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 1vm1_1_A DATA FIRST_RESID 26 DATA SEQUENCE SPQPLEQIKL SESQLSGRVG MIEMDLASGR TLTAWRADER FPMMSTFKVV DATA SEQUENCE LcGAVLARVD AGDEQLERKI HYRQQDLVDY SPVSEKHLAD GMTVGELcAA DATA SEQUENCE AITMSDNSAA NLLLATVGGP AGLTAFLRQI GDNVTRLDRW ETELNEALPG DATA SEQUENCE DARDTTTPAS MAATLRKLLT SQRLSARSQR QLLQWMVDDR VAGPLIRSVL DATA SEQUENCE PAGWFIADKT GAGXERGARG IVALLGPXNN KAERIVVIYL RDTPASMAER DATA SEQUENCE NQQIAGIGAA LIEHWQR 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.712 174.600 0.186 0.000 1.055 26 S CA 0.000 58.252 58.200 0.087 0.000 1.107 26 S CB 0.000 63.246 63.200 0.077 0.000 0.593 27 P HA 0.317 nan 4.420 nan 0.000 0.276 27 P C -0.846 176.389 177.300 -0.109 0.000 1.261 27 P CA -0.589 62.513 63.100 0.002 0.000 0.800 27 P CB 0.313 31.989 31.700 -0.040 0.000 1.066 28 Q N 0.593 120.197 119.800 -0.327 0.000 2.428 28 Q HA 0.014 4.355 4.340 0.001 0.000 0.276 28 Q C -1.530 174.344 176.000 -0.209 0.000 1.059 28 Q CA -0.968 54.535 55.803 -0.499 0.000 0.923 28 Q CB -0.699 27.821 28.738 -0.363 0.000 1.283 28 Q HN 0.313 nan 8.270 nan 0.000 0.447 29 P HA -0.176 nan 4.420 nan 0.000 0.215 29 P C 1.244 178.459 177.300 -0.141 0.000 1.157 29 P CA 1.004 64.063 63.100 -0.068 0.000 0.874 29 P CB 0.209 31.903 31.700 -0.009 0.000 0.790 30 L N -0.499 120.630 121.223 -0.156 0.000 2.156 30 L HA -0.106 4.235 4.340 0.001 0.000 0.208 30 L C 2.162 178.851 176.870 -0.301 0.000 1.095 30 L CA 1.691 56.381 54.840 -0.250 0.000 0.770 30 L CB -1.825 40.148 42.059 -0.143 0.000 0.914 30 L HN 0.037 nan 8.230 nan 0.000 0.439 31 E N -0.926 119.153 120.200 -0.201 0.000 2.058 31 E HA -0.300 4.051 4.350 0.001 0.000 0.194 31 E C 2.097 178.593 176.600 -0.174 0.000 0.997 31 E CA 1.339 57.638 56.400 -0.168 0.000 0.801 31 E CB -0.132 29.495 29.700 -0.121 0.000 0.746 31 E HN 0.362 nan 8.360 nan 0.000 0.450 32 Q N 1.094 120.799 119.800 -0.158 0.000 2.084 32 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 32 Q C 1.944 177.832 176.000 -0.187 0.000 0.978 32 Q CA 1.462 57.186 55.803 -0.132 0.000 0.844 32 Q CB -0.266 28.420 28.738 -0.086 0.000 0.898 32 Q HN 0.351 nan 8.270 nan 0.000 0.426 33 I N 0.196 120.592 120.570 -0.290 0.000 2.208 33 I HA -0.326 3.845 4.170 0.001 0.000 0.245 33 I C 2.231 178.074 176.117 -0.457 0.000 1.097 33 I CA 1.494 62.536 61.300 -0.430 0.000 1.363 33 I CB -0.252 37.315 38.000 -0.722 0.000 1.051 33 I HN 0.229 nan 8.210 nan 0.000 0.413 34 K N 0.191 120.309 120.400 -0.470 0.000 2.026 34 K HA -0.222 4.098 4.320 0.001 0.000 0.208 34 K C 2.093 178.616 176.600 -0.129 0.000 1.048 34 K CA 1.338 57.451 56.287 -0.291 0.000 0.929 34 K CB -0.362 32.005 32.500 -0.221 0.000 0.713 34 K HN 0.127 nan 8.250 nan 0.000 0.439 35 L N 1.317 122.465 121.223 -0.124 0.000 2.042 35 L HA -0.203 4.138 4.340 0.001 0.000 0.210 35 L C 2.065 178.904 176.870 -0.052 0.000 1.076 35 L CA 1.789 56.588 54.840 -0.069 0.000 0.749 35 L CB -0.522 41.498 42.059 -0.066 0.000 0.893 35 L HN 0.018 nan 8.230 nan 0.000 0.432 36 S N -0.570 115.087 115.700 -0.072 0.000 2.368 36 S HA -0.193 4.277 4.470 0.001 0.000 0.225 36 S C 1.780 176.378 174.600 -0.003 0.000 1.030 36 S CA 1.524 59.700 58.200 -0.039 0.000 0.999 36 S CB -0.330 62.839 63.200 -0.052 0.000 0.844 36 S HN 0.556 nan 8.310 nan 0.000 0.459 37 E N 0.729 120.934 120.200 0.008 0.000 2.077 37 E HA -0.120 4.231 4.350 0.001 0.000 0.193 37 E C 2.310 178.947 176.600 0.061 0.000 0.989 37 E CA 1.206 57.652 56.400 0.077 0.000 0.800 37 E CB -0.223 29.573 29.700 0.160 0.000 0.746 37 E HN 0.436 nan 8.360 nan 0.000 0.452 38 S N 0.667 116.389 115.700 0.036 0.000 2.355 38 S HA -0.207 4.263 4.470 0.001 0.000 0.222 38 S C 2.006 176.620 174.600 0.023 0.000 1.031 38 S CA 1.285 59.504 58.200 0.032 0.000 0.993 38 S CB -0.034 63.176 63.200 0.017 0.000 0.859 38 S HN 0.201 nan 8.310 nan 0.000 0.453 39 Q N -0.023 119.785 119.800 0.013 0.000 2.119 39 Q HA 0.058 4.399 4.340 0.001 0.000 0.201 39 Q C 2.123 178.134 176.000 0.018 0.000 0.972 39 Q CA 1.369 57.179 55.803 0.011 0.000 0.847 39 Q CB -0.186 28.553 28.738 0.001 0.000 0.903 39 Q HN 0.523 nan 8.270 nan 0.000 0.433 40 L N -0.404 120.835 121.223 0.026 0.000 2.418 40 L HA 0.037 4.377 4.340 0.001 0.000 0.218 40 L C 0.496 177.392 176.870 0.042 0.000 1.125 40 L CA -0.031 54.830 54.840 0.035 0.000 0.835 40 L CB 0.230 42.317 42.059 0.047 0.000 0.953 40 L HN 0.010 nan 8.230 nan 0.000 0.454 41 S N 0.018 115.745 115.700 0.046 0.000 3.682 41 S HA -0.132 4.338 4.470 0.001 0.000 0.354 41 S C 0.338 174.977 174.600 0.064 0.000 1.034 41 S CA 0.446 58.675 58.200 0.049 0.000 1.084 41 S CB -1.630 61.592 63.200 0.037 0.000 0.903 41 S HN 0.695 nan 8.310 nan 0.000 0.470 42 G N -0.316 108.536 108.800 0.086 0.000 2.733 42 G HA2 0.681 4.641 3.960 0.001 0.000 0.288 42 G HA3 0.681 4.641 3.960 0.001 0.000 0.288 42 G C -0.955 174.043 174.900 0.163 0.000 1.373 42 G CA -1.029 44.136 45.100 0.108 0.000 0.895 42 G HN 0.252 nan 8.290 nan 0.000 0.479 43 R N -0.494 120.128 120.500 0.202 0.000 2.349 43 R HA 0.558 4.898 4.340 0.001 0.000 0.299 43 R C -0.763 175.803 176.300 0.443 0.000 1.027 43 R CA -0.400 55.889 56.100 0.314 0.000 0.958 43 R CB 1.757 32.212 30.300 0.257 0.000 1.047 43 R HN 0.244 nan 8.270 nan 0.000 0.468 44 V N 1.740 121.942 119.914 0.480 0.000 2.581 44 V HA 0.612 4.732 4.120 0.001 0.000 0.303 44 V C 0.359 176.701 176.094 0.414 0.000 1.041 44 V CA -0.634 61.877 62.300 0.351 0.000 0.907 44 V CB 2.028 33.995 31.823 0.239 0.000 0.994 44 V HN 0.951 nan 8.190 nan 0.000 0.442 45 G N 4.030 112.761 108.800 -0.115 0.000 2.542 45 G HA2 0.722 4.682 3.960 0.001 0.000 0.311 45 G HA3 0.722 4.682 3.960 0.001 0.000 0.311 45 G C -1.178 173.675 174.900 -0.079 0.000 1.298 45 G CA -0.464 44.526 45.100 -0.182 0.000 0.973 45 G HN 0.482 nan 8.290 nan 0.000 0.487 46 M N 2.678 122.330 119.600 0.087 0.000 2.413 46 M HA 0.669 5.150 4.480 0.001 0.000 0.287 46 M C -2.339 174.003 176.300 0.071 0.000 1.186 46 M CA -0.912 54.417 55.300 0.048 0.000 0.927 46 M CB 2.049 34.687 32.600 0.063 0.000 1.715 46 M HN 0.592 nan 8.290 nan 0.000 0.478 47 I N 2.475 123.059 120.570 0.023 0.000 2.722 47 I HA 0.490 4.660 4.170 0.001 0.000 0.295 47 I C -1.439 174.682 176.117 0.007 0.000 1.161 47 I CA -0.184 61.131 61.300 0.026 0.000 1.032 47 I CB 2.221 40.240 38.000 0.031 0.000 1.244 47 I HN 0.871 nan 8.210 nan 0.000 0.421 48 E N 8.372 128.567 120.200 -0.009 0.000 2.182 48 E HA 0.424 4.774 4.350 0.001 0.000 0.258 48 E C -1.729 174.835 176.600 -0.061 0.000 0.879 48 E CA -0.696 55.682 56.400 -0.038 0.000 0.754 48 E CB 1.434 31.074 29.700 -0.099 0.000 1.162 48 E HN 0.631 nan 8.360 nan 0.000 0.419 49 M N 3.504 123.082 119.600 -0.036 0.000 2.464 49 M HA 0.320 4.800 4.480 0.001 0.000 0.308 49 M C -1.229 175.049 176.300 -0.036 0.000 1.127 49 M CA -0.847 54.431 55.300 -0.037 0.000 0.913 49 M CB 1.845 34.441 32.600 -0.007 0.000 1.689 49 M HN 0.438 nan 8.290 nan 0.000 0.445 50 D N 3.361 123.732 120.400 -0.048 0.000 2.450 50 D HA 0.021 4.662 4.640 0.001 0.000 0.247 50 D C 0.902 177.194 176.300 -0.013 0.000 1.162 50 D CA 0.072 54.052 54.000 -0.033 0.000 0.879 50 D CB 1.270 42.046 40.800 -0.040 0.000 1.163 50 D HN 0.518 nan 8.370 nan 0.000 0.472 51 L N 4.669 125.890 121.223 -0.004 0.000 2.042 51 L HA -0.185 4.155 4.340 0.001 0.000 0.210 51 L C 2.017 178.879 176.870 -0.013 0.000 1.076 51 L CA 2.023 56.859 54.840 -0.006 0.000 0.749 51 L CB -0.698 41.349 42.059 -0.020 0.000 0.893 51 L HN 0.485 nan 8.230 nan 0.000 0.432 52 A N -1.357 121.451 122.820 -0.019 0.000 1.873 52 A HA -0.159 4.162 4.320 0.001 0.000 0.215 52 A C 2.371 179.945 177.584 -0.016 0.000 1.186 52 A CA 2.149 54.174 52.037 -0.020 0.000 0.616 52 A CB -0.752 18.234 19.000 -0.024 0.000 0.823 52 A HN 0.627 nan 8.150 nan 0.000 0.442 53 S N -3.478 112.212 115.700 -0.017 0.000 2.524 53 S HA 0.427 4.897 4.470 0.001 0.000 0.222 53 S C 1.359 175.951 174.600 -0.013 0.000 1.040 53 S CA 1.157 59.348 58.200 -0.015 0.000 0.915 53 S CB 0.269 63.458 63.200 -0.018 0.000 0.831 53 S HN 1.970 nan 8.310 nan 0.000 0.492 54 G N 1.963 110.755 108.800 -0.014 0.000 2.132 54 G HA2 -0.292 3.668 3.960 0.001 0.000 0.234 54 G HA3 -0.292 3.668 3.960 0.001 0.000 0.234 54 G C 0.023 174.912 174.900 -0.017 0.000 0.989 54 G CA 0.064 45.157 45.100 -0.011 0.000 0.676 54 G HN 0.745 nan 8.290 nan 0.000 0.522 55 R N 1.033 121.518 120.500 -0.025 0.000 2.480 55 R HA 0.320 4.661 4.340 0.001 0.000 0.303 55 R C -0.183 176.093 176.300 -0.040 0.000 0.985 55 R CA 0.680 56.761 56.100 -0.032 0.000 1.051 55 R CB 0.058 30.333 30.300 -0.041 0.000 0.935 55 R HN 0.115 nan 8.270 nan 0.000 0.410 56 T N 6.421 120.955 114.554 -0.033 0.000 2.749 56 T HA 0.147 4.497 4.350 0.001 0.000 0.295 56 T C 1.115 175.784 174.700 -0.052 0.000 0.936 56 T CA -0.439 61.640 62.100 -0.035 0.000 1.060 56 T CB 1.009 69.868 68.868 -0.015 0.000 0.904 56 T HN 0.532 nan 8.240 nan 0.000 0.500 57 L N 2.969 124.143 121.223 -0.081 0.000 2.298 57 L HA 0.240 4.580 4.340 0.001 0.000 0.209 57 L C 0.898 177.727 176.870 -0.068 0.000 1.084 57 L CA 0.893 55.671 54.840 -0.104 0.000 0.816 57 L CB 0.311 42.251 42.059 -0.200 0.000 0.967 57 L HN 0.665 nan 8.230 nan 0.000 0.460 58 T N -1.463 113.065 114.554 -0.044 0.000 2.893 58 T HA 0.732 5.082 4.350 0.001 0.000 0.337 58 T C -1.323 173.395 174.700 0.031 0.000 1.587 58 T CA -0.364 61.734 62.100 -0.004 0.000 1.066 58 T CB 1.983 70.848 68.868 -0.005 0.000 1.414 58 T HN 0.035 nan 8.240 nan 0.000 0.488 59 A N 1.461 124.330 122.820 0.081 0.000 2.610 59 A HA 0.882 5.203 4.320 0.001 0.000 0.291 59 A C -2.420 175.305 177.584 0.235 0.000 1.086 59 A CA -0.845 51.262 52.037 0.117 0.000 0.677 59 A CB 1.809 20.854 19.000 0.074 0.000 1.278 59 A HN 0.946 nan 8.150 nan 0.000 0.414 60 W N 2.090 123.401 121.300 0.018 0.000 3.423 60 W HA 0.403 5.063 4.660 0.001 0.000 0.330 60 W C -0.426 176.137 176.519 0.073 0.000 1.102 60 W CA -0.401 56.965 57.345 0.035 0.000 1.261 60 W CB 0.852 30.327 29.460 0.024 0.000 1.283 60 W HN 1.053 nan 8.180 nan 0.000 0.447 61 R N 2.383 122.666 120.500 -0.362 0.000 3.516 61 R HA -0.243 4.097 4.340 0.001 0.000 0.271 61 R C 1.060 177.409 176.300 0.082 0.000 1.098 61 R CA 1.035 57.020 56.100 -0.191 0.000 0.732 61 R CB -1.895 28.313 30.300 -0.153 0.000 1.152 61 R HN 0.449 nan 8.270 nan 0.000 0.455 62 A N 0.300 123.155 122.820 0.058 0.000 2.121 62 A HA -0.117 4.203 4.320 0.001 0.000 0.218 62 A C 1.279 178.923 177.584 0.100 0.000 1.154 62 A CA 1.283 53.378 52.037 0.097 0.000 0.679 62 A CB 0.097 19.139 19.000 0.070 0.000 0.795 62 A HN 0.338 nan 8.150 nan 0.000 0.458 63 D N 0.070 120.506 120.400 0.059 0.000 2.368 63 D HA 0.109 4.750 4.640 0.001 0.000 0.218 63 D C -0.135 176.191 176.300 0.043 0.000 1.112 63 D CA 0.084 54.111 54.000 0.045 0.000 0.834 63 D CB 0.292 41.096 40.800 0.007 0.000 0.953 63 D HN 0.577 nan 8.370 nan 0.000 0.505 64 E N 0.906 121.161 120.200 0.091 0.000 2.242 64 E HA 0.341 4.691 4.350 0.001 0.000 0.275 64 E C 0.142 176.759 176.600 0.029 0.000 1.002 64 E CA -0.584 55.820 56.400 0.006 0.000 0.841 64 E CB 1.873 31.538 29.700 -0.058 0.000 1.109 64 E HN -0.126 nan 8.360 nan 0.000 0.394 65 R N 1.848 122.252 120.500 -0.160 0.000 2.390 65 R HA 0.407 4.748 4.340 0.001 0.000 0.291 65 R C -0.801 175.253 176.300 -0.410 0.000 1.070 65 R CA 0.013 56.029 56.100 -0.139 0.000 1.014 65 R CB 0.505 30.723 30.300 -0.136 0.000 1.007 65 R HN 0.333 nan 8.270 nan 0.000 0.466 66 F N 2.179 122.035 119.950 -0.156 0.000 2.591 66 F HA 0.332 4.859 4.527 0.001 0.000 0.309 66 F C -2.111 173.481 175.800 -0.346 0.000 1.098 66 F CA -2.881 54.980 58.000 -0.231 0.000 0.937 66 F CB 1.929 40.751 39.000 -0.297 0.000 1.250 66 F HN 0.336 nan 8.300 nan 0.000 0.447 67 P HA 0.171 nan 4.420 nan 0.000 0.267 67 P C 0.455 177.627 177.300 -0.213 0.000 1.205 67 P CA 0.054 63.087 63.100 -0.111 0.000 0.765 67 P CB 0.682 32.356 31.700 -0.043 0.000 0.828 68 M N 1.836 121.342 119.600 -0.156 0.000 2.200 68 M HA -0.091 4.389 4.480 0.001 0.000 0.265 68 M C 1.004 177.376 176.300 0.120 0.000 1.066 68 M CA 1.393 56.663 55.300 -0.050 0.000 1.127 68 M CB -0.481 32.154 32.600 0.057 0.000 1.379 68 M HN 0.415 nan 8.290 nan 0.000 0.420 69 M N -1.572 118.082 119.600 0.090 0.000 7.319 69 M HA -0.344 4.137 4.480 0.001 0.000 0.104 69 M C 1.074 177.530 176.300 0.260 0.000 0.480 69 M CA 1.182 56.565 55.300 0.138 0.000 1.311 69 M CB -1.336 31.341 32.600 0.130 0.000 0.421 69 M HN 0.012 nan 8.290 nan 0.000 0.175 70 S N -0.220 115.610 115.700 0.216 0.000 2.507 70 S HA -0.093 4.377 4.470 0.001 0.000 0.235 70 S C 1.614 176.292 174.600 0.129 0.000 0.988 70 S CA 1.496 59.813 58.200 0.195 0.000 0.944 70 S CB -0.734 62.517 63.200 0.086 0.000 0.762 70 S HN 0.808 nan 8.310 nan 0.000 0.526 71 T N 0.569 115.234 114.554 0.185 0.000 2.929 71 T HA -0.161 4.189 4.350 0.001 0.000 0.271 71 T C 1.559 176.352 174.700 0.156 0.000 1.085 71 T CA 1.117 63.316 62.100 0.165 0.000 1.125 71 T CB -0.850 68.168 68.868 0.251 0.000 0.874 71 T HN 0.594 nan 8.240 nan 0.000 0.494 72 F N 1.701 121.690 119.950 0.066 0.000 2.365 72 F HA 0.258 4.786 4.527 0.001 0.000 0.300 72 F C 1.982 177.793 175.800 0.018 0.000 1.090 72 F CA 0.324 58.349 58.000 0.040 0.000 1.408 72 F CB -0.435 38.569 39.000 0.007 0.000 1.060 72 F HN 0.040 nan 8.300 nan 0.000 0.534 73 K N 0.955 120.852 120.400 -0.838 0.000 2.152 73 K HA -0.106 4.215 4.320 0.001 0.000 0.206 73 K C 2.013 178.383 176.600 -0.384 0.000 1.048 73 K CA 1.469 57.252 56.287 -0.840 0.000 0.933 73 K CB -0.386 31.784 32.500 -0.551 0.000 0.721 73 K HN 0.290 nan 8.250 nan 0.000 0.447 74 V N 0.555 120.362 119.914 -0.179 0.000 2.358 74 V HA -0.208 3.912 4.120 0.001 0.000 0.246 74 V C 2.149 178.243 176.094 0.001 0.000 1.047 74 V CA 1.462 63.739 62.300 -0.038 0.000 1.035 74 V CB -0.257 31.588 31.823 0.037 0.000 0.658 74 V HN 0.084 nan 8.190 nan 0.000 0.452 75 V N -0.218 119.707 119.914 0.019 0.000 2.379 75 V HA -0.182 3.938 4.120 0.001 0.000 0.245 75 V C 2.359 178.472 176.094 0.032 0.000 1.044 75 V CA 1.740 64.099 62.300 0.098 0.000 1.036 75 V CB -0.532 31.394 31.823 0.172 0.000 0.664 75 V HN 0.520 nan 8.190 nan 0.000 0.453 76 L N 0.171 121.353 121.223 -0.068 0.000 2.012 76 L HA -0.195 4.146 4.340 0.001 0.000 0.210 76 L C 2.288 179.061 176.870 -0.163 0.000 1.073 76 L CA 2.219 56.983 54.840 -0.127 0.000 0.748 76 L CB -0.987 40.906 42.059 -0.277 0.000 0.891 76 L HN 0.345 nan 8.230 nan 0.000 0.431 77 c N 0.173 118.682 118.600 -0.152 0.000 2.448 77 c HA 0.064 4.634 4.570 0.001 0.000 0.280 77 c C 2.743 176.849 174.090 0.026 0.000 1.398 77 c CA 0.333 56.609 56.329 -0.088 0.000 1.774 77 c CB -1.909 40.499 42.510 -0.170 0.000 1.888 77 c HN 0.784 nan 8.230 nan 0.000 0.519 78 G N 0.623 109.433 108.800 0.017 0.000 2.418 78 G HA2 -0.082 3.878 3.960 0.001 0.000 0.217 78 G HA3 -0.082 3.878 3.960 0.001 0.000 0.217 78 G C 1.850 176.644 174.900 -0.177 0.000 1.158 78 G CA 1.017 46.145 45.100 0.047 0.000 0.771 78 G HN 0.589 nan 8.290 nan 0.000 0.545 79 A N -0.061 122.435 122.820 -0.540 0.000 1.968 79 A HA 0.193 4.514 4.320 0.001 0.000 0.217 79 A C 2.569 179.884 177.584 -0.448 0.000 1.169 79 A CA 1.540 52.943 52.037 -1.056 0.000 0.638 79 A CB -0.413 17.915 19.000 -1.121 0.000 0.812 79 A HN 0.232 nan 8.150 nan 0.000 0.446 80 V N 0.156 119.930 119.914 -0.233 0.000 2.358 80 V HA -0.243 3.877 4.120 0.001 0.000 0.246 80 V C 2.544 178.617 176.094 -0.035 0.000 1.047 80 V CA 1.895 64.133 62.300 -0.103 0.000 1.035 80 V CB -0.755 31.034 31.823 -0.056 0.000 0.658 80 V HN 0.572 nan 8.190 nan 0.000 0.452 81 L N 0.169 121.398 121.223 0.011 0.000 2.079 81 L HA -0.188 4.153 4.340 0.001 0.000 0.210 81 L C 2.713 179.599 176.870 0.027 0.000 1.081 81 L CA 1.596 56.466 54.840 0.050 0.000 0.752 81 L CB -0.793 41.316 42.059 0.084 0.000 0.896 81 L HN 0.364 nan 8.230 nan 0.000 0.433 82 A N 0.100 122.922 122.820 0.002 0.000 1.933 82 A HA -0.210 4.111 4.320 0.001 0.000 0.218 82 A C 2.391 179.993 177.584 0.031 0.000 1.175 82 A CA 1.542 53.611 52.037 0.053 0.000 0.628 82 A CB -0.446 18.626 19.000 0.121 0.000 0.814 82 A HN 0.346 nan 8.150 nan 0.000 0.444 83 R N -0.823 119.669 120.500 -0.015 0.000 2.092 83 R HA -0.041 4.299 4.340 0.001 0.000 0.231 83 R C 2.002 178.312 176.300 0.017 0.000 1.119 83 R CA 1.288 57.389 56.100 0.002 0.000 0.970 83 R CB -0.482 29.807 30.300 -0.017 0.000 0.864 83 R HN 0.393 nan 8.270 nan 0.000 0.440 84 V N 1.644 121.570 119.914 0.020 0.000 2.358 84 V HA -0.227 3.893 4.120 0.001 0.000 0.246 84 V C 1.505 177.614 176.094 0.025 0.000 1.047 84 V CA 1.903 64.219 62.300 0.026 0.000 1.035 84 V CB -0.395 31.449 31.823 0.034 0.000 0.658 84 V HN 0.250 nan 8.190 nan 0.000 0.452 85 D N 0.724 121.141 120.400 0.029 0.000 2.144 85 D HA -0.101 4.540 4.640 0.001 0.000 0.199 85 D C 2.000 178.319 176.300 0.031 0.000 0.984 85 D CA 1.582 55.600 54.000 0.030 0.000 0.834 85 D CB -0.258 40.564 40.800 0.037 0.000 0.955 85 D HN 0.473 nan 8.370 nan 0.000 0.465 86 A N -0.257 122.584 122.820 0.036 0.000 2.235 86 A HA 0.375 4.696 4.320 0.001 0.000 0.208 86 A C 1.767 179.368 177.584 0.028 0.000 1.172 86 A CA 1.053 53.111 52.037 0.035 0.000 0.786 86 A CB -0.366 18.660 19.000 0.043 0.000 0.804 86 A HN 0.253 nan 8.150 nan 0.000 0.479 87 G N -0.590 108.225 108.800 0.025 0.000 2.148 87 G HA2 -0.248 3.713 3.960 0.001 0.000 0.254 87 G HA3 -0.248 3.713 3.960 0.001 0.000 0.254 87 G C 0.328 175.242 174.900 0.023 0.000 0.981 87 G CA 0.533 45.647 45.100 0.022 0.000 0.670 87 G HN 0.483 nan 8.290 nan 0.000 0.528 88 D N -0.093 120.321 120.400 0.024 0.000 2.350 88 D HA 0.282 4.922 4.640 0.001 0.000 0.213 88 D C 0.958 177.272 176.300 0.022 0.000 1.031 88 D CA 1.203 55.217 54.000 0.023 0.000 0.861 88 D CB 0.729 41.543 40.800 0.023 0.000 0.926 88 D HN 0.631 nan 8.370 nan 0.000 0.520 89 E N -0.055 120.158 120.200 0.022 0.000 2.430 89 E HA 0.353 4.704 4.350 0.001 0.000 0.279 89 E C -1.758 174.859 176.600 0.027 0.000 1.003 89 E CA -0.578 55.836 56.400 0.024 0.000 0.801 89 E CB 1.510 31.220 29.700 0.018 0.000 1.313 89 E HN -0.252 nan 8.360 nan 0.000 0.459 90 Q N 2.019 121.837 119.800 0.031 0.000 2.372 90 Q HA 0.399 4.740 4.340 0.001 0.000 0.273 90 Q C 0.115 176.142 176.000 0.044 0.000 1.078 90 Q CA -0.784 55.039 55.803 0.034 0.000 0.806 90 Q CB 1.835 30.591 28.738 0.030 0.000 1.332 90 Q HN 0.466 nan 8.270 nan 0.000 0.435 91 L N 1.378 122.634 121.223 0.054 0.000 2.291 91 L HA -0.089 4.252 4.340 0.001 0.000 0.214 91 L C 1.032 177.937 176.870 0.059 0.000 1.120 91 L CA 1.627 56.515 54.840 0.080 0.000 0.799 91 L CB -0.351 41.769 42.059 0.102 0.000 0.925 91 L HN 0.787 nan 8.230 nan 0.000 0.446 92 E N -0.629 119.596 120.200 0.042 0.000 2.371 92 E HA -0.048 4.303 4.350 0.001 0.000 0.194 92 E C 1.001 177.619 176.600 0.029 0.000 1.012 92 E CA -0.109 56.310 56.400 0.032 0.000 0.860 92 E CB -0.006 29.711 29.700 0.027 0.000 0.811 92 E HN 0.185 nan 8.360 nan 0.000 0.502 93 R N 1.910 122.429 120.500 0.032 0.000 2.458 93 R HA 0.006 4.347 4.340 0.001 0.000 0.303 93 R C -0.349 175.967 176.300 0.028 0.000 1.013 93 R CA -0.018 56.103 56.100 0.035 0.000 1.026 93 R CB 0.300 30.622 30.300 0.036 0.000 0.948 93 R HN -0.228 nan 8.270 nan 0.000 0.417 94 K N 4.571 124.991 120.400 0.034 0.000 2.276 94 K HA 0.220 4.540 4.320 0.001 0.000 0.283 94 K C -0.669 175.927 176.600 -0.008 0.000 1.044 94 K CA -0.066 56.218 56.287 -0.005 0.000 0.944 94 K CB 0.660 33.181 32.500 0.035 0.000 1.012 94 K HN 0.500 nan 8.250 nan 0.000 0.472 95 I N 4.496 125.020 120.570 -0.076 0.000 2.441 95 I HA 0.240 4.411 4.170 0.001 0.000 0.295 95 I C -0.163 175.862 176.117 -0.154 0.000 0.994 95 I CA -0.850 60.452 61.300 0.003 0.000 1.144 95 I CB 1.329 39.378 38.000 0.081 0.000 1.314 95 I HN 0.565 nan 8.210 nan 0.000 0.445 96 H N 6.220 125.345 119.070 0.092 0.000 2.466 96 H HA 0.435 4.992 4.556 0.001 0.000 0.338 96 H C -1.304 174.051 175.328 0.045 0.000 1.091 96 H CA -0.387 55.642 56.048 -0.033 0.000 1.207 96 H CB 1.745 31.466 29.762 -0.069 0.000 1.466 96 H HN 0.512 nan 8.280 nan 0.000 0.493 97 Y N -0.121 120.234 120.300 0.090 0.000 2.638 97 Y HA 0.620 5.170 4.550 0.001 0.000 0.339 97 Y C -0.469 175.462 175.900 0.052 0.000 1.084 97 Y CA -1.369 56.764 58.100 0.055 0.000 1.068 97 Y CB 1.330 39.806 38.460 0.026 0.000 1.294 97 Y HN 0.311 nan 8.280 nan 0.000 0.480 98 R N 0.423 121.036 120.500 0.188 0.000 2.782 98 R HA 0.254 4.595 4.340 0.001 0.000 0.258 98 R C 0.628 177.015 176.300 0.146 0.000 1.055 98 R CA -0.929 55.232 56.100 0.102 0.000 1.065 98 R CB 1.568 31.907 30.300 0.065 0.000 1.172 98 R HN 0.992 nan 8.270 nan 0.000 0.510 99 Q N 0.863 120.712 119.800 0.082 0.000 2.170 99 Q HA -0.189 4.152 4.340 0.001 0.000 0.203 99 Q C 1.646 177.681 176.000 0.058 0.000 0.976 99 Q CA 1.630 57.477 55.803 0.073 0.000 0.858 99 Q CB 0.298 29.059 28.738 0.038 0.000 0.907 99 Q HN 0.448 nan 8.270 nan 0.000 0.433 100 Q N -0.155 119.671 119.800 0.044 0.000 2.364 100 Q HA -0.152 4.189 4.340 0.001 0.000 0.207 100 Q C 0.480 176.492 176.000 0.019 0.000 0.970 100 Q CA 1.097 56.913 55.803 0.023 0.000 0.888 100 Q CB -0.024 28.720 28.738 0.010 0.000 0.951 100 Q HN 0.501 nan 8.270 nan 0.000 0.469 101 D N 0.974 121.401 120.400 0.045 0.000 2.348 101 D HA 0.120 4.760 4.640 0.001 0.000 0.211 101 D C 0.694 176.998 176.300 0.007 0.000 0.998 101 D CA 0.092 54.104 54.000 0.021 0.000 0.873 101 D CB 0.311 41.143 40.800 0.053 0.000 0.925 101 D HN 0.233 nan 8.370 nan 0.000 0.524 102 L N 1.387 122.627 121.223 0.029 0.000 2.439 102 L HA 0.178 4.519 4.340 0.001 0.000 0.269 102 L C 0.661 177.536 176.870 0.008 0.000 1.179 102 L CA -0.459 54.387 54.840 0.010 0.000 0.828 102 L CB 0.913 42.991 42.059 0.030 0.000 1.106 102 L HN -0.159 nan 8.230 nan 0.000 0.467 103 V N -1.728 118.194 119.914 0.013 0.000 3.181 103 V HA 0.474 4.594 4.120 0.001 0.000 0.314 103 V C -0.400 175.721 176.094 0.045 0.000 1.173 103 V CA -1.117 61.202 62.300 0.033 0.000 1.052 103 V CB 1.706 33.563 31.823 0.056 0.000 1.123 103 V HN 0.633 nan 8.190 nan 0.000 0.454 104 D N 0.125 120.566 120.400 0.068 0.000 2.506 104 D HA 0.126 4.766 4.640 0.001 0.000 0.234 104 D C -0.290 176.107 176.300 0.163 0.000 1.143 104 D CA 1.149 55.208 54.000 0.098 0.000 0.871 104 D CB -0.246 40.619 40.800 0.109 0.000 1.190 104 D HN 0.935 nan 8.370 nan 0.000 0.459 105 Y N 1.777 122.088 120.300 0.019 0.000 2.903 105 Y HA -0.269 4.281 4.550 0.001 0.000 0.119 105 Y C -0.798 175.110 175.900 0.012 0.000 1.882 105 Y CA 0.664 58.774 58.100 0.017 0.000 1.019 105 Y CB -1.272 37.200 38.460 0.021 0.000 1.646 105 Y HN 0.285 nan 8.280 nan 0.000 0.329 106 S N 5.798 121.297 115.700 -0.336 0.000 2.300 106 S HA 0.217 4.687 4.470 0.001 0.000 0.172 106 S C -1.348 173.097 174.600 -0.259 0.000 1.484 106 S CA -0.159 57.907 58.200 -0.224 0.000 1.265 106 S CB 1.017 64.159 63.200 -0.098 0.000 1.313 106 S HN 0.516 nan 8.310 nan 0.000 0.387 107 P HA -0.064 nan 4.420 nan 0.000 0.220 107 P C 1.162 178.387 177.300 -0.126 0.000 1.148 107 P CA 0.919 63.842 63.100 -0.295 0.000 0.803 107 P CB 0.157 31.652 31.700 -0.343 0.000 0.782 108 V N 0.703 120.574 119.914 -0.073 0.000 2.521 108 V HA -0.097 4.024 4.120 0.001 0.000 0.239 108 V C 2.924 179.088 176.094 0.118 0.000 1.053 108 V CA 1.809 64.130 62.300 0.035 0.000 1.073 108 V CB -1.527 30.325 31.823 0.049 0.000 0.746 108 V HN 0.195 nan 8.190 nan 0.000 0.476 109 S N 2.053 117.792 115.700 0.066 0.000 2.402 109 S HA -0.306 4.164 4.470 0.001 0.000 0.233 109 S C 1.846 176.557 174.600 0.185 0.000 1.030 109 S CA 1.878 60.152 58.200 0.124 0.000 1.003 109 S CB -0.718 62.408 63.200 -0.123 0.000 0.813 109 S HN 0.867 nan 8.310 nan 0.000 0.477 110 E N 1.792 122.026 120.200 0.057 0.000 2.204 110 E HA -0.160 4.190 4.350 0.001 0.000 0.195 110 E C 1.633 178.229 176.600 -0.006 0.000 0.990 110 E CA 0.982 57.407 56.400 0.041 0.000 0.821 110 E CB -0.364 29.322 29.700 -0.023 0.000 0.750 110 E HN 0.572 nan 8.360 nan 0.000 0.477 111 K N -0.161 120.188 120.400 -0.085 0.000 2.487 111 K HA 0.019 4.339 4.320 0.001 0.000 0.192 111 K C 0.098 176.370 176.600 -0.546 0.000 1.027 111 K CA 0.489 56.597 56.287 -0.298 0.000 1.054 111 K CB 0.095 32.361 32.500 -0.390 0.000 0.824 111 K HN 0.317 nan 8.250 nan 0.000 0.510 112 H N -0.329 118.774 119.070 0.055 0.000 2.505 112 H HA 0.190 4.747 4.556 0.001 0.000 0.260 112 H C 0.838 176.075 175.328 -0.153 0.000 1.168 112 H CA -0.227 55.818 56.048 -0.005 0.000 0.945 112 H CB 0.291 30.084 29.762 0.052 0.000 1.800 112 H HN -0.042 nan 8.280 nan 0.000 0.586 113 L N -0.222 120.953 121.223 -0.081 0.000 2.141 113 L HA -0.096 4.245 4.340 0.001 0.000 0.209 113 L C 2.357 179.132 176.870 -0.158 0.000 1.094 113 L CA 1.241 55.972 54.840 -0.181 0.000 0.763 113 L CB -0.082 41.941 42.059 -0.059 0.000 0.908 113 L HN 0.494 nan 8.230 nan 0.000 0.437 114 A N 0.167 122.945 122.820 -0.070 0.000 1.903 114 A HA -0.135 4.185 4.320 0.001 0.000 0.213 114 A C 1.781 179.390 177.584 0.042 0.000 1.185 114 A CA 1.410 53.434 52.037 -0.020 0.000 0.628 114 A CB -0.175 18.818 19.000 -0.012 0.000 0.830 114 A HN 0.534 nan 8.150 nan 0.000 0.446 115 D N -1.790 118.643 120.400 0.055 0.000 2.407 115 D HA 0.337 4.977 4.640 0.001 0.000 0.208 115 D C 1.027 177.310 176.300 -0.029 0.000 1.083 115 D CA 0.790 54.858 54.000 0.114 0.000 0.844 115 D CB -0.509 40.362 40.800 0.118 0.000 0.967 115 D HN 0.807 nan 8.370 nan 0.000 0.506 116 G N 0.454 109.115 108.800 -0.231 0.000 2.877 116 G HA2 -0.150 3.811 3.960 0.001 0.000 0.279 116 G HA3 -0.150 3.811 3.960 0.001 0.000 0.279 116 G C -0.690 174.066 174.900 -0.239 0.000 1.431 116 G CA -0.003 44.776 45.100 -0.534 0.000 0.883 116 G HN 0.270 nan 8.290 nan 0.000 0.547 117 M N 0.502 120.027 119.600 -0.125 0.000 2.484 117 M HA 0.463 4.943 4.480 0.001 0.000 0.289 117 M C 0.667 176.919 176.300 -0.080 0.000 1.206 117 M CA -0.327 54.915 55.300 -0.097 0.000 0.892 117 M CB 2.649 35.248 32.600 -0.003 0.000 1.712 117 M HN 1.146 nan 8.290 nan 0.000 0.462 118 T N -1.059 113.450 114.554 -0.076 0.000 2.813 118 T HA 0.241 4.591 4.350 0.001 0.000 0.297 118 T C 1.073 175.761 174.700 -0.021 0.000 1.036 118 T CA -0.781 61.299 62.100 -0.033 0.000 1.044 118 T CB 0.822 69.684 68.868 -0.010 0.000 0.993 118 T HN 0.421 nan 8.240 nan 0.000 0.535 119 V N 2.659 122.573 119.914 -0.000 0.000 2.392 119 V HA -0.062 4.058 4.120 0.001 0.000 0.249 119 V C 2.838 178.934 176.094 0.003 0.000 1.059 119 V CA 2.436 64.734 62.300 -0.003 0.000 1.051 119 V CB -1.483 30.350 31.823 0.016 0.000 0.658 119 V HN 1.129 nan 8.190 nan 0.000 0.455 120 G N -0.999 107.841 108.800 0.067 0.000 2.408 120 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 120 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 120 G C 1.481 176.441 174.900 0.101 0.000 1.150 120 G CA 0.692 45.899 45.100 0.177 0.000 0.776 120 G HN 0.560 nan 8.290 nan 0.000 0.542 121 E N -0.134 120.076 120.200 0.016 0.000 2.107 121 E HA 0.032 4.382 4.350 0.001 0.000 0.191 121 E C 2.559 179.086 176.600 -0.123 0.000 0.982 121 E CA 0.204 56.582 56.400 -0.036 0.000 0.809 121 E CB -0.117 29.540 29.700 -0.071 0.000 0.756 121 E HN 0.363 nan 8.360 nan 0.000 0.459 122 L N 0.330 121.474 121.223 -0.132 0.000 2.017 122 L HA -0.243 4.097 4.340 0.001 0.000 0.208 122 L C 2.630 179.318 176.870 -0.303 0.000 1.073 122 L CA 0.860 55.593 54.840 -0.179 0.000 0.745 122 L CB -0.394 41.581 42.059 -0.140 0.000 0.894 122 L HN 0.312 nan 8.230 nan 0.000 0.432 123 c N -0.427 117.907 118.600 -0.444 0.000 2.413 123 c HA -0.173 4.397 4.570 0.001 0.000 0.277 123 c C 3.100 176.558 174.090 -1.053 0.000 1.265 123 c CA 0.821 56.637 56.329 -0.855 0.000 1.752 123 c CB -0.965 40.682 42.510 -1.437 0.000 1.998 123 c HN 0.624 nan 8.230 nan 0.000 0.489 124 A N 0.004 122.332 122.820 -0.820 0.000 1.929 124 A HA 0.157 4.477 4.320 0.001 0.000 0.216 124 A C 2.320 179.730 177.584 -0.290 0.000 1.176 124 A CA 1.830 53.530 52.037 -0.562 0.000 0.628 124 A CB -0.722 18.247 19.000 -0.051 0.000 0.816 124 A HN 0.556 nan 8.150 nan 0.000 0.444 125 A N 0.078 122.765 122.820 -0.222 0.000 1.873 125 A HA 0.186 4.507 4.320 0.001 0.000 0.215 125 A C 2.529 180.028 177.584 -0.142 0.000 1.186 125 A CA 2.037 53.998 52.037 -0.128 0.000 0.616 125 A CB -1.122 17.821 19.000 -0.095 0.000 0.823 125 A HN 1.021 nan 8.150 nan 0.000 0.442 126 A N -0.174 122.518 122.820 -0.214 0.000 1.883 126 A HA -0.115 4.205 4.320 0.001 0.000 0.217 126 A C 2.143 179.606 177.584 -0.202 0.000 1.186 126 A CA 1.766 53.682 52.037 -0.201 0.000 0.624 126 A CB -0.600 18.241 19.000 -0.266 0.000 0.822 126 A HN 0.508 nan 8.150 nan 0.000 0.444 127 I N -0.481 119.924 120.570 -0.276 0.000 2.400 127 I HA -0.139 4.032 4.170 0.001 0.000 0.248 127 I C 2.722 178.792 176.117 -0.079 0.000 1.109 127 I CA 1.660 62.855 61.300 -0.176 0.000 1.425 127 I CB -0.334 37.562 38.000 -0.173 0.000 1.094 127 I HN 0.516 nan 8.210 nan 0.000 0.425 128 T N -1.971 112.538 114.554 -0.074 0.000 3.043 128 T HA 0.053 4.404 4.350 0.001 0.000 0.263 128 T C 1.496 176.204 174.700 0.013 0.000 1.094 128 T CA 0.615 62.715 62.100 -0.000 0.000 1.127 128 T CB 0.218 69.106 68.868 0.033 0.000 0.905 128 T HN 0.060 nan 8.240 nan 0.000 0.490 129 M N 0.172 119.776 119.600 0.007 0.000 2.279 129 M HA 0.422 4.902 4.480 0.001 0.000 0.306 129 M C 1.048 177.423 176.300 0.124 0.000 0.965 129 M CA 0.067 55.405 55.300 0.064 0.000 1.038 129 M CB 0.096 32.725 32.600 0.049 0.000 1.636 129 M HN 0.375 nan 8.290 nan 0.000 0.574 130 S N 2.340 118.075 115.700 0.058 0.000 3.561 130 S HA -0.131 4.339 4.470 0.001 0.000 0.318 130 S C 0.099 174.799 174.600 0.167 0.000 1.181 130 S CA 0.518 58.764 58.200 0.077 0.000 0.916 130 S CB -1.233 62.001 63.200 0.056 0.000 0.966 130 S HN 0.658 nan 8.310 nan 0.000 0.550 131 D N 0.924 121.379 120.400 0.092 0.000 2.434 131 D HA 0.086 4.726 4.640 0.001 0.000 0.252 131 D C 1.230 177.564 176.300 0.056 0.000 1.185 131 D CA 0.004 54.040 54.000 0.060 0.000 0.886 131 D CB 0.351 41.130 40.800 -0.035 0.000 1.148 131 D HN 0.387 nan 8.370 nan 0.000 0.483 132 N N 1.984 120.749 118.700 0.108 0.000 2.300 132 N HA -0.092 4.649 4.740 0.001 0.000 0.179 132 N C 1.588 177.136 175.510 0.063 0.000 1.016 132 N CA 0.456 53.573 53.050 0.111 0.000 0.876 132 N CB 0.074 38.654 38.487 0.156 0.000 0.979 132 N HN 0.290 nan 8.380 nan 0.000 0.432 133 S N 1.014 116.713 115.700 -0.002 0.000 2.387 133 S HA 0.020 4.490 4.470 0.001 0.000 0.226 133 S C 2.135 176.667 174.600 -0.114 0.000 1.026 133 S CA 0.871 59.036 58.200 -0.059 0.000 0.972 133 S CB -0.176 62.946 63.200 -0.131 0.000 0.814 133 S HN 0.449 nan 8.310 nan 0.000 0.477 134 A N 2.007 124.747 122.820 -0.134 0.000 1.883 134 A HA 0.024 4.345 4.320 0.001 0.000 0.217 134 A C 2.395 179.917 177.584 -0.102 0.000 1.186 134 A CA 1.835 53.776 52.037 -0.159 0.000 0.624 134 A CB -1.270 17.639 19.000 -0.151 0.000 0.822 134 A HN 0.515 nan 8.150 nan 0.000 0.444 135 A N 0.160 122.945 122.820 -0.057 0.000 1.883 135 A HA -0.257 4.064 4.320 0.001 0.000 0.217 135 A C 1.973 179.614 177.584 0.094 0.000 1.186 135 A CA 2.116 54.143 52.037 -0.017 0.000 0.624 135 A CB -0.769 18.252 19.000 0.034 0.000 0.822 135 A HN 0.548 nan 8.150 nan 0.000 0.444 136 N N 0.092 118.891 118.700 0.164 0.000 2.069 136 N HA -0.115 4.626 4.740 0.001 0.000 0.191 136 N C 1.660 177.327 175.510 0.261 0.000 1.031 136 N CA 1.487 54.730 53.050 0.322 0.000 0.852 136 N CB -0.577 38.086 38.487 0.294 0.000 1.018 136 N HN 0.508 nan 8.380 nan 0.000 0.423 137 L N -0.011 121.259 121.223 0.077 0.000 2.042 137 L HA -0.174 4.166 4.340 0.001 0.000 0.210 137 L C 1.965 178.869 176.870 0.057 0.000 1.076 137 L CA 0.693 55.556 54.840 0.037 0.000 0.749 137 L CB -0.335 41.665 42.059 -0.099 0.000 0.893 137 L HN 0.171 nan 8.230 nan 0.000 0.432 138 L N -0.808 120.420 121.223 0.010 0.000 2.056 138 L HA -0.202 4.138 4.340 0.001 0.000 0.207 138 L C 2.376 179.246 176.870 0.001 0.000 1.078 138 L CA 1.494 56.322 54.840 -0.020 0.000 0.749 138 L CB -1.101 40.907 42.059 -0.086 0.000 0.901 138 L HN 0.185 nan 8.230 nan 0.000 0.433 139 L N -0.102 121.133 121.223 0.020 0.000 2.079 139 L HA -0.161 4.180 4.340 0.001 0.000 0.210 139 L C 2.509 179.372 176.870 -0.011 0.000 1.081 139 L CA 2.036 56.833 54.840 -0.072 0.000 0.752 139 L CB -0.976 40.919 42.059 -0.273 0.000 0.896 139 L HN 0.238 nan 8.230 nan 0.000 0.433 140 A N -1.380 121.570 122.820 0.216 0.000 1.933 140 A HA -0.220 4.101 4.320 0.001 0.000 0.218 140 A C 2.319 179.982 177.584 0.133 0.000 1.175 140 A CA 2.130 54.344 52.037 0.295 0.000 0.628 140 A CB -1.268 17.913 19.000 0.301 0.000 0.814 140 A HN 0.614 nan 8.150 nan 0.000 0.444 141 T N -1.854 112.745 114.554 0.076 0.000 3.007 141 T HA -0.041 4.309 4.350 0.001 0.000 0.270 141 T C 1.216 175.925 174.700 0.016 0.000 1.107 141 T CA 1.503 63.627 62.100 0.040 0.000 1.118 141 T CB -0.684 68.196 68.868 0.020 0.000 0.889 141 T HN 0.856 nan 8.240 nan 0.000 0.506 142 V N -2.712 117.199 119.914 -0.006 0.000 3.376 142 V HA 0.739 4.860 4.120 0.001 0.000 0.313 142 V C 1.347 177.440 176.094 -0.002 0.000 1.393 142 V CA -0.159 62.124 62.300 -0.028 0.000 1.125 142 V CB -0.777 30.994 31.823 -0.088 0.000 1.037 142 V HN 0.709 nan 8.190 nan 0.000 0.440 143 G N -0.728 108.088 108.800 0.026 0.000 2.164 143 G HA2 0.262 4.222 3.960 0.001 0.000 0.212 143 G HA3 0.262 4.222 3.960 0.001 0.000 0.212 143 G C 0.983 175.899 174.900 0.027 0.000 1.031 143 G CA 0.035 45.163 45.100 0.046 0.000 0.730 143 G HN 2.298 nan 8.290 nan 0.000 0.501 144 G N -1.008 107.775 108.800 -0.029 0.000 2.877 144 G HA2 0.061 4.021 3.960 0.001 0.000 0.279 144 G HA3 0.061 4.021 3.960 0.001 0.000 0.279 144 G C -0.707 174.014 174.900 -0.297 0.000 1.431 144 G CA 0.192 45.150 45.100 -0.237 0.000 0.883 144 G HN 0.634 nan 8.290 nan 0.000 0.547 145 P HA -0.123 nan 4.420 nan 0.000 0.217 145 P C 2.331 179.548 177.300 -0.138 0.000 1.151 145 P CA 3.215 66.120 63.100 -0.326 0.000 0.849 145 P CB -0.144 31.327 31.700 -0.381 0.000 0.787 146 A N -0.105 122.670 122.820 -0.074 0.000 1.859 146 A HA -0.192 4.129 4.320 0.001 0.000 0.217 146 A C 2.552 180.136 177.584 0.000 0.000 1.198 146 A CA 2.487 54.513 52.037 -0.017 0.000 0.629 146 A CB -1.976 17.032 19.000 0.014 0.000 0.830 146 A HN 0.298 nan 8.150 nan 0.000 0.446 147 G N -0.928 107.873 108.800 0.002 0.000 2.422 147 G HA2 -0.088 3.873 3.960 0.001 0.000 0.218 147 G HA3 -0.088 3.873 3.960 0.001 0.000 0.218 147 G C 1.477 176.412 174.900 0.058 0.000 1.146 147 G CA 1.169 46.287 45.100 0.030 0.000 0.769 147 G HN 0.462 nan 8.290 nan 0.000 0.547 148 L N 0.808 122.043 121.223 0.020 0.000 2.156 148 L HA 0.081 4.422 4.340 0.001 0.000 0.208 148 L C 2.875 179.822 176.870 0.129 0.000 1.095 148 L CA 2.065 56.952 54.840 0.079 0.000 0.770 148 L CB -0.645 41.439 42.059 0.041 0.000 0.914 148 L HN 0.144 nan 8.230 nan 0.000 0.439 149 T N -0.458 114.130 114.554 0.056 0.000 2.821 149 T HA -0.093 4.258 4.350 0.001 0.000 0.267 149 T C 1.919 176.653 174.700 0.058 0.000 1.046 149 T CA 1.101 63.228 62.100 0.046 0.000 1.139 149 T CB -0.368 68.503 68.868 0.005 0.000 0.871 149 T HN 0.485 nan 8.240 nan 0.000 0.454 150 A N 1.301 124.162 122.820 0.068 0.000 1.902 150 A HA -0.062 4.259 4.320 0.001 0.000 0.217 150 A C 1.995 179.632 177.584 0.088 0.000 1.181 150 A CA 1.465 53.541 52.037 0.065 0.000 0.623 150 A CB -1.005 18.035 19.000 0.067 0.000 0.818 150 A HN 0.501 nan 8.150 nan 0.000 0.443 151 F N 0.409 120.363 119.950 0.007 0.000 2.095 151 F HA -0.178 4.349 4.527 0.001 0.000 0.298 151 F C 1.748 177.558 175.800 0.016 0.000 1.104 151 F CA 1.715 59.723 58.000 0.014 0.000 1.232 151 F CB -0.384 38.626 39.000 0.017 0.000 0.987 151 F HN 0.137 nan 8.300 nan 0.000 0.475 152 L N 0.728 121.913 121.223 -0.062 0.000 2.012 152 L HA -0.205 4.136 4.340 0.001 0.000 0.210 152 L C 2.591 179.368 176.870 -0.155 0.000 1.073 152 L CA 1.562 56.314 54.840 -0.147 0.000 0.748 152 L CB -1.198 40.869 42.059 0.013 0.000 0.891 152 L HN 0.060 nan 8.230 nan 0.000 0.431 153 R N -0.289 120.161 120.500 -0.084 0.000 2.091 153 R HA -0.154 4.187 4.340 0.001 0.000 0.238 153 R C 2.133 178.376 176.300 -0.096 0.000 1.136 153 R CA 1.217 57.278 56.100 -0.066 0.000 0.959 153 R CB -0.783 29.499 30.300 -0.030 0.000 0.856 153 R HN 0.564 nan 8.270 nan 0.000 0.437 154 Q N -0.288 119.435 119.800 -0.127 0.000 2.291 154 Q HA -0.032 4.309 4.340 0.001 0.000 0.205 154 Q C 1.580 177.463 176.000 -0.194 0.000 0.970 154 Q CA 0.719 56.442 55.803 -0.132 0.000 0.876 154 Q CB 0.002 28.679 28.738 -0.101 0.000 0.935 154 Q HN 0.181 nan 8.270 nan 0.000 0.455 155 I N -0.824 119.565 120.570 -0.302 0.000 3.793 155 I HA 0.095 4.265 4.170 0.001 0.000 0.315 155 I C 0.835 176.858 176.117 -0.156 0.000 1.275 155 I CA 0.495 61.625 61.300 -0.283 0.000 1.214 155 I CB 0.483 38.182 38.000 -0.500 0.000 1.018 155 I HN 0.292 nan 8.210 nan 0.000 0.439 156 G N 0.902 109.629 108.800 -0.122 0.000 2.132 156 G HA2 -0.248 3.712 3.960 0.001 0.000 0.234 156 G HA3 -0.248 3.712 3.960 0.001 0.000 0.234 156 G C 0.049 174.916 174.900 -0.056 0.000 0.989 156 G CA 0.211 45.268 45.100 -0.072 0.000 0.676 156 G HN 0.401 nan 8.290 nan 0.000 0.522 157 D N 0.080 120.440 120.400 -0.067 0.000 2.373 157 D HA 0.386 5.027 4.640 0.001 0.000 0.227 157 D C 0.876 177.161 176.300 -0.026 0.000 1.091 157 D CA -0.659 53.321 54.000 -0.033 0.000 0.840 157 D CB 0.016 40.803 40.800 -0.021 0.000 1.060 157 D HN 0.255 nan 8.370 nan 0.000 0.502 158 N N 2.112 120.802 118.700 -0.016 0.000 2.235 158 N HA 0.076 4.816 4.740 0.001 0.000 0.209 158 N C 0.918 176.423 175.510 -0.008 0.000 1.122 158 N CA -0.139 52.903 53.050 -0.014 0.000 0.845 158 N CB 1.195 39.673 38.487 -0.015 0.000 1.004 158 N HN 0.175 nan 8.380 nan 0.000 0.499 159 V N -0.822 119.092 119.914 -0.001 0.000 2.854 159 V HA 0.069 4.189 4.120 0.001 0.000 0.236 159 V C 0.846 176.943 176.094 0.005 0.000 1.157 159 V CA 0.541 62.843 62.300 0.003 0.000 1.187 159 V CB -0.035 31.796 31.823 0.014 0.000 0.949 159 V HN 0.091 nan 8.190 nan 0.000 0.488 160 T N 4.172 118.737 114.554 0.018 0.000 2.934 160 T HA 0.321 4.672 4.350 0.001 0.000 0.306 160 T C -0.019 174.686 174.700 0.008 0.000 1.042 160 T CA 0.351 62.465 62.100 0.023 0.000 1.145 160 T CB -0.040 68.859 68.868 0.052 0.000 0.982 160 T HN 0.653 nan 8.240 nan 0.000 0.544 161 R N 2.035 122.529 120.500 -0.010 0.000 2.522 161 R HA 0.576 4.917 4.340 0.001 0.000 0.283 161 R C -1.722 174.541 176.300 -0.061 0.000 1.074 161 R CA -0.991 55.093 56.100 -0.027 0.000 0.925 161 R CB 1.176 31.458 30.300 -0.031 0.000 1.205 161 R HN 0.413 nan 8.270 nan 0.000 0.436 162 L N 3.047 124.219 121.223 -0.085 0.000 2.307 162 L HA 0.382 4.722 4.340 0.001 0.000 0.284 162 L C -0.756 176.013 176.870 -0.168 0.000 1.023 162 L CA -0.136 54.598 54.840 -0.176 0.000 0.810 162 L CB 1.889 43.804 42.059 -0.240 0.000 1.231 162 L HN 0.926 nan 8.230 nan 0.000 0.423 163 D N 1.999 122.292 120.400 -0.179 0.000 2.486 163 D HA 0.218 4.858 4.640 0.001 0.000 0.243 163 D C -0.153 176.075 176.300 -0.120 0.000 1.146 163 D CA -0.061 53.865 54.000 -0.123 0.000 0.821 163 D CB 0.890 41.647 40.800 -0.071 0.000 1.201 163 D HN 0.352 nan 8.370 nan 0.000 0.525 164 R N -0.653 119.740 120.500 -0.177 0.000 2.912 164 R HA 0.600 4.940 4.340 0.001 0.000 0.262 164 R C -1.244 174.927 176.300 -0.214 0.000 1.057 164 R CA -0.862 55.192 56.100 -0.076 0.000 0.981 164 R CB 1.491 31.792 30.300 0.003 0.000 1.201 164 R HN -0.093 nan 8.270 nan 0.000 0.484 165 W N 0.428 121.669 121.300 -0.099 0.000 2.390 165 W HA 0.317 4.978 4.660 0.001 0.000 0.362 165 W C 0.214 176.698 176.519 -0.060 0.000 1.206 165 W CA -0.450 56.850 57.345 -0.075 0.000 1.355 165 W CB 0.499 29.942 29.460 -0.028 0.000 1.278 165 W HN 0.145 nan 8.180 nan 0.000 0.653 166 E N 0.688 121.035 120.200 0.245 0.000 2.360 166 E HA 0.049 4.399 4.350 0.001 0.000 0.269 166 E C 0.869 177.564 176.600 0.158 0.000 1.022 166 E CA 0.397 56.903 56.400 0.176 0.000 0.887 166 E CB 0.905 30.726 29.700 0.201 0.000 0.990 166 E HN 0.508 nan 8.360 nan 0.000 0.426 167 T N -0.811 113.808 114.554 0.108 0.000 3.105 167 T HA 0.103 4.454 4.350 0.001 0.000 0.253 167 T C 0.930 175.665 174.700 0.058 0.000 1.047 167 T CA -0.201 61.952 62.100 0.087 0.000 0.944 167 T CB 0.108 69.022 68.868 0.078 0.000 1.016 167 T HN 0.192 nan 8.240 nan 0.000 0.544 168 E N 1.968 122.205 120.200 0.062 0.000 2.204 168 E HA -0.016 4.335 4.350 0.001 0.000 0.195 168 E C 1.798 178.401 176.600 0.005 0.000 0.990 168 E CA 0.915 57.338 56.400 0.038 0.000 0.821 168 E CB -0.689 29.042 29.700 0.052 0.000 0.750 168 E HN 0.692 nan 8.360 nan 0.000 0.477 169 L N -1.132 120.076 121.223 -0.026 0.000 2.456 169 L HA -0.008 4.333 4.340 0.001 0.000 0.224 169 L C 0.766 177.602 176.870 -0.057 0.000 1.148 169 L CA 1.460 56.244 54.840 -0.093 0.000 0.825 169 L CB -0.481 41.428 42.059 -0.249 0.000 0.937 169 L HN -0.079 nan 8.230 nan 0.000 0.450 170 N N -0.053 118.640 118.700 -0.011 0.000 2.322 170 N HA -0.043 4.697 4.740 0.001 0.000 0.194 170 N C 1.504 177.017 175.510 0.006 0.000 1.126 170 N CA 0.249 53.303 53.050 0.007 0.000 0.845 170 N CB -0.069 38.435 38.487 0.030 0.000 0.976 170 N HN 0.542 nan 8.380 nan 0.000 0.475 171 E N 1.678 121.877 120.200 -0.002 0.000 2.171 171 E HA -0.179 4.171 4.350 0.001 0.000 0.197 171 E C 0.442 177.040 176.600 -0.004 0.000 0.997 171 E CA 0.708 57.108 56.400 -0.001 0.000 0.810 171 E CB -0.080 29.618 29.700 -0.003 0.000 0.738 171 E HN 0.321 nan 8.360 nan 0.000 0.467 172 A N 0.186 122.999 122.820 -0.011 0.000 2.511 172 A HA -0.205 4.115 4.320 0.001 0.000 0.297 172 A C 0.102 177.677 177.584 -0.016 0.000 1.476 172 A CA 0.593 52.622 52.037 -0.013 0.000 0.757 172 A CB -2.272 16.731 19.000 0.004 0.000 1.072 172 A HN 0.341 nan 8.150 nan 0.000 0.413 173 L N 0.628 121.838 121.223 -0.021 0.000 2.439 173 L HA 0.336 4.676 4.340 0.001 0.000 0.269 173 L C -1.519 175.331 176.870 -0.033 0.000 1.179 173 L CA -1.723 53.104 54.840 -0.022 0.000 0.828 173 L CB 0.346 42.392 42.059 -0.021 0.000 1.106 173 L HN 0.259 nan 8.230 nan 0.000 0.467 174 P HA 0.056 nan 4.420 nan 0.000 0.266 174 P C 0.693 177.964 177.300 -0.049 0.000 1.215 174 P CA 0.466 63.540 63.100 -0.042 0.000 0.763 174 P CB 0.747 32.428 31.700 -0.032 0.000 0.806 175 G N 2.164 110.923 108.800 -0.067 0.000 2.184 175 G HA2 -0.245 3.716 3.960 0.001 0.000 0.264 175 G HA3 -0.245 3.716 3.960 0.001 0.000 0.264 175 G C 0.045 174.908 174.900 -0.061 0.000 0.975 175 G CA 0.138 45.197 45.100 -0.068 0.000 0.642 175 G HN 0.666 nan 8.290 nan 0.000 0.536 176 D N 0.362 120.727 120.400 -0.058 0.000 2.295 176 D HA 0.658 5.299 4.640 0.001 0.000 0.248 176 D C 1.182 177.445 176.300 -0.063 0.000 1.154 176 D CA 0.373 54.342 54.000 -0.052 0.000 0.857 176 D CB 0.887 41.661 40.800 -0.042 0.000 1.117 176 D HN 0.406 nan 8.370 nan 0.000 0.468 177 A N 4.827 127.613 122.820 -0.058 0.000 2.251 177 A HA 0.069 4.390 4.320 0.001 0.000 0.209 177 A C 1.039 178.587 177.584 -0.060 0.000 1.187 177 A CA 0.015 52.014 52.037 -0.063 0.000 0.823 177 A CB -0.082 18.885 19.000 -0.055 0.000 0.846 177 A HN 0.550 nan 8.150 nan 0.000 0.486 178 R N 1.210 121.676 120.500 -0.057 0.000 2.590 178 R HA 0.198 4.538 4.340 0.001 0.000 0.274 178 R C -0.471 175.782 176.300 -0.079 0.000 1.061 178 R CA 0.252 56.315 56.100 -0.062 0.000 1.081 178 R CB 0.091 30.358 30.300 -0.054 0.000 0.984 178 R HN 0.338 nan 8.270 nan 0.000 0.448 179 D N 0.042 120.383 120.400 -0.098 0.000 2.772 179 D HA -0.159 4.482 4.640 0.001 0.000 0.233 179 D C -0.217 176.024 176.300 -0.099 0.000 1.143 179 D CA 1.735 55.659 54.000 -0.126 0.000 0.700 179 D CB -1.141 39.565 40.800 -0.157 0.000 1.076 179 D HN 0.757 nan 8.370 nan 0.000 0.430 180 T N -3.909 110.597 114.554 -0.081 0.000 2.926 180 T HA 0.733 5.084 4.350 0.001 0.000 0.289 180 T C -0.009 174.658 174.700 -0.055 0.000 1.054 180 T CA -0.504 61.545 62.100 -0.085 0.000 1.015 180 T CB 3.484 72.302 68.868 -0.085 0.000 1.167 180 T HN 0.020 nan 8.240 nan 0.000 0.526 181 T N 0.134 114.652 114.554 -0.060 0.000 2.787 181 T HA 0.734 5.084 4.350 0.001 0.000 0.297 181 T C -1.007 173.733 174.700 0.067 0.000 1.221 181 T CA -0.365 61.742 62.100 0.012 0.000 1.006 181 T CB 1.540 70.448 68.868 0.066 0.000 1.328 181 T HN 1.204 nan 8.240 nan 0.000 0.509 182 T N 0.582 115.215 114.554 0.131 0.000 2.888 182 T HA 0.560 4.911 4.350 0.001 0.000 0.284 182 T C -2.146 172.701 174.700 0.244 0.000 1.017 182 T CA -1.844 60.380 62.100 0.207 0.000 1.022 182 T CB 1.380 70.330 68.868 0.136 0.000 1.013 182 T HN 0.245 nan 8.240 nan 0.000 0.465 183 P HA -0.115 nan 4.420 nan 0.000 0.216 183 P C 1.565 178.942 177.300 0.127 0.000 1.154 183 P CA 1.718 64.936 63.100 0.198 0.000 0.865 183 P CB -0.166 31.603 31.700 0.115 0.000 0.789 184 A N -1.465 121.419 122.820 0.107 0.000 1.970 184 A HA -0.071 4.250 4.320 0.001 0.000 0.216 184 A C 2.343 179.968 177.584 0.068 0.000 1.170 184 A CA 1.645 53.724 52.037 0.071 0.000 0.645 184 A CB -1.239 17.794 19.000 0.054 0.000 0.816 184 A HN 0.090 nan 8.150 nan 0.000 0.447 185 S N -0.861 114.887 115.700 0.081 0.000 2.371 185 S HA -0.119 4.351 4.470 0.001 0.000 0.224 185 S C 1.998 176.651 174.600 0.088 0.000 1.029 185 S CA 1.698 59.940 58.200 0.070 0.000 0.978 185 S CB -0.249 62.989 63.200 0.063 0.000 0.833 185 S HN 0.592 nan 8.310 nan 0.000 0.466 186 M N 2.516 122.194 119.600 0.129 0.000 2.099 186 M HA 0.071 4.551 4.480 0.001 0.000 0.262 186 M C 1.949 178.311 176.300 0.103 0.000 1.067 186 M CA 1.600 56.987 55.300 0.146 0.000 1.124 186 M CB -1.006 31.738 32.600 0.239 0.000 1.353 186 M HN 0.206 nan 8.290 nan 0.000 0.410 187 A N 0.035 122.905 122.820 0.083 0.000 1.865 187 A HA -0.009 4.311 4.320 0.001 0.000 0.217 187 A C 2.433 180.046 177.584 0.048 0.000 1.191 187 A CA 2.503 54.574 52.037 0.056 0.000 0.623 187 A CB -1.621 17.403 19.000 0.040 0.000 0.826 187 A HN 0.688 nan 8.150 nan 0.000 0.444 188 A N -1.334 121.512 122.820 0.042 0.000 1.908 188 A HA -0.111 4.210 4.320 0.001 0.000 0.218 188 A C 2.318 179.921 177.584 0.032 0.000 1.181 188 A CA 2.412 54.466 52.037 0.029 0.000 0.627 188 A CB -1.254 17.759 19.000 0.022 0.000 0.818 188 A HN 0.448 nan 8.150 nan 0.000 0.445 189 T N 0.226 114.807 114.554 0.046 0.000 2.777 189 T HA -0.033 4.317 4.350 0.001 0.000 0.266 189 T C 1.811 176.552 174.700 0.068 0.000 1.040 189 T CA 1.405 63.534 62.100 0.050 0.000 1.141 189 T CB -0.351 68.558 68.868 0.068 0.000 0.868 189 T HN 0.366 nan 8.240 nan 0.000 0.444 190 L N 0.603 121.872 121.223 0.077 0.000 2.046 190 L HA -0.060 4.280 4.340 0.001 0.000 0.208 190 L C 2.804 179.712 176.870 0.063 0.000 1.077 190 L CA 1.295 56.184 54.840 0.081 0.000 0.747 190 L CB -0.476 41.630 42.059 0.079 0.000 0.896 190 L HN 0.153 nan 8.230 nan 0.000 0.432 191 R N 0.730 121.259 120.500 0.047 0.000 2.091 191 R HA -0.212 4.128 4.340 0.001 0.000 0.238 191 R C 2.271 178.589 176.300 0.030 0.000 1.136 191 R CA 1.696 57.815 56.100 0.032 0.000 0.959 191 R CB -0.021 30.291 30.300 0.021 0.000 0.856 191 R HN 0.286 nan 8.270 nan 0.000 0.437 192 K N 0.216 120.634 120.400 0.029 0.000 2.057 192 K HA -0.102 4.219 4.320 0.001 0.000 0.206 192 K C 2.123 178.749 176.600 0.044 0.000 1.050 192 K CA 1.499 57.800 56.287 0.022 0.000 0.935 192 K CB -0.162 32.340 32.500 0.002 0.000 0.715 192 K HN 0.182 nan 8.250 nan 0.000 0.439 193 L N 0.664 121.930 121.223 0.072 0.000 2.083 193 L HA -0.171 4.169 4.340 0.001 0.000 0.209 193 L C 2.136 179.049 176.870 0.073 0.000 1.083 193 L CA 1.072 55.973 54.840 0.102 0.000 0.752 193 L CB -0.329 41.814 42.059 0.139 0.000 0.899 193 L HN 0.154 nan 8.230 nan 0.000 0.433 194 L N -1.206 120.051 121.223 0.056 0.000 2.375 194 L HA -0.017 4.324 4.340 0.001 0.000 0.215 194 L C 2.061 178.943 176.870 0.020 0.000 1.108 194 L CA 1.266 56.130 54.840 0.039 0.000 0.830 194 L CB -0.199 41.883 42.059 0.038 0.000 0.959 194 L HN 0.407 nan 8.230 nan 0.000 0.457 195 T N -5.877 108.688 114.554 0.018 0.000 3.009 195 T HA 0.158 4.508 4.350 0.001 0.000 0.267 195 T C 0.897 175.601 174.700 0.007 0.000 0.942 195 T CA 0.241 62.345 62.100 0.007 0.000 0.883 195 T CB 0.042 68.910 68.868 0.001 0.000 1.192 195 T HN 0.178 nan 8.240 nan 0.000 0.524 196 S N 2.209 117.916 115.700 0.012 0.000 2.546 196 S HA 0.231 4.702 4.470 0.001 0.000 0.265 196 S C 0.979 175.585 174.600 0.010 0.000 1.190 196 S CA -0.454 57.751 58.200 0.007 0.000 1.014 196 S CB 0.129 63.333 63.200 0.006 0.000 1.087 196 S HN 0.589 nan 8.310 nan 0.000 0.525 197 Q N -0.607 119.198 119.800 0.008 0.000 2.211 197 Q HA 0.303 4.644 4.340 0.001 0.000 0.231 197 Q C 1.060 177.072 176.000 0.020 0.000 0.865 197 Q CA -0.351 55.459 55.803 0.012 0.000 0.997 197 Q CB -0.082 28.660 28.738 0.007 0.000 1.101 197 Q HN 0.562 nan 8.270 nan 0.000 0.468 198 R N 0.010 120.527 120.500 0.027 0.000 2.075 198 R HA 0.192 4.532 4.340 0.001 0.000 0.226 198 R C 0.606 176.945 176.300 0.066 0.000 1.114 198 R CA 0.610 56.737 56.100 0.044 0.000 0.972 198 R CB 0.205 30.529 30.300 0.041 0.000 0.869 198 R HN 0.254 nan 8.270 nan 0.000 0.437 199 L N 1.395 122.655 121.223 0.062 0.000 2.334 199 L HA 0.244 4.585 4.340 0.001 0.000 0.275 199 L C 0.583 177.472 176.870 0.032 0.000 1.036 199 L CA -0.762 54.113 54.840 0.060 0.000 0.807 199 L CB 1.757 43.854 42.059 0.064 0.000 1.231 199 L HN 0.196 nan 8.230 nan 0.000 0.438 200 S N 1.080 116.795 115.700 0.024 0.000 2.587 200 S HA 0.125 4.596 4.470 0.001 0.000 0.260 200 S C 1.107 175.707 174.600 -0.001 0.000 1.353 200 S CA 0.018 58.224 58.200 0.010 0.000 0.995 200 S CB 1.039 64.242 63.200 0.005 0.000 0.912 200 S HN 0.717 nan 8.310 nan 0.000 0.568 201 A N 0.701 123.516 122.820 -0.008 0.000 1.930 201 A HA -0.046 4.275 4.320 0.001 0.000 0.217 201 A C 2.336 179.902 177.584 -0.031 0.000 1.175 201 A CA 1.360 53.388 52.037 -0.016 0.000 0.627 201 A CB -0.714 18.277 19.000 -0.015 0.000 0.815 201 A HN 0.879 nan 8.150 nan 0.000 0.443 202 R N -0.373 120.107 120.500 -0.035 0.000 2.073 202 R HA -0.067 4.273 4.340 0.001 0.000 0.229 202 R C 2.362 178.611 176.300 -0.084 0.000 1.120 202 R CA 1.487 57.553 56.100 -0.057 0.000 0.967 202 R CB -0.213 30.057 30.300 -0.050 0.000 0.862 202 R HN 0.510 nan 8.270 nan 0.000 0.436 203 S N 0.845 116.508 115.700 -0.062 0.000 2.368 203 S HA -0.180 4.291 4.470 0.001 0.000 0.225 203 S C 1.798 176.358 174.600 -0.067 0.000 1.030 203 S CA 1.230 59.391 58.200 -0.065 0.000 0.999 203 S CB -0.141 63.052 63.200 -0.011 0.000 0.844 203 S HN 0.420 nan 8.310 nan 0.000 0.459 204 Q N 0.516 120.295 119.800 -0.034 0.000 2.096 204 Q HA -0.090 4.251 4.340 0.001 0.000 0.204 204 Q C 2.445 178.412 176.000 -0.054 0.000 0.982 204 Q CA 1.182 56.972 55.803 -0.021 0.000 0.850 204 Q CB -0.172 28.561 28.738 -0.009 0.000 0.901 204 Q HN 0.456 nan 8.270 nan 0.000 0.422 205 R N 0.138 120.591 120.500 -0.078 0.000 2.090 205 R HA -0.150 4.190 4.340 0.001 0.000 0.228 205 R C 2.313 178.502 176.300 -0.185 0.000 1.110 205 R CA 1.278 57.320 56.100 -0.096 0.000 0.973 205 R CB -0.158 30.094 30.300 -0.080 0.000 0.869 205 R HN 0.184 nan 8.270 nan 0.000 0.440 206 Q N 1.312 120.942 119.800 -0.284 0.000 2.050 206 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 206 Q C 1.944 177.540 176.000 -0.674 0.000 0.980 206 Q CA 1.436 56.883 55.803 -0.594 0.000 0.840 206 Q CB -0.364 27.969 28.738 -0.676 0.000 0.898 206 Q HN 0.204 nan 8.270 nan 0.000 0.424 207 L N -0.049 120.985 121.223 -0.315 0.000 2.012 207 L HA -0.142 4.199 4.340 0.001 0.000 0.210 207 L C 2.216 179.123 176.870 0.061 0.000 1.073 207 L CA 1.750 56.596 54.840 0.009 0.000 0.748 207 L CB -0.853 41.266 42.059 0.100 0.000 0.891 207 L HN 0.496 nan 8.230 nan 0.000 0.431 208 L N -0.876 120.348 121.223 0.001 0.000 1.989 208 L HA -0.304 4.036 4.340 0.001 0.000 0.211 208 L C 2.642 179.541 176.870 0.048 0.000 1.071 208 L CA 2.059 56.932 54.840 0.054 0.000 0.749 208 L CB -0.400 41.684 42.059 0.042 0.000 0.890 208 L HN 0.524 nan 8.230 nan 0.000 0.431 209 Q N -0.731 119.033 119.800 -0.061 0.000 2.152 209 Q HA -0.264 4.076 4.340 0.001 0.000 0.206 209 Q C 2.110 178.121 176.000 0.018 0.000 0.985 209 Q CA 2.021 57.785 55.803 -0.066 0.000 0.863 209 Q CB -0.192 28.432 28.738 -0.189 0.000 0.904 209 Q HN 0.546 nan 8.270 nan 0.000 0.422 210 W N 0.406 121.716 121.300 0.016 0.000 2.333 210 W HA -0.177 4.484 4.660 0.001 0.000 0.316 210 W C 2.147 178.670 176.519 0.006 0.000 1.215 210 W CA 0.921 58.268 57.345 0.003 0.000 1.278 210 W CB -0.861 28.596 29.460 -0.006 0.000 1.154 210 W HN 0.303 nan 8.180 nan 0.000 0.486 211 M N -0.582 119.169 119.600 0.251 0.000 2.296 211 M HA -0.149 4.331 4.480 0.001 0.000 0.265 211 M C 1.836 178.198 176.300 0.103 0.000 1.064 211 M CA 0.937 56.331 55.300 0.156 0.000 1.109 211 M CB -0.803 31.886 32.600 0.148 0.000 1.396 211 M HN -0.275 nan 8.290 nan 0.000 0.430 212 V N 0.240 120.206 119.914 0.087 0.000 2.453 212 V HA -0.205 3.916 4.120 0.001 0.000 0.247 212 V C 1.073 177.166 176.094 -0.002 0.000 1.048 212 V CA 1.663 63.964 62.300 0.001 0.000 1.049 212 V CB -0.419 31.398 31.823 -0.010 0.000 0.672 212 V HN 0.348 nan 8.190 nan 0.000 0.457 213 D N -0.252 120.180 120.400 0.053 0.000 2.328 213 D HA 0.040 4.681 4.640 0.001 0.000 0.226 213 D C 0.539 176.874 176.300 0.058 0.000 1.066 213 D CA 0.069 54.105 54.000 0.058 0.000 0.861 213 D CB -0.445 40.420 40.800 0.108 0.000 0.912 213 D HN 0.423 nan 8.370 nan 0.000 0.521 214 D N 0.587 121.017 120.400 0.051 0.000 2.648 214 D HA -0.121 4.520 4.640 0.001 0.000 0.229 214 D C 1.058 177.373 176.300 0.026 0.000 1.119 214 D CA 0.407 54.429 54.000 0.038 0.000 0.850 214 D CB 0.708 41.524 40.800 0.027 0.000 1.169 214 D HN -0.134 nan 8.370 nan 0.000 0.489 215 R N 3.129 123.646 120.500 0.029 0.000 2.365 215 R HA 0.101 4.441 4.340 0.001 0.000 0.223 215 R C 1.458 177.773 176.300 0.025 0.000 0.899 215 R CA -0.007 56.108 56.100 0.026 0.000 1.059 215 R CB -0.105 30.215 30.300 0.034 0.000 1.086 215 R HN 0.343 nan 8.270 nan 0.000 0.522 216 V N 0.388 120.316 119.914 0.024 0.000 2.379 216 V HA 0.025 4.145 4.120 0.001 0.000 0.243 216 V C 1.919 178.016 176.094 0.005 0.000 1.035 216 V CA 2.123 64.434 62.300 0.018 0.000 1.035 216 V CB -0.043 31.787 31.823 0.012 0.000 0.673 216 V HN 0.294 nan 8.190 nan 0.000 0.457 217 A N -0.949 121.872 122.820 0.001 0.000 2.312 217 A HA 0.409 4.729 4.320 0.001 0.000 0.215 217 A C 2.066 179.643 177.584 -0.010 0.000 1.256 217 A CA 0.888 52.921 52.037 -0.006 0.000 0.966 217 A CB -0.330 18.665 19.000 -0.008 0.000 1.053 217 A HN 0.422 nan 8.150 nan 0.000 0.510 218 G N 1.771 110.566 108.800 -0.007 0.000 2.553 218 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 218 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 218 G C -0.230 174.654 174.900 -0.027 0.000 1.195 218 G CA 1.696 46.785 45.100 -0.019 0.000 0.779 218 G HN 0.448 nan 8.290 nan 0.000 0.577 219 P HA -0.080 nan 4.420 nan 0.000 0.214 219 P C 2.088 179.375 177.300 -0.023 0.000 1.163 219 P CA 0.621 63.708 63.100 -0.021 0.000 0.883 219 P CB -0.171 31.522 31.700 -0.012 0.000 0.788 220 L N -0.472 120.739 121.223 -0.019 0.000 1.990 220 L HA -0.189 4.152 4.340 0.001 0.000 0.213 220 L C 2.292 179.144 176.870 -0.030 0.000 1.072 220 L CA 1.890 56.717 54.840 -0.022 0.000 0.755 220 L CB -1.360 40.688 42.059 -0.019 0.000 0.889 220 L HN -0.114 nan 8.230 nan 0.000 0.432 221 I N -1.127 119.424 120.570 -0.032 0.000 2.286 221 I HA -0.304 3.866 4.170 0.001 0.000 0.248 221 I C 2.691 178.780 176.117 -0.048 0.000 1.115 221 I CA 1.282 62.556 61.300 -0.042 0.000 1.392 221 I CB -0.379 37.599 38.000 -0.037 0.000 1.065 221 I HN 0.290 nan 8.210 nan 0.000 0.418 222 R N 0.896 121.371 120.500 -0.042 0.000 2.096 222 R HA -0.161 4.180 4.340 0.001 0.000 0.235 222 R C 2.521 178.800 176.300 -0.035 0.000 1.127 222 R CA 1.749 57.825 56.100 -0.040 0.000 0.968 222 R CB -0.095 30.176 30.300 -0.048 0.000 0.861 222 R HN 0.452 nan 8.270 nan 0.000 0.440 223 S N -0.542 115.138 115.700 -0.034 0.000 2.453 223 S HA -0.062 4.409 4.470 0.001 0.000 0.231 223 S C 1.734 176.312 174.600 -0.037 0.000 1.005 223 S CA 0.854 59.036 58.200 -0.030 0.000 0.949 223 S CB 0.185 63.370 63.200 -0.025 0.000 0.774 223 S HN 0.264 nan 8.310 nan 0.000 0.510 224 V N -1.470 118.414 119.914 -0.049 0.000 3.660 224 V HA 0.476 4.596 4.120 0.001 0.000 0.276 224 V C 0.636 176.677 176.094 -0.089 0.000 1.317 224 V CA -0.492 61.771 62.300 -0.062 0.000 1.097 224 V CB -0.855 30.930 31.823 -0.063 0.000 0.863 224 V HN 0.356 nan 8.190 nan 0.000 0.438 225 L N 2.397 123.566 121.223 -0.091 0.000 2.452 225 L HA 0.359 4.699 4.340 0.001 0.000 0.267 225 L C -1.601 175.212 176.870 -0.095 0.000 1.188 225 L CA -1.546 53.209 54.840 -0.142 0.000 0.821 225 L CB 0.244 42.248 42.059 -0.091 0.000 1.102 225 L HN 0.150 nan 8.230 nan 0.000 0.470 226 P HA 0.096 nan 4.420 nan 0.000 0.269 226 P C -0.786 176.619 177.300 0.175 0.000 1.215 226 P CA -0.495 62.605 63.100 0.000 0.000 0.780 226 P CB 0.557 32.237 31.700 -0.035 0.000 0.898 227 A N 1.138 124.033 122.820 0.125 0.000 2.498 227 A HA 0.428 4.748 4.320 0.001 0.000 0.239 227 A C 1.452 179.121 177.584 0.143 0.000 1.068 227 A CA 0.818 52.918 52.037 0.104 0.000 0.766 227 A CB -1.211 17.818 19.000 0.048 0.000 1.003 227 A HN 0.927 nan 8.150 nan 0.000 0.497 228 G N 0.184 109.024 108.800 0.066 0.000 2.254 228 G HA2 -0.219 3.742 3.960 0.001 0.000 0.225 228 G HA3 -0.219 3.742 3.960 0.001 0.000 0.225 228 G C -0.119 174.690 174.900 -0.151 0.000 1.003 228 G CA 0.094 45.154 45.100 -0.065 0.000 0.622 228 G HN 0.779 nan 8.290 nan 0.000 0.507 229 W N 1.203 122.462 121.300 -0.068 0.000 2.335 229 W HA 0.698 5.359 4.660 0.001 0.000 0.306 229 W C 0.526 177.045 176.519 -0.000 0.000 1.216 229 W CA -1.104 56.199 57.345 -0.069 0.000 1.237 229 W CB 0.323 29.704 29.460 -0.132 0.000 1.243 229 W HN 0.171 nan 8.180 nan 0.000 0.493 230 F N 5.556 125.537 119.950 0.051 0.000 2.429 230 F HA 0.441 4.968 4.527 0.001 0.000 0.348 230 F C -0.275 175.580 175.800 0.091 0.000 1.109 230 F CA -0.408 57.617 58.000 0.042 0.000 1.232 230 F CB 0.384 39.387 39.000 0.005 0.000 1.157 230 F HN 0.192 nan 8.300 nan 0.000 0.564 231 I N 5.158 125.597 120.570 -0.219 0.000 2.607 231 I HA 0.700 4.871 4.170 0.001 0.000 0.290 231 I C -1.612 174.384 176.117 -0.203 0.000 1.129 231 I CA -0.441 60.847 61.300 -0.020 0.000 1.042 231 I CB 1.636 39.632 38.000 -0.007 0.000 1.242 231 I HN 0.708 nan 8.210 nan 0.000 0.421 232 A N 4.950 127.817 122.820 0.077 0.000 2.414 232 A HA 0.896 5.217 4.320 0.001 0.000 0.306 232 A C -1.470 176.178 177.584 0.107 0.000 1.054 232 A CA -0.135 51.962 52.037 0.099 0.000 0.724 232 A CB 1.166 20.335 19.000 0.281 0.000 1.267 232 A HN 0.880 nan 8.150 nan 0.000 0.418 233 D N -0.074 120.369 120.400 0.072 0.000 2.692 233 D HA 0.663 5.303 4.640 0.001 0.000 0.290 233 D C -1.101 175.228 176.300 0.049 0.000 1.281 233 D CA -0.622 53.413 54.000 0.059 0.000 0.804 233 D CB 1.009 41.829 40.800 0.033 0.000 1.331 233 D HN 0.389 nan 8.370 nan 0.000 0.432 234 K N 0.171 120.592 120.400 0.035 0.000 2.581 234 K HA 0.558 4.878 4.320 0.001 0.000 0.249 234 K C -1.519 175.093 176.600 0.020 0.000 0.966 234 K CA -0.321 55.982 56.287 0.027 0.000 0.811 234 K CB 1.478 33.997 32.500 0.032 0.000 1.223 234 K HN 0.724 nan 8.250 nan 0.000 0.438 235 T N 0.043 114.607 114.554 0.018 0.000 2.950 235 T HA 0.939 5.290 4.350 0.001 0.000 0.288 235 T C 0.213 174.937 174.700 0.040 0.000 1.035 235 T CA -0.625 61.486 62.100 0.019 0.000 1.028 235 T CB 1.854 70.724 68.868 0.004 0.000 1.109 235 T HN 0.615 nan 8.240 nan 0.000 0.514 236 G N -0.819 108.018 108.800 0.063 0.000 2.695 236 G HA2 0.812 4.772 3.960 0.001 0.000 0.290 236 G HA3 0.812 4.772 3.960 0.001 0.000 0.290 236 G C -1.639 173.303 174.900 0.070 0.000 1.410 236 G CA -0.616 44.532 45.100 0.080 0.000 0.844 236 G HN 1.211 nan 8.290 nan 0.000 0.478 237 A N -1.292 121.561 122.820 0.055 0.000 2.594 237 A HA 1.012 5.333 4.320 0.001 0.000 0.295 237 A C -0.131 177.478 177.584 0.043 0.000 1.071 237 A CA 0.094 52.157 52.037 0.044 0.000 0.685 237 A CB 1.752 20.758 19.000 0.009 0.000 1.285 237 A HN 2.226 nan 8.150 nan 0.000 0.405 241 R N 0.226 120.739 120.500 0.022 0.000 3.416 241 R HA -0.256 4.085 4.340 0.001 0.000 0.263 241 R C 0.664 176.986 176.300 0.037 0.000 1.053 241 R CA 0.871 56.985 56.100 0.025 0.000 0.705 241 R CB -1.989 28.322 30.300 0.019 0.000 1.124 241 R HN 1.011 nan 8.270 nan 0.000 0.444 242 G N -1.576 107.248 108.800 0.039 0.000 2.168 242 G HA2 -0.338 3.622 3.960 0.001 0.000 0.263 242 G HA3 -0.338 3.622 3.960 0.001 0.000 0.263 242 G C 0.380 175.322 174.900 0.069 0.000 0.977 242 G CA 0.329 45.459 45.100 0.049 0.000 0.659 242 G HN 0.985 nan 8.290 nan 0.000 0.533 243 A N -0.431 122.432 122.820 0.072 0.000 2.546 243 A HA 0.633 4.953 4.320 0.001 0.000 0.243 243 A C 0.657 178.300 177.584 0.098 0.000 1.063 243 A CA 1.522 53.618 52.037 0.099 0.000 0.757 243 A CB 0.236 19.288 19.000 0.086 0.000 0.991 243 A HN 1.263 nan 8.150 nan 0.000 0.503 244 R N 0.841 121.420 120.500 0.131 0.000 2.604 244 R HA 0.626 4.966 4.340 0.001 0.000 0.270 244 R C -0.373 176.020 176.300 0.155 0.000 1.052 244 R CA 0.589 56.756 56.100 0.111 0.000 0.902 244 R CB 1.868 32.210 30.300 0.070 0.000 1.233 244 R HN 1.483 nan 8.270 nan 0.000 0.455 245 G N 2.289 111.164 108.800 0.126 0.000 2.559 245 G HA2 0.580 4.541 3.960 0.001 0.000 0.291 245 G HA3 0.580 4.541 3.960 0.001 0.000 0.291 245 G C -1.880 173.005 174.900 -0.025 0.000 1.424 245 G CA -0.479 44.666 45.100 0.075 0.000 0.786 245 G HN 0.655 nan 8.290 nan 0.000 0.485 246 I N -0.056 120.404 120.570 -0.183 0.000 2.743 246 I HA 0.613 4.783 4.170 0.001 0.000 0.292 246 I C -1.166 174.830 176.117 -0.201 0.000 1.343 246 I CA -1.117 60.107 61.300 -0.127 0.000 1.038 246 I CB 2.146 40.100 38.000 -0.076 0.000 1.311 246 I HN 0.716 nan 8.210 nan 0.000 0.426 247 V N 4.028 123.886 119.914 -0.093 0.000 2.555 247 V HA 1.057 5.177 4.120 0.001 0.000 0.302 247 V C -0.427 175.671 176.094 0.006 0.000 1.038 247 V CA -0.049 62.213 62.300 -0.064 0.000 0.887 247 V CB 1.048 32.863 31.823 -0.013 0.000 0.991 247 V HN 1.020 nan 8.190 nan 0.000 0.434 248 A N 4.148 126.988 122.820 0.034 0.000 2.606 248 A HA 0.907 5.227 4.320 0.001 0.000 0.293 248 A C -1.736 175.926 177.584 0.131 0.000 1.082 248 A CA -0.715 51.374 52.037 0.086 0.000 0.685 248 A CB 1.787 20.835 19.000 0.081 0.000 1.284 248 A HN 0.929 nan 8.150 nan 0.000 0.408 249 L N 0.992 122.331 121.223 0.194 0.000 2.296 249 L HA 0.812 5.152 4.340 0.001 0.000 0.286 249 L C -0.590 176.489 176.870 0.348 0.000 1.023 249 L CA -0.244 54.734 54.840 0.231 0.000 0.812 249 L CB 1.266 43.466 42.059 0.235 0.000 1.223 249 L HN 0.715 nan 8.230 nan 0.000 0.421 250 L N 2.197 123.611 121.223 0.318 0.000 2.465 250 L HA 1.015 5.356 4.340 0.001 0.000 0.257 250 L C -0.541 176.523 176.870 0.324 0.000 0.988 250 L CA 0.058 55.125 54.840 0.379 0.000 0.827 250 L CB 2.475 44.746 42.059 0.353 0.000 1.397 250 L HN 0.586 nan 8.230 nan 0.000 0.410 251 G N 2.460 111.376 108.800 0.192 0.000 2.411 251 G HA2 0.481 4.441 3.960 0.001 0.000 0.295 251 G HA3 0.481 4.441 3.960 0.001 0.000 0.295 251 G C -3.436 171.009 174.900 -0.759 0.000 1.542 251 G CA -0.570 44.414 45.100 -0.193 0.000 0.814 251 G HN 0.483 nan 8.290 nan 0.000 0.557 255 N N 0.776 119.411 118.700 -0.108 0.000 2.735 255 N HA -0.212 4.528 4.740 0.001 0.000 0.248 255 N C -0.208 175.369 175.510 0.112 0.000 1.083 255 N CA 1.210 54.294 53.050 0.057 0.000 0.703 255 N CB -0.568 37.947 38.487 0.046 0.000 1.005 255 N HN 0.575 nan 8.380 nan 0.000 0.550 256 K N -0.062 120.323 120.400 -0.025 0.000 2.371 256 K HA 0.616 4.937 4.320 0.001 0.000 0.251 256 K C -0.377 175.902 176.600 -0.534 0.000 0.934 256 K CA -0.484 55.669 56.287 -0.223 0.000 0.798 256 K CB 1.334 33.738 32.500 -0.161 0.000 1.204 256 K HN 0.036 nan 8.250 nan 0.000 0.427 257 A N 3.643 125.853 122.820 -1.017 0.000 3.026 257 A HA 0.039 4.359 4.320 0.001 0.000 0.272 257 A C 0.863 178.261 177.584 -0.310 0.000 1.782 257 A CA 0.028 51.496 52.037 -0.947 0.000 1.451 257 A CB -0.606 17.808 19.000 -0.976 0.000 1.081 257 A HN 1.024 nan 8.150 nan 0.000 0.611 258 E N 1.430 121.564 120.200 -0.110 0.000 2.076 258 E HA -0.040 4.311 4.350 0.001 0.000 0.190 258 E C 0.492 177.142 176.600 0.082 0.000 0.979 258 E CA 0.745 57.161 56.400 0.025 0.000 0.807 258 E CB 0.163 29.955 29.700 0.153 0.000 0.761 258 E HN 0.738 nan 8.360 nan 0.000 0.454 259 R N -0.051 120.558 120.500 0.182 0.000 2.771 259 R HA 0.465 4.806 4.340 0.001 0.000 0.274 259 R C -0.838 175.554 176.300 0.155 0.000 0.987 259 R CA -0.775 55.413 56.100 0.146 0.000 0.908 259 R CB 1.723 32.104 30.300 0.134 0.000 1.213 259 R HN 0.001 nan 8.270 nan 0.000 0.468 260 I N 1.874 122.499 120.570 0.091 0.000 2.365 260 I HA 0.264 4.434 4.170 0.001 0.000 0.291 260 I C -0.381 175.785 176.117 0.081 0.000 1.004 260 I CA -0.712 60.638 61.300 0.083 0.000 1.311 260 I CB 1.601 39.631 38.000 0.051 0.000 1.401 260 I HN 0.143 nan 8.210 nan 0.000 0.491 261 V N 7.378 127.344 119.914 0.086 0.000 2.483 261 V HA 0.395 4.516 4.120 0.001 0.000 0.297 261 V C -0.291 175.794 176.094 -0.015 0.000 1.027 261 V CA -0.607 61.728 62.300 0.058 0.000 0.855 261 V CB 2.120 34.013 31.823 0.116 0.000 0.995 261 V HN 0.380 nan 8.190 nan 0.000 0.424 262 V N 6.580 126.455 119.914 -0.065 0.000 2.487 262 V HA 0.586 4.707 4.120 0.001 0.000 0.298 262 V C -0.433 175.509 176.094 -0.254 0.000 1.028 262 V CA -0.405 61.779 62.300 -0.193 0.000 0.860 262 V CB 1.941 33.658 31.823 -0.176 0.000 0.991 262 V HN 0.705 nan 8.190 nan 0.000 0.427 263 I N 5.228 125.564 120.570 -0.389 0.000 2.478 263 I HA 0.514 4.684 4.170 0.001 0.000 0.287 263 I C -1.257 174.577 176.117 -0.470 0.000 1.042 263 I CA -0.441 60.671 61.300 -0.313 0.000 1.067 263 I CB 1.812 39.713 38.000 -0.165 0.000 1.233 263 I HN 0.507 nan 8.210 nan 0.000 0.431 264 Y N 5.827 125.949 120.300 -0.296 0.000 2.562 264 Y HA 0.719 5.269 4.550 0.001 0.000 0.343 264 Y C -0.550 175.194 175.900 -0.260 0.000 1.025 264 Y CA -1.096 56.812 58.100 -0.320 0.000 1.082 264 Y CB 2.357 40.514 38.460 -0.505 0.000 1.264 264 Y HN 0.378 nan 8.280 nan 0.000 0.478 265 L N 3.251 124.572 121.223 0.163 0.000 2.422 265 L HA 0.758 5.098 4.340 0.001 0.000 0.264 265 L C -1.079 175.968 176.870 0.295 0.000 0.984 265 L CA -0.709 54.258 54.840 0.212 0.000 0.819 265 L CB 1.929 44.066 42.059 0.130 0.000 1.330 265 L HN 0.853 nan 8.230 nan 0.000 0.410 266 R N 1.425 122.116 120.500 0.318 0.000 2.752 266 R HA 0.533 4.874 4.340 0.001 0.000 0.271 266 R C -1.439 174.941 176.300 0.134 0.000 1.026 266 R CA -0.599 55.631 56.100 0.217 0.000 0.901 266 R CB 0.974 31.405 30.300 0.218 0.000 1.243 266 R HN 0.619 nan 8.270 nan 0.000 0.463 267 D N 0.505 120.951 120.400 0.077 0.000 2.802 267 D HA -0.188 4.453 4.640 0.001 0.000 0.229 267 D C -0.930 175.405 176.300 0.057 0.000 1.203 267 D CA 1.940 55.970 54.000 0.049 0.000 0.712 267 D CB -0.657 40.158 40.800 0.025 0.000 0.973 267 D HN 0.619 nan 8.370 nan 0.000 0.407 268 T N -0.925 113.664 114.554 0.058 0.000 2.912 268 T HA 0.475 4.825 4.350 0.001 0.000 0.299 268 T C -2.070 172.653 174.700 0.038 0.000 1.052 268 T CA -1.617 60.513 62.100 0.051 0.000 0.996 268 T CB 2.482 71.386 68.868 0.059 0.000 1.070 268 T HN -0.193 nan 8.240 nan 0.000 0.465 269 P HA 0.255 nan 4.420 nan 0.000 0.249 269 P C 0.528 177.841 177.300 0.022 0.000 1.229 269 P CA -0.106 63.008 63.100 0.024 0.000 0.788 269 P CB -0.112 31.600 31.700 0.020 0.000 1.072 270 A N 1.289 124.124 122.820 0.025 0.000 2.492 270 A HA 0.303 4.623 4.320 0.001 0.000 0.236 270 A C 0.906 178.501 177.584 0.018 0.000 1.078 270 A CA 0.066 52.115 52.037 0.021 0.000 0.773 270 A CB -0.293 18.720 19.000 0.022 0.000 1.023 270 A HN 0.358 nan 8.150 nan 0.000 0.504 271 S N 1.218 116.925 115.700 0.013 0.000 2.584 271 S HA 0.166 4.636 4.470 0.001 0.000 0.270 271 S C 1.036 175.642 174.600 0.010 0.000 1.346 271 S CA 0.420 58.626 58.200 0.010 0.000 1.018 271 S CB 0.234 63.438 63.200 0.007 0.000 0.899 271 S HN 0.917 nan 8.310 nan 0.000 0.542 272 M N 2.431 122.036 119.600 0.008 0.000 2.108 272 M HA -0.049 4.431 4.480 0.001 0.000 0.261 272 M C 2.066 178.368 176.300 0.003 0.000 1.066 272 M CA 2.308 57.611 55.300 0.006 0.000 1.107 272 M CB -1.387 31.213 32.600 0.000 0.000 1.356 272 M HN 0.927 nan 8.290 nan 0.000 0.406 273 A N -0.481 122.340 122.820 0.001 0.000 1.883 273 A HA -0.244 4.076 4.320 0.001 0.000 0.217 273 A C 2.183 179.766 177.584 -0.001 0.000 1.186 273 A CA 2.121 54.157 52.037 -0.002 0.000 0.624 273 A CB -1.084 17.914 19.000 -0.002 0.000 0.822 273 A HN 0.713 nan 8.150 nan 0.000 0.444 274 E N -0.526 119.675 120.200 0.002 0.000 2.077 274 E HA -0.222 4.129 4.350 0.001 0.000 0.193 274 E C 2.286 178.888 176.600 0.004 0.000 0.989 274 E CA 1.134 57.536 56.400 0.002 0.000 0.800 274 E CB -0.061 29.643 29.700 0.006 0.000 0.746 274 E HN 0.579 nan 8.360 nan 0.000 0.452 275 R N 0.402 120.908 120.500 0.010 0.000 2.091 275 R HA -0.113 4.227 4.340 0.001 0.000 0.238 275 R C 2.200 178.503 176.300 0.005 0.000 1.136 275 R CA 1.632 57.741 56.100 0.015 0.000 0.959 275 R CB -0.181 30.133 30.300 0.024 0.000 0.856 275 R HN 0.185 nan 8.270 nan 0.000 0.437 276 N N 0.664 119.363 118.700 -0.000 0.000 2.142 276 N HA -0.159 4.582 4.740 0.001 0.000 0.186 276 N C 1.712 177.213 175.510 -0.015 0.000 1.023 276 N CA 1.322 54.367 53.050 -0.008 0.000 0.852 276 N CB -0.169 38.312 38.487 -0.010 0.000 0.998 276 N HN 0.402 nan 8.380 nan 0.000 0.424 277 Q N 0.463 120.255 119.800 -0.014 0.000 2.079 277 Q HA -0.073 4.268 4.340 0.001 0.000 0.200 277 Q C 1.865 177.852 176.000 -0.021 0.000 0.974 277 Q CA 0.865 56.657 55.803 -0.019 0.000 0.840 277 Q CB -0.104 28.624 28.738 -0.016 0.000 0.898 277 Q HN 0.389 nan 8.270 nan 0.000 0.430 278 Q N 0.605 120.396 119.800 -0.016 0.000 2.084 278 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 278 Q C 2.172 178.156 176.000 -0.027 0.000 0.978 278 Q CA 1.190 56.981 55.803 -0.019 0.000 0.844 278 Q CB -0.202 28.531 28.738 -0.008 0.000 0.898 278 Q HN 0.473 nan 8.270 nan 0.000 0.426 279 I N 0.655 121.212 120.570 -0.023 0.000 2.394 279 I HA -0.223 3.948 4.170 0.001 0.000 0.251 279 I C 2.354 178.446 176.117 -0.040 0.000 1.136 279 I CA 0.862 62.143 61.300 -0.032 0.000 1.425 279 I CB -0.354 37.629 38.000 -0.029 0.000 1.079 279 I HN 0.053 nan 8.210 nan 0.000 0.425 280 A N 0.882 123.678 122.820 -0.039 0.000 1.902 280 A HA -0.106 4.215 4.320 0.001 0.000 0.217 280 A C 2.450 180.001 177.584 -0.054 0.000 1.181 280 A CA 1.818 53.826 52.037 -0.049 0.000 0.623 280 A CB -1.374 17.598 19.000 -0.046 0.000 0.818 280 A HN 0.441 nan 8.150 nan 0.000 0.443 281 G N -0.005 108.768 108.800 -0.045 0.000 2.422 281 G HA2 -0.155 3.805 3.960 0.001 0.000 0.218 281 G HA3 -0.155 3.805 3.960 0.001 0.000 0.218 281 G C 1.501 176.375 174.900 -0.044 0.000 1.146 281 G CA 1.102 46.175 45.100 -0.044 0.000 0.769 281 G HN 0.488 nan 8.290 nan 0.000 0.547 282 I N 1.240 121.781 120.570 -0.047 0.000 2.252 282 I HA -0.056 4.115 4.170 0.001 0.000 0.245 282 I C 3.093 179.193 176.117 -0.030 0.000 1.102 282 I CA 0.943 62.215 61.300 -0.046 0.000 1.385 282 I CB -0.513 37.453 38.000 -0.057 0.000 1.064 282 I HN 0.222 nan 8.210 nan 0.000 0.414 283 G N 0.739 109.514 108.800 -0.041 0.000 2.446 283 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 283 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 283 G C 1.890 176.740 174.900 -0.083 0.000 1.168 283 G CA 0.955 46.026 45.100 -0.049 0.000 0.771 283 G HN 0.491 nan 8.290 nan 0.000 0.551 284 A N 1.238 124.001 122.820 -0.094 0.000 1.892 284 A HA 0.133 4.454 4.320 0.001 0.000 0.218 284 A C 2.849 180.389 177.584 -0.073 0.000 1.188 284 A CA 2.682 54.648 52.037 -0.117 0.000 0.631 284 A CB -0.933 18.011 19.000 -0.093 0.000 0.822 284 A HN 0.926 nan 8.150 nan 0.000 0.447 285 A N -0.991 121.830 122.820 0.002 0.000 1.902 285 A HA 0.009 4.330 4.320 0.001 0.000 0.217 285 A C 2.041 179.738 177.584 0.188 0.000 1.181 285 A CA 1.684 53.792 52.037 0.119 0.000 0.623 285 A CB -0.511 18.538 19.000 0.082 0.000 0.818 285 A HN 0.399 nan 8.150 nan 0.000 0.443 286 L N -0.236 121.060 121.223 0.121 0.000 2.017 286 L HA -0.124 4.216 4.340 0.001 0.000 0.208 286 L C 2.425 179.479 176.870 0.306 0.000 1.073 286 L CA 1.617 56.577 54.840 0.201 0.000 0.745 286 L CB -0.942 41.219 42.059 0.169 0.000 0.894 286 L HN 0.412 nan 8.230 nan 0.000 0.432 287 I N -1.018 119.579 120.570 0.045 0.000 2.252 287 I HA -0.273 3.898 4.170 0.001 0.000 0.245 287 I C 2.511 178.557 176.117 -0.118 0.000 1.102 287 I CA 1.122 62.270 61.300 -0.253 0.000 1.385 287 I CB -0.207 37.328 38.000 -0.776 0.000 1.064 287 I HN 0.364 nan 8.210 nan 0.000 0.414 288 E N 0.278 120.387 120.200 -0.153 0.000 2.150 288 E HA -0.214 4.137 4.350 0.001 0.000 0.193 288 E C 0.748 177.163 176.600 -0.308 0.000 0.985 288 E CA 1.180 57.422 56.400 -0.262 0.000 0.814 288 E CB 0.087 29.534 29.700 -0.422 0.000 0.752 288 E HN 0.626 nan 8.360 nan 0.000 0.466 289 H N -1.184 117.973 119.070 0.144 0.000 2.472 289 H HA 0.119 4.675 4.556 0.001 0.000 0.287 289 H C -0.698 174.774 175.328 0.241 0.000 1.112 289 H CA -0.579 55.559 56.048 0.151 0.000 1.021 289 H CB -0.195 29.616 29.762 0.080 0.000 1.635 289 H HN 0.177 nan 8.280 nan 0.000 0.559 290 W N 2.842 124.226 121.300 0.141 0.000 2.264 290 W HA 0.046 4.706 4.660 0.001 0.000 0.331 290 W C -0.562 176.032 176.519 0.125 0.000 1.364 290 W CA 0.332 57.778 57.345 0.168 0.000 1.253 290 W CB 0.683 30.313 29.460 0.283 0.000 1.215 290 W HN 0.304 nan 8.180 nan 0.000 0.561 291 Q N 4.835 124.632 119.800 -0.004 0.000 2.248 291 Q HA 0.379 4.719 4.340 0.001 0.000 0.263 291 Q C 0.380 176.335 176.000 -0.076 0.000 1.007 291 Q CA -0.800 54.998 55.803 -0.008 0.000 0.877 291 Q CB 2.247 30.956 28.738 -0.049 0.000 1.315 291 Q HN 0.494 nan 8.270 nan 0.000 0.454 292 R N 0.000 120.503 120.500 0.004 0.000 2.786 292 R HA 0.000 4.340 4.340 0.001 0.000 0.208 292 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 292 R CB 0.000 30.312 30.300 0.020 0.000 0.687 292 R HN 0.000 nan 8.270 nan 0.000 0.535