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 2v7v_1_C DATA FIRST_RESID 8 DATA SEQUENCE RPIIAFMSDL GTTDDSVAQC KGLMYSICPD VTVVDVCHSM TPWDVEEGAR DATA SEQUENCE YIVDLPRFFP EGTVFATTTY PATGTTTRSV AVRIKQAAKG GARGQWAGSG DATA SEQUENCE AGFERAEGSY IYIAPNNGLL TTVLEEHGYL EAYEVTSPKV IPEQPEPTFY DATA SEQUENCE SREMVAIPSA HLAAGFPLSE VGRPLEDHEI VRFNRPAVEQ DGEALVGVVS DATA SEQUENCE AIDHPFGNVW TNIHRTDLEK AGIGYGARLR LTLDGVLPFE APLTPTFADA DATA SEQUENCE GEIGNIAIYL NSRGYLSIAR NAASLAYPYH LKEGMSARVE A 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.301 176.300 0.002 0.000 0.893 8 R CA 0.000 56.103 56.100 0.005 0.000 0.921 8 R CB 0.000 30.306 30.300 0.010 0.000 0.687 9 P HA 0.244 nan 4.420 nan 0.000 0.271 9 P C -0.185 177.098 177.300 -0.029 0.000 1.216 9 P CA 0.123 63.205 63.100 -0.031 0.000 0.776 9 P CB 1.152 32.824 31.700 -0.047 0.000 0.881 10 I N 2.424 122.968 120.570 -0.043 0.000 2.509 10 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 10 I C 0.142 176.169 176.117 -0.150 0.000 1.020 10 I CA -0.974 60.301 61.300 -0.041 0.000 1.088 10 I CB 1.885 39.922 38.000 0.063 0.000 1.267 10 I HN 0.157 nan 8.210 nan 0.000 0.430 11 I N 5.040 125.516 120.570 -0.157 0.000 2.362 11 I HA 0.513 4.683 4.170 -0.000 0.000 0.289 11 I C 0.073 176.093 176.117 -0.161 0.000 0.994 11 I CA -0.466 60.703 61.300 -0.219 0.000 1.158 11 I CB 1.778 39.643 38.000 -0.224 0.000 1.315 11 I HN 0.585 nan 8.210 nan 0.000 0.451 12 A N 6.857 129.507 122.820 -0.283 0.000 2.260 12 A HA 0.618 4.938 4.320 -0.000 0.000 0.308 12 A C -1.057 176.608 177.584 0.136 0.000 1.254 12 A CA -0.232 51.733 52.037 -0.121 0.000 0.874 12 A CB 0.427 19.174 19.000 -0.423 0.000 1.153 12 A HN 0.518 nan 8.150 nan 0.000 0.527 13 F N 4.418 124.380 119.950 0.020 0.000 2.427 13 F HA 0.608 5.135 4.527 -0.000 0.000 0.348 13 F C -0.534 175.279 175.800 0.021 0.000 1.125 13 F CA -1.707 56.340 58.000 0.079 0.000 0.989 13 F CB 1.685 40.774 39.000 0.149 0.000 1.165 13 F HN 0.480 nan 8.300 nan 0.000 0.442 14 M N 6.642 126.288 119.600 0.076 0.000 2.190 14 M HA 0.458 4.938 4.480 -0.000 0.000 0.312 14 M C -1.195 175.035 176.300 -0.116 0.000 0.990 14 M CA 0.020 55.217 55.300 -0.171 0.000 0.927 14 M CB 1.307 33.932 32.600 0.041 0.000 1.571 14 M HN 0.753 nan 8.290 nan 0.000 0.427 15 S N 2.735 118.313 115.700 -0.203 0.000 2.720 15 S HA 0.638 5.108 4.470 -0.000 0.000 0.287 15 S C -0.414 174.225 174.600 0.063 0.000 1.168 15 S CA -0.531 57.690 58.200 0.036 0.000 0.832 15 S CB 1.764 64.987 63.200 0.040 0.000 1.166 15 S HN 0.667 nan 8.310 nan 0.000 0.493 16 D N -0.026 120.422 120.400 0.081 0.000 2.463 16 D HA 0.195 4.835 4.640 -0.000 0.000 0.224 16 D C 1.027 177.324 176.300 -0.005 0.000 1.174 16 D CA -0.278 53.727 54.000 0.007 0.000 0.829 16 D CB -0.518 40.242 40.800 -0.066 0.000 0.993 16 D HN 0.463 nan 8.370 nan 0.000 0.497 17 L N 0.038 121.288 121.223 0.046 0.000 2.478 17 L HA 0.248 4.587 4.340 -0.000 0.000 0.223 17 L C 1.393 178.243 176.870 -0.033 0.000 1.140 17 L CA 0.529 55.379 54.840 0.015 0.000 0.842 17 L CB -0.619 41.479 42.059 0.065 0.000 0.953 17 L HN 0.347 nan 8.230 nan 0.000 0.452 18 G N 0.395 109.184 108.800 -0.018 0.000 2.828 18 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.463 18 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.463 18 G C 0.265 175.140 174.900 -0.042 0.000 1.394 18 G CA -0.124 44.959 45.100 -0.029 0.000 0.862 18 G HN 0.233 nan 8.290 nan 0.000 0.540 19 T N -3.920 110.613 114.554 -0.035 0.000 3.380 19 T HA 0.489 4.838 4.350 -0.000 0.000 0.289 19 T C 1.434 176.115 174.700 -0.032 0.000 1.012 19 T CA 1.107 63.184 62.100 -0.038 0.000 0.944 19 T CB 0.138 68.997 68.868 -0.014 0.000 1.172 19 T HN 1.675 nan 8.240 nan 0.000 0.502 20 T N -1.565 112.967 114.554 -0.036 0.000 3.022 20 T HA 0.224 4.574 4.350 -0.000 0.000 0.250 20 T C 0.411 175.096 174.700 -0.024 0.000 1.060 20 T CA 0.223 62.304 62.100 -0.031 0.000 1.013 20 T CB 0.062 68.907 68.868 -0.037 0.000 0.982 20 T HN 0.598 nan 8.240 nan 0.000 0.508 21 D N 0.925 121.311 120.400 -0.022 0.000 2.837 21 D HA 0.157 4.797 4.640 -0.000 0.000 0.294 21 D C -0.209 176.095 176.300 0.005 0.000 1.158 21 D CA -0.486 53.507 54.000 -0.011 0.000 1.073 21 D CB 0.394 41.183 40.800 -0.019 0.000 1.419 21 D HN 0.048 nan 8.370 nan 0.000 0.584 22 D N -0.751 119.663 120.400 0.024 0.000 2.336 22 D HA 0.002 4.642 4.640 -0.000 0.000 0.229 22 D C 0.899 177.261 176.300 0.103 0.000 1.061 22 D CA -0.006 54.026 54.000 0.053 0.000 0.875 22 D CB -0.010 40.824 40.800 0.055 0.000 0.904 22 D HN 0.168 nan 8.370 nan 0.000 0.525 23 S N 0.125 115.887 115.700 0.104 0.000 2.353 23 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 23 S C 2.187 176.968 174.600 0.302 0.000 1.035 23 S CA 0.986 59.337 58.200 0.252 0.000 1.025 23 S CB -0.279 62.994 63.200 0.121 0.000 0.902 23 S HN 0.221 nan 8.310 nan 0.000 0.440 24 V N 2.020 122.009 119.914 0.125 0.000 2.343 24 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 24 V C 2.636 178.826 176.094 0.160 0.000 1.051 24 V CA 1.683 64.037 62.300 0.090 0.000 1.036 24 V CB -1.226 30.431 31.823 -0.277 0.000 0.654 24 V HN 0.545 nan 8.190 nan 0.000 0.451 25 A N -0.878 122.007 122.820 0.109 0.000 1.902 25 A HA -0.298 4.021 4.320 -0.000 0.000 0.217 25 A C 2.171 179.818 177.584 0.105 0.000 1.181 25 A CA 1.967 54.069 52.037 0.109 0.000 0.623 25 A CB -0.494 18.554 19.000 0.080 0.000 0.818 25 A HN 0.631 nan 8.150 nan 0.000 0.443 26 Q N -0.897 118.971 119.800 0.113 0.000 2.061 26 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 26 Q C 2.369 178.370 176.000 0.001 0.000 0.984 26 Q CA 1.828 57.676 55.803 0.075 0.000 0.846 26 Q CB -0.542 28.273 28.738 0.130 0.000 0.902 26 Q HN 0.783 nan 8.270 nan 0.000 0.421 27 C N 0.733 120.036 119.300 0.004 0.000 2.432 27 C HA -0.130 4.329 4.460 -0.000 0.000 0.277 27 C C 2.465 177.372 174.990 -0.137 0.000 1.249 27 C CA 0.741 59.696 59.018 -0.105 0.000 1.725 27 C CB -0.704 27.027 27.740 -0.016 0.000 2.028 27 C HN 0.470 nan 8.230 nan 0.000 0.477 28 K N 0.559 120.950 120.400 -0.014 0.000 2.057 28 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 28 K C 2.272 178.922 176.600 0.082 0.000 1.049 28 K CA 1.603 57.886 56.287 -0.007 0.000 0.931 28 K CB -0.558 32.053 32.500 0.186 0.000 0.714 28 K HN 0.596 nan 8.250 nan 0.000 0.440 29 G N 1.593 110.466 108.800 0.123 0.000 2.440 29 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.218 29 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.218 29 G C 1.488 176.423 174.900 0.058 0.000 1.154 29 G CA 0.720 45.904 45.100 0.139 0.000 0.767 29 G HN 0.103 nan 8.290 nan 0.000 0.552 30 L N -0.309 120.892 121.223 -0.037 0.000 2.093 30 L HA -0.027 4.312 4.340 -0.000 0.000 0.208 30 L C 3.092 179.867 176.870 -0.158 0.000 1.085 30 L CA 0.876 55.658 54.840 -0.096 0.000 0.755 30 L CB -0.334 41.647 42.059 -0.131 0.000 0.904 30 L HN 0.231 nan 8.230 nan 0.000 0.435 31 M N -1.487 117.972 119.600 -0.235 0.000 2.080 31 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 31 M C 2.292 178.398 176.300 -0.325 0.000 1.068 31 M CA 2.038 57.127 55.300 -0.353 0.000 1.109 31 M CB -0.507 31.789 32.600 -0.508 0.000 1.342 31 M HN 0.114 nan 8.290 nan 0.000 0.405 32 Y N -0.214 120.027 120.300 -0.098 0.000 2.293 32 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 32 Y C 2.761 178.615 175.900 -0.078 0.000 1.137 32 Y CA 1.191 59.247 58.100 -0.073 0.000 1.202 32 Y CB -0.840 37.591 38.460 -0.047 0.000 0.990 32 Y HN 0.210 nan 8.280 nan 0.000 0.537 33 S N 0.174 115.905 115.700 0.052 0.000 2.356 33 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 33 S C 2.005 176.565 174.600 -0.067 0.000 1.032 33 S CA 1.650 59.846 58.200 -0.008 0.000 1.005 33 S CB -0.464 62.719 63.200 -0.028 0.000 0.867 33 S HN 0.384 nan 8.310 nan 0.000 0.449 34 I N -0.398 120.083 120.570 -0.149 0.000 2.480 34 I HA 0.023 4.193 4.170 -0.000 0.000 0.251 34 I C 0.945 176.945 176.117 -0.196 0.000 1.124 34 I CA 0.491 61.639 61.300 -0.254 0.000 1.444 34 I CB 0.184 37.880 38.000 -0.507 0.000 1.098 34 I HN 0.274 nan 8.210 nan 0.000 0.428 35 C N 2.308 121.515 119.300 -0.154 0.000 2.816 35 C HA 0.392 4.852 4.460 -0.000 0.000 0.255 35 C C -1.365 173.603 174.990 -0.036 0.000 1.141 35 C CA -1.686 57.269 59.018 -0.106 0.000 1.554 35 C CB -0.325 27.329 27.740 -0.144 0.000 1.778 35 C HN 0.107 nan 8.230 nan 0.000 0.429 36 P HA -0.127 nan 4.420 nan 0.000 0.218 36 P C 0.927 178.277 177.300 0.083 0.000 1.148 36 P CA 1.608 64.741 63.100 0.055 0.000 0.822 36 P CB 0.068 31.785 31.700 0.027 0.000 0.784 37 D N -1.351 119.075 120.400 0.044 0.000 2.328 37 D HA 0.004 4.644 4.640 -0.000 0.000 0.226 37 D C 0.596 176.928 176.300 0.054 0.000 1.066 37 D CA -0.228 53.800 54.000 0.047 0.000 0.861 37 D CB -0.910 39.902 40.800 0.021 0.000 0.912 37 D HN 0.009 nan 8.370 nan 0.000 0.521 38 V N 0.592 120.532 119.914 0.044 0.000 2.963 38 V HA 0.162 4.282 4.120 -0.000 0.000 0.306 38 V C 0.016 176.151 176.094 0.069 0.000 1.077 38 V CA 0.303 62.595 62.300 -0.013 0.000 1.124 38 V CB 1.265 32.994 31.823 -0.155 0.000 0.987 38 V HN 0.211 nan 8.190 nan 0.000 0.487 39 T N 5.736 120.313 114.554 0.039 0.000 2.770 39 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 39 T C -0.558 174.161 174.700 0.031 0.000 0.988 39 T CA -0.274 61.885 62.100 0.097 0.000 0.957 39 T CB 1.311 70.243 68.868 0.106 0.000 0.930 39 T HN 0.506 nan 8.240 nan 0.000 0.443 40 V N 4.554 124.496 119.914 0.046 0.000 2.383 40 V HA 0.393 4.513 4.120 -0.000 0.000 0.275 40 V C 0.007 176.192 176.094 0.151 0.000 1.036 40 V CA -0.667 61.645 62.300 0.019 0.000 0.889 40 V CB 1.386 33.162 31.823 -0.079 0.000 0.985 40 V HN 0.668 nan 8.190 nan 0.000 0.459 41 V N 4.198 124.215 119.914 0.173 0.000 2.384 41 V HA 0.367 4.487 4.120 -0.000 0.000 0.287 41 V C -0.159 176.081 176.094 0.243 0.000 1.020 41 V CA -0.803 61.637 62.300 0.233 0.000 0.850 41 V CB 1.712 33.741 31.823 0.345 0.000 0.987 41 V HN 0.782 nan 8.190 nan 0.000 0.436 42 D N 3.364 123.900 120.400 0.227 0.000 2.351 42 D HA 0.239 4.879 4.640 -0.000 0.000 0.251 42 D C 0.774 177.117 176.300 0.072 0.000 1.137 42 D CA 0.005 54.111 54.000 0.176 0.000 0.879 42 D CB 2.432 43.349 40.800 0.194 0.000 1.181 42 D HN 0.232 nan 8.370 nan 0.000 0.448 43 V N 1.847 121.736 119.914 -0.042 0.000 2.284 43 V HA -0.004 4.116 4.120 -0.000 0.000 0.236 43 V C 0.928 176.907 176.094 -0.192 0.000 1.044 43 V CA 0.935 63.207 62.300 -0.046 0.000 1.019 43 V CB -0.143 31.678 31.823 -0.003 0.000 0.657 43 V HN 0.880 nan 8.190 nan 0.000 0.465 44 C N -2.023 117.041 119.300 -0.395 0.000 3.312 44 C HA 0.589 5.049 4.460 -0.000 0.000 0.332 44 C C 0.022 174.615 174.990 -0.662 0.000 1.340 44 C CA -0.670 58.087 59.018 -0.435 0.000 1.265 44 C CB 0.948 28.459 27.740 -0.381 0.000 1.563 44 C HN 0.554 nan 8.230 nan 0.000 0.471 45 H N 0.213 119.192 119.070 -0.150 0.000 3.052 45 H HA 0.192 4.748 4.556 -0.000 0.000 0.257 45 H C 1.417 176.678 175.328 -0.113 0.000 1.193 45 H CA 0.890 56.846 56.048 -0.153 0.000 1.072 45 H CB 0.682 30.339 29.762 -0.174 0.000 1.685 45 H HN 0.863 nan 8.280 nan 0.000 0.630 46 S N 0.301 115.971 115.700 -0.050 0.000 2.540 46 S HA 0.059 4.529 4.470 -0.000 0.000 0.218 46 S C 1.100 175.683 174.600 -0.029 0.000 0.977 46 S CA -0.573 57.593 58.200 -0.057 0.000 0.918 46 S CB -0.288 62.856 63.200 -0.093 0.000 0.806 46 S HN 0.307 nan 8.310 nan 0.000 0.496 47 M N 1.432 121.053 119.600 0.036 0.000 2.247 47 M HA 0.207 4.687 4.480 -0.000 0.000 0.318 47 M C -0.329 175.956 176.300 -0.025 0.000 1.054 47 M CA 0.260 55.635 55.300 0.126 0.000 1.117 47 M CB -0.651 32.073 32.600 0.207 0.000 1.515 47 M HN -0.106 nan 8.290 nan 0.000 0.442 48 T N 3.611 118.143 114.554 -0.036 0.000 2.831 48 T HA 0.169 4.519 4.350 -0.000 0.000 0.291 48 T C -2.257 172.293 174.700 -0.251 0.000 0.981 48 T CA -0.399 61.622 62.100 -0.132 0.000 1.174 48 T CB -0.513 68.308 68.868 -0.078 0.000 0.929 48 T HN 0.518 nan 8.240 nan 0.000 0.532 49 P HA -0.075 nan 4.420 nan 0.000 0.262 49 P C 0.232 177.051 177.300 -0.801 0.000 1.182 49 P CA 0.310 62.821 63.100 -0.982 0.000 0.761 49 P CB 0.111 30.724 31.700 -1.812 0.000 0.795 50 W N 0.277 121.594 121.300 0.029 0.000 1.828 50 W HA -0.166 4.493 4.660 -0.000 0.000 0.253 50 W C -0.021 176.491 176.519 -0.013 0.000 1.019 50 W CA 0.192 57.546 57.345 0.016 0.000 0.447 50 W CB -2.263 27.206 29.460 0.015 0.000 2.033 50 W HN 0.358 nan 8.180 nan 0.000 1.268 51 D N 2.094 122.539 120.400 0.075 0.000 2.453 51 D HA 0.336 4.976 4.640 -0.000 0.000 0.223 51 D C 1.421 177.688 176.300 -0.055 0.000 1.183 51 D CA 0.709 54.707 54.000 -0.004 0.000 0.933 51 D CB 0.719 41.486 40.800 -0.054 0.000 1.038 51 D HN -0.008 nan 8.370 nan 0.000 0.513 52 V N 1.912 121.795 119.914 -0.052 0.000 2.515 52 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 52 V C 1.651 177.625 176.094 -0.200 0.000 1.058 52 V CA 1.231 63.502 62.300 -0.048 0.000 1.064 52 V CB -0.531 31.323 31.823 0.052 0.000 0.675 52 V HN 0.195 nan 8.190 nan 0.000 0.461 53 E N 0.883 120.804 120.200 -0.464 0.000 2.110 53 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 53 E C 2.206 178.596 176.600 -0.349 0.000 0.988 53 E CA 1.628 57.633 56.400 -0.658 0.000 0.804 53 E CB -0.304 28.960 29.700 -0.727 0.000 0.745 53 E HN 0.869 nan 8.360 nan 0.000 0.458 54 E N 0.079 120.099 120.200 -0.300 0.000 2.046 54 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 54 E C 2.216 178.495 176.600 -0.535 0.000 0.982 54 E CA 1.059 57.226 56.400 -0.389 0.000 0.800 54 E CB -0.323 29.210 29.700 -0.279 0.000 0.756 54 E HN 0.286 nan 8.360 nan 0.000 0.449 55 G N 1.022 109.666 108.800 -0.260 0.000 2.505 55 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.220 55 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.220 55 G C 1.671 176.531 174.900 -0.068 0.000 1.145 55 G CA 1.314 46.353 45.100 -0.102 0.000 0.761 55 G HN 0.443 nan 8.290 nan 0.000 0.571 56 A N 0.727 123.526 122.820 -0.035 0.000 1.908 56 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 56 A C 2.448 180.042 177.584 0.017 0.000 1.181 56 A CA 1.723 53.799 52.037 0.065 0.000 0.627 56 A CB -0.406 18.751 19.000 0.263 0.000 0.818 56 A HN 0.400 nan 8.150 nan 0.000 0.445 57 R N -1.770 118.663 120.500 -0.112 0.000 2.152 57 R HA -0.119 4.220 4.340 -0.000 0.000 0.232 57 R C 1.383 177.725 176.300 0.070 0.000 1.117 57 R CA 1.390 57.449 56.100 -0.068 0.000 0.981 57 R CB -0.360 29.838 30.300 -0.170 0.000 0.870 57 R HN 0.665 nan 8.270 nan 0.000 0.451 58 Y N 0.237 120.589 120.300 0.087 0.000 2.546 58 Y HA 0.054 4.604 4.550 -0.000 0.000 0.287 58 Y C 1.920 177.866 175.900 0.076 0.000 1.158 58 Y CA -0.044 58.103 58.100 0.078 0.000 1.307 58 Y CB -0.158 38.326 38.460 0.040 0.000 1.036 58 Y HN 0.146 nan 8.280 nan 0.000 0.532 59 I N -5.582 115.112 120.570 0.207 0.000 4.592 59 I HA 0.160 4.330 4.170 -0.000 0.000 0.329 59 I C 1.563 177.752 176.117 0.120 0.000 1.309 59 I CA 0.294 61.684 61.300 0.151 0.000 1.243 59 I CB -0.344 37.782 38.000 0.211 0.000 1.241 59 I HN -0.179 nan 8.210 nan 0.000 0.434 60 V N 2.264 122.255 119.914 0.128 0.000 2.515 60 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 60 V C 1.532 177.770 176.094 0.240 0.000 1.058 60 V CA 2.756 65.138 62.300 0.136 0.000 1.064 60 V CB -0.396 31.487 31.823 0.100 0.000 0.675 60 V HN 0.564 nan 8.190 nan 0.000 0.461 61 D N -1.556 118.979 120.400 0.225 0.000 2.424 61 D HA 0.131 4.770 4.640 -0.000 0.000 0.220 61 D C 1.659 178.180 176.300 0.367 0.000 1.150 61 D CA 0.108 54.287 54.000 0.298 0.000 0.831 61 D CB -0.066 40.919 40.800 0.307 0.000 0.981 61 D HN 0.435 nan 8.370 nan 0.000 0.500 62 L N 0.410 121.742 121.223 0.182 0.000 2.093 62 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 62 L C -0.525 176.495 176.870 0.250 0.000 1.085 62 L CA 1.073 56.038 54.840 0.208 0.000 0.755 62 L CB -1.379 40.502 42.059 -0.296 0.000 0.904 62 L HN 0.086 nan 8.230 nan 0.000 0.435 63 P HA -0.206 nan 4.420 nan 0.000 0.215 63 P C 1.244 178.440 177.300 -0.172 0.000 1.153 63 P CA 1.375 64.217 63.100 -0.430 0.000 0.853 63 P CB -0.170 31.087 31.700 -0.738 0.000 0.788 64 R N -1.301 119.176 120.500 -0.039 0.000 2.189 64 R HA -0.037 4.303 4.340 -0.000 0.000 0.223 64 R C 1.440 177.672 176.300 -0.112 0.000 1.092 64 R CA 1.319 57.396 56.100 -0.038 0.000 0.989 64 R CB -1.347 28.858 30.300 -0.159 0.000 0.876 64 R HN 0.164 nan 8.270 nan 0.000 0.457 65 F N 0.070 120.187 119.950 0.279 0.000 2.615 65 F HA 0.266 4.793 4.527 -0.000 0.000 0.297 65 F C 0.485 176.321 175.800 0.060 0.000 1.124 65 F CA 0.004 58.112 58.000 0.180 0.000 1.451 65 F CB 0.075 39.142 39.000 0.112 0.000 1.103 65 F HN -0.168 nan 8.300 nan 0.000 0.569 66 F N 0.352 120.533 119.950 0.385 0.000 2.432 66 F HA 0.442 4.968 4.527 -0.000 0.000 0.329 66 F C -2.015 174.017 175.800 0.388 0.000 1.076 66 F CA -2.981 55.242 58.000 0.371 0.000 1.018 66 F CB 0.468 39.708 39.000 0.400 0.000 1.201 66 F HN -0.376 nan 8.300 nan 0.000 0.489 67 P HA 0.002 nan 4.420 nan 0.000 0.267 67 P C -0.871 176.587 177.300 0.263 0.000 1.200 67 P CA -0.046 63.207 63.100 0.256 0.000 0.772 67 P CB 0.375 32.158 31.700 0.138 0.000 0.855 68 E N 1.073 121.309 120.200 0.059 0.000 2.442 68 E HA 0.197 4.547 4.350 -0.000 0.000 0.262 68 E C 1.248 177.697 176.600 -0.252 0.000 1.004 68 E CA 1.073 57.308 56.400 -0.276 0.000 0.928 68 E CB -0.249 29.335 29.700 -0.194 0.000 0.937 68 E HN 0.786 nan 8.360 nan 0.000 0.446 69 G N 2.681 111.229 108.800 -0.420 0.000 2.175 69 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 69 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 69 G C 0.446 175.249 174.900 -0.161 0.000 0.982 69 G CA 0.171 45.137 45.100 -0.224 0.000 0.641 69 G HN 0.535 nan 8.290 nan 0.000 0.527 70 T N 0.934 115.416 114.554 -0.121 0.000 2.940 70 T HA 0.418 4.767 4.350 -0.000 0.000 0.309 70 T C 0.528 174.998 174.700 -0.383 0.000 1.056 70 T CA 0.356 62.331 62.100 -0.207 0.000 1.137 70 T CB 2.060 70.818 68.868 -0.184 0.000 0.976 70 T HN 0.494 nan 8.240 nan 0.000 0.547 71 V N 4.310 123.939 119.914 -0.474 0.000 2.398 71 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 71 V C -0.502 175.191 176.094 -0.669 0.000 1.026 71 V CA -0.758 61.286 62.300 -0.426 0.000 0.868 71 V CB 0.815 32.514 31.823 -0.207 0.000 0.982 71 V HN 0.712 nan 8.190 nan 0.000 0.443 72 F N 3.398 123.158 119.950 -0.316 0.000 2.371 72 F HA 0.631 5.158 4.527 -0.000 0.000 0.363 72 F C 0.708 176.438 175.800 -0.117 0.000 1.122 72 F CA -0.509 57.273 58.000 -0.363 0.000 1.129 72 F CB 1.125 39.608 39.000 -0.861 0.000 1.173 72 F HN 0.514 nan 8.300 nan 0.000 0.489 73 A N 2.854 125.752 122.820 0.130 0.000 2.294 73 A HA 0.627 4.947 4.320 -0.000 0.000 0.316 73 A C -0.054 177.754 177.584 0.374 0.000 1.359 73 A CA -0.413 51.746 52.037 0.202 0.000 0.956 73 A CB -0.208 18.827 19.000 0.059 0.000 1.155 73 A HN 0.708 nan 8.150 nan 0.000 0.544 74 T N -0.514 114.239 114.554 0.331 0.000 2.890 74 T HA 0.678 5.028 4.350 -0.000 0.000 0.295 74 T C -0.632 174.228 174.700 0.266 0.000 0.993 74 T CA -0.498 61.786 62.100 0.305 0.000 0.979 74 T CB 1.484 70.537 68.868 0.310 0.000 0.967 74 T HN 0.801 nan 8.240 nan 0.000 0.441 75 T N 1.751 116.462 114.554 0.260 0.000 3.395 75 T HA 0.565 4.915 4.350 -0.000 0.000 0.330 75 T C -1.302 173.536 174.700 0.231 0.000 1.076 75 T CA -0.331 61.925 62.100 0.260 0.000 1.070 75 T CB 1.759 70.869 68.868 0.403 0.000 1.119 75 T HN 0.934 nan 8.240 nan 0.000 0.462 76 T N 4.323 118.985 114.554 0.180 0.000 2.812 76 T HA 0.593 4.943 4.350 -0.000 0.000 0.282 76 T C -1.433 173.416 174.700 0.249 0.000 0.990 76 T CA -0.368 61.861 62.100 0.216 0.000 0.960 76 T CB 0.875 69.832 68.868 0.149 0.000 0.948 76 T HN 0.669 nan 8.240 nan 0.000 0.438 77 Y N 6.791 127.257 120.300 0.277 0.000 2.495 77 Y HA 0.309 4.859 4.550 -0.000 0.000 0.362 77 Y C -1.534 174.491 175.900 0.209 0.000 0.956 77 Y CA -2.152 56.095 58.100 0.246 0.000 1.127 77 Y CB 1.514 40.138 38.460 0.273 0.000 1.173 77 Y HN 0.589 nan 8.280 nan 0.000 0.639 78 P HA -0.153 nan 4.420 nan 0.000 0.225 78 P C 0.907 178.241 177.300 0.057 0.000 1.148 78 P CA 1.166 64.331 63.100 0.110 0.000 0.779 78 P CB 0.335 31.995 31.700 -0.066 0.000 0.780 79 A N -0.484 122.442 122.820 0.176 0.000 2.370 79 A HA 0.130 4.450 4.320 -0.000 0.000 0.238 79 A C 1.011 178.635 177.584 0.067 0.000 1.289 79 A CA -0.030 52.083 52.037 0.127 0.000 0.885 79 A CB -1.236 17.860 19.000 0.159 0.000 0.961 79 A HN 0.166 nan 8.150 nan 0.000 0.499 80 T N -0.283 114.269 114.554 -0.003 0.000 2.923 80 T HA 0.322 4.672 4.350 -0.000 0.000 0.304 80 T C 1.500 175.704 174.700 -0.827 0.000 1.044 80 T CA 1.765 63.507 62.100 -0.598 0.000 1.141 80 T CB -0.039 68.652 68.868 -0.296 0.000 1.023 80 T HN 1.717 nan 8.240 nan 0.000 0.533 81 G N 3.157 110.914 108.800 -1.737 0.000 2.179 81 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 81 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 81 G C 0.404 175.142 174.900 -0.271 0.000 0.977 81 G CA 0.929 45.587 45.100 -0.737 0.000 0.641 81 G HN 1.379 nan 8.290 nan 0.000 0.533 82 T N -2.552 111.872 114.554 -0.218 0.000 2.849 82 T HA 0.554 4.903 4.350 -0.000 0.000 0.276 82 T C 1.848 176.636 174.700 0.147 0.000 0.971 82 T CA 1.096 63.199 62.100 0.005 0.000 0.949 82 T CB 1.030 69.910 68.868 0.020 0.000 1.093 82 T HN 0.909 nan 8.240 nan 0.000 0.545 83 T N -2.241 112.386 114.554 0.121 0.000 3.113 83 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 83 T C 1.116 175.912 174.700 0.161 0.000 1.143 83 T CA 0.657 62.836 62.100 0.131 0.000 1.090 83 T CB -0.846 68.072 68.868 0.084 0.000 0.922 83 T HN 0.760 nan 8.240 nan 0.000 0.521 84 T N 2.357 117.032 114.554 0.200 0.000 2.937 84 T HA 0.227 4.577 4.350 -0.000 0.000 0.316 84 T C -0.080 174.780 174.700 0.266 0.000 1.079 84 T CA -0.176 62.060 62.100 0.225 0.000 1.131 84 T CB 0.112 69.137 68.868 0.263 0.000 1.000 84 T HN 0.239 nan 8.240 nan 0.000 0.549 85 R N 2.733 123.352 120.500 0.198 0.000 2.795 85 R HA 0.457 4.797 4.340 -0.000 0.000 0.275 85 R C -0.088 176.321 176.300 0.181 0.000 0.981 85 R CA -0.730 55.466 56.100 0.161 0.000 0.917 85 R CB 1.842 32.189 30.300 0.078 0.000 1.202 85 R HN 0.664 nan 8.270 nan 0.000 0.469 86 S N 0.166 115.982 115.700 0.194 0.000 2.589 86 S HA 0.176 4.646 4.470 -0.000 0.000 0.265 86 S C -0.125 174.533 174.600 0.098 0.000 1.342 86 S CA -0.545 57.759 58.200 0.173 0.000 1.005 86 S CB 0.996 64.318 63.200 0.204 0.000 0.909 86 S HN 0.368 nan 8.310 nan 0.000 0.555 87 V N 0.834 120.790 119.914 0.071 0.000 2.513 87 V HA 0.803 4.923 4.120 -0.000 0.000 0.299 87 V C -0.490 175.654 176.094 0.083 0.000 1.035 87 V CA -0.631 61.700 62.300 0.051 0.000 0.889 87 V CB 1.160 32.973 31.823 -0.017 0.000 0.988 87 V HN 0.961 nan 8.190 nan 0.000 0.440 88 A N 6.389 129.279 122.820 0.118 0.000 2.318 88 A HA 0.844 5.164 4.320 -0.000 0.000 0.317 88 A C -0.704 176.983 177.584 0.171 0.000 1.159 88 A CA -0.205 51.928 52.037 0.159 0.000 0.799 88 A CB 1.509 20.615 19.000 0.176 0.000 1.194 88 A HN 1.885 nan 8.150 nan 0.000 0.479 89 V N 0.206 120.216 119.914 0.161 0.000 2.735 89 V HA 0.779 4.899 4.120 -0.000 0.000 0.310 89 V C -0.374 175.862 176.094 0.236 0.000 1.061 89 V CA -1.046 61.332 62.300 0.131 0.000 0.913 89 V CB 1.658 33.448 31.823 -0.055 0.000 1.005 89 V HN 0.938 nan 8.190 nan 0.000 0.428 90 R N 3.670 124.324 120.500 0.256 0.000 2.229 90 R HA 0.682 5.022 4.340 -0.000 0.000 0.328 90 R C 0.057 176.534 176.300 0.295 0.000 1.009 90 R CA -0.610 55.652 56.100 0.270 0.000 0.864 90 R CB 1.054 31.490 30.300 0.227 0.000 1.085 90 R HN 0.968 nan 8.270 nan 0.000 0.453 91 I N 0.695 121.460 120.570 0.325 0.000 2.886 91 I HA 0.242 4.412 4.170 -0.000 0.000 0.299 91 I C 0.732 177.013 176.117 0.275 0.000 1.044 91 I CA -0.547 60.939 61.300 0.310 0.000 1.310 91 I CB 1.299 39.472 38.000 0.288 0.000 1.441 91 I HN 0.635 nan 8.210 nan 0.000 0.578 92 K N 1.178 121.727 120.400 0.249 0.000 2.118 92 K HA 0.142 4.462 4.320 -0.000 0.000 0.214 92 K C 0.275 177.020 176.600 0.242 0.000 1.023 92 K CA 0.166 56.574 56.287 0.201 0.000 0.948 92 K CB 0.157 32.737 32.500 0.132 0.000 0.851 92 K HN 0.692 nan 8.250 nan 0.000 0.455 93 Q N 0.358 120.312 119.800 0.255 0.000 2.256 93 Q HA 0.222 4.562 4.340 -0.000 0.000 0.254 93 Q C 0.317 176.561 176.000 0.406 0.000 0.916 93 Q CA 0.002 55.975 55.803 0.284 0.000 0.932 93 Q CB 1.777 30.627 28.738 0.188 0.000 1.207 93 Q HN 0.422 nan 8.270 nan 0.000 0.426 94 A N 2.350 125.415 122.820 0.409 0.000 1.970 94 A HA 0.191 4.511 4.320 -0.000 0.000 0.216 94 A C 0.951 178.719 177.584 0.306 0.000 1.170 94 A CA 1.072 53.325 52.037 0.361 0.000 0.645 94 A CB 0.066 19.368 19.000 0.504 0.000 0.816 94 A HN 0.722 nan 8.150 nan 0.000 0.447 95 A N -0.524 122.351 122.820 0.091 0.000 2.304 95 A HA 0.525 4.845 4.320 -0.000 0.000 0.301 95 A C 0.752 178.244 177.584 -0.154 0.000 1.132 95 A CA -0.105 51.803 52.037 -0.216 0.000 0.819 95 A CB 0.535 19.055 19.000 -0.800 0.000 1.094 95 A HN 0.179 nan 8.150 nan 0.000 0.492 96 K N 1.538 121.815 120.400 -0.205 0.000 2.589 96 K HA 0.094 4.414 4.320 -0.000 0.000 0.192 96 K C 0.722 177.197 176.600 -0.208 0.000 1.029 96 K CA 1.104 57.248 56.287 -0.238 0.000 1.031 96 K CB -0.498 31.887 32.500 -0.191 0.000 0.821 96 K HN 0.744 nan 8.250 nan 0.000 0.502 97 G N -1.881 106.768 108.800 -0.252 0.000 2.828 97 G HA2 0.590 4.550 3.960 -0.000 0.000 0.244 97 G HA3 0.590 4.550 3.960 -0.000 0.000 0.244 97 G C 0.014 174.808 174.900 -0.176 0.000 1.365 97 G CA -0.549 44.412 45.100 -0.231 0.000 1.041 97 G HN 0.295 nan 8.290 nan 0.000 0.560 98 G N -1.142 107.581 108.800 -0.130 0.000 3.420 98 G HA2 0.568 4.528 3.960 -0.000 0.000 0.183 98 G HA3 0.568 4.528 3.960 -0.000 0.000 0.183 98 G C 0.034 174.943 174.900 0.015 0.000 1.315 98 G CA 0.491 45.569 45.100 -0.037 0.000 0.958 98 G HN 1.304 nan 8.290 nan 0.000 0.745 99 A N -0.021 122.819 122.820 0.032 0.000 2.492 99 A HA 0.577 4.896 4.320 -0.000 0.000 0.254 99 A C 1.292 178.896 177.584 0.033 0.000 1.091 99 A CA 1.345 53.417 52.037 0.059 0.000 0.768 99 A CB -0.195 18.831 19.000 0.044 0.000 1.028 99 A HN 0.827 nan 8.150 nan 0.000 0.498 100 R N 1.125 121.670 120.500 0.076 0.000 3.011 100 R HA -0.249 4.091 4.340 -0.000 0.000 0.314 100 R C 1.635 177.917 176.300 -0.030 0.000 0.573 100 R CA 1.561 57.689 56.100 0.048 0.000 1.550 100 R CB -1.906 28.391 30.300 -0.005 0.000 1.554 100 R HN 2.297 nan 8.270 nan 0.000 0.423 101 G N 0.573 109.259 108.800 -0.190 0.000 2.934 101 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.231 101 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.231 101 G C 0.167 174.527 174.900 -0.899 0.000 1.235 101 G CA 1.329 45.993 45.100 -0.728 0.000 0.812 101 G HN 0.476 nan 8.290 nan 0.000 0.521 102 Q N -1.311 118.143 119.800 -0.578 0.000 2.451 102 Q HA -0.145 4.195 4.340 -0.000 0.000 0.334 102 Q C -0.554 175.207 176.000 -0.399 0.000 1.462 102 Q CA 0.849 56.438 55.803 -0.358 0.000 0.876 102 Q CB -1.399 27.190 28.738 -0.249 0.000 1.125 102 Q HN 0.712 nan 8.270 nan 0.000 0.358 103 W N 0.319 121.577 121.300 -0.070 0.000 2.381 103 W HA 0.634 5.294 4.660 -0.000 0.000 0.329 103 W C 0.700 177.115 176.519 -0.173 0.000 1.157 103 W CA -0.268 57.013 57.345 -0.107 0.000 1.240 103 W CB 0.813 30.236 29.460 -0.062 0.000 1.199 103 W HN 0.492 nan 8.180 nan 0.000 0.579 104 A N 2.036 124.854 122.820 -0.003 0.000 2.302 104 A HA 0.887 5.207 4.320 -0.000 0.000 0.285 104 A C 0.446 177.877 177.584 -0.255 0.000 1.105 104 A CA 0.428 52.391 52.037 -0.125 0.000 0.816 104 A CB 0.285 19.061 19.000 -0.373 0.000 1.067 104 A HN 1.388 nan 8.150 nan 0.000 0.489 105 G N -0.331 108.311 108.800 -0.263 0.000 2.384 105 G HA2 0.387 4.347 3.960 -0.000 0.000 0.668 105 G HA3 0.387 4.347 3.960 -0.000 0.000 0.668 105 G C -0.080 174.543 174.900 -0.462 0.000 1.280 105 G CA -0.173 44.566 45.100 -0.602 0.000 0.992 105 G HN 1.996 nan 8.290 nan 0.000 0.512 106 S N -0.045 115.410 115.700 -0.407 0.000 2.608 106 S HA 0.701 5.171 4.470 -0.000 0.000 0.261 106 S C 1.766 176.269 174.600 -0.161 0.000 1.314 106 S CA 0.948 59.063 58.200 -0.142 0.000 0.992 106 S CB 0.972 64.193 63.200 0.034 0.000 0.935 106 S HN 2.858 nan 8.310 nan 0.000 0.564 107 G N 1.297 110.064 108.800 -0.054 0.000 2.611 107 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.301 107 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.301 107 G C 0.825 175.696 174.900 -0.048 0.000 1.233 107 G CA 0.682 45.766 45.100 -0.028 0.000 0.993 107 G HN 1.937 nan 8.290 nan 0.000 0.553 108 A N 0.844 123.647 122.820 -0.029 0.000 2.302 108 A HA 0.632 4.952 4.320 -0.000 0.000 0.219 108 A C 1.962 179.537 177.584 -0.015 0.000 1.243 108 A CA 1.624 53.660 52.037 -0.002 0.000 0.856 108 A CB -1.025 17.995 19.000 0.034 0.000 0.893 108 A HN 2.883 nan 8.150 nan 0.000 0.491 109 G N -1.287 107.410 108.800 -0.173 0.000 2.757 109 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.638 109 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.638 109 G C -0.659 174.066 174.900 -0.293 0.000 1.344 109 G CA -0.509 44.393 45.100 -0.331 0.000 0.855 109 G HN 0.494 nan 8.290 nan 0.000 0.537 110 F N 1.421 121.399 119.950 0.047 0.000 2.361 110 F HA 0.453 4.980 4.527 -0.000 0.000 0.364 110 F C 0.908 176.522 175.800 -0.310 0.000 1.117 110 F CA -1.180 56.769 58.000 -0.085 0.000 1.071 110 F CB 1.354 40.344 39.000 -0.018 0.000 1.188 110 F HN 0.437 nan 8.300 nan 0.000 0.464 111 E N 3.858 123.732 120.200 -0.544 0.000 2.384 111 E HA 0.200 4.549 4.350 -0.000 0.000 0.266 111 E C -0.092 176.070 176.600 -0.731 0.000 1.012 111 E CA -0.296 55.241 56.400 -1.437 0.000 0.901 111 E CB 0.869 29.881 29.700 -1.147 0.000 0.967 111 E HN 0.339 nan 8.360 nan 0.000 0.435 112 R N 1.140 121.202 120.500 -0.730 0.000 2.445 112 R HA 0.410 4.750 4.340 -0.000 0.000 0.308 112 R C -0.298 176.024 176.300 0.036 0.000 0.961 112 R CA -0.820 55.258 56.100 -0.037 0.000 0.862 112 R CB 1.432 31.972 30.300 0.400 0.000 1.144 112 R HN 0.534 nan 8.270 nan 0.000 0.447 113 A N 2.767 125.602 122.820 0.025 0.000 2.507 113 A HA 0.034 4.354 4.320 -0.000 0.000 0.235 113 A C 0.228 177.898 177.584 0.142 0.000 1.070 113 A CA 0.025 52.094 52.037 0.053 0.000 0.768 113 A CB 0.076 19.079 19.000 0.006 0.000 1.011 113 A HN 0.686 nan 8.150 nan 0.000 0.502 114 E N 0.017 120.304 120.200 0.144 0.000 2.408 114 E HA 0.356 4.706 4.350 -0.000 0.000 0.259 114 E C 1.140 177.818 176.600 0.131 0.000 1.110 114 E CA 0.821 57.323 56.400 0.170 0.000 0.929 114 E CB 0.266 30.051 29.700 0.141 0.000 0.971 114 E HN 1.330 nan 8.360 nan 0.000 0.438 115 G N 1.633 110.530 108.800 0.162 0.000 2.249 115 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.273 115 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.273 115 G C 0.581 175.528 174.900 0.078 0.000 1.036 115 G CA 0.636 45.818 45.100 0.136 0.000 0.824 115 G HN 0.394 nan 8.290 nan 0.000 0.504 116 S N -1.237 114.489 115.700 0.043 0.000 2.540 116 S HA 0.436 4.906 4.470 -0.000 0.000 0.218 116 S C -0.068 174.172 174.600 -0.600 0.000 0.977 116 S CA 0.127 58.153 58.200 -0.291 0.000 0.918 116 S CB 0.250 63.175 63.200 -0.458 0.000 0.806 116 S HN 0.531 nan 8.310 nan 0.000 0.496 117 Y N -0.080 120.308 120.300 0.147 0.000 2.504 117 Y HA 0.566 5.115 4.550 -0.000 0.000 0.344 117 Y C -0.472 175.540 175.900 0.186 0.000 1.023 117 Y CA -1.038 57.157 58.100 0.159 0.000 1.020 117 Y CB 1.151 39.784 38.460 0.288 0.000 1.282 117 Y HN -0.085 nan 8.280 nan 0.000 0.454 118 I N 2.880 123.607 120.570 0.262 0.000 2.474 118 I HA 0.379 4.549 4.170 -0.000 0.000 0.294 118 I C -1.272 174.980 176.117 0.226 0.000 1.005 118 I CA -0.855 60.589 61.300 0.240 0.000 1.113 118 I CB 1.617 39.697 38.000 0.132 0.000 1.289 118 I HN 0.547 nan 8.210 nan 0.000 0.436 119 Y N 6.027 126.458 120.300 0.218 0.000 2.409 119 Y HA 0.629 5.179 4.550 -0.000 0.000 0.339 119 Y C -0.226 175.755 175.900 0.134 0.000 1.033 119 Y CA -0.668 57.554 58.100 0.204 0.000 1.094 119 Y CB 2.194 40.742 38.460 0.147 0.000 1.210 119 Y HN 0.379 nan 8.280 nan 0.000 0.456 120 I N 2.642 123.374 120.570 0.270 0.000 2.533 120 I HA 0.881 5.051 4.170 -0.000 0.000 0.290 120 I C -1.417 174.821 176.117 0.200 0.000 1.056 120 I CA -0.370 61.046 61.300 0.192 0.000 1.057 120 I CB 1.107 39.185 38.000 0.130 0.000 1.240 120 I HN 0.712 nan 8.210 nan 0.000 0.423 121 A N 7.664 130.580 122.820 0.159 0.000 2.608 121 A HA 0.791 5.111 4.320 -0.000 0.000 0.292 121 A C -3.028 174.577 177.584 0.034 0.000 1.066 121 A CA -1.204 50.907 52.037 0.124 0.000 0.676 121 A CB 1.561 20.625 19.000 0.107 0.000 1.277 121 A HN 0.421 nan 8.150 nan 0.000 0.413 122 P HA 0.028 nan 4.420 nan 0.000 0.267 122 P C -0.558 176.638 177.300 -0.174 0.000 1.200 122 P CA 0.040 62.866 63.100 -0.457 0.000 0.772 122 P CB 0.410 31.418 31.700 -1.153 0.000 0.855 123 N N 2.728 121.377 118.700 -0.087 0.000 3.178 123 N HA -0.023 4.717 4.740 -0.000 0.000 0.300 123 N C 0.182 175.667 175.510 -0.042 0.000 1.242 123 N CA -0.138 52.885 53.050 -0.045 0.000 1.192 123 N CB -1.234 37.249 38.487 -0.007 0.000 1.463 123 N HN 0.288 nan 8.380 nan 0.000 0.539 124 N N 0.175 118.842 118.700 -0.055 0.000 2.194 124 N HA 0.198 4.938 4.740 -0.000 0.000 0.231 124 N C 0.919 176.455 175.510 0.043 0.000 1.247 124 N CA 0.150 53.193 53.050 -0.012 0.000 0.884 124 N CB 0.212 38.678 38.487 -0.034 0.000 1.146 124 N HN 0.213 nan 8.380 nan 0.000 0.516 125 G N 0.451 109.264 108.800 0.021 0.000 2.194 125 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.236 125 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.236 125 G C 0.683 175.655 174.900 0.119 0.000 0.987 125 G CA 0.277 45.405 45.100 0.048 0.000 0.635 125 G HN 0.310 nan 8.290 nan 0.000 0.520 126 L N 0.749 122.039 121.223 0.112 0.000 2.089 126 L HA 0.112 4.452 4.340 -0.000 0.000 0.213 126 L C 2.289 179.200 176.870 0.069 0.000 1.079 126 L CA 2.403 57.324 54.840 0.135 0.000 0.758 126 L CB -0.275 41.828 42.059 0.075 0.000 0.891 126 L HN 0.454 nan 8.230 nan 0.000 0.433 127 L N -1.415 119.779 121.223 -0.049 0.000 2.627 127 L HA 0.006 4.346 4.340 -0.000 0.000 0.232 127 L C 1.863 178.595 176.870 -0.229 0.000 1.150 127 L CA 0.073 54.819 54.840 -0.156 0.000 0.917 127 L CB -0.775 41.170 42.059 -0.190 0.000 1.104 127 L HN 0.190 nan 8.230 nan 0.000 0.445 128 T N -0.349 114.013 114.554 -0.319 0.000 2.652 128 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 128 T C 2.020 176.500 174.700 -0.366 0.000 1.039 128 T CA 2.333 64.116 62.100 -0.529 0.000 1.153 128 T CB -0.168 67.913 68.868 -1.311 0.000 0.863 128 T HN 0.556 nan 8.240 nan 0.000 0.428 129 T N 0.042 114.442 114.554 -0.256 0.000 3.043 129 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 129 T C 2.031 176.675 174.700 -0.094 0.000 1.094 129 T CA 0.401 62.430 62.100 -0.119 0.000 1.127 129 T CB -0.627 68.249 68.868 0.014 0.000 0.905 129 T HN 0.175 nan 8.240 nan 0.000 0.490 130 V N 1.773 121.614 119.914 -0.122 0.000 2.295 130 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 130 V C 2.714 178.784 176.094 -0.039 0.000 1.049 130 V CA 1.553 63.788 62.300 -0.109 0.000 1.024 130 V CB -0.677 30.826 31.823 -0.534 0.000 0.648 130 V HN 0.470 nan 8.190 nan 0.000 0.447 131 L N -0.447 120.709 121.223 -0.113 0.000 2.109 131 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 131 L C 2.548 179.423 176.870 0.008 0.000 1.086 131 L CA 1.688 56.514 54.840 -0.023 0.000 0.760 131 L CB -0.546 41.463 42.059 -0.082 0.000 0.910 131 L HN 0.407 nan 8.230 nan 0.000 0.437 132 E N 0.474 120.635 120.200 -0.065 0.000 2.047 132 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 132 E C 2.018 178.561 176.600 -0.096 0.000 0.987 132 E CA 1.205 57.561 56.400 -0.073 0.000 0.799 132 E CB 0.161 29.800 29.700 -0.102 0.000 0.752 132 E HN 0.462 nan 8.360 nan 0.000 0.449 133 E N -0.945 119.162 120.200 -0.156 0.000 2.158 133 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 133 E C 1.831 178.207 176.600 -0.373 0.000 0.982 133 E CA 0.706 56.926 56.400 -0.300 0.000 0.823 133 E CB 0.134 29.580 29.700 -0.422 0.000 0.766 133 E HN 0.439 nan 8.360 nan 0.000 0.468 134 H N -0.968 118.095 119.070 -0.012 0.000 2.729 134 H HA 0.207 4.763 4.556 -0.000 0.000 0.263 134 H C 1.104 176.469 175.328 0.062 0.000 0.961 134 H CA 0.774 56.840 56.048 0.031 0.000 1.217 134 H CB 1.036 30.831 29.762 0.055 0.000 1.447 134 H HN 0.162 nan 8.280 nan 0.000 0.496 135 G N 1.187 110.084 108.800 0.161 0.000 2.860 135 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.553 135 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.553 135 G C -0.773 174.289 174.900 0.270 0.000 1.439 135 G CA -0.040 45.152 45.100 0.154 0.000 0.879 135 G HN 0.564 nan 8.290 nan 0.000 0.545 136 Y N -2.841 117.488 120.300 0.048 0.000 2.597 136 Y HA 0.761 5.311 4.550 -0.000 0.000 0.340 136 Y C 0.556 176.482 175.900 0.043 0.000 1.097 136 Y CA -1.278 56.856 58.100 0.057 0.000 1.037 136 Y CB 0.960 39.441 38.460 0.035 0.000 1.305 136 Y HN 0.459 nan 8.280 nan 0.000 0.463 137 L N 0.714 122.016 121.223 0.133 0.000 2.425 137 L HA 0.316 4.656 4.340 -0.000 0.000 0.215 137 L C -0.234 176.675 176.870 0.065 0.000 1.065 137 L CA 0.458 55.318 54.840 0.033 0.000 0.842 137 L CB 0.358 42.470 42.059 0.089 0.000 1.033 137 L HN 0.848 nan 8.230 nan 0.000 0.474 138 E N -0.544 119.788 120.200 0.221 0.000 2.390 138 E HA 0.725 5.075 4.350 -0.000 0.000 0.280 138 E C -1.391 175.252 176.600 0.072 0.000 0.992 138 E CA -0.991 55.468 56.400 0.098 0.000 0.790 138 E CB 2.330 32.093 29.700 0.104 0.000 1.248 138 E HN -0.076 nan 8.360 nan 0.000 0.447 139 A N 1.694 124.341 122.820 -0.289 0.000 2.455 139 A HA 0.704 5.024 4.320 -0.000 0.000 0.300 139 A C -1.993 175.235 177.584 -0.593 0.000 1.040 139 A CA -0.638 51.221 52.037 -0.298 0.000 0.697 139 A CB 0.970 19.814 19.000 -0.260 0.000 1.265 139 A HN 0.533 nan 8.150 nan 0.000 0.407 140 Y N 0.027 120.350 120.300 0.038 0.000 2.524 140 Y HA 0.513 5.063 4.550 -0.000 0.000 0.347 140 Y C 0.234 176.148 175.900 0.025 0.000 1.005 140 Y CA -0.662 57.461 58.100 0.038 0.000 1.025 140 Y CB 1.850 40.344 38.460 0.057 0.000 1.275 140 Y HN 0.793 nan 8.280 nan 0.000 0.460 141 E N 1.369 121.675 120.200 0.176 0.000 2.338 141 E HA 0.363 4.712 4.350 -0.000 0.000 0.272 141 E C -1.230 175.437 176.600 0.111 0.000 1.029 141 E CA -0.370 56.095 56.400 0.109 0.000 0.872 141 E CB 0.879 30.625 29.700 0.077 0.000 1.015 141 E HN 0.470 nan 8.360 nan 0.000 0.417 142 V N 5.414 125.375 119.914 0.078 0.000 2.322 142 V HA 0.103 4.223 4.120 -0.000 0.000 0.258 142 V C 0.928 177.020 176.094 -0.003 0.000 1.074 142 V CA 0.366 62.689 62.300 0.038 0.000 0.909 142 V CB 0.407 32.249 31.823 0.031 0.000 1.090 142 V HN 0.926 nan 8.190 nan 0.000 0.486 143 T N -0.739 113.808 114.554 -0.012 0.000 2.993 143 T HA 0.117 4.467 4.350 -0.000 0.000 0.260 143 T C 0.890 175.559 174.700 -0.051 0.000 0.939 143 T CA 0.315 62.399 62.100 -0.027 0.000 0.886 143 T CB 0.380 69.250 68.868 0.004 0.000 1.209 143 T HN 0.462 nan 8.240 nan 0.000 0.518 144 S N 3.883 119.547 115.700 -0.061 0.000 2.533 144 S HA 0.242 4.712 4.470 -0.000 0.000 0.282 144 S C -1.298 173.218 174.600 -0.139 0.000 1.304 144 S CA -1.205 56.951 58.200 -0.074 0.000 1.063 144 S CB 0.934 64.108 63.200 -0.043 0.000 0.881 144 S HN 0.173 nan 8.310 nan 0.000 0.493 145 P HA -0.022 nan 4.420 nan 0.000 0.239 145 P C 0.426 177.617 177.300 -0.183 0.000 1.184 145 P CA 0.703 63.728 63.100 -0.125 0.000 0.760 145 P CB 0.055 31.710 31.700 -0.074 0.000 0.884 146 K N 0.047 120.312 120.400 -0.224 0.000 2.288 146 K HA 0.003 4.322 4.320 -0.000 0.000 0.201 146 K C 1.679 177.799 176.600 -0.800 0.000 1.048 146 K CA 1.382 57.461 56.287 -0.347 0.000 0.956 146 K CB -0.022 32.387 32.500 -0.152 0.000 0.746 146 K HN 0.196 nan 8.250 nan 0.000 0.461 147 V N -2.010 117.464 119.914 -0.734 0.000 3.485 147 V HA 0.291 4.411 4.120 -0.000 0.000 0.280 147 V C 0.356 176.228 176.094 -0.370 0.000 1.495 147 V CA -0.592 61.200 62.300 -0.846 0.000 1.018 147 V CB -0.310 31.017 31.823 -0.827 0.000 0.818 147 V HN 0.148 nan 8.190 nan 0.000 0.436 148 I N -2.745 117.662 120.570 -0.273 0.000 3.002 148 I HA 0.827 4.997 4.170 -0.000 0.000 0.310 148 I C -3.023 173.004 176.117 -0.150 0.000 1.087 148 I CA -2.791 58.398 61.300 -0.185 0.000 1.017 148 I CB 1.821 39.709 38.000 -0.186 0.000 1.226 148 I HN -0.196 nan 8.210 nan 0.000 0.443 149 P HA 0.188 nan 4.420 nan 0.000 0.271 149 P C -0.238 177.013 177.300 -0.082 0.000 1.218 149 P CA -0.062 62.983 63.100 -0.091 0.000 0.780 149 P CB 0.656 32.308 31.700 -0.079 0.000 0.901 150 E N 0.724 120.889 120.200 -0.058 0.000 2.204 150 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 150 E C 0.277 176.862 176.600 -0.026 0.000 0.989 150 E CA 0.946 57.321 56.400 -0.042 0.000 0.824 150 E CB 0.076 29.758 29.700 -0.030 0.000 0.756 150 E HN 0.496 nan 8.360 nan 0.000 0.477 151 Q N 1.064 120.851 119.800 -0.021 0.000 2.907 151 Q HA 0.239 4.579 4.340 -0.000 0.000 0.262 151 Q C -2.485 173.519 176.000 0.006 0.000 0.997 151 Q CA -1.501 54.301 55.803 -0.001 0.000 0.797 151 Q CB 1.338 30.079 28.738 0.006 0.000 1.228 151 Q HN 0.105 nan 8.270 nan 0.000 0.466 152 P HA 0.075 nan 4.420 nan 0.000 0.275 152 P C -0.101 177.265 177.300 0.109 0.000 1.227 152 P CA -0.304 62.802 63.100 0.011 0.000 0.781 152 P CB 0.863 32.510 31.700 -0.089 0.000 0.906 153 E N 4.983 125.256 120.200 0.121 0.000 2.406 153 E HA 0.015 4.365 4.350 -0.000 0.000 0.258 153 E C -1.414 175.314 176.600 0.214 0.000 1.043 153 E CA -1.609 54.885 56.400 0.156 0.000 0.929 153 E CB 0.102 29.912 29.700 0.184 0.000 0.969 153 E HN 0.272 nan 8.360 nan 0.000 0.462 154 P HA -0.180 nan 4.420 nan 0.000 0.216 154 P C 0.678 177.940 177.300 -0.064 0.000 1.150 154 P CA 1.591 64.715 63.100 0.039 0.000 0.843 154 P CB -0.025 31.676 31.700 0.002 0.000 0.787 155 T N -6.058 108.511 114.554 0.025 0.000 3.163 155 T HA 0.167 4.517 4.350 -0.000 0.000 0.252 155 T C 0.250 175.020 174.700 0.115 0.000 1.056 155 T CA -0.222 61.881 62.100 0.005 0.000 0.947 155 T CB -0.701 68.157 68.868 -0.015 0.000 1.016 155 T HN -0.155 nan 8.240 nan 0.000 0.554 156 F N 1.405 121.385 119.950 0.050 0.000 2.619 156 F HA 0.448 4.975 4.527 -0.000 0.000 0.382 156 F C -0.104 175.780 175.800 0.140 0.000 1.466 156 F CA -2.731 55.324 58.000 0.091 0.000 1.137 156 F CB -0.020 39.027 39.000 0.079 0.000 1.205 156 F HN 0.014 nan 8.300 nan 0.000 0.525 157 Y N -0.239 120.070 120.300 0.014 0.000 2.421 157 Y HA -0.131 4.419 4.550 -0.000 0.000 0.292 157 Y C 2.492 178.257 175.900 -0.225 0.000 1.136 157 Y CA 1.079 58.969 58.100 -0.350 0.000 1.255 157 Y CB -0.833 37.017 38.460 -1.018 0.000 0.991 157 Y HN 0.112 nan 8.280 nan 0.000 0.552 158 S N -0.471 115.400 115.700 0.285 0.000 2.400 158 S HA -0.215 4.255 4.470 -0.000 0.000 0.232 158 S C 2.193 176.877 174.600 0.139 0.000 1.025 158 S CA 1.401 59.840 58.200 0.399 0.000 0.993 158 S CB -0.107 63.429 63.200 0.560 0.000 0.808 158 S HN 0.457 nan 8.310 nan 0.000 0.478 159 R N 0.918 121.283 120.500 -0.225 0.000 2.055 159 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 159 R C 1.976 178.102 176.300 -0.290 0.000 1.135 159 R CA 1.118 56.911 56.100 -0.511 0.000 0.959 159 R CB -0.080 29.435 30.300 -1.308 0.000 0.854 159 R HN 0.252 nan 8.270 nan 0.000 0.431 160 E N 0.222 120.275 120.200 -0.244 0.000 2.072 160 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 160 E C 1.636 178.103 176.600 -0.223 0.000 0.985 160 E CA 1.052 57.321 56.400 -0.218 0.000 0.801 160 E CB 0.094 29.666 29.700 -0.215 0.000 0.750 160 E HN 0.375 nan 8.360 nan 0.000 0.452 161 M N -0.077 119.389 119.600 -0.224 0.000 2.333 161 M HA 0.154 4.634 4.480 -0.000 0.000 0.257 161 M C 1.351 177.673 176.300 0.037 0.000 1.078 161 M CA 0.042 55.244 55.300 -0.164 0.000 1.005 161 M CB 0.932 33.357 32.600 -0.291 0.000 1.444 161 M HN -0.103 nan 8.290 nan 0.000 0.496 162 V N -1.066 118.876 119.914 0.046 0.000 3.889 162 V HA 0.287 4.407 4.120 -0.000 0.000 0.184 162 V C 2.200 178.279 176.094 -0.025 0.000 1.311 162 V CA 0.957 63.317 62.300 0.100 0.000 1.277 162 V CB -0.714 31.264 31.823 0.259 0.000 1.364 162 V HN 0.261 nan 8.190 nan 0.000 0.567 163 A N 0.617 123.379 122.820 -0.097 0.000 1.859 163 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 163 A C 2.090 179.534 177.584 -0.233 0.000 1.198 163 A CA 2.489 54.357 52.037 -0.281 0.000 0.629 163 A CB -0.702 18.091 19.000 -0.345 0.000 0.830 163 A HN 0.490 nan 8.150 nan 0.000 0.446 164 I N 0.411 120.874 120.570 -0.178 0.000 2.099 164 I HA -0.180 3.990 4.170 -0.000 0.000 0.239 164 I C -0.345 175.744 176.117 -0.046 0.000 1.066 164 I CA 1.871 63.095 61.300 -0.127 0.000 1.324 164 I CB -1.111 36.828 38.000 -0.102 0.000 1.037 164 I HN 0.290 nan 8.210 nan 0.000 0.401 165 P HA -0.144 nan 4.420 nan 0.000 0.220 165 P C 1.700 178.982 177.300 -0.030 0.000 1.148 165 P CA 1.894 64.977 63.100 -0.029 0.000 0.803 165 P CB -0.187 31.468 31.700 -0.075 0.000 0.782 166 S N 0.397 116.056 115.700 -0.067 0.000 2.382 166 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 166 S C 2.238 176.764 174.600 -0.122 0.000 1.027 166 S CA 1.241 59.390 58.200 -0.085 0.000 0.991 166 S CB -1.385 61.741 63.200 -0.123 0.000 0.823 166 S HN 0.148 nan 8.310 nan 0.000 0.469 167 A N 1.796 124.509 122.820 -0.179 0.000 1.930 167 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 167 A C 2.159 179.613 177.584 -0.216 0.000 1.175 167 A CA 1.271 53.167 52.037 -0.235 0.000 0.627 167 A CB -1.036 17.774 19.000 -0.316 0.000 0.815 167 A HN 0.712 nan 8.150 nan 0.000 0.443 168 H N -0.166 118.823 119.070 -0.135 0.000 2.353 168 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 168 H C 2.083 177.412 175.328 0.003 0.000 1.090 168 H CA 1.728 57.713 56.048 -0.105 0.000 1.327 168 H CB -0.253 29.335 29.762 -0.291 0.000 1.383 168 H HN 0.415 nan 8.280 nan 0.000 0.508 169 L N 0.238 121.519 121.223 0.098 0.000 2.046 169 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 169 L C 2.953 179.843 176.870 0.033 0.000 1.077 169 L CA 0.974 55.871 54.840 0.095 0.000 0.747 169 L CB -0.497 41.598 42.059 0.060 0.000 0.896 169 L HN 0.200 nan 8.230 nan 0.000 0.432 170 A N 0.017 122.818 122.820 -0.031 0.000 1.940 170 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 170 A C 2.385 179.947 177.584 -0.037 0.000 1.176 170 A CA 1.709 53.709 52.037 -0.063 0.000 0.631 170 A CB -0.661 18.269 19.000 -0.115 0.000 0.814 170 A HN 0.409 nan 8.150 nan 0.000 0.446 171 A N -2.057 120.750 122.820 -0.022 0.000 2.206 171 A HA 0.392 4.711 4.320 -0.000 0.000 0.211 171 A C 1.751 179.358 177.584 0.039 0.000 1.158 171 A CA 1.327 53.363 52.037 -0.002 0.000 0.761 171 A CB -0.812 18.178 19.000 -0.017 0.000 0.801 171 A HN 1.901 nan 8.150 nan 0.000 0.473 172 G N -2.136 106.699 108.800 0.059 0.000 2.163 172 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.213 172 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.213 172 G C 0.040 174.985 174.900 0.075 0.000 0.991 172 G CA -0.102 45.025 45.100 0.046 0.000 0.653 172 G HN 0.629 nan 8.290 nan 0.000 0.518 173 F N 2.799 122.751 119.950 0.003 0.000 2.578 173 F HA 0.485 5.011 4.527 -0.000 0.000 0.381 173 F C -1.431 174.350 175.800 -0.033 0.000 1.069 173 F CA -1.425 56.574 58.000 -0.003 0.000 1.231 173 F CB 0.667 39.683 39.000 0.028 0.000 1.086 173 F HN -0.013 nan 8.300 nan 0.000 0.564 174 P HA -0.061 nan 4.420 nan 0.000 0.263 174 P C 0.562 177.782 177.300 -0.132 0.000 1.195 174 P CA 0.009 62.948 63.100 -0.267 0.000 0.762 174 P CB 0.735 32.207 31.700 -0.381 0.000 0.799 175 L N 4.651 125.846 121.223 -0.046 0.000 2.043 175 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 175 L C 2.011 178.649 176.870 -0.387 0.000 1.075 175 L CA 2.619 57.432 54.840 -0.045 0.000 0.752 175 L CB -1.317 40.779 42.059 0.061 0.000 0.891 175 L HN 0.407 nan 8.230 nan 0.000 0.432 176 S N -1.842 113.529 115.700 -0.548 0.000 2.507 176 S HA -0.125 4.344 4.470 -0.000 0.000 0.235 176 S C 1.530 175.784 174.600 -0.577 0.000 0.988 176 S CA 1.059 58.652 58.200 -1.011 0.000 0.944 176 S CB -0.634 62.312 63.200 -0.424 0.000 0.762 176 S HN 0.699 nan 8.310 nan 0.000 0.526 177 E N 0.888 120.906 120.200 -0.303 0.000 2.474 177 E HA 0.074 4.423 4.350 -0.000 0.000 0.195 177 E C 1.802 178.488 176.600 0.143 0.000 1.039 177 E CA 0.455 56.790 56.400 -0.109 0.000 0.881 177 E CB 0.368 29.911 29.700 -0.261 0.000 0.970 177 E HN 0.625 nan 8.360 nan 0.000 0.486 178 V N -2.066 117.914 119.914 0.110 0.000 2.970 178 V HA 0.181 4.301 4.120 -0.000 0.000 0.260 178 V C 0.825 176.945 176.094 0.044 0.000 1.100 178 V CA 1.088 63.447 62.300 0.099 0.000 1.122 178 V CB -0.286 31.569 31.823 0.054 0.000 0.721 178 V HN 0.177 nan 8.190 nan 0.000 0.483 179 G N 0.501 109.324 108.800 0.039 0.000 2.327 179 G HA2 0.317 4.277 3.960 -0.000 0.000 0.291 179 G HA3 0.317 4.277 3.960 -0.000 0.000 0.291 179 G C -0.623 174.366 174.900 0.147 0.000 1.290 179 G CA -0.713 44.434 45.100 0.078 0.000 0.857 179 G HN 0.798 nan 8.290 nan 0.000 0.520 180 R N -0.169 120.421 120.500 0.151 0.000 2.641 180 R HA 0.529 4.869 4.340 -0.000 0.000 0.269 180 R C -2.531 173.931 176.300 0.269 0.000 1.074 180 R CA -0.923 55.287 56.100 0.183 0.000 1.133 180 R CB 0.154 30.517 30.300 0.105 0.000 1.029 180 R HN 0.247 nan 8.270 nan 0.000 0.488 181 P HA 0.022 nan 4.420 nan 0.000 0.269 181 P C -0.832 176.448 177.300 -0.033 0.000 1.209 181 P CA 0.031 63.136 63.100 0.008 0.000 0.776 181 P CB 0.508 32.206 31.700 -0.003 0.000 0.876 182 L N 2.605 123.761 121.223 -0.112 0.000 2.295 182 L HA 0.310 4.650 4.340 -0.000 0.000 0.285 182 L C 0.964 177.776 176.870 -0.096 0.000 1.035 182 L CA -0.625 54.157 54.840 -0.097 0.000 0.806 182 L CB 0.883 42.878 42.059 -0.107 0.000 1.214 182 L HN 0.329 nan 8.230 nan 0.000 0.426 183 E N 1.131 121.255 120.200 -0.126 0.000 2.392 183 E HA -0.065 4.285 4.350 -0.000 0.000 0.259 183 E C 0.016 176.540 176.600 -0.127 0.000 1.108 183 E CA -0.254 56.087 56.400 -0.099 0.000 0.916 183 E CB 1.040 30.696 29.700 -0.074 0.000 0.989 183 E HN 0.549 nan 8.360 nan 0.000 0.432 184 D N 0.754 121.171 120.400 0.029 0.000 2.149 184 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 184 D C 1.757 178.068 176.300 0.020 0.000 0.990 184 D CA 1.747 55.799 54.000 0.087 0.000 0.839 184 D CB 0.016 40.904 40.800 0.146 0.000 0.948 184 D HN 0.635 nan 8.370 nan 0.000 0.460 185 H N -0.909 118.175 119.070 0.023 0.000 2.521 185 H HA 0.141 4.696 4.556 -0.000 0.000 0.286 185 H C 1.403 176.732 175.328 0.003 0.000 1.034 185 H CA 1.077 57.131 56.048 0.009 0.000 1.278 185 H CB -0.277 29.491 29.762 0.009 0.000 1.386 185 H HN 0.250 nan 8.280 nan 0.000 0.567 186 E N 0.615 120.554 120.200 -0.436 0.000 2.478 186 E HA 0.129 4.479 4.350 -0.000 0.000 0.194 186 E C -0.109 176.409 176.600 -0.136 0.000 1.045 186 E CA -0.062 56.170 56.400 -0.281 0.000 0.868 186 E CB 0.380 29.881 29.700 -0.331 0.000 0.885 186 E HN 0.566 nan 8.360 nan 0.000 0.505 187 I N 2.308 122.804 120.570 -0.124 0.000 2.301 187 I HA 0.065 4.235 4.170 -0.000 0.000 0.292 187 I C 0.024 176.092 176.117 -0.082 0.000 1.046 187 I CA -0.634 60.597 61.300 -0.114 0.000 1.282 187 I CB 1.123 39.020 38.000 -0.172 0.000 1.409 187 I HN -0.236 nan 8.210 nan 0.000 0.484 188 V N 7.111 126.987 119.914 -0.063 0.000 2.599 188 V HA 0.062 4.181 4.120 -0.000 0.000 0.300 188 V C 0.441 176.490 176.094 -0.075 0.000 1.034 188 V CA 0.190 62.466 62.300 -0.040 0.000 1.115 188 V CB 0.437 32.253 31.823 -0.012 0.000 0.934 188 V HN 0.644 nan 8.190 nan 0.000 0.485 189 R N 3.319 123.775 120.500 -0.074 0.000 2.740 189 R HA 0.651 4.991 4.340 -0.000 0.000 0.282 189 R C -0.619 175.640 176.300 -0.068 0.000 0.969 189 R CA -0.539 55.464 56.100 -0.162 0.000 0.918 189 R CB 1.622 31.818 30.300 -0.173 0.000 1.175 189 R HN 0.626 nan 8.270 nan 0.000 0.464 190 F N -0.240 119.699 119.950 -0.018 0.000 2.403 190 F HA 0.576 5.103 4.527 -0.000 0.000 0.326 190 F C -0.126 175.667 175.800 -0.013 0.000 1.081 190 F CA -1.150 56.842 58.000 -0.014 0.000 1.041 190 F CB 0.692 39.683 39.000 -0.016 0.000 1.234 190 F HN 0.164 nan 8.300 nan 0.000 0.503 191 N N 1.852 120.729 118.700 0.295 0.000 2.499 191 N HA 0.276 5.016 4.740 -0.000 0.000 0.281 191 N C -0.763 174.915 175.510 0.280 0.000 1.098 191 N CA -0.433 52.734 53.050 0.194 0.000 0.979 191 N CB 1.233 39.782 38.487 0.103 0.000 1.121 191 N HN 0.566 nan 8.380 nan 0.000 0.466 192 R N 2.234 122.861 120.500 0.211 0.000 2.229 192 R HA 0.295 4.635 4.340 -0.000 0.000 0.332 192 R C -1.868 174.485 176.300 0.089 0.000 0.989 192 R CA -1.361 54.846 56.100 0.178 0.000 0.842 192 R CB 0.637 31.052 30.300 0.191 0.000 1.119 192 R HN 0.421 nan 8.270 nan 0.000 0.456 193 P HA -0.001 nan 4.420 nan 0.000 0.262 193 P C -0.763 176.558 177.300 0.036 0.000 1.182 193 P CA -0.058 63.064 63.100 0.037 0.000 0.761 193 P CB 0.830 32.542 31.700 0.020 0.000 0.795 194 A N 3.609 126.447 122.820 0.030 0.000 2.351 194 A HA 0.293 4.613 4.320 -0.000 0.000 0.257 194 A C 0.220 177.821 177.584 0.029 0.000 1.087 194 A CA -0.670 51.385 52.037 0.029 0.000 0.798 194 A CB 0.402 19.414 19.000 0.020 0.000 1.033 194 A HN 0.425 nan 8.150 nan 0.000 0.488 195 V N 3.380 123.315 119.914 0.035 0.000 2.446 195 V HA 0.106 4.226 4.120 -0.000 0.000 0.276 195 V C 0.854 176.961 176.094 0.021 0.000 1.030 195 V CA 0.130 62.450 62.300 0.033 0.000 1.033 195 V CB -0.070 31.780 31.823 0.045 0.000 0.993 195 V HN 1.022 nan 8.190 nan 0.000 0.477 196 E N 5.130 125.340 120.200 0.017 0.000 2.280 196 E HA 0.531 4.881 4.350 -0.000 0.000 0.261 196 E C -1.130 175.475 176.600 0.008 0.000 1.088 196 E CA -1.037 55.370 56.400 0.011 0.000 0.915 196 E CB 1.223 30.928 29.700 0.010 0.000 1.141 196 E HN 0.576 nan 8.360 nan 0.000 0.433 197 Q N 0.922 120.725 119.800 0.005 0.000 2.333 197 Q HA 0.316 4.655 4.340 -0.000 0.000 0.268 197 Q C -1.668 174.333 176.000 0.002 0.000 1.007 197 Q CA -0.480 55.324 55.803 0.002 0.000 0.810 197 Q CB 1.824 30.562 28.738 -0.001 0.000 1.264 197 Q HN 0.454 nan 8.270 nan 0.000 0.452 198 D N 2.185 122.587 120.400 0.002 0.000 2.446 198 D HA 0.518 5.158 4.640 -0.000 0.000 0.251 198 D C 0.669 176.969 176.300 -0.000 0.000 1.137 198 D CA 0.626 54.627 54.000 0.001 0.000 0.890 198 D CB 0.390 41.192 40.800 0.003 0.000 1.071 198 D HN 0.568 nan 8.370 nan 0.000 0.528 199 G N 4.028 112.827 108.800 -0.001 0.000 2.591 199 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.298 199 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.298 199 G C 0.663 175.561 174.900 -0.004 0.000 1.195 199 G CA 0.197 45.295 45.100 -0.002 0.000 0.989 199 G HN 0.494 nan 8.290 nan 0.000 0.551 200 E N 1.515 121.713 120.200 -0.004 0.000 2.476 200 E HA 0.467 4.817 4.350 -0.000 0.000 0.196 200 E C 1.227 177.824 176.600 -0.006 0.000 1.029 200 E CA 0.615 57.011 56.400 -0.006 0.000 0.896 200 E CB 0.518 30.214 29.700 -0.008 0.000 1.012 200 E HN 0.882 nan 8.360 nan 0.000 0.475 201 A N 1.285 124.103 122.820 -0.003 0.000 2.401 201 A HA 0.406 4.726 4.320 -0.000 0.000 0.259 201 A C 0.104 177.689 177.584 0.001 0.000 1.103 201 A CA -0.308 51.729 52.037 -0.000 0.000 0.789 201 A CB 0.171 19.173 19.000 0.003 0.000 1.035 201 A HN 0.161 nan 8.150 nan 0.000 0.491 202 L N 2.893 124.117 121.223 0.001 0.000 2.290 202 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 202 L C -0.562 176.315 176.870 0.011 0.000 1.078 202 L CA -0.482 54.360 54.840 0.005 0.000 0.815 202 L CB 1.252 43.312 42.059 0.002 0.000 1.162 202 L HN 0.399 nan 8.230 nan 0.000 0.435 203 V N 3.071 122.993 119.914 0.014 0.000 2.409 203 V HA 0.786 4.906 4.120 -0.000 0.000 0.291 203 V C 0.478 176.585 176.094 0.022 0.000 1.020 203 V CA -0.192 62.118 62.300 0.017 0.000 0.848 203 V CB 1.156 32.987 31.823 0.014 0.000 0.990 203 V HN 0.956 nan 8.190 nan 0.000 0.430 204 G N 3.357 112.171 108.800 0.024 0.000 3.107 204 G HA2 0.844 4.804 3.960 -0.000 0.000 0.233 204 G HA3 0.844 4.804 3.960 -0.000 0.000 0.233 204 G C -0.802 174.110 174.900 0.021 0.000 1.168 204 G CA 0.071 45.187 45.100 0.027 0.000 0.801 204 G HN 1.116 nan 8.290 nan 0.000 0.605 205 V N -2.786 117.137 119.914 0.015 0.000 3.160 205 V HA 0.778 4.898 4.120 -0.000 0.000 0.310 205 V C -0.394 175.704 176.094 0.008 0.000 1.181 205 V CA -1.086 61.220 62.300 0.010 0.000 1.047 205 V CB 1.469 33.292 31.823 -0.000 0.000 1.068 205 V HN 0.652 nan 8.190 nan 0.000 0.441 206 V N 2.973 122.893 119.914 0.011 0.000 2.421 206 V HA 0.200 4.320 4.120 -0.000 0.000 0.271 206 V C 1.700 177.790 176.094 -0.007 0.000 1.031 206 V CA 0.973 63.280 62.300 0.012 0.000 1.032 206 V CB 0.335 32.166 31.823 0.014 0.000 1.009 206 V HN 1.229 nan 8.190 nan 0.000 0.477 207 S N 3.869 119.563 115.700 -0.010 0.000 2.425 207 S HA 0.374 4.844 4.470 -0.000 0.000 0.225 207 S C 0.696 175.282 174.600 -0.023 0.000 1.024 207 S CA 0.416 58.592 58.200 -0.040 0.000 0.951 207 S CB 0.264 63.406 63.200 -0.097 0.000 0.796 207 S HN 1.208 nan 8.310 nan 0.000 0.498 208 A N 0.564 123.387 122.820 0.004 0.000 2.589 208 A HA 0.629 4.949 4.320 -0.000 0.000 0.296 208 A C -1.190 176.267 177.584 -0.212 0.000 1.062 208 A CA -0.817 51.166 52.037 -0.089 0.000 0.686 208 A CB 0.777 19.728 19.000 -0.082 0.000 1.282 208 A HN 0.193 nan 8.150 nan 0.000 0.404 209 I N 1.961 122.341 120.570 -0.316 0.000 2.371 209 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 209 I C -0.036 175.593 176.117 -0.813 0.000 1.028 209 I CA -0.157 60.845 61.300 -0.496 0.000 1.345 209 I CB 1.045 38.796 38.000 -0.415 0.000 1.407 209 I HN 0.750 nan 8.210 nan 0.000 0.501 210 D N 6.919 126.830 120.400 -0.815 0.000 2.483 210 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 210 D C 0.175 176.200 176.300 -0.459 0.000 1.173 210 D CA -0.124 53.359 54.000 -0.861 0.000 0.964 210 D CB 0.114 40.233 40.800 -1.136 0.000 1.046 210 D HN 0.271 nan 8.370 nan 0.000 0.517 211 H N 3.374 122.307 119.070 -0.228 0.000 2.707 211 H HA 0.158 4.714 4.556 -0.000 0.000 0.359 211 H C -1.390 173.679 175.328 -0.432 0.000 1.113 211 H CA -1.430 54.512 56.048 -0.177 0.000 1.422 211 H CB 0.746 30.433 29.762 -0.125 0.000 1.443 211 H HN 0.440 nan 8.280 nan 0.000 0.591 212 P HA 0.037 nan 4.420 nan 0.000 0.257 212 P C 0.507 177.698 177.300 -0.181 0.000 1.281 212 P CA 0.337 63.242 63.100 -0.326 0.000 0.826 212 P CB 0.053 31.490 31.700 -0.438 0.000 1.237 213 F N 0.310 120.305 119.950 0.074 0.000 2.569 213 F HA 0.325 4.852 4.527 -0.000 0.000 0.295 213 F C 1.967 177.654 175.800 -0.187 0.000 1.115 213 F CA 0.633 58.608 58.000 -0.042 0.000 1.450 213 F CB -1.167 37.749 39.000 -0.140 0.000 1.107 213 F HN 0.068 nan 8.300 nan 0.000 0.563 214 G N 0.814 109.446 108.800 -0.280 0.000 2.160 214 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 214 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 214 G C 0.045 174.697 174.900 -0.414 0.000 1.008 214 G CA -0.083 44.463 45.100 -0.924 0.000 0.724 214 G HN 0.293 nan 8.290 nan 0.000 0.514 215 N N -0.684 117.913 118.700 -0.172 0.000 2.444 215 N HA 0.441 5.181 4.740 -0.000 0.000 0.255 215 N C 0.156 175.596 175.510 -0.116 0.000 1.255 215 N CA -0.037 53.013 53.050 -0.001 0.000 0.933 215 N CB 1.545 40.211 38.487 0.298 0.000 1.143 215 N HN 0.115 nan 8.380 nan 0.000 0.453 216 V N 1.842 121.780 119.914 0.039 0.000 2.378 216 V HA 0.288 4.407 4.120 -0.000 0.000 0.288 216 V C -0.799 175.431 176.094 0.226 0.000 1.016 216 V CA -0.763 61.541 62.300 0.008 0.000 0.840 216 V CB 0.758 32.562 31.823 -0.032 0.000 0.994 216 V HN 0.513 nan 8.190 nan 0.000 0.431 217 W N 3.194 124.457 121.300 -0.062 0.000 2.478 217 W HA 0.659 5.319 4.660 -0.000 0.000 0.318 217 W C 0.626 177.084 176.519 -0.102 0.000 1.062 217 W CA -0.973 56.322 57.345 -0.083 0.000 1.210 217 W CB 1.643 31.066 29.460 -0.061 0.000 1.325 217 W HN 0.651 nan 8.180 nan 0.000 0.496 218 T N -0.592 114.020 114.554 0.098 0.000 2.948 218 T HA 0.233 4.583 4.350 -0.000 0.000 0.285 218 T C 0.778 175.446 174.700 -0.053 0.000 1.019 218 T CA -0.725 61.391 62.100 0.027 0.000 1.013 218 T CB 1.336 70.221 68.868 0.029 0.000 1.117 218 T HN 0.381 nan 8.240 nan 0.000 0.533 219 N N 0.402 119.072 118.700 -0.050 0.000 2.370 219 N HA 0.069 4.809 4.740 -0.000 0.000 0.198 219 N C -0.130 175.542 175.510 0.271 0.000 1.156 219 N CA -0.244 52.759 53.050 -0.078 0.000 0.839 219 N CB -0.531 37.919 38.487 -0.062 0.000 0.989 219 N HN 0.704 nan 8.380 nan 0.000 0.468 220 I N 1.541 122.270 120.570 0.266 0.000 2.301 220 I HA 0.080 4.250 4.170 -0.000 0.000 0.292 220 I C 0.542 176.782 176.117 0.205 0.000 1.046 220 I CA -0.537 60.883 61.300 0.198 0.000 1.282 220 I CB 0.404 38.445 38.000 0.069 0.000 1.409 220 I HN 0.116 nan 8.210 nan 0.000 0.484 221 H N 6.522 125.589 119.070 -0.006 0.000 2.482 221 H HA 0.211 4.767 4.556 -0.000 0.000 0.344 221 H C 1.141 176.326 175.328 -0.238 0.000 1.151 221 H CA -0.279 55.582 56.048 -0.313 0.000 1.300 221 H CB 1.475 30.978 29.762 -0.432 0.000 1.494 221 H HN 0.630 nan 8.280 nan 0.000 0.542 222 R N 1.298 121.376 120.500 -0.703 0.000 2.140 222 R HA -0.205 4.135 4.340 -0.000 0.000 0.250 222 R C 1.703 177.909 176.300 -0.157 0.000 1.150 222 R CA 2.630 58.480 56.100 -0.417 0.000 0.966 222 R CB -0.617 29.387 30.300 -0.494 0.000 0.869 222 R HN 0.783 nan 8.270 nan 0.000 0.445 223 T N -1.299 113.292 114.554 0.062 0.000 2.788 223 T HA -0.131 4.218 4.350 -0.000 0.000 0.268 223 T C 1.489 176.187 174.700 -0.003 0.000 1.044 223 T CA 1.506 63.635 62.100 0.048 0.000 1.139 223 T CB -0.386 68.518 68.868 0.059 0.000 0.867 223 T HN 0.298 nan 8.240 nan 0.000 0.454 224 D N 1.501 121.908 120.400 0.012 0.000 2.117 224 D HA -0.022 4.617 4.640 -0.000 0.000 0.197 224 D C 2.243 178.523 176.300 -0.034 0.000 0.987 224 D CA 1.055 55.051 54.000 -0.006 0.000 0.829 224 D CB -0.218 40.594 40.800 0.020 0.000 0.961 224 D HN 0.386 nan 8.370 nan 0.000 0.460 225 L N 1.039 122.223 121.223 -0.065 0.000 1.994 225 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 225 L C 1.937 178.754 176.870 -0.087 0.000 1.071 225 L CA 1.077 55.863 54.840 -0.089 0.000 0.745 225 L CB -0.561 41.413 42.059 -0.142 0.000 0.892 225 L HN 0.099 nan 8.230 nan 0.000 0.431 226 E N 0.808 120.950 120.200 -0.097 0.000 2.528 226 E HA -0.114 4.235 4.350 -0.000 0.000 0.237 226 E C 0.920 177.486 176.600 -0.057 0.000 1.408 226 E CA 0.193 56.543 56.400 -0.084 0.000 1.571 226 E CB 0.049 29.691 29.700 -0.097 0.000 1.395 226 E HN 0.415 nan 8.360 nan 0.000 0.438 227 K N -0.334 120.037 120.400 -0.048 0.000 2.589 227 K HA 0.220 4.540 4.320 -0.000 0.000 0.218 227 K C 0.966 177.547 176.600 -0.031 0.000 1.468 227 K CA 0.553 56.819 56.287 -0.035 0.000 1.002 227 K CB 0.615 33.097 32.500 -0.030 0.000 1.200 227 K HN 0.131 nan 8.250 nan 0.000 0.614 228 A N 0.416 123.215 122.820 -0.036 0.000 2.430 228 A HA 0.439 4.759 4.320 -0.000 0.000 0.243 228 A C 0.909 178.472 177.584 -0.034 0.000 1.254 228 A CA 0.417 52.435 52.037 -0.030 0.000 0.914 228 A CB 0.319 19.303 19.000 -0.028 0.000 0.998 228 A HN 0.403 nan 8.150 nan 0.000 0.515 229 G N -0.231 108.544 108.800 -0.041 0.000 2.165 229 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.226 229 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.226 229 G C -0.219 174.650 174.900 -0.051 0.000 1.035 229 G CA 0.188 45.263 45.100 -0.041 0.000 0.744 229 G HN 0.482 nan 8.290 nan 0.000 0.501 230 I N 0.673 121.200 120.570 -0.073 0.000 2.418 230 I HA 0.682 4.852 4.170 -0.000 0.000 0.287 230 I C 0.815 176.843 176.117 -0.148 0.000 1.008 230 I CA -0.292 60.951 61.300 -0.095 0.000 1.104 230 I CB 1.816 39.760 38.000 -0.093 0.000 1.264 230 I HN 0.228 nan 8.210 nan 0.000 0.438 231 G N 3.934 112.641 108.800 -0.155 0.000 3.105 231 G HA2 0.532 4.492 3.960 -0.000 0.000 0.277 231 G HA3 0.532 4.492 3.960 -0.000 0.000 0.277 231 G C -1.414 173.344 174.900 -0.237 0.000 1.375 231 G CA -0.614 44.338 45.100 -0.248 0.000 0.962 231 G HN 0.277 nan 8.290 nan 0.000 0.541 232 Y N 0.153 120.428 120.300 -0.042 0.000 2.712 232 Y HA 0.321 4.871 4.550 -0.000 0.000 0.333 232 Y C 1.657 177.543 175.900 -0.025 0.000 1.225 232 Y CA 1.719 59.798 58.100 -0.035 0.000 1.499 232 Y CB 0.913 39.351 38.460 -0.038 0.000 1.288 232 Y HN 1.134 nan 8.280 nan 0.000 0.575 233 G N 0.790 109.681 108.800 0.152 0.000 2.232 233 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 233 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 233 G C 0.287 175.213 174.900 0.042 0.000 0.996 233 G CA -0.341 44.807 45.100 0.080 0.000 0.626 233 G HN 1.064 nan 8.290 nan 0.000 0.509 234 A N 0.764 123.597 122.820 0.021 0.000 2.492 234 A HA 0.643 4.963 4.320 -0.000 0.000 0.254 234 A C 0.750 178.340 177.584 0.011 0.000 1.091 234 A CA 0.229 52.266 52.037 0.001 0.000 0.768 234 A CB 0.076 19.059 19.000 -0.029 0.000 1.028 234 A HN 0.504 nan 8.150 nan 0.000 0.498 235 R N 1.895 122.403 120.500 0.013 0.000 2.404 235 R HA 0.334 4.674 4.340 -0.000 0.000 0.315 235 R C -0.643 175.666 176.300 0.016 0.000 1.032 235 R CA 0.360 56.472 56.100 0.020 0.000 0.992 235 R CB 0.071 30.383 30.300 0.020 0.000 0.959 235 R HN 0.681 nan 8.270 nan 0.000 0.428 236 L N 3.060 124.298 121.223 0.024 0.000 2.330 236 L HA 0.555 4.895 4.340 -0.000 0.000 0.271 236 L C 0.089 176.982 176.870 0.038 0.000 1.013 236 L CA -0.985 53.868 54.840 0.022 0.000 0.816 236 L CB 2.005 44.073 42.059 0.015 0.000 1.287 236 L HN 0.466 nan 8.230 nan 0.000 0.435 237 R N 2.487 123.007 120.500 0.034 0.000 2.310 237 R HA 0.536 4.876 4.340 -0.000 0.000 0.324 237 R C -1.510 174.824 176.300 0.056 0.000 0.955 237 R CA -0.520 55.609 56.100 0.048 0.000 0.830 237 R CB 1.237 31.555 30.300 0.030 0.000 1.154 237 R HN 0.573 nan 8.270 nan 0.000 0.458 238 L N 4.262 125.543 121.223 0.097 0.000 2.294 238 L HA 0.426 4.766 4.340 -0.000 0.000 0.283 238 L C -0.990 175.974 176.870 0.157 0.000 1.015 238 L CA -0.268 54.638 54.840 0.110 0.000 0.831 238 L CB 1.963 44.091 42.059 0.115 0.000 1.217 238 L HN 0.667 nan 8.230 nan 0.000 0.420 239 T N 5.780 120.395 114.554 0.102 0.000 2.771 239 T HA 0.533 4.883 4.350 -0.000 0.000 0.281 239 T C -0.205 174.558 174.700 0.104 0.000 0.982 239 T CA -0.292 61.865 62.100 0.094 0.000 0.978 239 T CB 1.050 69.938 68.868 0.034 0.000 0.930 239 T HN 0.358 nan 8.240 nan 0.000 0.447 240 L N 2.446 123.754 121.223 0.141 0.000 2.334 240 L HA 0.433 4.773 4.340 -0.000 0.000 0.273 240 L C 0.855 177.773 176.870 0.081 0.000 1.013 240 L CA -0.767 54.150 54.840 0.128 0.000 0.816 240 L CB 1.162 43.345 42.059 0.207 0.000 1.278 240 L HN 0.644 nan 8.230 nan 0.000 0.431 241 D N 1.882 122.320 120.400 0.064 0.000 2.931 241 D HA -0.224 4.416 4.640 -0.000 0.000 0.228 241 D C 1.138 177.453 176.300 0.026 0.000 1.180 241 D CA 1.523 55.550 54.000 0.045 0.000 0.784 241 D CB -0.577 40.255 40.800 0.054 0.000 1.093 241 D HN 1.058 nan 8.370 nan 0.000 0.421 242 G N -2.854 105.959 108.800 0.022 0.000 2.168 242 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 242 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 242 G C 0.971 175.867 174.900 -0.006 0.000 0.977 242 G CA 0.900 46.005 45.100 0.008 0.000 0.659 242 G HN 0.849 nan 8.290 nan 0.000 0.533 243 V N -0.718 119.188 119.914 -0.014 0.000 3.177 243 V HA 0.370 4.490 4.120 -0.000 0.000 0.219 243 V C 1.310 177.350 176.094 -0.089 0.000 1.344 243 V CA 0.278 62.553 62.300 -0.043 0.000 1.324 243 V CB 0.077 31.878 31.823 -0.037 0.000 1.165 243 V HN 0.215 nan 8.190 nan 0.000 0.510 244 L N 4.378 125.541 121.223 -0.100 0.000 2.315 244 L HA 0.347 4.687 4.340 -0.000 0.000 0.283 244 L C -2.494 174.183 176.870 -0.321 0.000 1.089 244 L CA -1.107 53.586 54.840 -0.245 0.000 0.833 244 L CB 1.215 43.153 42.059 -0.202 0.000 1.170 244 L HN 0.232 nan 8.230 nan 0.000 0.442 245 P HA 0.500 nan 4.420 nan 0.000 0.296 245 P C -1.275 175.595 177.300 -0.718 0.000 1.301 245 P CA -0.456 62.418 63.100 -0.375 0.000 0.862 245 P CB 1.349 32.919 31.700 -0.216 0.000 1.046 246 F N 0.007 119.949 119.950 -0.013 0.000 2.576 246 F HA 0.525 5.052 4.527 -0.000 0.000 0.313 246 F C 0.436 176.245 175.800 0.015 0.000 1.078 246 F CA -0.573 57.432 58.000 0.008 0.000 0.921 246 F CB 2.582 41.599 39.000 0.029 0.000 1.232 246 F HN 0.178 nan 8.300 nan 0.000 0.459 247 E N 1.330 121.645 120.200 0.192 0.000 2.263 247 E HA 0.802 5.152 4.350 -0.000 0.000 0.268 247 E C -1.404 175.265 176.600 0.116 0.000 0.884 247 E CA -0.864 55.606 56.400 0.118 0.000 0.766 247 E CB 2.428 32.168 29.700 0.066 0.000 1.196 247 E HN 0.749 nan 8.360 nan 0.000 0.416 248 A N 3.531 126.409 122.820 0.096 0.000 2.608 248 A HA 0.663 4.983 4.320 -0.000 0.000 0.292 248 A C -2.933 174.691 177.584 0.067 0.000 1.066 248 A CA -1.390 50.698 52.037 0.085 0.000 0.676 248 A CB 1.306 20.368 19.000 0.103 0.000 1.277 248 A HN 0.323 nan 8.150 nan 0.000 0.413 249 P HA 0.400 nan 4.420 nan 0.000 0.274 249 P C -0.489 176.855 177.300 0.073 0.000 1.231 249 P CA -0.341 62.792 63.100 0.056 0.000 0.790 249 P CB 0.451 32.183 31.700 0.053 0.000 0.951 250 L N 3.274 124.538 121.223 0.068 0.000 2.418 250 L HA 0.313 4.653 4.340 -0.000 0.000 0.274 250 L C 0.182 177.189 176.870 0.229 0.000 1.135 250 L CA 1.077 55.976 54.840 0.099 0.000 0.870 250 L CB -0.525 41.529 42.059 -0.010 0.000 1.154 250 L HN 0.534 nan 8.230 nan 0.000 0.462 251 T N 2.059 116.761 114.554 0.247 0.000 2.906 251 T HA 0.578 4.928 4.350 -0.000 0.000 0.295 251 T C -2.257 172.491 174.700 0.079 0.000 1.075 251 T CA -1.666 60.523 62.100 0.148 0.000 1.005 251 T CB 1.682 70.574 68.868 0.040 0.000 1.136 251 T HN 0.340 nan 8.240 nan 0.000 0.498 252 P HA 0.158 nan 4.420 nan 0.000 0.222 252 P C 0.511 177.658 177.300 -0.254 0.000 1.153 252 P CA 0.746 63.628 63.100 -0.363 0.000 0.798 252 P CB 0.236 31.588 31.700 -0.579 0.000 0.796 253 T N -3.308 111.072 114.554 -0.291 0.000 2.812 253 T HA 0.401 4.751 4.350 -0.000 0.000 0.294 253 T C 0.107 174.526 174.700 -0.469 0.000 1.159 253 T CA -0.586 61.216 62.100 -0.496 0.000 1.008 253 T CB 0.201 68.879 68.868 -0.316 0.000 1.289 253 T HN -0.337 nan 8.240 nan 0.000 0.514 254 F N 1.156 120.939 119.950 -0.278 0.000 2.113 254 F HA 0.145 4.672 4.527 -0.000 0.000 0.297 254 F C 2.754 178.475 175.800 -0.132 0.000 1.103 254 F CA 1.165 59.018 58.000 -0.246 0.000 1.248 254 F CB -0.902 37.930 39.000 -0.280 0.000 0.999 254 F HN 0.621 nan 8.300 nan 0.000 0.475 255 A N -0.136 122.731 122.820 0.079 0.000 2.125 255 A HA -0.147 4.172 4.320 -0.000 0.000 0.219 255 A C 1.705 179.292 177.584 0.006 0.000 1.156 255 A CA 1.559 53.616 52.037 0.033 0.000 0.671 255 A CB -0.798 18.212 19.000 0.016 0.000 0.794 255 A HN 0.279 nan 8.150 nan 0.000 0.459 256 D N 0.345 120.734 120.400 -0.017 0.000 2.309 256 D HA -0.061 4.579 4.640 -0.000 0.000 0.212 256 D C 1.941 178.246 176.300 0.008 0.000 0.968 256 D CA 1.193 55.182 54.000 -0.018 0.000 0.882 256 D CB -0.220 40.554 40.800 -0.043 0.000 0.918 256 D HN 0.492 nan 8.370 nan 0.000 0.503 257 A N -0.015 122.820 122.820 0.025 0.000 2.119 257 A HA 0.316 4.636 4.320 -0.000 0.000 0.217 257 A C 1.685 179.291 177.584 0.037 0.000 1.153 257 A CA 1.569 53.631 52.037 0.042 0.000 0.692 257 A CB -0.249 18.788 19.000 0.062 0.000 0.799 257 A HN 0.335 nan 8.150 nan 0.000 0.458 258 G N -0.622 108.194 108.800 0.026 0.000 2.742 258 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.255 258 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.255 258 G C -0.228 174.685 174.900 0.022 0.000 1.322 258 G CA -0.012 45.101 45.100 0.021 0.000 0.967 258 G HN 0.417 nan 8.290 nan 0.000 0.556 259 E N 1.158 121.372 120.200 0.024 0.000 2.418 259 E HA 0.323 4.673 4.350 -0.000 0.000 0.261 259 E C 1.092 177.706 176.600 0.023 0.000 1.070 259 E CA -0.197 56.216 56.400 0.022 0.000 0.931 259 E CB 0.364 30.079 29.700 0.024 0.000 0.954 259 E HN 0.496 nan 8.360 nan 0.000 0.439 260 I N 1.165 121.744 120.570 0.015 0.000 2.826 260 I HA -0.120 4.050 4.170 -0.000 0.000 0.295 260 I C 1.584 177.713 176.117 0.020 0.000 1.213 260 I CA 1.466 62.772 61.300 0.010 0.000 1.436 260 I CB -0.154 37.847 38.000 0.001 0.000 1.348 260 I HN 0.819 nan 8.210 nan 0.000 0.570 261 G N 4.128 112.940 108.800 0.020 0.000 2.234 261 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.235 261 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.235 261 G C 0.277 175.215 174.900 0.062 0.000 0.997 261 G CA -0.410 44.711 45.100 0.035 0.000 0.623 261 G HN 0.577 nan 8.290 nan 0.000 0.514 262 N N 1.136 119.873 118.700 0.062 0.000 2.453 262 N HA 0.380 5.119 4.740 -0.000 0.000 0.253 262 N C 0.723 176.291 175.510 0.096 0.000 1.252 262 N CA -0.220 52.878 53.050 0.081 0.000 0.917 262 N CB 0.418 38.944 38.487 0.066 0.000 1.117 262 N HN 0.190 nan 8.380 nan 0.000 0.442 263 I N 1.112 121.755 120.570 0.122 0.000 2.556 263 I HA 0.143 4.313 4.170 -0.000 0.000 0.284 263 I C 0.597 176.785 176.117 0.118 0.000 1.114 263 I CA -0.589 60.789 61.300 0.130 0.000 1.418 263 I CB -0.504 37.605 38.000 0.182 0.000 1.394 263 I HN 0.407 nan 8.210 nan 0.000 0.552 264 A N 8.191 131.091 122.820 0.135 0.000 2.318 264 A HA 0.766 5.086 4.320 -0.000 0.000 0.317 264 A C -0.416 177.311 177.584 0.239 0.000 1.159 264 A CA -0.536 51.596 52.037 0.157 0.000 0.799 264 A CB 0.742 19.817 19.000 0.125 0.000 1.194 264 A HN 0.617 nan 8.150 nan 0.000 0.479 265 I N 3.477 124.166 120.570 0.197 0.000 2.339 265 I HA 0.546 4.715 4.170 -0.000 0.000 0.290 265 I C -0.490 175.748 176.117 0.201 0.000 0.994 265 I CA -0.505 60.895 61.300 0.167 0.000 1.191 265 I CB 1.034 39.080 38.000 0.077 0.000 1.343 265 I HN 0.829 nan 8.210 nan 0.000 0.458 266 Y N 4.559 124.845 120.300 -0.023 0.000 2.705 266 Y HA 0.728 5.278 4.550 -0.000 0.000 0.332 266 Y C -1.853 174.013 175.900 -0.057 0.000 1.221 266 Y CA -1.493 56.584 58.100 -0.038 0.000 1.059 266 Y CB 1.114 39.471 38.460 -0.170 0.000 1.298 266 Y HN 0.205 nan 8.280 nan 0.000 0.459 267 L N 3.631 124.850 121.223 -0.006 0.000 2.282 267 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 267 L C -0.462 176.356 176.870 -0.087 0.000 1.033 267 L CA -0.916 53.820 54.840 -0.172 0.000 0.807 267 L CB 1.090 43.088 42.059 -0.102 0.000 1.209 267 L HN 0.794 nan 8.230 nan 0.000 0.423 268 N N 0.745 119.265 118.700 -0.300 0.000 2.317 268 N HA -0.043 4.697 4.740 -0.000 0.000 0.245 268 N C 0.970 176.390 175.510 -0.150 0.000 1.294 268 N CA -0.058 52.878 53.050 -0.191 0.000 0.924 268 N CB 0.408 38.452 38.487 -0.738 0.000 1.186 268 N HN 0.572 nan 8.380 nan 0.000 0.495 269 S N -0.919 114.729 115.700 -0.086 0.000 2.537 269 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 269 S C 0.937 175.515 174.600 -0.037 0.000 0.981 269 S CA 0.356 58.544 58.200 -0.020 0.000 0.948 269 S CB -0.409 62.828 63.200 0.062 0.000 0.759 269 S HN 0.627 nan 8.310 nan 0.000 0.531 270 R N 0.188 120.612 120.500 -0.127 0.000 2.432 270 R HA 0.325 4.664 4.340 -0.000 0.000 0.260 270 R C 1.326 177.580 176.300 -0.077 0.000 0.935 270 R CA 0.301 56.380 56.100 -0.034 0.000 1.080 270 R CB 0.132 30.437 30.300 0.007 0.000 1.155 270 R HN 0.497 nan 8.270 nan 0.000 0.531 271 G N 0.870 109.553 108.800 -0.196 0.000 2.143 271 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.248 271 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.248 271 G C -0.353 174.150 174.900 -0.662 0.000 0.991 271 G CA 0.053 44.924 45.100 -0.382 0.000 0.689 271 G HN 0.299 nan 8.290 nan 0.000 0.522 272 Y N -1.257 118.787 120.300 -0.426 0.000 2.387 272 Y HA 0.605 5.154 4.550 -0.000 0.000 0.330 272 Y C 0.734 176.389 175.900 -0.409 0.000 1.133 272 Y CA -1.138 56.731 58.100 -0.386 0.000 1.152 272 Y CB 1.387 39.689 38.460 -0.263 0.000 1.215 272 Y HN 0.209 nan 8.280 nan 0.000 0.466 273 L N 2.802 123.931 121.223 -0.156 0.000 2.559 273 L HA 0.144 4.484 4.340 -0.000 0.000 0.274 273 L C -0.437 176.289 176.870 -0.241 0.000 1.205 273 L CA 1.014 55.728 54.840 -0.210 0.000 0.907 273 L CB -0.387 41.601 42.059 -0.118 0.000 1.153 273 L HN 0.598 nan 8.230 nan 0.000 0.490 274 S N 5.423 120.845 115.700 -0.464 0.000 2.627 274 S HA 0.716 5.186 4.470 -0.000 0.000 0.283 274 S C -0.956 173.431 174.600 -0.355 0.000 1.127 274 S CA -0.633 57.290 58.200 -0.460 0.000 0.863 274 S CB 1.841 64.579 63.200 -0.770 0.000 1.121 274 S HN 0.697 nan 8.310 nan 0.000 0.479 275 I N 0.776 121.329 120.570 -0.029 0.000 2.686 275 I HA 0.826 4.996 4.170 -0.000 0.000 0.295 275 I C -1.180 175.074 176.117 0.229 0.000 1.114 275 I CA -0.480 60.875 61.300 0.091 0.000 1.038 275 I CB 1.580 39.514 38.000 -0.110 0.000 1.238 275 I HN 0.871 nan 8.210 nan 0.000 0.420 276 A N 6.536 129.516 122.820 0.267 0.000 2.602 276 A HA 0.767 5.087 4.320 -0.000 0.000 0.290 276 A C -1.351 176.295 177.584 0.104 0.000 1.114 276 A CA -0.817 51.347 52.037 0.211 0.000 0.683 276 A CB 1.712 20.953 19.000 0.401 0.000 1.281 276 A HN 0.723 nan 8.150 nan 0.000 0.416 277 R N 0.462 120.989 120.500 0.046 0.000 2.536 277 R HA 0.360 4.700 4.340 -0.000 0.000 0.279 277 R C -0.570 175.740 176.300 0.016 0.000 1.001 277 R CA -0.841 55.285 56.100 0.043 0.000 1.027 277 R CB 0.928 31.243 30.300 0.024 0.000 1.096 277 R HN 0.713 nan 8.270 nan 0.000 0.502 278 N N 1.357 120.077 118.700 0.034 0.000 2.416 278 N HA 0.052 4.792 4.740 -0.000 0.000 0.265 278 N C -0.201 175.277 175.510 -0.053 0.000 1.195 278 N CA 0.714 53.770 53.050 0.009 0.000 0.943 278 N CB 0.580 39.092 38.487 0.042 0.000 1.115 278 N HN 0.752 nan 8.380 nan 0.000 0.481 279 A N 1.964 124.696 122.820 -0.148 0.000 2.704 279 A HA 0.067 4.387 4.320 -0.000 0.000 0.299 279 A C 0.141 177.679 177.584 -0.076 0.000 1.507 279 A CA 1.254 53.207 52.037 -0.140 0.000 0.776 279 A CB -1.961 16.981 19.000 -0.097 0.000 1.027 279 A HN 1.205 nan 8.150 nan 0.000 0.475 280 A N -0.939 121.837 122.820 -0.074 0.000 2.606 280 A HA 0.827 5.147 4.320 -0.000 0.000 0.293 280 A C 0.005 177.559 177.584 -0.050 0.000 1.082 280 A CA 0.481 52.496 52.037 -0.037 0.000 0.685 280 A CB 0.638 19.627 19.000 -0.020 0.000 1.284 280 A HN 1.758 nan 8.150 nan 0.000 0.408 281 S N 0.291 115.970 115.700 -0.034 0.000 2.499 281 S HA 0.363 4.833 4.470 -0.000 0.000 0.275 281 S C 0.785 175.299 174.600 -0.143 0.000 1.257 281 S CA -0.436 57.705 58.200 -0.099 0.000 1.050 281 S CB 0.415 63.608 63.200 -0.011 0.000 0.937 281 S HN 1.170 nan 8.310 nan 0.000 0.490 282 L N 6.505 127.626 121.223 -0.171 0.000 2.102 282 L HA 0.334 4.674 4.340 -0.000 0.000 0.202 282 L C 2.392 179.193 176.870 -0.114 0.000 1.076 282 L CA 2.221 56.999 54.840 -0.103 0.000 0.761 282 L CB -1.283 40.725 42.059 -0.086 0.000 0.921 282 L HN 0.816 nan 8.230 nan 0.000 0.444 283 A N -1.202 121.452 122.820 -0.277 0.000 1.898 283 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 283 A C 2.086 179.591 177.584 -0.131 0.000 1.181 283 A CA 1.713 53.619 52.037 -0.217 0.000 0.620 283 A CB -0.960 17.815 19.000 -0.375 0.000 0.819 283 A HN 0.531 nan 8.150 nan 0.000 0.442 284 Y N 0.120 120.373 120.300 -0.078 0.000 2.163 284 Y HA -0.034 4.516 4.550 -0.000 0.000 0.288 284 Y C -0.153 175.613 175.900 -0.222 0.000 1.136 284 Y CA 1.127 59.124 58.100 -0.172 0.000 1.147 284 Y CB -2.104 36.271 38.460 -0.142 0.000 0.987 284 Y HN 0.305 nan 8.280 nan 0.000 0.509 285 P HA -0.133 nan 4.420 nan 0.000 0.218 285 P C 0.658 177.988 177.300 0.050 0.000 1.149 285 P CA 1.619 64.656 63.100 -0.105 0.000 0.817 285 P CB -0.152 31.342 31.700 -0.344 0.000 0.785 286 Y N -2.935 117.494 120.300 0.216 0.000 2.457 286 Y HA 0.184 4.734 4.550 -0.000 0.000 0.263 286 Y C 0.359 176.446 175.900 0.313 0.000 1.164 286 Y CA -0.649 57.598 58.100 0.246 0.000 1.274 286 Y CB -1.509 37.073 38.460 0.203 0.000 1.097 286 Y HN 0.045 nan 8.280 nan 0.000 0.523 287 H N -0.907 118.288 119.070 0.209 0.000 2.692 287 H HA -0.171 4.385 4.556 -0.000 0.000 0.316 287 H C -0.313 175.108 175.328 0.154 0.000 1.176 287 H CA 0.045 56.193 56.048 0.167 0.000 1.142 287 H CB -2.054 27.785 29.762 0.129 0.000 1.475 287 H HN 0.243 nan 8.280 nan 0.000 0.423 288 L N 0.096 121.448 121.223 0.215 0.000 2.417 288 L HA 0.318 4.657 4.340 -0.000 0.000 0.268 288 L C 0.769 177.700 176.870 0.102 0.000 1.158 288 L CA 0.366 55.297 54.840 0.153 0.000 0.819 288 L CB 0.904 43.041 42.059 0.129 0.000 1.112 288 L HN 0.241 nan 8.230 nan 0.000 0.458 289 K N 1.269 121.717 120.400 0.081 0.000 2.508 289 K HA 0.272 4.591 4.320 -0.000 0.000 0.260 289 K C -0.978 175.641 176.600 0.032 0.000 0.949 289 K CA -0.879 55.446 56.287 0.063 0.000 0.834 289 K CB 2.265 34.813 32.500 0.080 0.000 1.365 289 K HN 0.457 nan 8.250 nan 0.000 0.437 290 E N 0.408 120.617 120.200 0.016 0.000 2.413 290 E HA 0.052 4.402 4.350 -0.000 0.000 0.263 290 E C 0.487 177.091 176.600 0.007 0.000 1.015 290 E CA 1.420 57.819 56.400 -0.002 0.000 0.916 290 E CB 0.384 30.076 29.700 -0.014 0.000 0.947 290 E HN 0.760 nan 8.360 nan 0.000 0.440 291 G N 3.653 112.453 108.800 -0.000 0.000 2.241 291 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 291 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 291 G C 0.400 175.308 174.900 0.014 0.000 0.998 291 G CA 0.243 45.344 45.100 0.003 0.000 0.621 291 G HN 0.529 nan 8.290 nan 0.000 0.519 292 M N 2.505 122.119 119.600 0.024 0.000 2.249 292 M HA 0.362 4.842 4.480 -0.000 0.000 0.340 292 M C 1.428 177.745 176.300 0.029 0.000 1.166 292 M CA 0.529 55.849 55.300 0.032 0.000 1.115 292 M CB 0.731 33.359 32.600 0.048 0.000 1.606 292 M HN 0.581 nan 8.290 nan 0.000 0.448 293 S N 2.049 117.766 115.700 0.029 0.000 2.573 293 S HA 0.559 5.029 4.470 -0.000 0.000 0.277 293 S C -0.288 174.334 174.600 0.036 0.000 1.346 293 S CA -0.837 57.380 58.200 0.027 0.000 1.034 293 S CB 0.789 64.003 63.200 0.024 0.000 0.879 293 S HN 0.784 nan 8.310 nan 0.000 0.528 294 A N 2.068 124.907 122.820 0.033 0.000 2.408 294 A HA 0.725 5.045 4.320 -0.000 0.000 0.295 294 A C -0.335 177.268 177.584 0.033 0.000 1.040 294 A CA -0.895 51.165 52.037 0.039 0.000 0.707 294 A CB 1.290 20.311 19.000 0.036 0.000 1.235 294 A HN 0.935 nan 8.150 nan 0.000 0.418 295 R N 2.231 122.753 120.500 0.036 0.000 2.513 295 R HA 0.707 5.047 4.340 -0.000 0.000 0.301 295 R C -2.183 174.134 176.300 0.028 0.000 0.968 295 R CA -0.343 55.773 56.100 0.027 0.000 0.872 295 R CB 1.926 32.240 30.300 0.024 0.000 1.177 295 R HN 0.623 nan 8.270 nan 0.000 0.444 296 V N 4.504 124.428 119.914 0.017 0.000 2.735 296 V HA 0.536 4.656 4.120 -0.000 0.000 0.310 296 V C -1.274 174.822 176.094 0.003 0.000 1.061 296 V CA -0.325 61.982 62.300 0.011 0.000 0.913 296 V CB 2.014 33.837 31.823 0.000 0.000 1.005 296 V HN 0.985 nan 8.190 nan 0.000 0.428 297 E N 5.191 125.393 120.200 0.004 0.000 2.366 297 E HA 0.795 5.145 4.350 -0.000 0.000 0.278 297 E C -0.902 175.696 176.600 -0.003 0.000 0.923 297 E CA -0.865 55.534 56.400 -0.001 0.000 0.761 297 E CB 2.278 31.980 29.700 0.002 0.000 1.231 297 E HN 0.780 nan 8.360 nan 0.000 0.443 298 A N 0.000 122.815 122.820 -0.009 0.000 2.254 298 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 298 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 298 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 298 A HN 0.000 nan 8.150 nan 0.000 0.486