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 1z47_1_B DATA FIRST_RESID 14 DATA SEQUENCE TIEFVGVEKI YPGGARSVRG VSFQIREGEM VGLLGPSGSG KTTILRLIAG DATA SEQUENCE LERPTKGDVW IGGKRVTDLP PQKRNVGLVF QNYALFQHMT VYDNVSFGLR DATA SEQUENCE EKRVPKDEMD ARVRELLRFM RLESYANRFP HELSGGQQQR VALARALAPR DATA SEQUENCE PQVLLFDEPF AAIDTQIRRE LRTFVRQVHD EMGVTSVFVT HDQEEALEVA DATA SEQUENCE DRVLVLHEGN VEQFGTPEEV YEKPGTLFVA SFIGESNVWT RAVQNGRIEV DATA SEQUENCE AGAALPVDPA VSEGSEVAVV VRPKDVELQP ASEREAHAQV VRSAFKGSYS DATA SEQUENCE ACWIRTKDGE VWEVHVPSAD RHRWSPGAWV HMNVTRWFIF PR 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 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.813 174.700 0.188 0.000 1.109 14 T CA 0.000 62.191 62.100 0.152 0.000 1.349 14 T CB 0.000 68.950 68.868 0.136 0.000 0.612 15 I N 1.387 122.087 120.570 0.217 0.000 2.647 15 I HA 0.728 4.906 4.170 0.013 0.000 0.295 15 I C -0.872 175.404 176.117 0.265 0.000 1.078 15 I CA -0.787 60.674 61.300 0.267 0.000 1.048 15 I CB 2.745 40.924 38.000 0.297 0.000 1.239 15 I HN 0.054 nan 8.210 nan 0.000 0.421 16 E N 5.130 125.490 120.200 0.267 0.000 2.321 16 E HA 0.478 4.836 4.350 0.013 0.000 0.278 16 E C -2.021 174.666 176.600 0.146 0.000 0.902 16 E CA -0.491 55.971 56.400 0.105 0.000 0.758 16 E CB 2.134 31.851 29.700 0.028 0.000 1.213 16 E HN 0.452 nan 8.360 nan 0.000 0.426 17 F N 2.902 122.470 119.950 -0.637 0.000 2.436 17 F HA 0.478 5.013 4.527 0.014 0.000 0.340 17 F C -0.356 175.235 175.800 -0.348 0.000 1.113 17 F CA -1.031 56.646 58.000 -0.539 0.000 1.022 17 F CB 1.838 40.275 39.000 -0.938 0.000 1.128 17 F HN 0.183 nan 8.300 nan 0.000 0.466 18 V N 2.994 122.859 119.914 -0.082 0.000 2.325 18 V HA 0.342 4.470 4.120 0.013 0.000 0.280 18 V C 0.368 176.427 176.094 -0.058 0.000 1.016 18 V CA -0.725 61.528 62.300 -0.078 0.000 0.818 18 V CB 0.867 32.649 31.823 -0.069 0.000 1.019 18 V HN 1.031 nan 8.190 nan 0.000 0.434 19 G N 4.306 113.082 108.800 -0.040 0.000 2.395 19 G HA2 -0.200 3.768 3.960 0.013 0.000 0.300 19 G HA3 -0.200 3.768 3.960 0.013 0.000 0.300 19 G C 0.128 175.009 174.900 -0.032 0.000 0.998 19 G CA 0.460 45.545 45.100 -0.024 0.000 1.046 19 G HN 0.702 nan 8.290 nan 0.000 0.513 20 V N 0.093 119.988 119.914 -0.032 0.000 2.555 20 V HA 0.470 4.598 4.120 0.013 0.000 0.286 20 V C 0.594 176.688 176.094 0.001 0.000 1.044 20 V CA 0.325 62.584 62.300 -0.069 0.000 1.026 20 V CB 1.658 33.377 31.823 -0.173 0.000 0.981 20 V HN 0.581 nan 8.190 nan 0.000 0.480 21 E N 4.552 124.736 120.200 -0.027 0.000 2.275 21 E HA 0.505 4.863 4.350 0.013 0.000 0.270 21 E C -1.237 175.345 176.600 -0.030 0.000 0.882 21 E CA -0.884 55.510 56.400 -0.011 0.000 0.758 21 E CB 1.562 31.248 29.700 -0.023 0.000 1.195 21 E HN 0.444 nan 8.360 nan 0.000 0.419 22 K N 5.378 125.770 120.400 -0.013 0.000 2.731 22 K HA 0.340 4.668 4.320 0.013 0.000 0.257 22 K C -1.522 175.041 176.600 -0.062 0.000 1.032 22 K CA -0.379 55.871 56.287 -0.063 0.000 0.983 22 K CB 0.644 33.145 32.500 0.002 0.000 1.248 22 K HN 0.624 nan 8.250 nan 0.000 0.484 23 I N 3.622 124.108 120.570 -0.140 0.000 2.392 23 I HA 0.335 4.513 4.170 0.013 0.000 0.295 23 I C -0.564 175.430 176.117 -0.205 0.000 0.985 23 I CA -1.011 60.241 61.300 -0.080 0.000 1.221 23 I CB 0.947 38.916 38.000 -0.052 0.000 1.366 23 I HN 0.335 nan 8.210 nan 0.000 0.467 24 Y N 6.710 126.999 120.300 -0.019 0.000 2.331 24 Y HA 0.289 4.847 4.550 0.014 0.000 0.338 24 Y C -1.366 174.521 175.900 -0.022 0.000 0.976 24 Y CA -1.995 56.094 58.100 -0.018 0.000 1.137 24 Y CB 0.943 39.394 38.460 -0.016 0.000 1.172 24 Y HN 0.453 nan 8.280 nan 0.000 0.478 25 P HA -0.170 nan 4.420 nan 0.000 0.222 25 P C 1.098 178.428 177.300 0.050 0.000 1.142 25 P CA 1.601 64.727 63.100 0.044 0.000 0.788 25 P CB 0.255 31.969 31.700 0.024 0.000 0.767 26 G N -1.661 107.187 108.800 0.080 0.000 2.880 26 G HA2 0.317 4.286 3.960 0.013 0.000 0.209 26 G HA3 0.317 4.286 3.960 0.013 0.000 0.209 26 G C 1.111 176.023 174.900 0.021 0.000 1.157 26 G CA 0.624 45.749 45.100 0.042 0.000 0.779 26 G HN 0.504 nan 8.290 nan 0.000 0.539 27 G N 0.273 109.097 108.800 0.039 0.000 4.731 27 G HA2 0.100 4.068 3.960 0.013 0.000 0.266 27 G HA3 0.100 4.068 3.960 0.013 0.000 0.266 27 G C 0.892 175.787 174.900 -0.009 0.000 1.635 27 G CA 0.346 45.448 45.100 0.003 0.000 1.229 27 G HN 1.491 nan 8.290 nan 0.000 0.663 28 A N 0.913 123.702 122.820 -0.051 0.000 2.587 28 A HA 0.480 4.808 4.320 0.013 0.000 0.235 28 A C 1.526 179.010 177.584 -0.165 0.000 1.044 28 A CA 2.408 54.387 52.037 -0.098 0.000 0.754 28 A CB -0.385 18.554 19.000 -0.103 0.000 0.968 28 A HN 1.750 nan 8.150 nan 0.000 0.509 29 R N -0.159 120.239 120.500 -0.171 0.000 3.426 29 R HA -0.128 4.220 4.340 0.013 0.000 0.478 29 R C 0.437 176.738 176.300 0.002 0.000 0.673 29 R CA 0.935 56.882 56.100 -0.255 0.000 1.455 29 R CB -2.278 27.560 30.300 -0.769 0.000 2.122 29 R HN 0.678 nan 8.270 nan 0.000 0.418 30 S N 0.950 116.731 115.700 0.134 0.000 2.568 30 S HA 0.300 4.779 4.470 0.013 0.000 0.282 30 S C 0.305 174.973 174.600 0.114 0.000 1.338 30 S CA -0.124 58.212 58.200 0.226 0.000 1.045 30 S CB 1.604 64.875 63.200 0.118 0.000 0.873 30 S HN 0.156 nan 8.310 nan 0.000 0.516 31 V N 4.169 124.156 119.914 0.122 0.000 2.407 31 V HA 0.369 4.497 4.120 0.013 0.000 0.291 31 V C 0.072 176.201 176.094 0.059 0.000 1.018 31 V CA -0.660 61.697 62.300 0.096 0.000 0.842 31 V CB 1.342 33.256 31.823 0.151 0.000 0.996 31 V HN 0.766 nan 8.190 nan 0.000 0.426 32 R N 3.624 124.143 120.500 0.032 0.000 3.559 32 R HA 0.505 4.853 4.340 0.013 0.000 0.273 32 R C 0.804 177.113 176.300 0.015 0.000 1.423 32 R CA 0.006 56.112 56.100 0.011 0.000 1.581 32 R CB 0.994 31.285 30.300 -0.015 0.000 1.338 32 R HN 1.053 nan 8.270 nan 0.000 0.667 33 G N 0.849 109.664 108.800 0.026 0.000 2.473 33 G HA2 -0.215 3.753 3.960 0.013 0.000 0.289 33 G HA3 -0.215 3.753 3.960 0.013 0.000 0.289 33 G C -0.281 174.645 174.900 0.044 0.000 1.084 33 G CA -0.464 44.650 45.100 0.023 0.000 1.215 33 G HN 0.295 nan 8.290 nan 0.000 0.527 34 V N 0.792 120.757 119.914 0.085 0.000 2.547 34 V HA 0.855 4.983 4.120 0.013 0.000 0.299 34 V C 0.487 176.632 176.094 0.086 0.000 1.040 34 V CA -0.324 62.050 62.300 0.122 0.000 0.913 34 V CB 2.169 34.121 31.823 0.216 0.000 0.992 34 V HN 0.725 nan 8.190 nan 0.000 0.449 35 S N 4.334 120.062 115.700 0.048 0.000 2.575 35 S HA 0.896 5.374 4.470 0.013 0.000 0.278 35 S C -1.045 173.545 174.600 -0.017 0.000 1.139 35 S CA -0.547 57.615 58.200 -0.065 0.000 0.954 35 S CB 1.560 64.742 63.200 -0.031 0.000 1.054 35 S HN 0.723 nan 8.310 nan 0.000 0.483 36 F N -0.342 119.595 119.950 -0.021 0.000 2.741 36 F HA 0.658 5.194 4.527 0.014 0.000 0.311 36 F C -1.635 174.157 175.800 -0.013 0.000 1.149 36 F CA -1.080 56.863 58.000 -0.095 0.000 0.930 36 F CB 1.108 39.855 39.000 -0.422 0.000 1.312 36 F HN 0.382 nan 8.300 nan 0.000 0.450 37 Q N 2.231 122.263 119.800 0.386 0.000 2.292 37 Q HA 0.630 4.978 4.340 0.013 0.000 0.270 37 Q C -1.346 174.911 176.000 0.429 0.000 1.024 37 Q CA -0.640 55.350 55.803 0.312 0.000 0.768 37 Q CB 3.125 31.975 28.738 0.185 0.000 1.250 37 Q HN 0.669 nan 8.270 nan 0.000 0.447 38 I N 2.809 123.605 120.570 0.376 0.000 2.359 38 I HA 0.340 4.518 4.170 0.013 0.000 0.294 38 I C 0.265 176.516 176.117 0.223 0.000 0.987 38 I CA -0.631 60.864 61.300 0.326 0.000 1.225 38 I CB 1.018 39.177 38.000 0.265 0.000 1.366 38 I HN 0.379 nan 8.210 nan 0.000 0.466 39 R N 4.608 125.217 120.500 0.181 0.000 2.679 39 R HA 0.222 4.570 4.340 0.013 0.000 0.269 39 R C -0.296 176.080 176.300 0.128 0.000 1.076 39 R CA -0.644 55.534 56.100 0.129 0.000 1.160 39 R CB 0.456 30.810 30.300 0.090 0.000 1.054 39 R HN 0.533 nan 8.270 nan 0.000 0.507 40 E N 0.427 120.690 120.200 0.105 0.000 2.376 40 E HA 0.052 4.410 4.350 0.013 0.000 0.266 40 E C 0.737 177.395 176.600 0.097 0.000 1.009 40 E CA 0.701 57.161 56.400 0.099 0.000 0.902 40 E CB 0.548 30.293 29.700 0.075 0.000 0.972 40 E HN 0.856 nan 8.360 nan 0.000 0.439 41 G N 2.915 111.781 108.800 0.110 0.000 2.148 41 G HA2 -0.348 3.620 3.960 0.013 0.000 0.254 41 G HA3 -0.348 3.620 3.960 0.013 0.000 0.254 41 G C 0.172 175.207 174.900 0.225 0.000 0.981 41 G CA 0.531 45.692 45.100 0.102 0.000 0.670 41 G HN 0.578 nan 8.290 nan 0.000 0.528 42 E N -0.557 119.778 120.200 0.225 0.000 2.283 42 E HA 0.641 4.999 4.350 0.013 0.000 0.271 42 E C 0.304 177.029 176.600 0.208 0.000 1.031 42 E CA -0.896 55.630 56.400 0.211 0.000 0.868 42 E CB 0.556 30.339 29.700 0.139 0.000 1.094 42 E HN 0.312 nan 8.360 nan 0.000 0.401 43 M N 4.603 124.227 119.600 0.040 0.000 2.072 43 M HA 0.315 4.803 4.480 0.013 0.000 0.331 43 M C -1.889 174.434 176.300 0.039 0.000 1.004 43 M CA -0.604 54.630 55.300 -0.109 0.000 0.952 43 M CB 1.026 33.356 32.600 -0.450 0.000 1.511 43 M HN 0.202 nan 8.290 nan 0.000 0.422 44 V N 4.282 124.225 119.914 0.048 0.000 2.483 44 V HA 0.728 4.856 4.120 0.013 0.000 0.295 44 V C 0.486 176.358 176.094 -0.370 0.000 1.035 44 V CA -0.675 61.595 62.300 -0.050 0.000 0.896 44 V CB 1.750 33.560 31.823 -0.022 0.000 0.986 44 V HN 0.944 nan 8.190 nan 0.000 0.447 45 G N 4.506 112.960 108.800 -0.576 0.000 2.335 45 G HA2 0.604 4.573 3.960 0.013 0.000 0.316 45 G HA3 0.604 4.573 3.960 0.013 0.000 0.316 45 G C -0.730 173.782 174.900 -0.646 0.000 1.129 45 G CA -0.583 43.748 45.100 -1.282 0.000 0.899 45 G HN 0.636 nan 8.290 nan 0.000 0.448 46 L N 3.172 124.030 121.223 -0.608 0.000 2.282 46 L HA 0.304 4.652 4.340 0.013 0.000 0.287 46 L C -0.352 176.384 176.870 -0.223 0.000 1.075 46 L CA -0.741 53.885 54.840 -0.357 0.000 0.839 46 L CB 1.053 42.927 42.059 -0.308 0.000 1.219 46 L HN 0.286 nan 8.230 nan 0.000 0.434 47 L N 3.743 124.898 121.223 -0.113 0.000 2.287 47 L HA 0.937 5.285 4.340 0.013 0.000 0.287 47 L C 0.051 177.014 176.870 0.155 0.000 1.022 47 L CA 0.267 55.145 54.840 0.064 0.000 0.814 47 L CB 1.333 43.465 42.059 0.121 0.000 1.217 47 L HN 0.525 nan 8.230 nan 0.000 0.420 48 G N 3.992 112.924 108.800 0.220 0.000 2.523 48 G HA2 0.466 4.435 3.960 0.013 0.000 0.291 48 G HA3 0.466 4.435 3.960 0.013 0.000 0.291 48 G C -3.384 171.610 174.900 0.156 0.000 1.450 48 G CA -0.877 44.273 45.100 0.083 0.000 0.790 48 G HN 0.401 nan 8.290 nan 0.000 0.496 49 P HA 0.292 nan 4.420 nan 0.000 0.272 49 P C 0.360 177.696 177.300 0.060 0.000 1.240 49 P CA -0.211 62.953 63.100 0.107 0.000 0.791 49 P CB 0.840 32.559 31.700 0.031 0.000 0.978 50 S N 0.890 116.617 115.700 0.044 0.000 2.546 50 S HA 0.288 4.766 4.470 0.013 0.000 0.290 50 S C 1.355 175.935 174.600 -0.033 0.000 1.290 50 S CA 0.916 59.118 58.200 0.004 0.000 1.069 50 S CB -1.508 61.675 63.200 -0.027 0.000 0.846 50 S HN 0.882 nan 8.310 nan 0.000 0.495 51 G N 3.099 111.869 108.800 -0.051 0.000 2.162 51 G HA2 -0.311 3.657 3.960 0.013 0.000 0.260 51 G HA3 -0.311 3.657 3.960 0.013 0.000 0.260 51 G C 0.812 175.654 174.900 -0.096 0.000 0.976 51 G CA 0.882 45.931 45.100 -0.086 0.000 0.655 51 G HN 1.636 nan 8.290 nan 0.000 0.533 52 S N -0.678 114.969 115.700 -0.088 0.000 2.607 52 S HA 0.396 4.875 4.470 0.013 0.000 0.224 52 S C 2.182 176.724 174.600 -0.096 0.000 0.969 52 S CA 1.329 59.456 58.200 -0.122 0.000 0.927 52 S CB 0.182 63.306 63.200 -0.125 0.000 0.772 52 S HN 2.359 nan 8.310 nan 0.000 0.533 53 G N 2.294 111.055 108.800 -0.065 0.000 2.195 53 G HA2 -0.327 3.641 3.960 0.013 0.000 0.224 53 G HA3 -0.327 3.641 3.960 0.013 0.000 0.224 53 G C 0.838 175.725 174.900 -0.021 0.000 0.990 53 G CA 0.283 45.367 45.100 -0.026 0.000 0.639 53 G HN 0.674 nan 8.290 nan 0.000 0.514 54 K N -0.137 120.234 120.400 -0.048 0.000 2.057 54 K HA -0.028 4.300 4.320 0.013 0.000 0.207 54 K C 2.061 178.631 176.600 -0.050 0.000 1.049 54 K CA 1.988 58.236 56.287 -0.065 0.000 0.931 54 K CB -0.633 31.828 32.500 -0.065 0.000 0.714 54 K HN 0.248 nan 8.250 nan 0.000 0.440 55 T N 1.105 115.634 114.554 -0.041 0.000 2.812 55 T HA -0.068 4.290 4.350 0.013 0.000 0.264 55 T C 1.868 176.572 174.700 0.008 0.000 1.042 55 T CA 1.750 63.824 62.100 -0.043 0.000 1.140 55 T CB -0.384 68.447 68.868 -0.060 0.000 0.870 55 T HN 0.387 nan 8.240 nan 0.000 0.445 56 T N 2.429 117.000 114.554 0.028 0.000 2.720 56 T HA -0.011 4.347 4.350 0.013 0.000 0.268 56 T C 1.957 176.758 174.700 0.167 0.000 1.037 56 T CA 0.945 63.109 62.100 0.106 0.000 1.144 56 T CB -0.425 68.530 68.868 0.146 0.000 0.864 56 T HN 0.312 nan 8.240 nan 0.000 0.444 57 I N 0.375 121.037 120.570 0.153 0.000 2.163 57 I HA -0.161 4.017 4.170 0.013 0.000 0.243 57 I C 2.365 178.610 176.117 0.212 0.000 1.085 57 I CA 1.009 62.444 61.300 0.226 0.000 1.347 57 I CB -0.367 37.658 38.000 0.043 0.000 1.044 57 I HN 0.165 nan 8.210 nan 0.000 0.408 58 L N 0.951 122.231 121.223 0.094 0.000 2.012 58 L HA -0.228 4.120 4.340 0.013 0.000 0.210 58 L C 2.650 179.640 176.870 0.200 0.000 1.073 58 L CA 1.875 56.779 54.840 0.107 0.000 0.748 58 L CB -0.456 41.609 42.059 0.010 0.000 0.891 58 L HN 0.080 nan 8.230 nan 0.000 0.431 59 R N -1.351 119.260 120.500 0.185 0.000 2.148 59 R HA -0.095 4.253 4.340 0.013 0.000 0.227 59 R C 1.994 178.411 176.300 0.195 0.000 1.103 59 R CA 0.766 56.991 56.100 0.208 0.000 0.983 59 R CB -0.324 30.078 30.300 0.170 0.000 0.874 59 R HN 0.273 nan 8.270 nan 0.000 0.451 60 L N 0.596 121.961 121.223 0.237 0.000 2.156 60 L HA -0.068 4.280 4.340 0.013 0.000 0.208 60 L C 2.038 179.048 176.870 0.232 0.000 1.095 60 L CA 1.567 56.533 54.840 0.209 0.000 0.770 60 L CB -0.528 41.691 42.059 0.266 0.000 0.914 60 L HN 0.212 nan 8.230 nan 0.000 0.439 61 I N -0.760 120.025 120.570 0.359 0.000 2.439 61 I HA -0.178 4.001 4.170 0.013 0.000 0.251 61 I C 2.500 178.729 176.117 0.186 0.000 1.139 61 I CA 0.874 62.370 61.300 0.326 0.000 1.438 61 I CB -0.305 37.893 38.000 0.330 0.000 1.085 61 I HN 0.127 nan 8.210 nan 0.000 0.427 62 A N 0.277 123.199 122.820 0.170 0.000 1.968 62 A HA 0.149 4.477 4.320 0.013 0.000 0.217 62 A C 2.019 179.632 177.584 0.048 0.000 1.169 62 A CA 1.343 53.439 52.037 0.099 0.000 0.638 62 A CB -0.566 18.502 19.000 0.113 0.000 0.812 62 A HN 0.547 nan 8.150 nan 0.000 0.446 63 G N -1.772 107.062 108.800 0.058 0.000 2.179 63 G HA2 -0.215 3.753 3.960 0.013 0.000 0.220 63 G HA3 -0.215 3.753 3.960 0.013 0.000 0.220 63 G C 0.768 175.680 174.900 0.020 0.000 0.990 63 G CA 0.344 45.456 45.100 0.019 0.000 0.646 63 G HN 0.390 nan 8.290 nan 0.000 0.517 64 L N -0.180 121.070 121.223 0.045 0.000 2.376 64 L HA 0.231 4.579 4.340 0.013 0.000 0.219 64 L C 0.998 177.904 176.870 0.059 0.000 1.133 64 L CA 0.954 55.823 54.840 0.048 0.000 0.816 64 L CB -0.071 42.038 42.059 0.083 0.000 0.933 64 L HN 0.221 nan 8.230 nan 0.000 0.449 65 E N -0.601 119.639 120.200 0.067 0.000 2.343 65 E HA 0.493 4.851 4.350 0.013 0.000 0.270 65 E C -1.144 175.469 176.600 0.022 0.000 0.895 65 E CA -0.726 55.712 56.400 0.063 0.000 0.767 65 E CB 2.715 32.483 29.700 0.113 0.000 1.248 65 E HN -0.128 nan 8.360 nan 0.000 0.440 66 R N 1.561 122.057 120.500 -0.006 0.000 2.599 66 R HA 0.417 4.765 4.340 0.013 0.000 0.295 66 R C -2.463 173.800 176.300 -0.062 0.000 0.963 66 R CA -1.831 54.242 56.100 -0.044 0.000 0.883 66 R CB 1.311 31.582 30.300 -0.048 0.000 1.171 66 R HN 0.240 nan 8.270 nan 0.000 0.450 67 P HA 0.049 nan 4.420 nan 0.000 0.271 67 P C -0.336 176.911 177.300 -0.089 0.000 1.216 67 P CA -0.066 62.973 63.100 -0.101 0.000 0.776 67 P CB 1.285 32.892 31.700 -0.156 0.000 0.881 68 T N 1.474 115.977 114.554 -0.085 0.000 3.023 68 T HA 0.014 4.372 4.350 0.013 0.000 0.266 68 T C 0.565 175.226 174.700 -0.066 0.000 1.093 68 T CA 1.164 63.217 62.100 -0.079 0.000 1.129 68 T CB -0.073 68.742 68.868 -0.088 0.000 0.899 68 T HN 0.475 nan 8.240 nan 0.000 0.491 69 K N -0.849 119.511 120.400 -0.066 0.000 2.597 69 K HA 0.517 4.845 4.320 0.013 0.000 0.282 69 K C -0.373 176.187 176.600 -0.066 0.000 0.975 69 K CA -0.532 55.722 56.287 -0.055 0.000 0.867 69 K CB 2.393 34.867 32.500 -0.043 0.000 1.465 69 K HN 0.185 nan 8.250 nan 0.000 0.417 70 G N 1.404 110.171 108.800 -0.055 0.000 2.756 70 G HA2 -0.120 3.848 3.960 0.013 0.000 0.678 70 G HA3 -0.120 3.848 3.960 0.013 0.000 0.678 70 G C -1.539 173.313 174.900 -0.080 0.000 1.349 70 G CA -0.673 44.390 45.100 -0.062 0.000 0.847 70 G HN 0.585 nan 8.290 nan 0.000 0.548 71 D N -1.522 118.841 120.400 -0.060 0.000 2.581 71 D HA 0.548 5.196 4.640 0.013 0.000 0.232 71 D C -0.763 175.494 176.300 -0.071 0.000 1.143 71 D CA -0.259 53.719 54.000 -0.036 0.000 0.881 71 D CB 2.710 43.599 40.800 0.149 0.000 1.500 71 D HN 0.786 nan 8.370 nan 0.000 0.458 72 V N 1.439 121.277 119.914 -0.126 0.000 2.448 72 V HA 0.553 4.681 4.120 0.013 0.000 0.295 72 V C -1.716 174.415 176.094 0.063 0.000 1.025 72 V CA -0.356 61.873 62.300 -0.118 0.000 0.859 72 V CB 1.185 32.812 31.823 -0.327 0.000 0.988 72 V HN 0.443 nan 8.190 nan 0.000 0.431 73 W N 5.720 127.004 121.300 -0.027 0.000 2.689 73 W HA 0.804 5.472 4.660 0.014 0.000 0.340 73 W C -0.415 176.141 176.519 0.062 0.000 1.060 73 W CA -0.754 56.597 57.345 0.010 0.000 1.218 73 W CB 1.738 31.201 29.460 0.005 0.000 1.410 73 W HN 0.393 nan 8.180 nan 0.000 0.528 74 I N 2.755 123.458 120.570 0.221 0.000 2.534 74 I HA 0.369 4.547 4.170 0.013 0.000 0.286 74 I C 0.704 176.911 176.117 0.149 0.000 1.094 74 I CA -0.882 60.523 61.300 0.176 0.000 1.055 74 I CB 1.820 39.889 38.000 0.115 0.000 1.225 74 I HN 0.714 nan 8.210 nan 0.000 0.435 75 G N 4.089 112.986 108.800 0.162 0.000 2.249 75 G HA2 -0.132 3.836 3.960 0.013 0.000 0.273 75 G HA3 -0.132 3.836 3.960 0.013 0.000 0.273 75 G C 0.968 175.967 174.900 0.164 0.000 1.036 75 G CA 0.545 45.725 45.100 0.133 0.000 0.824 75 G HN 1.608 nan 8.290 nan 0.000 0.504 76 G N -1.001 107.956 108.800 0.262 0.000 2.168 76 G HA2 -0.290 3.678 3.960 0.013 0.000 0.257 76 G HA3 -0.290 3.678 3.960 0.013 0.000 0.257 76 G C 0.277 175.427 174.900 0.416 0.000 0.997 76 G CA 1.483 46.815 45.100 0.387 0.000 0.708 76 G HN 1.501 nan 8.290 nan 0.000 0.520 77 K N 0.324 120.835 120.400 0.185 0.000 2.367 77 K HA 0.455 4.784 4.320 0.013 0.000 0.263 77 K C 0.688 176.984 176.600 -0.506 0.000 1.000 77 K CA -1.041 55.168 56.287 -0.131 0.000 0.891 77 K CB 0.536 32.995 32.500 -0.068 0.000 1.117 77 K HN 0.230 nan 8.250 nan 0.000 0.443 78 R N 3.860 123.660 120.500 -1.166 0.000 2.446 78 R HA 0.014 4.362 4.340 0.013 0.000 0.325 78 R C 0.431 176.352 176.300 -0.631 0.000 0.997 78 R CA 0.211 55.450 56.100 -1.434 0.000 1.010 78 R CB 0.192 29.645 30.300 -1.410 0.000 0.946 78 R HN 0.548 nan 8.270 nan 0.000 0.422 79 V N 0.762 120.407 119.914 -0.450 0.000 3.380 79 V HA 0.103 4.231 4.120 0.013 0.000 0.307 79 V C 1.322 177.300 176.094 -0.193 0.000 1.434 79 V CA 0.199 62.352 62.300 -0.244 0.000 1.075 79 V CB 0.595 32.332 31.823 -0.144 0.000 0.954 79 V HN 0.732 nan 8.190 nan 0.000 0.444 80 T N 1.722 116.137 114.554 -0.232 0.000 2.684 80 T HA -0.240 4.118 4.350 0.013 0.000 0.267 80 T C 1.085 175.708 174.700 -0.128 0.000 1.032 80 T CA 2.673 64.669 62.100 -0.174 0.000 1.155 80 T CB -0.358 68.410 68.868 -0.167 0.000 0.857 80 T HN 0.629 nan 8.240 nan 0.000 0.457 81 D N 0.525 120.851 120.400 -0.123 0.000 2.388 81 D HA 0.284 4.932 4.640 0.013 0.000 0.221 81 D C -0.029 176.223 176.300 -0.079 0.000 1.133 81 D CA 0.005 53.950 54.000 -0.091 0.000 0.831 81 D CB -0.061 40.688 40.800 -0.084 0.000 0.962 81 D HN 0.371 nan 8.370 nan 0.000 0.502 82 L N 2.085 123.258 121.223 -0.084 0.000 2.325 82 L HA 0.383 4.732 4.340 0.013 0.000 0.279 82 L C -1.985 174.855 176.870 -0.049 0.000 1.054 82 L CA -1.829 52.971 54.840 -0.067 0.000 0.804 82 L CB 1.414 43.429 42.059 -0.074 0.000 1.200 82 L HN -0.227 nan 8.230 nan 0.000 0.436 83 P HA 0.179 nan 4.420 nan 0.000 0.274 83 P C -2.397 174.886 177.300 -0.028 0.000 1.256 83 P CA -1.498 61.584 63.100 -0.031 0.000 0.795 83 P CB 0.352 32.036 31.700 -0.027 0.000 1.038 84 P HA -0.230 nan 4.420 nan 0.000 0.215 84 P C 1.906 179.188 177.300 -0.030 0.000 1.157 84 P CA 2.067 65.146 63.100 -0.035 0.000 0.874 84 P CB -0.325 31.340 31.700 -0.058 0.000 0.790 85 Q N 0.027 119.811 119.800 -0.026 0.000 2.181 85 Q HA -0.220 4.128 4.340 0.013 0.000 0.205 85 Q C 1.852 177.842 176.000 -0.017 0.000 0.980 85 Q CA 1.594 57.387 55.803 -0.016 0.000 0.862 85 Q CB -0.700 28.032 28.738 -0.011 0.000 0.905 85 Q HN 0.042 nan 8.270 nan 0.000 0.429 86 K N 0.913 121.300 120.400 -0.022 0.000 2.487 86 K HA 0.101 4.429 4.320 0.013 0.000 0.192 86 K C -0.103 176.482 176.600 -0.024 0.000 1.027 86 K CA 0.117 56.388 56.287 -0.025 0.000 1.054 86 K CB 0.388 32.868 32.500 -0.034 0.000 0.824 86 K HN 0.180 nan 8.250 nan 0.000 0.510 87 R N 0.200 120.689 120.500 -0.017 0.000 2.598 87 R HA 0.235 4.583 4.340 0.013 0.000 0.279 87 R C -0.199 176.103 176.300 0.003 0.000 0.984 87 R CA -0.678 55.418 56.100 -0.008 0.000 0.999 87 R CB 0.745 31.045 30.300 0.001 0.000 1.114 87 R HN -0.011 nan 8.270 nan 0.000 0.493 88 N N 2.114 120.822 118.700 0.014 0.000 3.259 88 N HA 0.056 4.804 4.740 0.013 0.000 0.308 88 N C -1.013 174.517 175.510 0.033 0.000 1.334 88 N CA 0.101 53.164 53.050 0.021 0.000 1.202 88 N CB 0.258 38.760 38.487 0.026 0.000 1.485 88 N HN 0.322 nan 8.380 nan 0.000 0.549 89 V N -2.295 117.634 119.914 0.025 0.000 2.789 89 V HA 0.891 5.019 4.120 0.013 0.000 0.311 89 V C 0.262 176.357 176.094 0.002 0.000 1.073 89 V CA -0.926 61.391 62.300 0.029 0.000 0.921 89 V CB 1.560 33.408 31.823 0.041 0.000 1.009 89 V HN 0.087 nan 8.190 nan 0.000 0.426 90 G N 3.422 112.221 108.800 -0.003 0.000 2.420 90 G HA2 0.680 4.648 3.960 0.013 0.000 0.331 90 G HA3 0.680 4.648 3.960 0.013 0.000 0.331 90 G C -1.481 173.367 174.900 -0.086 0.000 1.168 90 G CA -0.784 44.298 45.100 -0.029 0.000 0.936 90 G HN 0.645 nan 8.290 nan 0.000 0.479 91 L N 1.261 122.408 121.223 -0.126 0.000 2.322 91 L HA 0.497 4.845 4.340 0.013 0.000 0.281 91 L C 0.008 176.853 176.870 -0.041 0.000 1.014 91 L CA -1.001 53.701 54.840 -0.229 0.000 0.815 91 L CB 1.942 43.588 42.059 -0.688 0.000 1.247 91 L HN 0.241 nan 8.230 nan 0.000 0.421 92 V N 4.247 124.172 119.914 0.020 0.000 2.315 92 V HA 0.400 4.528 4.120 0.013 0.000 0.265 92 V C -0.510 175.799 176.094 0.358 0.000 1.019 92 V CA -0.428 61.911 62.300 0.065 0.000 0.824 92 V CB 0.139 31.765 31.823 -0.329 0.000 1.072 92 V HN 0.360 nan 8.190 nan 0.000 0.448 93 F N 1.103 121.092 119.950 0.064 0.000 2.483 93 F HA 0.447 4.983 4.527 0.014 0.000 0.329 93 F C 1.424 177.276 175.800 0.087 0.000 1.064 93 F CA -1.029 56.995 58.000 0.039 0.000 0.986 93 F CB 1.869 40.858 39.000 -0.018 0.000 1.218 93 F HN 0.320 nan 8.300 nan 0.000 0.484 94 Q N 0.807 120.718 119.800 0.184 0.000 2.311 94 Q HA -0.141 4.207 4.340 0.013 0.000 0.203 94 Q C 1.617 177.720 176.000 0.172 0.000 0.954 94 Q CA 0.764 56.648 55.803 0.135 0.000 0.885 94 Q CB -0.020 28.753 28.738 0.058 0.000 0.963 94 Q HN 0.642 nan 8.270 nan 0.000 0.471 95 N N -0.417 118.417 118.700 0.222 0.000 2.459 95 N HA -0.128 4.620 4.740 0.013 0.000 0.181 95 N C 0.093 175.724 175.510 0.201 0.000 1.046 95 N CA 0.372 53.540 53.050 0.196 0.000 0.904 95 N CB 0.054 38.689 38.487 0.245 0.000 0.964 95 N HN 0.321 nan 8.380 nan 0.000 0.444 96 Y N -0.177 120.191 120.300 0.112 0.000 2.314 96 Y HA 0.395 4.953 4.550 0.013 0.000 0.359 96 Y C 0.172 176.076 175.900 0.007 0.000 1.360 96 Y CA -0.489 57.629 58.100 0.030 0.000 1.697 96 Y CB 0.849 39.305 38.460 -0.007 0.000 1.630 96 Y HN 0.066 nan 8.280 nan 0.000 0.583 97 A N 1.479 124.405 122.820 0.176 0.000 2.562 97 A HA 0.321 4.649 4.320 0.013 0.000 0.305 97 A C -1.628 175.775 177.584 -0.302 0.000 1.059 97 A CA -0.789 51.231 52.037 -0.028 0.000 0.835 97 A CB 0.000 19.046 19.000 0.077 0.000 1.299 97 A HN 0.642 nan 8.150 nan 0.000 0.392 98 L N 1.773 122.787 121.223 -0.348 0.000 2.483 98 L HA 0.203 4.551 4.340 0.013 0.000 0.275 98 L C 0.012 176.694 176.870 -0.313 0.000 1.220 98 L CA 0.257 54.794 54.840 -0.505 0.000 0.833 98 L CB 0.213 42.091 42.059 -0.301 0.000 1.102 98 L HN 0.697 nan 8.230 nan 0.000 0.490 99 F N 1.986 121.819 119.950 -0.195 0.000 2.494 99 F HA 0.033 4.568 4.527 0.014 0.000 0.351 99 F C 1.445 177.163 175.800 -0.137 0.000 1.205 99 F CA -0.732 57.176 58.000 -0.152 0.000 1.125 99 F CB 0.323 39.241 39.000 -0.136 0.000 1.268 99 F HN 0.562 nan 8.300 nan 0.000 0.593 100 Q N 1.446 121.179 119.800 -0.112 0.000 2.308 100 Q HA -0.203 4.145 4.340 0.013 0.000 0.209 100 Q C 0.942 176.822 176.000 -0.200 0.000 0.985 100 Q CA 1.593 57.248 55.803 -0.247 0.000 0.881 100 Q CB -0.422 28.051 28.738 -0.443 0.000 0.917 100 Q HN 0.792 nan 8.270 nan 0.000 0.443 101 H N -1.938 117.290 119.070 0.263 0.000 2.505 101 H HA 0.387 4.951 4.556 0.014 0.000 0.289 101 H C 0.158 175.755 175.328 0.448 0.000 1.052 101 H CA -0.299 55.900 56.048 0.251 0.000 1.156 101 H CB 0.350 30.176 29.762 0.108 0.000 1.507 101 H HN 0.020 nan 8.280 nan 0.000 0.548 102 M N 1.556 121.454 119.600 0.498 0.000 2.535 102 M HA 0.238 4.727 4.480 0.013 0.000 0.314 102 M C -0.037 176.351 176.300 0.147 0.000 1.153 102 M CA -0.871 54.654 55.300 0.376 0.000 0.924 102 M CB 1.855 34.640 32.600 0.309 0.000 1.710 102 M HN 0.228 nan 8.290 nan 0.000 0.451 103 T N -0.346 114.109 114.554 -0.165 0.000 2.766 103 T HA 0.170 4.529 4.350 0.013 0.000 0.295 103 T C 1.144 175.777 174.700 -0.112 0.000 1.024 103 T CA -0.903 60.927 62.100 -0.450 0.000 1.018 103 T CB 0.608 69.233 68.868 -0.405 0.000 1.002 103 T HN 0.461 nan 8.240 nan 0.000 0.532 104 V N 0.865 120.714 119.914 -0.107 0.000 2.287 104 V HA -0.168 3.960 4.120 0.013 0.000 0.248 104 V C 2.111 178.230 176.094 0.041 0.000 1.053 104 V CA 2.208 64.494 62.300 -0.023 0.000 1.027 104 V CB -1.344 30.480 31.823 0.002 0.000 0.646 104 V HN 0.926 nan 8.190 nan 0.000 0.447 105 Y N 1.274 121.547 120.300 -0.046 0.000 2.114 105 Y HA -0.303 4.255 4.550 0.014 0.000 0.282 105 Y C 2.407 178.326 175.900 0.032 0.000 1.165 105 Y CA 2.271 60.368 58.100 -0.005 0.000 1.148 105 Y CB -0.189 38.262 38.460 -0.016 0.000 0.972 105 Y HN 0.324 nan 8.280 nan 0.000 0.504 106 D N -0.463 120.120 120.400 0.305 0.000 2.183 106 D HA -0.161 4.487 4.640 0.013 0.000 0.203 106 D C 1.777 178.209 176.300 0.220 0.000 0.969 106 D CA 0.807 54.975 54.000 0.279 0.000 0.842 106 D CB -0.400 40.564 40.800 0.273 0.000 0.957 106 D HN 0.460 nan 8.370 nan 0.000 0.484 107 N N 0.371 119.154 118.700 0.138 0.000 2.120 107 N HA -0.103 4.645 4.740 0.013 0.000 0.188 107 N C 1.848 177.380 175.510 0.036 0.000 1.024 107 N CA 0.679 53.769 53.050 0.067 0.000 0.852 107 N CB 0.130 38.563 38.487 -0.091 0.000 1.003 107 N HN 0.046 nan 8.380 nan 0.000 0.424 108 V N 1.242 121.149 119.914 -0.013 0.000 2.667 108 V HA -0.127 4.001 4.120 0.013 0.000 0.252 108 V C 2.335 178.417 176.094 -0.020 0.000 1.065 108 V CA 1.704 63.982 62.300 -0.037 0.000 1.083 108 V CB -0.346 31.424 31.823 -0.088 0.000 0.692 108 V HN 0.418 nan 8.190 nan 0.000 0.468 109 S N -0.646 115.026 115.700 -0.047 0.000 2.489 109 S HA -0.117 4.361 4.470 0.013 0.000 0.228 109 S C 1.844 176.505 174.600 0.102 0.000 0.995 109 S CA 0.546 58.722 58.200 -0.040 0.000 0.934 109 S CB -0.686 62.450 63.200 -0.108 0.000 0.771 109 S HN 0.459 nan 8.310 nan 0.000 0.522 110 F N 3.354 123.336 119.950 0.054 0.000 2.063 110 F HA -0.169 4.366 4.527 0.013 0.000 0.297 110 F C 2.372 178.223 175.800 0.085 0.000 1.099 110 F CA 1.772 59.844 58.000 0.120 0.000 1.220 110 F CB -1.065 38.083 39.000 0.245 0.000 0.972 110 F HN 0.322 nan 8.300 nan 0.000 0.487 111 G N -0.074 108.832 108.800 0.177 0.000 2.421 111 G HA2 -0.215 3.753 3.960 0.013 0.000 0.216 111 G HA3 -0.215 3.753 3.960 0.013 0.000 0.216 111 G C 1.714 176.598 174.900 -0.026 0.000 1.171 111 G CA 1.004 46.139 45.100 0.059 0.000 0.775 111 G HN 0.439 nan 8.290 nan 0.000 0.543 112 L N 0.011 121.227 121.223 -0.011 0.000 2.191 112 L HA -0.010 4.338 4.340 0.013 0.000 0.212 112 L C 2.805 179.647 176.870 -0.046 0.000 1.103 112 L CA 0.829 55.656 54.840 -0.023 0.000 0.769 112 L CB -0.270 41.779 42.059 -0.016 0.000 0.908 112 L HN 0.117 nan 8.230 nan 0.000 0.438 113 R N 0.723 121.179 120.500 -0.073 0.000 2.200 113 R HA -0.202 4.146 4.340 0.013 0.000 0.234 113 R C 1.897 178.120 176.300 -0.128 0.000 1.127 113 R CA 1.463 57.503 56.100 -0.100 0.000 0.989 113 R CB -0.220 29.992 30.300 -0.148 0.000 0.869 113 R HN 0.448 nan 8.270 nan 0.000 0.459 114 E N -0.657 119.457 120.200 -0.143 0.000 2.489 114 E HA 0.039 4.397 4.350 0.013 0.000 0.204 114 E C 0.343 176.901 176.600 -0.069 0.000 1.006 114 E CA -0.044 56.283 56.400 -0.121 0.000 0.936 114 E CB 0.360 29.968 29.700 -0.153 0.000 1.002 114 E HN 0.216 nan 8.360 nan 0.000 0.488 115 K N 0.801 121.170 120.400 -0.052 0.000 2.476 115 K HA 0.133 4.461 4.320 0.013 0.000 0.196 115 K C 0.041 176.625 176.600 -0.026 0.000 1.025 115 K CA -0.029 56.239 56.287 -0.033 0.000 1.138 115 K CB 0.212 32.698 32.500 -0.023 0.000 0.860 115 K HN 0.074 nan 8.250 nan 0.000 0.515 116 R N -0.164 120.317 120.500 -0.031 0.000 3.863 116 R HA -0.144 4.204 4.340 0.013 0.000 0.313 116 R C -0.288 176.004 176.300 -0.014 0.000 1.202 116 R CA 0.387 56.474 56.100 -0.022 0.000 0.852 116 R CB -2.382 27.907 30.300 -0.019 0.000 1.292 116 R HN -0.004 nan 8.270 nan 0.000 0.519 117 V N 2.017 121.923 119.914 -0.013 0.000 2.599 117 V HA 0.044 4.172 4.120 0.013 0.000 0.300 117 V C -1.301 174.793 176.094 0.001 0.000 1.034 117 V CA -0.590 61.707 62.300 -0.006 0.000 1.115 117 V CB 0.553 32.373 31.823 -0.005 0.000 0.934 117 V HN 0.012 nan 8.190 nan 0.000 0.485 118 P HA 0.071 nan 4.420 nan 0.000 0.269 118 P C 0.873 178.184 177.300 0.019 0.000 1.217 118 P CA -0.282 62.824 63.100 0.010 0.000 0.783 118 P CB 0.579 32.285 31.700 0.009 0.000 0.898 119 K N 1.515 121.930 120.400 0.025 0.000 2.034 119 K HA -0.286 4.042 4.320 0.013 0.000 0.214 119 K C 1.112 177.740 176.600 0.046 0.000 1.051 119 K CA 2.235 58.546 56.287 0.039 0.000 0.931 119 K CB -0.437 32.086 32.500 0.038 0.000 0.715 119 K HN 0.353 nan 8.250 nan 0.000 0.446 120 D N 0.287 120.708 120.400 0.035 0.000 2.123 120 D HA -0.152 4.496 4.640 0.013 0.000 0.196 120 D C 1.815 178.138 176.300 0.038 0.000 0.992 120 D CA 1.505 55.527 54.000 0.037 0.000 0.833 120 D CB -0.085 40.731 40.800 0.026 0.000 0.954 120 D HN 0.336 nan 8.370 nan 0.000 0.455 121 E N -0.334 119.882 120.200 0.027 0.000 2.107 121 E HA -0.054 4.304 4.350 0.013 0.000 0.191 121 E C 1.942 178.555 176.600 0.022 0.000 0.982 121 E CA 0.316 56.729 56.400 0.021 0.000 0.809 121 E CB -0.172 29.535 29.700 0.012 0.000 0.756 121 E HN 0.296 nan 8.360 nan 0.000 0.459 122 M N 0.597 120.213 119.600 0.027 0.000 2.086 122 M HA -0.229 4.259 4.480 0.013 0.000 0.261 122 M C 1.323 177.640 176.300 0.029 0.000 1.067 122 M CA 1.748 57.061 55.300 0.021 0.000 1.116 122 M CB -0.010 32.608 32.600 0.031 0.000 1.348 122 M HN 0.031 nan 8.290 nan 0.000 0.407 123 D N 0.195 120.643 120.400 0.079 0.000 2.104 123 D HA -0.146 4.502 4.640 0.013 0.000 0.194 123 D C 1.874 178.230 176.300 0.093 0.000 0.994 123 D CA 1.776 55.860 54.000 0.139 0.000 0.830 123 D CB 0.035 40.931 40.800 0.159 0.000 0.959 123 D HN 0.549 nan 8.370 nan 0.000 0.452 124 A N 1.177 124.034 122.820 0.060 0.000 1.930 124 A HA -0.162 4.166 4.320 0.013 0.000 0.217 124 A C 2.180 179.780 177.584 0.027 0.000 1.175 124 A CA 0.906 52.971 52.037 0.045 0.000 0.627 124 A CB -0.262 18.757 19.000 0.032 0.000 0.815 124 A HN 0.022 nan 8.150 nan 0.000 0.443 125 R N -0.040 120.466 120.500 0.011 0.000 2.073 125 R HA -0.085 4.263 4.340 0.013 0.000 0.234 125 R C 2.095 178.383 176.300 -0.019 0.000 1.134 125 R CA 1.750 57.847 56.100 -0.005 0.000 0.952 125 R CB -0.968 29.325 30.300 -0.012 0.000 0.850 125 R HN 0.375 nan 8.270 nan 0.000 0.433 126 V N 1.322 121.200 119.914 -0.061 0.000 2.295 126 V HA -0.236 3.892 4.120 0.013 0.000 0.246 126 V C 2.516 178.576 176.094 -0.057 0.000 1.049 126 V CA 1.912 64.126 62.300 -0.143 0.000 1.024 126 V CB -0.478 31.087 31.823 -0.431 0.000 0.648 126 V HN 0.357 nan 8.190 nan 0.000 0.447 127 R N -0.249 120.262 120.500 0.018 0.000 2.120 127 R HA -0.191 4.157 4.340 0.013 0.000 0.234 127 R C 2.344 178.685 176.300 0.068 0.000 1.123 127 R CA 1.511 57.655 56.100 0.074 0.000 0.975 127 R CB -0.328 30.034 30.300 0.102 0.000 0.866 127 R HN 0.649 nan 8.270 nan 0.000 0.446 128 E N 1.284 121.516 120.200 0.053 0.000 2.031 128 E HA -0.193 4.165 4.350 0.013 0.000 0.193 128 E C 2.013 178.677 176.600 0.108 0.000 0.994 128 E CA 1.103 57.541 56.400 0.063 0.000 0.800 128 E CB 0.003 29.721 29.700 0.029 0.000 0.752 128 E HN 0.271 nan 8.360 nan 0.000 0.447 129 L N 0.706 121.983 121.223 0.090 0.000 2.046 129 L HA -0.212 4.136 4.340 0.013 0.000 0.208 129 L C 2.680 179.656 176.870 0.176 0.000 1.077 129 L CA 0.852 55.781 54.840 0.148 0.000 0.747 129 L CB -0.392 41.720 42.059 0.087 0.000 0.896 129 L HN 0.251 nan 8.230 nan 0.000 0.432 130 L N -0.694 120.593 121.223 0.107 0.000 2.046 130 L HA -0.221 4.127 4.340 0.013 0.000 0.208 130 L C 2.808 179.745 176.870 0.112 0.000 1.077 130 L CA 1.382 56.282 54.840 0.101 0.000 0.747 130 L CB -0.494 41.613 42.059 0.079 0.000 0.896 130 L HN 0.217 nan 8.230 nan 0.000 0.432 131 R N -0.958 119.615 120.500 0.121 0.000 2.073 131 R HA -0.147 4.201 4.340 0.013 0.000 0.229 131 R C 2.261 178.651 176.300 0.151 0.000 1.120 131 R CA 1.285 57.452 56.100 0.112 0.000 0.967 131 R CB -0.406 29.956 30.300 0.103 0.000 0.862 131 R HN 0.161 nan 8.270 nan 0.000 0.436 132 F N 1.112 121.103 119.950 0.068 0.000 2.126 132 F HA -0.121 4.414 4.527 0.013 0.000 0.299 132 F C 1.614 177.501 175.800 0.145 0.000 1.096 132 F CA 1.538 59.589 58.000 0.085 0.000 1.255 132 F CB -0.056 38.985 39.000 0.067 0.000 0.997 132 F HN -0.113 nan 8.300 nan 0.000 0.479 133 M N 0.609 120.211 119.600 0.004 0.000 2.581 133 M HA 0.138 4.626 4.480 0.013 0.000 0.224 133 M C -0.192 176.090 176.300 -0.029 0.000 1.171 133 M CA 0.175 55.481 55.300 0.011 0.000 0.993 133 M CB 0.056 32.800 32.600 0.241 0.000 1.685 133 M HN -0.060 nan 8.290 nan 0.000 0.479 134 R N 0.170 120.652 120.500 -0.029 0.000 3.422 134 R HA -0.175 4.173 4.340 0.013 0.000 0.267 134 R C -0.340 176.000 176.300 0.067 0.000 1.074 134 R CA 0.634 56.726 56.100 -0.013 0.000 0.718 134 R CB -2.820 27.431 30.300 -0.081 0.000 1.157 134 R HN 0.483 nan 8.270 nan 0.000 0.440 135 L N 0.410 121.692 121.223 0.099 0.000 3.122 135 L HA 0.061 4.409 4.340 0.013 0.000 0.274 135 L C 2.066 179.014 176.870 0.131 0.000 1.222 135 L CA -0.218 54.740 54.840 0.197 0.000 1.028 135 L CB 0.284 42.420 42.059 0.129 0.000 1.386 135 L HN 0.107 nan 8.230 nan 0.000 0.578 136 E N 0.401 120.629 120.200 0.047 0.000 2.047 136 E HA -0.198 4.160 4.350 0.013 0.000 0.191 136 E C 1.827 178.368 176.600 -0.098 0.000 0.987 136 E CA 1.893 58.294 56.400 0.001 0.000 0.799 136 E CB -0.583 29.116 29.700 -0.003 0.000 0.752 136 E HN 0.402 nan 8.360 nan 0.000 0.449 137 S N -0.430 115.117 115.700 -0.255 0.000 2.537 137 S HA -0.100 4.378 4.470 0.013 0.000 0.240 137 S C 1.108 175.310 174.600 -0.663 0.000 0.981 137 S CA 0.565 58.474 58.200 -0.486 0.000 0.948 137 S CB -0.690 62.122 63.200 -0.646 0.000 0.759 137 S HN 0.381 nan 8.310 nan 0.000 0.531 138 Y N 0.238 120.518 120.300 -0.034 0.000 2.531 138 Y HA 0.615 5.173 4.550 0.013 0.000 0.249 138 Y C 2.258 178.128 175.900 -0.050 0.000 1.168 138 Y CA -0.339 57.732 58.100 -0.049 0.000 1.226 138 Y CB -0.243 38.181 38.460 -0.060 0.000 1.177 138 Y HN 0.297 nan 8.280 nan 0.000 0.527 139 A N 1.730 124.582 122.820 0.053 0.000 1.892 139 A HA -0.297 4.031 4.320 0.013 0.000 0.218 139 A C 1.764 179.350 177.584 0.002 0.000 1.188 139 A CA 2.374 54.452 52.037 0.069 0.000 0.631 139 A CB -0.737 18.322 19.000 0.098 0.000 0.822 139 A HN 0.603 nan 8.150 nan 0.000 0.447 140 N N -0.897 117.773 118.700 -0.051 0.000 2.313 140 N HA 0.055 4.803 4.740 0.013 0.000 0.207 140 N C 0.087 175.482 175.510 -0.192 0.000 1.141 140 N CA -0.124 52.852 53.050 -0.124 0.000 0.830 140 N CB 0.047 38.485 38.487 -0.082 0.000 1.008 140 N HN 0.193 nan 8.380 nan 0.000 0.481 141 R N 0.022 120.430 120.500 -0.154 0.000 2.573 141 R HA 0.421 4.769 4.340 0.013 0.000 0.272 141 R C -0.456 175.644 176.300 -0.333 0.000 1.009 141 R CA -0.722 55.297 56.100 -0.136 0.000 1.059 141 R CB 0.257 30.576 30.300 0.032 0.000 1.112 141 R HN 0.069 nan 8.270 nan 0.000 0.517 142 F N 1.003 120.923 119.950 -0.050 0.000 2.399 142 F HA 0.308 4.843 4.527 0.013 0.000 0.328 142 F C -1.024 174.708 175.800 -0.114 0.000 1.084 142 F CA -2.111 55.869 58.000 -0.033 0.000 1.053 142 F CB 0.645 39.679 39.000 0.057 0.000 1.209 142 F HN 0.335 nan 8.300 nan 0.000 0.502 143 P HA -0.264 nan 4.420 nan 0.000 0.218 143 P C 1.558 178.867 177.300 0.014 0.000 1.154 143 P CA 2.018 65.131 63.100 0.022 0.000 0.872 143 P CB -0.311 31.404 31.700 0.024 0.000 0.790 144 H N -0.510 118.605 119.070 0.075 0.000 2.518 144 H HA 0.003 4.568 4.556 0.014 0.000 0.289 144 H C 1.060 176.419 175.328 0.052 0.000 1.051 144 H CA 1.019 57.097 56.048 0.049 0.000 1.280 144 H CB -0.562 29.229 29.762 0.049 0.000 1.380 144 H HN 0.258 nan 8.280 nan 0.000 0.566 145 E N 0.858 120.787 120.200 -0.451 0.000 2.478 145 E HA 0.196 4.554 4.350 0.013 0.000 0.194 145 E C 0.304 176.831 176.600 -0.122 0.000 1.045 145 E CA -0.121 56.112 56.400 -0.279 0.000 0.868 145 E CB 0.502 30.051 29.700 -0.252 0.000 0.885 145 E HN 0.449 nan 8.360 nan 0.000 0.505 146 L N 0.739 121.883 121.223 -0.132 0.000 2.334 146 L HA 0.296 4.644 4.340 0.013 0.000 0.270 146 L C 0.650 177.436 176.870 -0.140 0.000 1.018 146 L CA -1.011 53.720 54.840 -0.182 0.000 0.811 146 L CB 1.452 43.371 42.059 -0.233 0.000 1.271 146 L HN -0.058 nan 8.230 nan 0.000 0.443 147 S N -0.276 115.317 115.700 -0.178 0.000 2.614 147 S HA 0.188 4.666 4.470 0.013 0.000 0.265 147 S C 1.160 175.687 174.600 -0.121 0.000 1.303 147 S CA -0.171 57.951 58.200 -0.129 0.000 1.000 147 S CB 1.285 64.398 63.200 -0.145 0.000 0.935 147 S HN 0.803 nan 8.310 nan 0.000 0.551 148 G N 0.761 109.511 108.800 -0.083 0.000 2.442 148 G HA2 -0.027 3.941 3.960 0.013 0.000 0.219 148 G HA3 -0.027 3.941 3.960 0.013 0.000 0.219 148 G C 1.347 176.192 174.900 -0.093 0.000 1.141 148 G CA 0.615 45.678 45.100 -0.063 0.000 0.763 148 G HN 0.993 nan 8.290 nan 0.000 0.554 149 G N 0.371 109.090 108.800 -0.135 0.000 2.446 149 G HA2 -0.230 3.738 3.960 0.013 0.000 0.217 149 G HA3 -0.230 3.738 3.960 0.013 0.000 0.217 149 G C 1.810 176.587 174.900 -0.206 0.000 1.168 149 G CA 1.163 46.151 45.100 -0.186 0.000 0.771 149 G HN 0.525 nan 8.290 nan 0.000 0.551 150 Q N -0.298 119.360 119.800 -0.238 0.000 2.119 150 Q HA -0.078 4.270 4.340 0.013 0.000 0.201 150 Q C 2.718 178.605 176.000 -0.188 0.000 0.972 150 Q CA 1.142 56.775 55.803 -0.284 0.000 0.847 150 Q CB -0.145 28.325 28.738 -0.448 0.000 0.903 150 Q HN 0.573 nan 8.270 nan 0.000 0.433 151 Q N -0.073 119.642 119.800 -0.141 0.000 2.170 151 Q HA -0.176 4.172 4.340 0.013 0.000 0.203 151 Q C 2.075 178.050 176.000 -0.042 0.000 0.976 151 Q CA 0.835 56.584 55.803 -0.092 0.000 0.858 151 Q CB 0.131 28.828 28.738 -0.068 0.000 0.907 151 Q HN 0.345 nan 8.270 nan 0.000 0.433 152 Q N 0.206 120.004 119.800 -0.003 0.000 2.123 152 Q HA -0.067 4.281 4.340 0.013 0.000 0.199 152 Q C 1.924 178.008 176.000 0.140 0.000 0.966 152 Q CA 1.070 56.943 55.803 0.117 0.000 0.845 152 Q CB -0.087 28.755 28.738 0.173 0.000 0.907 152 Q HN 0.368 nan 8.270 nan 0.000 0.439 153 R N -0.078 120.455 120.500 0.055 0.000 2.096 153 R HA -0.055 4.293 4.340 0.013 0.000 0.235 153 R C 2.303 178.667 176.300 0.106 0.000 1.127 153 R CA 1.160 57.339 56.100 0.131 0.000 0.968 153 R CB -0.351 29.905 30.300 -0.073 0.000 0.861 153 R HN 0.083 nan 8.270 nan 0.000 0.440 154 V N 1.093 121.014 119.914 0.011 0.000 2.427 154 V HA -0.192 3.936 4.120 0.013 0.000 0.248 154 V C 2.506 178.572 176.094 -0.045 0.000 1.051 154 V CA 1.836 64.122 62.300 -0.022 0.000 1.048 154 V CB -0.657 31.122 31.823 -0.074 0.000 0.666 154 V HN 0.353 nan 8.190 nan 0.000 0.456 155 A N -0.022 122.768 122.820 -0.051 0.000 1.902 155 A HA -0.183 4.145 4.320 0.013 0.000 0.217 155 A C 2.150 179.729 177.584 -0.009 0.000 1.181 155 A CA 1.985 53.959 52.037 -0.104 0.000 0.623 155 A CB -0.540 18.419 19.000 -0.068 0.000 0.818 155 A HN 0.450 nan 8.150 nan 0.000 0.443 156 L N -0.341 120.948 121.223 0.109 0.000 2.093 156 L HA 0.001 4.349 4.340 0.013 0.000 0.208 156 L C 2.588 179.526 176.870 0.113 0.000 1.085 156 L CA 1.991 56.924 54.840 0.155 0.000 0.755 156 L CB -0.765 41.467 42.059 0.288 0.000 0.904 156 L HN 0.332 nan 8.230 nan 0.000 0.435 157 A N -0.231 122.651 122.820 0.103 0.000 1.898 157 A HA -0.236 4.093 4.320 0.013 0.000 0.216 157 A C 2.537 180.142 177.584 0.035 0.000 1.181 157 A CA 1.683 53.771 52.037 0.084 0.000 0.620 157 A CB -0.646 18.400 19.000 0.075 0.000 0.819 157 A HN 0.512 nan 8.150 nan 0.000 0.442 158 R N -0.248 120.245 120.500 -0.011 0.000 2.083 158 R HA -0.126 4.222 4.340 0.013 0.000 0.237 158 R C 2.245 178.561 176.300 0.026 0.000 1.137 158 R CA 1.650 57.738 56.100 -0.021 0.000 0.951 158 R CB -0.458 29.752 30.300 -0.150 0.000 0.851 158 R HN 0.410 nan 8.270 nan 0.000 0.434 159 A N 0.828 123.658 122.820 0.016 0.000 1.933 159 A HA -0.097 4.231 4.320 0.013 0.000 0.218 159 A C 2.158 179.765 177.584 0.038 0.000 1.175 159 A CA 1.193 53.251 52.037 0.036 0.000 0.628 159 A CB -0.384 18.615 19.000 -0.002 0.000 0.814 159 A HN 0.383 nan 8.150 nan 0.000 0.444 160 L N -1.182 120.067 121.223 0.045 0.000 2.341 160 L HA -0.024 4.324 4.340 0.013 0.000 0.214 160 L C 2.977 179.868 176.870 0.034 0.000 1.115 160 L CA 0.496 55.364 54.840 0.046 0.000 0.820 160 L CB -0.539 41.560 42.059 0.066 0.000 0.944 160 L HN 0.431 nan 8.230 nan 0.000 0.452 161 A N 1.563 124.404 122.820 0.035 0.000 1.894 161 A HA -0.216 4.112 4.320 0.013 0.000 0.220 161 A C -0.261 177.332 177.584 0.015 0.000 1.237 161 A CA 2.243 54.293 52.037 0.021 0.000 0.660 161 A CB -2.032 16.982 19.000 0.024 0.000 0.835 161 A HN 0.286 nan 8.150 nan 0.000 0.461 162 P HA 0.041 nan 4.420 nan 0.000 0.239 162 P C 0.319 177.625 177.300 0.010 0.000 1.184 162 P CA 0.823 63.932 63.100 0.014 0.000 0.760 162 P CB 0.003 31.716 31.700 0.022 0.000 0.884 163 R N -2.477 118.030 120.500 0.011 0.000 3.246 163 R HA -0.099 4.249 4.340 0.013 0.000 0.260 163 R C -2.256 174.052 176.300 0.014 0.000 1.034 163 R CA -0.106 55.997 56.100 0.006 0.000 0.691 163 R CB -2.539 27.760 30.300 -0.002 0.000 1.186 163 R HN 0.174 nan 8.270 nan 0.000 0.416 164 P HA -0.011 nan 4.420 nan 0.000 0.269 164 P C 0.373 177.695 177.300 0.037 0.000 1.215 164 P CA -0.169 62.948 63.100 0.028 0.000 0.780 164 P CB 0.670 32.388 31.700 0.030 0.000 0.898 165 Q N -0.066 119.760 119.800 0.043 0.000 2.123 165 Q HA 0.045 4.393 4.340 0.013 0.000 0.196 165 Q C 0.003 176.051 176.000 0.080 0.000 0.958 165 Q CA 0.950 56.786 55.803 0.055 0.000 0.841 165 Q CB 0.218 28.990 28.738 0.057 0.000 0.915 165 Q HN 0.253 nan 8.270 nan 0.000 0.455 166 V N 1.141 121.106 119.914 0.086 0.000 2.680 166 V HA 0.315 4.443 4.120 0.013 0.000 0.309 166 V C -0.979 175.176 176.094 0.102 0.000 1.052 166 V CA -0.777 61.592 62.300 0.115 0.000 0.908 166 V CB 1.966 33.864 31.823 0.125 0.000 1.001 166 V HN 0.084 nan 8.190 nan 0.000 0.431 167 L N 5.331 126.640 121.223 0.142 0.000 2.325 167 L HA 0.628 4.976 4.340 0.013 0.000 0.281 167 L C -0.787 176.150 176.870 0.112 0.000 1.004 167 L CA 0.018 54.912 54.840 0.090 0.000 0.823 167 L CB 1.338 43.514 42.059 0.196 0.000 1.236 167 L HN 0.521 nan 8.230 nan 0.000 0.415 168 L N 5.205 126.425 121.223 -0.006 0.000 2.313 168 L HA 0.517 4.865 4.340 0.013 0.000 0.283 168 L C -1.163 175.710 176.870 0.006 0.000 1.013 168 L CA -0.439 54.484 54.840 0.138 0.000 0.816 168 L CB 1.307 43.535 42.059 0.282 0.000 1.236 168 L HN 0.402 nan 8.230 nan 0.000 0.419 169 F N 1.195 121.237 119.950 0.154 0.000 2.426 169 F HA 0.268 4.803 4.527 0.014 0.000 0.348 169 F C 0.256 175.949 175.800 -0.178 0.000 1.124 169 F CA -0.735 57.280 58.000 0.025 0.000 1.008 169 F CB 1.440 40.417 39.000 -0.039 0.000 1.139 169 F HN 0.352 nan 8.300 nan 0.000 0.452 170 D N 4.055 124.269 120.400 -0.310 0.000 2.505 170 D HA 0.112 4.760 4.640 0.013 0.000 0.242 170 D C 0.232 176.374 176.300 -0.263 0.000 1.136 170 D CA -0.264 53.432 54.000 -0.508 0.000 0.954 170 D CB 0.008 40.066 40.800 -1.237 0.000 1.002 170 D HN 0.724 nan 8.370 nan 0.000 0.512 171 E N 1.128 121.234 120.200 -0.157 0.000 2.238 171 E HA -0.214 4.144 4.350 0.013 0.000 0.219 171 E C -1.568 174.942 176.600 -0.149 0.000 1.275 171 E CA 0.272 56.589 56.400 -0.138 0.000 0.714 171 E CB -1.289 28.369 29.700 -0.069 0.000 1.154 171 E HN 0.355 nan 8.360 nan 0.000 0.363 172 P HA -0.159 nan 4.420 nan 0.000 0.225 172 P C 0.534 177.860 177.300 0.044 0.000 1.148 172 P CA 1.042 64.048 63.100 -0.156 0.000 0.779 172 P CB -0.185 31.390 31.700 -0.209 0.000 0.780 173 F N -0.499 119.484 119.950 0.054 0.000 2.693 173 F HA 0.350 4.885 4.527 0.013 0.000 0.303 173 F C 1.581 177.392 175.800 0.018 0.000 1.097 173 F CA -1.062 56.953 58.000 0.026 0.000 1.330 173 F CB 0.046 39.045 39.000 -0.003 0.000 1.067 173 F HN -0.128 nan 8.300 nan 0.000 0.565 174 A N 0.711 123.627 122.820 0.161 0.000 2.406 174 A HA 0.506 4.834 4.320 0.013 0.000 0.243 174 A C 1.369 179.017 177.584 0.107 0.000 1.082 174 A CA 0.428 52.535 52.037 0.116 0.000 0.786 174 A CB 0.006 19.060 19.000 0.090 0.000 1.029 174 A HN 0.848 nan 8.150 nan 0.000 0.495 175 A N -0.500 122.370 122.820 0.085 0.000 2.899 175 A HA -0.168 4.161 4.320 0.013 0.000 0.257 175 A C 0.168 177.787 177.584 0.059 0.000 1.335 175 A CA 1.252 53.329 52.037 0.066 0.000 0.924 175 A CB -2.481 16.557 19.000 0.063 0.000 1.105 175 A HN 1.767 nan 8.150 nan 0.000 0.765 176 I N 0.197 120.807 120.570 0.065 0.000 2.648 176 I HA 0.622 4.800 4.170 0.013 0.000 0.304 176 I C -0.168 175.961 176.117 0.020 0.000 1.009 176 I CA -0.794 60.530 61.300 0.040 0.000 1.114 176 I CB 1.326 39.355 38.000 0.049 0.000 1.293 176 I HN 0.207 nan 8.210 nan 0.000 0.449 177 D N 3.549 123.946 120.400 -0.004 0.000 2.382 177 D HA 0.127 4.776 4.640 0.013 0.000 0.245 177 D C 1.155 177.445 176.300 -0.016 0.000 1.120 177 D CA 0.249 54.244 54.000 -0.009 0.000 0.890 177 D CB 1.238 42.026 40.800 -0.021 0.000 1.201 177 D HN 0.599 nan 8.370 nan 0.000 0.433 178 T N 1.449 115.999 114.554 -0.008 0.000 2.653 178 T HA -0.288 4.070 4.350 0.013 0.000 0.268 178 T C 1.675 176.357 174.700 -0.030 0.000 1.035 178 T CA 1.634 63.727 62.100 -0.010 0.000 1.154 178 T CB -0.083 68.782 68.868 -0.004 0.000 0.862 178 T HN 0.497 nan 8.240 nan 0.000 0.441 179 Q N 0.112 119.890 119.800 -0.037 0.000 2.079 179 Q HA -0.041 4.307 4.340 0.013 0.000 0.200 179 Q C 2.325 178.280 176.000 -0.075 0.000 0.974 179 Q CA 1.225 56.998 55.803 -0.049 0.000 0.840 179 Q CB -0.222 28.490 28.738 -0.044 0.000 0.898 179 Q HN 0.558 nan 8.270 nan 0.000 0.430 180 I N 0.071 120.589 120.570 -0.086 0.000 2.353 180 I HA -0.222 3.956 4.170 0.013 0.000 0.248 180 I C 2.669 178.677 176.117 -0.181 0.000 1.119 180 I CA 0.764 61.986 61.300 -0.130 0.000 1.417 180 I CB -0.264 37.662 38.000 -0.124 0.000 1.078 180 I HN 0.187 nan 8.210 nan 0.000 0.421 181 R N 1.147 121.563 120.500 -0.139 0.000 2.091 181 R HA -0.164 4.184 4.340 0.013 0.000 0.238 181 R C 2.454 178.663 176.300 -0.150 0.000 1.136 181 R CA 1.527 57.536 56.100 -0.150 0.000 0.959 181 R CB -0.063 30.222 30.300 -0.025 0.000 0.856 181 R HN 0.280 nan 8.270 nan 0.000 0.437 182 R N 0.020 120.459 120.500 -0.100 0.000 2.092 182 R HA -0.105 4.244 4.340 0.013 0.000 0.231 182 R C 2.151 178.391 176.300 -0.101 0.000 1.119 182 R CA 1.658 57.709 56.100 -0.083 0.000 0.970 182 R CB -0.125 30.141 30.300 -0.057 0.000 0.864 182 R HN 0.420 nan 8.270 nan 0.000 0.440 183 E N 0.740 120.867 120.200 -0.121 0.000 2.106 183 E HA -0.138 4.220 4.350 0.013 0.000 0.192 183 E C 2.091 178.611 176.600 -0.134 0.000 0.984 183 E CA 0.779 57.109 56.400 -0.115 0.000 0.806 183 E CB -0.039 29.582 29.700 -0.132 0.000 0.750 183 E HN 0.267 nan 8.360 nan 0.000 0.458 184 L N 1.102 122.173 121.223 -0.253 0.000 2.017 184 L HA -0.220 4.128 4.340 0.013 0.000 0.208 184 L C 2.793 179.555 176.870 -0.181 0.000 1.073 184 L CA 1.655 56.277 54.840 -0.364 0.000 0.745 184 L CB -0.483 40.962 42.059 -1.023 0.000 0.894 184 L HN 0.174 nan 8.230 nan 0.000 0.432 185 R N -0.930 119.480 120.500 -0.149 0.000 2.120 185 R HA -0.130 4.218 4.340 0.013 0.000 0.234 185 R C 1.905 178.158 176.300 -0.077 0.000 1.123 185 R CA 1.822 57.881 56.100 -0.068 0.000 0.975 185 R CB -1.100 29.145 30.300 -0.091 0.000 0.866 185 R HN 0.120 nan 8.270 nan 0.000 0.446 186 T N 0.756 115.283 114.554 -0.045 0.000 2.867 186 T HA -0.094 4.265 4.350 0.013 0.000 0.268 186 T C 1.128 175.851 174.700 0.040 0.000 1.057 186 T CA 1.246 63.336 62.100 -0.016 0.000 1.136 186 T CB -0.266 68.597 68.868 -0.009 0.000 0.874 186 T HN 0.268 nan 8.240 nan 0.000 0.466 187 F N 1.750 121.641 119.950 -0.098 0.000 2.128 187 F HA -0.015 4.520 4.527 0.013 0.000 0.295 187 F C 2.196 177.982 175.800 -0.022 0.000 1.100 187 F CA 0.518 58.472 58.000 -0.076 0.000 1.260 187 F CB -0.750 38.184 39.000 -0.109 0.000 1.009 187 F HN -0.109 nan 8.300 nan 0.000 0.476 188 V N 0.915 120.742 119.914 -0.145 0.000 2.392 188 V HA -0.312 3.816 4.120 0.013 0.000 0.249 188 V C 2.573 178.556 176.094 -0.186 0.000 1.059 188 V CA 2.256 64.429 62.300 -0.213 0.000 1.051 188 V CB -0.766 30.946 31.823 -0.184 0.000 0.658 188 V HN 0.266 nan 8.190 nan 0.000 0.455 189 R N 0.402 120.812 120.500 -0.150 0.000 2.066 189 R HA -0.188 4.160 4.340 0.013 0.000 0.232 189 R C 2.395 178.695 176.300 0.000 0.000 1.131 189 R CA 2.175 58.227 56.100 -0.080 0.000 0.955 189 R CB -0.715 29.535 30.300 -0.083 0.000 0.851 189 R HN 0.652 nan 8.270 nan 0.000 0.432 190 Q N -0.309 119.470 119.800 -0.035 0.000 2.096 190 Q HA -0.129 4.219 4.340 0.013 0.000 0.204 190 Q C 1.804 177.836 176.000 0.054 0.000 0.982 190 Q CA 2.018 57.830 55.803 0.015 0.000 0.850 190 Q CB -0.009 28.741 28.738 0.020 0.000 0.901 190 Q HN 0.286 nan 8.270 nan 0.000 0.422 191 V N 0.493 120.358 119.914 -0.081 0.000 2.295 191 V HA -0.287 3.841 4.120 0.013 0.000 0.246 191 V C 2.272 178.431 176.094 0.108 0.000 1.049 191 V CA 2.327 64.674 62.300 0.078 0.000 1.024 191 V CB -0.892 30.826 31.823 -0.175 0.000 0.648 191 V HN 0.599 nan 8.190 nan 0.000 0.447 192 H N 0.643 119.712 119.070 -0.002 0.000 2.319 192 H HA -0.217 4.348 4.556 0.013 0.000 0.297 192 H C 1.995 177.337 175.328 0.024 0.000 1.097 192 H CA 2.354 58.419 56.048 0.029 0.000 1.285 192 H CB -0.212 29.559 29.762 0.015 0.000 1.368 192 H HN 0.405 nan 8.280 nan 0.000 0.495 193 D N -0.470 119.963 120.400 0.055 0.000 2.218 193 D HA -0.119 4.529 4.640 0.013 0.000 0.204 193 D C 2.142 178.404 176.300 -0.063 0.000 0.976 193 D CA 1.268 55.264 54.000 -0.006 0.000 0.853 193 D CB -0.179 40.669 40.800 0.079 0.000 0.939 193 D HN 0.535 nan 8.370 nan 0.000 0.481 194 E N 0.033 120.214 120.200 -0.031 0.000 2.033 194 E HA -0.044 4.314 4.350 0.013 0.000 0.189 194 E C 1.843 178.328 176.600 -0.192 0.000 0.979 194 E CA 0.800 57.143 56.400 -0.096 0.000 0.802 194 E CB -0.059 29.588 29.700 -0.089 0.000 0.763 194 E HN -0.015 nan 8.360 nan 0.000 0.449 195 M N -0.416 119.067 119.600 -0.196 0.000 2.549 195 M HA 0.141 4.630 4.480 0.013 0.000 0.260 195 M C 1.422 177.623 176.300 -0.165 0.000 1.076 195 M CA 1.276 56.467 55.300 -0.183 0.000 1.090 195 M CB -1.032 31.498 32.600 -0.116 0.000 1.418 195 M HN 0.388 nan 8.290 nan 0.000 0.486 196 G N 1.045 109.711 108.800 -0.224 0.000 2.203 196 G HA2 -0.222 3.746 3.960 0.013 0.000 0.263 196 G HA3 -0.222 3.746 3.960 0.013 0.000 0.263 196 G C 0.343 175.137 174.900 -0.177 0.000 1.012 196 G CA 0.381 45.353 45.100 -0.214 0.000 0.749 196 G HN 0.379 nan 8.290 nan 0.000 0.512 197 V N -0.435 119.367 119.914 -0.186 0.000 3.489 197 V HA 0.591 4.719 4.120 0.013 0.000 0.297 197 V C 1.141 177.278 176.094 0.071 0.000 1.071 197 V CA 0.247 62.529 62.300 -0.029 0.000 1.074 197 V CB 1.260 33.110 31.823 0.045 0.000 1.188 197 V HN 0.271 nan 8.190 nan 0.000 0.458 198 T N 1.510 116.168 114.554 0.174 0.000 2.767 198 T HA 0.497 4.855 4.350 0.013 0.000 0.284 198 T C -0.297 174.585 174.700 0.304 0.000 0.973 198 T CA -0.186 62.066 62.100 0.253 0.000 0.996 198 T CB 0.960 69.938 68.868 0.182 0.000 0.927 198 T HN 0.662 nan 8.240 nan 0.000 0.456 199 S N 2.050 117.959 115.700 0.350 0.000 2.526 199 S HA 0.737 5.215 4.470 0.013 0.000 0.293 199 S C -0.693 174.062 174.600 0.259 0.000 1.092 199 S CA -0.749 57.655 58.200 0.339 0.000 0.980 199 S CB 1.645 65.072 63.200 0.379 0.000 1.048 199 S HN 0.497 nan 8.310 nan 0.000 0.483 200 V N 3.728 123.824 119.914 0.303 0.000 2.638 200 V HA 0.708 4.836 4.120 0.013 0.000 0.306 200 V C -0.990 175.288 176.094 0.308 0.000 1.052 200 V CA -0.857 61.548 62.300 0.175 0.000 0.885 200 V CB 1.059 32.924 31.823 0.071 0.000 0.999 200 V HN 0.869 nan 8.190 nan 0.000 0.424 201 F N 2.633 122.609 119.950 0.045 0.000 2.588 201 F HA 0.944 5.479 4.527 0.013 0.000 0.314 201 F C -0.926 174.845 175.800 -0.048 0.000 1.069 201 F CA -1.309 56.708 58.000 0.029 0.000 0.931 201 F CB 1.675 40.629 39.000 -0.077 0.000 1.260 201 F HN 0.213 nan 8.300 nan 0.000 0.465 202 V N 1.421 121.365 119.914 0.051 0.000 2.532 202 V HA 0.753 4.881 4.120 0.013 0.000 0.295 202 V C -0.289 175.822 176.094 0.027 0.000 1.041 202 V CA -0.091 62.173 62.300 -0.061 0.000 0.926 202 V CB 1.627 33.405 31.823 -0.076 0.000 0.992 202 V HN 1.046 nan 8.190 nan 0.000 0.457 203 T N 2.008 116.551 114.554 -0.018 0.000 2.957 203 T HA 0.397 4.755 4.350 0.013 0.000 0.336 203 T C -0.382 174.337 174.700 0.032 0.000 1.462 203 T CA -0.406 61.683 62.100 -0.019 0.000 1.073 203 T CB 0.949 69.882 68.868 0.108 0.000 1.319 203 T HN 0.994 nan 8.240 nan 0.000 0.485 204 H N 1.119 120.257 119.070 0.113 0.000 2.672 204 H HA 0.499 5.063 4.556 0.013 0.000 0.277 204 H C -0.153 175.224 175.328 0.082 0.000 1.074 204 H CA -0.478 55.670 56.048 0.166 0.000 1.173 204 H CB 0.337 30.190 29.762 0.152 0.000 1.558 204 H HN 0.287 nan 8.280 nan 0.000 0.539 205 D N 1.706 122.095 120.400 -0.019 0.000 2.454 205 D HA 0.014 4.662 4.640 0.013 0.000 0.225 205 D C 1.038 177.313 176.300 -0.041 0.000 1.081 205 D CA -0.462 53.522 54.000 -0.027 0.000 0.864 205 D CB 1.318 42.081 40.800 -0.061 0.000 1.040 205 D HN 0.500 nan 8.370 nan 0.000 0.517 206 Q N 2.715 122.433 119.800 -0.137 0.000 2.170 206 Q HA -0.161 4.187 4.340 0.013 0.000 0.203 206 Q C 1.476 177.457 176.000 -0.032 0.000 0.976 206 Q CA 1.355 57.093 55.803 -0.108 0.000 0.858 206 Q CB -0.165 28.428 28.738 -0.241 0.000 0.907 206 Q HN 0.516 nan 8.270 nan 0.000 0.433 207 E N 0.919 121.099 120.200 -0.034 0.000 2.077 207 E HA -0.269 4.089 4.350 0.013 0.000 0.193 207 E C 1.956 178.558 176.600 0.004 0.000 0.989 207 E CA 1.375 57.769 56.400 -0.010 0.000 0.800 207 E CB -0.018 29.676 29.700 -0.009 0.000 0.746 207 E HN 0.705 nan 8.360 nan 0.000 0.452 208 E N -0.007 120.200 120.200 0.012 0.000 2.077 208 E HA -0.198 4.160 4.350 0.013 0.000 0.193 208 E C 1.930 178.589 176.600 0.098 0.000 0.989 208 E CA 1.058 57.472 56.400 0.025 0.000 0.800 208 E CB -0.101 29.614 29.700 0.025 0.000 0.746 208 E HN 0.256 nan 8.360 nan 0.000 0.452 209 A N 1.138 124.047 122.820 0.147 0.000 1.877 209 A HA -0.147 4.181 4.320 0.013 0.000 0.216 209 A C 2.226 179.885 177.584 0.125 0.000 1.186 209 A CA 1.256 53.416 52.037 0.205 0.000 0.620 209 A CB -0.697 18.364 19.000 0.101 0.000 0.822 209 A HN 0.321 nan 8.150 nan 0.000 0.443 210 L N -0.907 120.352 121.223 0.060 0.000 2.083 210 L HA -0.198 4.150 4.340 0.013 0.000 0.209 210 L C 2.613 179.488 176.870 0.009 0.000 1.083 210 L CA 1.797 56.651 54.840 0.024 0.000 0.752 210 L CB -0.477 41.578 42.059 -0.006 0.000 0.899 210 L HN 0.609 nan 8.230 nan 0.000 0.433 211 E N 0.392 120.595 120.200 0.005 0.000 2.072 211 E HA -0.179 4.179 4.350 0.013 0.000 0.191 211 E C 1.857 178.441 176.600 -0.026 0.000 0.985 211 E CA 1.898 58.286 56.400 -0.019 0.000 0.801 211 E CB 0.195 29.876 29.700 -0.032 0.000 0.750 211 E HN 0.359 nan 8.360 nan 0.000 0.452 212 V N -2.701 117.201 119.914 -0.020 0.000 3.635 212 V HA 0.536 4.664 4.120 0.013 0.000 0.266 212 V C 0.793 176.895 176.094 0.013 0.000 1.316 212 V CA -0.016 62.246 62.300 -0.063 0.000 1.060 212 V CB 0.074 31.756 31.823 -0.236 0.000 0.820 212 V HN 0.259 nan 8.190 nan 0.000 0.447 213 A N 0.993 123.896 122.820 0.137 0.000 2.340 213 A HA 0.447 4.775 4.320 0.013 0.000 0.268 213 A C 0.899 178.512 177.584 0.047 0.000 1.100 213 A CA 0.202 52.330 52.037 0.151 0.000 0.803 213 A CB 0.317 19.422 19.000 0.175 0.000 1.043 213 A HN 0.358 nan 8.150 nan 0.000 0.488 214 D N 0.595 121.010 120.400 0.025 0.000 2.120 214 D HA 0.012 4.661 4.640 0.013 0.000 0.202 214 D C 0.495 176.776 176.300 -0.033 0.000 0.972 214 D CA 1.314 55.314 54.000 0.001 0.000 0.837 214 D CB 0.207 41.015 40.800 0.014 0.000 0.989 214 D HN 0.548 nan 8.370 nan 0.000 0.469 215 R N -0.295 120.182 120.500 -0.038 0.000 2.771 215 R HA 0.554 4.902 4.340 0.013 0.000 0.274 215 R C -1.240 175.063 176.300 0.006 0.000 0.987 215 R CA -0.667 55.373 56.100 -0.100 0.000 0.908 215 R CB 3.020 33.113 30.300 -0.345 0.000 1.213 215 R HN -0.222 nan 8.270 nan 0.000 0.468 216 V N 2.954 122.886 119.914 0.030 0.000 2.495 216 V HA 0.356 4.484 4.120 0.013 0.000 0.298 216 V C -0.719 175.502 176.094 0.212 0.000 1.031 216 V CA -0.837 61.504 62.300 0.068 0.000 0.871 216 V CB 1.740 33.586 31.823 0.039 0.000 0.988 216 V HN 0.490 nan 8.190 nan 0.000 0.432 217 L N 6.562 127.827 121.223 0.071 0.000 2.272 217 L HA 0.506 4.854 4.340 0.013 0.000 0.284 217 L C -0.250 176.578 176.870 -0.070 0.000 1.045 217 L CA 0.156 54.956 54.840 -0.066 0.000 0.842 217 L CB 1.183 42.926 42.059 -0.527 0.000 1.224 217 L HN 0.502 nan 8.230 nan 0.000 0.430 218 V N 6.045 125.973 119.914 0.024 0.000 2.455 218 V HA 0.291 4.419 4.120 0.013 0.000 0.273 218 V C 0.251 176.350 176.094 0.007 0.000 1.045 218 V CA -0.528 61.812 62.300 0.066 0.000 0.976 218 V CB 0.894 32.803 31.823 0.144 0.000 0.993 218 V HN 0.445 nan 8.190 nan 0.000 0.475 219 L N 4.933 126.141 121.223 -0.026 0.000 2.331 219 L HA 0.635 4.983 4.340 0.013 0.000 0.275 219 L C -0.248 176.527 176.870 -0.159 0.000 1.022 219 L CA -0.194 54.593 54.840 -0.088 0.000 0.812 219 L CB 1.441 43.440 42.059 -0.100 0.000 1.257 219 L HN 0.770 nan 8.230 nan 0.000 0.435 220 H N 3.198 122.036 119.070 -0.386 0.000 3.128 220 H HA 0.109 4.673 4.556 0.014 0.000 0.336 220 H C -0.475 174.613 175.328 -0.401 0.000 1.026 220 H CA -0.170 55.494 56.048 -0.639 0.000 1.376 220 H CB 1.342 30.390 29.762 -1.190 0.000 1.882 220 H HN 0.776 nan 8.280 nan 0.000 0.479 221 E N 3.021 122.851 120.200 -0.617 0.000 2.539 221 E HA -0.252 4.106 4.350 0.013 0.000 0.253 221 E C 0.867 177.317 176.600 -0.250 0.000 1.145 221 E CA 0.910 57.031 56.400 -0.465 0.000 0.738 221 E CB -1.246 28.099 29.700 -0.592 0.000 1.308 221 E HN 1.120 nan 8.360 nan 0.000 0.409 222 G N -0.477 108.216 108.800 -0.179 0.000 2.159 222 G HA2 -0.336 3.632 3.960 0.013 0.000 0.256 222 G HA3 -0.336 3.632 3.960 0.013 0.000 0.256 222 G C -0.123 174.739 174.900 -0.063 0.000 0.977 222 G CA 0.461 45.508 45.100 -0.087 0.000 0.652 222 G HN 0.437 nan 8.290 nan 0.000 0.531 223 N N -1.160 117.484 118.700 -0.094 0.000 2.292 223 N HA 0.591 5.339 4.740 0.013 0.000 0.303 223 N C -0.436 175.042 175.510 -0.052 0.000 1.140 223 N CA -0.889 52.128 53.050 -0.055 0.000 0.788 223 N CB 2.486 40.937 38.487 -0.060 0.000 1.361 223 N HN 0.030 nan 8.380 nan 0.000 0.489 224 V N 2.215 122.117 119.914 -0.021 0.000 2.427 224 V HA 0.039 4.167 4.120 0.013 0.000 0.268 224 V C 0.991 177.085 176.094 0.001 0.000 1.046 224 V CA 0.111 62.397 62.300 -0.023 0.000 0.970 224 V CB 0.747 32.565 31.823 -0.009 0.000 1.001 224 V HN 0.742 nan 8.190 nan 0.000 0.476 225 E N 3.250 123.454 120.200 0.007 0.000 2.122 225 E HA -0.004 4.354 4.350 0.013 0.000 0.190 225 E C 0.675 177.307 176.600 0.053 0.000 0.977 225 E CA 0.583 57.001 56.400 0.030 0.000 0.820 225 E CB 0.555 30.294 29.700 0.065 0.000 0.770 225 E HN 0.799 nan 8.360 nan 0.000 0.462 226 Q N -1.291 118.554 119.800 0.074 0.000 2.647 226 Q HA 0.295 4.643 4.340 0.013 0.000 0.283 226 Q C -2.069 174.042 176.000 0.185 0.000 0.943 226 Q CA -0.526 55.340 55.803 0.105 0.000 0.813 226 Q CB 1.475 30.256 28.738 0.072 0.000 1.477 226 Q HN -0.007 nan 8.270 nan 0.000 0.393 227 F N 1.800 121.738 119.950 -0.019 0.000 2.828 227 F HA 0.817 5.353 4.527 0.014 0.000 0.355 227 F C -0.793 174.993 175.800 -0.023 0.000 1.200 227 F CA 0.046 58.022 58.000 -0.041 0.000 1.062 227 F CB 1.341 40.317 39.000 -0.040 0.000 1.351 227 F HN 0.608 nan 8.300 nan 0.000 0.504 228 G N 2.060 110.788 108.800 -0.120 0.000 2.663 228 G HA2 0.489 4.457 3.960 0.013 0.000 0.299 228 G HA3 0.489 4.457 3.960 0.013 0.000 0.299 228 G C -0.835 173.975 174.900 -0.150 0.000 1.372 228 G CA -0.256 44.727 45.100 -0.195 0.000 0.781 228 G HN 0.632 nan 8.290 nan 0.000 0.491 229 T N -1.201 113.284 114.554 -0.116 0.000 2.813 229 T HA 0.388 4.746 4.350 0.013 0.000 0.297 229 T C -1.485 173.203 174.700 -0.019 0.000 1.036 229 T CA -0.751 61.307 62.100 -0.070 0.000 1.044 229 T CB 1.652 70.486 68.868 -0.056 0.000 0.993 229 T HN 0.101 nan 8.240 nan 0.000 0.535 230 P HA -0.113 nan 4.420 nan 0.000 0.216 230 P C 1.504 178.830 177.300 0.043 0.000 1.153 230 P CA 1.216 64.327 63.100 0.018 0.000 0.858 230 P CB 0.079 31.775 31.700 -0.007 0.000 0.789 231 E N -0.324 119.887 120.200 0.019 0.000 2.072 231 E HA -0.208 4.151 4.350 0.013 0.000 0.191 231 E C 1.862 178.512 176.600 0.084 0.000 0.985 231 E CA 0.995 57.422 56.400 0.046 0.000 0.801 231 E CB -0.171 29.537 29.700 0.013 0.000 0.750 231 E HN 0.255 nan 8.360 nan 0.000 0.452 232 E N -0.028 120.196 120.200 0.039 0.000 2.023 232 E HA -0.215 4.143 4.350 0.013 0.000 0.196 232 E C 2.276 178.902 176.600 0.044 0.000 1.003 232 E CA 1.998 58.415 56.400 0.028 0.000 0.809 232 E CB -0.131 29.562 29.700 -0.011 0.000 0.755 232 E HN 0.336 nan 8.360 nan 0.000 0.449 233 V N -0.992 118.951 119.914 0.049 0.000 2.594 233 V HA -0.231 3.897 4.120 0.013 0.000 0.253 233 V C 1.984 178.118 176.094 0.067 0.000 1.069 233 V CA 1.637 63.963 62.300 0.044 0.000 1.082 233 V CB -0.814 31.041 31.823 0.053 0.000 0.680 233 V HN 0.268 nan 8.190 nan 0.000 0.469 234 Y N 1.105 121.406 120.300 0.002 0.000 2.262 234 Y HA 0.114 4.672 4.550 0.012 0.000 0.295 234 Y C 2.636 178.603 175.900 0.112 0.000 1.121 234 Y CA 1.732 59.854 58.100 0.037 0.000 1.144 234 Y CB 0.300 38.778 38.460 0.030 0.000 1.043 234 Y HN 0.176 nan 8.280 nan 0.000 0.528 235 E N 0.267 120.652 120.200 0.308 0.000 2.276 235 E HA 0.024 4.382 4.350 0.013 0.000 0.193 235 E C 0.189 176.895 176.600 0.177 0.000 0.983 235 E CA 0.738 57.313 56.400 0.292 0.000 0.861 235 E CB 0.204 30.047 29.700 0.238 0.000 0.817 235 E HN 0.411 nan 8.360 nan 0.000 0.485 236 K N 1.699 122.123 120.400 0.041 0.000 3.163 236 K HA 0.233 4.561 4.320 0.013 0.000 0.186 236 K C -2.560 173.976 176.600 -0.107 0.000 1.111 236 K CA -1.461 54.802 56.287 -0.040 0.000 0.918 236 K CB 1.396 33.897 32.500 0.002 0.000 1.059 236 K HN -0.030 nan 8.250 nan 0.000 0.558 237 P HA -0.057 nan 4.420 nan 0.000 0.264 237 P C 0.697 177.978 177.300 -0.032 0.000 1.193 237 P CA 0.419 63.408 63.100 -0.185 0.000 0.763 237 P CB 1.265 32.749 31.700 -0.361 0.000 0.810 238 G N 2.779 111.576 108.800 -0.004 0.000 2.464 238 G HA2 -0.003 3.965 3.960 0.013 0.000 0.217 238 G HA3 -0.003 3.965 3.960 0.013 0.000 0.217 238 G C 0.494 175.456 174.900 0.103 0.000 1.138 238 G CA 0.809 45.945 45.100 0.060 0.000 0.793 238 G HN 0.710 nan 8.290 nan 0.000 0.539 239 T N -3.574 110.926 114.554 -0.090 0.000 2.841 239 T HA 0.431 4.789 4.350 0.013 0.000 0.296 239 T C 0.840 174.930 174.700 -1.015 0.000 1.166 239 T CA -0.476 61.421 62.100 -0.340 0.000 1.007 239 T CB 1.592 70.367 68.868 -0.155 0.000 1.253 239 T HN -0.014 nan 8.240 nan 0.000 0.511 240 L N 0.479 120.943 121.223 -1.264 0.000 2.083 240 L HA 0.156 4.504 4.340 0.013 0.000 0.209 240 L C 2.007 178.530 176.870 -0.578 0.000 1.083 240 L CA 1.758 55.885 54.840 -1.189 0.000 0.752 240 L CB -1.296 40.391 42.059 -0.620 0.000 0.899 240 L HN 0.777 nan 8.230 nan 0.000 0.433 241 F N -0.668 118.985 119.950 -0.494 0.000 2.102 241 F HA -0.204 4.332 4.527 0.015 0.000 0.298 241 F C 2.177 177.802 175.800 -0.292 0.000 1.105 241 F CA 2.061 59.809 58.000 -0.420 0.000 1.239 241 F CB -0.529 38.122 39.000 -0.581 0.000 0.991 241 F HN -0.066 nan 8.300 nan 0.000 0.474 242 V N 0.496 120.243 119.914 -0.279 0.000 2.343 242 V HA -0.300 3.828 4.120 0.013 0.000 0.247 242 V C 2.743 178.662 176.094 -0.292 0.000 1.051 242 V CA 1.753 63.918 62.300 -0.225 0.000 1.036 242 V CB -1.650 30.110 31.823 -0.105 0.000 0.654 242 V HN 0.480 nan 8.190 nan 0.000 0.451 243 A N -0.191 122.407 122.820 -0.371 0.000 1.933 243 A HA -0.181 4.147 4.320 0.013 0.000 0.218 243 A C 2.367 179.809 177.584 -0.237 0.000 1.175 243 A CA 2.262 54.117 52.037 -0.302 0.000 0.628 243 A CB -0.479 18.355 19.000 -0.276 0.000 0.814 243 A HN 0.549 nan 8.150 nan 0.000 0.444 244 S N -2.157 113.352 115.700 -0.319 0.000 2.524 244 S HA 0.152 4.631 4.470 0.013 0.000 0.216 244 S C 1.237 175.664 174.600 -0.288 0.000 0.987 244 S CA 0.339 58.368 58.200 -0.285 0.000 0.909 244 S CB -0.199 62.825 63.200 -0.293 0.000 0.781 244 S HN 0.562 nan 8.310 nan 0.000 0.521 245 F N 1.485 121.077 119.950 -0.597 0.000 2.656 245 F HA 0.406 4.941 4.527 0.014 0.000 0.291 245 F C 0.048 175.679 175.800 -0.283 0.000 1.122 245 F CA -0.121 57.548 58.000 -0.552 0.000 1.427 245 F CB 0.403 38.817 39.000 -0.977 0.000 1.125 245 F HN -0.026 nan 8.300 nan 0.000 0.583 246 I N 0.791 121.248 120.570 -0.188 0.000 2.392 246 I HA 0.474 4.652 4.170 0.013 0.000 0.295 246 I C 0.886 176.946 176.117 -0.096 0.000 0.985 246 I CA -0.178 61.054 61.300 -0.113 0.000 1.221 246 I CB 0.259 38.250 38.000 -0.015 0.000 1.366 246 I HN 0.280 nan 8.210 nan 0.000 0.467 247 G N 6.558 115.368 108.800 0.018 0.000 2.752 247 G HA2 -0.195 3.773 3.960 0.013 0.000 0.234 247 G HA3 -0.195 3.773 3.960 0.013 0.000 0.234 247 G C -0.414 174.459 174.900 -0.046 0.000 1.367 247 G CA -0.545 44.621 45.100 0.110 0.000 0.879 247 G HN 0.645 nan 8.290 nan 0.000 0.563 248 E N -0.298 119.879 120.200 -0.039 0.000 2.212 248 E HA 0.689 5.047 4.350 0.013 0.000 0.270 248 E C 0.094 176.602 176.600 -0.152 0.000 0.956 248 E CA -0.063 56.278 56.400 -0.098 0.000 0.825 248 E CB 1.791 31.443 29.700 -0.079 0.000 1.167 248 E HN 1.033 nan 8.360 nan 0.000 0.400 249 S N 1.587 117.180 115.700 -0.178 0.000 2.565 249 S HA 0.420 4.898 4.470 0.013 0.000 0.269 249 S C -1.154 173.270 174.600 -0.294 0.000 1.153 249 S CA -1.170 56.906 58.200 -0.207 0.000 0.835 249 S CB 1.170 64.266 63.200 -0.174 0.000 1.122 249 S HN 0.400 nan 8.310 nan 0.000 0.462 250 N N 0.606 119.088 118.700 -0.364 0.000 2.408 250 N HA 0.597 5.345 4.740 0.013 0.000 0.280 250 N C -1.420 173.619 175.510 -0.786 0.000 1.002 250 N CA -0.372 52.277 53.050 -0.669 0.000 0.907 250 N CB 1.976 40.053 38.487 -0.685 0.000 1.161 250 N HN 0.530 nan 8.380 nan 0.000 0.488 251 V N 2.507 121.745 119.914 -1.127 0.000 2.531 251 V HA 0.554 4.682 4.120 0.013 0.000 0.301 251 V C -1.041 174.448 176.094 -1.007 0.000 1.034 251 V CA -0.734 61.106 62.300 -0.767 0.000 0.865 251 V CB 1.091 32.647 31.823 -0.445 0.000 0.995 251 V HN 0.634 nan 8.190 nan 0.000 0.424 252 W N 1.101 122.316 121.300 -0.141 0.000 3.083 252 W HA 0.667 5.334 4.660 0.012 0.000 0.333 252 W C -0.149 176.358 176.519 -0.020 0.000 1.217 252 W CA -0.727 56.562 57.345 -0.092 0.000 1.170 252 W CB 1.717 31.119 29.460 -0.098 0.000 1.437 252 W HN 0.323 nan 8.180 nan 0.000 0.557 253 T N 3.128 117.845 114.554 0.272 0.000 2.909 253 T HA 0.646 5.004 4.350 0.013 0.000 0.286 253 T C -0.253 174.533 174.700 0.142 0.000 1.002 253 T CA -0.711 61.486 62.100 0.162 0.000 1.074 253 T CB 0.745 69.685 68.868 0.119 0.000 0.984 253 T HN 0.118 nan 8.240 nan 0.000 0.495 254 R N 0.612 121.173 120.500 0.103 0.000 2.707 254 R HA 0.719 5.067 4.340 0.013 0.000 0.272 254 R C -1.139 175.191 176.300 0.050 0.000 1.011 254 R CA -0.820 55.320 56.100 0.066 0.000 0.893 254 R CB 2.043 32.375 30.300 0.054 0.000 1.233 254 R HN 0.719 nan 8.270 nan 0.000 0.464 255 A N 1.719 124.558 122.820 0.032 0.000 2.312 255 A HA 0.577 4.905 4.320 0.013 0.000 0.326 255 A C -0.212 177.382 177.584 0.018 0.000 1.172 255 A CA -0.597 51.456 52.037 0.027 0.000 0.821 255 A CB 1.013 20.026 19.000 0.021 0.000 1.166 255 A HN 0.336 nan 8.150 nan 0.000 0.493 256 V N 2.330 122.257 119.914 0.020 0.000 2.530 256 V HA 0.376 4.504 4.120 0.013 0.000 0.282 256 V C 0.274 176.373 176.094 0.008 0.000 1.048 256 V CA 0.129 62.437 62.300 0.014 0.000 0.997 256 V CB 0.764 32.599 31.823 0.021 0.000 0.987 256 V HN 0.949 nan 8.190 nan 0.000 0.477 257 Q N 3.702 123.503 119.800 0.002 0.000 2.284 257 Q HA 0.345 4.693 4.340 0.013 0.000 0.269 257 Q C -0.403 175.596 176.000 -0.002 0.000 1.026 257 Q CA -0.683 55.120 55.803 -0.000 0.000 0.831 257 Q CB 1.300 30.036 28.738 -0.003 0.000 1.322 257 Q HN 0.795 nan 8.270 nan 0.000 0.419 258 N N 2.163 120.864 118.700 0.000 0.000 2.735 258 N HA -0.212 4.536 4.740 0.013 0.000 0.248 258 N C 0.318 175.829 175.510 0.002 0.000 1.083 258 N CA 1.411 54.461 53.050 0.000 0.000 0.703 258 N CB -1.417 37.068 38.487 -0.003 0.000 1.005 258 N HN 1.107 nan 8.380 nan 0.000 0.550 259 G N -0.250 108.554 108.800 0.006 0.000 2.225 259 G HA2 -0.367 3.601 3.960 0.013 0.000 0.267 259 G HA3 -0.367 3.601 3.960 0.013 0.000 0.267 259 G C 0.151 175.056 174.900 0.009 0.000 1.024 259 G CA 1.223 46.329 45.100 0.011 0.000 0.784 259 G HN 1.013 nan 8.290 nan 0.000 0.507 260 R N -1.217 119.283 120.500 -0.001 0.000 2.752 260 R HA 0.792 5.140 4.340 0.013 0.000 0.271 260 R C -0.360 175.924 176.300 -0.027 0.000 1.026 260 R CA -0.846 55.244 56.100 -0.015 0.000 0.901 260 R CB 1.127 31.411 30.300 -0.026 0.000 1.243 260 R HN 0.725 nan 8.270 nan 0.000 0.463 261 I N -1.779 118.759 120.570 -0.054 0.000 2.846 261 I HA 0.564 4.742 4.170 0.013 0.000 0.307 261 I C -1.168 174.890 176.117 -0.099 0.000 1.053 261 I CA -1.354 59.911 61.300 -0.057 0.000 1.050 261 I CB 2.501 40.477 38.000 -0.040 0.000 1.239 261 I HN 0.565 nan 8.210 nan 0.000 0.439 262 E N 4.088 124.234 120.200 -0.090 0.000 2.109 262 E HA 0.556 4.914 4.350 0.013 0.000 0.278 262 E C -1.062 175.450 176.600 -0.146 0.000 0.954 262 E CA -0.671 55.655 56.400 -0.123 0.000 0.779 262 E CB 1.746 31.383 29.700 -0.104 0.000 1.093 262 E HN 0.443 nan 8.360 nan 0.000 0.401 263 V N 2.140 121.932 119.914 -0.203 0.000 2.409 263 V HA 0.601 4.729 4.120 0.013 0.000 0.290 263 V C 0.355 176.241 176.094 -0.345 0.000 1.017 263 V CA -0.677 61.494 62.300 -0.215 0.000 0.841 263 V CB 1.044 32.761 31.823 -0.177 0.000 1.003 263 V HN 0.911 nan 8.190 nan 0.000 0.426 264 A N 3.911 126.446 122.820 -0.476 0.000 2.610 264 A HA 0.087 4.415 4.320 0.013 0.000 0.299 264 A C 1.571 178.679 177.584 -0.793 0.000 1.487 264 A CA 1.280 52.854 52.037 -0.773 0.000 0.743 264 A CB -1.458 17.110 19.000 -0.719 0.000 1.070 264 A HN 2.678 nan 8.150 nan 0.000 0.439 265 G N -2.716 105.750 108.800 -0.557 0.000 2.198 265 G HA2 0.283 4.251 3.960 0.013 0.000 0.260 265 G HA3 0.283 4.251 3.960 0.013 0.000 0.260 265 G C 0.536 175.356 174.900 -0.133 0.000 1.025 265 G CA 1.279 46.227 45.100 -0.254 0.000 0.769 265 G HN 2.762 nan 8.290 nan 0.000 0.507 266 A N -1.005 121.701 122.820 -0.190 0.000 2.422 266 A HA 0.997 5.325 4.320 0.013 0.000 0.302 266 A C 0.039 177.516 177.584 -0.179 0.000 1.041 266 A CA 0.325 52.269 52.037 -0.155 0.000 0.708 266 A CB 1.650 20.538 19.000 -0.188 0.000 1.257 266 A HN 2.030 nan 8.150 nan 0.000 0.414 267 A N 2.055 124.793 122.820 -0.136 0.000 2.260 267 A HA 0.606 4.934 4.320 0.013 0.000 0.312 267 A C -0.825 176.661 177.584 -0.164 0.000 1.321 267 A CA -0.267 51.694 52.037 -0.127 0.000 0.928 267 A CB -0.391 18.567 19.000 -0.069 0.000 1.158 267 A HN 0.692 nan 8.150 nan 0.000 0.542 268 L N 5.736 126.815 121.223 -0.241 0.000 2.260 268 L HA 0.382 4.730 4.340 0.013 0.000 0.289 268 L C -1.825 174.991 176.870 -0.090 0.000 1.057 268 L CA -1.685 52.971 54.840 -0.307 0.000 0.811 268 L CB 0.883 42.548 42.059 -0.656 0.000 1.184 268 L HN 0.481 nan 8.230 nan 0.000 0.429 269 P HA 0.103 nan 4.420 nan 0.000 0.271 269 P C -0.732 176.620 177.300 0.087 0.000 1.218 269 P CA -0.152 62.984 63.100 0.059 0.000 0.780 269 P CB 1.381 33.135 31.700 0.090 0.000 0.901 270 V N 2.579 122.528 119.914 0.058 0.000 2.581 270 V HA 0.153 4.281 4.120 0.013 0.000 0.303 270 V C 0.517 176.642 176.094 0.051 0.000 1.041 270 V CA -0.544 61.792 62.300 0.061 0.000 0.907 270 V CB 1.395 33.242 31.823 0.039 0.000 0.994 270 V HN 0.586 nan 8.190 nan 0.000 0.442 271 D N 6.013 126.441 120.400 0.048 0.000 2.533 271 D HA 0.039 4.687 4.640 0.013 0.000 0.236 271 D C -1.068 175.248 176.300 0.027 0.000 1.137 271 D CA -0.683 53.336 54.000 0.032 0.000 0.867 271 D CB 1.176 41.987 40.800 0.018 0.000 1.170 271 D HN 0.339 nan 8.370 nan 0.000 0.474 272 P HA -0.199 nan 4.420 nan 0.000 0.222 272 P C 0.624 177.935 177.300 0.018 0.000 1.142 272 P CA 0.891 64.003 63.100 0.020 0.000 0.788 272 P CB 0.041 31.751 31.700 0.017 0.000 0.767 273 A N -0.337 122.494 122.820 0.018 0.000 2.167 273 A HA 0.106 4.434 4.320 0.013 0.000 0.214 273 A C 1.122 178.719 177.584 0.022 0.000 1.151 273 A CA 0.358 52.406 52.037 0.018 0.000 0.735 273 A CB -0.551 18.459 19.000 0.017 0.000 0.802 273 A HN 0.095 nan 8.150 nan 0.000 0.467 274 V N 1.465 121.393 119.914 0.024 0.000 2.432 274 V HA 0.251 4.379 4.120 0.013 0.000 0.275 274 V C 0.363 176.472 176.094 0.025 0.000 1.043 274 V CA -0.554 61.763 62.300 0.029 0.000 0.925 274 V CB 1.167 33.010 31.823 0.034 0.000 0.985 274 V HN 0.327 nan 8.190 nan 0.000 0.466 275 S N 3.614 119.329 115.700 0.025 0.000 2.585 275 S HA 0.176 4.654 4.470 0.013 0.000 0.273 275 S C 0.221 174.833 174.600 0.020 0.000 1.339 275 S CA -0.595 57.617 58.200 0.021 0.000 1.028 275 S CB 0.453 63.665 63.200 0.020 0.000 0.906 275 S HN 0.717 nan 8.310 nan 0.000 0.528 276 E N 0.717 120.927 120.200 0.017 0.000 2.442 276 E HA 0.186 4.544 4.350 0.013 0.000 0.262 276 E C 1.343 177.953 176.600 0.016 0.000 1.004 276 E CA 1.061 57.470 56.400 0.015 0.000 0.928 276 E CB 0.414 30.120 29.700 0.011 0.000 0.937 276 E HN 1.009 nan 8.360 nan 0.000 0.446 277 G N 2.553 111.362 108.800 0.015 0.000 2.234 277 G HA2 -0.331 3.637 3.960 0.013 0.000 0.260 277 G HA3 -0.331 3.637 3.960 0.013 0.000 0.260 277 G C 0.467 175.379 174.900 0.021 0.000 0.987 277 G CA 0.683 45.793 45.100 0.016 0.000 0.625 277 G HN 0.714 nan 8.290 nan 0.000 0.532 278 S N -0.016 115.699 115.700 0.025 0.000 2.603 278 S HA 0.632 5.110 4.470 0.013 0.000 0.268 278 S C -0.038 174.584 174.600 0.037 0.000 1.317 278 S CA -0.169 58.049 58.200 0.031 0.000 1.012 278 S CB 1.865 65.085 63.200 0.033 0.000 0.926 278 S HN 0.466 nan 8.310 nan 0.000 0.539 279 E N 0.216 120.442 120.200 0.043 0.000 2.242 279 E HA 0.577 4.935 4.350 0.013 0.000 0.275 279 E C -0.379 176.261 176.600 0.067 0.000 1.002 279 E CA -1.010 55.421 56.400 0.052 0.000 0.841 279 E CB 1.739 31.470 29.700 0.051 0.000 1.109 279 E HN 0.642 nan 8.360 nan 0.000 0.394 280 V N -1.747 118.214 119.914 0.079 0.000 3.102 280 V HA 0.879 5.007 4.120 0.013 0.000 0.312 280 V C -0.757 175.410 176.094 0.121 0.000 1.135 280 V CA -1.176 61.186 62.300 0.105 0.000 1.022 280 V CB 1.697 33.581 31.823 0.103 0.000 1.056 280 V HN 0.704 nan 8.190 nan 0.000 0.436 281 A N 1.745 124.658 122.820 0.155 0.000 2.276 281 A HA 0.812 5.140 4.320 0.013 0.000 0.316 281 A C -0.419 177.283 177.584 0.197 0.000 1.229 281 A CA -0.618 51.509 52.037 0.150 0.000 0.851 281 A CB 1.015 20.089 19.000 0.122 0.000 1.165 281 A HN 1.336 nan 8.150 nan 0.000 0.513 282 V N 3.081 123.102 119.914 0.177 0.000 2.439 282 V HA 0.420 4.548 4.120 0.013 0.000 0.282 282 V C -0.117 176.080 176.094 0.171 0.000 1.039 282 V CA -0.500 61.921 62.300 0.202 0.000 0.913 282 V CB 1.271 33.208 31.823 0.191 0.000 0.983 282 V HN 0.578 nan 8.190 nan 0.000 0.460 283 V N 5.489 125.547 119.914 0.240 0.000 2.409 283 V HA 0.524 4.652 4.120 0.013 0.000 0.291 283 V C -0.333 175.839 176.094 0.131 0.000 1.020 283 V CA -0.454 61.945 62.300 0.166 0.000 0.848 283 V CB 1.812 33.839 31.823 0.338 0.000 0.990 283 V HN 0.639 nan 8.190 nan 0.000 0.430 284 V N 5.568 125.501 119.914 0.031 0.000 2.525 284 V HA 0.472 4.600 4.120 0.013 0.000 0.299 284 V C 0.158 176.235 176.094 -0.028 0.000 1.034 284 V CA -0.899 61.441 62.300 0.067 0.000 0.863 284 V CB 1.920 33.920 31.823 0.296 0.000 0.999 284 V HN 0.805 nan 8.190 nan 0.000 0.423 285 R N 4.623 125.073 120.500 -0.084 0.000 2.543 285 R HA 0.194 4.542 4.340 0.013 0.000 0.277 285 R C -1.664 174.559 176.300 -0.130 0.000 1.074 285 R CA -1.416 54.606 56.100 -0.129 0.000 1.076 285 R CB 0.791 31.008 30.300 -0.138 0.000 0.993 285 R HN 0.411 nan 8.270 nan 0.000 0.459 286 P HA -0.275 nan 4.420 nan 0.000 0.217 286 P C 0.770 177.914 177.300 -0.260 0.000 1.151 286 P CA 1.699 64.569 63.100 -0.384 0.000 0.849 286 P CB 0.137 31.236 31.700 -1.002 0.000 0.787 287 K N -1.124 119.143 120.400 -0.222 0.000 2.288 287 K HA -0.065 4.263 4.320 0.013 0.000 0.201 287 K C 0.578 177.169 176.600 -0.015 0.000 1.048 287 K CA 1.286 57.535 56.287 -0.063 0.000 0.956 287 K CB -0.472 32.007 32.500 -0.035 0.000 0.746 287 K HN 0.047 nan 8.250 nan 0.000 0.461 288 D N 1.684 122.073 120.400 -0.019 0.000 2.352 288 D HA 0.083 4.731 4.640 0.013 0.000 0.236 288 D C -0.641 175.692 176.300 0.055 0.000 1.148 288 D CA 0.149 54.159 54.000 0.017 0.000 0.844 288 D CB 0.609 41.407 40.800 -0.002 0.000 0.933 288 D HN -0.020 nan 8.370 nan 0.000 0.507 289 V N 0.912 120.851 119.914 0.042 0.000 2.577 289 V HA 0.245 4.373 4.120 0.013 0.000 0.303 289 V C -0.078 176.021 176.094 0.009 0.000 1.042 289 V CA -0.907 61.409 62.300 0.028 0.000 0.872 289 V CB 2.686 34.530 31.823 0.036 0.000 0.998 289 V HN -0.082 nan 8.190 nan 0.000 0.423 290 E N 4.958 125.163 120.200 0.009 0.000 2.179 290 E HA 0.688 5.046 4.350 0.013 0.000 0.275 290 E C -1.336 175.260 176.600 -0.007 0.000 0.945 290 E CA -0.725 55.699 56.400 0.039 0.000 0.792 290 E CB 2.530 32.281 29.700 0.084 0.000 1.125 290 E HN 0.479 nan 8.360 nan 0.000 0.397 291 L N 2.222 123.436 121.223 -0.015 0.000 2.325 291 L HA 0.454 4.802 4.340 0.013 0.000 0.278 291 L C -0.209 176.720 176.870 0.099 0.000 1.023 291 L CA -0.740 53.975 54.840 -0.208 0.000 0.811 291 L CB 1.240 42.792 42.059 -0.846 0.000 1.249 291 L HN 0.421 nan 8.230 nan 0.000 0.431 292 Q N 2.545 122.402 119.800 0.094 0.000 2.315 292 Q HA 0.420 4.768 4.340 0.013 0.000 0.273 292 Q C -2.578 173.593 176.000 0.285 0.000 1.053 292 Q CA -2.039 53.962 55.803 0.329 0.000 0.817 292 Q CB 2.743 31.587 28.738 0.177 0.000 1.326 292 Q HN 0.322 nan 8.270 nan 0.000 0.423 293 P HA 0.112 nan 4.420 nan 0.000 0.269 293 P C -1.243 176.159 177.300 0.170 0.000 1.205 293 P CA 0.294 63.606 63.100 0.353 0.000 0.780 293 P CB 0.540 32.411 31.700 0.284 0.000 0.858 294 A N 0.508 123.426 122.820 0.163 0.000 2.544 294 A HA 0.563 4.891 4.320 0.013 0.000 0.291 294 A C -0.678 176.971 177.584 0.109 0.000 1.055 294 A CA -0.466 51.625 52.037 0.090 0.000 0.651 294 A CB 0.331 19.358 19.000 0.045 0.000 1.296 294 A HN 0.478 nan 8.150 nan 0.000 0.431 295 S N -0.256 115.452 115.700 0.013 0.000 2.584 295 S HA 0.396 4.874 4.470 0.013 0.000 0.273 295 S C 0.859 175.322 174.600 -0.229 0.000 1.311 295 S CA 0.464 58.626 58.200 -0.064 0.000 1.034 295 S CB 1.406 64.552 63.200 -0.090 0.000 0.939 295 S HN 1.017 nan 8.310 nan 0.000 0.513 296 E N 1.777 121.629 120.200 -0.580 0.000 2.070 296 E HA -0.334 4.024 4.350 0.013 0.000 0.197 296 E C 2.047 178.199 176.600 -0.747 0.000 1.004 296 E CA 1.616 57.176 56.400 -1.400 0.000 0.805 296 E CB -0.233 28.493 29.700 -1.623 0.000 0.744 296 E HN 0.769 nan 8.360 nan 0.000 0.451 297 R N 1.060 121.295 120.500 -0.443 0.000 2.227 297 R HA -0.269 4.079 4.340 0.013 0.000 0.246 297 R C 1.980 178.160 176.300 -0.201 0.000 1.119 297 R CA 2.825 58.768 56.100 -0.262 0.000 0.930 297 R CB -0.486 29.712 30.300 -0.170 0.000 0.912 297 R HN 0.582 nan 8.270 nan 0.000 0.435 298 E N -0.759 119.346 120.200 -0.159 0.000 2.526 298 E HA 0.301 4.659 4.350 0.013 0.000 0.208 298 E C -0.051 176.513 176.600 -0.060 0.000 0.997 298 E CA 0.119 56.467 56.400 -0.086 0.000 0.961 298 E CB 0.255 29.916 29.700 -0.066 0.000 1.030 298 E HN 0.390 nan 8.360 nan 0.000 0.483 299 A N 1.387 124.162 122.820 -0.076 0.000 2.520 299 A HA 0.013 4.341 4.320 0.013 0.000 0.235 299 A C 0.227 177.912 177.584 0.168 0.000 1.065 299 A CA 0.161 52.234 52.037 0.059 0.000 0.764 299 A CB -0.087 19.106 19.000 0.321 0.000 1.002 299 A HN 0.423 nan 8.150 nan 0.000 0.502 300 H N 0.680 119.798 119.070 0.079 0.000 2.431 300 H HA 0.367 4.930 4.556 0.013 0.000 0.295 300 H C 0.896 176.225 175.328 0.002 0.000 1.038 300 H CA 0.546 56.571 56.048 -0.038 0.000 1.360 300 H CB 0.380 30.008 29.762 -0.223 0.000 1.433 300 H HN 0.812 nan 8.280 nan 0.000 0.536 301 A N 0.287 123.203 122.820 0.161 0.000 2.583 301 A HA 0.465 4.793 4.320 0.013 0.000 0.289 301 A C -1.501 175.976 177.584 -0.179 0.000 1.151 301 A CA -0.699 51.340 52.037 0.003 0.000 0.695 301 A CB 1.955 20.876 19.000 -0.131 0.000 1.290 301 A HN 0.207 nan 8.150 nan 0.000 0.419 302 Q N 0.369 119.901 119.800 -0.446 0.000 2.356 302 Q HA 0.591 4.940 4.340 0.013 0.000 0.270 302 Q C -1.592 174.196 176.000 -0.352 0.000 1.058 302 Q CA -0.653 54.703 55.803 -0.746 0.000 0.802 302 Q CB 2.092 30.067 28.738 -1.271 0.000 1.303 302 Q HN 0.617 nan 8.270 nan 0.000 0.444 303 V N 4.740 124.501 119.914 -0.255 0.000 2.521 303 V HA -0.007 4.122 4.120 0.013 0.000 0.286 303 V C 0.990 177.062 176.094 -0.038 0.000 1.034 303 V CA 0.213 62.460 62.300 -0.087 0.000 1.045 303 V CB 1.048 32.872 31.823 0.001 0.000 0.974 303 V HN 0.823 nan 8.190 nan 0.000 0.480 304 V N 5.476 125.418 119.914 0.047 0.000 2.331 304 V HA 0.124 4.252 4.120 0.013 0.000 0.242 304 V C 0.732 176.891 176.094 0.108 0.000 1.034 304 V CA 1.705 64.044 62.300 0.065 0.000 1.027 304 V CB -0.417 31.471 31.823 0.108 0.000 0.667 304 V HN 1.093 nan 8.190 nan 0.000 0.457 305 R N -1.889 118.735 120.500 0.207 0.000 2.780 305 R HA 0.546 4.894 4.340 0.013 0.000 0.280 305 R C -1.468 175.047 176.300 0.358 0.000 1.016 305 R CA -0.426 55.813 56.100 0.232 0.000 0.854 305 R CB 1.172 31.575 30.300 0.171 0.000 1.293 305 R HN -0.052 nan 8.270 nan 0.000 0.483 306 S N -0.984 114.897 115.700 0.301 0.000 2.599 306 S HA 0.936 5.414 4.470 0.013 0.000 0.294 306 S C -1.544 173.232 174.600 0.293 0.000 1.094 306 S CA -0.265 58.112 58.200 0.295 0.000 0.931 306 S CB 2.002 65.330 63.200 0.213 0.000 1.093 306 S HN 0.811 nan 8.310 nan 0.000 0.488 307 A N 1.621 124.605 122.820 0.274 0.000 2.402 307 A HA 0.661 4.989 4.320 0.013 0.000 0.291 307 A C -1.256 176.386 177.584 0.098 0.000 1.051 307 A CA -0.575 51.596 52.037 0.222 0.000 0.716 307 A CB 0.530 19.730 19.000 0.333 0.000 1.223 307 A HN 0.687 nan 8.150 nan 0.000 0.425 308 F N 2.670 122.585 119.950 -0.059 0.000 2.506 308 F HA 0.380 4.913 4.527 0.010 0.000 0.371 308 F C 0.848 176.526 175.800 -0.204 0.000 1.078 308 F CA 0.262 58.178 58.000 -0.140 0.000 1.195 308 F CB 0.837 39.763 39.000 -0.122 0.000 1.099 308 F HN 0.583 nan 8.300 nan 0.000 0.548 309 K N 4.685 124.442 120.400 -1.071 0.000 2.478 309 K HA 0.350 4.678 4.320 0.013 0.000 0.205 309 K C 1.073 177.024 176.600 -1.081 0.000 1.033 309 K CA 0.307 56.000 56.287 -0.990 0.000 1.091 309 K CB 0.551 32.402 32.500 -1.081 0.000 0.844 309 K HN 1.017 nan 8.250 nan 0.000 0.507 310 G N 1.465 109.269 108.800 -1.660 0.000 4.794 310 G HA2 -0.375 3.594 3.960 0.013 0.000 0.275 310 G HA3 -0.375 3.594 3.960 0.013 0.000 0.275 310 G C 0.951 175.538 174.900 -0.522 0.000 1.648 310 G CA 0.424 44.967 45.100 -0.929 0.000 1.154 310 G HN 0.235 nan 8.290 nan 0.000 0.680 311 S N 0.707 116.205 115.700 -0.336 0.000 2.522 311 S HA 0.416 4.894 4.470 0.013 0.000 0.227 311 S C 0.555 175.161 174.600 0.010 0.000 0.986 311 S CA 1.651 59.803 58.200 -0.079 0.000 0.929 311 S CB -0.331 62.893 63.200 0.040 0.000 0.769 311 S HN 1.858 nan 8.310 nan 0.000 0.529 312 Y N -1.789 118.368 120.300 -0.238 0.000 2.677 312 Y HA 0.667 5.223 4.550 0.011 0.000 0.334 312 Y C -0.892 174.863 175.900 -0.242 0.000 1.196 312 Y CA -1.269 56.726 58.100 -0.175 0.000 1.059 312 Y CB 0.659 39.012 38.460 -0.179 0.000 1.315 312 Y HN -0.166 nan 8.280 nan 0.000 0.455 313 S N 1.521 117.223 115.700 0.003 0.000 2.451 313 S HA 0.848 5.326 4.470 0.013 0.000 0.301 313 S C -0.583 174.073 174.600 0.093 0.000 1.116 313 S CA -0.055 58.135 58.200 -0.017 0.000 1.093 313 S CB 0.493 63.778 63.200 0.142 0.000 1.017 313 S HN 1.214 nan 8.310 nan 0.000 0.482 314 A N 3.413 126.213 122.820 -0.033 0.000 2.301 314 A HA 0.598 4.926 4.320 0.013 0.000 0.298 314 A C -0.172 177.265 177.584 -0.244 0.000 1.185 314 A CA -0.538 51.414 52.037 -0.142 0.000 0.830 314 A CB 0.094 18.910 19.000 -0.307 0.000 1.112 314 A HN 0.890 nan 8.150 nan 0.000 0.508 315 C N 5.235 124.349 119.300 -0.310 0.000 2.364 315 C HA 0.687 5.155 4.460 0.013 0.000 0.324 315 C C -0.972 173.843 174.990 -0.291 0.000 1.234 315 C CA -0.786 58.135 59.018 -0.161 0.000 1.417 315 C CB -0.145 27.587 27.740 -0.014 0.000 2.101 315 C HN 0.785 nan 8.230 nan 0.000 0.466 316 W N 7.260 128.622 121.300 0.104 0.000 2.361 316 W HA 0.598 5.269 4.660 0.018 0.000 0.309 316 W C -0.047 176.501 176.519 0.049 0.000 1.122 316 W CA -0.526 56.878 57.345 0.099 0.000 1.208 316 W CB 1.276 30.792 29.460 0.094 0.000 1.246 316 W HN 0.679 nan 8.180 nan 0.000 0.490 317 I N 0.458 121.156 120.570 0.213 0.000 2.730 317 I HA 0.642 4.820 4.170 0.013 0.000 0.298 317 I C -0.670 175.514 176.117 0.112 0.000 1.089 317 I CA -1.387 59.958 61.300 0.075 0.000 1.041 317 I CB 2.677 40.639 38.000 -0.063 0.000 1.235 317 I HN 0.287 nan 8.210 nan 0.000 0.423 318 R N 3.612 124.121 120.500 0.015 0.000 2.310 318 R HA 0.445 4.793 4.340 0.013 0.000 0.324 318 R C -0.135 176.146 176.300 -0.032 0.000 0.955 318 R CA -0.252 55.864 56.100 0.027 0.000 0.830 318 R CB 1.506 31.810 30.300 0.007 0.000 1.154 318 R HN 0.981 nan 8.270 nan 0.000 0.458 319 T N 0.988 115.524 114.554 -0.029 0.000 2.726 319 T HA 0.034 4.392 4.350 0.013 0.000 0.294 319 T C 1.536 176.243 174.700 0.011 0.000 1.013 319 T CA -0.551 61.513 62.100 -0.060 0.000 0.996 319 T CB 0.791 69.566 68.868 -0.155 0.000 1.016 319 T HN 0.652 nan 8.240 nan 0.000 0.529 320 K N 0.608 121.035 120.400 0.044 0.000 2.103 320 K HA -0.200 4.128 4.320 0.013 0.000 0.207 320 K C 1.504 178.120 176.600 0.026 0.000 1.048 320 K CA 1.970 58.304 56.287 0.079 0.000 0.930 320 K CB -1.149 31.389 32.500 0.063 0.000 0.716 320 K HN 0.788 nan 8.250 nan 0.000 0.444 321 D N 0.674 121.060 120.400 -0.023 0.000 2.363 321 D HA -0.034 4.614 4.640 0.013 0.000 0.226 321 D C 0.486 176.767 176.300 -0.032 0.000 1.020 321 D CA 1.031 55.010 54.000 -0.037 0.000 0.892 321 D CB -0.055 40.701 40.800 -0.075 0.000 0.900 321 D HN 0.538 nan 8.370 nan 0.000 0.531 322 G N 1.312 110.102 108.800 -0.017 0.000 2.141 322 G HA2 -0.257 3.711 3.960 0.013 0.000 0.242 322 G HA3 -0.257 3.711 3.960 0.013 0.000 0.242 322 G C -0.041 174.855 174.900 -0.007 0.000 0.982 322 G CA 0.031 45.133 45.100 0.003 0.000 0.662 322 G HN 0.441 nan 8.290 nan 0.000 0.527 323 E N -0.067 120.084 120.200 -0.081 0.000 2.259 323 E HA 0.445 4.803 4.350 0.013 0.000 0.281 323 E C -0.020 176.657 176.600 0.128 0.000 1.027 323 E CA -0.526 55.760 56.400 -0.191 0.000 0.838 323 E CB 1.926 31.216 29.700 -0.682 0.000 1.066 323 E HN 0.082 nan 8.360 nan 0.000 0.401 324 V N 4.689 124.784 119.914 0.302 0.000 2.348 324 V HA 0.157 4.286 4.120 0.013 0.000 0.270 324 V C -0.755 175.694 176.094 0.592 0.000 1.037 324 V CA -0.560 61.980 62.300 0.400 0.000 0.872 324 V CB -0.065 31.942 31.823 0.307 0.000 1.002 324 V HN 0.595 nan 8.190 nan 0.000 0.464 325 W N 2.738 124.205 121.300 0.279 0.000 2.512 325 W HA 0.547 5.214 4.660 0.013 0.000 0.335 325 W C 0.366 176.966 176.519 0.134 0.000 1.088 325 W CA -0.763 56.752 57.345 0.283 0.000 1.236 325 W CB 0.999 30.547 29.460 0.146 0.000 1.307 325 W HN 0.483 nan 8.180 nan 0.000 0.567 326 E N 1.829 122.160 120.200 0.218 0.000 2.151 326 E HA 0.555 4.914 4.350 0.013 0.000 0.275 326 E C -1.481 175.032 176.600 -0.145 0.000 0.936 326 E CA -0.391 55.904 56.400 -0.176 0.000 0.777 326 E CB 1.200 30.788 29.700 -0.186 0.000 1.108 326 E HN 0.253 nan 8.360 nan 0.000 0.401 327 V N 4.365 124.156 119.914 -0.205 0.000 2.735 327 V HA 0.304 4.432 4.120 0.013 0.000 0.310 327 V C -0.838 175.263 176.094 0.012 0.000 1.061 327 V CA -0.746 61.491 62.300 -0.105 0.000 0.913 327 V CB 1.964 33.745 31.823 -0.070 0.000 1.005 327 V HN 0.752 nan 8.190 nan 0.000 0.428 328 H N 2.342 121.346 119.070 -0.110 0.000 2.551 328 H HA 0.616 5.179 4.556 0.012 0.000 0.321 328 H C -0.419 174.926 175.328 0.027 0.000 1.028 328 H CA -0.757 55.246 56.048 -0.076 0.000 1.215 328 H CB 1.933 31.500 29.762 -0.326 0.000 1.414 328 H HN 0.592 nan 8.280 nan 0.000 0.480 329 V N 1.802 121.856 119.914 0.234 0.000 2.630 329 V HA 0.492 4.620 4.120 0.013 0.000 0.305 329 V C -2.446 173.776 176.094 0.213 0.000 1.046 329 V CA -2.784 59.650 62.300 0.223 0.000 0.934 329 V CB 1.799 33.805 31.823 0.304 0.000 1.003 329 V HN 0.552 nan 8.190 nan 0.000 0.451 330 P HA 0.056 nan 4.420 nan 0.000 0.266 330 P C 0.846 178.237 177.300 0.151 0.000 1.193 330 P CA 0.340 63.529 63.100 0.149 0.000 0.770 330 P CB 0.779 32.548 31.700 0.115 0.000 0.836 331 S N 2.387 118.175 115.700 0.147 0.000 2.402 331 S HA -0.194 4.284 4.470 0.013 0.000 0.233 331 S C 1.899 176.590 174.600 0.152 0.000 1.030 331 S CA 1.653 59.969 58.200 0.192 0.000 1.003 331 S CB -0.808 62.513 63.200 0.202 0.000 0.813 331 S HN 0.717 nan 8.310 nan 0.000 0.477 332 A N 0.629 123.512 122.820 0.105 0.000 2.277 332 A HA -0.046 4.282 4.320 0.013 0.000 0.208 332 A C 0.889 178.502 177.584 0.048 0.000 1.202 332 A CA 0.867 52.945 52.037 0.068 0.000 0.762 332 A CB -0.094 18.939 19.000 0.055 0.000 0.770 332 A HN 0.312 nan 8.150 nan 0.000 0.487 333 D N -1.186 119.253 120.400 0.065 0.000 2.620 333 D HA 0.037 4.685 4.640 0.013 0.000 0.260 333 D C 1.619 177.927 176.300 0.014 0.000 1.367 333 D CA 0.025 54.033 54.000 0.013 0.000 0.805 333 D CB 0.080 40.911 40.800 0.051 0.000 1.096 333 D HN 0.696 nan 8.370 nan 0.000 0.488 334 R N 0.252 120.775 120.500 0.038 0.000 2.170 334 R HA -0.132 4.216 4.340 0.013 0.000 0.242 334 R C 0.773 176.951 176.300 -0.203 0.000 1.145 334 R CA 1.214 57.300 56.100 -0.023 0.000 0.984 334 R CB -0.351 29.894 30.300 -0.091 0.000 0.869 334 R HN 0.176 nan 8.270 nan 0.000 0.455 335 H N -0.345 118.692 119.070 -0.055 0.000 2.672 335 H HA 0.198 4.761 4.556 0.012 0.000 0.277 335 H C 1.322 176.556 175.328 -0.157 0.000 1.074 335 H CA -0.126 55.874 56.048 -0.079 0.000 1.173 335 H CB 0.534 30.244 29.762 -0.086 0.000 1.558 335 H HN 0.276 nan 8.280 nan 0.000 0.539 336 R N 0.045 120.415 120.500 -0.217 0.000 2.115 336 R HA -0.076 4.272 4.340 0.013 0.000 0.226 336 R C -0.369 175.499 176.300 -0.721 0.000 1.100 336 R CA 0.797 56.537 56.100 -0.599 0.000 0.980 336 R CB 0.338 30.051 30.300 -0.978 0.000 0.875 336 R HN 0.074 nan 8.270 nan 0.000 0.445 337 W N 0.189 121.525 121.300 0.060 0.000 2.411 337 W HA 0.404 5.070 4.660 0.009 0.000 0.317 337 W C -0.434 176.115 176.519 0.050 0.000 1.030 337 W CA -0.974 56.401 57.345 0.050 0.000 1.239 337 W CB 1.583 31.069 29.460 0.043 0.000 1.304 337 W HN -0.174 nan 8.180 nan 0.000 0.437 338 S N 3.390 119.245 115.700 0.258 0.000 2.608 338 S HA 0.616 5.094 4.470 0.013 0.000 0.291 338 S C -2.238 172.442 174.600 0.133 0.000 1.146 338 S CA -1.677 56.622 58.200 0.164 0.000 1.043 338 S CB 0.899 64.169 63.200 0.117 0.000 1.037 338 S HN 0.095 nan 8.310 nan 0.000 0.520 339 P HA 0.190 nan 4.420 nan 0.000 0.270 339 P C 1.020 178.326 177.300 0.010 0.000 1.221 339 P CA 1.256 64.387 63.100 0.051 0.000 0.788 339 P CB 0.092 31.822 31.700 0.049 0.000 0.904 340 G N 0.243 109.006 108.800 -0.060 0.000 2.480 340 G HA2 -0.334 3.635 3.960 0.013 0.000 0.246 340 G HA3 -0.334 3.635 3.960 0.013 0.000 0.246 340 G C 0.578 175.359 174.900 -0.199 0.000 1.073 340 G CA 0.342 45.370 45.100 -0.120 0.000 0.643 340 G HN 0.894 nan 8.290 nan 0.000 0.525 341 A N -0.126 122.652 122.820 -0.069 0.000 2.561 341 A HA 0.404 4.732 4.320 0.013 0.000 0.234 341 A C 0.189 177.685 177.584 -0.147 0.000 1.055 341 A CA 0.766 52.808 52.037 0.009 0.000 0.756 341 A CB 0.063 19.160 19.000 0.162 0.000 0.986 341 A HN 0.698 nan 8.150 nan 0.000 0.505 342 W N 1.197 122.542 121.300 0.075 0.000 2.376 342 W HA 0.491 5.158 4.660 0.012 0.000 0.322 342 W C 0.097 176.624 176.519 0.013 0.000 1.160 342 W CA 0.005 57.368 57.345 0.030 0.000 1.218 342 W CB 1.678 31.150 29.460 0.021 0.000 1.205 342 W HN 0.763 nan 8.180 nan 0.000 0.559 343 V N -0.224 119.788 119.914 0.163 0.000 3.188 343 V HA 0.544 4.672 4.120 0.013 0.000 0.305 343 V C -1.437 174.639 176.094 -0.030 0.000 1.232 343 V CA -1.298 61.000 62.300 -0.003 0.000 1.043 343 V CB 1.748 33.386 31.823 -0.309 0.000 1.068 343 V HN 0.623 nan 8.190 nan 0.000 0.439 344 H N 1.971 120.917 119.070 -0.206 0.000 2.457 344 H HA 0.816 5.379 4.556 0.012 0.000 0.335 344 H C -0.574 174.638 175.328 -0.194 0.000 1.115 344 H CA -0.721 55.115 56.048 -0.354 0.000 1.219 344 H CB 1.752 31.312 29.762 -0.337 0.000 1.471 344 H HN 0.850 nan 8.280 nan 0.000 0.491 345 M N 3.504 122.804 119.600 -0.500 0.000 2.537 345 M HA 0.242 4.730 4.480 0.013 0.000 0.324 345 M C -0.480 175.565 176.300 -0.424 0.000 1.187 345 M CA -0.752 54.323 55.300 -0.375 0.000 0.993 345 M CB 1.440 33.802 32.600 -0.397 0.000 1.666 345 M HN 0.600 nan 8.290 nan 0.000 0.461 346 N N 1.795 120.382 118.700 -0.189 0.000 2.648 346 N HA 0.264 5.012 4.740 0.013 0.000 0.261 346 N C -1.902 173.595 175.510 -0.022 0.000 1.138 346 N CA -0.161 52.856 53.050 -0.055 0.000 0.804 346 N CB 1.161 39.694 38.487 0.077 0.000 1.237 346 N HN 0.398 nan 8.380 nan 0.000 0.532 347 V N 2.668 122.555 119.914 -0.046 0.000 2.479 347 V HA 0.102 4.230 4.120 0.013 0.000 0.281 347 V C 1.801 178.008 176.094 0.189 0.000 1.031 347 V CA 0.423 62.758 62.300 0.059 0.000 1.038 347 V CB 0.841 32.670 31.823 0.011 0.000 0.981 347 V HN 0.759 nan 8.190 nan 0.000 0.478 348 T N 2.729 117.411 114.554 0.214 0.000 3.023 348 T HA 0.292 4.650 4.350 0.013 0.000 0.249 348 T C 0.715 175.521 174.700 0.177 0.000 1.050 348 T CA -0.038 62.189 62.100 0.211 0.000 1.088 348 T CB 0.375 69.300 68.868 0.095 0.000 0.946 348 T HN 0.538 nan 8.240 nan 0.000 0.480 349 R N -0.198 120.386 120.500 0.139 0.000 2.740 349 R HA 0.646 4.994 4.340 0.013 0.000 0.273 349 R C -1.943 174.341 176.300 -0.027 0.000 0.998 349 R CA -1.048 54.927 56.100 -0.207 0.000 0.900 349 R CB 1.933 32.069 30.300 -0.273 0.000 1.223 349 R HN 0.548 nan 8.270 nan 0.000 0.466 350 W N 0.442 121.557 121.300 -0.309 0.000 2.982 350 W HA 0.639 5.306 4.660 0.011 0.000 0.344 350 W C -2.152 174.120 176.519 -0.410 0.000 1.215 350 W CA -1.018 56.125 57.345 -0.336 0.000 1.182 350 W CB 0.508 29.912 29.460 -0.093 0.000 1.437 350 W HN 0.364 nan 8.180 nan 0.000 0.570 351 F N 1.440 121.516 119.950 0.210 0.000 2.593 351 F HA 0.784 5.321 4.527 0.016 0.000 0.320 351 F C 0.011 175.903 175.800 0.154 0.000 1.060 351 F CA -1.482 56.548 58.000 0.049 0.000 0.940 351 F CB 2.118 41.166 39.000 0.080 0.000 1.268 351 F HN 0.072 nan 8.300 nan 0.000 0.475 352 I N 2.272 122.926 120.570 0.139 0.000 2.512 352 I HA 0.353 4.531 4.170 0.013 0.000 0.287 352 I C -1.486 174.543 176.117 -0.146 0.000 1.069 352 I CA -0.373 60.994 61.300 0.111 0.000 1.056 352 I CB 1.917 40.007 38.000 0.150 0.000 1.229 352 I HN 0.397 nan 8.210 nan 0.000 0.429 353 F N 6.087 126.100 119.950 0.104 0.000 2.563 353 F HA 0.547 5.082 4.527 0.013 0.000 0.316 353 F C -2.379 173.451 175.800 0.051 0.000 1.076 353 F CA -2.404 55.630 58.000 0.058 0.000 0.921 353 F CB 1.916 40.931 39.000 0.025 0.000 1.209 353 F HN 0.159 nan 8.300 nan 0.000 0.462 354 P HA 0.176 nan 4.420 nan 0.000 0.271 354 P C -0.225 177.153 177.300 0.131 0.000 1.216 354 P CA -0.361 62.824 63.100 0.143 0.000 0.771 354 P CB 0.579 32.346 31.700 0.112 0.000 0.864 355 R N 0.000 120.558 120.500 0.097 0.000 2.786 355 R HA 0.000 4.348 4.340 0.013 0.000 0.208 355 R CA 0.000 56.143 56.100 0.072 0.000 0.921 355 R CB 0.000 30.337 30.300 0.062 0.000 0.687 355 R HN 0.000 nan 8.270 nan 0.000 0.535