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 3ab8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRILLATDGS PQARGAEALA EWLAYKLSAP LTVLFVVDTR LARIPELXXX DATA SEQUENCE XXXXXPVPVL RTELERALAL RGEAVLERVR QSALAAGVAV EAVLEEGVPH DATA SEQUENCE EAILRRARAA DLLVLGRSGE AHGDGFGGLG STADRVLRAS PVPVLLAPGE DATA SEQUENCE PVELEGALLG YDASESAVRA LHALAPLARA LGLGVRVVSV HEDPARAEAW DATA SEQUENCE ALEAEAYLRD HGVEASALVL GGDAADHLLR LQGPGDLLAL GAPVRRLVFG DATA SEQUENCE STAERVIRNA QGPVLTAR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 R N 5.062 125.572 120.500 0.016 0.000 2.255 2 R HA 0.717 5.057 4.340 -0.001 0.000 0.326 2 R C -1.787 174.528 176.300 0.025 0.000 0.986 2 R CA -0.093 56.019 56.100 0.019 0.000 0.847 2 R CB 0.540 30.851 30.300 0.019 0.000 1.111 2 R HN 0.734 nan 8.270 nan 0.000 0.452 3 I N 5.306 125.893 120.570 0.029 0.000 2.353 3 I HA 0.268 4.437 4.170 -0.001 0.000 0.293 3 I C -0.628 175.513 176.117 0.039 0.000 0.992 3 I CA -1.131 60.192 61.300 0.037 0.000 1.268 3 I CB 1.472 39.499 38.000 0.045 0.000 1.387 3 I HN 0.472 nan 8.210 nan 0.000 0.478 4 L N 8.234 129.481 121.223 0.039 0.000 2.294 4 L HA 0.497 4.837 4.340 -0.001 0.000 0.283 4 L C -1.026 175.870 176.870 0.043 0.000 1.015 4 L CA -0.498 54.365 54.840 0.039 0.000 0.831 4 L CB 1.336 43.415 42.059 0.032 0.000 1.217 4 L HN 0.493 nan 8.230 nan 0.000 0.420 5 L N 5.643 126.895 121.223 0.049 0.000 2.275 5 L HA 0.872 5.211 4.340 -0.001 0.000 0.288 5 L C -0.391 176.510 176.870 0.051 0.000 1.046 5 L CA -0.067 54.805 54.840 0.054 0.000 0.805 5 L CB 1.248 43.345 42.059 0.063 0.000 1.193 5 L HN 0.759 nan 8.230 nan 0.000 0.426 6 A N 3.605 126.449 122.820 0.041 0.000 2.287 6 A HA 0.719 5.039 4.320 -0.001 0.000 0.317 6 A C -0.283 177.318 177.584 0.028 0.000 1.220 6 A CA -0.315 51.738 52.037 0.026 0.000 0.835 6 A CB 0.954 19.958 19.000 0.008 0.000 1.180 6 A HN 0.756 nan 8.150 nan 0.000 0.500 7 T N 0.580 115.158 114.554 0.041 0.000 2.912 7 T HA 0.478 4.827 4.350 -0.001 0.000 0.299 7 T C -0.462 174.268 174.700 0.049 0.000 1.052 7 T CA -0.156 61.982 62.100 0.063 0.000 0.996 7 T CB 1.282 70.218 68.868 0.114 0.000 1.070 7 T HN 0.655 nan 8.240 nan 0.000 0.465 8 D N 1.706 122.122 120.400 0.027 0.000 2.363 8 D HA 0.242 4.881 4.640 -0.001 0.000 0.214 8 D C 1.484 177.961 176.300 0.295 0.000 1.093 8 D CA 0.526 54.523 54.000 -0.004 0.000 0.837 8 D CB -0.305 40.446 40.800 -0.082 0.000 0.948 8 D HN 1.066 nan 8.370 nan 0.000 0.507 9 G N 0.601 109.549 108.800 0.248 0.000 2.168 9 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.263 9 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.263 9 G C 0.462 175.436 174.900 0.123 0.000 0.977 9 G CA 0.697 45.911 45.100 0.190 0.000 0.659 9 G HN 0.830 nan 8.290 nan 0.000 0.533 10 S N -0.383 115.382 115.700 0.107 0.000 2.632 10 S HA 0.639 5.108 4.470 -0.001 0.000 0.267 10 S C -0.732 173.907 174.600 0.065 0.000 1.276 10 S CA -0.591 57.657 58.200 0.079 0.000 0.998 10 S CB 2.075 65.320 63.200 0.075 0.000 0.953 10 S HN -0.032 nan 8.310 nan 0.000 0.547 11 P HA -0.067 nan 4.420 nan 0.000 0.217 11 P C 1.478 178.808 177.300 0.051 0.000 1.150 11 P CA 1.023 64.151 63.100 0.048 0.000 0.832 11 P CB 0.032 31.759 31.700 0.044 0.000 0.787 12 Q N -1.123 118.716 119.800 0.065 0.000 2.437 12 Q HA 0.004 4.343 4.340 -0.001 0.000 0.210 12 Q C 1.752 177.785 176.000 0.056 0.000 0.972 12 Q CA 1.196 57.040 55.803 0.069 0.000 0.903 12 Q CB -0.472 28.328 28.738 0.103 0.000 0.967 12 Q HN 0.219 nan 8.270 nan 0.000 0.486 13 A N 0.985 123.839 122.820 0.056 0.000 2.267 13 A HA -0.036 4.283 4.320 -0.001 0.000 0.213 13 A C 1.969 179.580 177.584 0.046 0.000 1.192 13 A CA 0.046 52.114 52.037 0.051 0.000 0.851 13 A CB -0.158 18.879 19.000 0.061 0.000 0.881 13 A HN 0.345 nan 8.150 nan 0.000 0.494 14 R N -0.372 120.151 120.500 0.040 0.000 2.105 14 R HA -0.076 4.264 4.340 -0.001 0.000 0.239 14 R C 1.945 178.257 176.300 0.020 0.000 1.135 14 R CA 1.726 57.844 56.100 0.031 0.000 0.967 14 R CB -1.020 29.294 30.300 0.024 0.000 0.861 14 R HN 0.241 nan 8.270 nan 0.000 0.442 15 G N 0.941 109.748 108.800 0.012 0.000 2.418 15 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 15 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 15 G C 1.701 176.606 174.900 0.009 0.000 1.158 15 G CA 0.836 45.934 45.100 -0.003 0.000 0.771 15 G HN 0.499 nan 8.290 nan 0.000 0.545 16 A N 0.891 123.725 122.820 0.024 0.000 1.898 16 A HA 0.002 4.322 4.320 -0.001 0.000 0.216 16 A C 2.154 179.770 177.584 0.053 0.000 1.181 16 A CA 1.891 53.951 52.037 0.038 0.000 0.620 16 A CB -0.387 18.636 19.000 0.039 0.000 0.819 16 A HN 0.459 nan 8.150 nan 0.000 0.442 17 E N -0.151 120.079 120.200 0.051 0.000 2.058 17 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 17 E C 2.339 178.978 176.600 0.066 0.000 0.997 17 E CA 1.083 57.518 56.400 0.060 0.000 0.801 17 E CB -0.316 29.417 29.700 0.055 0.000 0.746 17 E HN 0.619 nan 8.360 nan 0.000 0.450 18 A N 1.208 124.058 122.820 0.049 0.000 1.877 18 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 18 A C 2.183 179.826 177.584 0.098 0.000 1.186 18 A CA 1.063 53.130 52.037 0.050 0.000 0.620 18 A CB -0.556 18.443 19.000 -0.002 0.000 0.822 18 A HN 0.213 nan 8.150 nan 0.000 0.443 19 L N -0.211 121.059 121.223 0.078 0.000 2.046 19 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 19 L C 2.692 179.702 176.870 0.233 0.000 1.077 19 L CA 2.154 57.081 54.840 0.145 0.000 0.747 19 L CB -0.808 41.299 42.059 0.081 0.000 0.896 19 L HN 0.353 nan 8.230 nan 0.000 0.432 20 A N -0.725 122.188 122.820 0.154 0.000 1.883 20 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 20 A C 2.158 179.836 177.584 0.157 0.000 1.186 20 A CA 1.922 54.042 52.037 0.139 0.000 0.624 20 A CB -0.675 18.384 19.000 0.098 0.000 0.822 20 A HN 0.614 nan 8.150 nan 0.000 0.444 21 E N -1.858 118.437 120.200 0.158 0.000 2.077 21 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 21 E C 1.813 178.549 176.600 0.227 0.000 0.989 21 E CA 1.299 57.793 56.400 0.156 0.000 0.800 21 E CB -0.266 29.506 29.700 0.120 0.000 0.746 21 E HN 0.859 nan 8.360 nan 0.000 0.452 22 W N 1.654 122.991 121.300 0.062 0.000 2.358 22 W HA -0.142 4.517 4.660 -0.001 0.000 0.303 22 W C 1.823 178.417 176.519 0.126 0.000 1.208 22 W CA 1.271 58.668 57.345 0.087 0.000 1.274 22 W CB -0.251 29.241 29.460 0.053 0.000 1.138 22 W HN -0.052 nan 8.180 nan 0.000 0.515 23 L N 0.237 121.602 121.223 0.236 0.000 2.056 23 L HA -0.171 4.168 4.340 -0.001 0.000 0.207 23 L C 2.714 179.572 176.870 -0.020 0.000 1.078 23 L CA 1.352 56.211 54.840 0.033 0.000 0.749 23 L CB -1.377 40.764 42.059 0.136 0.000 0.901 23 L HN 0.075 nan 8.230 nan 0.000 0.433 24 A N -0.647 122.207 122.820 0.056 0.000 1.908 24 A HA -0.297 4.022 4.320 -0.001 0.000 0.218 24 A C 2.183 179.781 177.584 0.023 0.000 1.181 24 A CA 1.726 53.788 52.037 0.041 0.000 0.627 24 A CB -0.884 18.161 19.000 0.075 0.000 0.818 24 A HN 0.467 nan 8.150 nan 0.000 0.445 25 Y N 0.637 120.888 120.300 -0.081 0.000 2.133 25 Y HA -0.166 4.383 4.550 -0.001 0.000 0.287 25 Y C 2.239 178.033 175.900 -0.177 0.000 1.134 25 Y CA 2.184 60.220 58.100 -0.107 0.000 1.133 25 Y CB -0.085 38.320 38.460 -0.092 0.000 0.987 25 Y HN 0.113 nan 8.280 nan 0.000 0.502 26 K N -0.254 119.980 120.400 -0.276 0.000 2.097 26 K HA -0.109 4.210 4.320 -0.001 0.000 0.206 26 K C 1.630 178.046 176.600 -0.307 0.000 1.049 26 K CA 1.158 57.200 56.287 -0.408 0.000 0.933 26 K CB -0.450 31.682 32.500 -0.614 0.000 0.717 26 K HN 0.322 nan 8.250 nan 0.000 0.442 27 L N 0.633 121.724 121.223 -0.221 0.000 2.607 27 L HA 0.138 4.478 4.340 -0.001 0.000 0.228 27 L C 0.244 177.036 176.870 -0.131 0.000 1.123 27 L CA 0.394 55.144 54.840 -0.149 0.000 0.890 27 L CB -0.343 41.660 42.059 -0.095 0.000 1.103 27 L HN -0.028 nan 8.230 nan 0.000 0.468 28 S N -0.001 115.602 115.700 -0.161 0.000 3.631 28 S HA -0.165 4.305 4.470 -0.001 0.000 0.366 28 S C 0.513 175.072 174.600 -0.068 0.000 0.993 28 S CA 0.541 58.664 58.200 -0.128 0.000 1.167 28 S CB -1.373 61.747 63.200 -0.133 0.000 0.909 28 S HN 0.550 nan 8.310 nan 0.000 0.478 29 A N 1.594 124.386 122.820 -0.046 0.000 2.340 29 A HA 0.826 5.146 4.320 -0.001 0.000 0.331 29 A C -2.157 175.428 177.584 0.002 0.000 1.140 29 A CA -1.896 50.130 52.037 -0.019 0.000 0.801 29 A CB 0.915 19.907 19.000 -0.012 0.000 1.234 29 A HN 0.223 nan 8.150 nan 0.000 0.469 30 P HA 0.367 nan 4.420 nan 0.000 0.275 30 P C -1.064 176.252 177.300 0.027 0.000 1.228 30 P CA -0.147 62.964 63.100 0.017 0.000 0.786 30 P CB 1.084 32.793 31.700 0.014 0.000 0.927 31 L N 2.138 123.382 121.223 0.034 0.000 2.365 31 L HA 0.546 4.886 4.340 -0.001 0.000 0.273 31 L C -0.632 176.262 176.870 0.040 0.000 1.000 31 L CA -0.004 54.861 54.840 0.042 0.000 0.819 31 L CB 2.052 44.143 42.059 0.053 0.000 1.284 31 L HN 0.261 nan 8.230 nan 0.000 0.418 32 T N 4.221 118.800 114.554 0.041 0.000 2.792 32 T HA 0.632 4.981 4.350 -0.001 0.000 0.280 32 T C -0.876 173.853 174.700 0.049 0.000 0.990 32 T CA -0.355 61.770 62.100 0.041 0.000 0.960 32 T CB 1.427 70.316 68.868 0.036 0.000 0.939 32 T HN 0.363 nan 8.240 nan 0.000 0.439 33 V N 4.793 124.739 119.914 0.054 0.000 2.417 33 V HA 0.580 4.699 4.120 -0.001 0.000 0.291 33 V C -0.495 175.647 176.094 0.079 0.000 1.024 33 V CA -0.865 61.475 62.300 0.067 0.000 0.861 33 V CB 1.392 33.257 31.823 0.070 0.000 0.985 33 V HN 0.685 nan 8.190 nan 0.000 0.436 34 L N 5.678 126.951 121.223 0.084 0.000 2.341 34 L HA 0.731 5.070 4.340 -0.001 0.000 0.278 34 L C -1.264 175.686 176.870 0.132 0.000 1.005 34 L CA -0.243 54.653 54.840 0.093 0.000 0.818 34 L CB 1.543 43.632 42.059 0.050 0.000 1.259 34 L HN 0.564 nan 8.230 nan 0.000 0.418 35 F N 5.439 125.398 119.950 0.014 0.000 2.493 35 F HA 0.733 5.259 4.527 -0.001 0.000 0.329 35 F C -1.155 174.651 175.800 0.009 0.000 1.126 35 F CA -0.681 57.327 58.000 0.014 0.000 0.937 35 F CB 1.758 40.766 39.000 0.013 0.000 1.146 35 F HN 0.253 nan 8.300 nan 0.000 0.442 36 V N 6.631 126.280 119.914 -0.441 0.000 2.398 36 V HA 0.287 4.406 4.120 -0.001 0.000 0.286 36 V C -0.355 175.611 176.094 -0.215 0.000 1.026 36 V CA -0.955 61.219 62.300 -0.210 0.000 0.868 36 V CB 1.317 33.025 31.823 -0.192 0.000 0.982 36 V HN 0.567 nan 8.190 nan 0.000 0.443 37 V N 4.116 124.076 119.914 0.078 0.000 2.415 37 V HA 0.078 4.197 4.120 -0.001 0.000 0.267 37 V C 0.560 176.665 176.094 0.019 0.000 1.042 37 V CA -0.059 62.326 62.300 0.141 0.000 1.000 37 V CB 0.780 32.690 31.823 0.146 0.000 1.015 37 V HN 0.860 nan 8.190 nan 0.000 0.478 38 D N 4.491 124.885 120.400 -0.010 0.000 2.342 38 D HA 0.014 4.653 4.640 -0.001 0.000 0.260 38 D C 1.575 177.870 176.300 -0.010 0.000 1.278 38 D CA 0.341 54.321 54.000 -0.033 0.000 0.910 38 D CB 1.447 42.222 40.800 -0.042 0.000 1.079 38 D HN 0.757 nan 8.370 nan 0.000 0.496 39 T N 1.510 116.053 114.554 -0.018 0.000 2.962 39 T HA -0.126 4.224 4.350 -0.001 0.000 0.270 39 T C 1.711 176.405 174.700 -0.010 0.000 1.088 39 T CA 0.672 62.765 62.100 -0.011 0.000 1.127 39 T CB 0.030 68.888 68.868 -0.018 0.000 0.883 39 T HN 0.345 nan 8.240 nan 0.000 0.493 40 R N 0.452 120.944 120.500 -0.014 0.000 2.148 40 R HA 0.188 4.527 4.340 -0.001 0.000 0.227 40 R C 2.272 178.569 176.300 -0.005 0.000 1.103 40 R CA 0.988 57.083 56.100 -0.009 0.000 0.983 40 R CB -0.448 29.848 30.300 -0.007 0.000 0.874 40 R HN 0.407 nan 8.270 nan 0.000 0.451 41 L N -0.607 120.614 121.223 -0.002 0.000 2.145 41 L HA 0.088 4.427 4.340 -0.001 0.000 0.201 41 L C 2.591 179.464 176.870 0.006 0.000 1.075 41 L CA 0.685 55.526 54.840 0.002 0.000 0.773 41 L CB -0.481 41.584 42.059 0.009 0.000 0.936 41 L HN 0.147 nan 8.230 nan 0.000 0.451 42 A N 0.726 123.552 122.820 0.010 0.000 1.978 42 A HA -0.233 4.086 4.320 -0.001 0.000 0.220 42 A C 2.502 180.089 177.584 0.006 0.000 1.170 42 A CA 2.119 54.163 52.037 0.011 0.000 0.636 42 A CB -0.806 18.203 19.000 0.015 0.000 0.810 42 A HN 0.409 nan 8.150 nan 0.000 0.448 43 R N -0.065 120.436 120.500 0.002 0.000 2.313 43 R HA 0.408 4.748 4.340 -0.001 0.000 0.199 43 R C 1.590 177.890 176.300 -0.001 0.000 0.958 43 R CA 0.762 56.862 56.100 0.000 0.000 1.047 43 R CB -1.343 28.956 30.300 -0.002 0.000 0.955 43 R HN 0.673 nan 8.270 nan 0.000 0.481 44 I N 0.847 121.417 120.570 -0.001 0.000 2.194 44 I HA -0.230 3.940 4.170 -0.001 0.000 0.246 44 I C -0.580 175.536 176.117 -0.002 0.000 1.093 44 I CA 1.506 62.804 61.300 -0.002 0.000 1.355 44 I CB -0.787 37.211 38.000 -0.003 0.000 1.046 44 I HN 0.225 nan 8.210 nan 0.000 0.413 45 P HA -0.181 nan 4.420 nan 0.000 0.221 45 P C 1.031 178.330 177.300 -0.001 0.000 1.145 45 P CA 1.267 64.367 63.100 -0.001 0.000 0.795 45 P CB -0.115 31.585 31.700 0.000 0.000 0.775 46 E N -1.063 119.136 120.200 -0.001 0.000 2.409 46 E HA -0.055 4.294 4.350 -0.001 0.000 0.198 46 E C 0.763 177.362 176.600 -0.002 0.000 1.024 46 E CA 0.274 56.673 56.400 -0.002 0.000 0.861 46 E CB -0.239 29.460 29.700 -0.001 0.000 0.788 46 E HN 0.334 nan 8.360 nan 0.000 0.521 57 V N 0.397 120.311 119.914 -0.000 0.000 2.332 57 V HA -0.119 4.001 4.120 -0.001 0.000 0.248 57 V C -0.769 175.325 176.094 0.000 0.000 1.055 57 V CA 2.388 64.688 62.300 -0.000 0.000 1.038 57 V CB -1.871 29.952 31.823 -0.001 0.000 0.651 57 V HN 0.544 nan 8.190 nan 0.000 0.450 58 P HA -0.122 nan 4.420 nan 0.000 0.216 58 P C 1.871 179.172 177.300 0.001 0.000 1.150 58 P CA 1.274 64.374 63.100 0.001 0.000 0.843 58 P CB -0.066 31.634 31.700 0.001 0.000 0.787 59 V N -0.735 119.180 119.914 0.001 0.000 2.358 59 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 59 V C 2.396 178.491 176.094 0.001 0.000 1.047 59 V CA 1.587 63.888 62.300 0.001 0.000 1.035 59 V CB -1.215 30.608 31.823 0.000 0.000 0.658 59 V HN 0.074 nan 8.190 nan 0.000 0.452 60 L N -0.265 120.958 121.223 0.001 0.000 2.046 60 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 60 L C 2.727 179.598 176.870 0.003 0.000 1.077 60 L CA 1.860 56.701 54.840 0.001 0.000 0.747 60 L CB -0.655 41.405 42.059 0.001 0.000 0.896 60 L HN 0.266 nan 8.230 nan 0.000 0.432 61 R N -0.111 120.390 120.500 0.003 0.000 2.081 61 R HA -0.148 4.192 4.340 -0.001 0.000 0.235 61 R C 2.206 178.510 176.300 0.006 0.000 1.131 61 R CA 1.966 58.069 56.100 0.004 0.000 0.960 61 R CB -0.254 30.048 30.300 0.003 0.000 0.856 61 R HN 0.236 nan 8.270 nan 0.000 0.436 62 T N 0.867 115.424 114.554 0.005 0.000 2.788 62 T HA -0.108 4.242 4.350 -0.001 0.000 0.268 62 T C 1.380 176.083 174.700 0.006 0.000 1.044 62 T CA 1.619 63.723 62.100 0.005 0.000 1.139 62 T CB -0.100 68.770 68.868 0.004 0.000 0.867 62 T HN 0.456 nan 8.240 nan 0.000 0.454 63 E N 0.737 120.940 120.200 0.005 0.000 2.106 63 E HA -0.013 4.337 4.350 -0.001 0.000 0.192 63 E C 2.193 178.797 176.600 0.007 0.000 0.984 63 E CA 0.745 57.147 56.400 0.004 0.000 0.806 63 E CB -0.220 29.482 29.700 0.002 0.000 0.750 63 E HN 0.420 nan 8.360 nan 0.000 0.458 64 L N 0.885 122.113 121.223 0.008 0.000 2.072 64 L HA -0.149 4.191 4.340 -0.001 0.000 0.205 64 L C 2.320 179.202 176.870 0.019 0.000 1.079 64 L CA 1.109 55.956 54.840 0.013 0.000 0.752 64 L CB -0.393 41.673 42.059 0.012 0.000 0.906 64 L HN 0.121 nan 8.230 nan 0.000 0.436 65 E N 0.091 120.302 120.200 0.019 0.000 2.085 65 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 65 E C 2.237 178.851 176.600 0.024 0.000 0.994 65 E CA 1.123 57.538 56.400 0.026 0.000 0.801 65 E CB -0.137 29.575 29.700 0.020 0.000 0.743 65 E HN 0.325 nan 8.360 nan 0.000 0.453 66 R N 0.813 121.322 120.500 0.014 0.000 2.091 66 R HA -0.170 4.169 4.340 -0.001 0.000 0.238 66 R C 2.255 178.557 176.300 0.003 0.000 1.136 66 R CA 1.442 57.546 56.100 0.007 0.000 0.959 66 R CB -0.199 30.103 30.300 0.003 0.000 0.856 66 R HN 0.154 nan 8.270 nan 0.000 0.437 67 A N 0.932 123.756 122.820 0.007 0.000 1.873 67 A HA -0.111 4.209 4.320 -0.001 0.000 0.215 67 A C 2.202 179.791 177.584 0.009 0.000 1.186 67 A CA 1.246 53.285 52.037 0.004 0.000 0.616 67 A CB -0.574 18.431 19.000 0.008 0.000 0.823 67 A HN 0.348 nan 8.150 nan 0.000 0.442 68 L N -0.716 120.528 121.223 0.035 0.000 2.083 68 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 68 L C 3.070 179.977 176.870 0.063 0.000 1.083 68 L CA 1.094 55.981 54.840 0.079 0.000 0.752 68 L CB -0.548 41.577 42.059 0.109 0.000 0.899 68 L HN 0.448 nan 8.230 nan 0.000 0.433 69 A N 0.005 122.847 122.820 0.036 0.000 1.898 69 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 69 A C 2.252 179.790 177.584 -0.077 0.000 1.181 69 A CA 1.246 53.286 52.037 0.005 0.000 0.620 69 A CB -0.592 18.417 19.000 0.015 0.000 0.819 69 A HN 0.350 nan 8.150 nan 0.000 0.442 70 L N -0.865 120.319 121.223 -0.065 0.000 2.093 70 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 70 L C 2.772 179.555 176.870 -0.145 0.000 1.085 70 L CA 1.698 56.486 54.840 -0.086 0.000 0.755 70 L CB -0.442 41.586 42.059 -0.052 0.000 0.904 70 L HN 0.552 nan 8.230 nan 0.000 0.435 71 R N 0.513 120.919 120.500 -0.157 0.000 2.081 71 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 71 R C 2.239 178.237 176.300 -0.504 0.000 1.131 71 R CA 1.593 57.562 56.100 -0.217 0.000 0.960 71 R CB -0.661 29.569 30.300 -0.116 0.000 0.856 71 R HN 0.268 nan 8.270 nan 0.000 0.436 72 G N 0.568 108.882 108.800 -0.810 0.000 2.440 72 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.218 72 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.218 72 G C 1.131 175.630 174.900 -0.669 0.000 1.154 72 G CA 0.961 45.124 45.100 -1.561 0.000 0.767 72 G HN 0.493 nan 8.290 nan 0.000 0.552 73 E N 0.457 120.450 120.200 -0.344 0.000 2.110 73 E HA -0.034 4.315 4.350 -0.001 0.000 0.193 73 E C 2.899 179.402 176.600 -0.162 0.000 0.988 73 E CA 0.742 57.033 56.400 -0.182 0.000 0.804 73 E CB -0.159 29.474 29.700 -0.112 0.000 0.745 73 E HN 0.432 nan 8.360 nan 0.000 0.458 74 A N 0.812 123.522 122.820 -0.184 0.000 1.898 74 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 74 A C 2.489 180.001 177.584 -0.121 0.000 1.181 74 A CA 1.031 52.992 52.037 -0.127 0.000 0.620 74 A CB -0.581 18.352 19.000 -0.112 0.000 0.819 74 A HN 0.109 nan 8.150 nan 0.000 0.442 75 V N 0.261 120.061 119.914 -0.190 0.000 2.295 75 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 75 V C 2.582 178.646 176.094 -0.050 0.000 1.049 75 V CA 1.996 64.230 62.300 -0.110 0.000 1.024 75 V CB -0.821 30.925 31.823 -0.129 0.000 0.648 75 V HN 0.566 nan 8.190 nan 0.000 0.447 76 L N 0.131 121.308 121.223 -0.078 0.000 2.046 76 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 76 L C 3.029 179.893 176.870 -0.010 0.000 1.077 76 L CA 2.064 56.897 54.840 -0.012 0.000 0.747 76 L CB -1.067 40.984 42.059 -0.014 0.000 0.896 76 L HN 0.540 nan 8.230 nan 0.000 0.432 77 E N 0.721 120.902 120.200 -0.032 0.000 2.077 77 E HA -0.287 4.062 4.350 -0.001 0.000 0.193 77 E C 2.193 178.787 176.600 -0.009 0.000 0.989 77 E CA 1.562 57.950 56.400 -0.020 0.000 0.800 77 E CB -0.637 29.044 29.700 -0.030 0.000 0.746 77 E HN 0.507 nan 8.360 nan 0.000 0.452 78 R N -0.195 120.297 120.500 -0.012 0.000 2.070 78 R HA -0.095 4.244 4.340 -0.001 0.000 0.233 78 R C 2.479 178.786 176.300 0.012 0.000 1.137 78 R CA 1.762 57.861 56.100 -0.001 0.000 0.945 78 R CB -0.585 29.713 30.300 -0.002 0.000 0.845 78 R HN 0.324 nan 8.270 nan 0.000 0.430 79 V N 1.436 121.362 119.914 0.021 0.000 2.343 79 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 79 V C 2.636 178.749 176.094 0.031 0.000 1.051 79 V CA 2.207 64.527 62.300 0.034 0.000 1.036 79 V CB -0.756 31.097 31.823 0.050 0.000 0.654 79 V HN 0.438 nan 8.190 nan 0.000 0.451 80 R N 0.175 120.690 120.500 0.026 0.000 2.091 80 R HA -0.236 4.104 4.340 -0.001 0.000 0.238 80 R C 2.467 178.779 176.300 0.021 0.000 1.136 80 R CA 2.280 58.395 56.100 0.025 0.000 0.959 80 R CB -0.444 29.867 30.300 0.019 0.000 0.856 80 R HN 0.597 nan 8.270 nan 0.000 0.437 81 Q N 0.171 119.980 119.800 0.014 0.000 2.084 81 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 81 Q C 2.141 178.149 176.000 0.013 0.000 0.978 81 Q CA 2.088 57.897 55.803 0.011 0.000 0.844 81 Q CB -0.847 27.895 28.738 0.005 0.000 0.898 81 Q HN 0.588 nan 8.270 nan 0.000 0.426 82 S N 0.502 116.211 115.700 0.015 0.000 2.348 82 S HA 0.022 4.491 4.470 -0.001 0.000 0.221 82 S C 2.498 177.110 174.600 0.018 0.000 1.033 82 S CA 1.273 59.482 58.200 0.014 0.000 1.010 82 S CB -0.614 62.597 63.200 0.019 0.000 0.891 82 S HN 0.937 nan 8.310 nan 0.000 0.442 83 A N 1.661 124.500 122.820 0.031 0.000 1.865 83 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 83 A C 2.158 179.767 177.584 0.041 0.000 1.191 83 A CA 1.409 53.472 52.037 0.043 0.000 0.623 83 A CB -0.963 18.067 19.000 0.050 0.000 0.826 83 A HN 0.447 nan 8.150 nan 0.000 0.444 84 L N -0.807 120.436 121.223 0.033 0.000 2.127 84 L HA -0.235 4.104 4.340 -0.001 0.000 0.211 84 L C 3.041 179.928 176.870 0.029 0.000 1.089 84 L CA 0.996 55.855 54.840 0.031 0.000 0.757 84 L CB -0.522 41.551 42.059 0.023 0.000 0.899 84 L HN 0.473 nan 8.230 nan 0.000 0.434 85 A N -0.103 122.728 122.820 0.019 0.000 1.972 85 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 85 A C 2.384 179.972 177.584 0.007 0.000 1.169 85 A CA 1.566 53.609 52.037 0.010 0.000 0.635 85 A CB -0.508 18.492 19.000 -0.000 0.000 0.810 85 A HN 0.395 nan 8.150 nan 0.000 0.446 86 A N -2.054 120.769 122.820 0.005 0.000 2.208 86 A HA 0.409 4.728 4.320 -0.001 0.000 0.209 86 A C 1.788 179.442 177.584 0.117 0.000 1.161 86 A CA 1.241 53.269 52.037 -0.014 0.000 0.782 86 A CB -0.762 18.192 19.000 -0.077 0.000 0.816 86 A HN 1.849 nan 8.150 nan 0.000 0.477 87 G N -1.706 107.153 108.800 0.097 0.000 2.157 87 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.239 87 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.239 87 G C 0.174 175.135 174.900 0.102 0.000 0.982 87 G CA 0.066 45.230 45.100 0.106 0.000 0.650 87 G HN 0.722 nan 8.290 nan 0.000 0.527 88 V N 1.301 121.280 119.914 0.109 0.000 2.614 88 V HA 0.575 4.694 4.120 -0.001 0.000 0.291 88 V C 1.128 177.255 176.094 0.055 0.000 1.049 88 V CA 0.153 62.505 62.300 0.088 0.000 1.038 88 V CB 1.474 33.358 31.823 0.101 0.000 0.980 88 V HN 1.160 nan 8.190 nan 0.000 0.481 89 A N 5.431 128.275 122.820 0.040 0.000 2.376 89 A HA 0.529 4.849 4.320 -0.001 0.000 0.298 89 A C -0.316 177.287 177.584 0.032 0.000 1.271 89 A CA -0.038 52.017 52.037 0.030 0.000 0.926 89 A CB 0.294 19.306 19.000 0.020 0.000 1.141 89 A HN 0.863 nan 8.150 nan 0.000 0.539 90 V N 3.126 123.059 119.914 0.033 0.000 2.604 90 V HA 0.601 4.720 4.120 -0.001 0.000 0.305 90 V C -0.341 175.771 176.094 0.030 0.000 1.043 90 V CA -0.632 61.689 62.300 0.034 0.000 0.888 90 V CB 1.701 33.547 31.823 0.039 0.000 0.995 90 V HN 0.944 nan 8.190 nan 0.000 0.429 91 E N 5.301 125.519 120.200 0.031 0.000 2.187 91 E HA 0.759 5.108 4.350 -0.001 0.000 0.268 91 E C -0.837 175.783 176.600 0.034 0.000 0.896 91 E CA -0.762 55.655 56.400 0.029 0.000 0.766 91 E CB 1.933 31.649 29.700 0.026 0.000 1.142 91 E HN 0.963 nan 8.360 nan 0.000 0.408 92 A N 3.697 126.537 122.820 0.032 0.000 2.304 92 A HA 0.581 4.900 4.320 -0.001 0.000 0.323 92 A C -1.011 176.597 177.584 0.041 0.000 1.195 92 A CA -0.614 51.446 52.037 0.039 0.000 0.826 92 A CB 1.329 20.347 19.000 0.030 0.000 1.184 92 A HN 0.398 nan 8.150 nan 0.000 0.496 93 V N 3.292 123.240 119.914 0.056 0.000 2.525 93 V HA 0.393 4.512 4.120 -0.001 0.000 0.299 93 V C -0.990 175.155 176.094 0.085 0.000 1.034 93 V CA -0.439 61.896 62.300 0.057 0.000 0.863 93 V CB 1.480 33.333 31.823 0.049 0.000 0.999 93 V HN 0.809 nan 8.190 nan 0.000 0.423 94 L N 5.109 126.379 121.223 0.078 0.000 2.276 94 L HA 0.651 4.990 4.340 -0.001 0.000 0.286 94 L C -0.031 176.893 176.870 0.090 0.000 1.024 94 L CA 0.492 55.399 54.840 0.111 0.000 0.826 94 L CB 0.947 43.051 42.059 0.076 0.000 1.211 94 L HN 0.619 nan 8.230 nan 0.000 0.422 95 E N 3.331 123.592 120.200 0.101 0.000 2.264 95 E HA 0.442 4.791 4.350 -0.001 0.000 0.260 95 E C -1.222 175.412 176.600 0.056 0.000 0.961 95 E CA -0.607 55.827 56.400 0.055 0.000 0.834 95 E CB 2.302 32.017 29.700 0.025 0.000 1.230 95 E HN 0.576 nan 8.360 nan 0.000 0.412 96 E N -0.185 120.030 120.200 0.025 0.000 2.278 96 E HA 0.553 4.902 4.350 -0.001 0.000 0.272 96 E C -0.689 175.905 176.600 -0.011 0.000 0.890 96 E CA -0.462 55.949 56.400 0.017 0.000 0.770 96 E CB 1.312 31.028 29.700 0.026 0.000 1.212 96 E HN 0.665 nan 8.360 nan 0.000 0.415 97 G N 1.349 110.132 108.800 -0.030 0.000 2.368 97 G HA2 0.073 4.032 3.960 -0.001 0.000 0.269 97 G HA3 0.073 4.032 3.960 -0.001 0.000 0.269 97 G C -1.338 173.512 174.900 -0.083 0.000 1.291 97 G CA -0.434 44.634 45.100 -0.053 0.000 0.903 97 G HN 0.390 nan 8.290 nan 0.000 0.483 98 V N 2.854 122.691 119.914 -0.128 0.000 2.455 98 V HA 0.271 4.390 4.120 -0.001 0.000 0.273 98 V C -0.848 175.110 176.094 -0.227 0.000 1.045 98 V CA -0.479 61.710 62.300 -0.185 0.000 0.976 98 V CB 1.322 32.978 31.823 -0.278 0.000 0.993 98 V HN 0.558 nan 8.190 nan 0.000 0.475 99 P HA -0.270 nan 4.420 nan 0.000 0.216 99 P C 1.707 178.950 177.300 -0.096 0.000 1.167 99 P CA 2.157 65.186 63.100 -0.118 0.000 0.933 99 P CB -0.154 31.501 31.700 -0.075 0.000 0.793 100 H N -0.497 118.552 119.070 -0.034 0.000 2.422 100 H HA -0.087 4.468 4.556 -0.001 0.000 0.298 100 H C 1.572 176.889 175.328 -0.018 0.000 1.098 100 H CA 1.445 57.479 56.048 -0.023 0.000 1.315 100 H CB -0.837 28.915 29.762 -0.016 0.000 1.382 100 H HN 0.251 nan 8.280 nan 0.000 0.523 101 E N 1.055 120.991 120.200 -0.439 0.000 2.047 101 E HA -0.038 4.311 4.350 -0.001 0.000 0.191 101 E C 2.624 179.164 176.600 -0.100 0.000 0.987 101 E CA 0.942 57.205 56.400 -0.229 0.000 0.799 101 E CB -0.025 29.495 29.700 -0.299 0.000 0.752 101 E HN 0.589 nan 8.360 nan 0.000 0.449 102 A N 1.034 123.790 122.820 -0.107 0.000 1.930 102 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 102 A C 2.144 179.711 177.584 -0.029 0.000 1.175 102 A CA 0.939 52.942 52.037 -0.057 0.000 0.627 102 A CB -0.522 18.442 19.000 -0.059 0.000 0.815 102 A HN 0.133 nan 8.150 nan 0.000 0.443 103 I N -0.411 120.145 120.570 -0.024 0.000 2.226 103 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 103 I C 2.318 178.443 176.117 0.014 0.000 1.100 103 I CA 1.080 62.381 61.300 0.001 0.000 1.374 103 I CB -0.324 37.683 38.000 0.012 0.000 1.057 103 I HN 0.276 nan 8.210 nan 0.000 0.413 104 L N 0.279 121.516 121.223 0.023 0.000 2.141 104 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 104 L C 2.771 179.651 176.870 0.017 0.000 1.094 104 L CA 1.167 56.025 54.840 0.029 0.000 0.763 104 L CB -0.516 41.574 42.059 0.052 0.000 0.908 104 L HN 0.242 nan 8.230 nan 0.000 0.437 105 R N -0.025 120.479 120.500 0.006 0.000 2.066 105 R HA -0.115 4.225 4.340 -0.001 0.000 0.232 105 R C 2.442 178.746 176.300 0.008 0.000 1.131 105 R CA 1.004 57.107 56.100 0.004 0.000 0.955 105 R CB -0.014 30.284 30.300 -0.004 0.000 0.851 105 R HN 0.149 nan 8.270 nan 0.000 0.432 106 R N 0.313 120.817 120.500 0.008 0.000 2.152 106 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 106 R C 2.037 178.346 176.300 0.015 0.000 1.117 106 R CA 1.144 57.252 56.100 0.012 0.000 0.981 106 R CB -0.544 29.765 30.300 0.014 0.000 0.870 106 R HN 0.347 nan 8.270 nan 0.000 0.451 107 A N 1.196 124.026 122.820 0.016 0.000 2.019 107 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 107 A C 2.056 179.650 177.584 0.017 0.000 1.164 107 A CA 0.878 52.926 52.037 0.018 0.000 0.644 107 A CB -0.335 18.677 19.000 0.019 0.000 0.805 107 A HN 0.234 nan 8.150 nan 0.000 0.449 108 R N -0.562 119.947 120.500 0.014 0.000 2.200 108 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 108 R C 1.656 177.964 176.300 0.014 0.000 1.127 108 R CA 1.119 57.227 56.100 0.013 0.000 0.989 108 R CB -0.309 29.997 30.300 0.011 0.000 0.869 108 R HN 0.480 nan 8.270 nan 0.000 0.459 109 A N 0.107 122.936 122.820 0.015 0.000 2.465 109 A HA 0.486 4.805 4.320 -0.001 0.000 0.255 109 A C 0.396 177.991 177.584 0.017 0.000 1.274 109 A CA -0.049 51.997 52.037 0.015 0.000 0.920 109 A CB 0.406 19.415 19.000 0.015 0.000 1.033 109 A HN 0.242 nan 8.150 nan 0.000 0.516 110 A N -0.875 121.957 122.820 0.019 0.000 2.346 110 A HA 0.640 4.959 4.320 -0.001 0.000 0.313 110 A C -0.116 177.481 177.584 0.021 0.000 1.140 110 A CA -0.369 51.680 52.037 0.021 0.000 0.826 110 A CB 0.873 19.887 19.000 0.024 0.000 1.332 110 A HN 0.099 nan 8.150 nan 0.000 0.457 111 D N -0.951 119.463 120.400 0.023 0.000 2.423 111 D HA 0.228 4.868 4.640 -0.001 0.000 0.208 111 D C -0.688 175.628 176.300 0.027 0.000 1.068 111 D CA 0.649 54.664 54.000 0.025 0.000 0.860 111 D CB 0.967 41.781 40.800 0.024 0.000 0.992 111 D HN 0.246 nan 8.370 nan 0.000 0.504 112 L N 0.897 122.138 121.223 0.029 0.000 2.565 112 L HA 0.357 4.696 4.340 -0.001 0.000 0.261 112 L C -2.120 174.770 176.870 0.034 0.000 0.932 112 L CA -0.661 54.199 54.840 0.033 0.000 0.878 112 L CB 2.051 44.133 42.059 0.038 0.000 1.333 112 L HN -0.326 nan 8.230 nan 0.000 0.409 113 L N 4.754 125.997 121.223 0.033 0.000 2.331 113 L HA 0.799 5.138 4.340 -0.001 0.000 0.275 113 L C -0.747 176.145 176.870 0.038 0.000 1.022 113 L CA -0.472 54.388 54.840 0.033 0.000 0.812 113 L CB 2.123 44.199 42.059 0.027 0.000 1.257 113 L HN 0.403 nan 8.230 nan 0.000 0.435 114 V N 4.432 124.371 119.914 0.042 0.000 2.482 114 V HA 0.594 4.714 4.120 -0.001 0.000 0.295 114 V C -0.649 175.469 176.094 0.039 0.000 1.026 114 V CA -0.485 61.842 62.300 0.046 0.000 0.856 114 V CB 1.692 33.551 31.823 0.060 0.000 1.001 114 V HN 0.442 nan 8.190 nan 0.000 0.424 115 L N 3.048 124.290 121.223 0.032 0.000 2.327 115 L HA 0.906 5.245 4.340 -0.001 0.000 0.258 115 L C 0.689 177.574 176.870 0.025 0.000 1.024 115 L CA -0.002 54.855 54.840 0.028 0.000 0.825 115 L CB 2.009 44.081 42.059 0.022 0.000 1.386 115 L HN 0.692 nan 8.230 nan 0.000 0.417 116 G N -0.273 108.543 108.800 0.027 0.000 2.504 116 G HA2 0.414 4.374 3.960 -0.001 0.000 0.288 116 G HA3 0.414 4.374 3.960 -0.001 0.000 0.288 116 G C 0.493 175.405 174.900 0.019 0.000 1.182 116 G CA -0.404 44.711 45.100 0.025 0.000 0.894 116 G HN 0.640 nan 8.290 nan 0.000 0.521 117 R N -0.477 120.027 120.500 0.008 0.000 2.075 117 R HA 0.026 4.366 4.340 -0.001 0.000 0.232 117 R C 1.384 177.699 176.300 0.026 0.000 1.126 117 R CA 1.546 57.640 56.100 -0.009 0.000 0.963 117 R CB -0.145 30.121 30.300 -0.056 0.000 0.858 117 R HN 0.586 nan 8.270 nan 0.000 0.435 118 S N -1.817 113.922 115.700 0.065 0.000 2.851 118 S HA 0.792 5.261 4.470 -0.001 0.000 0.313 118 S C -0.003 174.666 174.600 0.116 0.000 1.163 118 S CA -0.523 57.752 58.200 0.125 0.000 0.850 118 S CB 2.226 65.574 63.200 0.247 0.000 1.245 118 S HN 0.219 nan 8.310 nan 0.000 0.558 119 G N -0.098 108.790 108.800 0.148 0.000 3.039 119 G HA2 0.426 4.385 3.960 -0.001 0.000 0.202 119 G HA3 0.426 4.385 3.960 -0.001 0.000 0.202 119 G C 0.331 175.295 174.900 0.107 0.000 1.151 119 G CA 0.094 45.258 45.100 0.107 0.000 0.836 119 G HN 0.836 nan 8.290 nan 0.000 0.598 120 E N -0.076 120.166 120.200 0.069 0.000 2.171 120 E HA -0.062 4.288 4.350 -0.001 0.000 0.197 120 E C 2.113 178.719 176.600 0.009 0.000 0.997 120 E CA 1.730 58.157 56.400 0.045 0.000 0.810 120 E CB -0.203 29.520 29.700 0.038 0.000 0.738 120 E HN 0.409 nan 8.360 nan 0.000 0.467 121 A N 0.532 123.347 122.820 -0.007 0.000 2.119 121 A HA 0.011 4.330 4.320 -0.001 0.000 0.216 121 A C 0.136 177.506 177.584 -0.357 0.000 1.152 121 A CA 0.629 52.569 52.037 -0.160 0.000 0.708 121 A CB -0.332 18.551 19.000 -0.196 0.000 0.805 121 A HN 0.312 nan 8.150 nan 0.000 0.460 122 H N -1.891 117.113 119.070 -0.110 0.000 2.569 122 H HA 0.546 5.102 4.556 -0.001 0.000 0.357 122 H C 0.871 176.184 175.328 -0.024 0.000 1.153 122 H CA 0.008 55.967 56.048 -0.148 0.000 1.193 122 H CB 1.300 30.890 29.762 -0.287 0.000 1.602 122 H HN 0.247 nan 8.280 nan 0.000 0.523 123 G N -0.559 108.301 108.800 0.101 0.000 2.634 123 G HA2 0.291 4.251 3.960 -0.001 0.000 0.255 123 G HA3 0.291 4.251 3.960 -0.001 0.000 0.255 123 G C 0.816 175.800 174.900 0.141 0.000 1.205 123 G CA 0.028 45.184 45.100 0.093 0.000 0.884 123 G HN 0.880 nan 8.290 nan 0.000 0.549 124 D N -1.084 119.374 120.400 0.097 0.000 2.407 124 D HA 0.177 4.816 4.640 -0.001 0.000 0.234 124 D C 1.673 178.028 176.300 0.092 0.000 1.029 124 D CA 1.189 55.242 54.000 0.088 0.000 0.937 124 D CB -0.190 40.643 40.800 0.055 0.000 0.882 124 D HN 0.676 nan 8.370 nan 0.000 0.531 125 G N -1.163 107.711 108.800 0.123 0.000 3.324 125 G HA2 0.357 4.317 3.960 -0.001 0.000 0.251 125 G HA3 0.357 4.317 3.960 -0.001 0.000 0.251 125 G C -0.009 174.994 174.900 0.171 0.000 1.072 125 G CA -0.315 44.852 45.100 0.112 0.000 0.787 125 G HN 0.361 nan 8.290 nan 0.000 0.537 126 F N 2.142 122.109 119.950 0.028 0.000 2.424 126 F HA 0.565 5.091 4.527 -0.001 0.000 0.356 126 F C 1.097 176.876 175.800 -0.036 0.000 1.110 126 F CA -1.161 56.841 58.000 0.004 0.000 1.161 126 F CB 1.756 40.761 39.000 0.009 0.000 1.115 126 F HN -0.101 nan 8.300 nan 0.000 0.507 127 G N 4.031 112.533 108.800 -0.497 0.000 3.126 127 G HA2 0.287 4.246 3.960 -0.001 0.000 0.224 127 G HA3 0.287 4.246 3.960 -0.001 0.000 0.224 127 G C 0.655 175.117 174.900 -0.730 0.000 1.142 127 G CA 0.267 45.094 45.100 -0.455 0.000 0.759 127 G HN 0.980 nan 8.290 nan 0.000 0.550 128 G N -0.227 107.600 108.800 -1.622 0.000 2.509 128 G HA2 0.481 4.441 3.960 -0.001 0.000 0.269 128 G HA3 0.481 4.441 3.960 -0.001 0.000 0.269 128 G C -0.993 173.433 174.900 -0.791 0.000 1.416 128 G CA -0.526 43.794 45.100 -1.300 0.000 1.052 128 G HN 0.221 nan 8.290 nan 0.000 0.542 129 L N 0.005 121.075 121.223 -0.255 0.000 2.341 129 L HA 0.680 5.019 4.340 -0.001 0.000 0.278 129 L C 0.785 177.737 176.870 0.135 0.000 1.005 129 L CA -0.271 54.554 54.840 -0.025 0.000 0.818 129 L CB 1.396 43.430 42.059 -0.041 0.000 1.259 129 L HN 0.669 nan 8.230 nan 0.000 0.418 130 G N 1.196 110.065 108.800 0.115 0.000 2.572 130 G HA2 0.317 4.276 3.960 -0.001 0.000 0.261 130 G HA3 0.317 4.276 3.960 -0.001 0.000 0.261 130 G C 0.775 175.716 174.900 0.068 0.000 1.197 130 G CA 0.218 45.377 45.100 0.100 0.000 0.870 130 G HN 0.848 nan 8.290 nan 0.000 0.548 131 S N -0.507 115.232 115.700 0.066 0.000 2.428 131 S HA -0.115 4.355 4.470 -0.001 0.000 0.230 131 S C 2.037 176.638 174.600 0.001 0.000 1.014 131 S CA 1.720 59.933 58.200 0.022 0.000 0.957 131 S CB -0.311 62.901 63.200 0.020 0.000 0.784 131 S HN 0.469 nan 8.310 nan 0.000 0.499 132 T N 2.525 117.102 114.554 0.038 0.000 2.812 132 T HA 0.185 4.534 4.350 -0.001 0.000 0.264 132 T C 2.252 176.969 174.700 0.029 0.000 1.042 132 T CA 1.218 63.351 62.100 0.056 0.000 1.140 132 T CB -0.737 68.167 68.868 0.061 0.000 0.870 132 T HN 0.609 nan 8.240 nan 0.000 0.445 133 A N 1.584 124.419 122.820 0.024 0.000 1.902 133 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 133 A C 2.055 179.636 177.584 -0.005 0.000 1.181 133 A CA 2.201 54.246 52.037 0.013 0.000 0.623 133 A CB -0.879 18.130 19.000 0.015 0.000 0.818 133 A HN 0.548 nan 8.150 nan 0.000 0.443 134 D N -0.926 119.465 120.400 -0.015 0.000 2.084 134 D HA -0.171 4.469 4.640 -0.001 0.000 0.194 134 D C 2.152 178.415 176.300 -0.062 0.000 0.990 134 D CA 1.299 55.279 54.000 -0.034 0.000 0.826 134 D CB -0.023 40.757 40.800 -0.033 0.000 0.971 134 D HN 0.175 nan 8.370 nan 0.000 0.453 135 R N 0.086 120.521 120.500 -0.108 0.000 2.120 135 R HA -0.034 4.305 4.340 -0.001 0.000 0.234 135 R C 2.392 178.644 176.300 -0.079 0.000 1.123 135 R CA 0.462 56.453 56.100 -0.182 0.000 0.975 135 R CB -0.928 29.070 30.300 -0.504 0.000 0.866 135 R HN 0.266 nan 8.270 nan 0.000 0.446 136 V N 2.014 121.917 119.914 -0.018 0.000 2.323 136 V HA -0.214 3.905 4.120 -0.001 0.000 0.244 136 V C 2.356 178.451 176.094 0.003 0.000 1.041 136 V CA 1.665 63.977 62.300 0.019 0.000 1.025 136 V CB -0.625 31.219 31.823 0.035 0.000 0.656 136 V HN 0.236 nan 8.190 nan 0.000 0.451 137 L N -0.351 120.867 121.223 -0.007 0.000 2.201 137 L HA -0.050 4.289 4.340 -0.001 0.000 0.212 137 L C 2.253 179.113 176.870 -0.017 0.000 1.105 137 L CA 1.748 56.583 54.840 -0.010 0.000 0.775 137 L CB -0.930 41.122 42.059 -0.012 0.000 0.913 137 L HN 0.068 nan 8.230 nan 0.000 0.440 138 R N 0.154 120.638 120.500 -0.026 0.000 2.193 138 R HA 0.228 4.568 4.340 -0.001 0.000 0.213 138 R C 1.771 178.057 176.300 -0.023 0.000 1.055 138 R CA 0.791 56.873 56.100 -0.029 0.000 0.995 138 R CB -0.127 30.148 30.300 -0.041 0.000 0.893 138 R HN 0.578 nan 8.270 nan 0.000 0.459 139 A N -0.147 122.665 122.820 -0.014 0.000 2.456 139 A HA 0.139 4.458 4.320 -0.001 0.000 0.237 139 A C 0.527 178.114 177.584 0.005 0.000 1.217 139 A CA -0.290 51.745 52.037 -0.003 0.000 0.962 139 A CB 0.593 19.597 19.000 0.006 0.000 1.079 139 A HN 0.108 nan 8.150 nan 0.000 0.536 140 S N 1.576 117.279 115.700 0.005 0.000 2.549 140 S HA 0.253 4.723 4.470 -0.001 0.000 0.286 140 S C -0.911 173.691 174.600 0.004 0.000 1.314 140 S CA -0.626 57.580 58.200 0.009 0.000 1.062 140 S CB 0.812 64.018 63.200 0.010 0.000 0.865 140 S HN 0.334 nan 8.310 nan 0.000 0.498 141 P HA 0.085 nan 4.420 nan 0.000 0.235 141 P C 0.191 177.493 177.300 0.004 0.000 1.177 141 P CA 0.381 63.483 63.100 0.003 0.000 0.785 141 P CB -0.131 31.573 31.700 0.007 0.000 0.885 142 V N -4.820 115.099 119.914 0.008 0.000 2.960 142 V HA 0.672 4.791 4.120 -0.001 0.000 0.315 142 V C -3.084 173.017 176.094 0.011 0.000 1.087 142 V CA -3.430 58.877 62.300 0.011 0.000 0.982 142 V CB 1.088 32.921 31.823 0.017 0.000 1.039 142 V HN -0.322 nan 8.190 nan 0.000 0.437 143 P HA 0.193 nan 4.420 nan 0.000 0.264 143 P C -0.783 176.527 177.300 0.018 0.000 1.183 143 P CA 0.288 63.397 63.100 0.014 0.000 0.763 143 P CB 0.540 32.252 31.700 0.020 0.000 0.807 144 V N 5.125 125.048 119.914 0.015 0.000 2.448 144 V HA 0.327 4.447 4.120 -0.001 0.000 0.295 144 V C 0.046 176.152 176.094 0.019 0.000 1.025 144 V CA -0.591 61.719 62.300 0.017 0.000 0.859 144 V CB 1.640 33.470 31.823 0.011 0.000 0.988 144 V HN 0.423 nan 8.190 nan 0.000 0.431 145 L N 6.140 127.380 121.223 0.027 0.000 2.280 145 L HA 0.573 4.912 4.340 -0.001 0.000 0.287 145 L C -0.886 175.998 176.870 0.024 0.000 1.023 145 L CA -0.458 54.400 54.840 0.030 0.000 0.819 145 L CB 0.991 43.078 42.059 0.046 0.000 1.212 145 L HN 0.550 nan 8.230 nan 0.000 0.420 146 L N 5.625 126.856 121.223 0.013 0.000 2.265 146 L HA 0.571 4.910 4.340 -0.001 0.000 0.289 146 L C 0.143 177.014 176.870 0.001 0.000 1.033 146 L CA -0.334 54.510 54.840 0.005 0.000 0.814 146 L CB 1.405 43.459 42.059 -0.007 0.000 1.203 146 L HN 0.650 nan 8.230 nan 0.000 0.423 147 A N 5.928 128.751 122.820 0.005 0.000 2.317 147 A HA 0.806 5.126 4.320 -0.001 0.000 0.327 147 A C -2.481 175.096 177.584 -0.011 0.000 1.178 147 A CA -1.655 50.380 52.037 -0.003 0.000 0.817 147 A CB 0.815 19.819 19.000 0.006 0.000 1.189 147 A HN 0.376 nan 8.150 nan 0.000 0.489 148 P HA 0.154 nan 4.420 nan 0.000 0.271 148 P C 1.293 178.585 177.300 -0.014 0.000 1.233 148 P CA 0.395 63.479 63.100 -0.028 0.000 0.789 148 P CB 0.664 32.341 31.700 -0.038 0.000 0.951 149 G N 0.212 109.010 108.800 -0.004 0.000 2.446 149 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 149 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 149 G C 0.417 175.316 174.900 -0.002 0.000 1.168 149 G CA 0.605 45.711 45.100 0.010 0.000 0.771 149 G HN 0.515 nan 8.290 nan 0.000 0.551 150 E N 1.806 121.999 120.200 -0.013 0.000 2.265 150 E HA 0.320 4.670 4.350 -0.001 0.000 0.272 150 E C -2.252 174.323 176.600 -0.042 0.000 1.067 150 E CA -2.157 54.229 56.400 -0.023 0.000 0.900 150 E CB 0.721 30.406 29.700 -0.025 0.000 1.017 150 E HN 0.063 nan 8.360 nan 0.000 0.431 151 P HA -0.021 nan 4.420 nan 0.000 0.264 151 P C -1.307 175.923 177.300 -0.117 0.000 1.183 151 P CA 0.054 63.107 63.100 -0.079 0.000 0.763 151 P CB 0.746 32.404 31.700 -0.072 0.000 0.807 152 V N 2.875 122.688 119.914 -0.167 0.000 2.891 152 V HA 0.227 4.347 4.120 -0.001 0.000 0.304 152 V C -0.820 175.059 176.094 -0.357 0.000 1.171 152 V CA -0.701 61.474 62.300 -0.207 0.000 0.943 152 V CB 2.163 33.904 31.823 -0.136 0.000 1.037 152 V HN 0.443 nan 8.190 nan 0.000 0.427 153 E N 5.068 124.991 120.200 -0.462 0.000 2.343 153 E HA 0.430 4.779 4.350 -0.001 0.000 0.269 153 E C -0.840 175.492 176.600 -0.447 0.000 1.047 153 E CA -0.580 55.328 56.400 -0.820 0.000 0.874 153 E CB 1.471 30.721 29.700 -0.750 0.000 1.033 153 E HN 0.579 nan 8.360 nan 0.000 0.409 154 L N 2.285 123.273 121.223 -0.392 0.000 2.369 154 L HA 0.137 4.476 4.340 -0.001 0.000 0.279 154 L C 1.278 178.199 176.870 0.086 0.000 1.108 154 L CA 0.181 55.014 54.840 -0.011 0.000 0.852 154 L CB 0.344 42.516 42.059 0.188 0.000 1.169 154 L HN 0.808 nan 8.230 nan 0.000 0.452 155 E N 2.839 123.062 120.200 0.039 0.000 2.526 155 E HA 0.475 4.824 4.350 -0.001 0.000 0.208 155 E C 0.594 177.228 176.600 0.057 0.000 0.997 155 E CA 0.474 56.908 56.400 0.058 0.000 0.961 155 E CB 1.242 30.955 29.700 0.022 0.000 1.030 155 E HN 0.857 nan 8.360 nan 0.000 0.483 156 G N -1.624 107.209 108.800 0.054 0.000 2.608 156 G HA2 0.731 4.691 3.960 -0.001 0.000 0.291 156 G HA3 0.731 4.691 3.960 -0.001 0.000 0.291 156 G C -1.456 173.473 174.900 0.050 0.000 1.425 156 G CA 0.149 45.278 45.100 0.048 0.000 0.787 156 G HN 1.100 nan 8.290 nan 0.000 0.484 157 A N -0.339 122.508 122.820 0.044 0.000 2.547 157 A HA 0.840 5.160 4.320 -0.001 0.000 0.297 157 A C -0.912 176.695 177.584 0.038 0.000 1.056 157 A CA -0.426 51.637 52.037 0.043 0.000 0.688 157 A CB 1.234 20.263 19.000 0.050 0.000 1.282 157 A HN 1.984 nan 8.150 nan 0.000 0.400 158 L N -0.019 121.226 121.223 0.037 0.000 2.393 158 L HA 1.020 5.359 4.340 -0.001 0.000 0.260 158 L C -1.384 175.510 176.870 0.041 0.000 1.002 158 L CA -1.128 53.735 54.840 0.038 0.000 0.818 158 L CB 2.042 44.124 42.059 0.038 0.000 1.369 158 L HN 0.727 nan 8.230 nan 0.000 0.412 159 L N 1.375 122.627 121.223 0.048 0.000 2.409 159 L HA 0.822 5.161 4.340 -0.001 0.000 0.272 159 L C -0.089 176.833 176.870 0.086 0.000 0.980 159 L CA 0.093 54.969 54.840 0.059 0.000 0.826 159 L CB 1.947 44.033 42.059 0.046 0.000 1.268 159 L HN 0.799 nan 8.230 nan 0.000 0.407 160 G N 3.500 112.347 108.800 0.078 0.000 2.356 160 G HA2 0.344 4.303 3.960 -0.001 0.000 0.300 160 G HA3 0.344 4.303 3.960 -0.001 0.000 0.300 160 G C -1.665 173.294 174.900 0.098 0.000 1.107 160 G CA -0.054 45.092 45.100 0.077 0.000 0.960 160 G HN 0.589 nan 8.290 nan 0.000 0.418 161 Y N 3.103 123.380 120.300 -0.039 0.000 2.326 161 Y HA 0.344 4.893 4.550 -0.001 0.000 0.331 161 Y C -0.089 175.674 175.900 -0.229 0.000 0.962 161 Y CA -1.479 56.553 58.100 -0.114 0.000 1.167 161 Y CB 2.004 40.431 38.460 -0.055 0.000 1.148 161 Y HN 0.583 nan 8.280 nan 0.000 0.463 162 D N 3.664 123.470 120.400 -0.991 0.000 2.535 162 D HA 0.228 4.868 4.640 -0.001 0.000 0.229 162 D C 1.006 176.058 176.300 -2.080 0.000 1.238 162 D CA 0.333 53.328 54.000 -1.675 0.000 0.824 162 D CB 0.072 40.215 40.800 -1.095 0.000 1.045 162 D HN 0.735 nan 8.370 nan 0.000 0.500 163 A N 0.264 121.884 122.820 -1.999 0.000 2.945 163 A HA -0.216 4.104 4.320 -0.001 0.000 0.263 163 A C 0.927 178.083 177.584 -0.714 0.000 1.293 163 A CA 1.060 52.314 52.037 -1.303 0.000 0.944 163 A CB -2.635 15.881 19.000 -0.807 0.000 1.093 163 A HN 0.874 nan 8.150 nan 0.000 0.786 164 S N -1.042 114.251 115.700 -0.679 0.000 2.624 164 S HA 0.470 4.939 4.470 -0.001 0.000 0.263 164 S C 0.931 175.360 174.600 -0.285 0.000 1.287 164 S CA 0.375 58.345 58.200 -0.383 0.000 0.990 164 S CB 1.251 64.255 63.200 -0.326 0.000 0.950 164 S HN 0.589 nan 8.310 nan 0.000 0.561 165 E N 0.974 121.059 120.200 -0.191 0.000 2.070 165 E HA -0.179 4.171 4.350 -0.001 0.000 0.197 165 E C 1.824 178.328 176.600 -0.160 0.000 1.004 165 E CA 1.695 58.002 56.400 -0.155 0.000 0.805 165 E CB -0.361 29.272 29.700 -0.112 0.000 0.744 165 E HN 0.743 nan 8.360 nan 0.000 0.451 166 S N 0.114 115.726 115.700 -0.146 0.000 2.402 166 S HA -0.073 4.396 4.470 -0.001 0.000 0.229 166 S C 1.935 176.459 174.600 -0.126 0.000 1.021 166 S CA 0.767 58.893 58.200 -0.123 0.000 0.974 166 S CB -0.061 63.079 63.200 -0.099 0.000 0.800 166 S HN 0.466 nan 8.310 nan 0.000 0.484 167 A N 1.087 123.803 122.820 -0.173 0.000 1.969 167 A HA -0.004 4.315 4.320 -0.001 0.000 0.218 167 A C 2.268 179.852 177.584 0.000 0.000 1.169 167 A CA 1.157 53.113 52.037 -0.135 0.000 0.635 167 A CB -0.705 18.062 19.000 -0.388 0.000 0.810 167 A HN 0.345 nan 8.150 nan 0.000 0.445 168 V N 0.004 119.864 119.914 -0.090 0.000 2.358 168 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 168 V C 2.615 178.512 176.094 -0.329 0.000 1.047 168 V CA 2.197 64.417 62.300 -0.133 0.000 1.035 168 V CB -0.786 30.892 31.823 -0.241 0.000 0.658 168 V HN 0.537 nan 8.190 nan 0.000 0.452 169 R N 0.221 120.571 120.500 -0.250 0.000 2.096 169 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 169 R C 2.431 178.676 176.300 -0.093 0.000 1.127 169 R CA 1.431 57.411 56.100 -0.200 0.000 0.968 169 R CB -0.588 29.636 30.300 -0.127 0.000 0.861 169 R HN 0.532 nan 8.270 nan 0.000 0.440 170 A N 1.371 124.156 122.820 -0.058 0.000 1.902 170 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 170 A C 2.102 179.687 177.584 0.002 0.000 1.181 170 A CA 1.083 53.113 52.037 -0.012 0.000 0.623 170 A CB -0.466 18.535 19.000 0.001 0.000 0.818 170 A HN 0.258 nan 8.150 nan 0.000 0.443 171 L N -0.344 120.875 121.223 -0.007 0.000 2.012 171 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 171 L C 2.266 179.112 176.870 -0.041 0.000 1.073 171 L CA 2.464 57.269 54.840 -0.057 0.000 0.748 171 L CB -0.959 40.997 42.059 -0.171 0.000 0.891 171 L HN 0.578 nan 8.230 nan 0.000 0.431 172 H N -1.063 117.832 119.070 -0.292 0.000 2.423 172 H HA 0.001 4.556 4.556 -0.001 0.000 0.297 172 H C 2.065 177.371 175.328 -0.037 0.000 1.075 172 H CA 0.646 56.577 56.048 -0.195 0.000 1.342 172 H CB 0.128 29.783 29.762 -0.179 0.000 1.395 172 H HN 0.570 nan 8.280 nan 0.000 0.530 173 A N 1.181 124.053 122.820 0.088 0.000 1.929 173 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 173 A C 2.286 179.902 177.584 0.054 0.000 1.176 173 A CA 0.763 52.837 52.037 0.061 0.000 0.628 173 A CB -0.427 18.595 19.000 0.035 0.000 0.816 173 A HN 0.267 nan 8.150 nan 0.000 0.444 174 L N -0.207 121.045 121.223 0.047 0.000 2.093 174 L HA 0.038 4.377 4.340 -0.001 0.000 0.208 174 L C 2.618 179.519 176.870 0.052 0.000 1.085 174 L CA 1.891 56.759 54.840 0.046 0.000 0.755 174 L CB -0.860 41.221 42.059 0.037 0.000 0.904 174 L HN 0.344 nan 8.230 nan 0.000 0.435 175 A N 0.466 123.324 122.820 0.063 0.000 1.869 175 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 175 A C 0.177 177.791 177.584 0.050 0.000 1.203 175 A CA 2.441 54.516 52.037 0.063 0.000 0.638 175 A CB -2.228 16.812 19.000 0.067 0.000 0.831 175 A HN 0.458 nan 8.150 nan 0.000 0.450 176 P HA -0.110 nan 4.420 nan 0.000 0.216 176 P C 1.476 178.792 177.300 0.027 0.000 1.150 176 P CA 0.860 63.984 63.100 0.040 0.000 0.837 176 P CB -0.120 31.605 31.700 0.043 0.000 0.786 177 L N -1.052 120.191 121.223 0.035 0.000 2.027 177 L HA -0.129 4.211 4.340 -0.001 0.000 0.206 177 L C 2.497 179.388 176.870 0.034 0.000 1.074 177 L CA 1.629 56.489 54.840 0.034 0.000 0.745 177 L CB -1.249 40.840 42.059 0.051 0.000 0.898 177 L HN -0.053 nan 8.230 nan 0.000 0.433 178 A N 0.161 123.006 122.820 0.041 0.000 1.933 178 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 178 A C 2.314 179.914 177.584 0.027 0.000 1.175 178 A CA 1.843 53.904 52.037 0.041 0.000 0.628 178 A CB -0.467 18.558 19.000 0.042 0.000 0.814 178 A HN 0.310 nan 8.150 nan 0.000 0.444 179 R N 0.345 120.857 120.500 0.020 0.000 2.070 179 R HA -0.009 4.330 4.340 -0.001 0.000 0.233 179 R C 2.124 178.419 176.300 -0.008 0.000 1.137 179 R CA 2.114 58.219 56.100 0.008 0.000 0.945 179 R CB -0.980 29.326 30.300 0.010 0.000 0.845 179 R HN 0.343 nan 8.270 nan 0.000 0.430 180 A N 0.232 123.043 122.820 -0.017 0.000 1.972 180 A HA -0.028 4.291 4.320 -0.001 0.000 0.219 180 A C 2.090 179.638 177.584 -0.060 0.000 1.169 180 A CA 1.436 53.446 52.037 -0.045 0.000 0.635 180 A CB -0.419 18.547 19.000 -0.056 0.000 0.810 180 A HN 0.382 nan 8.150 nan 0.000 0.446 181 L N -1.536 119.667 121.223 -0.033 0.000 2.567 181 L HA 0.230 4.569 4.340 -0.001 0.000 0.225 181 L C 1.498 178.376 176.870 0.014 0.000 1.119 181 L CA 0.414 55.241 54.840 -0.022 0.000 0.871 181 L CB -0.208 41.870 42.059 0.032 0.000 1.036 181 L HN 0.532 nan 8.230 nan 0.000 0.459 182 G N 1.536 110.342 108.800 0.011 0.000 2.246 182 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.273 182 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.273 182 G C -0.117 174.805 174.900 0.035 0.000 1.055 182 G CA -0.019 45.091 45.100 0.018 0.000 0.851 182 G HN 0.233 nan 8.290 nan 0.000 0.500 183 L N 0.165 121.413 121.223 0.043 0.000 2.317 183 L HA 0.711 5.050 4.340 -0.001 0.000 0.281 183 L C 1.204 178.098 176.870 0.039 0.000 1.024 183 L CA -0.592 54.278 54.840 0.051 0.000 0.810 183 L CB 1.737 43.837 42.059 0.070 0.000 1.240 183 L HN 0.226 nan 8.230 nan 0.000 0.427 184 G N 1.830 110.651 108.800 0.036 0.000 2.507 184 G HA2 0.497 4.457 3.960 -0.001 0.000 0.271 184 G HA3 0.497 4.457 3.960 -0.001 0.000 0.271 184 G C -0.709 174.210 174.900 0.032 0.000 1.189 184 G CA -0.309 44.808 45.100 0.029 0.000 0.859 184 G HN 0.307 nan 8.290 nan 0.000 0.542 185 V N 1.450 121.381 119.914 0.029 0.000 2.495 185 V HA 0.407 4.527 4.120 -0.001 0.000 0.298 185 V C 0.154 176.264 176.094 0.027 0.000 1.031 185 V CA -0.800 61.517 62.300 0.029 0.000 0.871 185 V CB 1.690 33.529 31.823 0.027 0.000 0.988 185 V HN 0.731 nan 8.190 nan 0.000 0.432 186 R N 3.071 123.589 120.500 0.030 0.000 2.196 186 R HA 0.525 4.864 4.340 -0.001 0.000 0.340 186 R C -0.840 175.483 176.300 0.038 0.000 1.043 186 R CA -0.364 55.755 56.100 0.031 0.000 0.883 186 R CB 1.457 31.776 30.300 0.031 0.000 1.078 186 R HN 0.555 nan 8.270 nan 0.000 0.462 187 V N 4.942 124.879 119.914 0.039 0.000 2.461 187 V HA 0.166 4.286 4.120 -0.001 0.000 0.275 187 V C 0.049 176.191 176.094 0.079 0.000 1.047 187 V CA -0.437 61.897 62.300 0.056 0.000 0.955 187 V CB 1.542 33.391 31.823 0.043 0.000 0.988 187 V HN 0.423 nan 8.190 nan 0.000 0.471 188 V N 4.637 124.610 119.914 0.099 0.000 2.378 188 V HA 0.462 4.581 4.120 -0.001 0.000 0.288 188 V C 0.035 176.221 176.094 0.154 0.000 1.016 188 V CA -0.182 62.177 62.300 0.098 0.000 0.840 188 V CB 1.656 33.524 31.823 0.076 0.000 0.994 188 V HN 0.884 nan 8.190 nan 0.000 0.431 189 S N 3.935 119.745 115.700 0.183 0.000 2.552 189 S HA 0.699 5.168 4.470 -0.001 0.000 0.314 189 S C -0.457 174.300 174.600 0.261 0.000 1.099 189 S CA -0.566 57.817 58.200 0.305 0.000 1.070 189 S CB 1.850 65.308 63.200 0.430 0.000 0.998 189 S HN 0.437 nan 8.310 nan 0.000 0.474 190 V N 4.883 124.986 119.914 0.316 0.000 2.495 190 V HA 0.646 4.766 4.120 -0.001 0.000 0.298 190 V C -0.385 175.911 176.094 0.338 0.000 1.031 190 V CA -0.462 61.983 62.300 0.241 0.000 0.871 190 V CB 1.494 33.430 31.823 0.188 0.000 0.988 190 V HN 0.924 nan 8.190 nan 0.000 0.432 191 H N 2.880 122.001 119.070 0.086 0.000 3.081 191 H HA 0.342 4.897 4.556 -0.001 0.000 0.322 191 H C 0.687 175.997 175.328 -0.030 0.000 1.266 191 H CA 0.395 56.454 56.048 0.018 0.000 1.279 191 H CB 2.249 31.906 29.762 -0.175 0.000 1.954 191 H HN 0.587 nan 8.280 nan 0.000 0.530 192 E N 2.124 122.348 120.200 0.039 0.000 2.160 192 E HA -0.130 4.220 4.350 -0.001 0.000 0.195 192 E C 0.502 177.205 176.600 0.172 0.000 0.991 192 E CA 1.550 58.006 56.400 0.093 0.000 0.810 192 E CB -0.006 29.698 29.700 0.006 0.000 0.742 192 E HN 0.486 nan 8.360 nan 0.000 0.466 193 D N -0.005 120.607 120.400 0.353 0.000 2.365 193 D HA 0.088 4.728 4.640 -0.001 0.000 0.237 193 D C -1.511 174.720 176.300 -0.115 0.000 1.190 193 D CA -2.144 51.854 54.000 -0.003 0.000 0.867 193 D CB 1.677 42.348 40.800 -0.214 0.000 1.050 193 D HN 0.042 nan 8.370 nan 0.000 0.491 194 P HA -0.186 nan 4.420 nan 0.000 0.216 194 P C 1.110 178.326 177.300 -0.140 0.000 1.150 194 P CA 0.935 63.985 63.100 -0.084 0.000 0.837 194 P CB 0.313 31.984 31.700 -0.049 0.000 0.786 195 A N 0.559 123.284 122.820 -0.158 0.000 1.902 195 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 195 A C 2.697 180.115 177.584 -0.278 0.000 1.181 195 A CA 2.769 54.704 52.037 -0.170 0.000 0.623 195 A CB -1.638 17.276 19.000 -0.142 0.000 0.818 195 A HN 0.248 nan 8.150 nan 0.000 0.443 196 R N -0.661 119.571 120.500 -0.446 0.000 2.081 196 R HA 0.162 4.502 4.340 -0.001 0.000 0.235 196 R C 2.540 178.243 176.300 -0.994 0.000 1.131 196 R CA 2.170 57.804 56.100 -0.777 0.000 0.960 196 R CB -1.683 27.962 30.300 -1.092 0.000 0.856 196 R HN 0.918 nan 8.270 nan 0.000 0.436 197 A N 0.604 123.020 122.820 -0.674 0.000 1.930 197 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 197 A C 2.189 179.729 177.584 -0.073 0.000 1.175 197 A CA 1.660 53.501 52.037 -0.327 0.000 0.627 197 A CB -0.369 18.583 19.000 -0.079 0.000 0.815 197 A HN 0.715 nan 8.150 nan 0.000 0.443 198 E N -0.190 119.948 120.200 -0.103 0.000 2.072 198 E HA -0.094 4.255 4.350 -0.001 0.000 0.191 198 E C 2.146 178.760 176.600 0.022 0.000 0.985 198 E CA 0.889 57.279 56.400 -0.017 0.000 0.801 198 E CB -0.226 29.451 29.700 -0.037 0.000 0.750 198 E HN 0.545 nan 8.360 nan 0.000 0.452 199 A N 0.823 123.616 122.820 -0.046 0.000 1.902 199 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 199 A C 1.783 179.500 177.584 0.222 0.000 1.181 199 A CA 1.294 53.349 52.037 0.031 0.000 0.623 199 A CB -0.935 18.034 19.000 -0.053 0.000 0.818 199 A HN 0.445 nan 8.150 nan 0.000 0.443 200 W N -0.372 120.984 121.300 0.093 0.000 2.354 200 W HA -0.080 4.580 4.660 -0.001 0.000 0.315 200 W C 2.913 179.594 176.519 0.270 0.000 1.206 200 W CA 0.869 58.338 57.345 0.207 0.000 1.290 200 W CB -1.412 28.133 29.460 0.141 0.000 1.152 200 W HN 0.432 nan 8.180 nan 0.000 0.489 201 A N 0.294 123.364 122.820 0.417 0.000 1.883 201 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 201 A C 2.200 179.865 177.584 0.136 0.000 1.186 201 A CA 2.054 54.235 52.037 0.240 0.000 0.624 201 A CB -1.163 17.935 19.000 0.164 0.000 0.822 201 A HN 0.261 nan 8.150 nan 0.000 0.444 202 L N -0.921 120.378 121.223 0.127 0.000 2.083 202 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 202 L C 2.653 179.572 176.870 0.082 0.000 1.083 202 L CA 1.823 56.713 54.840 0.083 0.000 0.752 202 L CB -0.561 41.541 42.059 0.071 0.000 0.899 202 L HN 0.639 nan 8.230 nan 0.000 0.433 203 E N 0.564 120.841 120.200 0.129 0.000 2.051 203 E HA -0.257 4.093 4.350 -0.001 0.000 0.192 203 E C 2.230 178.825 176.600 -0.008 0.000 0.991 203 E CA 1.364 57.835 56.400 0.119 0.000 0.799 203 E CB -0.015 29.833 29.700 0.247 0.000 0.748 203 E HN 0.443 nan 8.360 nan 0.000 0.449 204 A N 0.948 123.649 122.820 -0.198 0.000 1.898 204 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 204 A C 1.954 179.475 177.584 -0.105 0.000 1.181 204 A CA 1.603 53.395 52.037 -0.408 0.000 0.620 204 A CB -0.524 18.044 19.000 -0.719 0.000 0.819 204 A HN 0.347 nan 8.150 nan 0.000 0.442 205 E N -0.211 119.967 120.200 -0.038 0.000 2.077 205 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 205 E C 2.311 178.929 176.600 0.030 0.000 0.989 205 E CA 0.978 57.382 56.400 0.007 0.000 0.800 205 E CB -0.290 29.421 29.700 0.019 0.000 0.746 205 E HN 0.624 nan 8.360 nan 0.000 0.452 206 A N 0.756 123.602 122.820 0.044 0.000 1.902 206 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 206 A C 2.023 179.651 177.584 0.074 0.000 1.181 206 A CA 1.386 53.455 52.037 0.053 0.000 0.623 206 A CB -0.780 18.258 19.000 0.064 0.000 0.818 206 A HN 0.403 nan 8.150 nan 0.000 0.443 207 Y N 0.480 120.767 120.300 -0.021 0.000 2.114 207 Y HA -0.190 4.360 4.550 -0.001 0.000 0.284 207 Y C 2.026 177.943 175.900 0.029 0.000 1.143 207 Y CA 2.006 60.099 58.100 -0.013 0.000 1.135 207 Y CB -0.336 38.041 38.460 -0.139 0.000 0.980 207 Y HN 0.220 nan 8.280 nan 0.000 0.499 208 L N -0.069 121.228 121.223 0.124 0.000 2.012 208 L HA -0.284 4.055 4.340 -0.001 0.000 0.210 208 L C 2.579 179.456 176.870 0.012 0.000 1.073 208 L CA 1.895 56.768 54.840 0.056 0.000 0.748 208 L CB -0.543 41.549 42.059 0.055 0.000 0.891 208 L HN 0.156 nan 8.230 nan 0.000 0.431 209 R N -0.401 120.103 120.500 0.006 0.000 2.115 209 R HA -0.179 4.161 4.340 -0.001 0.000 0.230 209 R C 1.849 178.120 176.300 -0.049 0.000 1.111 209 R CA 1.446 57.538 56.100 -0.014 0.000 0.976 209 R CB -0.375 29.920 30.300 -0.008 0.000 0.870 209 R HN 0.286 nan 8.270 nan 0.000 0.445 210 D N -0.418 119.943 120.400 -0.065 0.000 2.310 210 D HA -0.106 4.533 4.640 -0.001 0.000 0.212 210 D C 0.443 176.540 176.300 -0.338 0.000 0.965 210 D CA 0.994 54.892 54.000 -0.169 0.000 0.879 210 D CB 0.191 40.888 40.800 -0.172 0.000 0.921 210 D HN 0.288 nan 8.370 nan 0.000 0.510 211 H N -1.691 117.205 119.070 -0.290 0.000 2.486 211 H HA 0.443 4.999 4.556 -0.001 0.000 0.284 211 H C 1.174 176.417 175.328 -0.142 0.000 1.103 211 H CA 0.306 56.200 56.048 -0.256 0.000 1.089 211 H CB 0.714 30.258 29.762 -0.364 0.000 1.603 211 H HN 0.089 nan 8.280 nan 0.000 0.557 212 G N 0.497 109.269 108.800 -0.046 0.000 2.160 212 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.251 212 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.251 212 G C -0.269 174.626 174.900 -0.007 0.000 1.008 212 G CA 0.444 45.525 45.100 -0.031 0.000 0.724 212 G HN 0.280 nan 8.290 nan 0.000 0.514 213 V N 0.938 120.854 119.914 0.004 0.000 2.448 213 V HA 0.511 4.630 4.120 -0.001 0.000 0.295 213 V C 0.550 176.651 176.094 0.011 0.000 1.025 213 V CA -0.527 61.781 62.300 0.013 0.000 0.859 213 V CB 1.771 33.610 31.823 0.027 0.000 0.988 213 V HN 0.602 nan 8.190 nan 0.000 0.431 214 E N 4.587 124.793 120.200 0.011 0.000 2.373 214 E HA 0.657 5.007 4.350 -0.001 0.000 0.267 214 E C -0.365 176.244 176.600 0.016 0.000 1.032 214 E CA -0.360 56.047 56.400 0.011 0.000 0.889 214 E CB 1.529 31.235 29.700 0.011 0.000 0.984 214 E HN 0.792 nan 8.360 nan 0.000 0.425 215 A N 2.439 125.268 122.820 0.015 0.000 2.587 215 A HA 0.630 4.949 4.320 -0.001 0.000 0.293 215 A C -0.864 176.730 177.584 0.017 0.000 1.087 215 A CA -0.348 51.699 52.037 0.017 0.000 0.692 215 A CB 1.930 20.940 19.000 0.016 0.000 1.291 215 A HN 0.846 nan 8.150 nan 0.000 0.407 216 S N -0.400 115.312 115.700 0.020 0.000 2.697 216 S HA 0.960 5.430 4.470 -0.001 0.000 0.289 216 S C -0.440 174.176 174.600 0.026 0.000 1.149 216 S CA -0.145 58.067 58.200 0.021 0.000 0.850 216 S CB 1.694 64.906 63.200 0.019 0.000 1.151 216 S HN 2.435 nan 8.310 nan 0.000 0.491 217 A N 0.391 123.227 122.820 0.027 0.000 2.498 217 A HA 0.805 5.125 4.320 -0.001 0.000 0.298 217 A C -1.518 176.083 177.584 0.029 0.000 1.075 217 A CA -0.813 51.246 52.037 0.037 0.000 0.714 217 A CB 1.195 20.223 19.000 0.046 0.000 1.299 217 A HN 0.855 nan 8.150 nan 0.000 0.407 218 L N 2.226 123.469 121.223 0.032 0.000 2.377 218 L HA 0.421 4.760 4.340 -0.001 0.000 0.270 218 L C -1.067 175.810 176.870 0.011 0.000 0.991 218 L CA -0.767 54.079 54.840 0.009 0.000 0.851 218 L CB 1.790 43.848 42.059 -0.002 0.000 1.218 218 L HN 0.458 nan 8.230 nan 0.000 0.420 219 V N 5.332 125.247 119.914 0.003 0.000 2.348 219 V HA 0.466 4.585 4.120 -0.001 0.000 0.270 219 V C 0.206 176.278 176.094 -0.037 0.000 1.037 219 V CA -0.161 62.143 62.300 0.007 0.000 0.872 219 V CB 1.265 33.092 31.823 0.008 0.000 1.002 219 V HN 0.530 nan 8.190 nan 0.000 0.464 220 L N 3.729 124.918 121.223 -0.056 0.000 2.257 220 L HA 0.964 5.304 4.340 -0.001 0.000 0.257 220 L C 0.658 177.504 176.870 -0.040 0.000 1.033 220 L CA -0.613 54.148 54.840 -0.133 0.000 0.835 220 L CB 2.076 43.876 42.059 -0.433 0.000 1.398 220 L HN 0.663 nan 8.230 nan 0.000 0.429 221 G N -1.781 107.012 108.800 -0.012 0.000 3.175 221 G HA2 0.706 4.666 3.960 -0.001 0.000 0.255 221 G HA3 0.706 4.666 3.960 -0.001 0.000 0.255 221 G C -0.203 174.803 174.900 0.176 0.000 1.352 221 G CA -0.340 44.800 45.100 0.067 0.000 1.037 221 G HN 1.057 nan 8.290 nan 0.000 0.556 222 G N -0.422 108.457 108.800 0.132 0.000 2.512 222 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.240 222 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.240 222 G C -0.450 174.510 174.900 0.099 0.000 1.246 222 G CA 0.422 45.601 45.100 0.132 0.000 0.919 222 G HN 1.003 nan 8.290 nan 0.000 0.577 223 D N 0.894 121.301 120.400 0.013 0.000 2.313 223 D HA 0.673 5.313 4.640 -0.001 0.000 0.239 223 D C 1.299 177.628 176.300 0.049 0.000 1.142 223 D CA 1.029 55.018 54.000 -0.018 0.000 0.847 223 D CB 1.009 41.753 40.800 -0.094 0.000 1.082 223 D HN 0.885 nan 8.370 nan 0.000 0.480 224 A N 4.010 126.893 122.820 0.106 0.000 1.865 224 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 224 A C 2.169 179.808 177.584 0.091 0.000 1.191 224 A CA 1.888 54.010 52.037 0.142 0.000 0.623 224 A CB -0.969 18.090 19.000 0.098 0.000 0.826 224 A HN 0.680 nan 8.150 nan 0.000 0.444 225 A N -0.262 122.577 122.820 0.032 0.000 1.908 225 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 225 A C 1.851 179.431 177.584 -0.007 0.000 1.181 225 A CA 2.311 54.355 52.037 0.012 0.000 0.627 225 A CB -0.821 18.178 19.000 -0.003 0.000 0.818 225 A HN 0.578 nan 8.150 nan 0.000 0.445 226 D N -1.563 118.801 120.400 -0.059 0.000 2.117 226 D HA -0.187 4.452 4.640 -0.001 0.000 0.197 226 D C 1.860 178.102 176.300 -0.096 0.000 0.987 226 D CA 1.473 55.406 54.000 -0.113 0.000 0.829 226 D CB -0.181 40.496 40.800 -0.205 0.000 0.961 226 D HN 0.563 nan 8.370 nan 0.000 0.460 227 H N -0.119 118.958 119.070 0.011 0.000 2.321 227 H HA -0.053 4.503 4.556 -0.001 0.000 0.300 227 H C 2.408 177.747 175.328 0.017 0.000 1.087 227 H CA 0.975 57.033 56.048 0.017 0.000 1.319 227 H CB -0.521 29.258 29.762 0.028 0.000 1.379 227 H HN 0.244 nan 8.280 nan 0.000 0.501 228 L N 0.216 121.527 121.223 0.146 0.000 2.012 228 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 228 L C 2.766 179.665 176.870 0.049 0.000 1.073 228 L CA 0.861 55.751 54.840 0.084 0.000 0.748 228 L CB -0.515 41.581 42.059 0.062 0.000 0.891 228 L HN 0.149 nan 8.230 nan 0.000 0.431 229 L N -0.660 120.581 121.223 0.029 0.000 2.017 229 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 229 L C 2.779 179.656 176.870 0.011 0.000 1.073 229 L CA 1.383 56.228 54.840 0.008 0.000 0.745 229 L CB -0.407 41.646 42.059 -0.010 0.000 0.894 229 L HN 0.185 nan 8.230 nan 0.000 0.432 230 R N -0.344 120.168 120.500 0.020 0.000 2.189 230 R HA -0.074 4.266 4.340 -0.001 0.000 0.223 230 R C 2.037 178.358 176.300 0.036 0.000 1.092 230 R CA 0.871 56.985 56.100 0.023 0.000 0.989 230 R CB -0.140 30.176 30.300 0.027 0.000 0.876 230 R HN 0.340 nan 8.270 nan 0.000 0.457 231 L N 0.177 121.430 121.223 0.049 0.000 2.509 231 L HA 0.038 4.377 4.340 -0.001 0.000 0.222 231 L C 0.978 177.866 176.870 0.030 0.000 1.123 231 L CA 0.176 55.043 54.840 0.045 0.000 0.856 231 L CB 0.070 42.163 42.059 0.057 0.000 0.985 231 L HN 0.162 nan 8.230 nan 0.000 0.456 232 Q N 1.014 120.827 119.800 0.023 0.000 2.314 232 Q HA 0.329 4.669 4.340 -0.001 0.000 0.257 232 Q C 0.180 176.183 176.000 0.005 0.000 0.975 232 Q CA -0.374 55.437 55.803 0.014 0.000 0.933 232 Q CB 1.324 30.067 28.738 0.009 0.000 1.195 232 Q HN 0.206 nan 8.270 nan 0.000 0.426 233 G N 3.690 112.492 108.800 0.004 0.000 2.562 233 G HA2 0.235 4.194 3.960 -0.001 0.000 0.275 233 G HA3 0.235 4.194 3.960 -0.001 0.000 0.275 233 G C -1.632 173.262 174.900 -0.011 0.000 1.196 233 G CA -1.085 44.014 45.100 -0.002 0.000 0.908 233 G HN 0.634 nan 8.290 nan 0.000 0.524 234 P HA -0.058 nan 4.420 nan 0.000 0.219 234 P C 1.285 178.563 177.300 -0.038 0.000 1.146 234 P CA 1.618 64.701 63.100 -0.029 0.000 0.808 234 P CB 0.222 31.903 31.700 -0.031 0.000 0.779 235 G N -0.963 107.817 108.800 -0.034 0.000 3.277 235 G HA2 0.040 3.999 3.960 -0.001 0.000 0.243 235 G HA3 0.040 3.999 3.960 -0.001 0.000 0.243 235 G C -0.101 174.788 174.900 -0.018 0.000 1.107 235 G CA -0.110 44.964 45.100 -0.044 0.000 0.771 235 G HN 0.127 nan 8.290 nan 0.000 0.544 236 D N 0.735 121.132 120.400 -0.005 0.000 2.225 236 D HA 0.236 4.876 4.640 -0.001 0.000 0.248 236 D C -0.396 175.912 176.300 0.014 0.000 1.096 236 D CA -0.324 53.683 54.000 0.012 0.000 0.863 236 D CB 2.679 43.487 40.800 0.014 0.000 1.156 236 D HN 0.004 nan 8.370 nan 0.000 0.450 237 L N 3.611 124.852 121.223 0.029 0.000 2.278 237 L HA 0.293 4.632 4.340 -0.001 0.000 0.287 237 L C -0.880 176.008 176.870 0.030 0.000 1.072 237 L CA -0.254 54.606 54.840 0.033 0.000 0.819 237 L CB 0.578 42.669 42.059 0.054 0.000 1.176 237 L HN 0.301 nan 8.230 nan 0.000 0.435 238 L N 6.007 127.243 121.223 0.022 0.000 2.262 238 L HA 0.717 5.056 4.340 -0.001 0.000 0.288 238 L C -0.205 176.678 176.870 0.022 0.000 1.035 238 L CA -0.340 54.514 54.840 0.022 0.000 0.820 238 L CB 0.933 43.001 42.059 0.015 0.000 1.204 238 L HN 0.842 nan 8.230 nan 0.000 0.424 239 A N 7.216 130.053 122.820 0.027 0.000 2.292 239 A HA 0.797 5.116 4.320 -0.001 0.000 0.319 239 A C -0.791 176.806 177.584 0.023 0.000 1.206 239 A CA -0.535 51.517 52.037 0.025 0.000 0.835 239 A CB 0.951 19.969 19.000 0.030 0.000 1.164 239 A HN 0.831 nan 8.150 nan 0.000 0.505 240 L N -0.101 121.128 121.223 0.010 0.000 2.775 240 L HA 0.892 5.232 4.340 -0.001 0.000 0.263 240 L C 0.056 176.914 176.870 -0.020 0.000 1.017 240 L CA -0.955 53.884 54.840 -0.002 0.000 0.891 240 L CB 1.291 43.347 42.059 -0.005 0.000 1.482 240 L HN 0.810 nan 8.230 nan 0.000 0.410 241 G N 0.498 109.273 108.800 -0.042 0.000 2.491 241 G HA2 0.525 4.484 3.960 -0.001 0.000 0.242 241 G HA3 0.525 4.484 3.960 -0.001 0.000 0.242 241 G C 0.103 174.976 174.900 -0.045 0.000 1.266 241 G CA 0.071 45.138 45.100 -0.055 0.000 0.844 241 G HN 1.063 nan 8.290 nan 0.000 0.571 242 A N 3.405 126.201 122.820 -0.041 0.000 2.386 242 A HA 0.637 4.957 4.320 -0.001 0.000 0.248 242 A C -1.322 176.239 177.584 -0.038 0.000 1.082 242 A CA -0.988 51.029 52.037 -0.034 0.000 0.789 242 A CB 0.243 19.225 19.000 -0.030 0.000 1.025 242 A HN 0.635 nan 8.150 nan 0.000 0.490 243 P HA 0.291 nan 4.420 nan 0.000 0.274 243 P C 0.176 177.457 177.300 -0.032 0.000 1.246 243 P CA -0.235 62.846 63.100 -0.032 0.000 0.795 243 P CB 1.132 32.816 31.700 -0.027 0.000 1.006 244 V N 0.843 120.739 119.914 -0.031 0.000 3.240 244 V HA 0.158 4.277 4.120 -0.001 0.000 0.218 244 V C 1.343 177.422 176.094 -0.025 0.000 1.190 244 V CA 0.500 62.782 62.300 -0.029 0.000 1.280 244 V CB -0.716 31.089 31.823 -0.030 0.000 1.244 244 V HN 0.436 nan 8.190 nan 0.000 0.512 245 R N 0.825 121.312 120.500 -0.022 0.000 2.679 245 R HA 0.350 4.689 4.340 -0.001 0.000 0.269 245 R C -0.170 176.118 176.300 -0.020 0.000 1.076 245 R CA -0.142 55.947 56.100 -0.019 0.000 1.160 245 R CB 0.338 30.630 30.300 -0.013 0.000 1.054 245 R HN 0.300 nan 8.270 nan 0.000 0.507 246 R N 2.433 122.919 120.500 -0.022 0.000 2.666 246 R HA 0.230 4.569 4.340 -0.001 0.000 0.275 246 R C -0.437 175.846 176.300 -0.028 0.000 1.266 246 R CA -0.282 55.802 56.100 -0.027 0.000 1.401 246 R CB 0.253 30.534 30.300 -0.032 0.000 1.145 246 R HN 0.321 nan 8.270 nan 0.000 0.581 247 L N 1.483 122.695 121.223 -0.018 0.000 2.439 247 L HA 0.061 4.400 4.340 -0.001 0.000 0.269 247 L C 1.909 178.749 176.870 -0.050 0.000 1.179 247 L CA -0.338 54.495 54.840 -0.012 0.000 0.828 247 L CB 0.756 42.831 42.059 0.027 0.000 1.106 247 L HN 0.274 nan 8.230 nan 0.000 0.467 248 V N 1.771 121.622 119.914 -0.106 0.000 2.287 248 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 248 V C 1.546 177.414 176.094 -0.377 0.000 1.053 248 V CA 2.119 64.246 62.300 -0.289 0.000 1.027 248 V CB -0.544 31.005 31.823 -0.457 0.000 0.646 248 V HN 0.622 nan 8.190 nan 0.000 0.447 249 F N 0.201 120.144 119.950 -0.011 0.000 2.765 249 F HA 0.522 5.049 4.527 -0.001 0.000 0.302 249 F C 1.325 177.115 175.800 -0.016 0.000 1.111 249 F CA 0.427 58.419 58.000 -0.013 0.000 1.359 249 F CB -0.337 38.655 39.000 -0.013 0.000 1.097 249 F HN 0.267 nan 8.300 nan 0.000 0.577 250 G N 0.911 109.771 108.800 0.099 0.000 2.862 250 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.686 250 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.686 250 G C 0.045 174.977 174.900 0.054 0.000 1.134 250 G CA -0.461 44.671 45.100 0.054 0.000 0.791 250 G HN 0.500 nan 8.290 nan 0.000 0.592 251 S N 0.930 116.645 115.700 0.024 0.000 2.641 251 S HA 0.653 5.122 4.470 -0.001 0.000 0.261 251 S C 1.767 176.371 174.600 0.007 0.000 1.257 251 S CA 0.793 59.001 58.200 0.014 0.000 0.983 251 S CB 1.214 64.413 63.200 -0.002 0.000 0.990 251 S HN 1.320 nan 8.310 nan 0.000 0.572 252 T N 1.643 116.197 114.554 -0.000 0.000 2.635 252 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 252 T C 2.147 176.843 174.700 -0.007 0.000 1.040 252 T CA 1.988 64.087 62.100 -0.002 0.000 1.156 252 T CB -1.131 67.734 68.868 -0.005 0.000 0.863 252 T HN 0.836 nan 8.240 nan 0.000 0.430 253 A N 1.221 124.032 122.820 -0.016 0.000 1.972 253 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 253 A C 2.203 179.776 177.584 -0.018 0.000 1.169 253 A CA 1.559 53.585 52.037 -0.019 0.000 0.635 253 A CB -0.507 18.477 19.000 -0.027 0.000 0.810 253 A HN 0.590 nan 8.150 nan 0.000 0.446 254 E N -0.462 119.729 120.200 -0.015 0.000 2.077 254 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 254 E C 2.344 178.935 176.600 -0.015 0.000 0.989 254 E CA 1.100 57.491 56.400 -0.015 0.000 0.800 254 E CB -0.163 29.531 29.700 -0.010 0.000 0.746 254 E HN 0.541 nan 8.360 nan 0.000 0.452 255 R N 0.332 120.828 120.500 -0.007 0.000 2.075 255 R HA -0.075 4.265 4.340 -0.001 0.000 0.232 255 R C 2.470 178.759 176.300 -0.019 0.000 1.126 255 R CA 0.877 56.972 56.100 -0.008 0.000 0.963 255 R CB -0.266 30.036 30.300 0.002 0.000 0.858 255 R HN 0.049 nan 8.270 nan 0.000 0.435 256 V N 1.585 121.490 119.914 -0.016 0.000 2.261 256 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 256 V C 2.297 178.374 176.094 -0.030 0.000 1.047 256 V CA 1.782 64.072 62.300 -0.018 0.000 1.015 256 V CB -0.367 31.451 31.823 -0.008 0.000 0.642 256 V HN 0.256 nan 8.190 nan 0.000 0.446 257 I N -0.262 120.289 120.570 -0.031 0.000 2.208 257 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 257 I C 2.733 178.812 176.117 -0.064 0.000 1.097 257 I CA 1.865 63.141 61.300 -0.041 0.000 1.363 257 I CB -0.463 37.516 38.000 -0.035 0.000 1.051 257 I HN 0.234 nan 8.210 nan 0.000 0.413 258 R N 1.170 121.632 120.500 -0.063 0.000 2.096 258 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 258 R C 1.402 177.631 176.300 -0.119 0.000 1.127 258 R CA 1.569 57.614 56.100 -0.091 0.000 0.968 258 R CB -0.023 30.238 30.300 -0.064 0.000 0.861 258 R HN 0.424 nan 8.270 nan 0.000 0.440 259 N N 0.047 118.696 118.700 -0.086 0.000 2.205 259 N HA 0.091 4.830 4.740 -0.001 0.000 0.201 259 N C -0.509 174.956 175.510 -0.076 0.000 1.128 259 N CA 0.326 53.324 53.050 -0.086 0.000 0.867 259 N CB 1.064 39.516 38.487 -0.059 0.000 0.996 259 N HN 0.141 nan 8.380 nan 0.000 0.503 260 A N 1.096 123.874 122.820 -0.070 0.000 2.565 260 A HA -0.036 4.283 4.320 -0.001 0.000 0.237 260 A C 1.278 178.826 177.584 -0.060 0.000 1.053 260 A CA 0.301 52.305 52.037 -0.054 0.000 0.755 260 A CB 0.470 19.442 19.000 -0.046 0.000 0.980 260 A HN 0.101 nan 8.150 nan 0.000 0.506 261 Q N 1.460 121.234 119.800 -0.043 0.000 2.354 261 Q HA 0.114 4.453 4.340 -0.001 0.000 0.203 261 Q C 1.005 176.982 176.000 -0.039 0.000 0.933 261 Q CA 1.168 56.945 55.803 -0.042 0.000 0.901 261 Q CB 0.239 28.958 28.738 -0.031 0.000 1.007 261 Q HN 0.880 nan 8.270 nan 0.000 0.495 262 G N 0.745 109.526 108.800 -0.032 0.000 3.140 262 G HA2 0.530 4.490 3.960 -0.001 0.000 0.271 262 G HA3 0.530 4.490 3.960 -0.001 0.000 0.271 262 G C -2.866 172.019 174.900 -0.026 0.000 1.370 262 G CA -1.490 43.592 45.100 -0.029 0.000 1.014 262 G HN -0.163 nan 8.290 nan 0.000 0.541 263 P HA 0.323 nan 4.420 nan 0.000 0.268 263 P C -0.617 176.683 177.300 -0.000 0.000 1.205 263 P CA -0.140 62.955 63.100 -0.009 0.000 0.771 263 P CB 1.230 32.928 31.700 -0.002 0.000 0.858 264 V N 4.052 123.967 119.914 0.001 0.000 2.735 264 V HA 0.394 4.514 4.120 -0.001 0.000 0.310 264 V C -0.388 175.713 176.094 0.012 0.000 1.061 264 V CA -0.680 61.622 62.300 0.004 0.000 0.913 264 V CB 1.999 33.817 31.823 -0.007 0.000 1.005 264 V HN 0.318 nan 8.190 nan 0.000 0.428 265 L N 5.149 126.382 121.223 0.016 0.000 2.294 265 L HA 0.749 5.089 4.340 -0.001 0.000 0.283 265 L C 0.234 177.110 176.870 0.010 0.000 1.015 265 L CA 0.318 55.170 54.840 0.019 0.000 0.831 265 L CB 1.613 43.690 42.059 0.029 0.000 1.217 265 L HN 0.884 nan 8.230 nan 0.000 0.420 266 T N 2.375 116.932 114.554 0.005 0.000 2.895 266 T HA 0.963 5.312 4.350 -0.001 0.000 0.283 266 T C -0.309 174.388 174.700 -0.006 0.000 1.014 266 T CA -0.291 61.806 62.100 -0.005 0.000 1.037 266 T CB 1.831 70.693 68.868 -0.010 0.000 1.006 266 T HN 0.945 nan 8.240 nan 0.000 0.468 267 A N 2.436 125.246 122.820 -0.016 0.000 2.549 267 A HA 0.956 5.275 4.320 -0.001 0.000 0.297 267 A C -0.390 177.172 177.584 -0.036 0.000 1.061 267 A CA -1.310 50.715 52.037 -0.022 0.000 0.690 267 A CB 1.576 20.563 19.000 -0.023 0.000 1.287 267 A HN 1.294 nan 8.150 nan 0.000 0.402 268 R N 0.000 120.479 120.500 -0.035 0.000 2.786 268 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 268 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 268 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 268 R HN 0.000 nan 8.270 nan 0.000 0.535