 0.000 0.499 135 V N 2.088 121.886 119.914 -0.193 0.000 2.332 135 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 135 V C 1.721 177.773 176.094 -0.070 0.000 1.055 135 V CA 1.750 63.993 62.300 -0.096 0.000 1.038 135 V CB -1.007 30.800 31.823 -0.026 0.000 0.651 135 V HN 0.812 nan 8.190 nan 0.000 0.450 136 H N 0.237 119.328 119.070 0.036 0.000 2.566 136 H HA 0.194 4.750 4.556 -0.000 0.000 0.277 136 H C 1.479 176.852 175.328 0.075 0.000 1.046 136 H CA 0.831 56.919 56.048 0.066 0.000 1.172 136 H CB -0.728 29.087 29.762 0.088 0.000 1.319 136 H HN 0.334 nan 8.280 nan 0.000 0.621 137 G N -0.631 108.183 108.800 0.023 0.000 3.453 137 G HA2 0.249 4.209 3.960 -0.000 0.000 0.263 137 G HA3 0.249 4.209 3.960 -0.000 0.000 0.263 137 G C 0.740 175.640 174.900 0.001 0.000 1.060 137 G CA -0.155 44.977 45.100 0.054 0.000 0.793 137 G HN 0.457 nan 8.290 nan 0.000 0.532 138 M N 0.107 119.692 119.600 -0.025 0.000 2.260 138 M HA 0.191 4.671 4.480 -0.000 0.000 0.295 138 M C -0.988 175.237 176.300 -0.125 0.000 1.042 138 M CA -0.323 54.923 55.300 -0.089 0.000 1.116 138 M CB 0.597 33.149 32.600 -0.081 0.000 1.796 138 M HN -0.106 nan 8.290 nan 0.000 0.617 139 P HA -0.261 nan 4.420 nan 0.000 0.221 139 P C 1.584 178.757 177.300 -0.211 0.000 1.160 139 P CA 1.505 64.557 63.100 -0.081 0.000 0.933 139 P CB -0.098 31.639 31.700 0.061 0.000 0.793 140 L N -0.176 120.760 121.223 -0.478 0.000 2.013 140 L HA -0.183 4.156 4.340 -0.000 0.000 0.212 140 L C 2.645 179.381 176.870 -0.224 0.000 1.073 140 L CA 2.482 56.971 54.840 -0.586 0.000 0.753 140 L CB -1.687 39.856 42.059 -0.860 0.000 0.890 140 L HN -0.019 nan 8.230 nan 0.000 0.432 141 A N -1.567 120.978 122.820 -0.459 0.000 1.902 141 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 141 A C 2.300 179.645 177.584 -0.399 0.000 1.181 141 A CA 1.885 53.372 52.037 -0.916 0.000 0.623 141 A CB -1.095 17.268 19.000 -1.061 0.000 0.818 141 A HN 0.301 nan 8.150 nan 0.000 0.443 142 V N 0.364 120.138 119.914 -0.233 0.000 2.255 142 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 142 V C 2.592 178.664 176.094 -0.036 0.000 1.051 142 V CA 2.163 64.410 62.300 -0.088 0.000 1.018 142 V CB -0.810 31.002 31.823 -0.018 0.000 0.641 142 V HN 0.605 nan 8.190 nan 0.000 0.445 143 L N 0.285 121.485 121.223 -0.039 0.000 2.081 143 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 143 L C 2.167 179.048 176.870 0.019 0.000 1.080 143 L CA 1.903 56.750 54.840 0.013 0.000 0.754 143 L CB -0.654 41.409 42.059 0.006 0.000 0.893 143 L HN 0.367 nan 8.230 nan 0.000 0.433 144 S N -0.450 115.248 115.700 -0.003 0.000 2.631 144 S HA 0.223 4.693 4.470 -0.000 0.000 0.217 144 S C 1.305 175.901 174.600 -0.008 0.000 0.958 144 S CA 0.508 58.728 58.200 0.033 0.000 0.920 144 S CB 0.381 63.664 63.200 0.140 0.000 0.776 144 S HN 0.637 nan 8.310 nan 0.000 0.517 145 G N 1.484 110.267 108.800 -0.029 0.000 2.149 145 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.235 145 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.235 145 G C -0.274 174.585 174.900 -0.070 0.000 1.018 145 G CA -0.338 44.743 45.100 -0.031 0.000 0.728 145 G HN 0.466 nan 8.290 nan 0.000 0.508 146 L N -0.249 120.893 121.223 -0.135 0.000 2.381 146 L HA 0.734 5.074 4.340 -0.000 0.000 0.274 146 L C 0.834 177.612 176.870 -0.153 0.000 0.988 146 L CA -0.103 54.635 54.840 -0.170 0.000 0.824 146 L CB 1.556 43.439 42.059 -0.294 0.000 1.263 146 L HN 1.213 nan 8.230 nan 0.000 0.410 147 G N 1.039 109.780 108.800 -0.098 0.000 2.483 147 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.521 147 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.521 147 G C -0.581 174.322 174.900 0.006 0.000 1.278 147 G CA -0.778 44.290 45.100 -0.053 0.000 0.965 147 G HN 0.864 nan 8.290 nan 0.000 0.504 148 H N 2.172 121.217 119.070 -0.041 0.000 3.204 148 H HA 0.072 4.628 4.556 -0.000 0.000 0.278 148 H C -0.271 175.050 175.328 -0.012 0.000 0.879 148 H CA 0.908 56.943 56.048 -0.021 0.000 1.410 148 H CB 0.967 30.726 29.762 -0.006 0.000 1.322 148 H HN 0.313 nan 8.280 nan 0.000 0.544 149 P HA -0.172 nan 4.420 nan 0.000 0.221 149 P C 1.211 178.579 177.300 0.113 0.000 1.150 149 P CA 0.982 64.102 63.100 0.034 0.000 0.800 149 P CB 0.366 32.041 31.700 -0.043 0.000 0.787 150 R N -0.488 120.199 120.500 0.312 0.000 2.237 150 R HA 0.071 4.410 4.340 -0.000 0.000 0.219 150 R C 2.260 178.614 176.300 0.089 0.000 1.080 150 R CA 0.666 56.877 56.100 0.186 0.000 0.995 150 R CB -0.804 29.620 30.300 0.207 0.000 0.875 150 R HN 0.366 nan 8.270 nan 0.000 0.462 151 L N -0.820 120.501 121.223 0.163 0.000 2.347 151 L HA -0.008 4.332 4.340 -0.000 0.000 0.196 151 L C 2.416 179.414 176.870 0.213 0.000 1.072 151 L CA 1.042 56.040 54.840 0.264 0.000 0.817 151 L CB -0.740 41.479 42.059 0.267 0.000 1.029 151 L HN 0.155 nan 8.230 nan 0.000 0.478 152 T N -0.877 113.754 114.554 0.128 0.000 2.595 152 T HA -0.285 4.065 4.350 -0.000 0.000 0.264 152 T C 1.594 176.292 174.700 -0.005 0.000 1.058 152 T CA 1.608 63.750 62.100 0.071 0.000 1.166 152 T CB -0.880 68.005 68.868 0.029 0.000 0.863 152 T HN 0.534 nan 8.240 nan 0.000 0.415 153 E N 1.775 121.953 120.200 -0.037 0.000 2.233 153 E HA -0.261 4.089 4.350 -0.000 0.000 0.210 153 E C 2.131 178.644 176.600 -0.145 0.000 1.046 153 E CA 2.125 58.479 56.400 -0.077 0.000 0.844 153 E CB -0.816 28.841 29.700 -0.072 0.000 0.741 153 E HN 0.684 nan 8.360 nan 0.000 0.465 154 V N -3.616 116.119 119.914 -0.299 0.000 3.528 154 V HA 0.262 4.382 4.120 -0.000 0.000 0.294 154 V C 0.783 176.547 176.094 -0.549 0.000 1.404 154 V CA -0.113 61.894 62.300 -0.488 0.000 1.065 154 V CB -0.269 31.103 31.823 -0.752 0.000 0.904 154 V HN 0.202 nan 8.190 nan 0.000 0.435 155 F N 0.344 120.292 119.950 -0.002 0.000 2.817 155 F HA 0.498 5.025 4.527 -0.000 0.000 0.333 155 F C 1.193 176.986 175.800 -0.010 0.000 1.085 155 F CA -1.191 56.806 58.000 -0.005 0.000 1.170 155 F CB 0.019 39.016 39.000 -0.004 0.000 1.066 155 F HN -0.009 nan 8.300 nan 0.000 0.564 156 R N 1.709 122.285 120.500 0.127 0.000 2.486 156 R HA 0.291 4.631 4.340 -0.000 0.000 0.303 156 R C 0.489 176.831 176.300 0.069 0.000 0.958 156 R CA 0.927 57.071 56.100 0.074 0.000 1.077 156 R CB 0.347 30.666 30.300 0.032 0.000 0.921 156 R HN 0.234 nan 8.270 nan 0.000 0.406 157 A N 4.204 127.062 122.820 0.064 0.000 2.701 157 A HA 0.219 4.538 4.320 -0.000 0.000 0.241 157 A C -0.746 176.864 177.584 0.043 0.000 1.231 157 A CA -0.162 51.906 52.037 0.052 0.000 1.003 157 A CB 0.880 19.915 19.000 0.057 0.000 1.281 157 A HN 0.475 nan 8.150 nan 0.000 0.600 158 V N -0.079 119.863 119.914 0.047 0.000 3.087 158 V HA 0.515 4.635 4.120 -0.000 0.000 0.306 158 V C -2.065 174.063 176.094 0.056 0.000 1.187 158 V CA -0.678 61.654 62.300 0.053 0.000 0.999 158 V CB 2.159 34.021 31.823 0.066 0.000 1.049 158 V HN 0.268 nan 8.190 nan 0.000 0.431 159 D N 4.938 125.371 120.400 0.056 0.000 2.249 159 D HA 0.428 5.068 4.640 -0.000 0.000 0.246 159 D C -1.823 174.519 176.300 0.069 0.000 1.114 159 D CA -1.857 52.176 54.000 0.054 0.000 0.854 159 D CB 2.330 43.154 40.800 0.041 0.000 1.132 159 D HN 0.260 nan 8.370 nan 0.000 0.461 160 P HA -0.199 nan 4.420 nan 0.000 0.217 160 P C 0.825 178.167 177.300 0.069 0.000 1.162 160 P CA 1.758 64.909 63.100 0.085 0.000 0.901 160 P CB 0.212 31.972 31.700 0.100 0.000 0.793 161 K N -1.200 119.240 120.400 0.068 0.000 2.589 161 K HA -0.124 4.196 4.320 -0.000 0.000 0.195 161 K C 0.377 177.040 176.600 0.106 0.000 1.040 161 K CA 0.850 57.188 56.287 0.085 0.000 0.950 161 K CB -0.358 32.160 32.500 0.030 0.000 0.781 161 K HN 0.166 nan 8.250 nan 0.000 0.486 162 D N -0.056 120.403 120.400 0.098 0.000 2.462 162 D HA 0.068 4.708 4.640 -0.000 0.000 0.221 162 D C -0.804 175.579 176.300 0.139 0.000 1.173 162 D CA 0.135 54.202 54.000 0.112 0.000 0.831 162 D CB 0.716 41.563 40.800 0.077 0.000 1.001 162 D HN -0.180 nan 8.370 nan 0.000 0.499 163 V N 0.723 120.714 119.914 0.128 0.000 2.680 163 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 163 V C -0.112 176.020 176.094 0.063 0.000 1.052 163 V CA -0.770 61.586 62.300 0.093 0.000 0.908 163 V CB 2.728 34.562 31.823 0.020 0.000 1.001 163 V HN -0.244 nan 8.190 nan 0.000 0.431 164 V N 5.560 125.529 119.914 0.091 0.000 2.709 164 V HA 0.533 4.652 4.120 -0.000 0.000 0.308 164 V C -0.610 175.562 176.094 0.130 0.000 1.062 164 V CA -0.576 61.768 62.300 0.072 0.000 0.901 164 V CB 2.016 33.905 31.823 0.111 0.000 1.003 164 V HN 0.639 nan 8.190 nan 0.000 0.425 165 L N 4.297 125.584 121.223 0.106 0.000 2.307 165 L HA 0.746 5.086 4.340 -0.000 0.000 0.284 165 L C -0.931 176.060 176.870 0.203 0.000 1.023 165 L CA -0.651 54.282 54.840 0.155 0.000 0.810 165 L CB 2.029 44.117 42.059 0.047 0.000 1.231 165 L HN 0.425 nan 8.230 nan 0.000 0.423 166 V N 2.295 122.321 119.914 0.188 0.000 2.482 166 V HA 0.614 4.734 4.120 -0.000 0.000 0.295 166 V C 0.530 176.682 176.094 0.098 0.000 1.026 166 V CA 0.138 62.521 62.300 0.139 0.000 0.856 166 V CB 1.258 33.118 31.823 0.063 0.000 1.001 166 V HN 0.983 nan 8.190 nan 0.000 0.424 167 G N 3.833 112.686 108.800 0.089 0.000 2.184 167 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.206 167 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.206 167 G C 0.123 175.049 174.900 0.043 0.000 0.995 167 G CA -0.127 45.003 45.100 0.050 0.000 0.651 167 G HN 0.741 nan 8.290 nan 0.000 0.511 168 V N 1.733 121.689 119.914 0.070 0.000 2.644 168 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 168 V C 1.468 177.580 176.094 0.030 0.000 1.053 168 V CA 1.670 64.001 62.300 0.052 0.000 1.186 168 V CB 0.782 32.641 31.823 0.061 0.000 0.895 168 V HN 0.734 nan 8.190 nan 0.000 0.490 169 R N 2.004 122.505 120.500 0.001 0.000 2.494 169 R HA 0.391 4.731 4.340 -0.000 0.000 0.400 169 R C -0.173 176.139 176.300 0.020 0.000 0.856 169 R CA -0.176 55.930 56.100 0.010 0.000 1.112 169 R CB 0.569 30.868 30.300 -0.003 0.000 1.697 169 R HN 0.486 nan 8.270 nan 0.000 0.544 170 S N 1.139 116.866 115.700 0.046 0.000 2.545 170 S HA 0.498 4.967 4.470 -0.000 0.000 0.259 170 S C -1.382 173.311 174.600 0.154 0.000 1.092 170 S CA -0.570 57.698 58.200 0.115 0.000 1.054 170 S CB 0.695 64.008 63.200 0.189 0.000 1.146 170 S HN 0.295 nan 8.310 nan 0.000 0.447 171 L N 3.216 124.502 121.223 0.104 0.000 2.354 171 L HA 0.681 5.021 4.340 -0.000 0.000 0.264 171 L C -0.691 176.221 176.870 0.070 0.000 1.008 171 L CA -1.010 53.884 54.840 0.090 0.000 0.819 171 L CB 2.000 44.092 42.059 0.056 0.000 1.339 171 L HN 0.512 nan 8.230 nan 0.000 0.420 172 D N 1.406 121.844 120.400 0.063 0.000 2.181 172 D HA 0.245 4.885 4.640 -0.000 0.000 0.248 172 D C -1.828 174.492 176.300 0.034 0.000 1.020 172 D CA -1.365 52.661 54.000 0.044 0.000 0.891 172 D CB 2.199 43.021 40.800 0.037 0.000 1.187 172 D HN 0.176 nan 8.370 nan 0.000 0.443 173 P HA -0.191 nan 4.420 nan 0.000 0.217 173 P C 1.442 178.753 177.300 0.019 0.000 1.158 173 P CA 1.527 64.637 63.100 0.017 0.000 0.887 173 P CB 0.224 31.931 31.700 0.012 0.000 0.792 174 G N -0.373 108.438 108.800 0.018 0.000 2.446 174 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 174 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 174 G C 1.495 176.417 174.900 0.037 0.000 1.168 174 G CA 0.791 45.902 45.100 0.018 0.000 0.771 174 G HN 0.283 nan 8.290 nan 0.000 0.551 175 E N 0.447 120.678 120.200 0.053 0.000 2.038 175 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 175 E C 2.604 179.257 176.600 0.089 0.000 1.000 175 E CA 1.102 57.561 56.400 0.099 0.000 0.803 175 E CB -0.115 29.646 29.700 0.102 0.000 0.750 175 E HN 0.387 nan 8.360 nan 0.000 0.448 176 K N 0.573 121.001 120.400 0.047 0.000 2.059 176 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 176 K C 2.252 178.866 176.600 0.024 0.000 1.050 176 K CA 1.394 57.694 56.287 0.021 0.000 0.927 176 K CB -0.244 32.261 32.500 0.009 0.000 0.714 176 K HN 0.075 nan 8.250 nan 0.000 0.447 177 R N 0.883 121.401 120.500 0.030 0.000 2.088 177 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 177 R C 2.541 178.872 176.300 0.053 0.000 1.136 177 R CA 1.332 57.448 56.100 0.028 0.000 0.926 177 R CB -0.694 29.618 30.300 0.020 0.000 0.837 177 R HN 0.165 nan 8.270 nan 0.000 0.429 178 L N 0.951 122.224 121.223 0.083 0.000 2.051 178 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 178 L C 2.550 179.574 176.870 0.256 0.000 1.076 178 L CA 1.418 56.344 54.840 0.143 0.000 0.758 178 L CB -0.457 41.678 42.059 0.125 0.000 0.890 178 L HN 0.264 nan 8.230 nan 0.000 0.433 179 L N -0.736 120.613 121.223 0.209 0.000 1.989 179 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 179 L C 2.813 179.671 176.870 -0.020 0.000 1.071 179 L CA 1.394 56.227 54.840 -0.011 0.000 0.749 179 L CB -0.532 41.442 42.059 -0.142 0.000 0.890 179 L HN 0.174 nan 8.230 nan 0.000 0.431 180 K N 0.152 120.548 120.400 -0.007 0.000 2.020 180 K HA -0.237 4.083 4.320 -0.000 0.000 0.212 180 K C 1.999 178.603 176.600 0.007 0.000 1.050 180 K CA 1.865 58.143 56.287 -0.014 0.000 0.929 180 K CB -0.344 32.150 32.500 -0.010 0.000 0.714 180 K HN 0.410 nan 8.250 nan 0.000 0.443 181 E N 0.139 120.356 120.200 0.029 0.000 2.023 181 E HA -0.190 4.159 4.350 -0.000 0.000 0.196 181 E C 1.990 178.617 176.600 0.045 0.000 1.003 181 E CA 1.380 57.799 56.400 0.032 0.000 0.809 181 E CB -0.219 29.502 29.700 0.036 0.000 0.755 181 E HN 0.354 nan 8.360 nan 0.000 0.449 182 A N 0.343 123.215 122.820 0.087 0.000 2.032 182 A HA -0.106 4.214 4.320 -0.000 0.000 0.221 182 A C 1.901 179.514 177.584 0.049 0.000 1.165 182 A CA 1.532 53.635 52.037 0.110 0.000 0.645 182 A CB -0.982 18.179 19.000 0.270 0.000 0.807 182 A HN 0.463 nan 8.150 nan 0.000 0.453 183 G N -1.750 107.056 108.800 0.009 0.000 2.212 183 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.255 183 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.255 183 G C 0.045 174.922 174.900 -0.038 0.000 1.062 183 G CA 0.091 45.184 45.100 -0.012 0.000 0.815 183 G HN 0.923 nan 8.290 nan 0.000 0.497 184 V N 0.049 119.892 119.914 -0.118 0.000 2.686 184 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 184 V C 1.179 177.160 176.094 -0.190 0.000 1.055 184 V CA -0.380 61.808 62.300 -0.186 0.000 1.050 184 V CB 1.452 33.018 31.823 -0.428 0.000 0.984 184 V HN 0.501 nan 8.190 nan 0.000 0.482 185 R N 4.056 124.441 120.500 -0.190 0.000 2.272 185 R HA 0.374 4.714 4.340 -0.000 0.000 0.334 185 R C -1.099 175.022 176.300 -0.298 0.000 1.117 185 R CA 0.028 55.940 56.100 -0.312 0.000 0.966 185 R CB -0.087 29.895 30.300 -0.532 0.000 1.049 185 R HN 0.492 nan 8.270 nan 0.000 0.477 186 V N 6.304 126.009 119.914 -0.349 0.000 2.483 186 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 186 V C -0.825 175.041 176.094 -0.380 0.000 1.035 186 V CA -0.658 61.488 62.300 -0.257 0.000 0.896 186 V CB 1.450 33.162 31.823 -0.184 0.000 0.986 186 V HN 0.588 nan 8.190 nan 0.000 0.447 187 Y N 2.673 122.951 120.300 -0.036 0.000 2.686 187 Y HA 0.390 4.940 4.550 -0.000 0.000 0.331 187 Y C 1.027 176.932 175.900 0.008 0.000 0.996 187 Y CA -0.679 57.414 58.100 -0.012 0.000 1.293 187 Y CB 1.438 39.888 38.460 -0.016 0.000 1.092 187 Y HN 0.803 nan 8.280 nan 0.000 0.524 188 T N -1.484 113.138 114.554 0.113 0.000 2.726 188 T HA 0.068 4.418 4.350 -0.000 0.000 0.294 188 T C 1.497 176.270 174.700 0.121 0.000 1.013 188 T CA -0.730 61.428 62.100 0.096 0.000 0.996 188 T CB 0.701 69.611 68.868 0.070 0.000 1.016 188 T HN 0.443 nan 8.240 nan 0.000 0.529 189 M N 0.354 120.010 119.600 0.093 0.000 2.446 189 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 189 M C 2.068 178.424 176.300 0.093 0.000 1.066 189 M CA 1.363 56.708 55.300 0.076 0.000 1.087 189 M CB -1.727 30.904 32.600 0.053 0.000 1.406 189 M HN 0.829 nan 8.290 nan 0.000 0.459 190 H N 0.401 119.489 119.070 0.031 0.000 2.357 190 H HA -0.115 4.441 4.556 -0.000 0.000 0.301 190 H C 1.401 176.753 175.328 0.040 0.000 1.082 190 H CA 1.698 57.763 56.048 0.027 0.000 1.342 190 H CB 0.395 30.169 29.762 0.018 0.000 1.389 190 H HN 0.245 nan 8.280 nan 0.000 0.511 191 E N 0.185 120.489 120.200 0.174 0.000 2.072 191 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 191 E C 2.603 179.245 176.600 0.070 0.000 0.985 191 E CA 1.023 57.514 56.400 0.151 0.000 0.801 191 E CB -0.207 29.653 29.700 0.266 0.000 0.750 191 E HN 0.216 nan 8.360 nan 0.000 0.452 192 V N 1.456 121.407 119.914 0.062 0.000 2.270 192 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 192 V C 1.560 177.640 176.094 -0.023 0.000 1.043 192 V CA 1.986 64.294 62.300 0.013 0.000 1.014 192 V CB -0.482 31.348 31.823 0.012 0.000 0.645 192 V HN 0.227 nan 8.190 nan 0.000 0.447 193 D N -0.667 119.708 120.400 -0.043 0.000 2.265 193 D HA -0.148 4.491 4.640 -0.000 0.000 0.208 193 D C 2.334 178.570 176.300 -0.107 0.000 0.977 193 D CA 1.100 55.057 54.000 -0.071 0.000 0.871 193 D CB -0.113 40.634 40.800 -0.088 0.000 0.925 193 D HN 0.335 nan 8.370 nan 0.000 0.485 194 R N -0.482 119.934 120.500 -0.140 0.000 2.105 194 R HA 0.174 4.514 4.340 -0.000 0.000 0.214 194 R C 2.152 178.422 176.300 -0.050 0.000 1.091 194 R CA 0.221 56.241 56.100 -0.134 0.000 1.007 194 R CB 0.263 30.445 30.300 -0.197 0.000 0.912 194 R HN 0.161 nan 8.270 nan 0.000 0.450 195 L N -1.027 120.184 121.223 -0.019 0.000 2.425 195 L HA 0.299 4.638 4.340 -0.000 0.000 0.215 195 L C 0.526 177.385 176.870 -0.018 0.000 1.065 195 L CA 0.345 55.184 54.840 -0.002 0.000 0.842 195 L CB 0.370 42.446 42.059 0.029 0.000 1.033 195 L HN 0.339 nan 8.230 nan 0.000 0.474 196 G N -0.321 108.464 108.800 -0.026 0.000 2.907 196 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 196 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 196 G C 0.166 175.037 174.900 -0.049 0.000 1.115 196 G CA -0.429 44.653 45.100 -0.031 0.000 0.760 196 G HN -0.219 nan 8.290 nan 0.000 0.620 197 V N 2.094 121.978 119.914 -0.049 0.000 2.469 197 V HA -0.167 3.953 4.120 -0.000 0.000 0.251 197 V C 3.278 179.327 176.094 -0.075 0.000 1.064 197 V CA 3.428 65.686 62.300 -0.070 0.000 1.066 197 V CB -1.149 30.642 31.823 -0.053 0.000 0.667 197 V HN 1.674 nan 8.190 nan 0.000 0.461 198 A N 0.087 122.877 122.820 -0.050 0.000 1.865 198 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 198 A C 2.397 179.949 177.584 -0.054 0.000 1.191 198 A CA 2.316 54.327 52.037 -0.043 0.000 0.623 198 A CB -0.574 18.411 19.000 -0.026 0.000 0.826 198 A HN 0.495 nan 8.150 nan 0.000 0.444 199 R N -0.706 119.762 120.500 -0.052 0.000 2.075 199 R HA -0.002 4.338 4.340 -0.000 0.000 0.232 199 R C 2.028 178.268 176.300 -0.099 0.000 1.126 199 R CA 1.420 57.490 56.100 -0.050 0.000 0.963 199 R CB -0.376 29.908 30.300 -0.027 0.000 0.858 199 R HN 0.547 nan 8.270 nan 0.000 0.435 200 I N 0.621 121.092 120.570 -0.164 0.000 2.163 200 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 200 I C 2.411 178.346 176.117 -0.304 0.000 1.085 200 I CA 1.363 62.447 61.300 -0.360 0.000 1.347 200 I CB -0.287 37.443 38.000 -0.451 0.000 1.044 200 I HN 0.337 nan 8.210 nan 0.000 0.408 201 A N 0.584 123.295 122.820 -0.183 0.000 1.873 201 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 201 A C 2.179 179.713 177.584 -0.083 0.000 1.193 201 A CA 2.055 54.019 52.037 -0.122 0.000 0.629 201 A CB -0.725 18.229 19.000 -0.077 0.000 0.826 201 A HN 0.481 nan 8.150 nan 0.000 0.447 202 E N -0.338 119.824 120.200 -0.062 0.000 2.070 202 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 202 E C 1.961 178.553 176.600 -0.012 0.000 1.004 202 E CA 1.520 57.904 56.400 -0.026 0.000 0.805 202 E CB -0.436 29.254 29.700 -0.018 0.000 0.744 202 E HN 0.802 nan 8.360 nan 0.000 0.451 203 E N 0.597 120.776 120.200 -0.036 0.000 2.085 203 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 203 E C 2.273 178.901 176.600 0.046 0.000 0.994 203 E CA 1.225 57.634 56.400 0.014 0.000 0.801 203 E CB 0.064 29.767 29.700 0.004 0.000 0.743 203 E HN 0.018 nan 8.360 nan 0.000 0.453 204 V N 1.280 121.171 119.914 -0.038 0.000 2.255 204 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 204 V C 2.351 178.497 176.094 0.086 0.000 1.051 204 V CA 1.647 63.963 62.300 0.026 0.000 1.018 204 V CB -0.522 31.284 31.823 -0.029 0.000 0.641 204 V HN 0.314 nan 8.190 nan 0.000 0.445 205 L N -0.321 120.931 121.223 0.048 0.000 1.990 205 L HA -0.281 4.059 4.340 -0.000 0.000 0.213 205 L C 2.610 179.527 176.870 0.078 0.000 1.072 205 L CA 2.249 57.123 54.840 0.056 0.000 0.755 205 L CB -0.731 41.347 42.059 0.031 0.000 0.889 205 L HN 0.307 nan 8.230 nan 0.000 0.432 206 K N 0.047 120.495 120.400 0.081 0.000 1.987 206 K HA -0.290 4.030 4.320 -0.000 0.000 0.216 206 K C 2.146 178.817 176.600 0.118 0.000 1.051 206 K CA 1.900 58.238 56.287 0.085 0.000 0.942 206 K CB -0.532 32.019 32.500 0.085 0.000 0.722 206 K HN 0.260 nan 8.250 nan 0.000 0.444 207 H N -0.799 118.304 119.070 0.055 0.000 2.518 207 H HA -0.036 4.520 4.556 -0.000 0.000 0.294 207 H C 0.591 175.951 175.328 0.054 0.000 1.083 207 H CA 1.766 57.850 56.048 0.061 0.000 1.264 207 H CB 0.097 29.913 29.762 0.091 0.000 1.370 207 H HN 0.207 nan 8.280 nan 0.000 0.560 208 L N 1.022 122.334 121.223 0.148 0.000 3.069 208 L HA 0.115 4.455 4.340 -0.000 0.000 0.271 208 L C 0.186 177.090 176.870 0.057 0.000 1.201 208 L CA -0.357 54.542 54.840 0.097 0.000 1.015 208 L CB 0.097 42.235 42.059 0.132 0.000 1.371 208 L HN 0.282 nan 8.230 nan 0.000 0.574 209 Q N 1.157 120.984 119.800 0.044 0.000 2.368 209 Q HA 0.037 4.376 4.340 -0.000 0.000 0.331 209 Q C 1.017 177.032 176.000 0.025 0.000 1.086 209 Q CA 1.119 56.941 55.803 0.033 0.000 1.031 209 Q CB 0.327 29.079 28.738 0.024 0.000 1.125 209 Q HN 0.360 nan 8.270 nan 0.000 0.389 210 G N 2.429 111.246 108.800 0.029 0.000 2.205 210 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.261 210 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.261 210 G C -0.033 174.885 174.900 0.031 0.000 0.980 210 G CA 0.266 45.381 45.100 0.026 0.000 0.632 210 G HN 0.556 nan 8.290 nan 0.000 0.533 211 L N 1.069 122.316 121.223 0.039 0.000 2.334 211 L HA 0.552 4.892 4.340 -0.000 0.000 0.275 211 L C -2.029 174.874 176.870 0.055 0.000 1.036 211 L CA -2.413 52.454 54.840 0.046 0.000 0.807 211 L CB 1.650 43.741 42.059 0.052 0.000 1.231 211 L HN -0.143 nan 8.230 nan 0.000 0.438 212 P HA 0.250 nan 4.420 nan 0.000 0.272 212 P C -1.184 176.161 177.300 0.076 0.000 1.223 212 P CA -0.137 63.000 63.100 0.061 0.000 0.784 212 P CB 0.617 32.349 31.700 0.052 0.000 0.923 213 L N 2.215 123.486 121.223 0.079 0.000 2.341 213 L HA 0.433 4.772 4.340 -0.000 0.000 0.278 213 L C 0.205 177.125 176.870 0.085 0.000 1.005 213 L CA -0.680 54.215 54.840 0.093 0.000 0.818 213 L CB 1.384 43.493 42.059 0.082 0.000 1.259 213 L HN 0.477 nan 8.230 nan 0.000 0.418 214 H N 3.558 122.648 119.070 0.034 0.000 2.511 214 H HA 0.470 5.026 4.556 -0.000 0.000 0.328 214 H C -1.549 173.799 175.328 0.033 0.000 1.044 214 H CA -0.471 55.580 56.048 0.004 0.000 1.212 214 H CB 1.916 31.685 29.762 0.012 0.000 1.428 214 H HN 0.291 nan 8.280 nan 0.000 0.483 215 V N 4.613 124.327 119.914 -0.333 0.000 2.398 215 V HA 0.156 4.276 4.120 -0.000 0.000 0.286 215 V C 0.340 176.288 176.094 -0.244 0.000 1.026 215 V CA -0.492 61.716 62.300 -0.153 0.000 0.868 215 V CB 1.441 33.203 31.823 -0.103 0.000 0.982 215 V HN 0.767 nan 8.190 nan 0.000 0.443 216 S N 4.980 120.627 115.700 -0.088 0.000 2.456 216 S HA 0.660 5.130 4.470 -0.000 0.000 0.316 216 S C -0.915 173.505 174.600 -0.300 0.000 1.089 216 S CA -0.489 57.591 58.200 -0.200 0.000 1.101 216 S CB 0.832 63.770 63.200 -0.437 0.000 0.995 216 S HN 0.555 nan 8.310 nan 0.000 0.468 217 L N 5.565 126.618 121.223 -0.283 0.000 2.318 217 L HA 0.538 4.878 4.340 -0.000 0.000 0.277 217 L C -0.619 176.045 176.870 -0.343 0.000 1.008 217 L CA -0.281 54.400 54.840 -0.266 0.000 0.846 217 L CB 1.281 43.224 42.059 -0.193 0.000 1.220 217 L HN 0.564 nan 8.230 nan 0.000 0.423 218 D N 3.429 123.612 120.400 -0.362 0.000 2.264 218 D HA 0.283 4.923 4.640 -0.000 0.000 0.250 218 D C 0.727 176.910 176.300 -0.195 0.000 1.113 218 D CA 0.242 54.017 54.000 -0.375 0.000 0.871 218 D CB 2.272 42.922 40.800 -0.250 0.000 1.167 218 D HN 0.696 nan 8.370 nan 0.000 0.447 219 A N 3.450 126.169 122.820 -0.169 0.000 2.209 219 A HA -0.138 4.182 4.320 -0.000 0.000 0.212 219 A C 1.270 178.816 177.584 -0.064 0.000 1.158 219 A CA 0.828 52.801 52.037 -0.105 0.000 0.742 219 A CB -0.191 18.755 19.000 -0.091 0.000 0.790 219 A HN 0.632 nan 8.150 nan 0.000 0.472 220 D N -0.838 119.535 120.400 -0.045 0.000 2.371 220 D HA -0.030 4.610 4.640 -0.000 0.000 0.234 220 D C 1.045 177.313 176.300 -0.053 0.000 1.049 220 D CA 0.714 54.707 54.000 -0.012 0.000 0.907 220 D CB -0.339 40.509 40.800 0.079 0.000 0.891 220 D HN 0.147 nan 8.370 nan 0.000 0.531 221 V N -0.378 119.502 119.914 -0.056 0.000 3.406 221 V HA 0.201 4.321 4.120 -0.000 0.000 0.263 221 V C 0.484 176.552 176.094 -0.043 0.000 1.172 221 V CA 0.173 62.441 62.300 -0.053 0.000 1.140 221 V CB -0.221 31.572 31.823 -0.050 0.000 0.784 221 V HN 0.146 nan 8.190 nan 0.000 0.467 222 L N 0.680 121.880 121.223 -0.038 0.000 2.334 222 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 222 L C 0.302 177.169 176.870 -0.006 0.000 1.036 222 L CA -0.476 54.351 54.840 -0.021 0.000 0.807 222 L CB 0.897 42.945 42.059 -0.017 0.000 1.231 222 L HN 0.056 nan 8.230 nan 0.000 0.438 223 D N 2.710 123.114 120.400 0.007 0.000 2.533 223 D HA -0.029 4.611 4.640 -0.000 0.000 0.236 223 D C -1.721 174.587 176.300 0.013 0.000 1.137 223 D CA -0.910 53.097 54.000 0.011 0.000 0.867 223 D CB 1.668 42.479 40.800 0.018 0.000 1.170 223 D HN 0.277 nan 8.370 nan 0.000 0.474 224 P HA -0.135 nan 4.420 nan 0.000 0.216 224 P C 1.341 178.649 177.300 0.013 0.000 1.150 224 P CA 1.120 64.228 63.100 0.013 0.000 0.843 224 P CB 0.104 31.814 31.700 0.015 0.000 0.787 225 T N -1.393 113.169 114.554 0.014 0.000 2.897 225 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 225 T C 1.400 176.108 174.700 0.014 0.000 1.084 225 T CA 1.018 63.125 62.100 0.012 0.000 1.123 225 T CB -0.521 68.354 68.868 0.012 0.000 0.865 225 T HN 0.003 nan 8.240 nan 0.000 0.496 226 L N -0.815 120.422 121.223 0.022 0.000 2.642 226 L HA 0.629 4.969 4.340 -0.000 0.000 0.233 226 L C 0.707 177.598 176.870 0.035 0.000 1.077 226 L CA 0.315 55.175 54.840 0.033 0.000 0.879 226 L CB 0.428 42.521 42.059 0.056 0.000 1.151 226 L HN 0.036 nan 8.230 nan 0.000 0.495 227 A N 0.474 123.308 122.820 0.023 0.000 3.216 227 A HA 0.538 4.858 4.320 -0.000 0.000 0.321 227 A C -2.059 175.530 177.584 0.008 0.000 1.042 227 A CA -0.757 51.289 52.037 0.015 0.000 0.838 227 A CB -0.119 18.885 19.000 0.006 0.000 1.136 227 A HN 0.186 nan 8.150 nan 0.000 0.483 228 P HA -0.114 nan 4.420 nan 0.000 0.217 228 P C 1.183 178.485 177.300 0.003 0.000 1.150 228 P CA 1.529 64.633 63.100 0.006 0.000 0.832 228 P CB 0.006 31.709 31.700 0.005 0.000 0.787 229 G N 1.349 110.148 108.800 -0.002 0.000 2.991 229 G HA2 0.322 4.282 3.960 -0.000 0.000 0.262 229 G HA3 0.322 4.282 3.960 -0.000 0.000 0.262 229 G C 0.289 175.182 174.900 -0.012 0.000 0.765 229 G CA -0.123 44.973 45.100 -0.007 0.000 2.051 229 G HN 0.318 nan 8.290 nan 0.000 0.602 230 V N -2.211 117.700 119.914 -0.005 0.000 3.040 230 V HA 0.868 4.988 4.120 -0.000 0.000 0.312 230 V C 1.269 177.364 176.094 0.002 0.000 1.115 230 V CA -0.194 62.101 62.300 -0.008 0.000 0.998 230 V CB 1.314 33.138 31.823 0.001 0.000 1.042 230 V HN 0.264 nan 8.190 nan 0.000 0.433 231 G N 1.670 110.464 108.800 -0.009 0.000 2.511 231 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.216 231 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.216 231 G C 0.628 175.548 174.900 0.033 0.000 1.218 231 G CA 1.413 46.508 45.100 -0.009 0.000 0.788 231 G HN 0.967 nan 8.290 nan 0.000 0.560 232 T N 3.089 117.694 114.554 0.084 0.000 3.154 232 T HA 0.460 4.810 4.350 -0.000 0.000 0.381 232 T C -2.653 172.147 174.700 0.168 0.000 1.368 232 T CA -1.061 61.123 62.100 0.140 0.000 1.155 232 T CB 1.971 70.950 68.868 0.184 0.000 1.120 232 T HN 0.128 nan 8.240 nan 0.000 0.570 233 P HA 0.239 nan 4.420 nan 0.000 0.266 233 P C -0.814 176.531 177.300 0.075 0.000 1.195 233 P CA -0.216 62.925 63.100 0.067 0.000 0.768 233 P CB 0.877 32.604 31.700 0.045 0.000 0.838 234 V N 4.288 124.226 119.914 0.041 0.000 2.577 234 V HA 0.211 4.330 4.120 -0.000 0.000 0.294 234 V C -2.326 173.775 176.094 0.012 0.000 1.052 234 V CA -1.870 60.448 62.300 0.031 0.000 0.891 234 V CB 1.569 33.389 31.823 -0.004 0.000 1.017 234 V HN 0.442 nan 8.190 nan 0.000 0.436 235 P HA 0.062 nan 4.420 nan 0.000 0.269 235 P C 0.906 178.214 177.300 0.012 0.000 1.185 235 P CA 1.601 64.712 63.100 0.017 0.000 0.769 235 P CB 0.394 32.107 31.700 0.022 0.000 0.809 236 G N 1.244 110.052 108.800 0.013 0.000 2.370 236 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.293 236 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.293 236 G C 0.613 175.518 174.900 0.008 0.000 0.992 236 G CA -0.018 45.090 45.100 0.013 0.000 1.247 236 G HN 0.827 nan 8.290 nan 0.000 0.505 237 G N -0.925 107.877 108.800 0.004 0.000 2.606 237 G HA2 0.689 4.649 3.960 -0.000 0.000 0.262 237 G HA3 0.689 4.649 3.960 -0.000 0.000 0.262 237 G C 0.563 175.464 174.900 0.002 0.000 1.394 237 G CA -1.203 43.895 45.100 -0.003 0.000 1.044 237 G HN 0.652 nan 8.290 nan 0.000 0.553 238 L N 0.444 121.663 121.223 -0.005 0.000 2.467 238 L HA 0.272 4.612 4.340 -0.000 0.000 0.270 238 L C 1.294 178.173 176.870 0.015 0.000 1.205 238 L CA -0.420 54.417 54.840 -0.004 0.000 0.828 238 L CB 0.818 42.861 42.059 -0.026 0.000 1.101 238 L HN 0.670 nan 8.230 nan 0.000 0.479 239 T N -2.091 112.481 114.554 0.029 0.000 2.918 239 T HA 0.109 4.458 4.350 -0.000 0.000 0.283 239 T C 0.783 175.549 174.700 0.110 0.000 1.001 239 T CA -0.490 61.654 62.100 0.073 0.000 1.041 239 T CB 0.888 69.800 68.868 0.074 0.000 1.028 239 T HN 0.535 nan 8.240 nan 0.000 0.511 240 Y N 1.848 122.166 120.300 0.030 0.000 2.081 240 Y HA -0.220 4.330 4.550 -0.000 0.000 0.280 240 Y C 2.798 178.779 175.900 0.134 0.000 1.163 240 Y CA 1.746 59.891 58.100 0.075 0.000 1.135 240 Y CB -0.190 38.321 38.460 0.086 0.000 0.970 240 Y HN 0.635 nan 8.280 nan 0.000 0.498 241 R N 0.073 120.756 120.500 0.305 0.000 2.083 241 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 241 R C 2.353 178.690 176.300 0.063 0.000 1.137 241 R CA 1.896 58.104 56.100 0.180 0.000 0.951 241 R CB -0.416 29.980 30.300 0.160 0.000 0.851 241 R HN 0.476 nan 8.270 nan 0.000 0.434 242 E N -0.028 120.197 120.200 0.040 0.000 2.070 242 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 242 E C 1.902 178.472 176.600 -0.050 0.000 1.004 242 E CA 1.639 58.037 56.400 -0.003 0.000 0.805 242 E CB -0.078 29.621 29.700 -0.003 0.000 0.744 242 E HN 0.423 nan 8.360 nan 0.000 0.451 243 A N 0.394 123.151 122.820 -0.104 0.000 1.898 243 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 243 A C 1.974 179.403 177.584 -0.260 0.000 1.181 243 A CA 1.566 53.484 52.037 -0.197 0.000 0.620 243 A CB -0.780 18.058 19.000 -0.269 0.000 0.819 243 A HN 0.358 nan 8.150 nan 0.000 0.442 244 H N -1.050 117.891 119.070 -0.215 0.000 2.352 244 H HA -0.130 4.425 4.556 -0.000 0.000 0.299 244 H C 2.109 177.370 175.328 -0.112 0.000 1.097 244 H CA 1.886 57.816 56.048 -0.197 0.000 1.311 244 H CB -0.367 29.236 29.762 -0.265 0.000 1.377 244 H HN 0.428 nan 8.280 nan 0.000 0.504 245 L N 0.896 122.129 121.223 0.017 0.000 2.046 245 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 245 L C 2.456 179.309 176.870 -0.027 0.000 1.077 245 L CA 1.182 56.022 54.840 0.001 0.000 0.747 245 L CB -0.812 41.246 42.059 -0.001 0.000 0.896 245 L HN 0.131 nan 8.230 nan 0.000 0.432 246 L N -0.910 120.281 121.223 -0.053 0.000 1.989 246 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 246 L C 2.376 179.213 176.870 -0.055 0.000 1.071 246 L CA 2.020 56.823 54.840 -0.062 0.000 0.749 246 L CB -0.543 41.469 42.059 -0.077 0.000 0.890 246 L HN 0.264 nan 8.230 nan 0.000 0.431 247 M N -0.552 119.005 119.600 -0.072 0.000 2.065 247 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 247 M C 2.191 178.474 176.300 -0.028 0.000 1.069 247 M CA 1.890 57.154 55.300 -0.061 0.000 1.110 247 M CB -1.427 31.117 32.600 -0.094 0.000 1.328 247 M HN 0.365 nan 8.290 nan 0.000 0.405 248 E N 0.508 120.701 120.200 -0.011 0.000 2.114 248 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 248 E C 2.044 178.642 176.600 -0.004 0.000 1.008 248 E CA 1.427 57.828 56.400 0.003 0.000 0.810 248 E CB -0.344 29.365 29.700 0.015 0.000 0.739 248 E HN 0.503 nan 8.360 nan 0.000 0.456 249 I N 0.802 121.366 120.570 -0.011 0.000 2.252 249 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 249 I C 2.340 178.453 176.117 -0.007 0.000 1.102 249 I CA 0.878 62.171 61.300 -0.012 0.000 1.385 249 I CB -0.168 37.819 38.000 -0.021 0.000 1.064 249 I HN 0.109 nan 8.210 nan 0.000 0.414 250 L N 0.464 121.682 121.223 -0.009 0.000 2.056 250 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 250 L C 2.882 179.760 176.870 0.014 0.000 1.078 250 L CA 1.199 56.041 54.840 0.004 0.000 0.749 250 L CB -0.740 41.321 42.059 0.002 0.000 0.901 250 L HN 0.228 nan 8.230 nan 0.000 0.433 251 A N -0.069 122.755 122.820 0.007 0.000 1.940 251 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 251 A C 2.182 179.774 177.584 0.014 0.000 1.176 251 A CA 1.921 53.964 52.037 0.010 0.000 0.631 251 A CB -0.518 18.481 19.000 -0.002 0.000 0.814 251 A HN 0.433 nan 8.150 nan 0.000 0.446 252 E N 0.197 120.401 120.200 0.007 0.000 2.097 252 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 252 E C 2.247 178.854 176.600 0.012 0.000 1.000 252 E CA 1.765 58.168 56.400 0.005 0.000 0.804 252 E CB -0.160 29.539 29.700 -0.001 0.000 0.740 252 E HN 0.804 nan 8.360 nan 0.000 0.454 253 S N -0.919 114.791 115.700 0.017 0.000 2.420 253 S HA -0.159 4.311 4.470 -0.000 0.000 0.237 253 S C 1.833 176.452 174.600 0.032 0.000 1.023 253 S CA 1.296 59.510 58.200 0.024 0.000 0.991 253 S CB -0.570 62.649 63.200 0.031 0.000 0.792 253 S HN 0.563 nan 8.310 nan 0.000 0.488 254 G N 1.977 110.799 108.800 0.037 0.000 2.184 254 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.264 254 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.264 254 G C 0.628 175.569 174.900 0.068 0.000 0.975 254 G CA 0.371 45.499 45.100 0.047 0.000 0.642 254 G HN 0.803 nan 8.290 nan 0.000 0.536 255 R N -0.196 120.346 120.500 0.070 0.000 2.633 255 R HA 0.550 4.890 4.340 -0.000 0.000 0.348 255 R C 0.208 176.570 176.300 0.103 0.000 1.100 255 R CA -0.400 55.749 56.100 0.082 0.000 1.068 255 R CB 0.731 31.069 30.300 0.064 0.000 1.351 255 R HN 0.230 nan 8.270 nan 0.000 0.575 256 V N 2.290 122.285 119.914 0.136 0.000 2.583 256 V HA 0.043 4.163 4.120 -0.000 0.000 0.287 256 V C 0.860 177.121 176.094 0.279 0.000 1.051 256 V CA -0.150 62.253 62.300 0.172 0.000 1.010 256 V CB 1.355 33.291 31.823 0.188 0.000 0.988 256 V HN 0.507 nan 8.190 nan 0.000 0.478 257 Q N 2.138 121.993 119.800 0.092 0.000 2.113 257 Q HA 0.368 4.708 4.340 -0.000 0.000 0.225 257 Q C -0.048 175.421 176.000 -0.884 0.000 0.786 257 Q CA 0.022 55.742 55.803 -0.139 0.000 0.989 257 Q CB 1.156 29.862 28.738 -0.054 0.000 1.174 257 Q HN 0.740 nan 8.270 nan 0.000 0.470 258 S N -0.121 115.053 115.700 -0.877 0.000 2.580 258 S HA 0.637 5.107 4.470 -0.000 0.000 0.281 258 S C -1.682 172.509 174.600 -0.683 0.000 1.129 258 S CA -0.984 56.626 58.200 -0.984 0.000 0.862 258 S CB 1.518 64.487 63.200 -0.386 0.000 1.090 258 S HN 0.355 nan 8.310 nan 0.000 0.451 259 L N 0.747 121.717 121.223 -0.422 0.000 2.409 259 L HA 0.902 5.242 4.340 -0.000 0.000 0.262 259 L C -2.053 174.706 176.870 -0.185 0.000 0.992 259 L CA -0.191 54.483 54.840 -0.277 0.000 0.817 259 L CB 2.063 44.129 42.059 0.012 0.000 1.350 259 L HN 0.769 nan 8.230 nan 0.000 0.411 260 D N 4.637 124.931 120.400 -0.175 0.000 2.391 260 D HA 0.526 5.166 4.640 -0.000 0.000 0.245 260 D C -0.872 175.348 176.300 -0.134 0.000 1.069 260 D CA 0.272 54.219 54.000 -0.089 0.000 0.831 260 D CB 2.196 42.980 40.800 -0.028 0.000 1.204 260 D HN 0.518 nan 8.370 nan 0.000 0.503 261 L N 2.536 123.690 121.223 -0.115 0.000 2.356 261 L HA 0.397 4.737 4.340 -0.000 0.000 0.264 261 L C 0.084 176.865 176.870 -0.147 0.000 1.029 261 L CA -0.916 53.845 54.840 -0.133 0.000 0.897 261 L CB 0.973 42.976 42.059 -0.093 0.000 1.256 261 L HN 0.161 nan 8.230 nan 0.000 0.444 262 V N -0.984 118.792 119.914 -0.230 0.000 3.177 262 V HA 0.597 4.717 4.120 -0.000 0.000 0.319 262 V C 0.551 176.504 176.094 -0.235 0.000 1.125 262 V CA -0.527 61.624 62.300 -0.247 0.000 1.029 262 V CB 1.801 33.397 31.823 -0.378 0.000 1.119 262 V HN 0.737 nan 8.190 nan 0.000 0.452 263 E N -1.017 119.070 120.200 -0.188 0.000 2.791 263 E HA -0.161 4.189 4.350 -0.000 0.000 0.271 263 E C -0.137 176.404 176.600 -0.099 0.000 1.044 263 E CA 0.871 57.184 56.400 -0.144 0.000 0.814 263 E CB -1.541 28.067 29.700 -0.155 0.000 1.400 263 E HN 0.662 nan 8.360 nan 0.000 0.423 264 V N 1.793 121.657 119.914 -0.085 0.000 2.488 264 V HA 0.204 4.323 4.120 -0.000 0.000 0.277 264 V C 0.688 176.756 176.094 -0.044 0.000 1.046 264 V CA -0.237 62.029 62.300 -0.057 0.000 0.986 264 V CB 1.439 33.234 31.823 -0.047 0.000 0.989 264 V HN 0.144 nan 8.190 nan 0.000 0.475 265 N N 7.465 126.144 118.700 -0.034 0.000 2.623 265 N HA 0.342 5.082 4.740 -0.000 0.000 0.256 265 N C -1.648 173.849 175.510 -0.022 0.000 1.045 265 N CA -1.809 51.224 53.050 -0.029 0.000 0.863 265 N CB 2.422 40.892 38.487 -0.028 0.000 1.182 265 N HN 0.277 nan 8.380 nan 0.000 0.523 266 P HA -0.070 nan 4.420 nan 0.000 0.223 266 P C 1.271 178.557 177.300 -0.025 0.000 1.144 266 P CA 0.693 63.779 63.100 -0.024 0.000 0.783 266 P CB 0.659 32.342 31.700 -0.029 0.000 0.771 267 I N -1.065 119.492 120.570 -0.021 0.000 3.291 267 I HA -0.047 4.123 4.170 -0.000 0.000 0.279 267 I C 1.779 177.888 176.117 -0.013 0.000 1.294 267 I CA 0.844 62.133 61.300 -0.018 0.000 1.428 267 I CB -0.097 37.894 38.000 -0.015 0.000 1.070 267 I HN -0.137 nan 8.210 nan 0.000 0.478 268 L N -1.265 119.951 121.223 -0.012 0.000 3.135 268 L HA 0.285 4.625 4.340 -0.000 0.000 0.279 268 L C 0.130 176.995 176.870 -0.007 0.000 1.200 268 L CA -0.255 54.581 54.840 -0.007 0.000 1.016 268 L CB 0.088 42.145 42.059 -0.003 0.000 1.391 268 L HN 0.000 nan 8.230 nan 0.000 0.588 269 D N 1.181 121.574 120.400 -0.011 0.000 2.432 269 D HA 0.241 4.880 4.640 -0.000 0.000 0.258 269 D C -0.309 175.985 176.300 -0.011 0.000 1.146 269 D CA -0.075 53.919 54.000 -0.010 0.000 1.015 269 D CB 1.077 41.870 40.800 -0.012 0.000 1.107 269 D HN 0.025 nan 8.370 nan 0.000 0.529 270 E N 1.204 121.399 120.200 -0.008 0.000 2.185 270 E HA 0.306 4.655 4.350 -0.000 0.000 0.261 270 E C -0.351 176.242 176.600 -0.011 0.000 0.879 270 E CA -0.596 55.798 56.400 -0.010 0.000 0.756 270 E CB 1.525 31.221 29.700 -0.007 0.000 1.152 270 E HN 0.391 nan 8.360 nan 0.000 0.416 271 R N 2.507 122.997 120.500 -0.017 0.000 3.225 271 R HA -0.261 4.078 4.340 -0.000 0.000 0.245 271 R C 0.044 176.336 176.300 -0.013 0.000 0.928 271 R CA 0.391 56.480 56.100 -0.018 0.000 0.632 271 R CB -1.721 28.570 30.300 -0.014 0.000 1.038 271 R HN 0.749 nan 8.270 nan 0.000 0.461 272 N N 0.296 118.987 118.700 -0.016 0.000 2.666 272 N HA -0.253 4.487 4.740 -0.000 0.000 0.248 272 N C 1.198 176.712 175.510 0.007 0.000 1.118 272 N CA 1.811 54.857 53.050 -0.008 0.000 0.722 272 N CB -0.226 38.255 38.487 -0.009 0.000 1.050 272 N HN 0.763 nan 8.380 nan 0.000 0.550 273 R N -2.663 117.842 120.500 0.008 0.000 2.237 273 R HA 0.013 4.353 4.340 -0.000 0.000 0.219 273 R C 1.461 177.778 176.300 0.028 0.000 1.080 273 R CA 1.696 57.808 56.100 0.020 0.000 0.995 273 R CB -0.507 29.802 30.300 0.016 0.000 0.875 273 R HN 0.168 nan 8.270 nan 0.000 0.462 274 T N 0.777 115.339 114.554 0.015 0.000 2.812 274 T HA 0.055 4.405 4.350 -0.000 0.000 0.264 274 T C 2.075 176.778 174.700 0.006 0.000 1.042 274 T CA 1.205 63.311 62.100 0.010 0.000 1.140 274 T CB -0.194 68.671 68.868 -0.004 0.000 0.870 274 T HN 0.469 nan 8.240 nan 0.000 0.445 275 A N 1.623 124.447 122.820 0.007 0.000 1.877 275 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 275 A C 2.172 179.768 177.584 0.020 0.000 1.186 275 A CA 1.840 53.882 52.037 0.008 0.000 0.620 275 A CB -0.715 18.297 19.000 0.020 0.000 0.822 275 A HN 0.513 nan 8.150 nan 0.000 0.443 276 E N -0.721 119.500 120.200 0.035 0.000 2.097 276 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 276 E C 2.158 178.797 176.600 0.066 0.000 1.000 276 E CA 1.818 58.248 56.400 0.051 0.000 0.804 276 E CB -0.226 29.508 29.700 0.056 0.000 0.740 276 E HN 0.611 nan 8.360 nan 0.000 0.454 277 M N -0.324 119.317 119.600 0.068 0.000 2.067 277 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 277 M C 2.209 178.509 176.300 0.000 0.000 1.069 277 M CA 1.192 56.540 55.300 0.080 0.000 1.117 277 M CB -0.417 32.229 32.600 0.076 0.000 1.334 277 M HN 0.166 nan 8.290 nan 0.000 0.407 278 L N -0.230 120.975 121.223 -0.030 0.000 1.994 278 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 278 L C 2.500 179.337 176.870 -0.056 0.000 1.071 278 L CA 1.357 56.154 54.840 -0.072 0.000 0.745 278 L CB -1.242 40.772 42.059 -0.075 0.000 0.892 278 L HN 0.059 nan 8.230 nan 0.000 0.431 279 V N 0.104 120.005 119.914 -0.022 0.000 2.317 279 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 279 V C 2.536 178.631 176.094 0.003 0.000 1.065 279 V CA 2.123 64.416 62.300 -0.012 0.000 1.049 279 V CB -1.574 30.254 31.823 0.008 0.000 0.651 279 V HN 0.625 nan 8.190 nan 0.000 0.450 280 G N -0.853 107.972 108.800 0.042 0.000 2.432 280 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.219 280 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.219 280 G C 1.551 176.514 174.900 0.104 0.000 1.135 280 G CA 0.830 46.001 45.100 0.119 0.000 0.767 280 G HN 0.493 nan 8.290 nan 0.000 0.550 281 L N 0.388 121.562 121.223 -0.081 0.000 2.131 281 L HA 0.096 4.435 4.340 -0.000 0.000 0.206 281 L C 3.299 180.099 176.870 -0.116 0.000 1.087 281 L CA 0.776 55.481 54.840 -0.226 0.000 0.767 281 L CB -0.276 41.594 42.059 -0.316 0.000 0.917 281 L HN 0.274 nan 8.230 nan 0.000 0.441 282 A N -0.020 122.747 122.820 -0.089 0.000 2.067 282 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 282 A C 2.218 179.747 177.584 -0.091 0.000 1.158 282 A CA 1.158 53.142 52.037 -0.089 0.000 0.661 282 A CB -0.469 18.483 19.000 -0.080 0.000 0.801 282 A HN 0.364 nan 8.150 nan 0.000 0.452 283 L N -1.216 119.980 121.223 -0.045 0.000 2.095 283 L HA -0.079 4.261 4.340 -0.000 0.000 0.204 283 L C 2.785 179.652 176.870 -0.006 0.000 1.080 283 L CA 1.193 56.018 54.840 -0.025 0.000 0.759 283 L CB -0.493 41.576 42.059 0.016 0.000 0.914 283 L HN 0.296 nan 8.230 nan 0.000 0.439 284 S N 0.338 116.053 115.700 0.024 0.000 2.368 284 S HA -0.169 4.300 4.470 -0.000 0.000 0.225 284 S C 1.836 176.429 174.600 -0.011 0.000 1.030 284 S CA 1.198 59.423 58.200 0.041 0.000 0.999 284 S CB -0.299 62.969 63.200 0.114 0.000 0.844 284 S HN 0.232 nan 8.310 nan 0.000 0.459 285 L N 0.908 122.102 121.223 -0.049 0.000 2.191 285 L HA 0.095 4.435 4.340 -0.000 0.000 0.212 285 L C 1.288 178.099 176.870 -0.099 0.000 1.103 285 L CA 1.479 56.281 54.840 -0.063 0.000 0.769 285 L CB -0.459 41.559 42.059 -0.069 0.000 0.908 285 L HN 0.203 nan 8.230 nan 0.000 0.438 286 L N -0.269 120.871 121.223 -0.138 0.000 2.629 286 L HA 0.383 4.723 4.340 -0.000 0.000 0.230 286 L C 1.534 178.418 176.870 0.022 0.000 1.151 286 L CA 0.793 55.523 54.840 -0.184 0.000 0.924 286 L CB -0.306 41.527 42.059 -0.377 0.000 1.137 286 L HN 0.440 nan 8.230 nan 0.000 0.457 287 G N -1.248 107.559 108.800 0.011 0.000 2.218 287 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 287 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 287 G C 0.675 175.594 174.900 0.031 0.000 0.994 287 G CA -0.010 45.109 45.100 0.030 0.000 0.637 287 G HN 0.287 nan 8.290 nan 0.000 0.505 288 K N 1.117 121.540 120.400 0.038 0.000 2.489 288 K HA 0.397 4.717 4.320 -0.000 0.000 0.278 288 K C 0.267 176.885 176.600 0.029 0.000 1.000 288 K CA 0.376 56.683 56.287 0.033 0.000 1.012 288 K CB 0.132 32.652 32.500 0.033 0.000 0.903 288 K HN 0.434 nan 8.250 nan 0.000 0.485 289 R N 3.596 124.115 120.500 0.033 0.000 2.673 289 R HA 0.215 4.554 4.340 -0.000 0.000 0.281 289 R C 0.675 177.010 176.300 0.057 0.000 0.991 289 R CA -0.808 55.319 56.100 0.045 0.000 0.896 289 R CB 0.847 31.180 30.300 0.056 0.000 1.201 289 R HN 0.501 nan 8.270 nan 0.000 0.457 290 I N 1.056 121.661 120.570 0.057 0.000 2.315 290 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 290 I C 0.731 176.902 176.117 0.089 0.000 1.125 290 I CA 1.738 63.066 61.300 0.048 0.000 1.392 290 I CB -0.147 37.881 38.000 0.046 0.000 1.065 290 I HN 0.396 nan 8.210 nan 0.000 0.424 291 F N 0.000 119.941 119.950 -0.015 0.000 2.286 291 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 291 F CA 0.000 57.992 58.000 -0.014 0.000 1.383 291 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574