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 2bpq_1_B DATA FIRST_RESID 25 DATA SEQUENCE PSWPQILGRL TDNRDLARGQ AAWAMDQIMT GNARPAQIAA FAVAMTMKAP DATA SEQUENCE TADEVGELAG VMLSHAHPLP ADTVPDDAVD VVGTGGXGVN TVNLSTMAAI DATA SEQUENCE VVAAAGVPVV KHGNRAAXXX XGGADTLEAL GVRIDLGPDL VARSLAEVGI DATA SEQUENCE GFCFAPRFHP SXXXXAAVRR EIGVPTVFNL LGPLTNPARP RAGLIGCAFA DATA SEQUENCE DLAEVMAGVF AARRSSVLVV HGDDGLDELT TTTTSTIWRV AAGSVDKLTF DATA SEQUENCE DPAGFGFARA QLDQLAGGDA QANAAAVRAV LGGARGPVRD AVVLNAAGAI DATA SEQUENCE VAHAGLSSXA EWLPAWEEGL RRASAAIDTG AAEQLLARWV RFGRQILAA 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 25 P HA 0.000 nan 4.420 nan 0.000 0.216 25 P C 0.000 176.470 177.300 -1.383 0.000 1.155 25 P CA 0.000 62.532 63.100 -0.946 0.000 0.800 25 P CB 0.000 31.039 31.700 -1.102 0.000 0.726 26 S N -1.133 113.956 115.700 -1.019 0.000 2.618 26 S HA 0.519 4.989 4.470 -0.000 0.000 0.277 26 S C -0.081 174.244 174.600 -0.459 0.000 1.138 26 S CA -0.955 56.747 58.200 -0.829 0.000 0.844 26 S CB 1.133 64.136 63.200 -0.328 0.000 1.127 26 S HN 0.525 nan 8.310 nan 0.000 0.474 27 W N 0.756 122.062 121.300 0.009 0.000 2.335 27 W HA 0.083 4.744 4.660 0.001 0.000 0.311 27 W C -1.197 175.342 176.519 0.033 0.000 1.213 27 W CA 1.775 59.179 57.345 0.099 0.000 1.274 27 W CB -1.703 27.844 29.460 0.146 0.000 1.148 27 W HN 0.575 nan 8.180 nan 0.000 0.498 28 P HA -0.267 nan 4.420 nan 0.000 0.215 28 P C 1.431 178.771 177.300 0.066 0.000 1.157 28 P CA 1.982 65.155 63.100 0.122 0.000 0.868 28 P CB -0.267 31.476 31.700 0.073 0.000 0.788 29 Q N -0.426 119.371 119.800 -0.005 0.000 2.096 29 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 29 Q C 2.030 178.028 176.000 -0.004 0.000 0.982 29 Q CA 1.565 57.344 55.803 -0.041 0.000 0.850 29 Q CB -0.504 28.155 28.738 -0.131 0.000 0.901 29 Q HN 0.203 nan 8.270 nan 0.000 0.422 30 I N 0.320 120.896 120.570 0.011 0.000 2.193 30 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 30 I C 2.275 178.505 176.117 0.188 0.000 1.084 30 I CA 0.828 62.181 61.300 0.088 0.000 1.365 30 I CB -0.225 37.814 38.000 0.065 0.000 1.064 30 I HN 0.245 nan 8.210 nan 0.000 0.410 31 L N 0.503 121.873 121.223 0.246 0.000 2.083 31 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 31 L C 2.686 179.636 176.870 0.133 0.000 1.083 31 L CA 1.456 56.433 54.840 0.229 0.000 0.752 31 L CB -1.168 41.037 42.059 0.243 0.000 0.899 31 L HN 0.326 nan 8.230 nan 0.000 0.433 32 G N -0.335 108.524 108.800 0.100 0.000 2.418 32 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 32 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 32 G C 1.769 176.699 174.900 0.051 0.000 1.158 32 G CA 0.573 45.709 45.100 0.061 0.000 0.771 32 G HN 0.232 nan 8.290 nan 0.000 0.545 33 R N -0.253 120.279 120.500 0.054 0.000 2.081 33 R HA 0.059 4.399 4.340 -0.000 0.000 0.235 33 R C 2.629 178.958 176.300 0.049 0.000 1.131 33 R CA 1.000 57.127 56.100 0.044 0.000 0.960 33 R CB -0.333 29.992 30.300 0.041 0.000 0.856 33 R HN 0.389 nan 8.270 nan 0.000 0.436 34 L N -0.059 121.208 121.223 0.075 0.000 2.017 34 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 34 L C 2.622 179.514 176.870 0.037 0.000 1.073 34 L CA 1.972 56.849 54.840 0.062 0.000 0.745 34 L CB -0.722 41.396 42.059 0.097 0.000 0.894 34 L HN 0.417 nan 8.230 nan 0.000 0.432 35 T N -4.691 109.889 114.554 0.043 0.000 2.995 35 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 35 T C 1.287 175.998 174.700 0.018 0.000 1.091 35 T CA 0.938 63.054 62.100 0.027 0.000 1.128 35 T CB -0.312 68.575 68.868 0.031 0.000 0.891 35 T HN 0.154 nan 8.240 nan 0.000 0.492 36 D N 1.920 122.333 120.400 0.021 0.000 2.363 36 D HA 0.085 4.725 4.640 -0.000 0.000 0.226 36 D C 0.310 176.615 176.300 0.009 0.000 1.020 36 D CA 0.092 54.100 54.000 0.013 0.000 0.892 36 D CB -0.746 40.062 40.800 0.014 0.000 0.900 36 D HN 0.600 nan 8.370 nan 0.000 0.531 37 N N 0.060 118.764 118.700 0.008 0.000 2.735 37 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 37 N C -0.394 175.117 175.510 0.003 0.000 1.083 37 N CA 0.420 53.471 53.050 0.002 0.000 0.703 37 N CB -0.663 37.823 38.487 -0.002 0.000 1.005 37 N HN 0.210 nan 8.380 nan 0.000 0.550 38 R N 0.086 120.591 120.500 0.009 0.000 2.758 38 R HA 0.401 4.741 4.340 -0.000 0.000 0.265 38 R C -0.349 175.958 176.300 0.012 0.000 1.016 38 R CA -0.910 55.195 56.100 0.009 0.000 1.040 38 R CB 0.989 31.295 30.300 0.011 0.000 1.152 38 R HN 0.036 nan 8.270 nan 0.000 0.503 39 D N 1.055 121.461 120.400 0.009 0.000 2.358 39 D HA 0.158 4.798 4.640 -0.000 0.000 0.244 39 D C 0.245 176.561 176.300 0.027 0.000 1.163 39 D CA -0.114 53.894 54.000 0.014 0.000 0.945 39 D CB 0.744 41.548 40.800 0.008 0.000 1.152 39 D HN 0.176 nan 8.370 nan 0.000 0.451 40 L N 0.803 122.052 121.223 0.043 0.000 2.452 40 L HA 0.309 4.649 4.340 -0.000 0.000 0.267 40 L C 0.925 177.811 176.870 0.028 0.000 1.188 40 L CA -0.667 54.205 54.840 0.053 0.000 0.821 40 L CB 0.398 42.516 42.059 0.098 0.000 1.102 40 L HN 0.334 nan 8.230 nan 0.000 0.470 41 A N 2.809 125.636 122.820 0.012 0.000 2.386 41 A HA 0.209 4.529 4.320 -0.000 0.000 0.248 41 A C 0.378 177.963 177.584 0.001 0.000 1.082 41 A CA -0.316 51.718 52.037 -0.004 0.000 0.789 41 A CB 0.150 19.135 19.000 -0.026 0.000 1.025 41 A HN 0.833 nan 8.150 nan 0.000 0.490 42 R N 0.342 120.841 120.500 -0.002 0.000 2.583 42 R HA 0.244 4.584 4.340 -0.000 0.000 0.274 42 R C 1.373 177.671 176.300 -0.003 0.000 0.998 42 R CA 1.650 57.751 56.100 0.001 0.000 1.081 42 R CB -0.200 30.099 30.300 -0.003 0.000 0.940 42 R HN 1.719 nan 8.270 nan 0.000 0.413 43 G N 2.416 111.223 108.800 0.013 0.000 2.253 43 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.251 43 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.251 43 G C 0.794 175.716 174.900 0.037 0.000 0.998 43 G CA 0.517 45.629 45.100 0.020 0.000 0.621 43 G HN 0.682 nan 8.290 nan 0.000 0.524 44 Q N 0.075 119.889 119.800 0.023 0.000 2.049 44 Q HA 0.278 4.618 4.340 -0.000 0.000 0.198 44 Q C 3.146 179.196 176.000 0.083 0.000 0.971 44 Q CA 1.705 57.519 55.803 0.018 0.000 0.833 44 Q CB -0.225 28.512 28.738 -0.001 0.000 0.896 44 Q HN 0.790 nan 8.270 nan 0.000 0.434 45 A N 1.317 124.222 122.820 0.141 0.000 1.883 45 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 45 A C 2.306 179.973 177.584 0.139 0.000 1.186 45 A CA 1.809 53.989 52.037 0.239 0.000 0.624 45 A CB -0.924 18.217 19.000 0.235 0.000 0.822 45 A HN 0.414 nan 8.150 nan 0.000 0.444 46 A N -1.539 121.336 122.820 0.092 0.000 1.883 46 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 46 A C 2.030 179.626 177.584 0.021 0.000 1.186 46 A CA 1.682 53.751 52.037 0.054 0.000 0.624 46 A CB -1.010 18.020 19.000 0.050 0.000 0.822 46 A HN 0.889 nan 8.150 nan 0.000 0.444 47 W N 0.526 121.737 121.300 -0.150 0.000 2.354 47 W HA -0.123 4.537 4.660 -0.000 0.000 0.315 47 W C 2.499 178.808 176.519 -0.350 0.000 1.206 47 W CA 2.443 59.653 57.345 -0.225 0.000 1.290 47 W CB -0.286 29.018 29.460 -0.259 0.000 1.152 47 W HN 0.370 nan 8.180 nan 0.000 0.489 48 A N 0.201 122.859 122.820 -0.269 0.000 1.892 48 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 48 A C 1.955 179.273 177.584 -0.444 0.000 1.188 48 A CA 2.471 54.047 52.037 -0.770 0.000 0.631 48 A CB -1.094 17.178 19.000 -1.213 0.000 0.822 48 A HN 0.427 nan 8.150 nan 0.000 0.447 49 M N -0.089 119.388 119.600 -0.205 0.000 2.117 49 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 49 M C 1.550 177.729 176.300 -0.201 0.000 1.065 49 M CA 2.329 57.563 55.300 -0.111 0.000 1.114 49 M CB -0.603 31.979 32.600 -0.030 0.000 1.361 49 M HN 0.505 nan 8.290 nan 0.000 0.408 50 D N -1.168 119.094 120.400 -0.230 0.000 2.117 50 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 50 D C 1.886 177.988 176.300 -0.330 0.000 0.982 50 D CA 1.121 54.995 54.000 -0.210 0.000 0.828 50 D CB 0.058 40.769 40.800 -0.149 0.000 0.967 50 D HN 0.349 nan 8.370 nan 0.000 0.464 51 Q N 0.081 119.563 119.800 -0.531 0.000 2.096 51 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 51 Q C 2.561 178.442 176.000 -0.198 0.000 0.982 51 Q CA 0.921 56.450 55.803 -0.456 0.000 0.850 51 Q CB -0.328 27.991 28.738 -0.698 0.000 0.901 51 Q HN 0.514 nan 8.270 nan 0.000 0.422 52 I N 0.206 120.696 120.570 -0.134 0.000 2.179 52 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 52 I C 2.345 178.359 176.117 -0.172 0.000 1.088 52 I CA 1.009 62.261 61.300 -0.079 0.000 1.357 52 I CB -0.294 37.696 38.000 -0.015 0.000 1.051 52 I HN 0.194 nan 8.210 nan 0.000 0.409 53 M N 0.173 119.602 119.600 -0.286 0.000 2.296 53 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 53 M C 2.197 178.258 176.300 -0.399 0.000 1.064 53 M CA 1.708 56.751 55.300 -0.428 0.000 1.109 53 M CB -1.126 31.005 32.600 -0.781 0.000 1.396 53 M HN 0.400 nan 8.290 nan 0.000 0.430 54 T N -3.287 111.090 114.554 -0.295 0.000 3.107 54 T HA 0.348 4.698 4.350 -0.000 0.000 0.249 54 T C 1.329 175.965 174.700 -0.107 0.000 1.096 54 T CA 0.626 62.627 62.100 -0.165 0.000 1.012 54 T CB -0.062 68.743 68.868 -0.105 0.000 0.977 54 T HN 0.575 nan 8.240 nan 0.000 0.527 55 G N 1.647 110.381 108.800 -0.110 0.000 2.143 55 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.249 55 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.249 55 G C 0.510 175.380 174.900 -0.050 0.000 0.981 55 G CA 0.204 45.263 45.100 -0.069 0.000 0.665 55 G HN 0.596 nan 8.290 nan 0.000 0.528 56 N N 0.222 118.888 118.700 -0.057 0.000 2.353 56 N HA 0.496 5.236 4.740 -0.000 0.000 0.185 56 N C 1.033 176.554 175.510 0.019 0.000 1.098 56 N CA 0.578 53.611 53.050 -0.027 0.000 0.872 56 N CB 0.415 38.869 38.487 -0.055 0.000 0.970 56 N HN 0.737 nan 8.380 nan 0.000 0.467 57 A N 0.529 123.354 122.820 0.009 0.000 2.303 57 A HA 0.801 5.121 4.320 -0.000 0.000 0.317 57 A C 0.441 177.970 177.584 -0.091 0.000 1.149 57 A CA -0.562 51.470 52.037 -0.008 0.000 0.822 57 A CB 0.443 19.453 19.000 0.016 0.000 1.131 57 A HN 0.318 nan 8.150 nan 0.000 0.493 58 R N 2.083 122.481 120.500 -0.169 0.000 2.500 58 R HA 0.600 4.940 4.340 -0.000 0.000 0.277 58 R C -2.063 174.145 176.300 -0.153 0.000 1.026 58 R CA -1.338 54.681 56.100 -0.134 0.000 1.058 58 R CB -1.223 29.002 30.300 -0.125 0.000 1.078 58 R HN 0.624 nan 8.270 nan 0.000 0.509 59 P HA -0.315 nan 4.420 nan 0.000 0.217 59 P C 1.461 178.698 177.300 -0.105 0.000 1.158 59 P CA 2.698 65.751 63.100 -0.078 0.000 0.887 59 P CB 0.103 31.771 31.700 -0.052 0.000 0.792 60 A N -0.739 122.009 122.820 -0.121 0.000 1.883 60 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 60 A C 2.249 179.716 177.584 -0.195 0.000 1.186 60 A CA 2.054 54.015 52.037 -0.127 0.000 0.624 60 A CB -1.390 17.543 19.000 -0.111 0.000 0.822 60 A HN 0.245 nan 8.150 nan 0.000 0.444 61 Q N -0.465 119.124 119.800 -0.352 0.000 2.050 61 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 61 Q C 2.090 177.790 176.000 -0.500 0.000 0.980 61 Q CA 1.653 57.047 55.803 -0.681 0.000 0.840 61 Q CB -0.387 27.559 28.738 -1.321 0.000 0.898 61 Q HN 0.756 nan 8.270 nan 0.000 0.424 62 I N 0.776 121.172 120.570 -0.290 0.000 2.127 62 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 62 I C 2.474 178.623 176.117 0.053 0.000 1.075 62 I CA 1.173 62.469 61.300 -0.007 0.000 1.334 62 I CB -0.545 37.478 38.000 0.039 0.000 1.040 62 I HN 0.188 nan 8.210 nan 0.000 0.405 63 A N 0.773 123.577 122.820 -0.027 0.000 1.873 63 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 63 A C 2.575 180.135 177.584 -0.040 0.000 1.186 63 A CA 1.851 53.867 52.037 -0.035 0.000 0.616 63 A CB -0.943 18.030 19.000 -0.045 0.000 0.823 63 A HN 0.433 nan 8.150 nan 0.000 0.442 64 A N -1.187 121.615 122.820 -0.029 0.000 1.883 64 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 64 A C 2.082 179.707 177.584 0.069 0.000 1.186 64 A CA 1.787 53.826 52.037 0.004 0.000 0.624 64 A CB -0.741 18.264 19.000 0.008 0.000 0.822 64 A HN 0.683 nan 8.150 nan 0.000 0.444 65 F N 0.824 120.764 119.950 -0.016 0.000 2.113 65 F HA 0.027 4.554 4.527 -0.000 0.000 0.297 65 F C 2.551 178.327 175.800 -0.040 0.000 1.103 65 F CA 0.987 59.043 58.000 0.094 0.000 1.248 65 F CB -0.623 38.572 39.000 0.324 0.000 0.999 65 F HN 0.248 nan 8.300 nan 0.000 0.475 66 A N -0.066 122.631 122.820 -0.204 0.000 1.883 66 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 66 A C 2.338 179.630 177.584 -0.487 0.000 1.186 66 A CA 2.279 53.926 52.037 -0.649 0.000 0.624 66 A CB -1.428 17.221 19.000 -0.585 0.000 0.822 66 A HN 0.278 nan 8.150 nan 0.000 0.444 67 V N -0.258 119.490 119.914 -0.277 0.000 2.307 67 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 67 V C 3.083 179.051 176.094 -0.209 0.000 1.045 67 V CA 1.915 64.089 62.300 -0.210 0.000 1.024 67 V CB -1.309 30.438 31.823 -0.127 0.000 0.651 67 V HN 0.636 nan 8.190 nan 0.000 0.449 68 A N -0.359 122.351 122.820 -0.184 0.000 1.892 68 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 68 A C 2.147 179.589 177.584 -0.236 0.000 1.188 68 A CA 2.208 54.149 52.037 -0.159 0.000 0.631 68 A CB -0.493 18.459 19.000 -0.080 0.000 0.822 68 A HN 0.428 nan 8.150 nan 0.000 0.447 69 M N -0.266 119.096 119.600 -0.397 0.000 2.557 69 M HA -0.028 4.452 4.480 -0.000 0.000 0.259 69 M C 1.679 177.792 176.300 -0.311 0.000 1.086 69 M CA 1.346 56.402 55.300 -0.407 0.000 1.096 69 M CB -1.442 30.773 32.600 -0.640 0.000 1.424 69 M HN 0.438 nan 8.290 nan 0.000 0.488 70 T N -0.154 114.216 114.554 -0.307 0.000 3.009 70 T HA 0.115 4.465 4.350 -0.000 0.000 0.258 70 T C 1.899 176.472 174.700 -0.211 0.000 1.063 70 T CA 0.693 62.635 62.100 -0.264 0.000 1.139 70 T CB 0.166 68.875 68.868 -0.265 0.000 0.890 70 T HN 0.292 nan 8.240 nan 0.000 0.471 71 M N 0.551 120.045 119.600 -0.178 0.000 2.236 71 M HA 0.117 4.597 4.480 -0.000 0.000 0.266 71 M C 1.170 177.401 176.300 -0.115 0.000 1.070 71 M CA 0.867 56.088 55.300 -0.132 0.000 1.137 71 M CB 0.012 32.550 32.600 -0.104 0.000 1.378 71 M HN -0.019 nan 8.290 nan 0.000 0.426 72 K N 1.563 121.891 120.400 -0.119 0.000 2.270 72 K HA 0.390 4.710 4.320 -0.000 0.000 0.276 72 K C -0.541 176.001 176.600 -0.097 0.000 1.023 72 K CA -0.380 55.852 56.287 -0.091 0.000 0.955 72 K CB 0.945 33.396 32.500 -0.082 0.000 0.975 72 K HN 0.114 nan 8.250 nan 0.000 0.471 73 A N 5.560 128.336 122.820 -0.073 0.000 2.540 73 A HA 0.173 4.493 4.320 -0.000 0.000 0.239 73 A C -2.086 175.454 177.584 -0.073 0.000 1.061 73 A CA -0.927 51.068 52.037 -0.070 0.000 0.758 73 A CB -0.453 18.520 19.000 -0.046 0.000 0.991 73 A HN 0.610 nan 8.150 nan 0.000 0.502 74 P HA 0.328 nan 4.420 nan 0.000 0.274 74 P C -0.217 177.049 177.300 -0.057 0.000 1.231 74 P CA 0.038 63.092 63.100 -0.077 0.000 0.790 74 P CB 1.088 32.733 31.700 -0.091 0.000 0.951 75 T N -2.956 111.571 114.554 -0.045 0.000 2.907 75 T HA 0.589 4.939 4.350 -0.000 0.000 0.292 75 T C 1.109 175.787 174.700 -0.036 0.000 1.043 75 T CA -0.354 61.725 62.100 -0.034 0.000 1.003 75 T CB 1.563 70.421 68.868 -0.018 0.000 1.084 75 T HN 0.296 nan 8.240 nan 0.000 0.483 76 A N 1.495 124.293 122.820 -0.037 0.000 1.902 76 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 76 A C 1.890 179.456 177.584 -0.029 0.000 1.181 76 A CA 1.731 53.743 52.037 -0.042 0.000 0.623 76 A CB -1.001 17.978 19.000 -0.035 0.000 0.818 76 A HN 0.895 nan 8.150 nan 0.000 0.443 77 D N -0.229 120.162 120.400 -0.015 0.000 2.097 77 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 77 D C 1.971 178.274 176.300 0.006 0.000 0.989 77 D CA 1.619 55.616 54.000 -0.004 0.000 0.827 77 D CB -0.348 40.454 40.800 0.002 0.000 0.966 77 D HN 0.671 nan 8.370 nan 0.000 0.456 78 E N 0.083 120.290 120.200 0.012 0.000 2.046 78 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 78 E C 2.346 178.968 176.600 0.036 0.000 0.982 78 E CA 0.457 56.880 56.400 0.038 0.000 0.800 78 E CB 0.081 29.805 29.700 0.041 0.000 0.756 78 E HN 0.016 nan 8.360 nan 0.000 0.449 79 V N 1.124 121.040 119.914 0.003 0.000 2.332 79 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 79 V C 2.365 178.442 176.094 -0.028 0.000 1.055 79 V CA 2.069 64.362 62.300 -0.012 0.000 1.038 79 V CB -1.133 30.662 31.823 -0.047 0.000 0.651 79 V HN 0.452 nan 8.190 nan 0.000 0.450 80 G N -0.651 108.124 108.800 -0.041 0.000 2.469 80 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 80 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 80 G C 1.465 176.353 174.900 -0.022 0.000 1.150 80 G CA 1.036 46.106 45.100 -0.050 0.000 0.763 80 G HN 0.588 nan 8.290 nan 0.000 0.561 81 E N 0.041 120.244 120.200 0.006 0.000 2.028 81 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 81 E C 2.667 179.287 176.600 0.034 0.000 0.988 81 E CA 0.607 57.022 56.400 0.026 0.000 0.799 81 E CB -0.232 29.498 29.700 0.050 0.000 0.755 81 E HN 0.388 nan 8.360 nan 0.000 0.447 82 L N 0.721 121.979 121.223 0.058 0.000 1.989 82 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 82 L C 2.661 179.532 176.870 0.002 0.000 1.071 82 L CA 1.331 56.209 54.840 0.063 0.000 0.749 82 L CB -0.599 41.533 42.059 0.122 0.000 0.890 82 L HN 0.156 nan 8.230 nan 0.000 0.431 83 A N 0.138 122.950 122.820 -0.013 0.000 1.930 83 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 83 A C 2.396 179.963 177.584 -0.029 0.000 1.175 83 A CA 1.566 53.580 52.037 -0.038 0.000 0.627 83 A CB -1.166 17.790 19.000 -0.073 0.000 0.815 83 A HN 0.462 nan 8.150 nan 0.000 0.443 84 G N -0.463 108.323 108.800 -0.024 0.000 2.418 84 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 84 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 84 G C 1.506 176.405 174.900 -0.002 0.000 1.158 84 G CA 1.271 46.360 45.100 -0.018 0.000 0.771 84 G HN 0.305 nan 8.290 nan 0.000 0.545 85 V N 1.108 121.030 119.914 0.012 0.000 2.307 85 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 85 V C 2.914 179.075 176.094 0.112 0.000 1.045 85 V CA 2.103 64.434 62.300 0.052 0.000 1.024 85 V CB -0.466 31.381 31.823 0.040 0.000 0.651 85 V HN 0.368 nan 8.190 nan 0.000 0.449 86 M N -0.903 118.718 119.600 0.035 0.000 2.080 86 M HA -0.226 4.254 4.480 -0.000 0.000 0.260 86 M C 2.246 178.615 176.300 0.115 0.000 1.068 86 M CA 1.850 57.166 55.300 0.026 0.000 1.109 86 M CB -0.600 31.950 32.600 -0.084 0.000 1.342 86 M HN 0.308 nan 8.290 nan 0.000 0.405 87 L N 0.580 121.846 121.223 0.071 0.000 2.042 87 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 87 L C 2.770 179.663 176.870 0.038 0.000 1.076 87 L CA 2.318 57.200 54.840 0.071 0.000 0.749 87 L CB -0.865 41.204 42.059 0.017 0.000 0.893 87 L HN 0.439 nan 8.230 nan 0.000 0.432 88 S N -2.287 113.411 115.700 -0.003 0.000 2.442 88 S HA -0.198 4.272 4.470 -0.000 0.000 0.236 88 S C 1.797 176.283 174.600 -0.190 0.000 1.007 88 S CA 1.031 59.169 58.200 -0.105 0.000 0.965 88 S CB -0.780 62.322 63.200 -0.164 0.000 0.773 88 S HN 0.607 nan 8.310 nan 0.000 0.504 89 H N 1.066 120.118 119.070 -0.029 0.000 2.539 89 H HA 0.520 5.076 4.556 0.000 0.000 0.269 89 H C 0.972 176.263 175.328 -0.062 0.000 0.980 89 H CA 0.387 56.404 56.048 -0.052 0.000 1.152 89 H CB 0.004 29.741 29.762 -0.043 0.000 1.407 89 H HN 0.556 nan 8.280 nan 0.000 0.564 90 A N 0.837 123.696 122.820 0.066 0.000 2.340 90 A HA 0.213 4.533 4.320 -0.000 0.000 0.268 90 A C -0.535 177.012 177.584 -0.061 0.000 1.100 90 A CA -0.398 51.625 52.037 -0.023 0.000 0.803 90 A CB 0.011 18.953 19.000 -0.098 0.000 1.043 90 A HN 0.369 nan 8.150 nan 0.000 0.488 91 H N 2.156 121.220 119.070 -0.011 0.000 2.886 91 H HA 0.290 4.846 4.556 -0.000 0.000 0.329 91 H C -1.936 173.443 175.328 0.086 0.000 1.044 91 H CA -0.027 56.009 56.048 -0.020 0.000 1.456 91 H CB 0.192 29.844 29.762 -0.184 0.000 1.464 91 H HN 0.497 nan 8.280 nan 0.000 0.573 92 P HA 0.117 nan 4.420 nan 0.000 0.279 92 P C -0.250 177.158 177.300 0.181 0.000 1.276 92 P CA -0.646 62.536 63.100 0.136 0.000 0.801 92 P CB 1.289 33.025 31.700 0.060 0.000 1.127 93 L N 0.845 122.160 121.223 0.153 0.000 2.453 93 L HA 0.301 4.641 4.340 -0.000 0.000 0.261 93 L C -1.826 175.091 176.870 0.079 0.000 1.179 93 L CA -1.768 53.156 54.840 0.140 0.000 0.813 93 L CB -0.131 41.992 42.059 0.106 0.000 1.110 93 L HN 0.256 nan 8.230 nan 0.000 0.466 94 P HA 0.057 nan 4.420 nan 0.000 0.269 94 P C -0.726 176.594 177.300 0.032 0.000 1.209 94 P CA -0.375 62.750 63.100 0.042 0.000 0.776 94 P CB 0.463 32.186 31.700 0.037 0.000 0.876 95 A N 2.553 125.387 122.820 0.023 0.000 2.565 95 A HA 0.051 4.371 4.320 -0.000 0.000 0.237 95 A C 0.661 178.254 177.584 0.015 0.000 1.053 95 A CA 0.422 52.469 52.037 0.017 0.000 0.755 95 A CB -0.818 18.189 19.000 0.011 0.000 0.980 95 A HN 0.749 nan 8.150 nan 0.000 0.506 96 D N 0.651 121.058 120.400 0.011 0.000 2.981 96 D HA -0.161 4.479 4.640 -0.000 0.000 0.223 96 D C 0.944 177.250 176.300 0.009 0.000 1.151 96 D CA 1.868 55.873 54.000 0.008 0.000 0.827 96 D CB -1.894 38.910 40.800 0.007 0.000 1.101 96 D HN 0.993 nan 8.370 nan 0.000 0.426 97 T N -4.301 110.261 114.554 0.013 0.000 3.001 97 T HA 0.306 4.656 4.350 -0.000 0.000 0.251 97 T C 0.781 175.482 174.700 0.002 0.000 1.040 97 T CA -0.106 62.001 62.100 0.012 0.000 0.985 97 T CB 0.786 69.670 68.868 0.026 0.000 1.011 97 T HN 0.038 nan 8.240 nan 0.000 0.509 98 V N 3.891 123.805 119.914 0.000 0.000 2.364 98 V HA 0.395 4.515 4.120 -0.000 0.000 0.272 98 V C -2.328 173.760 176.094 -0.010 0.000 1.036 98 V CA -2.134 60.160 62.300 -0.010 0.000 0.880 98 V CB 0.860 32.678 31.823 -0.009 0.000 0.991 98 V HN 0.234 nan 8.190 nan 0.000 0.460 99 P HA 0.089 nan 4.420 nan 0.000 0.265 99 P C 0.430 177.729 177.300 -0.001 0.000 1.193 99 P CA -0.054 63.041 63.100 -0.008 0.000 0.765 99 P CB 0.552 32.245 31.700 -0.012 0.000 0.823 100 D N 1.174 121.573 120.400 -0.001 0.000 2.271 100 D HA -0.167 4.473 4.640 -0.000 0.000 0.207 100 D C 0.864 177.163 176.300 -0.002 0.000 0.983 100 D CA 1.389 55.386 54.000 -0.004 0.000 0.878 100 D CB -0.193 40.602 40.800 -0.009 0.000 0.920 100 D HN 0.540 nan 8.370 nan 0.000 0.479 101 D N -0.886 119.526 120.400 0.020 0.000 2.501 101 D HA 0.191 4.831 4.640 -0.000 0.000 0.226 101 D C 0.160 176.531 176.300 0.118 0.000 1.198 101 D CA -0.381 53.654 54.000 0.058 0.000 0.830 101 D CB -0.399 40.462 40.800 0.102 0.000 1.014 101 D HN -0.039 nan 8.370 nan 0.000 0.496 102 A N 0.539 123.383 122.820 0.040 0.000 2.407 102 A HA 0.503 4.823 4.320 -0.000 0.000 0.248 102 A C 0.479 178.072 177.584 0.015 0.000 1.082 102 A CA -0.278 51.765 52.037 0.010 0.000 0.785 102 A CB 0.735 19.723 19.000 -0.020 0.000 1.020 102 A HN 0.445 nan 8.150 nan 0.000 0.489 103 V N -0.437 119.470 119.914 -0.011 0.000 2.960 103 V HA 0.713 4.833 4.120 -0.000 0.000 0.315 103 V C -0.652 175.427 176.094 -0.025 0.000 1.087 103 V CA -0.983 61.307 62.300 -0.018 0.000 0.982 103 V CB 1.914 33.721 31.823 -0.026 0.000 1.039 103 V HN 0.810 nan 8.190 nan 0.000 0.437 104 D N 1.113 121.502 120.400 -0.017 0.000 2.217 104 D HA 0.682 5.322 4.640 -0.000 0.000 0.248 104 D C -1.073 175.228 176.300 0.002 0.000 1.008 104 D CA -0.226 53.781 54.000 0.011 0.000 0.914 104 D CB 2.060 42.888 40.800 0.047 0.000 1.182 104 D HN 0.586 nan 8.370 nan 0.000 0.451 105 V N 3.110 123.042 119.914 0.030 0.000 2.462 105 V HA 0.489 4.609 4.120 -0.000 0.000 0.288 105 V C -0.556 175.576 176.094 0.062 0.000 1.020 105 V CA -0.702 61.613 62.300 0.025 0.000 0.857 105 V CB 1.617 33.445 31.823 0.009 0.000 1.013 105 V HN 0.388 nan 8.190 nan 0.000 0.431 106 V N 3.596 123.548 119.914 0.064 0.000 3.077 106 V HA 0.939 5.059 4.120 -0.000 0.000 0.299 106 V C -0.041 176.101 176.094 0.080 0.000 1.276 106 V CA 0.290 62.642 62.300 0.086 0.000 0.993 106 V CB 2.576 34.467 31.823 0.113 0.000 1.076 106 V HN 0.919 nan 8.190 nan 0.000 0.434 107 G N 1.441 110.286 108.800 0.075 0.000 2.417 107 G HA2 0.505 4.465 3.960 -0.000 0.000 0.334 107 G HA3 0.505 4.465 3.960 -0.000 0.000 0.334 107 G C 0.778 175.725 174.900 0.079 0.000 1.150 107 G CA 0.254 45.397 45.100 0.072 0.000 0.923 107 G HN 1.246 nan 8.290 nan 0.000 0.485 108 T N -1.345 113.259 114.554 0.084 0.000 3.043 108 T HA 0.351 4.701 4.350 -0.000 0.000 0.263 108 T C 1.659 176.407 174.700 0.081 0.000 1.094 108 T CA 1.082 63.239 62.100 0.096 0.000 1.127 108 T CB -0.526 68.422 68.868 0.133 0.000 0.905 108 T HN 2.153 nan 8.240 nan 0.000 0.490 109 G N 0.912 109.738 108.800 0.042 0.000 2.633 109 G HA2 0.290 4.250 3.960 -0.000 0.000 0.263 109 G HA3 0.290 4.250 3.960 -0.000 0.000 0.263 109 G C 0.338 175.245 174.900 0.011 0.000 1.310 109 G CA -0.206 44.904 45.100 0.017 0.000 0.914 109 G HN 2.025 nan 8.290 nan 0.000 0.569 113 V N 2.026 121.928 119.914 -0.020 0.000 2.465 113 V HA 0.587 4.707 4.120 -0.000 0.000 0.279 113 V C -0.404 175.683 176.094 -0.012 0.000 1.045 113 V CA -0.715 61.566 62.300 -0.031 0.000 0.938 113 V CB 1.592 33.373 31.823 -0.071 0.000 0.986 113 V HN 0.296 nan 8.190 nan 0.000 0.467 114 N N 2.914 121.612 118.700 -0.004 0.000 2.533 114 N HA 0.236 4.976 4.740 -0.000 0.000 0.289 114 N C -0.104 175.410 175.510 0.006 0.000 1.103 114 N CA -0.193 52.861 53.050 0.007 0.000 0.877 114 N CB 2.290 40.785 38.487 0.014 0.000 1.419 114 N HN 0.729 nan 8.380 nan 0.000 0.517 115 T N -0.313 114.247 114.554 0.010 0.000 3.293 115 T HA 0.137 4.487 4.350 -0.000 0.000 0.276 115 T C 1.588 176.299 174.700 0.019 0.000 1.003 115 T CA -0.256 61.849 62.100 0.010 0.000 0.916 115 T CB -0.027 68.844 68.868 0.005 0.000 1.134 115 T HN 0.073 nan 8.240 nan 0.000 0.530 116 V N 3.085 123.013 119.914 0.023 0.000 2.380 116 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 116 V C 2.971 179.078 176.094 0.021 0.000 1.063 116 V CA 2.298 64.615 62.300 0.028 0.000 1.055 116 V CB -0.811 31.028 31.823 0.027 0.000 0.657 116 V HN 0.787 nan 8.190 nan 0.000 0.455 117 N N 1.345 120.053 118.700 0.013 0.000 2.036 117 N HA -0.240 4.500 4.740 -0.000 0.000 0.195 117 N C 1.767 177.287 175.510 0.015 0.000 1.037 117 N CA 2.276 55.332 53.050 0.011 0.000 0.855 117 N CB -0.933 37.558 38.487 0.006 0.000 1.033 117 N HN 0.475 nan 8.380 nan 0.000 0.423 118 L N 0.032 121.263 121.223 0.014 0.000 2.056 118 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 118 L C 2.872 179.754 176.870 0.019 0.000 1.078 118 L CA 1.385 56.232 54.840 0.012 0.000 0.749 118 L CB -0.671 41.389 42.059 0.003 0.000 0.901 118 L HN 0.276 nan 8.230 nan 0.000 0.433 119 S N -0.741 114.976 115.700 0.028 0.000 2.368 119 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 119 S C 2.008 176.640 174.600 0.054 0.000 1.029 119 S CA 1.946 60.170 58.200 0.040 0.000 0.988 119 S CB -0.187 63.044 63.200 0.053 0.000 0.838 119 S HN 0.409 nan 8.310 nan 0.000 0.462 120 T N 2.442 117.030 114.554 0.056 0.000 2.674 120 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 120 T C 1.874 176.619 174.700 0.075 0.000 1.039 120 T CA 1.745 63.889 62.100 0.074 0.000 1.150 120 T CB -0.329 68.565 68.868 0.044 0.000 0.864 120 T HN 0.402 nan 8.240 nan 0.000 0.427 121 M N 0.924 120.553 119.600 0.048 0.000 2.080 121 M HA -0.083 4.397 4.480 -0.000 0.000 0.260 121 M C 2.824 179.143 176.300 0.032 0.000 1.068 121 M CA 1.692 57.017 55.300 0.042 0.000 1.109 121 M CB -0.518 32.099 32.600 0.028 0.000 1.342 121 M HN 0.309 nan 8.290 nan 0.000 0.405 122 A N 0.406 123.239 122.820 0.021 0.000 1.902 122 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 122 A C 2.379 179.960 177.584 -0.005 0.000 1.181 122 A CA 1.945 53.983 52.037 0.002 0.000 0.623 122 A CB -0.940 18.057 19.000 -0.004 0.000 0.818 122 A HN 0.512 nan 8.150 nan 0.000 0.443 123 A N -0.113 122.717 122.820 0.017 0.000 1.902 123 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 123 A C 2.119 179.685 177.584 -0.030 0.000 1.181 123 A CA 1.603 53.642 52.037 0.002 0.000 0.623 123 A CB -0.590 18.443 19.000 0.055 0.000 0.818 123 A HN 0.500 nan 8.150 nan 0.000 0.443 124 I N -0.599 119.981 120.570 0.017 0.000 2.252 124 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 124 I C 2.326 178.426 176.117 -0.028 0.000 1.102 124 I CA 0.921 62.226 61.300 0.009 0.000 1.385 124 I CB -0.218 37.844 38.000 0.103 0.000 1.064 124 I HN 0.152 nan 8.210 nan 0.000 0.414 125 V N 0.285 120.188 119.914 -0.017 0.000 2.295 125 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 125 V C 2.436 178.491 176.094 -0.065 0.000 1.049 125 V CA 1.563 63.844 62.300 -0.031 0.000 1.024 125 V CB -0.430 31.383 31.823 -0.016 0.000 0.648 125 V HN 0.225 nan 8.190 nan 0.000 0.447 126 V N 0.395 120.260 119.914 -0.081 0.000 2.255 126 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 126 V C 2.750 178.758 176.094 -0.143 0.000 1.051 126 V CA 2.162 64.391 62.300 -0.119 0.000 1.018 126 V CB -1.247 30.503 31.823 -0.121 0.000 0.641 126 V HN 0.564 nan 8.190 nan 0.000 0.445 127 A N 0.006 122.738 122.820 -0.147 0.000 1.908 127 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 127 A C 2.369 179.866 177.584 -0.145 0.000 1.181 127 A CA 2.290 54.221 52.037 -0.176 0.000 0.627 127 A CB -0.806 18.052 19.000 -0.237 0.000 0.818 127 A HN 0.623 nan 8.150 nan 0.000 0.445 128 A N -0.598 122.156 122.820 -0.110 0.000 2.067 128 A HA 0.305 4.625 4.320 -0.000 0.000 0.219 128 A C 2.213 179.749 177.584 -0.080 0.000 1.158 128 A CA 1.511 53.500 52.037 -0.081 0.000 0.661 128 A CB -0.668 18.302 19.000 -0.050 0.000 0.801 128 A HN 1.077 nan 8.150 nan 0.000 0.452 129 A N -1.632 121.130 122.820 -0.096 0.000 2.235 129 A HA 0.398 4.718 4.320 -0.000 0.000 0.208 129 A C 1.727 179.238 177.584 -0.123 0.000 1.172 129 A CA 1.203 53.179 52.037 -0.101 0.000 0.786 129 A CB -0.888 18.043 19.000 -0.114 0.000 0.804 129 A HN 1.811 nan 8.150 nan 0.000 0.479 130 G N -2.029 106.692 108.800 -0.132 0.000 2.141 130 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.231 130 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.231 130 G C 0.027 174.812 174.900 -0.191 0.000 0.984 130 G CA 0.063 45.081 45.100 -0.137 0.000 0.660 130 G HN 0.793 nan 8.290 nan 0.000 0.525 131 V N 1.939 121.703 119.914 -0.250 0.000 2.370 131 V HA 0.469 4.589 4.120 -0.000 0.000 0.279 131 V C -1.792 174.168 176.094 -0.224 0.000 1.029 131 V CA -1.762 60.330 62.300 -0.348 0.000 0.870 131 V CB 1.729 33.253 31.823 -0.499 0.000 0.984 131 V HN 0.105 nan 8.190 nan 0.000 0.451 132 P HA 0.175 nan 4.420 nan 0.000 0.267 132 P C -0.725 176.496 177.300 -0.132 0.000 1.205 132 P CA 0.084 63.099 63.100 -0.142 0.000 0.765 132 P CB 0.687 32.329 31.700 -0.096 0.000 0.828 133 V N 4.799 124.618 119.914 -0.157 0.000 2.459 133 V HA 0.404 4.524 4.120 -0.000 0.000 0.295 133 V C -0.091 175.937 176.094 -0.111 0.000 1.029 133 V CA -0.632 61.592 62.300 -0.126 0.000 0.874 133 V CB 2.232 33.969 31.823 -0.142 0.000 0.985 133 V HN 0.294 nan 8.190 nan 0.000 0.438 134 V N 6.286 126.164 119.914 -0.060 0.000 2.409 134 V HA 0.541 4.661 4.120 -0.000 0.000 0.290 134 V C -0.218 175.877 176.094 0.003 0.000 1.017 134 V CA -0.412 61.862 62.300 -0.044 0.000 0.841 134 V CB 1.421 33.206 31.823 -0.065 0.000 1.003 134 V HN 0.932 nan 8.190 nan 0.000 0.426 135 K N 4.875 125.315 120.400 0.067 0.000 2.168 135 K HA 0.666 4.986 4.320 -0.000 0.000 0.239 135 K C -1.027 175.543 176.600 -0.050 0.000 0.999 135 K CA -0.795 55.570 56.287 0.130 0.000 0.900 135 K CB 1.404 34.109 32.500 0.341 0.000 1.111 135 K HN 0.917 nan 8.250 nan 0.000 0.452 136 H N -1.245 117.697 119.070 -0.214 0.000 3.046 136 H HA 0.614 5.170 4.556 0.000 0.000 0.361 136 H C -0.804 174.380 175.328 -0.240 0.000 1.235 136 H CA -0.406 55.339 56.048 -0.504 0.000 1.146 136 H CB 1.839 31.394 29.762 -0.345 0.000 1.859 136 H HN 0.772 nan 8.280 nan 0.000 0.548 137 G N 1.746 110.195 108.800 -0.585 0.000 2.333 137 G HA2 0.113 4.073 3.960 -0.000 0.000 0.288 137 G HA3 0.113 4.073 3.960 -0.000 0.000 0.288 137 G C -1.928 173.109 174.900 0.229 0.000 1.286 137 G CA -0.570 44.437 45.100 -0.155 0.000 0.865 137 G HN 0.787 nan 8.290 nan 0.000 0.506 138 N N -0.719 118.162 118.700 0.303 0.000 2.774 138 N HA 0.485 5.225 4.740 -0.000 0.000 0.264 138 N C -0.301 175.425 175.510 0.360 0.000 1.415 138 N CA -0.741 52.514 53.050 0.343 0.000 0.815 138 N CB 2.222 40.771 38.487 0.104 0.000 1.514 138 N HN 0.623 nan 8.380 nan 0.000 0.523 139 R N 0.079 120.805 120.500 0.377 0.000 2.738 139 R HA 0.292 4.632 4.340 -0.000 0.000 0.268 139 R C 0.905 177.288 176.300 0.138 0.000 1.062 139 R CA 0.178 56.414 56.100 0.226 0.000 1.158 139 R CB 0.315 30.746 30.300 0.217 0.000 1.046 139 R HN 0.672 nan 8.270 nan 0.000 0.493 140 A N 1.619 124.494 122.820 0.091 0.000 2.014 140 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 140 A C 1.018 178.637 177.584 0.059 0.000 1.163 140 A CA 1.326 53.403 52.037 0.067 0.000 0.652 140 A CB -0.118 18.909 19.000 0.045 0.000 0.808 140 A HN 0.750 nan 8.150 nan 0.000 0.449 147 G N 0.393 109.225 108.800 0.053 0.000 3.102 147 G HA2 0.157 4.117 3.960 -0.000 0.000 0.200 147 G HA3 0.157 4.117 3.960 -0.000 0.000 0.200 147 G C 1.668 176.534 174.900 -0.057 0.000 1.685 147 G CA 1.477 46.611 45.100 0.057 0.000 1.299 147 G HN 1.572 nan 8.290 nan 0.000 0.576 148 A N 0.621 123.430 122.820 -0.019 0.000 1.930 148 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 148 A C 1.863 179.332 177.584 -0.191 0.000 1.175 148 A CA 2.410 54.327 52.037 -0.200 0.000 0.627 148 A CB -0.520 18.536 19.000 0.093 0.000 0.815 148 A HN 0.504 nan 8.150 nan 0.000 0.443 149 D N -0.595 119.757 120.400 -0.080 0.000 2.144 149 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 149 D C 1.842 178.077 176.300 -0.108 0.000 0.978 149 D CA 1.741 55.694 54.000 -0.080 0.000 0.833 149 D CB -0.480 40.305 40.800 -0.026 0.000 0.961 149 D HN 0.366 nan 8.370 nan 0.000 0.470 150 T N 1.668 116.161 114.554 -0.101 0.000 2.708 150 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 150 T C 2.306 176.907 174.700 -0.166 0.000 1.037 150 T CA 0.501 62.540 62.100 -0.102 0.000 1.146 150 T CB -0.249 68.579 68.868 -0.066 0.000 0.865 150 T HN 0.097 nan 8.240 nan 0.000 0.435 151 L N 0.755 121.829 121.223 -0.249 0.000 1.989 151 L HA -0.160 4.179 4.340 -0.000 0.000 0.211 151 L C 2.756 179.409 176.870 -0.362 0.000 1.071 151 L CA 1.621 56.231 54.840 -0.382 0.000 0.749 151 L CB -0.630 41.078 42.059 -0.585 0.000 0.890 151 L HN 0.339 nan 8.230 nan 0.000 0.431 152 E N 0.073 120.090 120.200 -0.306 0.000 2.085 152 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 152 E C 2.281 178.772 176.600 -0.181 0.000 0.994 152 E CA 1.155 57.409 56.400 -0.243 0.000 0.801 152 E CB -0.222 29.358 29.700 -0.200 0.000 0.743 152 E HN 0.519 nan 8.360 nan 0.000 0.453 153 A N 1.104 123.836 122.820 -0.148 0.000 1.978 153 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 153 A C 2.097 179.614 177.584 -0.113 0.000 1.170 153 A CA 1.014 52.986 52.037 -0.109 0.000 0.636 153 A CB -0.512 18.439 19.000 -0.082 0.000 0.810 153 A HN 0.155 nan 8.150 nan 0.000 0.448 154 L N -1.612 119.522 121.223 -0.148 0.000 2.552 154 L HA 0.121 4.461 4.340 -0.000 0.000 0.227 154 L C 1.797 178.569 176.870 -0.163 0.000 1.146 154 L CA 0.628 55.381 54.840 -0.145 0.000 0.858 154 L CB -0.206 41.751 42.059 -0.170 0.000 0.969 154 L HN 0.604 nan 8.230 nan 0.000 0.451 155 G N -0.540 108.149 108.800 -0.186 0.000 2.176 155 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.232 155 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.232 155 G C 0.272 175.023 174.900 -0.249 0.000 0.986 155 G CA -0.047 44.948 45.100 -0.175 0.000 0.643 155 G HN 0.067 nan 8.290 nan 0.000 0.522 156 V N 1.308 120.986 119.914 -0.393 0.000 2.715 156 V HA 0.340 4.460 4.120 -0.000 0.000 0.299 156 V C 1.250 177.104 176.094 -0.400 0.000 1.054 156 V CA 0.086 62.032 62.300 -0.590 0.000 1.077 156 V CB 1.435 32.600 31.823 -1.097 0.000 0.972 156 V HN 0.434 nan 8.190 nan 0.000 0.484 157 R N 4.441 124.769 120.500 -0.286 0.000 2.235 157 R HA 0.307 4.647 4.340 -0.000 0.000 0.338 157 R C 0.952 177.194 176.300 -0.095 0.000 1.087 157 R CA -0.301 55.709 56.100 -0.150 0.000 0.948 157 R CB 0.299 30.568 30.300 -0.051 0.000 1.099 157 R HN 0.833 nan 8.270 nan 0.000 0.483 158 I N -0.511 119.949 120.570 -0.184 0.000 2.852 158 I HA 0.163 4.333 4.170 -0.000 0.000 0.264 158 I C 0.473 176.585 176.117 -0.008 0.000 1.179 158 I CA 0.226 61.460 61.300 -0.110 0.000 1.480 158 I CB 0.135 37.901 38.000 -0.390 0.000 1.111 158 I HN 0.315 nan 8.210 nan 0.000 0.441 159 D N 2.651 122.959 120.400 -0.153 0.000 2.558 159 D HA 0.404 5.044 4.640 -0.000 0.000 0.221 159 D C -0.616 175.767 176.300 0.139 0.000 1.143 159 D CA 0.088 54.070 54.000 -0.030 0.000 1.010 159 D CB -0.064 40.666 40.800 -0.116 0.000 1.068 159 D HN 0.288 nan 8.370 nan 0.000 0.511 160 L N 1.195 122.571 121.223 0.256 0.000 2.354 160 L HA 0.627 4.967 4.340 -0.000 0.000 0.269 160 L C 1.151 178.148 176.870 0.212 0.000 1.005 160 L CA -1.415 53.562 54.840 0.228 0.000 0.819 160 L CB 2.181 44.410 42.059 0.283 0.000 1.311 160 L HN 0.177 nan 8.230 nan 0.000 0.423 161 G N 1.055 109.898 108.800 0.071 0.000 2.606 161 G HA2 0.283 4.243 3.960 -0.000 0.000 0.252 161 G HA3 0.283 4.243 3.960 -0.000 0.000 0.252 161 G C -1.972 172.904 174.900 -0.040 0.000 1.206 161 G CA -0.927 44.109 45.100 -0.106 0.000 0.861 161 G HN 0.435 nan 8.290 nan 0.000 0.561 162 P HA -0.167 nan 4.420 nan 0.000 0.217 162 P C 1.212 178.574 177.300 0.103 0.000 1.158 162 P CA 1.469 64.577 63.100 0.012 0.000 0.887 162 P CB 0.227 31.836 31.700 -0.152 0.000 0.792 163 D N -1.027 119.396 120.400 0.039 0.000 2.123 163 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 163 D C 1.999 178.374 176.300 0.124 0.000 0.992 163 D CA 1.091 55.133 54.000 0.069 0.000 0.833 163 D CB -0.746 40.078 40.800 0.041 0.000 0.954 163 D HN 0.195 nan 8.370 nan 0.000 0.455 164 L N 0.159 121.473 121.223 0.151 0.000 2.156 164 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 164 L C 2.450 179.499 176.870 0.299 0.000 1.095 164 L CA 0.245 55.235 54.840 0.250 0.000 0.770 164 L CB -0.145 42.055 42.059 0.234 0.000 0.914 164 L HN -0.070 nan 8.230 nan 0.000 0.439 165 V N 0.336 120.406 119.914 0.261 0.000 2.295 165 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 165 V C 2.832 178.993 176.094 0.113 0.000 1.049 165 V CA 1.822 64.259 62.300 0.228 0.000 1.024 165 V CB -0.922 31.084 31.823 0.305 0.000 0.648 165 V HN 0.477 nan 8.190 nan 0.000 0.447 166 A N -0.136 122.755 122.820 0.119 0.000 1.917 166 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 166 A C 2.413 180.017 177.584 0.033 0.000 1.182 166 A CA 2.406 54.481 52.037 0.063 0.000 0.633 166 A CB -0.616 18.427 19.000 0.073 0.000 0.819 166 A HN 0.488 nan 8.150 nan 0.000 0.448 167 R N -0.893 119.660 120.500 0.088 0.000 2.092 167 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 167 R C 2.584 178.809 176.300 -0.124 0.000 1.119 167 R CA 1.443 57.604 56.100 0.102 0.000 0.970 167 R CB -0.306 30.171 30.300 0.294 0.000 0.864 167 R HN 0.535 nan 8.270 nan 0.000 0.440 168 S N 0.483 115.958 115.700 -0.375 0.000 2.359 168 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 168 S C 1.916 176.240 174.600 -0.461 0.000 1.035 168 S CA 1.063 58.720 58.200 -0.905 0.000 1.018 168 S CB -0.220 62.601 63.200 -0.632 0.000 0.876 168 S HN 0.344 nan 8.310 nan 0.000 0.448 169 L N 0.805 121.878 121.223 -0.250 0.000 2.012 169 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 169 L C 2.855 179.626 176.870 -0.166 0.000 1.073 169 L CA 1.620 56.344 54.840 -0.193 0.000 0.748 169 L CB -0.820 41.173 42.059 -0.111 0.000 0.891 169 L HN 0.468 nan 8.230 nan 0.000 0.431 170 A N -0.386 122.363 122.820 -0.118 0.000 1.877 170 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 170 A C 2.052 179.585 177.584 -0.086 0.000 1.186 170 A CA 1.851 53.843 52.037 -0.076 0.000 0.620 170 A CB -0.386 18.597 19.000 -0.028 0.000 0.822 170 A HN 0.540 nan 8.150 nan 0.000 0.443 171 E N -0.987 119.144 120.200 -0.116 0.000 2.190 171 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 171 E C 1.675 178.208 176.600 -0.113 0.000 0.978 171 E CA 0.966 57.324 56.400 -0.071 0.000 0.839 171 E CB 0.109 29.827 29.700 0.030 0.000 0.787 171 E HN 0.421 nan 8.360 nan 0.000 0.473 172 V N -0.697 119.075 119.914 -0.238 0.000 3.212 172 V HA 0.200 4.320 4.120 -0.000 0.000 0.244 172 V C 1.470 177.414 176.094 -0.249 0.000 1.151 172 V CA 0.868 63.028 62.300 -0.233 0.000 1.119 172 V CB 0.686 32.304 31.823 -0.342 0.000 0.838 172 V HN 0.444 nan 8.190 nan 0.000 0.470 173 G N 0.726 109.364 108.800 -0.270 0.000 2.159 173 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.227 173 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.227 173 G C -0.178 174.531 174.900 -0.318 0.000 0.986 173 G CA 0.308 45.262 45.100 -0.243 0.000 0.651 173 G HN 0.492 nan 8.290 nan 0.000 0.523 174 I N -0.520 119.777 120.570 -0.456 0.000 2.918 174 I HA 0.712 4.882 4.170 -0.000 0.000 0.301 174 I C -0.166 175.653 176.117 -0.497 0.000 1.312 174 I CA -0.339 60.635 61.300 -0.542 0.000 1.007 174 I CB 2.001 39.475 38.000 -0.876 0.000 1.281 174 I HN 0.426 nan 8.210 nan 0.000 0.440 175 G N 4.530 113.183 108.800 -0.246 0.000 2.660 175 G HA2 0.639 4.599 3.960 -0.000 0.000 0.294 175 G HA3 0.639 4.599 3.960 -0.000 0.000 0.294 175 G C -2.377 172.652 174.900 0.216 0.000 1.369 175 G CA -0.501 44.599 45.100 -0.000 0.000 0.912 175 G HN 0.490 nan 8.290 nan 0.000 0.479 176 F N 1.198 121.270 119.950 0.203 0.000 2.536 176 F HA 0.476 5.003 4.527 -0.000 0.000 0.322 176 F C -0.329 175.566 175.800 0.158 0.000 1.144 176 F CA -0.925 57.205 58.000 0.217 0.000 0.924 176 F CB 1.458 40.660 39.000 0.338 0.000 1.181 176 F HN 0.515 nan 8.300 nan 0.000 0.438 177 C N 7.110 126.042 119.300 -0.612 0.000 2.192 177 C HA 0.245 4.705 4.460 -0.000 0.000 0.337 177 C C -0.095 174.584 174.990 -0.519 0.000 1.103 177 C CA -0.691 57.880 59.018 -0.745 0.000 1.581 177 C CB -1.595 25.476 27.740 -1.115 0.000 2.070 177 C HN 0.616 nan 8.230 nan 0.000 0.485 178 F N 3.471 123.375 119.950 -0.077 0.000 2.502 178 F HA 0.375 4.902 4.527 -0.000 0.000 0.371 178 F C 1.286 177.251 175.800 0.275 0.000 1.083 178 F CA -0.412 57.692 58.000 0.174 0.000 1.174 178 F CB 0.433 39.657 39.000 0.374 0.000 1.096 178 F HN 0.751 nan 8.300 nan 0.000 0.545 179 A N 7.714 130.484 122.820 -0.084 0.000 1.896 179 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 179 A C -0.467 177.071 177.584 -0.076 0.000 1.206 179 A CA 2.050 54.110 52.037 0.039 0.000 0.647 179 A CB -2.062 16.951 19.000 0.021 0.000 0.828 179 A HN 0.674 nan 8.150 nan 0.000 0.455 180 P HA -0.170 nan 4.420 nan 0.000 0.217 180 P C 1.611 178.866 177.300 -0.075 0.000 1.148 180 P CA 1.696 64.624 63.100 -0.287 0.000 0.828 180 P CB -0.050 31.368 31.700 -0.469 0.000 0.783 181 R N -1.981 118.512 120.500 -0.013 0.000 2.193 181 R HA 0.059 4.399 4.340 -0.000 0.000 0.213 181 R C 1.485 177.716 176.300 -0.116 0.000 1.055 181 R CA 1.369 57.474 56.100 0.008 0.000 0.995 181 R CB -0.779 29.596 30.300 0.125 0.000 0.893 181 R HN 0.159 nan 8.270 nan 0.000 0.459 182 F N -2.677 117.278 119.950 0.008 0.000 2.592 182 F HA 0.256 4.783 4.527 -0.000 0.000 0.280 182 F C 0.386 176.157 175.800 -0.048 0.000 1.083 182 F CA 0.074 58.079 58.000 0.008 0.000 1.365 182 F CB 0.355 39.230 39.000 -0.207 0.000 1.100 182 F HN -0.002 nan 8.300 nan 0.000 0.633 183 H N 0.179 119.402 119.070 0.255 0.000 2.369 183 H HA 0.226 4.782 4.556 0.000 0.000 0.228 183 H C -1.904 173.456 175.328 0.055 0.000 1.548 183 H CA -1.519 54.600 56.048 0.119 0.000 1.275 183 H CB 0.122 29.933 29.762 0.082 0.000 1.549 183 H HN -0.019 nan 8.280 nan 0.000 0.542 184 P HA -0.139 nan 4.420 nan 0.000 0.220 184 P C 0.955 178.276 177.300 0.034 0.000 1.148 184 P CA 0.812 63.960 63.100 0.080 0.000 0.803 184 P CB 0.424 32.173 31.700 0.082 0.000 0.782 191 A N -0.352 122.481 122.820 0.021 0.000 2.291 191 A HA 0.413 4.733 4.320 -0.000 0.000 0.220 191 A C 1.382 178.978 177.584 0.020 0.000 1.262 191 A CA 1.061 53.110 52.037 0.020 0.000 0.867 191 A CB -0.404 18.602 19.000 0.010 0.000 0.888 191 A HN 0.931 nan 8.150 nan 0.000 0.487 192 V N -0.394 119.537 119.914 0.028 0.000 3.141 192 V HA -0.171 3.949 4.120 -0.000 0.000 0.265 192 V C 3.137 179.241 176.094 0.017 0.000 1.126 192 V CA 1.817 64.127 62.300 0.018 0.000 1.141 192 V CB -1.011 30.823 31.823 0.019 0.000 0.743 192 V HN 0.756 nan 8.190 nan 0.000 0.492 193 R N 0.462 120.981 120.500 0.031 0.000 2.115 193 R HA -0.144 4.196 4.340 -0.000 0.000 0.230 193 R C 2.404 178.714 176.300 0.015 0.000 1.111 193 R CA 1.943 58.058 56.100 0.025 0.000 0.976 193 R CB -1.341 28.984 30.300 0.042 0.000 0.870 193 R HN 0.596 nan 8.270 nan 0.000 0.445 194 R N 1.104 121.613 120.500 0.016 0.000 2.081 194 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 194 R C 2.169 178.471 176.300 0.004 0.000 1.131 194 R CA 1.628 57.734 56.100 0.011 0.000 0.960 194 R CB -1.012 29.295 30.300 0.011 0.000 0.856 194 R HN 0.629 nan 8.270 nan 0.000 0.436 195 E N 0.376 120.577 120.200 0.001 0.000 2.070 195 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 195 E C 1.984 178.578 176.600 -0.009 0.000 1.004 195 E CA 2.093 58.490 56.400 -0.005 0.000 0.805 195 E CB -0.085 29.609 29.700 -0.009 0.000 0.744 195 E HN 0.825 nan 8.360 nan 0.000 0.451 196 I N -5.218 115.346 120.570 -0.011 0.000 4.181 196 I HA 0.405 4.575 4.170 -0.000 0.000 0.331 196 I C 1.340 177.447 176.117 -0.015 0.000 1.312 196 I CA 0.586 61.875 61.300 -0.018 0.000 1.146 196 I CB 0.714 38.696 38.000 -0.030 0.000 1.074 196 I HN 0.042 nan 8.210 nan 0.000 0.402 197 G N 2.181 110.976 108.800 -0.008 0.000 2.168 197 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.257 197 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.257 197 G C 0.200 175.097 174.900 -0.004 0.000 0.997 197 G CA 0.476 45.575 45.100 -0.003 0.000 0.708 197 G HN 1.109 nan 8.290 nan 0.000 0.520 198 V N -3.263 116.643 119.914 -0.012 0.000 2.925 198 V HA 0.935 5.055 4.120 -0.000 0.000 0.311 198 V C -2.131 173.951 176.094 -0.021 0.000 1.104 198 V CA -2.141 60.150 62.300 -0.015 0.000 0.954 198 V CB 2.256 34.063 31.823 -0.027 0.000 1.022 198 V HN 0.154 nan 8.190 nan 0.000 0.427 199 P HA 0.453 nan 4.420 nan 0.000 0.274 199 P C -0.261 177.001 177.300 -0.064 0.000 1.237 199 P CA 0.241 63.333 63.100 -0.013 0.000 0.793 199 P CB 1.205 32.917 31.700 0.019 0.000 0.977 200 T N -3.326 111.175 114.554 -0.089 0.000 2.858 200 T HA 0.180 4.530 4.350 -0.000 0.000 0.285 200 T C 0.966 175.567 174.700 -0.166 0.000 1.052 200 T CA -0.589 61.396 62.100 -0.192 0.000 1.009 200 T CB 0.855 69.519 68.868 -0.339 0.000 1.241 200 T HN 0.072 nan 8.240 nan 0.000 0.542 201 V N 0.397 120.164 119.914 -0.245 0.000 2.439 201 V HA -0.120 4.000 4.120 -0.000 0.000 0.253 201 V C 2.064 178.183 176.094 0.041 0.000 1.074 201 V CA 2.020 64.233 62.300 -0.146 0.000 1.076 201 V CB -1.312 30.399 31.823 -0.186 0.000 0.664 201 V HN 0.791 nan 8.190 nan 0.000 0.461 202 F N 0.956 120.873 119.950 -0.054 0.000 2.161 202 F HA -0.105 4.422 4.527 0.000 0.000 0.300 202 F C 2.260 178.045 175.800 -0.025 0.000 1.089 202 F CA 1.304 59.285 58.000 -0.031 0.000 1.282 202 F CB -1.296 37.694 39.000 -0.017 0.000 1.010 202 F HN 0.359 nan 8.300 nan 0.000 0.485 203 N N 0.327 119.125 118.700 0.163 0.000 2.571 203 N HA -0.034 4.706 4.740 -0.000 0.000 0.189 203 N C 1.443 177.007 175.510 0.090 0.000 1.154 203 N CA 0.541 53.651 53.050 0.100 0.000 0.907 203 N CB 0.048 38.579 38.487 0.074 0.000 0.977 203 N HN 0.331 nan 8.380 nan 0.000 0.449 204 L N 0.044 121.322 121.223 0.092 0.000 2.693 204 L HA 0.251 4.591 4.340 -0.000 0.000 0.235 204 L C 1.389 178.311 176.870 0.086 0.000 1.127 204 L CA 0.081 54.981 54.840 0.100 0.000 0.914 204 L CB 0.249 42.368 42.059 0.099 0.000 1.193 204 L HN -0.012 nan 8.230 nan 0.000 0.502 205 L N -0.566 120.703 121.223 0.077 0.000 2.607 205 L HA 0.207 4.547 4.340 -0.000 0.000 0.228 205 L C 2.359 179.274 176.870 0.073 0.000 1.123 205 L CA 0.214 55.087 54.840 0.054 0.000 0.890 205 L CB -0.385 41.698 42.059 0.040 0.000 1.103 205 L HN 0.289 nan 8.230 nan 0.000 0.468 206 G N 2.234 111.095 108.800 0.101 0.000 2.624 206 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.221 206 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.221 206 G C -0.667 174.411 174.900 0.296 0.000 1.169 206 G CA 1.001 46.215 45.100 0.191 0.000 0.771 206 G HN 0.306 nan 8.290 nan 0.000 0.598 207 P HA -0.025 nan 4.420 nan 0.000 0.218 207 P C 1.655 179.104 177.300 0.248 0.000 1.146 207 P CA 0.823 64.092 63.100 0.281 0.000 0.813 207 P CB -0.088 31.803 31.700 0.319 0.000 0.778 208 L N -1.914 119.346 121.223 0.062 0.000 2.607 208 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 208 L C 1.090 177.938 176.870 -0.037 0.000 1.123 208 L CA 0.838 55.618 54.840 -0.100 0.000 0.890 208 L CB -0.511 41.412 42.059 -0.227 0.000 1.103 208 L HN 0.064 nan 8.230 nan 0.000 0.468 209 T N -5.025 109.540 114.554 0.019 0.000 3.288 209 T HA 0.123 4.473 4.350 -0.000 0.000 0.293 209 T C 0.488 175.048 174.700 -0.235 0.000 1.008 209 T CA -0.504 61.586 62.100 -0.015 0.000 0.929 209 T CB -0.300 68.566 68.868 -0.003 0.000 1.152 209 T HN -0.027 nan 8.240 nan 0.000 0.517 210 N N 3.109 121.617 118.700 -0.320 0.000 2.438 210 N HA 0.148 4.888 4.740 -0.000 0.000 0.267 210 N C -1.812 173.484 175.510 -0.358 0.000 1.222 210 N CA -1.664 51.033 53.050 -0.588 0.000 0.930 210 N CB 1.697 40.081 38.487 -0.172 0.000 1.083 210 N HN 0.070 nan 8.380 nan 0.000 0.476 211 P HA -0.039 nan 4.420 nan 0.000 0.220 211 P C 0.535 177.744 177.300 -0.152 0.000 1.148 211 P CA 0.930 63.877 63.100 -0.255 0.000 0.803 211 P CB 0.202 31.704 31.700 -0.329 0.000 0.782 212 A N -0.301 122.403 122.820 -0.193 0.000 2.206 212 A HA -0.038 4.282 4.320 -0.000 0.000 0.211 212 A C 0.826 178.375 177.584 -0.058 0.000 1.158 212 A CA 0.086 52.062 52.037 -0.102 0.000 0.761 212 A CB -0.964 17.968 19.000 -0.115 0.000 0.801 212 A HN 0.055 nan 8.150 nan 0.000 0.473 213 R N -1.294 119.170 120.500 -0.060 0.000 3.322 213 R HA -0.126 4.214 4.340 -0.000 0.000 0.253 213 R C -2.336 173.969 176.300 0.008 0.000 0.987 213 R CA 0.475 56.567 56.100 -0.013 0.000 0.666 213 R CB -2.030 28.266 30.300 -0.007 0.000 1.072 213 R HN 0.474 nan 8.270 nan 0.000 0.447 214 P HA -0.039 nan 4.420 nan 0.000 0.268 214 P C -0.025 177.293 177.300 0.029 0.000 1.205 214 P CA 0.181 63.286 63.100 0.010 0.000 0.771 214 P CB 0.564 32.264 31.700 0.001 0.000 0.858 215 R N 0.955 121.465 120.500 0.016 0.000 2.310 215 R HA 0.377 4.717 4.340 -0.000 0.000 0.202 215 R C 0.766 177.057 176.300 -0.015 0.000 0.933 215 R CA 0.153 56.264 56.100 0.018 0.000 1.054 215 R CB 0.289 30.593 30.300 0.007 0.000 0.985 215 R HN 0.532 nan 8.270 nan 0.000 0.489 216 A N 0.027 122.826 122.820 -0.035 0.000 2.532 216 A HA 0.860 5.180 4.320 -0.000 0.000 0.290 216 A C -0.653 176.870 177.584 -0.101 0.000 1.143 216 A CA -0.450 51.543 52.037 -0.074 0.000 0.728 216 A CB 2.036 21.013 19.000 -0.038 0.000 1.317 216 A HN 0.185 nan 8.150 nan 0.000 0.414 217 G N -0.929 107.788 108.800 -0.138 0.000 2.355 217 G HA2 0.527 4.487 3.960 -0.000 0.000 0.296 217 G HA3 0.527 4.487 3.960 -0.000 0.000 0.296 217 G C -2.102 172.718 174.900 -0.134 0.000 1.507 217 G CA -0.516 44.505 45.100 -0.133 0.000 0.823 217 G HN 1.319 nan 8.290 nan 0.000 0.569 218 L N 1.604 122.776 121.223 -0.086 0.000 2.298 218 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 218 L C -0.921 175.938 176.870 -0.018 0.000 1.013 218 L CA -0.821 53.987 54.840 -0.053 0.000 0.824 218 L CB 0.876 42.907 42.059 -0.047 0.000 1.221 218 L HN 0.423 nan 8.230 nan 0.000 0.418 219 I N 5.248 125.820 120.570 0.004 0.000 2.411 219 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 219 I C 0.742 176.923 176.117 0.107 0.000 1.012 219 I CA -0.401 60.935 61.300 0.060 0.000 1.119 219 I CB 1.253 39.301 38.000 0.080 0.000 1.261 219 I HN 0.604 nan 8.210 nan 0.000 0.448 220 G N 4.551 113.412 108.800 0.101 0.000 2.372 220 G HA2 0.412 4.372 3.960 -0.000 0.000 0.283 220 G HA3 0.412 4.372 3.960 -0.000 0.000 0.283 220 G C -0.765 174.211 174.900 0.127 0.000 1.177 220 G CA -0.212 44.957 45.100 0.115 0.000 0.842 220 G HN 0.668 nan 8.290 nan 0.000 0.503 221 C N 2.360 121.757 119.300 0.162 0.000 2.481 221 C HA 0.658 5.118 4.460 -0.000 0.000 0.324 221 C C 1.311 176.386 174.990 0.142 0.000 1.170 221 C CA 0.072 59.165 59.018 0.125 0.000 1.361 221 C CB 0.898 28.694 27.740 0.095 0.000 1.977 221 C HN 0.989 nan 8.230 nan 0.000 0.459 222 A N 3.768 126.545 122.820 -0.073 0.000 2.119 222 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 222 A C 0.169 177.462 177.584 -0.485 0.000 1.152 222 A CA 0.757 52.639 52.037 -0.260 0.000 0.708 222 A CB -0.190 18.459 19.000 -0.584 0.000 0.805 222 A HN 0.733 nan 8.150 nan 0.000 0.460 223 F N -1.349 118.588 119.950 -0.022 0.000 2.402 223 F HA 0.578 5.105 4.527 -0.000 0.000 0.355 223 F C 1.253 176.894 175.800 -0.266 0.000 1.123 223 F CA -0.508 57.417 58.000 -0.125 0.000 1.021 223 F CB 1.272 40.230 39.000 -0.070 0.000 1.160 223 F HN 0.062 nan 8.300 nan 0.000 0.451 224 A N 1.948 124.623 122.820 -0.242 0.000 1.940 224 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 224 A C 2.026 179.536 177.584 -0.123 0.000 1.176 224 A CA 2.195 54.118 52.037 -0.190 0.000 0.631 224 A CB -0.618 18.363 19.000 -0.033 0.000 0.814 224 A HN 0.792 nan 8.150 nan 0.000 0.446 225 D N 0.018 120.392 120.400 -0.044 0.000 2.117 225 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 225 D C 1.715 177.937 176.300 -0.130 0.000 0.982 225 D CA 1.364 55.326 54.000 -0.063 0.000 0.828 225 D CB -0.849 39.931 40.800 -0.032 0.000 0.967 225 D HN 0.355 nan 8.370 nan 0.000 0.464 226 L N 0.551 121.719 121.223 -0.092 0.000 2.156 226 L HA 0.200 4.540 4.340 -0.000 0.000 0.208 226 L C 2.318 179.074 176.870 -0.190 0.000 1.095 226 L CA 1.469 56.248 54.840 -0.101 0.000 0.770 226 L CB -0.904 41.143 42.059 -0.019 0.000 0.914 226 L HN 0.093 nan 8.230 nan 0.000 0.439 227 A N -0.500 122.144 122.820 -0.294 0.000 1.883 227 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 227 A C 2.327 179.381 177.584 -0.883 0.000 1.186 227 A CA 2.001 53.722 52.037 -0.527 0.000 0.624 227 A CB -0.766 17.825 19.000 -0.682 0.000 0.822 227 A HN 0.605 nan 8.150 nan 0.000 0.444 228 E N -0.477 119.074 120.200 -1.082 0.000 2.077 228 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 228 E C 1.856 178.215 176.600 -0.403 0.000 0.989 228 E CA 1.320 57.149 56.400 -0.951 0.000 0.800 228 E CB -0.153 29.273 29.700 -0.457 0.000 0.746 228 E HN 0.290 nan 8.360 nan 0.000 0.452 229 V N 0.955 120.707 119.914 -0.269 0.000 2.295 229 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 229 V C 2.474 178.485 176.094 -0.139 0.000 1.049 229 V CA 2.138 64.346 62.300 -0.154 0.000 1.024 229 V CB -0.445 31.306 31.823 -0.120 0.000 0.648 229 V HN 0.430 nan 8.190 nan 0.000 0.447 230 M N -0.252 119.258 119.600 -0.149 0.000 2.080 230 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 230 M C 2.181 178.496 176.300 0.025 0.000 1.068 230 M CA 2.205 57.443 55.300 -0.104 0.000 1.109 230 M CB -0.368 32.223 32.600 -0.016 0.000 1.342 230 M HN 0.352 nan 8.290 nan 0.000 0.405 231 A N -0.079 122.757 122.820 0.028 0.000 1.917 231 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 231 A C 2.261 179.918 177.584 0.122 0.000 1.182 231 A CA 2.015 54.137 52.037 0.142 0.000 0.633 231 A CB -1.785 17.230 19.000 0.025 0.000 0.819 231 A HN 0.640 nan 8.150 nan 0.000 0.448 232 G N -0.866 107.945 108.800 0.018 0.000 2.422 232 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.218 232 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.218 232 G C 1.483 176.386 174.900 0.006 0.000 1.146 232 G CA 1.191 46.303 45.100 0.021 0.000 0.769 232 G HN 0.339 nan 8.290 nan 0.000 0.547 233 V N 0.393 120.271 119.914 -0.059 0.000 2.307 233 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 233 V C 2.473 178.512 176.094 -0.091 0.000 1.045 233 V CA 1.438 63.660 62.300 -0.130 0.000 1.024 233 V CB -0.687 30.981 31.823 -0.258 0.000 0.651 233 V HN 0.279 nan 8.190 nan 0.000 0.449 234 F N 1.033 120.986 119.950 0.004 0.000 2.161 234 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 234 F C 2.435 178.246 175.800 0.019 0.000 1.089 234 F CA 1.326 59.335 58.000 0.014 0.000 1.282 234 F CB -1.144 37.870 39.000 0.024 0.000 1.010 234 F HN 0.098 nan 8.300 nan 0.000 0.485 235 A N -0.108 122.838 122.820 0.210 0.000 1.902 235 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 235 A C 2.432 180.067 177.584 0.085 0.000 1.181 235 A CA 1.721 53.834 52.037 0.128 0.000 0.623 235 A CB -1.299 17.762 19.000 0.102 0.000 0.818 235 A HN 0.295 nan 8.150 nan 0.000 0.443 236 A N -0.253 122.603 122.820 0.059 0.000 2.019 236 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 236 A C 2.118 179.723 177.584 0.036 0.000 1.164 236 A CA 1.371 53.427 52.037 0.032 0.000 0.644 236 A CB -0.394 18.611 19.000 0.008 0.000 0.805 236 A HN 0.557 nan 8.150 nan 0.000 0.449 237 R N -1.221 119.313 120.500 0.056 0.000 2.313 237 R HA 0.121 4.461 4.340 -0.000 0.000 0.199 237 R C -0.095 176.248 176.300 0.072 0.000 0.958 237 R CA 0.088 56.225 56.100 0.062 0.000 1.047 237 R CB 0.018 30.371 30.300 0.089 0.000 0.955 237 R HN 0.404 nan 8.270 nan 0.000 0.481 238 R N 0.602 121.146 120.500 0.073 0.000 3.422 238 R HA -0.127 4.213 4.340 -0.000 0.000 0.267 238 R C -0.699 175.640 176.300 0.064 0.000 1.074 238 R CA 0.531 56.667 56.100 0.061 0.000 0.718 238 R CB -2.297 28.026 30.300 0.037 0.000 1.157 238 R HN 0.114 nan 8.270 nan 0.000 0.440 239 S N 0.089 115.850 115.700 0.102 0.000 2.652 239 S HA 0.290 4.760 4.470 -0.000 0.000 0.270 239 S C 0.487 175.099 174.600 0.020 0.000 1.243 239 S CA -0.556 57.686 58.200 0.070 0.000 0.999 239 S CB 1.977 65.252 63.200 0.124 0.000 0.973 239 S HN 0.293 nan 8.310 nan 0.000 0.544 240 S N 1.828 117.512 115.700 -0.028 0.000 2.488 240 S HA 0.546 5.016 4.470 -0.000 0.000 0.310 240 S C -0.593 173.953 174.600 -0.091 0.000 1.093 240 S CA -0.697 57.481 58.200 -0.037 0.000 1.129 240 S CB -0.835 62.342 63.200 -0.039 0.000 0.989 240 S HN 0.630 nan 8.310 nan 0.000 0.479 241 V N 3.574 123.423 119.914 -0.107 0.000 2.876 241 V HA 0.690 4.810 4.120 -0.000 0.000 0.312 241 V C -1.060 175.005 176.094 -0.050 0.000 1.085 241 V CA -1.113 61.070 62.300 -0.195 0.000 0.945 241 V CB 1.798 33.283 31.823 -0.563 0.000 1.017 241 V HN 0.637 nan 8.190 nan 0.000 0.428 242 L N 3.875 125.086 121.223 -0.020 0.000 2.280 242 L HA 0.606 4.946 4.340 -0.000 0.000 0.287 242 L C -0.508 176.424 176.870 0.103 0.000 1.023 242 L CA -0.789 54.112 54.840 0.103 0.000 0.819 242 L CB 1.714 43.863 42.059 0.151 0.000 1.212 242 L HN 0.556 nan 8.230 nan 0.000 0.420 243 V N 4.430 124.470 119.914 0.209 0.000 2.432 243 V HA 0.360 4.480 4.120 -0.000 0.000 0.275 243 V C 0.214 176.558 176.094 0.418 0.000 1.043 243 V CA -0.602 61.860 62.300 0.269 0.000 0.925 243 V CB 1.614 33.592 31.823 0.258 0.000 0.985 243 V HN 0.545 nan 8.190 nan 0.000 0.466 244 V N 2.248 122.356 119.914 0.323 0.000 2.680 244 V HA 0.815 4.935 4.120 -0.000 0.000 0.309 244 V C -0.913 175.404 176.094 0.372 0.000 1.052 244 V CA -0.652 61.835 62.300 0.312 0.000 0.908 244 V CB 1.808 33.725 31.823 0.157 0.000 1.001 244 V HN 0.982 nan 8.190 nan 0.000 0.431 245 H N 2.397 121.616 119.070 0.248 0.000 3.096 245 H HA 0.674 5.230 4.556 -0.000 0.000 0.335 245 H C 0.140 175.541 175.328 0.121 0.000 0.990 245 H CA 0.444 56.615 56.048 0.204 0.000 1.393 245 H CB 1.386 31.358 29.762 0.349 0.000 1.742 245 H HN 1.250 nan 8.280 nan 0.000 0.501 246 G N 2.560 111.164 108.800 -0.325 0.000 2.432 246 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.239 246 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.239 246 G C 0.273 174.978 174.900 -0.325 0.000 1.291 246 G CA -0.316 44.641 45.100 -0.237 0.000 0.863 246 G HN 0.828 nan 8.290 nan 0.000 0.560 247 D N 0.827 121.158 120.400 -0.115 0.000 2.378 247 D HA -0.063 4.577 4.640 -0.000 0.000 0.227 247 D C 1.416 177.687 176.300 -0.048 0.000 1.012 247 D CA 0.758 54.730 54.000 -0.046 0.000 0.905 247 D CB 0.385 41.188 40.800 0.005 0.000 0.895 247 D HN 0.624 nan 8.370 nan 0.000 0.532 248 D N -1.195 119.152 120.400 -0.089 0.000 2.340 248 D HA 0.128 4.768 4.640 -0.000 0.000 0.217 248 D C 1.566 177.813 176.300 -0.088 0.000 1.081 248 D CA 0.417 54.379 54.000 -0.064 0.000 0.842 248 D CB 0.086 40.856 40.800 -0.050 0.000 0.934 248 D HN 0.137 nan 8.370 nan 0.000 0.511 249 G N 0.201 108.885 108.800 -0.193 0.000 2.194 249 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 249 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 249 G C 0.120 174.896 174.900 -0.206 0.000 0.987 249 G CA 0.045 45.048 45.100 -0.162 0.000 0.635 249 G HN 0.406 nan 8.290 nan 0.000 0.520 250 L N 1.992 123.086 121.223 -0.214 0.000 2.514 250 L HA 0.189 4.529 4.340 -0.000 0.000 0.280 250 L C 0.956 177.758 176.870 -0.113 0.000 1.223 250 L CA 0.991 55.751 54.840 -0.133 0.000 0.864 250 L CB 0.478 42.477 42.059 -0.099 0.000 1.118 250 L HN 0.445 nan 8.230 nan 0.000 0.494 251 D N 2.726 123.105 120.400 -0.035 0.000 2.690 251 D HA 0.121 4.761 4.640 -0.000 0.000 0.236 251 D C -0.079 176.242 176.300 0.035 0.000 1.218 251 D CA -0.083 53.935 54.000 0.030 0.000 0.829 251 D CB 0.299 41.109 40.800 0.017 0.000 1.009 251 D HN 0.344 nan 8.370 nan 0.000 0.482 252 E N -0.337 119.869 120.200 0.010 0.000 2.458 252 E HA 0.323 4.673 4.350 -0.000 0.000 0.278 252 E C -0.163 176.436 176.600 -0.001 0.000 1.004 252 E CA -1.002 55.405 56.400 0.013 0.000 0.823 252 E CB 1.430 31.128 29.700 -0.004 0.000 1.396 252 E HN 0.046 nan 8.360 nan 0.000 0.463 253 L N 1.311 122.529 121.223 -0.008 0.000 2.513 253 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 253 L C 0.988 177.838 176.870 -0.034 0.000 1.187 253 L CA 0.534 55.357 54.840 -0.028 0.000 0.895 253 L CB 0.155 42.163 42.059 -0.085 0.000 1.147 253 L HN 0.376 nan 8.230 nan 0.000 0.483 254 T N 0.433 114.976 114.554 -0.019 0.000 2.902 254 T HA 0.312 4.662 4.350 -0.000 0.000 0.280 254 T C 0.961 175.645 174.700 -0.027 0.000 0.992 254 T CA -0.168 61.914 62.100 -0.031 0.000 1.015 254 T CB 1.149 69.995 68.868 -0.038 0.000 1.044 254 T HN 0.770 nan 8.240 nan 0.000 0.520 255 T N -1.484 113.047 114.554 -0.037 0.000 3.044 255 T HA 0.102 4.452 4.350 -0.000 0.000 0.260 255 T C 1.707 176.409 174.700 0.004 0.000 1.019 255 T CA 0.471 62.555 62.100 -0.026 0.000 0.921 255 T CB -0.292 68.553 68.868 -0.037 0.000 1.053 255 T HN 0.685 nan 8.240 nan 0.000 0.533 256 T N -1.287 113.265 114.554 -0.004 0.000 3.067 256 T HA 0.286 4.636 4.350 -0.000 0.000 0.257 256 T C 0.767 175.467 174.700 -0.001 0.000 1.105 256 T CA 0.813 62.913 62.100 -0.000 0.000 1.104 256 T CB 0.071 68.935 68.868 -0.007 0.000 0.925 256 T HN 0.441 nan 8.240 nan 0.000 0.498 257 T N 0.542 115.095 114.554 -0.002 0.000 2.669 257 T HA 0.416 4.766 4.350 -0.000 0.000 0.302 257 T C -1.071 173.631 174.700 0.002 0.000 1.659 257 T CA -0.013 62.084 62.100 -0.005 0.000 0.979 257 T CB 0.789 69.652 68.868 -0.008 0.000 1.895 257 T HN 0.449 nan 8.240 nan 0.000 0.466 258 T N 0.605 115.158 114.554 -0.001 0.000 2.788 258 T HA 0.715 5.065 4.350 -0.000 0.000 0.287 258 T C -0.048 174.678 174.700 0.044 0.000 1.007 258 T CA -0.463 61.648 62.100 0.018 0.000 1.005 258 T CB 0.857 69.724 68.868 -0.001 0.000 1.012 258 T HN 0.548 nan 8.240 nan 0.000 0.530 259 S N -0.225 115.537 115.700 0.104 0.000 2.599 259 S HA 0.615 5.085 4.470 -0.000 0.000 0.294 259 S C -0.374 174.269 174.600 0.072 0.000 1.094 259 S CA -0.908 57.342 58.200 0.083 0.000 0.931 259 S CB 1.887 65.154 63.200 0.110 0.000 1.093 259 S HN 0.852 nan 8.310 nan 0.000 0.488 260 T N 2.227 116.796 114.554 0.026 0.000 2.799 260 T HA 0.570 4.920 4.350 -0.000 0.000 0.286 260 T C -0.359 174.264 174.700 -0.127 0.000 0.973 260 T CA -0.218 61.801 62.100 -0.134 0.000 1.035 260 T CB 0.079 68.791 68.868 -0.261 0.000 0.932 260 T HN 0.376 nan 8.240 nan 0.000 0.469 261 I N 2.316 122.765 120.570 -0.202 0.000 2.436 261 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 261 I C -0.496 175.505 176.117 -0.192 0.000 1.010 261 I CA -0.874 60.415 61.300 -0.019 0.000 1.098 261 I CB 1.837 39.932 38.000 0.157 0.000 1.266 261 I HN 0.485 nan 8.210 nan 0.000 0.434 262 W N 6.499 127.856 121.300 0.094 0.000 2.357 262 W HA 0.348 5.008 4.660 0.000 0.000 0.317 262 W C 0.393 176.949 176.519 0.061 0.000 1.101 262 W CA -0.598 56.787 57.345 0.068 0.000 1.380 262 W CB 0.872 30.380 29.460 0.079 0.000 1.266 262 W HN 0.393 nan 8.180 nan 0.000 0.419 263 R N 2.693 123.286 120.500 0.156 0.000 2.216 263 R HA 0.401 4.741 4.340 -0.000 0.000 0.332 263 R C -1.018 175.347 176.300 0.109 0.000 1.056 263 R CA -0.151 56.012 56.100 0.105 0.000 0.901 263 R CB 0.734 30.994 30.300 -0.067 0.000 1.039 263 R HN 0.197 nan 8.270 nan 0.000 0.456 264 V N 4.009 123.991 119.914 0.114 0.000 2.370 264 V HA 0.759 4.879 4.120 -0.000 0.000 0.283 264 V C -0.289 175.846 176.094 0.067 0.000 1.023 264 V CA -0.452 61.908 62.300 0.100 0.000 0.857 264 V CB 1.164 33.055 31.823 0.114 0.000 0.985 264 V HN 0.969 nan 8.190 nan 0.000 0.443 265 A N 3.887 126.743 122.820 0.060 0.000 2.594 265 A HA 0.808 5.128 4.320 -0.000 0.000 0.296 265 A C 0.307 177.915 177.584 0.040 0.000 1.061 265 A CA -0.173 51.891 52.037 0.045 0.000 0.689 265 A CB 1.356 20.384 19.000 0.047 0.000 1.280 265 A HN 2.301 nan 8.150 nan 0.000 0.406 266 A N 0.355 123.195 122.820 0.032 0.000 2.704 266 A HA 0.295 4.615 4.320 -0.000 0.000 0.299 266 A C 2.106 179.710 177.584 0.033 0.000 1.507 266 A CA 2.136 54.190 52.037 0.028 0.000 0.776 266 A CB -1.765 17.249 19.000 0.024 0.000 1.027 266 A HN 3.168 nan 8.150 nan 0.000 0.475 267 G N -2.322 106.504 108.800 0.043 0.000 2.155 267 G HA2 0.067 4.027 3.960 -0.000 0.000 0.257 267 G HA3 0.067 4.027 3.960 -0.000 0.000 0.257 267 G C 0.528 175.458 174.900 0.051 0.000 0.983 267 G CA 1.469 46.598 45.100 0.047 0.000 0.676 267 G HN 2.764 nan 8.290 nan 0.000 0.528 268 S N -1.873 113.860 115.700 0.055 0.000 2.627 268 S HA 0.823 5.293 4.470 -0.000 0.000 0.283 268 S C -0.701 173.945 174.600 0.076 0.000 1.127 268 S CA -0.464 57.771 58.200 0.058 0.000 0.863 268 S CB 3.114 66.339 63.200 0.042 0.000 1.121 268 S HN 1.039 nan 8.310 nan 0.000 0.479 269 V N 1.823 121.791 119.914 0.090 0.000 2.459 269 V HA 0.607 4.727 4.120 -0.000 0.000 0.295 269 V C -0.977 175.176 176.094 0.098 0.000 1.029 269 V CA -0.480 61.898 62.300 0.130 0.000 0.874 269 V CB 1.455 33.393 31.823 0.192 0.000 0.985 269 V HN 1.015 nan 8.190 nan 0.000 0.438 270 D N 3.794 124.233 120.400 0.065 0.000 2.492 270 D HA 0.305 4.945 4.640 -0.000 0.000 0.248 270 D C -0.536 175.730 176.300 -0.056 0.000 1.101 270 D CA -0.577 53.416 54.000 -0.011 0.000 0.840 270 D CB 1.803 42.556 40.800 -0.078 0.000 1.209 270 D HN 0.540 nan 8.370 nan 0.000 0.524 271 K N 4.044 124.378 120.400 -0.109 0.000 2.211 271 K HA 0.559 4.879 4.320 -0.000 0.000 0.275 271 K C -0.714 175.723 176.600 -0.271 0.000 1.024 271 K CA -0.603 55.490 56.287 -0.322 0.000 0.887 271 K CB 0.545 32.816 32.500 -0.380 0.000 1.084 271 K HN 0.531 nan 8.250 nan 0.000 0.463 272 L N -0.076 120.967 121.223 -0.301 0.000 2.397 272 L HA 0.633 4.973 4.340 -0.000 0.000 0.251 272 L C -0.871 175.918 176.870 -0.134 0.000 1.064 272 L CA -0.909 53.817 54.840 -0.190 0.000 0.859 272 L CB 1.946 43.891 42.059 -0.189 0.000 1.468 272 L HN 0.329 nan 8.230 nan 0.000 0.411 273 T N 0.806 115.331 114.554 -0.048 0.000 2.859 273 T HA 0.628 4.978 4.350 -0.000 0.000 0.281 273 T C -1.357 173.421 174.700 0.130 0.000 1.005 273 T CA 0.073 62.180 62.100 0.013 0.000 1.025 273 T CB 1.076 69.931 68.868 -0.021 0.000 0.977 273 T HN 0.489 nan 8.240 nan 0.000 0.458 274 F N 2.751 122.697 119.950 -0.007 0.000 2.493 274 F HA 0.479 5.006 4.527 -0.000 0.000 0.329 274 F C -0.808 174.969 175.800 -0.038 0.000 1.126 274 F CA -1.020 56.982 58.000 0.003 0.000 0.937 274 F CB 1.341 40.343 39.000 0.003 0.000 1.146 274 F HN 0.359 nan 8.300 nan 0.000 0.442 275 D N 8.254 128.292 120.400 -0.604 0.000 2.453 275 D HA 0.346 4.986 4.640 -0.000 0.000 0.238 275 D C -1.917 174.003 176.300 -0.633 0.000 1.088 275 D CA -2.413 51.324 54.000 -0.437 0.000 0.854 275 D CB 2.193 42.826 40.800 -0.278 0.000 1.076 275 D HN 0.258 nan 8.370 nan 0.000 0.533 276 P HA -0.048 nan 4.420 nan 0.000 0.226 276 P C 1.014 178.383 177.300 0.115 0.000 1.153 276 P CA 0.353 63.433 63.100 -0.034 0.000 0.777 276 P CB 0.286 32.047 31.700 0.101 0.000 0.794 277 A N 0.741 123.541 122.820 -0.034 0.000 2.019 277 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 277 A C 2.488 179.983 177.584 -0.147 0.000 1.164 277 A CA 1.596 53.613 52.037 -0.034 0.000 0.644 277 A CB -1.834 17.129 19.000 -0.062 0.000 0.805 277 A HN 0.295 nan 8.150 nan 0.000 0.449 278 G N -1.821 106.783 108.800 -0.327 0.000 2.527 278 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.219 278 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.219 278 G C 0.744 175.153 174.900 -0.818 0.000 1.117 278 G CA 0.869 45.609 45.100 -0.600 0.000 0.759 278 G HN 0.488 nan 8.290 nan 0.000 0.556 279 F N -0.557 119.348 119.950 -0.074 0.000 2.698 279 F HA 0.419 4.946 4.527 -0.000 0.000 0.304 279 F C 1.622 177.296 175.800 -0.211 0.000 1.108 279 F CA -0.292 57.678 58.000 -0.051 0.000 1.263 279 F CB 0.779 39.852 39.000 0.122 0.000 1.013 279 F HN 0.148 nan 8.300 nan 0.000 0.532 280 G N -0.049 108.699 108.800 -0.088 0.000 2.157 280 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.239 280 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.239 280 G C -0.013 174.765 174.900 -0.203 0.000 0.982 280 G CA -0.621 44.378 45.100 -0.168 0.000 0.650 280 G HN 0.150 nan 8.290 nan 0.000 0.527 281 F N 1.987 121.960 119.950 0.038 0.000 2.445 281 F HA 0.631 5.158 4.527 0.000 0.000 0.359 281 F C 1.129 176.935 175.800 0.011 0.000 1.101 281 F CA -0.130 57.893 58.000 0.039 0.000 1.177 281 F CB 1.088 40.129 39.000 0.067 0.000 1.110 281 F HN 0.352 nan 8.300 nan 0.000 0.522 282 A N 5.030 127.955 122.820 0.176 0.000 2.498 282 A HA 0.229 4.549 4.320 -0.000 0.000 0.239 282 A C 0.576 178.223 177.584 0.106 0.000 1.068 282 A CA -0.649 51.450 52.037 0.103 0.000 0.766 282 A CB 0.195 19.238 19.000 0.071 0.000 1.003 282 A HN 0.641 nan 8.150 nan 0.000 0.497 283 R N 0.781 121.318 120.500 0.061 0.000 2.458 283 R HA 0.306 4.646 4.340 -0.000 0.000 0.303 283 R C 0.449 176.771 176.300 0.038 0.000 1.013 283 R CA 0.704 56.829 56.100 0.042 0.000 1.026 283 R CB 0.200 30.512 30.300 0.021 0.000 0.948 283 R HN 0.809 nan 8.270 nan 0.000 0.417 284 A N 3.225 126.065 122.820 0.034 0.000 2.282 284 A HA 0.484 4.804 4.320 -0.000 0.000 0.324 284 A C -0.392 177.201 177.584 0.014 0.000 1.119 284 A CA -0.617 51.436 52.037 0.026 0.000 0.880 284 A CB 0.981 19.998 19.000 0.028 0.000 1.294 284 A HN 0.497 nan 8.150 nan 0.000 0.493 285 Q N -0.167 119.640 119.800 0.011 0.000 2.235 285 Q HA 0.295 4.635 4.340 -0.000 0.000 0.256 285 Q C 0.589 176.590 176.000 0.003 0.000 0.951 285 Q CA -0.811 54.996 55.803 0.006 0.000 0.890 285 Q CB 1.593 30.335 28.738 0.007 0.000 1.279 285 Q HN 0.644 nan 8.270 nan 0.000 0.444 286 L N 2.757 123.979 121.223 -0.001 0.000 2.042 286 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 286 L C 1.509 178.378 176.870 -0.003 0.000 1.076 286 L CA 2.421 57.258 54.840 -0.005 0.000 0.749 286 L CB -0.569 41.485 42.059 -0.008 0.000 0.893 286 L HN 0.760 nan 8.230 nan 0.000 0.432 287 D N -1.759 118.641 120.400 0.001 0.000 2.309 287 D HA -0.236 4.404 4.640 -0.000 0.000 0.212 287 D C 1.758 178.060 176.300 0.004 0.000 0.968 287 D CA 1.002 55.004 54.000 0.002 0.000 0.882 287 D CB -0.491 40.311 40.800 0.003 0.000 0.918 287 D HN 0.541 nan 8.370 nan 0.000 0.503 288 Q N -0.485 119.318 119.800 0.005 0.000 2.378 288 Q HA 0.161 4.501 4.340 -0.000 0.000 0.205 288 Q C 1.823 177.828 176.000 0.007 0.000 0.954 288 Q CA 0.416 56.223 55.803 0.008 0.000 0.901 288 Q CB 0.245 28.990 28.738 0.012 0.000 0.981 288 Q HN 0.380 nan 8.270 nan 0.000 0.483 289 L N -0.189 121.036 121.223 0.003 0.000 2.640 289 L HA 0.291 4.631 4.340 -0.000 0.000 0.230 289 L C 0.646 177.515 176.870 -0.000 0.000 1.123 289 L CA -0.625 54.215 54.840 0.000 0.000 0.900 289 L CB 0.174 42.230 42.059 -0.006 0.000 1.146 289 L HN -0.030 nan 8.230 nan 0.000 0.484 290 A N 0.814 123.634 122.820 0.000 0.000 2.511 290 A HA 0.443 4.763 4.320 -0.000 0.000 0.242 290 A C 0.855 178.440 177.584 0.002 0.000 1.069 290 A CA 0.396 52.433 52.037 0.001 0.000 0.763 290 A CB -0.001 19.000 19.000 0.001 0.000 1.001 290 A HN 0.262 nan 8.150 nan 0.000 0.498 291 G N 0.691 109.493 108.800 0.002 0.000 2.588 291 G HA2 0.544 4.504 3.960 -0.000 0.000 0.278 291 G HA3 0.544 4.504 3.960 -0.000 0.000 0.278 291 G C 0.415 175.316 174.900 0.003 0.000 1.307 291 G CA 0.070 45.172 45.100 0.003 0.000 1.016 291 G HN 1.293 nan 8.290 nan 0.000 0.503 292 G N -1.131 107.671 108.800 0.002 0.000 3.195 292 G HA2 0.517 4.477 3.960 -0.000 0.000 0.217 292 G HA3 0.517 4.477 3.960 -0.000 0.000 0.217 292 G C -0.830 174.071 174.900 0.001 0.000 1.166 292 G CA 0.193 45.294 45.100 0.001 0.000 0.812 292 G HN 0.775 nan 8.290 nan 0.000 0.617 293 D N -0.336 120.063 120.400 -0.001 0.000 2.433 293 D HA 0.478 5.118 4.640 -0.000 0.000 0.255 293 D C 1.628 177.922 176.300 -0.010 0.000 1.226 293 D CA 0.266 54.264 54.000 -0.003 0.000 1.015 293 D CB 0.658 41.456 40.800 -0.003 0.000 1.091 293 D HN 0.517 nan 8.370 nan 0.000 0.527 294 A N -0.521 122.290 122.820 -0.015 0.000 1.917 294 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 294 A C 2.016 179.581 177.584 -0.031 0.000 1.182 294 A CA 1.660 53.681 52.037 -0.028 0.000 0.633 294 A CB -0.731 18.248 19.000 -0.035 0.000 0.819 294 A HN 0.557 nan 8.150 nan 0.000 0.448 295 Q N -0.488 119.297 119.800 -0.025 0.000 2.137 295 Q HA 0.048 4.388 4.340 -0.000 0.000 0.198 295 Q C 2.324 178.313 176.000 -0.019 0.000 0.960 295 Q CA 1.396 57.184 55.803 -0.025 0.000 0.847 295 Q CB -0.929 27.796 28.738 -0.021 0.000 0.915 295 Q HN 0.635 nan 8.270 nan 0.000 0.448 296 A N 2.192 125.004 122.820 -0.013 0.000 1.877 296 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 296 A C 1.938 179.516 177.584 -0.009 0.000 1.186 296 A CA 1.574 53.605 52.037 -0.009 0.000 0.620 296 A CB -0.508 18.489 19.000 -0.005 0.000 0.822 296 A HN 0.284 nan 8.150 nan 0.000 0.443 297 N N 0.637 119.330 118.700 -0.012 0.000 2.069 297 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 297 N C 1.859 177.359 175.510 -0.016 0.000 1.031 297 N CA 1.726 54.769 53.050 -0.012 0.000 0.852 297 N CB -0.676 37.802 38.487 -0.015 0.000 1.018 297 N HN 0.468 nan 8.380 nan 0.000 0.423 298 A N 0.756 123.560 122.820 -0.026 0.000 1.933 298 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 298 A C 2.334 179.906 177.584 -0.020 0.000 1.175 298 A CA 1.893 53.911 52.037 -0.032 0.000 0.628 298 A CB -0.756 18.217 19.000 -0.046 0.000 0.814 298 A HN 0.331 nan 8.150 nan 0.000 0.444 299 A N -0.165 122.646 122.820 -0.015 0.000 1.898 299 A HA 0.206 4.526 4.320 -0.000 0.000 0.216 299 A C 2.497 180.079 177.584 -0.003 0.000 1.181 299 A CA 1.918 53.950 52.037 -0.009 0.000 0.620 299 A CB -0.967 18.028 19.000 -0.008 0.000 0.819 299 A HN 1.016 nan 8.150 nan 0.000 0.442 300 A N -0.503 122.316 122.820 -0.002 0.000 1.902 300 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 300 A C 2.223 179.811 177.584 0.007 0.000 1.181 300 A CA 1.736 53.775 52.037 0.004 0.000 0.623 300 A CB -0.950 18.053 19.000 0.004 0.000 0.818 300 A HN 0.369 nan 8.150 nan 0.000 0.443 301 V N 0.079 119.995 119.914 0.004 0.000 2.287 301 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 301 V C 2.668 178.769 176.094 0.012 0.000 1.053 301 V CA 2.373 64.680 62.300 0.011 0.000 1.027 301 V CB -0.796 31.031 31.823 0.007 0.000 0.646 301 V HN 0.532 nan 8.190 nan 0.000 0.447 302 R N -0.286 120.218 120.500 0.006 0.000 2.092 302 R HA -0.097 4.242 4.340 -0.000 0.000 0.231 302 R C 2.434 178.740 176.300 0.010 0.000 1.119 302 R CA 1.337 57.441 56.100 0.007 0.000 0.970 302 R CB -0.560 29.740 30.300 0.000 0.000 0.864 302 R HN 0.555 nan 8.270 nan 0.000 0.440 303 A N 0.671 123.496 122.820 0.009 0.000 1.865 303 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 303 A C 2.341 179.934 177.584 0.016 0.000 1.191 303 A CA 1.575 53.618 52.037 0.011 0.000 0.623 303 A CB -0.625 18.381 19.000 0.010 0.000 0.826 303 A HN 0.118 nan 8.150 nan 0.000 0.444 304 V N -0.420 119.505 119.914 0.018 0.000 2.307 304 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 304 V C 2.441 178.549 176.094 0.023 0.000 1.045 304 V CA 1.674 63.988 62.300 0.023 0.000 1.024 304 V CB -0.712 31.125 31.823 0.024 0.000 0.651 304 V HN 0.458 nan 8.190 nan 0.000 0.449 305 L N 1.061 122.298 121.223 0.023 0.000 2.201 305 L HA -0.002 4.338 4.340 -0.000 0.000 0.212 305 L C 2.339 179.221 176.870 0.020 0.000 1.105 305 L CA 2.054 56.908 54.840 0.023 0.000 0.775 305 L CB -1.485 40.590 42.059 0.028 0.000 0.913 305 L HN 0.381 nan 8.230 nan 0.000 0.440 306 G N -2.100 106.711 108.800 0.017 0.000 2.920 306 G HA2 0.318 4.278 3.960 -0.000 0.000 0.208 306 G HA3 0.318 4.278 3.960 -0.000 0.000 0.208 306 G C 1.170 176.078 174.900 0.015 0.000 1.159 306 G CA 0.537 45.645 45.100 0.015 0.000 0.784 306 G HN 0.548 nan 8.290 nan 0.000 0.535 307 G N -1.469 107.342 108.800 0.018 0.000 2.168 307 G HA2 0.178 4.138 3.960 -0.000 0.000 0.197 307 G HA3 0.178 4.138 3.960 -0.000 0.000 0.197 307 G C 0.445 175.357 174.900 0.020 0.000 0.997 307 G CA 0.039 45.150 45.100 0.019 0.000 0.658 307 G HN 1.224 nan 8.290 nan 0.000 0.513 308 A N 0.503 123.335 122.820 0.020 0.000 2.511 308 A HA 0.668 4.988 4.320 -0.000 0.000 0.242 308 A C 0.834 178.435 177.584 0.028 0.000 1.069 308 A CA 0.414 52.464 52.037 0.021 0.000 0.763 308 A CB 0.218 19.229 19.000 0.018 0.000 1.001 308 A HN 0.547 nan 8.150 nan 0.000 0.498 309 R N 1.045 121.562 120.500 0.028 0.000 2.643 309 R HA 0.750 5.090 4.340 -0.000 0.000 0.272 309 R C 0.416 176.740 176.300 0.039 0.000 0.995 309 R CA 0.250 56.373 56.100 0.037 0.000 1.032 309 R CB 1.737 32.056 30.300 0.032 0.000 1.126 309 R HN 1.266 nan 8.270 nan 0.000 0.505 310 G N 0.804 109.636 108.800 0.053 0.000 2.362 310 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.288 310 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.288 310 G C -2.568 172.372 174.900 0.066 0.000 1.305 310 G CA -1.043 44.088 45.100 0.052 0.000 0.910 310 G HN 0.331 nan 8.290 nan 0.000 0.518 311 P HA 0.004 nan 4.420 nan 0.000 0.218 311 P C 2.063 179.388 177.300 0.041 0.000 1.148 311 P CA 1.491 64.623 63.100 0.054 0.000 0.822 311 P CB 0.089 31.811 31.700 0.036 0.000 0.784 312 V N 0.255 120.190 119.914 0.034 0.000 2.307 312 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 312 V C 2.750 178.863 176.094 0.032 0.000 1.045 312 V CA 1.767 64.082 62.300 0.024 0.000 1.024 312 V CB -1.012 30.823 31.823 0.020 0.000 0.651 312 V HN 0.079 nan 8.190 nan 0.000 0.449 313 R N 0.298 120.827 120.500 0.048 0.000 2.083 313 R HA -0.231 4.109 4.340 -0.000 0.000 0.237 313 R C 2.007 178.361 176.300 0.089 0.000 1.137 313 R CA 2.370 58.508 56.100 0.063 0.000 0.951 313 R CB -0.557 29.785 30.300 0.070 0.000 0.851 313 R HN 0.488 nan 8.270 nan 0.000 0.434 314 D N 0.424 120.899 120.400 0.124 0.000 2.116 314 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 314 D C 1.781 178.046 176.300 -0.059 0.000 0.998 314 D CA 1.861 55.969 54.000 0.180 0.000 0.836 314 D CB -0.396 40.559 40.800 0.257 0.000 0.951 314 D HN 0.442 nan 8.370 nan 0.000 0.449 315 A N 0.424 123.207 122.820 -0.062 0.000 1.933 315 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 315 A C 2.537 180.080 177.584 -0.068 0.000 1.175 315 A CA 1.134 53.110 52.037 -0.101 0.000 0.628 315 A CB -0.655 18.313 19.000 -0.054 0.000 0.814 315 A HN 0.152 nan 8.150 nan 0.000 0.444 316 V N -0.424 119.478 119.914 -0.020 0.000 2.295 316 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 316 V C 2.588 178.682 176.094 -0.000 0.000 1.049 316 V CA 2.030 64.328 62.300 -0.003 0.000 1.024 316 V CB -0.773 31.060 31.823 0.016 0.000 0.648 316 V HN 0.375 nan 8.190 nan 0.000 0.447 317 V N -0.331 119.602 119.914 0.030 0.000 2.287 317 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 317 V C 2.388 178.509 176.094 0.045 0.000 1.053 317 V CA 2.163 64.507 62.300 0.072 0.000 1.027 317 V CB -0.636 31.303 31.823 0.193 0.000 0.646 317 V HN 0.499 nan 8.190 nan 0.000 0.447 318 L N 0.682 121.865 121.223 -0.067 0.000 2.012 318 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 318 L C 2.239 179.122 176.870 0.021 0.000 1.073 318 L CA 2.064 56.855 54.840 -0.082 0.000 0.748 318 L CB -0.914 40.935 42.059 -0.350 0.000 0.891 318 L HN 0.342 nan 8.230 nan 0.000 0.431 319 N N -0.436 118.246 118.700 -0.031 0.000 2.216 319 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 319 N C 1.790 177.269 175.510 -0.053 0.000 1.017 319 N CA 1.307 54.340 53.050 -0.027 0.000 0.861 319 N CB -0.190 38.282 38.487 -0.025 0.000 0.986 319 N HN 0.499 nan 8.380 nan 0.000 0.428 320 A N 1.498 124.289 122.820 -0.049 0.000 1.883 320 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 320 A C 2.419 179.922 177.584 -0.136 0.000 1.186 320 A CA 1.985 53.976 52.037 -0.075 0.000 0.624 320 A CB -0.796 18.174 19.000 -0.049 0.000 0.822 320 A HN 0.326 nan 8.150 nan 0.000 0.444 321 A N -0.556 122.190 122.820 -0.124 0.000 1.902 321 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 321 A C 2.436 179.655 177.584 -0.608 0.000 1.181 321 A CA 1.991 53.869 52.037 -0.265 0.000 0.623 321 A CB -1.437 17.515 19.000 -0.081 0.000 0.818 321 A HN 0.784 nan 8.150 nan 0.000 0.443 322 G N -0.494 108.007 108.800 -0.499 0.000 2.440 322 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 322 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 322 G C 1.732 176.399 174.900 -0.388 0.000 1.154 322 G CA 1.493 46.244 45.100 -0.582 0.000 0.767 322 G HN 0.819 nan 8.290 nan 0.000 0.552 323 A N 0.639 123.315 122.820 -0.242 0.000 1.933 323 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 323 A C 2.396 179.868 177.584 -0.187 0.000 1.175 323 A CA 1.230 53.162 52.037 -0.175 0.000 0.628 323 A CB -0.315 18.613 19.000 -0.121 0.000 0.814 323 A HN 0.388 nan 8.150 nan 0.000 0.444 324 I N -0.493 119.929 120.570 -0.246 0.000 2.252 324 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 324 I C 2.316 178.294 176.117 -0.231 0.000 1.102 324 I CA 0.916 62.085 61.300 -0.218 0.000 1.385 324 I CB -0.306 37.553 38.000 -0.235 0.000 1.064 324 I HN 0.144 nan 8.210 nan 0.000 0.414 325 V N 1.218 120.858 119.914 -0.456 0.000 2.287 325 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 325 V C 2.757 178.708 176.094 -0.238 0.000 1.053 325 V CA 2.150 64.150 62.300 -0.501 0.000 1.027 325 V CB -1.078 30.111 31.823 -1.057 0.000 0.646 325 V HN 0.515 nan 8.190 nan 0.000 0.447 326 A N -0.751 121.957 122.820 -0.188 0.000 1.902 326 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 326 A C 2.268 179.821 177.584 -0.051 0.000 1.181 326 A CA 2.030 54.017 52.037 -0.085 0.000 0.623 326 A CB -0.926 18.022 19.000 -0.087 0.000 0.818 326 A HN 0.739 nan 8.150 nan 0.000 0.443 327 H N 0.177 119.164 119.070 -0.138 0.000 2.352 327 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 327 H C 2.207 177.480 175.328 -0.091 0.000 1.097 327 H CA 1.805 57.788 56.048 -0.108 0.000 1.311 327 H CB -0.263 29.430 29.762 -0.115 0.000 1.377 327 H HN 0.393 nan 8.280 nan 0.000 0.504 328 A N 0.654 123.437 122.820 -0.061 0.000 1.978 328 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 328 A C 2.738 180.251 177.584 -0.119 0.000 1.170 328 A CA 1.439 53.414 52.037 -0.103 0.000 0.636 328 A CB -1.250 17.712 19.000 -0.063 0.000 0.810 328 A HN 0.594 nan 8.150 nan 0.000 0.448 329 G N -0.574 108.175 108.800 -0.086 0.000 2.559 329 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.216 329 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.216 329 G C 1.403 176.262 174.900 -0.068 0.000 1.126 329 G CA 0.789 45.862 45.100 -0.043 0.000 0.778 329 G HN 0.463 nan 8.290 nan 0.000 0.543 330 L N 0.155 121.298 121.223 -0.133 0.000 2.109 330 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 330 L C 2.990 179.795 176.870 -0.108 0.000 1.086 330 L CA 1.316 56.079 54.840 -0.129 0.000 0.760 330 L CB -0.155 41.785 42.059 -0.198 0.000 0.910 330 L HN 0.365 nan 8.230 nan 0.000 0.437 331 S N -1.674 113.949 115.700 -0.129 0.000 2.441 331 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 331 S C 1.226 175.797 174.600 -0.050 0.000 1.043 331 S CA -0.006 58.138 58.200 -0.092 0.000 0.948 331 S CB 0.220 63.353 63.200 -0.111 0.000 0.810 331 S HN 0.258 nan 8.310 nan 0.000 0.504 335 E N 2.188 122.471 120.200 0.139 0.000 2.360 335 E HA 0.007 4.357 4.350 -0.000 0.000 0.269 335 E C 0.849 177.629 176.600 0.300 0.000 1.022 335 E CA -0.510 56.013 56.400 0.204 0.000 0.887 335 E CB 0.841 30.638 29.700 0.161 0.000 0.990 335 E HN 0.852 nan 8.360 nan 0.000 0.426 336 W N 4.369 125.768 121.300 0.164 0.000 2.332 336 W HA -0.236 4.424 4.660 -0.000 0.000 0.321 336 W C 1.244 178.010 176.519 0.411 0.000 1.219 336 W CA 1.100 58.611 57.345 0.277 0.000 1.277 336 W CB -0.035 29.591 29.460 0.276 0.000 1.161 336 W HN 0.465 nan 8.180 nan 0.000 0.476 337 L N 0.433 121.907 121.223 0.417 0.000 2.017 337 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 337 L C -0.436 176.603 176.870 0.282 0.000 1.073 337 L CA 1.286 56.334 54.840 0.347 0.000 0.745 337 L CB -2.459 39.783 42.059 0.305 0.000 0.894 337 L HN -0.090 nan 8.230 nan 0.000 0.432 338 P HA -0.164 nan 4.420 nan 0.000 0.216 338 P C 1.499 178.836 177.300 0.061 0.000 1.150 338 P CA 1.725 64.901 63.100 0.127 0.000 0.837 338 P CB -0.012 31.749 31.700 0.102 0.000 0.786 339 A N -1.426 121.410 122.820 0.026 0.000 1.883 339 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 339 A C 2.121 179.547 177.584 -0.264 0.000 1.186 339 A CA 1.545 53.510 52.037 -0.120 0.000 0.624 339 A CB -1.907 17.002 19.000 -0.151 0.000 0.822 339 A HN 0.197 nan 8.150 nan 0.000 0.444 340 W N 0.216 121.339 121.300 -0.295 0.000 2.335 340 W HA -0.137 4.523 4.660 -0.000 0.000 0.311 340 W C 2.437 178.737 176.519 -0.365 0.000 1.213 340 W CA 1.532 58.603 57.345 -0.457 0.000 1.274 340 W CB -0.220 28.821 29.460 -0.698 0.000 1.148 340 W HN 0.445 nan 8.180 nan 0.000 0.498 341 E N -0.233 120.003 120.200 0.061 0.000 2.118 341 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 341 E C 1.815 178.420 176.600 0.008 0.000 0.992 341 E CA 1.581 58.026 56.400 0.074 0.000 0.804 341 E CB -0.254 29.538 29.700 0.153 0.000 0.741 341 E HN 0.231 nan 8.360 nan 0.000 0.458 342 E N 0.628 120.813 120.200 -0.026 0.000 2.046 342 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 342 E C 2.105 178.651 176.600 -0.090 0.000 0.982 342 E CA 1.459 57.831 56.400 -0.048 0.000 0.800 342 E CB -0.621 29.050 29.700 -0.048 0.000 0.756 342 E HN 0.214 nan 8.360 nan 0.000 0.449 343 G N 0.832 109.530 108.800 -0.171 0.000 2.469 343 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 343 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 343 G C 1.597 176.422 174.900 -0.125 0.000 1.150 343 G CA 1.190 46.156 45.100 -0.223 0.000 0.763 343 G HN 0.317 nan 8.290 nan 0.000 0.561 344 L N -0.311 120.875 121.223 -0.063 0.000 2.109 344 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 344 L C 2.884 179.767 176.870 0.022 0.000 1.086 344 L CA 1.024 55.882 54.840 0.030 0.000 0.760 344 L CB -0.346 41.765 42.059 0.087 0.000 0.910 344 L HN 0.189 nan 8.230 nan 0.000 0.437 345 R N 0.587 121.087 120.500 -0.001 0.000 2.073 345 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 345 R C 2.450 178.742 176.300 -0.014 0.000 1.134 345 R CA 1.587 57.685 56.100 -0.002 0.000 0.952 345 R CB -0.090 30.207 30.300 -0.005 0.000 0.850 345 R HN 0.263 nan 8.270 nan 0.000 0.433 346 R N -0.046 120.433 120.500 -0.035 0.000 2.075 346 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 346 R C 2.438 178.713 176.300 -0.043 0.000 1.126 346 R CA 1.291 57.363 56.100 -0.047 0.000 0.963 346 R CB -0.392 29.864 30.300 -0.074 0.000 0.858 346 R HN 0.291 nan 8.270 nan 0.000 0.435 347 A N 0.858 123.654 122.820 -0.040 0.000 1.865 347 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 347 A C 2.261 179.849 177.584 0.006 0.000 1.191 347 A CA 2.017 54.041 52.037 -0.021 0.000 0.623 347 A CB -0.686 18.308 19.000 -0.010 0.000 0.826 347 A HN 0.251 nan 8.150 nan 0.000 0.444 348 S N -0.268 115.446 115.700 0.025 0.000 2.359 348 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 348 S C 2.318 176.926 174.600 0.013 0.000 1.035 348 S CA 1.326 59.545 58.200 0.032 0.000 1.018 348 S CB -0.540 62.681 63.200 0.034 0.000 0.876 348 S HN 0.824 nan 8.310 nan 0.000 0.448 349 A N 1.674 124.495 122.820 0.001 0.000 1.902 349 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 349 A C 2.389 179.968 177.584 -0.008 0.000 1.181 349 A CA 1.775 53.809 52.037 -0.005 0.000 0.623 349 A CB -1.225 17.768 19.000 -0.012 0.000 0.818 349 A HN 0.523 nan 8.150 nan 0.000 0.443 350 A N 0.033 122.844 122.820 -0.015 0.000 1.927 350 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 350 A C 2.143 179.724 177.584 -0.006 0.000 1.185 350 A CA 1.849 53.875 52.037 -0.019 0.000 0.639 350 A CB -0.658 18.323 19.000 -0.031 0.000 0.820 350 A HN 0.546 nan 8.150 nan 0.000 0.451 351 I N -0.546 120.026 120.570 0.003 0.000 2.162 351 I HA -0.173 3.997 4.170 -0.000 0.000 0.238 351 I C 1.809 177.932 176.117 0.010 0.000 1.076 351 I CA 1.454 62.760 61.300 0.011 0.000 1.353 351 I CB -0.563 37.450 38.000 0.021 0.000 1.063 351 I HN 0.210 nan 8.210 nan 0.000 0.408 352 D N 0.571 120.977 120.400 0.010 0.000 2.218 352 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 352 D C 2.160 178.462 176.300 0.005 0.000 0.976 352 D CA 1.860 55.865 54.000 0.008 0.000 0.853 352 D CB -0.366 40.439 40.800 0.008 0.000 0.939 352 D HN 0.413 nan 8.370 nan 0.000 0.481 353 T N -3.117 111.438 114.554 0.002 0.000 3.118 353 T HA 0.215 4.564 4.350 -0.000 0.000 0.260 353 T C 1.744 176.446 174.700 0.002 0.000 1.139 353 T CA 0.865 62.965 62.100 -0.000 0.000 1.085 353 T CB 0.088 68.954 68.868 -0.004 0.000 0.934 353 T HN 0.218 nan 8.240 nan 0.000 0.518 354 G N 0.756 109.559 108.800 0.004 0.000 2.184 354 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.264 354 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.264 354 G C 1.191 176.094 174.900 0.006 0.000 0.975 354 G CA 0.317 45.421 45.100 0.007 0.000 0.642 354 G HN 1.075 nan 8.290 nan 0.000 0.536 355 A N 0.115 122.935 122.820 -0.000 0.000 1.940 355 A HA 0.331 4.651 4.320 -0.000 0.000 0.219 355 A C 2.803 180.386 177.584 -0.002 0.000 1.176 355 A CA 2.762 54.796 52.037 -0.005 0.000 0.631 355 A CB -0.765 18.225 19.000 -0.017 0.000 0.814 355 A HN 1.808 nan 8.150 nan 0.000 0.446 356 A N -0.458 122.363 122.820 0.002 0.000 1.854 356 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 356 A C 2.022 179.623 177.584 0.029 0.000 1.192 356 A CA 1.648 53.691 52.037 0.010 0.000 0.611 356 A CB -0.600 18.407 19.000 0.011 0.000 0.832 356 A HN 0.635 nan 8.150 nan 0.000 0.442 357 E N -0.714 119.503 120.200 0.027 0.000 2.097 357 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 357 E C 2.051 178.675 176.600 0.040 0.000 1.000 357 E CA 1.489 57.909 56.400 0.033 0.000 0.804 357 E CB -0.064 29.650 29.700 0.024 0.000 0.740 357 E HN 0.543 nan 8.360 nan 0.000 0.454 358 Q N 0.208 120.028 119.800 0.032 0.000 2.172 358 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 358 Q C 2.352 178.380 176.000 0.048 0.000 0.964 358 Q CA 0.628 56.452 55.803 0.035 0.000 0.855 358 Q CB -0.300 28.451 28.738 0.022 0.000 0.918 358 Q HN 0.377 nan 8.270 nan 0.000 0.444 359 L N 0.476 121.722 121.223 0.039 0.000 2.017 359 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 359 L C 2.206 179.152 176.870 0.126 0.000 1.073 359 L CA 0.970 55.834 54.840 0.041 0.000 0.745 359 L CB -0.388 41.665 42.059 -0.011 0.000 0.894 359 L HN 0.191 nan 8.230 nan 0.000 0.432 360 L N 0.109 121.423 121.223 0.151 0.000 2.012 360 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 360 L C 2.560 179.544 176.870 0.189 0.000 1.073 360 L CA 2.172 57.150 54.840 0.230 0.000 0.748 360 L CB -1.042 41.108 42.059 0.151 0.000 0.891 360 L HN 0.294 nan 8.230 nan 0.000 0.431 361 A N -0.309 122.581 122.820 0.117 0.000 1.883 361 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 361 A C 2.400 180.058 177.584 0.123 0.000 1.186 361 A CA 1.969 54.061 52.037 0.092 0.000 0.624 361 A CB -0.603 18.433 19.000 0.060 0.000 0.822 361 A HN 0.544 nan 8.150 nan 0.000 0.444 362 R N -2.230 118.350 120.500 0.134 0.000 2.105 362 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 362 R C 2.034 178.495 176.300 0.268 0.000 1.135 362 R CA 1.496 57.690 56.100 0.156 0.000 0.967 362 R CB -0.382 29.980 30.300 0.103 0.000 0.861 362 R HN 0.774 nan 8.270 nan 0.000 0.442 363 W N 1.287 122.614 121.300 0.045 0.000 2.355 363 W HA -0.150 4.510 4.660 0.000 0.000 0.309 363 W C 1.901 178.484 176.519 0.106 0.000 1.206 363 W CA 0.853 58.233 57.345 0.058 0.000 1.284 363 W CB -0.730 28.736 29.460 0.011 0.000 1.145 363 W HN -0.222 nan 8.180 nan 0.000 0.502 364 V N 1.190 121.209 119.914 0.175 0.000 2.287 364 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 364 V C 2.630 178.772 176.094 0.080 0.000 1.053 364 V CA 2.454 64.767 62.300 0.020 0.000 1.027 364 V CB -1.104 30.710 31.823 -0.016 0.000 0.646 364 V HN 0.163 nan 8.190 nan 0.000 0.447 365 R N -0.586 119.987 120.500 0.121 0.000 2.096 365 R HA -0.259 4.081 4.340 -0.000 0.000 0.240 365 R C 2.290 178.673 176.300 0.139 0.000 1.139 365 R CA 2.427 58.592 56.100 0.109 0.000 0.952 365 R CB -0.520 29.848 30.300 0.113 0.000 0.854 365 R HN 0.491 nan 8.270 nan 0.000 0.436 366 F N 0.511 120.518 119.950 0.095 0.000 2.069 366 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 366 F C 2.066 177.913 175.800 0.078 0.000 1.113 366 F CA 2.171 60.233 58.000 0.105 0.000 1.214 366 F CB -0.784 38.321 39.000 0.175 0.000 0.978 366 F HN 0.133 nan 8.300 nan 0.000 0.474 367 G N -0.155 108.745 108.800 0.167 0.000 2.443 367 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 367 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 367 G C 1.604 176.453 174.900 -0.084 0.000 1.131 367 G CA 0.263 45.371 45.100 0.015 0.000 0.775 367 G HN 0.164 nan 8.290 nan 0.000 0.547 368 R N 0.354 120.819 120.500 -0.059 0.000 2.299 368 R HA 0.175 4.515 4.340 -0.000 0.000 0.197 368 R C 1.253 177.504 176.300 -0.081 0.000 0.971 368 R CA -0.089 55.974 56.100 -0.061 0.000 1.030 368 R CB -0.319 29.960 30.300 -0.035 0.000 0.932 368 R HN 0.523 nan 8.270 nan 0.000 0.477 369 Q N 0.131 119.854 119.800 -0.130 0.000 2.492 369 Q HA 0.161 4.501 4.340 -0.000 0.000 0.238 369 Q C -0.029 175.887 176.000 -0.141 0.000 1.045 369 Q CA -0.051 55.667 55.803 -0.142 0.000 0.934 369 Q CB 0.801 29.412 28.738 -0.213 0.000 1.276 369 Q HN 0.083 nan 8.270 nan 0.000 0.521 370 I N 2.833 123.339 120.570 -0.106 0.000 2.293 370 I HA 0.056 4.226 4.170 -0.000 0.000 0.299 370 I C -0.533 175.521 176.117 -0.105 0.000 1.153 370 I CA 0.047 61.295 61.300 -0.087 0.000 1.302 370 I CB -0.168 37.799 38.000 -0.056 0.000 1.460 370 I HN 0.230 nan 8.210 nan 0.000 0.552 371 L N 6.340 127.485 121.223 -0.131 0.000 2.265 371 L HA 0.620 4.960 4.340 -0.000 0.000 0.288 371 L C 0.410 177.239 176.870 -0.070 0.000 1.058 371 L CA -0.289 54.467 54.840 -0.141 0.000 0.809 371 L CB 1.140 43.071 42.059 -0.214 0.000 1.179 371 L HN 0.576 nan 8.230 nan 0.000 0.429 372 A N 2.950 125.744 122.820 -0.044 0.000 2.337 372 A HA 0.863 5.183 4.320 -0.000 0.000 0.329 372 A C 0.079 177.660 177.584 -0.005 0.000 1.146 372 A CA -0.399 51.624 52.037 -0.022 0.000 0.800 372 A CB 1.389 20.378 19.000 -0.018 0.000 1.220 372 A HN 0.762 nan 8.150 nan 0.000 0.472 373 A N 0.000 122.818 122.820 -0.003 0.000 2.254 373 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 373 A CA 0.000 52.039 52.037 0.004 0.000 0.836 373 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 373 A HN 0.000 nan 8.150 nan 0.000 0.486