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 3mk6_1_A DATA FIRST_RESID 6 DATA SEQUENCE LVPRGSPWFG MDIGGTLVKL SYFEPIDITA EEEQEEVESL KSIRKYLTSN DATA SEQUENCE XXXXXXXIRD VHLELKDLTL FGRRGNLHFI RFPTQDLPTF IQMGRDKNFS DATA SEQUENCE TLQTVLCATG GGAYKFEKDF XXIGNLHLHK LDELDCLVKG LLYIDSVSFN DATA SEQUENCE GQAECYYFAN ASEPERCQKM PFNLDDPYPL LVVNIGSGVS ILAVHSKDNY DATA SEQUENCE KRVTGTSLGG GTFLGLCSLL TGCESFEEAL EMASKGDSTQ ADKLVRDIYG DATA SEQUENCE GDYERFGLPG WAVASSFGNM IYKEKRESVS KEDLARATLV TITNNIGSVA DATA SEQUENCE RMCAVNEKIN RVVFVGNFLR VNTLSMKLLA YALDYWSKGQ LKALFLEHEG DATA SEQUENCE YFGAVGALLG LPN 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.735 176.870 -0.225 0.000 1.165 6 L CA 0.000 54.782 54.840 -0.097 0.000 0.813 6 L CB 0.000 42.001 42.059 -0.096 0.000 0.961 7 V N 2.502 122.211 119.914 -0.343 0.000 2.715 7 V HA 0.774 4.967 4.120 0.122 0.000 0.310 7 V C -2.158 173.526 176.094 -0.683 0.000 1.054 7 V CA -2.024 59.869 62.300 -0.678 0.000 0.928 7 V CB 2.225 33.872 31.823 -0.294 0.000 1.007 7 V HN 0.933 nan 8.190 nan 0.000 0.437 8 P HA 0.214 nan 4.420 nan 0.000 0.266 8 P C 0.782 177.952 177.300 -0.218 0.000 1.195 8 P CA 0.153 62.861 63.100 -0.653 0.000 0.768 8 P CB 0.510 31.623 31.700 -0.978 0.000 0.838 9 R N 3.089 123.522 120.500 -0.112 0.000 2.092 9 R HA 0.060 4.473 4.340 0.122 0.000 0.231 9 R C 1.480 177.843 176.300 0.104 0.000 1.119 9 R CA 1.582 57.683 56.100 0.002 0.000 0.970 9 R CB -1.596 28.695 30.300 -0.015 0.000 0.864 9 R HN 0.683 nan 8.270 nan 0.000 0.440 10 G N -0.837 108.043 108.800 0.134 0.000 2.634 10 G HA2 0.400 4.434 3.960 0.122 0.000 0.255 10 G HA3 0.400 4.434 3.960 0.122 0.000 0.255 10 G C -0.382 174.681 174.900 0.272 0.000 1.205 10 G CA 0.482 45.700 45.100 0.196 0.000 0.884 10 G HN 0.520 nan 8.290 nan 0.000 0.549 11 S N 0.389 116.162 115.700 0.121 0.000 2.536 11 S HA 0.750 5.293 4.470 0.122 0.000 0.287 11 S C -2.611 171.956 174.600 -0.055 0.000 1.101 11 S CA -1.204 56.967 58.200 -0.049 0.000 0.950 11 S CB 2.421 65.546 63.200 -0.124 0.000 1.056 11 S HN 0.463 nan 8.310 nan 0.000 0.481 12 P HA 0.400 nan 4.420 nan 0.000 0.280 12 P C -1.145 176.276 177.300 0.201 0.000 1.272 12 P CA -0.641 62.346 63.100 -0.190 0.000 0.819 12 P CB 0.433 31.919 31.700 -0.355 0.000 1.122 13 W N 1.464 122.878 121.300 0.191 0.000 2.338 13 W HA 0.407 5.143 4.660 0.127 0.000 0.307 13 W C -0.046 176.655 176.519 0.303 0.000 1.167 13 W CA 0.018 57.450 57.345 0.147 0.000 1.208 13 W CB -0.443 29.094 29.460 0.128 0.000 1.228 13 W HN 0.304 nan 8.180 nan 0.000 0.499 14 F N 0.414 120.602 119.950 0.397 0.000 2.662 14 F HA 0.936 5.537 4.527 0.124 0.000 0.312 14 F C -0.340 175.619 175.800 0.266 0.000 1.113 14 F CA -1.809 56.400 58.000 0.348 0.000 0.951 14 F CB 1.295 40.519 39.000 0.374 0.000 1.344 14 F HN 0.368 nan 8.300 nan 0.000 0.462 15 G N 1.427 110.455 108.800 0.380 0.000 2.667 15 G HA2 0.650 4.684 3.960 0.122 0.000 0.298 15 G HA3 0.650 4.684 3.960 0.122 0.000 0.298 15 G C -1.789 173.326 174.900 0.359 0.000 1.377 15 G CA -1.179 44.068 45.100 0.244 0.000 0.964 15 G HN 1.048 nan 8.290 nan 0.000 0.493 16 M N 0.654 120.424 119.600 0.283 0.000 2.518 16 M HA 0.698 5.251 4.480 0.122 0.000 0.300 16 M C -2.082 174.275 176.300 0.095 0.000 1.175 16 M CA -0.951 54.462 55.300 0.189 0.000 0.890 16 M CB 3.003 35.699 32.600 0.160 0.000 1.710 16 M HN 0.335 nan 8.290 nan 0.000 0.453 17 D N 3.346 123.769 120.400 0.038 0.000 2.453 17 D HA 0.496 5.210 4.640 0.122 0.000 0.238 17 D C -1.412 174.840 176.300 -0.080 0.000 1.088 17 D CA -0.286 53.709 54.000 -0.008 0.000 0.854 17 D CB 1.010 41.812 40.800 0.003 0.000 1.076 17 D HN 0.742 nan 8.370 nan 0.000 0.533 18 I N 3.524 124.043 120.570 -0.084 0.000 2.291 18 I HA 0.390 4.634 4.170 0.122 0.000 0.290 18 I C 1.313 177.377 176.117 -0.089 0.000 1.050 18 I CA -0.583 60.640 61.300 -0.129 0.000 1.245 18 I CB 1.480 39.403 38.000 -0.129 0.000 1.405 18 I HN 0.295 nan 8.210 nan 0.000 0.478 19 G N 3.414 112.151 108.800 -0.106 0.000 2.543 19 G HA2 0.355 4.388 3.960 0.122 0.000 0.290 19 G HA3 0.355 4.388 3.960 0.122 0.000 0.290 19 G C 1.029 175.906 174.900 -0.039 0.000 1.310 19 G CA -0.102 44.960 45.100 -0.064 0.000 1.025 19 G HN 0.697 nan 8.290 nan 0.000 0.502 20 G N -1.965 106.826 108.800 -0.015 0.000 2.422 20 G HA2 -0.032 4.002 3.960 0.122 0.000 0.218 20 G HA3 -0.032 4.002 3.960 0.122 0.000 0.218 20 G C 1.379 176.280 174.900 0.003 0.000 1.140 20 G CA 1.890 46.995 45.100 0.007 0.000 0.775 20 G HN 0.755 nan 8.290 nan 0.000 0.545 21 T N -1.264 113.280 114.554 -0.017 0.000 2.987 21 T HA 0.427 4.850 4.350 0.122 0.000 0.248 21 T C 0.444 175.114 174.700 -0.050 0.000 0.997 21 T CA -0.207 61.883 62.100 -0.016 0.000 1.013 21 T CB 0.011 68.879 68.868 -0.001 0.000 1.077 21 T HN 0.003 nan 8.240 nan 0.000 0.483 22 L N 1.703 122.870 121.223 -0.093 0.000 2.370 22 L HA 0.714 5.127 4.340 0.122 0.000 0.266 22 L C -1.068 175.640 176.870 -0.270 0.000 1.002 22 L CA -1.255 53.485 54.840 -0.167 0.000 0.818 22 L CB 2.600 44.584 42.059 -0.126 0.000 1.325 22 L HN -0.146 nan 8.230 nan 0.000 0.418 23 V N 1.768 121.380 119.914 -0.503 0.000 2.483 23 V HA 0.373 4.567 4.120 0.122 0.000 0.295 23 V C -0.288 175.508 176.094 -0.496 0.000 1.035 23 V CA -0.777 61.160 62.300 -0.604 0.000 0.896 23 V CB 1.778 32.948 31.823 -1.088 0.000 0.986 23 V HN 0.598 nan 8.190 nan 0.000 0.447 24 K N 3.936 124.189 120.400 -0.245 0.000 2.265 24 K HA 0.677 5.071 4.320 0.122 0.000 0.267 24 K C -1.083 175.595 176.600 0.131 0.000 0.994 24 K CA -0.303 55.969 56.287 -0.025 0.000 0.860 24 K CB 1.697 34.104 32.500 -0.154 0.000 1.099 24 K HN 0.532 nan 8.250 nan 0.000 0.448 25 L N 1.654 123.056 121.223 0.299 0.000 2.362 25 L HA 0.525 4.938 4.340 0.122 0.000 0.275 25 L C -0.907 176.187 176.870 0.372 0.000 0.998 25 L CA -0.138 54.891 54.840 0.314 0.000 0.820 25 L CB 2.046 44.270 42.059 0.276 0.000 1.270 25 L HN 0.547 nan 8.230 nan 0.000 0.415 26 S N 3.195 119.092 115.700 0.329 0.000 2.501 26 S HA 0.770 5.313 4.470 0.122 0.000 0.301 26 S C -1.357 173.421 174.600 0.296 0.000 1.096 26 S CA -0.352 57.919 58.200 0.117 0.000 1.063 26 S CB 0.803 64.054 63.200 0.084 0.000 1.042 26 S HN 0.570 nan 8.310 nan 0.000 0.494 27 Y N 1.712 122.069 120.300 0.095 0.000 2.534 27 Y HA 0.745 5.369 4.550 0.123 0.000 0.345 27 Y C -1.556 174.494 175.900 0.251 0.000 1.031 27 Y CA -1.606 56.640 58.100 0.243 0.000 1.022 27 Y CB 0.657 39.254 38.460 0.228 0.000 1.292 27 Y HN 0.515 nan 8.280 nan 0.000 0.459 28 F N 3.253 123.372 119.950 0.282 0.000 2.410 28 F HA 0.425 5.027 4.527 0.125 0.000 0.349 28 F C -0.158 175.754 175.800 0.187 0.000 1.117 28 F CA -0.651 57.459 58.000 0.183 0.000 1.104 28 F CB 1.208 40.386 39.000 0.297 0.000 1.122 28 F HN 0.763 nan 8.300 nan 0.000 0.483 29 E N 9.048 128.996 120.200 -0.420 0.000 2.063 29 E HA 0.334 4.757 4.350 0.122 0.000 0.265 29 E C -2.678 173.461 176.600 -0.768 0.000 0.919 29 E CA -2.622 53.566 56.400 -0.353 0.000 0.756 29 E CB 0.881 30.561 29.700 -0.034 0.000 1.120 29 E HN 0.277 nan 8.360 nan 0.000 0.414 30 P HA 0.029 nan 4.420 nan 0.000 0.269 30 P C 0.302 177.457 177.300 -0.241 0.000 1.209 30 P CA 0.175 62.986 63.100 -0.481 0.000 0.776 30 P CB 1.275 32.858 31.700 -0.195 0.000 0.876 31 I N 0.600 121.088 120.570 -0.136 0.000 2.731 31 I HA 0.026 4.270 4.170 0.122 0.000 0.260 31 I C 0.512 176.614 176.117 -0.025 0.000 1.138 31 I CA 0.906 62.168 61.300 -0.062 0.000 1.461 31 I CB 0.027 38.011 38.000 -0.027 0.000 1.128 31 I HN 0.175 nan 8.210 nan 0.000 0.438 32 D N 2.649 123.048 120.400 -0.002 0.000 2.499 32 D HA 0.367 5.080 4.640 0.122 0.000 0.225 32 D C -0.317 175.984 176.300 0.001 0.000 1.124 32 D CA 0.152 54.159 54.000 0.011 0.000 0.938 32 D CB 0.967 41.789 40.800 0.037 0.000 1.014 32 D HN 0.145 nan 8.370 nan 0.000 0.517 33 I N 1.111 121.673 120.570 -0.012 0.000 2.336 33 I HA 0.106 4.350 4.170 0.122 0.000 0.292 33 I C 1.630 177.742 176.117 -0.009 0.000 0.991 33 I CA -0.247 61.041 61.300 -0.019 0.000 1.227 33 I CB 1.805 39.786 38.000 -0.032 0.000 1.366 33 I HN 0.142 nan 8.210 nan 0.000 0.466 34 T N 1.266 115.816 114.554 -0.006 0.000 2.969 34 T HA 0.368 4.791 4.350 0.122 0.000 0.250 34 T C 0.606 175.305 174.700 -0.003 0.000 1.021 34 T CA -0.124 61.976 62.100 -0.001 0.000 1.003 34 T CB 0.406 69.278 68.868 0.005 0.000 1.040 34 T HN 0.512 nan 8.240 nan 0.000 0.492 35 A N 1.476 124.292 122.820 -0.007 0.000 2.290 35 A HA 0.656 5.049 4.320 0.122 0.000 0.310 35 A C 1.118 178.697 177.584 -0.009 0.000 1.202 35 A CA -0.455 51.578 52.037 -0.006 0.000 0.837 35 A CB 1.153 20.149 19.000 -0.006 0.000 1.139 35 A HN 0.249 nan 8.150 nan 0.000 0.509 36 E N 1.828 122.025 120.200 -0.005 0.000 2.118 36 E HA -0.228 4.195 4.350 0.122 0.000 0.195 36 E C 1.216 177.814 176.600 -0.004 0.000 0.992 36 E CA 2.419 58.816 56.400 -0.005 0.000 0.804 36 E CB -0.070 29.629 29.700 -0.002 0.000 0.741 36 E HN 0.811 nan 8.360 nan 0.000 0.458 37 E N 0.261 120.460 120.200 -0.001 0.000 2.153 37 E HA -0.178 4.245 4.350 0.122 0.000 0.194 37 E C 1.933 178.532 176.600 -0.002 0.000 0.988 37 E CA 1.340 57.742 56.400 0.005 0.000 0.811 37 E CB -0.158 29.548 29.700 0.010 0.000 0.746 37 E HN 0.448 nan 8.360 nan 0.000 0.466 38 E N 0.321 120.509 120.200 -0.020 0.000 2.107 38 E HA -0.239 4.184 4.350 0.122 0.000 0.191 38 E C 2.021 178.596 176.600 -0.043 0.000 0.982 38 E CA 0.767 57.140 56.400 -0.045 0.000 0.809 38 E CB 0.104 29.767 29.700 -0.062 0.000 0.756 38 E HN 0.058 nan 8.360 nan 0.000 0.459 39 Q N 1.159 120.943 119.800 -0.028 0.000 2.096 39 Q HA -0.207 4.206 4.340 0.122 0.000 0.204 39 Q C 1.603 177.595 176.000 -0.013 0.000 0.982 39 Q CA 2.059 57.848 55.803 -0.023 0.000 0.850 39 Q CB -0.012 28.717 28.738 -0.015 0.000 0.901 39 Q HN 0.355 nan 8.270 nan 0.000 0.422 40 E N -0.202 119.997 120.200 -0.002 0.000 2.106 40 E HA -0.183 4.241 4.350 0.122 0.000 0.192 40 E C 1.980 178.603 176.600 0.038 0.000 0.984 40 E CA 1.045 57.453 56.400 0.013 0.000 0.806 40 E CB -0.051 29.659 29.700 0.015 0.000 0.750 40 E HN 0.468 nan 8.360 nan 0.000 0.458 41 E N 0.236 120.459 120.200 0.039 0.000 2.085 41 E HA -0.199 4.225 4.350 0.122 0.000 0.194 41 E C 2.160 178.743 176.600 -0.029 0.000 0.994 41 E CA 1.228 57.653 56.400 0.042 0.000 0.801 41 E CB 0.047 29.694 29.700 -0.089 0.000 0.743 41 E HN 0.082 nan 8.360 nan 0.000 0.453 42 V N 1.340 121.222 119.914 -0.053 0.000 2.343 42 V HA -0.257 3.936 4.120 0.122 0.000 0.247 42 V C 1.951 178.029 176.094 -0.028 0.000 1.051 42 V CA 1.902 64.169 62.300 -0.055 0.000 1.036 42 V CB -0.420 31.371 31.823 -0.054 0.000 0.654 42 V HN 0.261 nan 8.190 nan 0.000 0.451 43 E N -0.113 120.081 120.200 -0.010 0.000 2.106 43 E HA -0.155 4.269 4.350 0.122 0.000 0.192 43 E C 2.412 179.012 176.600 -0.001 0.000 0.984 43 E CA 1.411 57.809 56.400 -0.004 0.000 0.806 43 E CB -0.211 29.488 29.700 -0.002 0.000 0.750 43 E HN 0.505 nan 8.360 nan 0.000 0.458 44 S N 1.115 116.832 115.700 0.028 0.000 2.359 44 S HA -0.145 4.399 4.470 0.122 0.000 0.224 44 S C 2.031 176.648 174.600 0.028 0.000 1.035 44 S CA 0.909 59.138 58.200 0.048 0.000 1.018 44 S CB -0.223 63.077 63.200 0.168 0.000 0.876 44 S HN 0.176 nan 8.310 nan 0.000 0.448 45 L N 1.265 122.488 121.223 0.000 0.000 2.046 45 L HA -0.151 4.262 4.340 0.122 0.000 0.208 45 L C 2.546 179.293 176.870 -0.206 0.000 1.077 45 L CA 1.364 56.090 54.840 -0.191 0.000 0.747 45 L CB -0.445 41.386 42.059 -0.380 0.000 0.896 45 L HN 0.281 nan 8.230 nan 0.000 0.432 46 K N -0.108 120.235 120.400 -0.096 0.000 2.032 46 K HA -0.180 4.214 4.320 0.122 0.000 0.209 46 K C 2.227 178.817 176.600 -0.017 0.000 1.048 46 K CA 1.856 58.119 56.287 -0.039 0.000 0.927 46 K CB 0.005 32.499 32.500 -0.009 0.000 0.712 46 K HN 0.153 nan 8.250 nan 0.000 0.441 47 S N 1.000 116.690 115.700 -0.017 0.000 2.368 47 S HA -0.108 4.435 4.470 0.122 0.000 0.225 47 S C 1.910 176.515 174.600 0.008 0.000 1.030 47 S CA 1.371 59.569 58.200 -0.003 0.000 0.999 47 S CB -0.269 62.919 63.200 -0.021 0.000 0.844 47 S HN 0.274 nan 8.310 nan 0.000 0.459 48 I N 1.384 121.936 120.570 -0.029 0.000 2.163 48 I HA -0.242 4.001 4.170 0.122 0.000 0.243 48 I C 2.845 178.966 176.117 0.005 0.000 1.085 48 I CA 1.325 62.614 61.300 -0.020 0.000 1.347 48 I CB -0.351 37.626 38.000 -0.039 0.000 1.044 48 I HN 0.232 nan 8.210 nan 0.000 0.408 49 R N 1.372 121.851 120.500 -0.035 0.000 2.083 49 R HA -0.191 4.223 4.340 0.122 0.000 0.237 49 R C 2.251 178.582 176.300 0.053 0.000 1.137 49 R CA 1.510 57.621 56.100 0.019 0.000 0.951 49 R CB -0.107 30.242 30.300 0.081 0.000 0.851 49 R HN 0.268 nan 8.270 nan 0.000 0.434 50 K N -0.135 120.299 120.400 0.057 0.000 2.063 50 K HA -0.213 4.180 4.320 0.122 0.000 0.208 50 K C 2.039 178.673 176.600 0.057 0.000 1.048 50 K CA 1.428 57.751 56.287 0.060 0.000 0.928 50 K CB -0.751 31.784 32.500 0.058 0.000 0.713 50 K HN 0.314 nan 8.250 nan 0.000 0.442 51 Y N 1.891 122.172 120.300 -0.031 0.000 2.114 51 Y HA -0.179 4.444 4.550 0.122 0.000 0.284 51 Y C 2.110 177.983 175.900 -0.044 0.000 1.143 51 Y CA 1.467 59.544 58.100 -0.038 0.000 1.135 51 Y CB -0.402 38.023 38.460 -0.058 0.000 0.980 51 Y HN -0.090 nan 8.280 nan 0.000 0.499 52 L N -0.381 120.813 121.223 -0.049 0.000 2.201 52 L HA -0.142 4.272 4.340 0.122 0.000 0.212 52 L C 2.051 178.870 176.870 -0.085 0.000 1.105 52 L CA 1.733 56.471 54.840 -0.171 0.000 0.775 52 L CB -0.706 41.123 42.059 -0.383 0.000 0.913 52 L HN 0.412 nan 8.230 nan 0.000 0.440 53 T N -4.924 109.614 114.554 -0.026 0.000 3.163 53 T HA 0.170 4.594 4.350 0.122 0.000 0.252 53 T C 0.767 175.460 174.700 -0.011 0.000 1.056 53 T CA -0.339 61.782 62.100 0.035 0.000 0.947 53 T CB 0.072 68.995 68.868 0.093 0.000 1.016 53 T HN -0.007 nan 8.240 nan 0.000 0.554 54 S N 3.024 118.668 115.700 -0.093 0.000 2.603 54 S HA 0.375 4.918 4.470 0.122 0.000 0.268 54 S C 0.439 174.986 174.600 -0.088 0.000 1.317 54 S CA -0.583 57.557 58.200 -0.100 0.000 1.012 54 S CB 0.348 63.443 63.200 -0.174 0.000 0.926 54 S HN 0.791 nan 8.310 nan 0.000 0.539 64 R N 1.097 121.651 120.500 0.090 0.000 2.083 64 R HA -0.197 4.216 4.340 0.122 0.000 0.237 64 R C 1.787 178.177 176.300 0.149 0.000 1.137 64 R CA 2.332 58.495 56.100 0.104 0.000 0.951 64 R CB -1.658 28.685 30.300 0.072 0.000 0.851 64 R HN 0.782 nan 8.270 nan 0.000 0.434 65 D N 0.211 120.697 120.400 0.142 0.000 2.144 65 D HA -0.088 4.625 4.640 0.122 0.000 0.199 65 D C 2.015 178.402 176.300 0.145 0.000 0.984 65 D CA 1.481 55.562 54.000 0.135 0.000 0.834 65 D CB -0.364 40.549 40.800 0.189 0.000 0.955 65 D HN 0.231 nan 8.370 nan 0.000 0.465 66 V N 1.004 121.016 119.914 0.163 0.000 2.287 66 V HA -0.248 3.945 4.120 0.122 0.000 0.248 66 V C 2.403 178.603 176.094 0.178 0.000 1.053 66 V CA 1.678 64.078 62.300 0.166 0.000 1.027 66 V CB -0.619 31.294 31.823 0.150 0.000 0.646 66 V HN 0.425 nan 8.190 nan 0.000 0.447 67 H N -0.408 118.726 119.070 0.105 0.000 2.489 67 H HA -0.086 4.543 4.556 0.122 0.000 0.293 67 H C 2.046 177.529 175.328 0.257 0.000 1.066 67 H CA 1.287 57.415 56.048 0.133 0.000 1.305 67 H CB 0.105 29.919 29.762 0.088 0.000 1.386 67 H HN 0.380 nan 8.280 nan 0.000 0.551 68 L N 0.840 122.121 121.223 0.097 0.000 2.395 68 L HA -0.011 4.402 4.340 0.122 0.000 0.218 68 L C 1.165 178.165 176.870 0.217 0.000 1.130 68 L CA 0.190 54.992 54.840 -0.064 0.000 0.826 68 L CB -0.216 41.596 42.059 -0.412 0.000 0.941 68 L HN 0.244 nan 8.230 nan 0.000 0.451 69 E N 1.829 122.155 120.200 0.211 0.000 2.765 69 E HA -0.085 4.339 4.350 0.122 0.000 0.256 69 E C -0.631 176.055 176.600 0.143 0.000 0.935 69 E CA 0.040 56.499 56.400 0.098 0.000 0.954 69 E CB 0.415 30.038 29.700 -0.128 0.000 0.908 69 E HN 0.253 nan 8.360 nan 0.000 0.500 70 L N 5.339 126.632 121.223 0.116 0.000 2.264 70 L HA 0.332 4.745 4.340 0.122 0.000 0.289 70 L C 0.229 177.106 176.870 0.011 0.000 1.044 70 L CA -0.420 54.480 54.840 0.099 0.000 0.807 70 L CB 1.076 43.184 42.059 0.082 0.000 1.192 70 L HN 0.421 nan 8.230 nan 0.000 0.425 71 K N 1.865 122.285 120.400 0.034 0.000 2.138 71 K HA 0.198 4.591 4.320 0.122 0.000 0.263 71 K C -0.220 176.398 176.600 0.031 0.000 0.965 71 K CA -0.547 55.741 56.287 0.002 0.000 0.868 71 K CB 0.933 33.433 32.500 0.000 0.000 1.083 71 K HN 0.468 nan 8.250 nan 0.000 0.443 72 D N 1.950 122.366 120.400 0.027 0.000 2.697 72 D HA -0.153 4.560 4.640 0.122 0.000 0.238 72 D C -0.959 175.390 176.300 0.082 0.000 1.152 72 D CA 0.639 54.670 54.000 0.051 0.000 0.666 72 D CB -0.762 40.060 40.800 0.037 0.000 1.037 72 D HN 0.309 nan 8.370 nan 0.000 0.423 73 L N -2.543 118.756 121.223 0.125 0.000 2.440 73 L HA 0.838 5.251 4.340 0.122 0.000 0.262 73 L C 0.509 177.507 176.870 0.212 0.000 1.072 73 L CA -0.378 54.548 54.840 0.143 0.000 0.798 73 L CB 0.495 42.635 42.059 0.135 0.000 1.307 73 L HN -0.074 nan 8.230 nan 0.000 0.475 74 T N 2.220 116.878 114.554 0.175 0.000 2.779 74 T HA 0.672 5.095 4.350 0.122 0.000 0.280 74 T C -0.993 173.797 174.700 0.149 0.000 0.987 74 T CA -0.054 62.153 62.100 0.178 0.000 0.966 74 T CB 1.084 70.023 68.868 0.118 0.000 0.933 74 T HN 0.602 nan 8.240 nan 0.000 0.442 75 L N 4.372 125.621 121.223 0.043 0.000 2.376 75 L HA 0.577 4.990 4.340 0.122 0.000 0.275 75 L C -0.442 176.342 176.870 -0.144 0.000 0.987 75 L CA -0.582 54.106 54.840 -0.253 0.000 0.828 75 L CB 0.194 41.905 42.059 -0.581 0.000 1.249 75 L HN 0.820 nan 8.230 nan 0.000 0.409 76 F N 5.335 125.189 119.950 -0.159 0.000 3.048 76 F HA -0.158 4.442 4.527 0.123 0.000 0.269 76 F C 1.587 177.401 175.800 0.023 0.000 0.960 76 F CA 1.099 59.010 58.000 -0.149 0.000 0.909 76 F CB -1.443 37.305 39.000 -0.419 0.000 0.837 76 F HN 0.934 nan 8.300 nan 0.000 0.768 77 G N -0.380 108.516 108.800 0.160 0.000 2.205 77 G HA2 -0.338 3.695 3.960 0.122 0.000 0.261 77 G HA3 -0.338 3.695 3.960 0.122 0.000 0.261 77 G C 0.307 175.321 174.900 0.190 0.000 0.980 77 G CA 0.178 45.374 45.100 0.160 0.000 0.632 77 G HN 0.524 nan 8.290 nan 0.000 0.533 78 R N 0.338 120.989 120.500 0.253 0.000 2.514 78 R HA 0.544 4.957 4.340 0.122 0.000 0.301 78 R C 0.298 176.829 176.300 0.385 0.000 0.962 78 R CA -0.907 55.380 56.100 0.312 0.000 0.882 78 R CB 1.253 31.800 30.300 0.412 0.000 1.143 78 R HN 0.176 nan 8.270 nan 0.000 0.452 79 R N 0.798 121.479 120.500 0.302 0.000 2.490 79 R HA 0.410 4.823 4.340 0.122 0.000 0.280 79 R C 0.283 176.767 176.300 0.307 0.000 1.077 79 R CA 0.056 56.321 56.100 0.274 0.000 1.065 79 R CB 1.206 31.591 30.300 0.142 0.000 1.003 79 R HN 0.869 nan 8.270 nan 0.000 0.470 80 G N 1.293 110.242 108.800 0.249 0.000 2.430 80 G HA2 0.138 4.171 3.960 0.122 0.000 0.300 80 G HA3 0.138 4.171 3.960 0.122 0.000 0.300 80 G C -1.688 173.165 174.900 -0.078 0.000 1.330 80 G CA -0.815 44.167 45.100 -0.197 0.000 0.813 80 G HN 0.472 nan 8.290 nan 0.000 0.487 81 N N -0.303 118.230 118.700 -0.279 0.000 2.362 81 N HA 0.564 5.377 4.740 0.122 0.000 0.298 81 N C -1.405 173.991 175.510 -0.190 0.000 1.048 81 N CA -0.480 52.460 53.050 -0.184 0.000 0.858 81 N CB 2.547 40.894 38.487 -0.235 0.000 1.218 81 N HN 0.370 nan 8.380 nan 0.000 0.488 82 L N 2.783 123.905 121.223 -0.169 0.000 2.287 82 L HA 0.330 4.744 4.340 0.122 0.000 0.287 82 L C -0.306 176.142 176.870 -0.703 0.000 1.022 82 L CA -0.368 54.313 54.840 -0.265 0.000 0.814 82 L CB 0.272 42.283 42.059 -0.081 0.000 1.217 82 L HN 0.467 nan 8.230 nan 0.000 0.420 83 H N 4.710 123.249 119.070 -0.885 0.000 2.502 83 H HA 0.449 5.078 4.556 0.122 0.000 0.338 83 H C -1.278 173.390 175.328 -1.101 0.000 1.155 83 H CA -0.232 55.280 56.048 -0.893 0.000 1.237 83 H CB 1.474 30.514 29.762 -1.202 0.000 1.534 83 H HN 0.412 nan 8.280 nan 0.000 0.523 84 F N 2.536 122.379 119.950 -0.178 0.000 2.507 84 F HA 0.381 4.980 4.527 0.120 0.000 0.328 84 F C 0.285 176.003 175.800 -0.136 0.000 1.136 84 F CA -0.792 56.977 58.000 -0.386 0.000 0.930 84 F CB 1.365 39.735 39.000 -1.050 0.000 1.166 84 F HN 0.351 nan 8.300 nan 0.000 0.436 85 I N 0.895 121.631 120.570 0.277 0.000 2.969 85 I HA 0.807 5.051 4.170 0.122 0.000 0.307 85 I C -1.303 175.101 176.117 0.478 0.000 1.149 85 I CA -1.231 60.296 61.300 0.378 0.000 1.008 85 I CB 2.822 41.040 38.000 0.364 0.000 1.232 85 I HN 0.697 nan 8.210 nan 0.000 0.435 86 R N 3.339 124.068 120.500 0.381 0.000 2.686 86 R HA 0.811 5.224 4.340 0.122 0.000 0.283 86 R C -2.004 174.444 176.300 0.247 0.000 0.978 86 R CA -0.527 55.698 56.100 0.208 0.000 0.897 86 R CB 1.984 32.363 30.300 0.131 0.000 1.192 86 R HN 0.812 nan 8.270 nan 0.000 0.457 87 F N -1.351 118.620 119.950 0.034 0.000 2.668 87 F HA 0.648 5.248 4.527 0.123 0.000 0.309 87 F C -3.024 172.775 175.800 -0.003 0.000 1.117 87 F CA -3.166 54.840 58.000 0.011 0.000 0.951 87 F CB 0.955 39.957 39.000 0.003 0.000 1.323 87 F HN 0.349 nan 8.300 nan 0.000 0.451 88 P HA 0.152 nan 4.420 nan 0.000 0.268 88 P C 0.559 177.897 177.300 0.065 0.000 1.205 88 P CA 0.126 63.269 63.100 0.072 0.000 0.771 88 P CB 0.923 32.688 31.700 0.109 0.000 0.858 89 T N 1.052 115.587 114.554 -0.032 0.000 2.803 89 T HA -0.196 4.227 4.350 0.122 0.000 0.269 89 T C 1.505 176.269 174.700 0.108 0.000 1.052 89 T CA 1.433 63.518 62.100 -0.024 0.000 1.136 89 T CB -0.453 68.391 68.868 -0.038 0.000 0.864 89 T HN 0.450 nan 8.240 nan 0.000 0.467 90 Q N 1.370 121.245 119.800 0.125 0.000 2.197 90 Q HA -0.099 4.315 4.340 0.122 0.000 0.207 90 Q C 1.659 177.779 176.000 0.200 0.000 0.984 90 Q CA 1.269 57.164 55.803 0.153 0.000 0.869 90 Q CB -0.247 28.562 28.738 0.119 0.000 0.906 90 Q HN 0.548 nan 8.270 nan 0.000 0.426 91 D N -0.954 119.596 120.400 0.250 0.000 2.340 91 D HA 0.011 4.724 4.640 0.122 0.000 0.217 91 D C 1.314 177.815 176.300 0.335 0.000 1.081 91 D CA -0.095 54.076 54.000 0.283 0.000 0.842 91 D CB 0.278 41.239 40.800 0.268 0.000 0.934 91 D HN 0.139 nan 8.370 nan 0.000 0.511 92 L N 1.858 123.292 121.223 0.352 0.000 2.046 92 L HA -0.049 4.364 4.340 0.122 0.000 0.208 92 L C -0.926 176.156 176.870 0.355 0.000 1.077 92 L CA 2.072 57.098 54.840 0.310 0.000 0.747 92 L CB -1.184 40.783 42.059 -0.154 0.000 0.896 92 L HN -0.084 nan 8.230 nan 0.000 0.432 93 P HA -0.124 nan 4.420 nan 0.000 0.215 93 P C 1.633 179.052 177.300 0.198 0.000 1.153 93 P CA 1.814 65.134 63.100 0.366 0.000 0.853 93 P CB -0.192 31.679 31.700 0.284 0.000 0.788 94 T N -0.619 114.033 114.554 0.162 0.000 2.665 94 T HA -0.213 4.210 4.350 0.122 0.000 0.268 94 T C 1.443 176.146 174.700 0.005 0.000 1.035 94 T CA 1.377 63.510 62.100 0.055 0.000 1.151 94 T CB -1.076 67.834 68.868 0.070 0.000 0.862 94 T HN 0.074 nan 8.240 nan 0.000 0.438 95 F N 1.845 121.757 119.950 -0.063 0.000 2.102 95 F HA -0.086 4.515 4.527 0.122 0.000 0.298 95 F C 1.912 177.647 175.800 -0.107 0.000 1.105 95 F CA 0.923 58.837 58.000 -0.143 0.000 1.239 95 F CB -0.393 38.508 39.000 -0.165 0.000 0.991 95 F HN 0.009 nan 8.300 nan 0.000 0.474 96 I N 0.575 121.102 120.570 -0.072 0.000 2.163 96 I HA -0.281 3.963 4.170 0.122 0.000 0.243 96 I C 2.411 178.397 176.117 -0.219 0.000 1.085 96 I CA 1.487 62.706 61.300 -0.134 0.000 1.347 96 I CB -1.635 36.475 38.000 0.183 0.000 1.044 96 I HN 0.289 nan 8.210 nan 0.000 0.408 97 Q N 0.625 120.340 119.800 -0.142 0.000 2.124 97 Q HA -0.147 4.266 4.340 0.122 0.000 0.202 97 Q C 2.268 178.098 176.000 -0.283 0.000 0.977 97 Q CA 1.662 57.365 55.803 -0.167 0.000 0.850 97 Q CB -0.242 28.433 28.738 -0.106 0.000 0.901 97 Q HN 0.419 nan 8.270 nan 0.000 0.429 98 M N -1.203 118.181 119.600 -0.360 0.000 2.080 98 M HA -0.121 4.432 4.480 0.122 0.000 0.260 98 M C 2.037 177.933 176.300 -0.674 0.000 1.068 98 M CA 1.781 56.808 55.300 -0.455 0.000 1.109 98 M CB -0.685 31.656 32.600 -0.432 0.000 1.342 98 M HN 0.422 nan 8.290 nan 0.000 0.405 99 G N -0.150 108.151 108.800 -0.830 0.000 2.440 99 G HA2 -0.213 3.820 3.960 0.122 0.000 0.218 99 G HA3 -0.213 3.820 3.960 0.122 0.000 0.218 99 G C 1.630 176.110 174.900 -0.700 0.000 1.154 99 G CA 0.747 45.212 45.100 -1.059 0.000 0.767 99 G HN 0.385 nan 8.290 nan 0.000 0.552 100 R N 0.079 120.337 120.500 -0.404 0.000 2.092 100 R HA -0.025 4.389 4.340 0.122 0.000 0.231 100 R C 2.126 178.277 176.300 -0.247 0.000 1.119 100 R CA 1.314 57.270 56.100 -0.240 0.000 0.970 100 R CB -0.156 30.055 30.300 -0.148 0.000 0.864 100 R HN 0.225 nan 8.270 nan 0.000 0.440 101 D N 0.345 120.569 120.400 -0.293 0.000 2.178 101 D HA -0.088 4.625 4.640 0.122 0.000 0.202 101 D C 1.150 177.289 176.300 -0.269 0.000 0.974 101 D CA 1.055 54.910 54.000 -0.243 0.000 0.841 101 D CB 0.085 40.749 40.800 -0.227 0.000 0.953 101 D HN -0.068 nan 8.370 nan 0.000 0.478 102 K N 0.984 121.123 120.400 -0.435 0.000 2.476 102 K HA 0.083 4.476 4.320 0.122 0.000 0.196 102 K C -0.013 176.430 176.600 -0.263 0.000 1.025 102 K CA -0.179 55.860 56.287 -0.413 0.000 1.138 102 K CB -0.175 31.923 32.500 -0.671 0.000 0.860 102 K HN 0.072 nan 8.250 nan 0.000 0.515 103 N N 0.850 119.433 118.700 -0.197 0.000 2.725 103 N HA -0.203 4.610 4.740 0.122 0.000 0.249 103 N C -0.662 174.948 175.510 0.165 0.000 1.103 103 N CA 0.646 53.683 53.050 -0.021 0.000 0.707 103 N CB -1.829 36.664 38.487 0.010 0.000 1.043 103 N HN 0.318 nan 8.380 nan 0.000 0.553 104 F N 0.952 120.880 119.950 -0.037 0.000 2.541 104 F HA -0.028 4.573 4.527 0.123 0.000 0.378 104 F C 2.104 177.933 175.800 0.048 0.000 1.068 104 F CA -0.249 57.756 58.000 0.007 0.000 1.199 104 F CB 0.522 39.522 39.000 -0.000 0.000 1.091 104 F HN 0.078 nan 8.300 nan 0.000 0.555 105 S N -0.328 115.511 115.700 0.230 0.000 2.515 105 S HA -0.149 4.394 4.470 0.122 0.000 0.231 105 S C 1.610 176.319 174.600 0.182 0.000 0.987 105 S CA 0.953 59.249 58.200 0.161 0.000 0.936 105 S CB -0.723 62.544 63.200 0.112 0.000 0.766 105 S HN 0.795 nan 8.310 nan 0.000 0.528 106 T N -0.201 114.505 114.554 0.253 0.000 3.113 106 T HA 0.297 4.720 4.350 0.122 0.000 0.256 106 T C 0.992 175.901 174.700 0.348 0.000 1.131 106 T CA 0.177 62.441 62.100 0.274 0.000 1.074 106 T CB -0.406 68.647 68.868 0.307 0.000 0.944 106 T HN 0.410 nan 8.240 nan 0.000 0.516 107 L N 0.268 121.686 121.223 0.325 0.000 3.017 107 L HA 0.378 4.791 4.340 0.122 0.000 0.255 107 L C 2.086 179.040 176.870 0.140 0.000 1.247 107 L CA -0.115 54.876 54.840 0.251 0.000 1.038 107 L CB 0.144 42.313 42.059 0.183 0.000 1.380 107 L HN 0.181 nan 8.230 nan 0.000 0.548 108 Q N -0.913 118.964 119.800 0.128 0.000 2.204 108 Q HA 0.001 4.414 4.340 0.122 0.000 0.198 108 Q C 1.292 177.328 176.000 0.059 0.000 0.946 108 Q CA 1.344 57.193 55.803 0.078 0.000 0.859 108 Q CB 0.661 29.443 28.738 0.074 0.000 0.946 108 Q HN 0.368 nan 8.270 nan 0.000 0.474 109 T N -1.054 113.549 114.554 0.082 0.000 3.221 109 T HA 0.211 4.634 4.350 0.122 0.000 0.250 109 T C -0.519 174.247 174.700 0.111 0.000 0.988 109 T CA 0.030 62.178 62.100 0.080 0.000 1.163 109 T CB 1.018 69.945 68.868 0.098 0.000 1.098 109 T HN 0.005 nan 8.240 nan 0.000 0.422 110 V N 1.789 121.791 119.914 0.147 0.000 2.888 110 V HA 0.773 4.966 4.120 0.122 0.000 0.309 110 V C -2.075 174.134 176.094 0.191 0.000 1.114 110 V CA -1.077 61.338 62.300 0.192 0.000 0.940 110 V CB 2.081 34.013 31.823 0.181 0.000 1.021 110 V HN 0.347 nan 8.190 nan 0.000 0.426 111 L N 7.082 128.443 121.223 0.230 0.000 2.305 111 L HA 0.707 5.120 4.340 0.122 0.000 0.284 111 L C -0.676 176.331 176.870 0.229 0.000 1.013 111 L CA 0.148 55.144 54.840 0.260 0.000 0.819 111 L CB 1.061 43.322 42.059 0.336 0.000 1.227 111 L HN 0.776 nan 8.230 nan 0.000 0.417 112 C N 5.489 124.895 119.300 0.177 0.000 2.223 112 C HA 0.893 5.426 4.460 0.122 0.000 0.324 112 C C 0.577 175.636 174.990 0.116 0.000 1.196 112 C CA -0.441 58.677 59.018 0.167 0.000 1.628 112 C CB -0.787 27.045 27.740 0.154 0.000 2.229 112 C HN 0.944 nan 8.230 nan 0.000 0.486 113 A N 3.074 125.943 122.820 0.082 0.000 2.469 113 A HA 0.912 5.306 4.320 0.122 0.000 0.299 113 A C -0.314 177.262 177.584 -0.014 0.000 1.098 113 A CA -0.294 51.779 52.037 0.060 0.000 0.737 113 A CB 1.602 20.650 19.000 0.080 0.000 1.312 113 A HN 0.636 nan 8.150 nan 0.000 0.414 114 T N -0.899 113.652 114.554 -0.006 0.000 2.841 114 T HA 0.790 5.213 4.350 0.122 0.000 0.276 114 T C 0.103 174.778 174.700 -0.041 0.000 1.003 114 T CA 0.646 62.727 62.100 -0.032 0.000 0.995 114 T CB 1.272 70.142 68.868 0.003 0.000 1.260 114 T HN 2.648 nan 8.240 nan 0.000 0.581 115 G N -0.707 108.071 108.800 -0.037 0.000 2.674 115 G HA2 0.204 4.237 3.960 0.122 0.000 0.686 115 G HA3 0.204 4.237 3.960 0.122 0.000 0.686 115 G C 0.675 175.561 174.900 -0.023 0.000 1.195 115 G CA 0.024 45.106 45.100 -0.030 0.000 0.776 115 G HN 1.150 nan 8.290 nan 0.000 0.654 116 G N -0.244 108.556 108.800 -0.000 0.000 2.498 116 G HA2 0.290 4.323 3.960 0.122 0.000 0.219 116 G HA3 0.290 4.323 3.960 0.122 0.000 0.219 116 G C 1.590 176.520 174.900 0.049 0.000 1.119 116 G CA 1.586 46.705 45.100 0.031 0.000 0.766 116 G HN 1.830 nan 8.290 nan 0.000 0.552 117 G N -0.029 108.788 108.800 0.028 0.000 3.042 117 G HA2 0.341 4.374 3.960 0.122 0.000 0.212 117 G HA3 0.341 4.374 3.960 0.122 0.000 0.212 117 G C 1.673 176.627 174.900 0.089 0.000 1.166 117 G CA 1.065 46.200 45.100 0.058 0.000 0.767 117 G HN 0.479 nan 8.290 nan 0.000 0.546 118 A N 0.619 123.457 122.820 0.029 0.000 1.877 118 A HA -0.028 4.365 4.320 0.122 0.000 0.216 118 A C 2.018 179.658 177.584 0.092 0.000 1.186 118 A CA 1.174 53.221 52.037 0.017 0.000 0.620 118 A CB -0.669 18.249 19.000 -0.138 0.000 0.822 118 A HN 0.435 nan 8.150 nan 0.000 0.443 119 Y N 0.061 120.434 120.300 0.122 0.000 2.181 119 Y HA -0.223 4.400 4.550 0.122 0.000 0.288 119 Y C 3.037 179.001 175.900 0.107 0.000 1.146 119 Y CA 1.842 60.004 58.100 0.103 0.000 1.164 119 Y CB -0.177 38.322 38.460 0.065 0.000 0.982 119 Y HN 0.405 nan 8.280 nan 0.000 0.515 120 K N 0.339 120.901 120.400 0.270 0.000 2.103 120 K HA -0.239 4.154 4.320 0.122 0.000 0.207 120 K C 1.757 178.480 176.600 0.205 0.000 1.048 120 K CA 1.842 58.247 56.287 0.196 0.000 0.930 120 K CB -1.730 30.870 32.500 0.166 0.000 0.716 120 K HN 0.559 nan 8.250 nan 0.000 0.444 121 F N 1.164 121.174 119.950 0.101 0.000 2.259 121 F HA -0.027 4.574 4.527 0.122 0.000 0.298 121 F C 2.293 178.156 175.800 0.105 0.000 1.088 121 F CA 1.640 59.697 58.000 0.094 0.000 1.358 121 F CB 0.050 39.102 39.000 0.086 0.000 1.040 121 F HN 0.415 nan 8.300 nan 0.000 0.505 122 E N 1.373 121.597 120.200 0.041 0.000 2.435 122 E HA -0.448 3.975 4.350 0.122 0.000 0.242 122 E C 2.011 178.532 176.600 -0.133 0.000 1.125 122 E CA 3.398 59.800 56.400 0.004 0.000 1.067 122 E CB -0.625 29.163 29.700 0.147 0.000 0.903 122 E HN 0.467 nan 8.360 nan 0.000 0.466 123 K N -0.840 119.459 120.400 -0.169 0.000 2.155 123 K HA -0.014 4.379 4.320 0.122 0.000 0.203 123 K C 2.101 178.577 176.600 -0.206 0.000 1.052 123 K CA 2.078 58.283 56.287 -0.137 0.000 0.948 123 K CB -1.598 30.853 32.500 -0.083 0.000 0.728 123 K HN 0.622 nan 8.250 nan 0.000 0.448 124 D N -0.896 119.262 120.400 -0.403 0.000 2.149 124 D HA 0.286 4.999 4.640 0.122 0.000 0.201 124 D C 1.366 177.505 176.300 -0.269 0.000 0.972 124 D CA 0.976 54.751 54.000 -0.375 0.000 0.835 124 D CB -0.807 39.682 40.800 -0.517 0.000 0.966 124 D HN 0.739 nan 8.370 nan 0.000 0.476 129 G N 1.086 109.861 108.800 -0.042 0.000 2.350 129 G HA2 0.385 4.419 3.960 0.122 0.000 0.304 129 G HA3 0.385 4.419 3.960 0.122 0.000 0.304 129 G C -0.562 174.302 174.900 -0.059 0.000 1.421 129 G CA -0.080 44.994 45.100 -0.042 0.000 0.934 129 G HN 1.103 nan 8.290 nan 0.000 0.632 130 N N -0.342 118.315 118.700 -0.070 0.000 2.451 130 N HA 0.367 5.180 4.740 0.122 0.000 0.264 130 N C -0.501 174.894 175.510 -0.191 0.000 1.167 130 N CA -0.290 52.684 53.050 -0.126 0.000 0.898 130 N CB 0.701 39.133 38.487 -0.093 0.000 1.176 130 N HN 0.168 nan 8.380 nan 0.000 0.507 131 L N 1.691 122.832 121.223 -0.138 0.000 2.296 131 L HA 0.260 4.674 4.340 0.122 0.000 0.286 131 L C -0.100 176.710 176.870 -0.100 0.000 1.023 131 L CA -0.911 53.870 54.840 -0.098 0.000 0.812 131 L CB 0.486 42.579 42.059 0.056 0.000 1.223 131 L HN 0.309 nan 8.230 nan 0.000 0.421 132 H N 3.737 122.868 119.070 0.100 0.000 2.610 132 H HA 0.237 4.866 4.556 0.122 0.000 0.336 132 H C -0.362 175.055 175.328 0.148 0.000 1.087 132 H CA -0.624 55.490 56.048 0.111 0.000 1.405 132 H CB 1.566 31.388 29.762 0.101 0.000 1.460 132 H HN 0.375 nan 8.280 nan 0.000 0.538 133 L N 3.969 125.360 121.223 0.280 0.000 2.281 133 L HA 0.158 4.571 4.340 0.122 0.000 0.285 133 L C -0.297 176.716 176.870 0.238 0.000 1.074 133 L CA -0.388 54.595 54.840 0.237 0.000 0.817 133 L CB 0.255 42.433 42.059 0.198 0.000 1.168 133 L HN 0.551 nan 8.230 nan 0.000 0.434 134 H N 3.348 122.487 119.070 0.115 0.000 2.623 134 H HA 0.399 5.027 4.556 0.121 0.000 0.299 134 H C -0.673 174.672 175.328 0.027 0.000 1.052 134 H CA -0.665 55.427 56.048 0.074 0.000 1.231 134 H CB 0.597 30.397 29.762 0.063 0.000 1.389 134 H HN 0.629 nan 8.280 nan 0.000 0.469 135 K N 5.083 125.275 120.400 -0.346 0.000 2.339 135 K HA 0.247 4.641 4.320 0.122 0.000 0.286 135 K C -1.147 175.233 176.600 -0.366 0.000 1.050 135 K CA -0.191 55.884 56.287 -0.353 0.000 0.956 135 K CB 0.147 32.382 32.500 -0.441 0.000 0.990 135 K HN 0.606 nan 8.250 nan 0.000 0.475 136 L N 3.051 124.153 121.223 -0.201 0.000 2.334 136 L HA 0.341 4.754 4.340 0.122 0.000 0.275 136 L C -0.039 176.796 176.870 -0.057 0.000 1.036 136 L CA -1.171 53.604 54.840 -0.109 0.000 0.807 136 L CB 1.567 43.613 42.059 -0.021 0.000 1.231 136 L HN 0.721 nan 8.230 nan 0.000 0.438 137 D N 0.535 120.926 120.400 -0.014 0.000 2.390 137 D HA -0.036 4.677 4.640 0.122 0.000 0.249 137 D C 0.911 177.227 176.300 0.028 0.000 1.144 137 D CA -0.014 53.996 54.000 0.016 0.000 0.880 137 D CB 1.184 42.009 40.800 0.042 0.000 1.182 137 D HN 0.553 nan 8.370 nan 0.000 0.451 138 E N 3.109 123.325 120.200 0.026 0.000 2.077 138 E HA -0.152 4.271 4.350 0.122 0.000 0.193 138 E C 1.592 178.215 176.600 0.038 0.000 0.989 138 E CA 1.431 57.849 56.400 0.031 0.000 0.800 138 E CB -0.083 29.633 29.700 0.026 0.000 0.746 138 E HN 0.687 nan 8.360 nan 0.000 0.452 139 L N 0.444 121.692 121.223 0.041 0.000 2.072 139 L HA -0.130 4.283 4.340 0.122 0.000 0.205 139 L C 2.010 178.894 176.870 0.023 0.000 1.079 139 L CA 1.235 56.094 54.840 0.033 0.000 0.752 139 L CB -0.535 41.554 42.059 0.050 0.000 0.906 139 L HN 0.139 nan 8.230 nan 0.000 0.436 140 D N -0.147 120.301 120.400 0.080 0.000 2.123 140 D HA -0.172 4.541 4.640 0.122 0.000 0.196 140 D C 2.282 178.601 176.300 0.033 0.000 0.992 140 D CA 1.329 55.394 54.000 0.109 0.000 0.833 140 D CB -0.210 40.688 40.800 0.164 0.000 0.954 140 D HN 0.370 nan 8.370 nan 0.000 0.455 141 C N 0.532 119.856 119.300 0.040 0.000 2.453 141 C HA -0.092 4.441 4.460 0.122 0.000 0.277 141 C C 2.741 177.755 174.990 0.041 0.000 1.262 141 C CA 0.099 59.145 59.018 0.047 0.000 1.718 141 C CB -1.046 26.732 27.740 0.062 0.000 2.031 141 C HN 0.352 nan 8.230 nan 0.000 0.480 142 L N 1.263 122.509 121.223 0.039 0.000 1.997 142 L HA -0.149 4.264 4.340 0.122 0.000 0.216 142 L C 2.407 179.224 176.870 -0.089 0.000 1.074 142 L CA 2.191 57.059 54.840 0.047 0.000 0.763 142 L CB -0.941 41.145 42.059 0.044 0.000 0.890 142 L HN 0.221 nan 8.230 nan 0.000 0.434 143 V N -0.148 119.653 119.914 -0.189 0.000 2.295 143 V HA -0.290 3.903 4.120 0.122 0.000 0.246 143 V C 2.648 178.596 176.094 -0.243 0.000 1.049 143 V CA 2.299 64.395 62.300 -0.339 0.000 1.024 143 V CB -0.739 30.642 31.823 -0.736 0.000 0.648 143 V HN 0.495 nan 8.190 nan 0.000 0.447 144 K N 0.226 120.542 120.400 -0.139 0.000 2.057 144 K HA -0.100 4.293 4.320 0.122 0.000 0.207 144 K C 2.273 178.859 176.600 -0.023 0.000 1.049 144 K CA 1.470 57.728 56.287 -0.049 0.000 0.931 144 K CB -0.690 31.812 32.500 0.003 0.000 0.714 144 K HN 0.548 nan 8.250 nan 0.000 0.440 145 G N 1.916 110.715 108.800 -0.002 0.000 2.433 145 G HA2 -0.267 3.766 3.960 0.122 0.000 0.216 145 G HA3 -0.267 3.766 3.960 0.122 0.000 0.216 145 G C 1.489 176.324 174.900 -0.107 0.000 1.186 145 G CA 0.667 45.821 45.100 0.090 0.000 0.779 145 G HN 0.222 nan 8.290 nan 0.000 0.543 146 L N 0.073 120.976 121.223 -0.534 0.000 2.012 146 L HA -0.047 4.366 4.340 0.122 0.000 0.210 146 L C 2.835 179.401 176.870 -0.508 0.000 1.073 146 L CA 1.311 55.496 54.840 -1.091 0.000 0.748 146 L CB -0.208 41.292 42.059 -0.932 0.000 0.891 146 L HN 0.224 nan 8.230 nan 0.000 0.431 147 L N -1.429 119.624 121.223 -0.283 0.000 2.141 147 L HA -0.243 4.171 4.340 0.122 0.000 0.209 147 L C 2.501 179.315 176.870 -0.093 0.000 1.094 147 L CA 1.281 56.021 54.840 -0.166 0.000 0.763 147 L CB -0.725 41.304 42.059 -0.050 0.000 0.908 147 L HN 0.380 nan 8.230 nan 0.000 0.437 148 Y N 0.580 120.794 120.300 -0.144 0.000 2.184 148 Y HA -0.198 4.421 4.550 0.114 0.000 0.290 148 Y C 2.463 178.306 175.900 -0.095 0.000 1.129 148 Y CA 1.321 59.354 58.100 -0.111 0.000 1.144 148 Y CB 0.054 38.449 38.460 -0.109 0.000 0.995 148 Y HN -0.067 nan 8.280 nan 0.000 0.513 149 I N 0.737 121.208 120.570 -0.165 0.000 2.226 149 I HA -0.267 3.976 4.170 0.122 0.000 0.245 149 I C 2.106 178.091 176.117 -0.221 0.000 1.100 149 I CA 1.941 63.119 61.300 -0.204 0.000 1.374 149 I CB -1.452 36.601 38.000 0.090 0.000 1.057 149 I HN 0.329 nan 8.210 nan 0.000 0.413 150 D N 0.905 121.191 120.400 -0.190 0.000 2.149 150 D HA -0.188 4.525 4.640 0.122 0.000 0.198 150 D C 2.323 178.521 176.300 -0.171 0.000 0.990 150 D CA 1.709 55.620 54.000 -0.148 0.000 0.839 150 D CB 0.147 40.848 40.800 -0.164 0.000 0.948 150 D HN 0.333 nan 8.370 nan 0.000 0.460 151 S N -0.668 114.890 115.700 -0.236 0.000 2.423 151 S HA -0.140 4.403 4.470 0.122 0.000 0.231 151 S C 2.079 176.541 174.600 -0.230 0.000 1.014 151 S CA 1.416 59.486 58.200 -0.216 0.000 0.965 151 S CB -0.537 62.545 63.200 -0.197 0.000 0.785 151 S HN 0.265 nan 8.310 nan 0.000 0.495 152 V N -1.042 118.675 119.914 -0.329 0.000 3.307 152 V HA 0.301 4.494 4.120 0.122 0.000 0.253 152 V C 0.820 176.844 176.094 -0.118 0.000 1.149 152 V CA 0.195 62.343 62.300 -0.253 0.000 1.112 152 V CB -1.422 30.175 31.823 -0.376 0.000 0.777 152 V HN 1.264 nan 8.190 nan 0.000 0.464 153 S N -0.097 115.549 115.700 -0.090 0.000 3.914 153 S HA -0.240 4.304 4.470 0.122 0.000 0.674 153 S C -0.594 174.064 174.600 0.097 0.000 1.528 153 S CA 0.257 58.469 58.200 0.020 0.000 1.636 153 S CB -2.078 61.148 63.200 0.042 0.000 0.356 153 S HN 1.098 nan 8.310 nan 0.000 1.280 154 F N 2.681 122.637 119.950 0.010 0.000 2.509 154 F HA 0.315 4.916 4.527 0.124 0.000 0.344 154 F C 0.696 176.504 175.800 0.013 0.000 1.197 154 F CA -0.604 57.422 58.000 0.044 0.000 1.294 154 F CB -0.687 38.384 39.000 0.120 0.000 1.643 154 F HN 0.684 nan 8.300 nan 0.000 0.596 155 N N 2.942 121.805 118.700 0.272 0.000 2.758 155 N HA -0.211 4.602 4.740 0.122 0.000 0.248 155 N C 0.868 176.407 175.510 0.049 0.000 1.076 155 N CA 1.101 54.222 53.050 0.119 0.000 0.696 155 N CB -1.358 37.179 38.487 0.082 0.000 0.979 155 N HN 0.968 nan 8.380 nan 0.000 0.550 156 G N -0.926 107.908 108.800 0.058 0.000 2.900 156 G HA2 -0.383 3.651 3.960 0.122 0.000 0.223 156 G HA3 -0.383 3.651 3.960 0.122 0.000 0.223 156 G C 0.139 175.063 174.900 0.041 0.000 1.293 156 G CA 0.589 45.708 45.100 0.032 0.000 0.792 156 G HN 0.529 nan 8.290 nan 0.000 0.527 157 Q N 1.035 120.848 119.800 0.022 0.000 2.614 157 Q HA 0.472 4.885 4.340 0.122 0.000 0.244 157 Q C 0.689 176.762 176.000 0.121 0.000 1.097 157 Q CA 0.159 55.968 55.803 0.010 0.000 0.986 157 Q CB 0.386 29.040 28.738 -0.139 0.000 1.308 157 Q HN 1.047 nan 8.270 nan 0.000 0.546 158 A N 1.264 124.161 122.820 0.127 0.000 2.409 158 A HA 0.050 4.444 4.320 0.122 0.000 0.267 158 A C 0.721 178.500 177.584 0.324 0.000 1.127 158 A CA -0.290 51.863 52.037 0.194 0.000 0.795 158 A CB 0.511 19.621 19.000 0.183 0.000 1.061 158 A HN 0.832 nan 8.150 nan 0.000 0.502 159 E N 1.601 121.990 120.200 0.315 0.000 2.150 159 E HA -0.106 4.317 4.350 0.122 0.000 0.193 159 E C 0.416 177.237 176.600 0.367 0.000 0.985 159 E CA 1.176 57.786 56.400 0.350 0.000 0.814 159 E CB -0.013 29.811 29.700 0.206 0.000 0.752 159 E HN 0.634 nan 8.360 nan 0.000 0.466 160 C N 0.935 120.425 119.300 0.316 0.000 2.382 160 C HA 0.721 5.254 4.460 0.122 0.000 0.327 160 C C -1.086 174.146 174.990 0.403 0.000 1.250 160 C CA -0.658 58.531 59.018 0.286 0.000 1.707 160 C CB -0.639 27.230 27.740 0.216 0.000 2.272 160 C HN 0.403 nan 8.230 nan 0.000 0.506 161 Y N 3.903 124.353 120.300 0.250 0.000 2.581 161 Y HA 0.782 5.409 4.550 0.127 0.000 0.345 161 Y C -0.920 175.152 175.900 0.287 0.000 1.036 161 Y CA -1.293 56.941 58.100 0.224 0.000 1.042 161 Y CB 0.717 39.196 38.460 0.033 0.000 1.289 161 Y HN 0.805 nan 8.280 nan 0.000 0.471 162 Y N -0.500 119.916 120.300 0.193 0.000 2.662 162 Y HA 0.817 5.441 4.550 0.123 0.000 0.335 162 Y C -2.062 173.831 175.900 -0.011 0.000 1.066 162 Y CA -2.455 55.735 58.100 0.149 0.000 1.116 162 Y CB 1.622 40.158 38.460 0.126 0.000 1.308 162 Y HN 0.500 nan 8.280 nan 0.000 0.502 163 F N 2.009 122.046 119.950 0.146 0.000 2.361 163 F HA 0.699 5.298 4.527 0.121 0.000 0.364 163 F C 0.490 176.237 175.800 -0.088 0.000 1.117 163 F CA -0.695 57.286 58.000 -0.033 0.000 1.071 163 F CB 1.223 40.273 39.000 0.083 0.000 1.188 163 F HN 0.782 nan 8.300 nan 0.000 0.464 164 A N 3.128 125.830 122.820 -0.198 0.000 2.386 164 A HA 0.197 4.590 4.320 0.122 0.000 0.248 164 A C 0.976 178.634 177.584 0.123 0.000 1.082 164 A CA -0.174 51.871 52.037 0.014 0.000 0.789 164 A CB -0.093 18.872 19.000 -0.058 0.000 1.025 164 A HN 1.010 nan 8.150 nan 0.000 0.490 165 N N -0.294 118.497 118.700 0.153 0.000 2.727 165 N HA -0.236 4.577 4.740 0.122 0.000 0.249 165 N C 0.966 176.557 175.510 0.136 0.000 1.048 165 N CA 0.334 53.456 53.050 0.121 0.000 0.714 165 N CB -0.700 37.832 38.487 0.075 0.000 0.959 165 N HN 0.982 nan 8.380 nan 0.000 0.544 166 A N 0.006 122.938 122.820 0.187 0.000 2.076 166 A HA -0.150 4.243 4.320 0.122 0.000 0.220 166 A C 2.066 179.771 177.584 0.202 0.000 1.160 166 A CA 1.772 53.931 52.037 0.204 0.000 0.653 166 A CB -0.438 18.713 19.000 0.251 0.000 0.801 166 A HN 0.796 nan 8.150 nan 0.000 0.455 167 S N -0.652 115.140 115.700 0.154 0.000 2.561 167 S HA 0.011 4.554 4.470 0.122 0.000 0.225 167 S C 0.398 175.121 174.600 0.204 0.000 0.977 167 S CA 0.524 58.831 58.200 0.177 0.000 0.926 167 S CB -0.137 63.096 63.200 0.055 0.000 0.769 167 S HN 0.608 nan 8.310 nan 0.000 0.533 168 E N 1.725 121.984 120.200 0.098 0.000 2.683 168 E HA 0.262 4.685 4.350 0.122 0.000 0.224 168 E C -2.343 174.234 176.600 -0.038 0.000 1.046 168 E CA -2.244 54.153 56.400 -0.005 0.000 0.811 168 E CB 1.499 31.186 29.700 -0.021 0.000 1.296 168 E HN 0.231 nan 8.360 nan 0.000 0.421 169 P HA -0.189 nan 4.420 nan 0.000 0.221 169 P C 0.866 178.077 177.300 -0.148 0.000 1.145 169 P CA 0.977 63.985 63.100 -0.154 0.000 0.795 169 P CB 0.373 31.921 31.700 -0.254 0.000 0.775 170 E N -0.519 119.602 120.200 -0.132 0.000 2.274 170 E HA -0.080 4.344 4.350 0.122 0.000 0.194 170 E C 1.558 178.113 176.600 -0.075 0.000 0.996 170 E CA 0.900 57.235 56.400 -0.108 0.000 0.840 170 E CB -0.177 29.461 29.700 -0.103 0.000 0.772 170 E HN 0.395 nan 8.360 nan 0.000 0.491 171 R N -0.216 120.251 120.500 -0.056 0.000 2.521 171 R HA 0.135 4.549 4.340 0.122 0.000 0.289 171 R C 0.727 177.028 176.300 0.002 0.000 0.936 171 R CA 0.074 56.157 56.100 -0.028 0.000 1.089 171 R CB 0.339 30.624 30.300 -0.024 0.000 1.348 171 R HN 0.127 nan 8.270 nan 0.000 0.536 172 C N 1.177 120.485 119.300 0.013 0.000 2.679 172 C HA 0.252 4.785 4.460 0.122 0.000 0.417 172 C C 0.112 175.183 174.990 0.135 0.000 1.302 172 C CA -0.622 58.445 59.018 0.081 0.000 1.973 172 C CB 0.099 27.898 27.740 0.099 0.000 2.715 172 C HN 0.339 nan 8.230 nan 0.000 0.628 173 Q N 1.148 121.028 119.800 0.133 0.000 2.330 173 Q HA 0.355 4.769 4.340 0.122 0.000 0.269 173 Q C -0.583 175.392 176.000 -0.041 0.000 1.022 173 Q CA -0.412 55.427 55.803 0.061 0.000 0.796 173 Q CB 1.821 30.552 28.738 -0.011 0.000 1.271 173 Q HN 0.800 nan 8.270 nan 0.000 0.450 174 K N 3.496 123.828 120.400 -0.114 0.000 2.419 174 K HA 0.105 4.498 4.320 0.122 0.000 0.282 174 K C -0.758 175.652 176.600 -0.317 0.000 1.056 174 K CA 0.481 56.503 56.287 -0.442 0.000 1.035 174 K CB 0.383 32.610 32.500 -0.455 0.000 0.921 174 K HN 0.483 nan 8.250 nan 0.000 0.472 175 M N 5.472 124.856 119.600 -0.360 0.000 2.530 175 M HA 0.369 4.922 4.480 0.122 0.000 0.307 175 M C -2.433 173.889 176.300 0.036 0.000 1.161 175 M CA -2.817 52.359 55.300 -0.206 0.000 0.903 175 M CB 1.500 33.904 32.600 -0.328 0.000 1.711 175 M HN 0.384 nan 8.290 nan 0.000 0.451 176 P HA 0.186 nan 4.420 nan 0.000 0.268 176 P C -1.244 176.287 177.300 0.385 0.000 1.205 176 P CA 0.128 63.368 63.100 0.233 0.000 0.771 176 P CB 0.275 32.051 31.700 0.127 0.000 0.858 177 F N 2.546 122.640 119.950 0.241 0.000 2.518 177 F HA 0.393 4.990 4.527 0.117 0.000 0.323 177 F C 0.052 175.904 175.800 0.085 0.000 1.129 177 F CA -1.108 57.000 58.000 0.180 0.000 0.920 177 F CB 1.247 40.354 39.000 0.178 0.000 1.160 177 F HN 0.145 nan 8.300 nan 0.000 0.440 178 N N 5.466 123.955 118.700 -0.352 0.000 2.399 178 N HA 0.199 5.012 4.740 0.122 0.000 0.259 178 N C -0.820 174.614 175.510 -0.128 0.000 1.160 178 N CA 0.017 52.950 53.050 -0.196 0.000 0.946 178 N CB 0.609 38.962 38.487 -0.223 0.000 1.156 178 N HN 0.688 nan 8.380 nan 0.000 0.489 179 L N 3.712 124.984 121.223 0.081 0.000 3.030 179 L HA 0.382 4.795 4.340 0.122 0.000 0.252 179 L C 0.528 177.387 176.870 -0.019 0.000 1.316 179 L CA -0.053 54.848 54.840 0.102 0.000 0.975 179 L CB 0.141 42.290 42.059 0.150 0.000 1.357 179 L HN 0.594 nan 8.230 nan 0.000 0.534 180 D N 0.510 120.883 120.400 -0.044 0.000 2.084 180 D HA -0.090 4.623 4.640 0.122 0.000 0.194 180 D C 0.618 176.863 176.300 -0.093 0.000 0.990 180 D CA 1.692 55.654 54.000 -0.064 0.000 0.826 180 D CB 0.096 40.864 40.800 -0.052 0.000 0.971 180 D HN 0.578 nan 8.370 nan 0.000 0.453 181 D N 1.369 121.721 120.400 -0.080 0.000 2.422 181 D HA 0.175 4.888 4.640 0.122 0.000 0.227 181 D C -1.524 174.679 176.300 -0.163 0.000 1.190 181 D CA -1.249 52.695 54.000 -0.093 0.000 0.905 181 D CB 0.627 41.409 40.800 -0.029 0.000 1.034 181 D HN 0.043 nan 8.370 nan 0.000 0.507 182 P HA -0.064 nan 4.420 nan 0.000 0.218 182 P C -0.136 176.944 177.300 -0.368 0.000 1.152 182 P CA 0.472 63.297 63.100 -0.459 0.000 0.826 182 P CB -0.027 31.218 31.700 -0.758 0.000 0.790 183 Y N 2.159 122.446 120.300 -0.022 0.000 2.359 183 Y HA 0.293 4.860 4.550 0.028 0.000 0.330 183 Y C -1.319 174.579 175.900 -0.003 0.000 1.143 183 Y CA -2.576 55.513 58.100 -0.018 0.000 1.318 183 Y CB -0.586 37.878 38.460 0.007 0.000 1.234 183 Y HN 0.059 nan 8.280 nan 0.000 0.522 184 P HA 0.359 nan 4.420 nan 0.000 0.282 184 P C -1.519 175.771 177.300 -0.017 0.000 1.259 184 P CA -0.504 62.651 63.100 0.093 0.000 0.826 184 P CB 1.957 33.689 31.700 0.054 0.000 1.064 185 L N 1.786 122.967 121.223 -0.070 0.000 2.408 185 L HA 0.510 4.923 4.340 0.122 0.000 0.268 185 L C -1.431 175.339 176.870 -0.168 0.000 0.986 185 L CA -1.012 53.751 54.840 -0.128 0.000 0.820 185 L CB 1.852 43.824 42.059 -0.144 0.000 1.303 185 L HN 0.193 nan 8.230 nan 0.000 0.411 186 L N 5.077 126.186 121.223 -0.191 0.000 2.272 186 L HA 0.657 5.070 4.340 0.122 0.000 0.289 186 L C -0.999 175.710 176.870 -0.269 0.000 1.032 186 L CA -0.192 54.521 54.840 -0.211 0.000 0.810 186 L CB 1.648 43.583 42.059 -0.206 0.000 1.205 186 L HN 0.413 nan 8.230 nan 0.000 0.422 187 V N 5.953 125.725 119.914 -0.237 0.000 2.370 187 V HA 0.410 4.603 4.120 0.122 0.000 0.283 187 V C -0.337 175.612 176.094 -0.243 0.000 1.023 187 V CA -0.717 61.433 62.300 -0.250 0.000 0.857 187 V CB 1.627 33.337 31.823 -0.188 0.000 0.985 187 V HN 0.445 nan 8.190 nan 0.000 0.443 188 V N 4.611 124.320 119.914 -0.342 0.000 2.311 188 V HA 0.344 4.537 4.120 0.122 0.000 0.275 188 V C 0.047 176.107 176.094 -0.057 0.000 1.022 188 V CA -0.562 61.589 62.300 -0.249 0.000 0.830 188 V CB 1.292 32.845 31.823 -0.450 0.000 1.012 188 V HN 0.909 nan 8.190 nan 0.000 0.452 189 N N 5.216 123.913 118.700 -0.005 0.000 2.437 189 N HA 0.480 5.293 4.740 0.122 0.000 0.259 189 N C -0.821 174.737 175.510 0.079 0.000 0.983 189 N CA -0.319 52.764 53.050 0.055 0.000 0.937 189 N CB 0.822 39.328 38.487 0.032 0.000 1.122 189 N HN 0.619 nan 8.380 nan 0.000 0.499 190 I N 3.059 123.714 120.570 0.141 0.000 2.371 190 I HA 0.438 4.681 4.170 0.122 0.000 0.282 190 I C 1.047 177.227 176.117 0.105 0.000 1.031 190 I CA -0.533 60.833 61.300 0.110 0.000 1.180 190 I CB 1.291 39.393 38.000 0.170 0.000 1.336 190 I HN 0.585 nan 8.210 nan 0.000 0.467 191 G N 2.669 111.487 108.800 0.031 0.000 3.310 191 G HA2 0.147 4.180 3.960 0.122 0.000 0.176 191 G HA3 0.147 4.180 3.960 0.122 0.000 0.176 191 G C 1.076 175.950 174.900 -0.043 0.000 1.307 191 G CA 0.491 45.598 45.100 0.012 0.000 0.935 191 G HN 0.488 nan 8.290 nan 0.000 0.628 192 S N -0.740 114.933 115.700 -0.044 0.000 2.370 192 S HA 0.205 4.748 4.470 0.122 0.000 0.226 192 S C 1.308 175.872 174.600 -0.059 0.000 1.033 192 S CA 1.485 59.652 58.200 -0.055 0.000 1.011 192 S CB -0.630 62.548 63.200 -0.037 0.000 0.852 192 S HN 1.026 nan 8.310 nan 0.000 0.457 193 G N -0.264 108.509 108.800 -0.045 0.000 3.175 193 G HA2 0.628 4.661 3.960 0.122 0.000 0.255 193 G HA3 0.628 4.661 3.960 0.122 0.000 0.255 193 G C -1.569 173.307 174.900 -0.040 0.000 1.352 193 G CA -0.526 44.547 45.100 -0.046 0.000 1.037 193 G HN 0.361 nan 8.290 nan 0.000 0.556 194 V N 0.215 120.111 119.914 -0.029 0.000 2.531 194 V HA 0.619 4.812 4.120 0.122 0.000 0.301 194 V C -0.266 175.824 176.094 -0.008 0.000 1.034 194 V CA -0.630 61.661 62.300 -0.015 0.000 0.865 194 V CB 1.494 33.309 31.823 -0.014 0.000 0.995 194 V HN 0.631 nan 8.190 nan 0.000 0.424 195 S N 4.838 120.536 115.700 -0.003 0.000 2.503 195 S HA 0.755 5.298 4.470 0.122 0.000 0.301 195 S C -0.575 174.011 174.600 -0.023 0.000 1.087 195 S CA -0.456 57.740 58.200 -0.007 0.000 1.042 195 S CB 1.350 64.552 63.200 0.003 0.000 1.043 195 S HN 0.549 nan 8.310 nan 0.000 0.489 196 I N 3.565 124.116 120.570 -0.031 0.000 2.418 196 I HA 0.412 4.655 4.170 0.122 0.000 0.287 196 I C -1.139 174.952 176.117 -0.044 0.000 1.008 196 I CA -0.559 60.706 61.300 -0.059 0.000 1.104 196 I CB 1.376 39.335 38.000 -0.068 0.000 1.264 196 I HN 0.309 nan 8.210 nan 0.000 0.438 197 L N 5.898 127.085 121.223 -0.060 0.000 2.322 197 L HA 0.761 5.174 4.340 0.122 0.000 0.281 197 L C 0.079 176.910 176.870 -0.066 0.000 1.014 197 L CA -0.681 54.143 54.840 -0.028 0.000 0.815 197 L CB 1.811 43.852 42.059 -0.029 0.000 1.247 197 L HN 0.617 nan 8.230 nan 0.000 0.421 198 A N 3.464 126.257 122.820 -0.044 0.000 2.260 198 A HA 0.711 5.104 4.320 0.122 0.000 0.314 198 A C -0.493 176.984 177.584 -0.178 0.000 1.257 198 A CA -0.474 51.474 52.037 -0.148 0.000 0.871 198 A CB 0.920 19.849 19.000 -0.118 0.000 1.166 198 A HN 0.434 nan 8.150 nan 0.000 0.522 199 V N 4.478 124.257 119.914 -0.224 0.000 2.357 199 V HA 0.275 4.468 4.120 0.122 0.000 0.284 199 V C 0.535 176.533 176.094 -0.159 0.000 1.018 199 V CA -0.407 61.849 62.300 -0.074 0.000 0.841 199 V CB 0.631 32.455 31.823 0.001 0.000 0.991 199 V HN 1.024 nan 8.190 nan 0.000 0.437 200 H N 2.366 121.488 119.070 0.087 0.000 2.516 200 H HA 0.236 4.891 4.556 0.166 0.000 0.284 200 H C 0.968 176.162 175.328 -0.224 0.000 0.999 200 H CA 0.974 57.024 56.048 0.004 0.000 1.303 200 H CB 1.224 30.971 29.762 -0.026 0.000 1.452 200 H HN 0.718 nan 8.280 nan 0.000 0.530 201 S N -0.771 114.747 115.700 -0.303 0.000 2.672 201 S HA 0.180 4.723 4.470 0.122 0.000 0.271 201 S C 0.782 175.108 174.600 -0.456 0.000 1.171 201 S CA -0.853 56.776 58.200 -0.951 0.000 0.817 201 S CB 2.883 65.778 63.200 -0.509 0.000 1.150 201 S HN 0.127 nan 8.310 nan 0.000 0.478 202 K N 0.140 120.320 120.400 -0.367 0.000 2.152 202 K HA -0.126 4.267 4.320 0.122 0.000 0.206 202 K C -0.075 176.604 176.600 0.132 0.000 1.048 202 K CA 2.050 58.358 56.287 0.035 0.000 0.933 202 K CB -0.365 32.176 32.500 0.068 0.000 0.721 202 K HN 0.646 nan 8.250 nan 0.000 0.447 203 D N 0.017 120.447 120.400 0.049 0.000 2.501 203 D HA 0.024 4.737 4.640 0.122 0.000 0.224 203 D C -0.599 175.673 176.300 -0.047 0.000 1.202 203 D CA 0.004 54.031 54.000 0.045 0.000 0.829 203 D CB 0.326 41.122 40.800 -0.006 0.000 1.023 203 D HN 0.102 nan 8.370 nan 0.000 0.499 204 N N 1.351 120.051 118.700 0.001 0.000 2.607 204 N HA 0.107 4.921 4.740 0.122 0.000 0.271 204 N C -1.659 173.914 175.510 0.104 0.000 1.142 204 N CA -0.471 52.553 53.050 -0.044 0.000 0.810 204 N CB 0.337 38.812 38.487 -0.020 0.000 1.306 204 N HN -0.042 nan 8.380 nan 0.000 0.536 205 Y N 0.258 120.578 120.300 0.033 0.000 2.615 205 Y HA 0.715 5.268 4.550 0.004 0.000 0.341 205 Y C -0.966 174.952 175.900 0.031 0.000 1.089 205 Y CA -1.108 57.010 58.100 0.030 0.000 1.049 205 Y CB 1.335 39.789 38.460 -0.010 0.000 1.296 205 Y HN 0.283 nan 8.280 nan 0.000 0.470 206 K N 0.676 121.183 120.400 0.178 0.000 2.556 206 K HA 0.488 4.881 4.320 0.122 0.000 0.274 206 K C -1.725 174.937 176.600 0.104 0.000 0.966 206 K CA -1.102 55.243 56.287 0.096 0.000 0.865 206 K CB 2.712 35.235 32.500 0.037 0.000 1.444 206 K HN 0.901 nan 8.250 nan 0.000 0.433 207 R N 1.823 122.368 120.500 0.075 0.000 2.242 207 R HA 0.120 4.533 4.340 0.122 0.000 0.334 207 R C 0.783 177.099 176.300 0.025 0.000 1.071 207 R CA -0.196 55.932 56.100 0.047 0.000 0.922 207 R CB 0.523 30.848 30.300 0.041 0.000 1.023 207 R HN 0.636 nan 8.270 nan 0.000 0.458 208 V N 0.495 120.417 119.914 0.013 0.000 2.992 208 V HA 0.190 4.383 4.120 0.122 0.000 0.250 208 V C 0.837 176.929 176.094 -0.003 0.000 1.090 208 V CA 1.039 63.343 62.300 0.008 0.000 1.101 208 V CB 0.221 32.048 31.823 0.007 0.000 0.743 208 V HN 0.768 nan 8.190 nan 0.000 0.468 209 T N -2.030 112.519 114.554 -0.010 0.000 2.658 209 T HA 0.656 5.079 4.350 0.122 0.000 0.306 209 T C -0.676 174.015 174.700 -0.015 0.000 1.544 209 T CA 0.189 62.281 62.100 -0.014 0.000 0.991 209 T CB 1.111 69.966 68.868 -0.021 0.000 1.774 209 T HN 1.009 nan 8.240 nan 0.000 0.479 210 G N -0.201 108.589 108.800 -0.016 0.000 2.600 210 G HA2 0.601 4.634 3.960 0.122 0.000 0.293 210 G HA3 0.601 4.634 3.960 0.122 0.000 0.293 210 G C -1.325 173.564 174.900 -0.018 0.000 1.408 210 G CA 0.224 45.314 45.100 -0.015 0.000 0.782 210 G HN 0.811 nan 8.290 nan 0.000 0.482 211 T N -1.671 112.873 114.554 -0.017 0.000 2.952 211 T HA 0.501 4.924 4.350 0.122 0.000 0.305 211 T C 1.213 175.901 174.700 -0.020 0.000 1.064 211 T CA 0.545 62.634 62.100 -0.018 0.000 1.008 211 T CB 1.435 70.291 68.868 -0.019 0.000 1.078 211 T HN 1.392 nan 8.240 nan 0.000 0.459 212 S N 3.703 119.393 115.700 -0.017 0.000 2.603 212 S HA 0.151 4.694 4.470 0.122 0.000 0.220 212 S C 0.574 175.162 174.600 -0.021 0.000 0.967 212 S CA 0.044 58.233 58.200 -0.017 0.000 0.920 212 S CB -0.520 62.673 63.200 -0.012 0.000 0.773 212 S HN 0.527 nan 8.310 nan 0.000 0.529 213 L N 2.701 123.912 121.223 -0.020 0.000 2.389 213 L HA 0.629 5.042 4.340 0.122 0.000 0.265 213 L C 0.875 177.706 176.870 -0.066 0.000 1.167 213 L CA 0.108 54.937 54.840 -0.019 0.000 1.045 213 L CB 0.335 42.399 42.059 0.009 0.000 1.351 213 L HN 0.330 nan 8.230 nan 0.000 0.419 214 G N -0.019 108.721 108.800 -0.099 0.000 3.122 214 G HA2 0.469 4.502 3.960 0.122 0.000 0.180 214 G HA3 0.469 4.502 3.960 0.122 0.000 0.180 214 G C 0.895 175.622 174.900 -0.289 0.000 1.279 214 G CA -0.017 44.950 45.100 -0.222 0.000 0.987 214 G HN 0.391 nan 8.290 nan 0.000 0.589 215 G N -0.300 108.275 108.800 -0.374 0.000 2.432 215 G HA2 0.093 4.126 3.960 0.122 0.000 0.219 215 G HA3 0.093 4.126 3.960 0.122 0.000 0.219 215 G C 1.646 176.560 174.900 0.022 0.000 1.135 215 G CA 1.647 46.656 45.100 -0.151 0.000 0.767 215 G HN 0.947 nan 8.290 nan 0.000 0.550 216 G N 0.187 108.963 108.800 -0.040 0.000 2.422 216 G HA2 -0.093 3.940 3.960 0.122 0.000 0.218 216 G HA3 -0.093 3.940 3.960 0.122 0.000 0.218 216 G C 1.814 176.722 174.900 0.014 0.000 1.140 216 G CA 1.636 46.725 45.100 -0.019 0.000 0.775 216 G HN 0.383 nan 8.290 nan 0.000 0.545 217 T N 0.910 115.479 114.554 0.026 0.000 2.777 217 T HA -0.110 4.313 4.350 0.122 0.000 0.266 217 T C 1.916 176.692 174.700 0.126 0.000 1.040 217 T CA 1.065 63.196 62.100 0.051 0.000 1.141 217 T CB -0.269 68.624 68.868 0.042 0.000 0.868 217 T HN 0.250 nan 8.240 nan 0.000 0.444 218 F N 2.058 122.044 119.950 0.059 0.000 2.075 218 F HA -0.015 4.585 4.527 0.123 0.000 0.297 218 F C 1.989 177.895 175.800 0.177 0.000 1.113 218 F CA 0.760 58.860 58.000 0.167 0.000 1.218 218 F CB -0.846 38.346 39.000 0.320 0.000 0.984 218 F HN 0.017 nan 8.300 nan 0.000 0.472 219 L N 1.002 122.178 121.223 -0.077 0.000 2.017 219 L HA 0.033 4.446 4.340 0.122 0.000 0.208 219 L C 2.540 179.324 176.870 -0.143 0.000 1.073 219 L CA 2.244 56.973 54.840 -0.186 0.000 0.745 219 L CB -1.698 40.373 42.059 0.020 0.000 0.894 219 L HN 0.288 nan 8.230 nan 0.000 0.432 220 G N -0.392 108.369 108.800 -0.066 0.000 2.514 220 G HA2 -0.284 3.750 3.960 0.122 0.000 0.217 220 G HA3 -0.284 3.750 3.960 0.122 0.000 0.217 220 G C 1.648 176.508 174.900 -0.067 0.000 1.198 220 G CA 1.210 46.278 45.100 -0.053 0.000 0.780 220 G HN 0.433 nan 8.290 nan 0.000 0.565 221 L N -0.167 121.019 121.223 -0.062 0.000 2.042 221 L HA -0.144 4.269 4.340 0.122 0.000 0.210 221 L C 3.124 179.945 176.870 -0.082 0.000 1.076 221 L CA 0.885 55.686 54.840 -0.066 0.000 0.749 221 L CB -0.544 41.494 42.059 -0.034 0.000 0.893 221 L HN 0.290 nan 8.230 nan 0.000 0.432 222 C N -0.949 118.256 119.300 -0.158 0.000 2.413 222 C HA -0.170 4.363 4.460 0.122 0.000 0.276 222 C C 3.159 178.084 174.990 -0.107 0.000 1.248 222 C CA 1.293 60.206 59.018 -0.174 0.000 1.742 222 C CB -0.662 26.832 27.740 -0.409 0.000 2.017 222 C HN 0.507 nan 8.230 nan 0.000 0.481 223 S N 0.754 116.391 115.700 -0.105 0.000 2.368 223 S HA -0.090 4.454 4.470 0.122 0.000 0.225 223 S C 1.683 176.257 174.600 -0.044 0.000 1.030 223 S CA 1.244 59.407 58.200 -0.062 0.000 0.999 223 S CB -0.326 62.844 63.200 -0.050 0.000 0.844 223 S HN 0.555 nan 8.310 nan 0.000 0.459 224 L N 0.775 121.969 121.223 -0.049 0.000 2.027 224 L HA -0.061 4.352 4.340 0.122 0.000 0.206 224 L C 2.164 179.014 176.870 -0.034 0.000 1.074 224 L CA 1.109 55.924 54.840 -0.041 0.000 0.745 224 L CB -0.453 41.576 42.059 -0.051 0.000 0.898 224 L HN 0.282 nan 8.230 nan 0.000 0.433 225 L N -1.092 120.112 121.223 -0.032 0.000 2.179 225 L HA -0.077 4.337 4.340 0.122 0.000 0.208 225 L C 2.301 179.175 176.870 0.006 0.000 1.096 225 L CA 1.589 56.423 54.840 -0.009 0.000 0.779 225 L CB -0.437 41.632 42.059 0.016 0.000 0.922 225 L HN 0.436 nan 8.230 nan 0.000 0.443 226 T N -5.413 109.139 114.554 -0.003 0.000 2.975 226 T HA 0.246 4.669 4.350 0.122 0.000 0.261 226 T C 1.343 176.040 174.700 -0.005 0.000 0.984 226 T CA 0.458 62.560 62.100 0.003 0.000 0.911 226 T CB 0.895 69.767 68.868 0.007 0.000 1.127 226 T HN 0.312 nan 8.240 nan 0.000 0.514 227 G N 1.905 110.697 108.800 -0.013 0.000 2.179 227 G HA2 -0.293 3.740 3.960 0.122 0.000 0.257 227 G HA3 -0.293 3.740 3.960 0.122 0.000 0.257 227 G C 0.468 175.361 174.900 -0.012 0.000 1.010 227 G CA 0.143 45.236 45.100 -0.012 0.000 0.736 227 G HN 1.408 nan 8.290 nan 0.000 0.513 228 C N -1.395 117.894 119.300 -0.019 0.000 2.656 228 C HA 0.761 5.295 4.460 0.122 0.000 0.391 228 C C 1.317 176.302 174.990 -0.009 0.000 1.300 228 C CA -0.415 58.594 59.018 -0.015 0.000 2.302 228 C CB 1.461 29.187 27.740 -0.023 0.000 2.655 228 C HN 0.349 nan 8.230 nan 0.000 0.656 229 E N 0.447 120.649 120.200 0.004 0.000 2.498 229 E HA 0.157 4.580 4.350 0.122 0.000 0.203 229 E C 0.574 177.192 176.600 0.030 0.000 1.013 229 E CA 0.550 56.958 56.400 0.012 0.000 0.927 229 E CB 0.559 30.266 29.700 0.012 0.000 1.012 229 E HN 0.959 nan 8.360 nan 0.000 0.482 230 S N -1.362 114.365 115.700 0.045 0.000 2.588 230 S HA 0.270 4.813 4.470 0.122 0.000 0.269 230 S C 0.213 174.907 174.600 0.156 0.000 1.157 230 S CA -0.754 57.502 58.200 0.092 0.000 0.824 230 S CB 0.437 63.682 63.200 0.075 0.000 1.126 230 S HN -0.098 nan 8.310 nan 0.000 0.464 231 F N 1.885 121.860 119.950 0.042 0.000 2.171 231 F HA 0.103 4.703 4.527 0.122 0.000 0.300 231 F C 1.939 177.804 175.800 0.108 0.000 1.090 231 F CA 1.956 60.016 58.000 0.100 0.000 1.293 231 F CB -0.725 38.351 39.000 0.127 0.000 1.013 231 F HN 0.791 nan 8.300 nan 0.000 0.486 232 E N 0.228 120.431 120.200 0.005 0.000 2.077 232 E HA -0.221 4.203 4.350 0.122 0.000 0.193 232 E C 2.226 178.778 176.600 -0.081 0.000 0.989 232 E CA 1.556 57.887 56.400 -0.115 0.000 0.800 232 E CB -0.425 29.255 29.700 -0.034 0.000 0.746 232 E HN 0.578 nan 8.360 nan 0.000 0.452 233 E N -0.018 120.172 120.200 -0.016 0.000 2.106 233 E HA -0.153 4.270 4.350 0.122 0.000 0.192 233 E C 1.958 178.558 176.600 0.000 0.000 0.984 233 E CA 0.877 57.271 56.400 -0.010 0.000 0.806 233 E CB -0.062 29.640 29.700 0.003 0.000 0.750 233 E HN 0.249 nan 8.360 nan 0.000 0.458 234 A N 1.114 123.945 122.820 0.018 0.000 1.902 234 A HA -0.139 4.254 4.320 0.122 0.000 0.217 234 A C 2.187 179.892 177.584 0.202 0.000 1.181 234 A CA 0.960 53.026 52.037 0.048 0.000 0.623 234 A CB -0.597 18.330 19.000 -0.122 0.000 0.818 234 A HN 0.289 nan 8.150 nan 0.000 0.443 235 L N -0.914 120.368 121.223 0.098 0.000 2.056 235 L HA -0.193 4.221 4.340 0.122 0.000 0.207 235 L C 2.680 179.515 176.870 -0.057 0.000 1.078 235 L CA 1.710 56.529 54.840 -0.036 0.000 0.749 235 L CB -0.432 41.425 42.059 -0.337 0.000 0.901 235 L HN 0.502 nan 8.230 nan 0.000 0.433 236 E N 0.593 120.756 120.200 -0.062 0.000 2.038 236 E HA -0.259 4.164 4.350 0.122 0.000 0.195 236 E C 2.225 178.812 176.600 -0.023 0.000 1.000 236 E CA 1.762 58.131 56.400 -0.052 0.000 0.803 236 E CB -0.195 29.477 29.700 -0.047 0.000 0.750 236 E HN 0.277 nan 8.360 nan 0.000 0.448 237 M N -0.186 119.418 119.600 0.007 0.000 2.082 237 M HA -0.207 4.346 4.480 0.122 0.000 0.258 237 M C 2.345 178.664 176.300 0.032 0.000 1.069 237 M CA 1.893 57.206 55.300 0.022 0.000 1.102 237 M CB -0.434 32.189 32.600 0.038 0.000 1.336 237 M HN 0.277 nan 8.290 nan 0.000 0.404 238 A N 0.182 123.044 122.820 0.071 0.000 1.933 238 A HA -0.178 4.216 4.320 0.122 0.000 0.218 238 A C 2.243 179.814 177.584 -0.020 0.000 1.175 238 A CA 2.145 54.219 52.037 0.062 0.000 0.628 238 A CB -0.954 18.119 19.000 0.122 0.000 0.814 238 A HN 0.623 nan 8.150 nan 0.000 0.444 239 S N -0.040 115.631 115.700 -0.048 0.000 2.419 239 S HA -0.145 4.398 4.470 0.122 0.000 0.233 239 S C 1.603 176.163 174.600 -0.066 0.000 1.016 239 S CA 1.499 59.651 58.200 -0.080 0.000 0.974 239 S CB -0.309 62.835 63.200 -0.094 0.000 0.786 239 S HN 0.647 nan 8.310 nan 0.000 0.492 240 K N 0.986 121.360 120.400 -0.044 0.000 2.379 240 K HA 0.276 4.669 4.320 0.122 0.000 0.194 240 K C 1.121 177.701 176.600 -0.034 0.000 1.031 240 K CA 0.324 56.587 56.287 -0.039 0.000 1.037 240 K CB 0.125 32.608 32.500 -0.028 0.000 0.824 240 K HN 0.435 nan 8.250 nan 0.000 0.516 241 G N 0.909 109.692 108.800 -0.029 0.000 2.502 241 G HA2 0.128 4.161 3.960 0.122 0.000 0.305 241 G HA3 0.128 4.161 3.960 0.122 0.000 0.305 241 G C -1.345 173.530 174.900 -0.041 0.000 1.190 241 G CA -0.316 44.770 45.100 -0.023 0.000 0.933 241 G HN -0.006 nan 8.290 nan 0.000 0.503 242 D N -1.068 119.309 120.400 -0.038 0.000 2.440 242 D HA 0.287 5.000 4.640 0.122 0.000 0.239 242 D C 1.532 177.799 176.300 -0.056 0.000 1.084 242 D CA -0.291 53.678 54.000 -0.052 0.000 0.843 242 D CB 1.432 42.206 40.800 -0.043 0.000 1.097 242 D HN 0.184 nan 8.370 nan 0.000 0.531 243 S N 1.623 117.277 115.700 -0.077 0.000 2.399 243 S HA -0.212 4.331 4.470 0.122 0.000 0.231 243 S C 1.850 176.392 174.600 -0.096 0.000 1.022 243 S CA 1.464 59.602 58.200 -0.103 0.000 0.983 243 S CB -0.850 62.278 63.200 -0.120 0.000 0.803 243 S HN 0.589 nan 8.310 nan 0.000 0.480 244 T N -0.823 113.693 114.554 -0.063 0.000 3.051 244 T HA -0.018 4.405 4.350 0.122 0.000 0.269 244 T C 1.689 176.375 174.700 -0.023 0.000 1.127 244 T CA 0.699 62.777 62.100 -0.036 0.000 1.107 244 T CB -0.413 68.446 68.868 -0.016 0.000 0.898 244 T HN 0.233 nan 8.240 nan 0.000 0.517 245 Q N 0.709 120.493 119.800 -0.027 0.000 2.230 245 Q HA 0.258 4.671 4.340 0.122 0.000 0.202 245 Q C 2.410 178.412 176.000 0.003 0.000 0.963 245 Q CA 1.533 57.332 55.803 -0.006 0.000 0.866 245 Q CB -0.432 28.304 28.738 -0.002 0.000 0.931 245 Q HN 0.781 nan 8.270 nan 0.000 0.452 246 A N 0.048 122.846 122.820 -0.036 0.000 1.993 246 A HA 0.051 4.444 4.320 0.122 0.000 0.207 246 A C 0.463 178.012 177.584 -0.057 0.000 1.224 246 A CA -0.023 51.993 52.037 -0.034 0.000 0.749 246 A CB 0.285 19.224 19.000 -0.102 0.000 0.884 246 A HN 0.111 nan 8.150 nan 0.000 0.467 247 D N 0.539 120.872 120.400 -0.111 0.000 2.313 247 D HA 0.303 5.017 4.640 0.122 0.000 0.247 247 D C -0.212 176.091 176.300 0.004 0.000 1.094 247 D CA 0.126 54.078 54.000 -0.080 0.000 0.925 247 D CB 0.910 41.647 40.800 -0.105 0.000 1.188 247 D HN 0.233 nan 8.370 nan 0.000 0.430 248 K N 2.114 122.535 120.400 0.035 0.000 2.240 248 K HA 0.347 4.740 4.320 0.122 0.000 0.271 248 K C -0.536 176.092 176.600 0.046 0.000 1.018 248 K CA -0.528 55.793 56.287 0.057 0.000 0.874 248 K CB 0.475 33.022 32.500 0.079 0.000 1.098 248 K HN 0.338 nan 8.250 nan 0.000 0.458 249 L N 3.877 125.127 121.223 0.045 0.000 2.399 249 L HA 0.208 4.621 4.340 0.122 0.000 0.265 249 L C 1.783 178.690 176.870 0.061 0.000 1.089 249 L CA -0.895 53.977 54.840 0.053 0.000 0.802 249 L CB 1.213 43.312 42.059 0.066 0.000 1.180 249 L HN 0.475 nan 8.230 nan 0.000 0.454 250 V N 1.293 121.254 119.914 0.077 0.000 2.370 250 V HA -0.315 3.878 4.120 0.122 0.000 0.252 250 V C 2.618 178.818 176.094 0.176 0.000 1.068 250 V CA 2.557 64.949 62.300 0.155 0.000 1.061 250 V CB -1.032 30.867 31.823 0.127 0.000 0.656 250 V HN 0.933 nan 8.190 nan 0.000 0.455 251 R N 0.440 121.003 120.500 0.105 0.000 2.120 251 R HA -0.161 4.253 4.340 0.122 0.000 0.234 251 R C 1.698 178.025 176.300 0.045 0.000 1.123 251 R CA 1.965 58.119 56.100 0.091 0.000 0.975 251 R CB -0.761 29.587 30.300 0.079 0.000 0.866 251 R HN 0.412 nan 8.270 nan 0.000 0.446 252 D N 0.858 121.270 120.400 0.021 0.000 2.264 252 D HA -0.059 4.654 4.640 0.122 0.000 0.208 252 D C 1.925 178.175 176.300 -0.085 0.000 0.966 252 D CA 1.108 55.097 54.000 -0.019 0.000 0.864 252 D CB 0.073 40.873 40.800 -0.000 0.000 0.933 252 D HN 0.412 nan 8.370 nan 0.000 0.499 253 I N -1.042 119.439 120.570 -0.149 0.000 2.628 253 I HA -0.142 4.101 4.170 0.122 0.000 0.255 253 I C 1.260 177.029 176.117 -0.581 0.000 1.119 253 I CA 0.575 61.625 61.300 -0.417 0.000 1.448 253 I CB 0.086 37.712 38.000 -0.624 0.000 1.133 253 I HN -0.090 nan 8.210 nan 0.000 0.438 254 Y N 0.381 120.635 120.300 -0.077 0.000 2.467 254 Y HA 0.375 4.999 4.550 0.122 0.000 0.250 254 Y C 1.784 177.664 175.900 -0.032 0.000 1.155 254 Y CA 0.293 58.344 58.100 -0.081 0.000 1.249 254 Y CB 0.540 38.933 38.460 -0.112 0.000 1.146 254 Y HN 0.237 nan 8.280 nan 0.000 0.524 255 G N -0.327 108.518 108.800 0.075 0.000 2.205 255 G HA2 -0.071 3.962 3.960 0.122 0.000 0.261 255 G HA3 -0.071 3.962 3.960 0.122 0.000 0.261 255 G C 0.608 175.552 174.900 0.074 0.000 0.980 255 G CA 0.155 45.288 45.100 0.055 0.000 0.632 255 G HN 0.924 nan 8.290 nan 0.000 0.533 256 G N -0.928 107.937 108.800 0.108 0.000 2.435 256 G HA2 0.464 4.497 3.960 0.122 0.000 0.228 256 G HA3 0.464 4.497 3.960 0.122 0.000 0.228 256 G C -1.625 173.336 174.900 0.102 0.000 1.198 256 G CA 0.264 45.420 45.100 0.093 0.000 0.948 256 G HN 0.286 nan 8.290 nan 0.000 0.487 257 D N -0.029 120.409 120.400 0.064 0.000 2.400 257 D HA 0.312 5.025 4.640 0.122 0.000 0.238 257 D C -0.677 175.656 176.300 0.055 0.000 1.157 257 D CA 0.359 54.376 54.000 0.029 0.000 0.889 257 D CB 0.685 41.483 40.800 -0.003 0.000 1.199 257 D HN 0.206 nan 8.370 nan 0.000 0.436 258 Y N 2.781 122.960 120.300 -0.202 0.000 2.804 258 Y HA 0.095 4.718 4.550 0.122 0.000 0.330 258 Y C 1.176 176.939 175.900 -0.229 0.000 1.092 258 Y CA -0.867 56.992 58.100 -0.401 0.000 1.315 258 Y CB -0.104 37.952 38.460 -0.674 0.000 1.188 258 Y HN 0.323 nan 8.280 nan 0.000 0.512 259 E N 3.113 123.284 120.200 -0.048 0.000 2.031 259 E HA -0.289 4.134 4.350 0.122 0.000 0.193 259 E C 1.835 178.260 176.600 -0.292 0.000 0.994 259 E CA 1.364 57.684 56.400 -0.134 0.000 0.800 259 E CB -0.018 29.640 29.700 -0.070 0.000 0.752 259 E HN 0.543 nan 8.360 nan 0.000 0.447 260 R N 0.573 120.827 120.500 -0.410 0.000 2.139 260 R HA -0.132 4.281 4.340 0.122 0.000 0.243 260 R C 1.133 176.869 176.300 -0.940 0.000 1.145 260 R CA 1.311 57.021 56.100 -0.650 0.000 0.976 260 R CB -0.271 29.636 30.300 -0.655 0.000 0.866 260 R HN 0.102 nan 8.270 nan 0.000 0.449 261 F N -0.472 119.096 119.950 -0.635 0.000 2.855 261 F HA 0.384 4.984 4.527 0.122 0.000 0.317 261 F C 0.990 176.594 175.800 -0.327 0.000 1.169 261 F CA -0.017 57.696 58.000 -0.479 0.000 1.299 261 F CB 1.267 39.924 39.000 -0.571 0.000 0.962 261 F HN 0.230 nan 8.300 nan 0.000 0.506 262 G N 1.514 110.210 108.800 -0.172 0.000 2.249 262 G HA2 -0.299 3.734 3.960 0.122 0.000 0.273 262 G HA3 -0.299 3.734 3.960 0.122 0.000 0.273 262 G C -0.345 174.492 174.900 -0.104 0.000 1.036 262 G CA -0.133 44.898 45.100 -0.114 0.000 0.824 262 G HN 0.366 nan 8.290 nan 0.000 0.504 263 L N 1.289 122.439 121.223 -0.121 0.000 2.325 263 L HA 0.480 4.893 4.340 0.122 0.000 0.281 263 L C -1.784 174.973 176.870 -0.188 0.000 1.004 263 L CA -2.360 52.408 54.840 -0.120 0.000 0.823 263 L CB 2.446 44.496 42.059 -0.014 0.000 1.236 263 L HN -0.036 nan 8.230 nan 0.000 0.415 264 P HA 0.098 nan 4.420 nan 0.000 0.276 264 P C 0.642 177.647 177.300 -0.492 0.000 1.244 264 P CA -0.332 62.451 63.100 -0.528 0.000 0.801 264 P CB 1.267 32.320 31.700 -1.078 0.000 1.006 265 G N 1.448 110.088 108.800 -0.267 0.000 2.450 265 G HA2 -0.223 3.811 3.960 0.122 0.000 0.220 265 G HA3 -0.223 3.811 3.960 0.122 0.000 0.220 265 G C 1.175 176.055 174.900 -0.032 0.000 1.130 265 G CA 0.144 45.204 45.100 -0.067 0.000 0.760 265 G HN 0.748 nan 8.290 nan 0.000 0.557 266 W N 0.431 121.756 121.300 0.041 0.000 2.905 266 W HA 0.606 5.339 4.660 0.121 0.000 0.251 266 W C 0.865 177.376 176.519 -0.014 0.000 1.305 266 W CA -0.430 56.922 57.345 0.012 0.000 1.465 266 W CB -0.727 28.737 29.460 0.007 0.000 1.122 266 W HN 0.251 nan 8.180 nan 0.000 0.659 267 A N 2.220 124.871 122.820 -0.282 0.000 2.483 267 A HA 0.312 4.705 4.320 0.122 0.000 0.238 267 A C 0.169 177.728 177.584 -0.043 0.000 1.070 267 A CA -0.240 51.662 52.037 -0.225 0.000 0.770 267 A CB 0.487 19.240 19.000 -0.412 0.000 1.008 267 A HN 0.039 nan 8.150 nan 0.000 0.497 268 V N 2.562 122.461 119.914 -0.025 0.000 2.470 268 V HA 0.263 4.457 4.120 0.122 0.000 0.276 268 V C 1.405 177.527 176.094 0.046 0.000 1.040 268 V CA 0.599 62.912 62.300 0.022 0.000 1.008 268 V CB 0.115 31.954 31.823 0.027 0.000 0.990 268 V HN 1.095 nan 8.190 nan 0.000 0.477 269 A N 4.104 126.962 122.820 0.064 0.000 1.878 269 A HA 0.137 4.530 4.320 0.122 0.000 0.213 269 A C 1.306 178.945 177.584 0.091 0.000 1.192 269 A CA 1.065 53.156 52.037 0.091 0.000 0.619 269 A CB 0.104 19.159 19.000 0.091 0.000 0.837 269 A HN 0.735 nan 8.150 nan 0.000 0.446 270 S N -0.042 115.705 115.700 0.077 0.000 2.775 270 S HA 0.454 4.997 4.470 0.122 0.000 0.277 270 S C -0.693 173.957 174.600 0.082 0.000 1.156 270 S CA -0.551 57.700 58.200 0.085 0.000 1.081 270 S CB 0.728 63.971 63.200 0.072 0.000 1.054 270 S HN 0.293 nan 8.310 nan 0.000 0.482 271 S N 3.400 119.163 115.700 0.105 0.000 2.546 271 S HA 0.249 4.792 4.470 0.122 0.000 0.290 271 S C 0.286 175.005 174.600 0.199 0.000 1.290 271 S CA 0.218 58.471 58.200 0.089 0.000 1.069 271 S CB -0.536 62.770 63.200 0.175 0.000 0.846 271 S HN 0.832 nan 8.310 nan 0.000 0.495 272 F N -0.017 119.963 119.950 0.050 0.000 3.021 272 F HA -0.282 4.317 4.527 0.121 0.000 0.294 272 F C 1.786 177.597 175.800 0.018 0.000 0.761 272 F CA 0.637 58.658 58.000 0.036 0.000 1.102 272 F CB -1.891 37.127 39.000 0.029 0.000 1.380 272 F HN 0.747 nan 8.300 nan 0.000 0.387 273 G N -0.197 108.682 108.800 0.131 0.000 2.443 273 G HA2 -0.241 3.792 3.960 0.122 0.000 0.219 273 G HA3 -0.241 3.792 3.960 0.122 0.000 0.219 273 G C 1.445 176.380 174.900 0.058 0.000 1.131 273 G CA 1.026 46.174 45.100 0.081 0.000 0.775 273 G HN 0.396 nan 8.290 nan 0.000 0.547 274 N N 0.091 118.859 118.700 0.113 0.000 2.515 274 N HA 0.048 4.861 4.740 0.122 0.000 0.185 274 N C 1.838 177.441 175.510 0.155 0.000 1.109 274 N CA 0.206 53.385 53.050 0.215 0.000 0.903 274 N CB 0.030 38.637 38.487 0.200 0.000 0.969 274 N HN 0.159 nan 8.380 nan 0.000 0.450 275 M N 0.326 119.976 119.600 0.083 0.000 2.618 275 M HA 0.109 4.663 4.480 0.122 0.000 0.240 275 M C 1.642 177.916 176.300 -0.044 0.000 1.123 275 M CA 0.301 55.644 55.300 0.072 0.000 1.060 275 M CB -0.736 31.956 32.600 0.154 0.000 1.535 275 M HN 0.192 nan 8.290 nan 0.000 0.507 276 I N -2.574 117.867 120.570 -0.215 0.000 3.001 276 I HA -0.101 4.142 4.170 0.122 0.000 0.268 276 I C -0.228 175.631 176.117 -0.430 0.000 1.267 276 I CA 0.532 61.614 61.300 -0.362 0.000 1.472 276 I CB -0.478 37.235 38.000 -0.478 0.000 1.089 276 I HN -0.046 nan 8.210 nan 0.000 0.468 277 Y N 1.604 121.918 120.300 0.023 0.000 2.335 277 Y HA 0.330 4.953 4.550 0.122 0.000 0.339 277 Y C 1.375 177.285 175.900 0.017 0.000 0.987 277 Y CA -0.735 57.374 58.100 0.015 0.000 1.140 277 Y CB 1.420 39.886 38.460 0.011 0.000 1.173 277 Y HN -0.119 nan 8.280 nan 0.000 0.486 278 K N 1.798 122.284 120.400 0.143 0.000 2.074 278 K HA -0.257 4.136 4.320 0.122 0.000 0.209 278 K C 1.085 177.737 176.600 0.086 0.000 1.048 278 K CA 2.239 58.578 56.287 0.086 0.000 0.926 278 K CB 0.252 32.789 32.500 0.062 0.000 0.713 278 K HN 0.767 nan 8.250 nan 0.000 0.444 279 E N 0.480 120.739 120.200 0.099 0.000 2.077 279 E HA -0.162 4.261 4.350 0.122 0.000 0.193 279 E C 1.829 178.469 176.600 0.068 0.000 0.989 279 E CA 1.197 57.635 56.400 0.064 0.000 0.800 279 E CB 0.026 29.750 29.700 0.041 0.000 0.746 279 E HN 0.164 nan 8.360 nan 0.000 0.452 280 K N 0.598 121.062 120.400 0.107 0.000 2.062 280 K HA 0.019 4.412 4.320 0.122 0.000 0.205 280 K C 2.141 178.794 176.600 0.089 0.000 1.051 280 K CA 0.787 57.136 56.287 0.103 0.000 0.941 280 K CB -0.186 32.414 32.500 0.167 0.000 0.719 280 K HN 0.091 nan 8.250 nan 0.000 0.440 281 R N 1.105 121.659 120.500 0.091 0.000 2.120 281 R HA -0.108 4.306 4.340 0.122 0.000 0.234 281 R C 2.002 178.334 176.300 0.054 0.000 1.123 281 R CA 1.187 57.329 56.100 0.071 0.000 0.975 281 R CB -0.047 30.288 30.300 0.058 0.000 0.866 281 R HN 0.367 nan 8.270 nan 0.000 0.446 282 E N -0.234 119.995 120.200 0.048 0.000 2.285 282 E HA -0.069 4.354 4.350 0.122 0.000 0.194 282 E C 1.551 178.169 176.600 0.031 0.000 0.997 282 E CA 1.223 57.644 56.400 0.035 0.000 0.845 282 E CB 0.292 30.010 29.700 0.030 0.000 0.782 282 E HN 0.317 nan 8.360 nan 0.000 0.491 283 S N -0.199 115.521 115.700 0.034 0.000 2.511 283 S HA 0.096 4.639 4.470 0.122 0.000 0.214 283 S C 0.748 175.365 174.600 0.028 0.000 0.997 283 S CA -0.506 57.709 58.200 0.026 0.000 0.908 283 S CB 0.389 63.602 63.200 0.022 0.000 0.803 283 S HN 0.019 nan 8.310 nan 0.000 0.504 284 V N 4.276 124.213 119.914 0.038 0.000 2.655 284 V HA 0.410 4.603 4.120 0.122 0.000 0.300 284 V C 0.480 176.596 176.094 0.036 0.000 1.044 284 V CA -0.114 62.210 62.300 0.040 0.000 1.095 284 V CB 0.905 32.764 31.823 0.060 0.000 0.952 284 V HN 0.682 nan 8.190 nan 0.000 0.485 285 S N 5.626 121.344 115.700 0.029 0.000 2.652 285 S HA 0.380 4.924 4.470 0.122 0.000 0.270 285 S C 0.868 175.490 174.600 0.036 0.000 1.243 285 S CA -0.506 57.709 58.200 0.026 0.000 0.999 285 S CB 1.197 64.406 63.200 0.016 0.000 0.973 285 S HN 0.753 nan 8.310 nan 0.000 0.544 286 K N 0.745 121.164 120.400 0.032 0.000 2.103 286 K HA -0.156 4.237 4.320 0.122 0.000 0.207 286 K C 1.925 178.552 176.600 0.044 0.000 1.048 286 K CA 1.908 58.218 56.287 0.038 0.000 0.930 286 K CB -0.281 32.234 32.500 0.025 0.000 0.716 286 K HN 0.648 nan 8.250 nan 0.000 0.444 287 E N 0.951 121.169 120.200 0.031 0.000 2.077 287 E HA -0.165 4.258 4.350 0.122 0.000 0.193 287 E C 1.641 178.261 176.600 0.033 0.000 0.989 287 E CA 1.341 57.758 56.400 0.029 0.000 0.800 287 E CB -0.096 29.610 29.700 0.010 0.000 0.746 287 E HN 0.234 nan 8.360 nan 0.000 0.452 288 D N 0.185 120.600 120.400 0.025 0.000 2.117 288 D HA -0.125 4.588 4.640 0.122 0.000 0.197 288 D C 2.006 178.326 176.300 0.033 0.000 0.987 288 D CA 0.762 54.770 54.000 0.014 0.000 0.829 288 D CB -0.192 40.612 40.800 0.008 0.000 0.961 288 D HN 0.175 nan 8.370 nan 0.000 0.460 289 L N 0.748 122.020 121.223 0.081 0.000 2.046 289 L HA -0.153 4.260 4.340 0.122 0.000 0.208 289 L C 2.588 179.577 176.870 0.199 0.000 1.077 289 L CA 1.158 56.098 54.840 0.167 0.000 0.747 289 L CB -0.463 41.707 42.059 0.184 0.000 0.896 289 L HN -0.019 nan 8.230 nan 0.000 0.432 290 A N 0.105 123.019 122.820 0.157 0.000 1.877 290 A HA -0.264 4.129 4.320 0.122 0.000 0.216 290 A C 2.350 180.094 177.584 0.267 0.000 1.186 290 A CA 1.940 54.109 52.037 0.219 0.000 0.620 290 A CB -0.495 18.603 19.000 0.162 0.000 0.822 290 A HN 0.273 nan 8.150 nan 0.000 0.443 291 R N 0.174 120.751 120.500 0.127 0.000 2.081 291 R HA -0.005 4.409 4.340 0.122 0.000 0.235 291 R C 2.163 178.478 176.300 0.024 0.000 1.131 291 R CA 1.945 58.079 56.100 0.057 0.000 0.960 291 R CB -1.012 29.281 30.300 -0.012 0.000 0.856 291 R HN 0.397 nan 8.270 nan 0.000 0.436 292 A N -0.775 122.019 122.820 -0.044 0.000 1.902 292 A HA -0.133 4.260 4.320 0.122 0.000 0.217 292 A C 2.164 179.676 177.584 -0.121 0.000 1.181 292 A CA 2.070 53.961 52.037 -0.243 0.000 0.623 292 A CB -1.041 17.600 19.000 -0.598 0.000 0.818 292 A HN 0.485 nan 8.150 nan 0.000 0.443 293 T N 0.178 114.871 114.554 0.232 0.000 2.684 293 T HA -0.173 4.250 4.350 0.122 0.000 0.267 293 T C 1.829 176.780 174.700 0.417 0.000 1.036 293 T CA 1.612 64.027 62.100 0.524 0.000 1.148 293 T CB -0.405 68.820 68.868 0.595 0.000 0.863 293 T HN 0.302 nan 8.240 nan 0.000 0.436 294 L N 1.201 122.623 121.223 0.331 0.000 2.056 294 L HA 0.002 4.416 4.340 0.122 0.000 0.207 294 L C 2.475 179.384 176.870 0.065 0.000 1.078 294 L CA 1.412 56.281 54.840 0.049 0.000 0.749 294 L CB -0.744 41.205 42.059 -0.185 0.000 0.901 294 L HN 0.078 nan 8.230 nan 0.000 0.433 295 V N -0.736 119.204 119.914 0.044 0.000 2.343 295 V HA -0.299 3.894 4.120 0.122 0.000 0.247 295 V C 2.472 178.623 176.094 0.095 0.000 1.051 295 V CA 2.168 64.487 62.300 0.032 0.000 1.036 295 V CB -1.001 30.803 31.823 -0.032 0.000 0.654 295 V HN 0.540 nan 8.190 nan 0.000 0.451 296 T N 0.335 114.953 114.554 0.106 0.000 2.652 296 T HA -0.192 4.231 4.350 0.122 0.000 0.267 296 T C 1.812 176.620 174.700 0.179 0.000 1.039 296 T CA 2.039 64.235 62.100 0.161 0.000 1.153 296 T CB -0.304 68.707 68.868 0.240 0.000 0.863 296 T HN 0.343 nan 8.240 nan 0.000 0.428 297 I N 1.490 122.166 120.570 0.177 0.000 2.202 297 I HA -0.187 4.056 4.170 0.122 0.000 0.242 297 I C 2.967 179.155 176.117 0.118 0.000 1.091 297 I CA 1.621 62.996 61.300 0.125 0.000 1.368 297 I CB -0.640 37.424 38.000 0.106 0.000 1.058 297 I HN 0.431 nan 8.210 nan 0.000 0.410 298 T N -1.571 113.076 114.554 0.155 0.000 2.777 298 T HA -0.098 4.325 4.350 0.122 0.000 0.266 298 T C 1.755 176.592 174.700 0.228 0.000 1.040 298 T CA 1.174 63.383 62.100 0.183 0.000 1.141 298 T CB -0.471 68.498 68.868 0.170 0.000 0.868 298 T HN 0.170 nan 8.240 nan 0.000 0.444 299 N N 2.156 121.014 118.700 0.262 0.000 2.104 299 N HA -0.083 4.730 4.740 0.122 0.000 0.190 299 N C 1.895 177.679 175.510 0.457 0.000 1.024 299 N CA 1.505 54.807 53.050 0.420 0.000 0.853 299 N CB -0.819 37.885 38.487 0.360 0.000 1.008 299 N HN 0.531 nan 8.380 nan 0.000 0.424 300 N N 0.595 119.448 118.700 0.255 0.000 2.142 300 N HA 0.037 4.850 4.740 0.122 0.000 0.186 300 N C 1.665 177.198 175.510 0.038 0.000 1.023 300 N CA 0.690 53.809 53.050 0.115 0.000 0.852 300 N CB -0.106 38.436 38.487 0.091 0.000 0.998 300 N HN 0.199 nan 8.380 nan 0.000 0.424 301 I N -0.212 120.416 120.570 0.096 0.000 2.226 301 I HA -0.139 4.104 4.170 0.122 0.000 0.245 301 I C 2.305 178.511 176.117 0.149 0.000 1.100 301 I CA 1.129 62.492 61.300 0.106 0.000 1.374 301 I CB -0.642 37.444 38.000 0.143 0.000 1.057 301 I HN 0.265 nan 8.210 nan 0.000 0.413 302 G N -0.358 108.568 108.800 0.210 0.000 2.469 302 G HA2 -0.342 3.691 3.960 0.122 0.000 0.219 302 G HA3 -0.342 3.691 3.960 0.122 0.000 0.219 302 G C 1.784 176.700 174.900 0.027 0.000 1.150 302 G CA 1.242 46.515 45.100 0.289 0.000 0.763 302 G HN 0.414 nan 8.290 nan 0.000 0.561 303 S N -0.585 114.823 115.700 -0.486 0.000 2.371 303 S HA -0.059 4.484 4.470 0.122 0.000 0.224 303 S C 2.515 176.836 174.600 -0.465 0.000 1.029 303 S CA 1.404 58.937 58.200 -1.113 0.000 0.978 303 S CB -0.270 61.897 63.200 -1.723 0.000 0.833 303 S HN 0.121 nan 8.310 nan 0.000 0.466 304 V N 2.379 122.135 119.914 -0.263 0.000 2.295 304 V HA -0.131 4.062 4.120 0.122 0.000 0.246 304 V C 2.961 179.004 176.094 -0.084 0.000 1.049 304 V CA 1.826 64.041 62.300 -0.143 0.000 1.024 304 V CB -1.449 30.325 31.823 -0.082 0.000 0.648 304 V HN 0.620 nan 8.190 nan 0.000 0.447 305 A N 0.016 122.823 122.820 -0.022 0.000 1.883 305 A HA -0.278 4.115 4.320 0.122 0.000 0.217 305 A C 2.436 180.014 177.584 -0.011 0.000 1.186 305 A CA 2.104 54.140 52.037 -0.001 0.000 0.624 305 A CB -0.624 18.448 19.000 0.120 0.000 0.822 305 A HN 0.398 nan 8.150 nan 0.000 0.444 306 R N -0.498 120.008 120.500 0.011 0.000 2.081 306 R HA -0.075 4.338 4.340 0.122 0.000 0.235 306 R C 2.102 178.390 176.300 -0.020 0.000 1.131 306 R CA 1.984 58.099 56.100 0.024 0.000 0.960 306 R CB -0.479 29.874 30.300 0.088 0.000 0.856 306 R HN 0.627 nan 8.270 nan 0.000 0.436 307 M N -0.655 118.905 119.600 -0.067 0.000 2.159 307 M HA -0.199 4.354 4.480 0.122 0.000 0.263 307 M C 2.706 178.980 176.300 -0.044 0.000 1.063 307 M CA 1.337 56.601 55.300 -0.061 0.000 1.110 307 M CB -0.431 32.112 32.600 -0.095 0.000 1.374 307 M HN 0.273 nan 8.290 nan 0.000 0.411 308 C N 0.447 119.718 119.300 -0.050 0.000 2.446 308 C HA -0.058 4.475 4.460 0.122 0.000 0.277 308 C C 2.999 177.966 174.990 -0.039 0.000 1.275 308 C CA 1.160 60.151 59.018 -0.044 0.000 1.727 308 C CB -1.010 26.696 27.740 -0.056 0.000 2.010 308 C HN 0.600 nan 8.230 nan 0.000 0.486 309 A N -0.060 122.734 122.820 -0.042 0.000 1.883 309 A HA -0.117 4.276 4.320 0.122 0.000 0.217 309 A C 2.306 179.879 177.584 -0.018 0.000 1.186 309 A CA 2.471 54.485 52.037 -0.038 0.000 0.624 309 A CB -0.887 18.093 19.000 -0.034 0.000 0.822 309 A HN 0.450 nan 8.150 nan 0.000 0.444 310 V N 0.754 120.661 119.914 -0.011 0.000 2.307 310 V HA -0.226 3.967 4.120 0.122 0.000 0.245 310 V C 2.270 178.362 176.094 -0.002 0.000 1.045 310 V CA 2.098 64.396 62.300 -0.003 0.000 1.024 310 V CB -0.980 30.843 31.823 0.000 0.000 0.651 310 V HN 0.541 nan 8.190 nan 0.000 0.449 311 N N 0.211 118.907 118.700 -0.007 0.000 2.188 311 N HA -0.122 4.691 4.740 0.122 0.000 0.184 311 N C 1.692 177.207 175.510 0.008 0.000 1.018 311 N CA 1.042 54.090 53.050 -0.002 0.000 0.858 311 N CB -0.232 38.250 38.487 -0.009 0.000 0.989 311 N HN 0.472 nan 8.380 nan 0.000 0.426 312 E N 0.898 121.104 120.200 0.009 0.000 2.502 312 E HA 0.025 4.448 4.350 0.122 0.000 0.194 312 E C -0.260 176.366 176.600 0.043 0.000 1.062 312 E CA 0.028 56.448 56.400 0.034 0.000 0.867 312 E CB 0.019 29.732 29.700 0.021 0.000 0.888 312 E HN 0.354 nan 8.360 nan 0.000 0.510 313 K N 0.654 121.067 120.400 0.022 0.000 3.451 313 K HA -0.194 4.200 4.320 0.122 0.000 0.273 313 K C -0.315 176.298 176.600 0.021 0.000 0.944 313 K CA 0.449 56.749 56.287 0.022 0.000 0.734 313 K CB -1.782 30.735 32.500 0.028 0.000 1.437 313 K HN 0.185 nan 8.250 nan 0.000 0.454 314 I N 1.216 121.786 120.570 -0.000 0.000 2.509 314 I HA 0.124 4.367 4.170 0.122 0.000 0.293 314 I C 0.761 176.861 176.117 -0.029 0.000 1.020 314 I CA -0.886 60.403 61.300 -0.018 0.000 1.088 314 I CB 1.625 39.593 38.000 -0.053 0.000 1.267 314 I HN 0.238 nan 8.210 nan 0.000 0.430 315 N N 4.413 123.098 118.700 -0.025 0.000 2.187 315 N HA 0.134 4.948 4.740 0.122 0.000 0.212 315 N C -0.151 175.325 175.510 -0.056 0.000 1.152 315 N CA -0.350 52.683 53.050 -0.027 0.000 0.872 315 N CB 0.458 38.943 38.487 -0.003 0.000 1.025 315 N HN 0.421 nan 8.380 nan 0.000 0.514 316 R N 0.451 120.900 120.500 -0.085 0.000 2.360 316 R HA 0.521 4.935 4.340 0.122 0.000 0.318 316 R C -1.284 174.896 176.300 -0.201 0.000 0.950 316 R CA -0.688 55.324 56.100 -0.147 0.000 0.837 316 R CB 2.203 32.435 30.300 -0.113 0.000 1.165 316 R HN -0.092 nan 8.270 nan 0.000 0.458 317 V N 4.037 123.799 119.914 -0.252 0.000 2.407 317 V HA 0.271 4.465 4.120 0.122 0.000 0.291 317 V C -0.304 175.515 176.094 -0.459 0.000 1.018 317 V CA -0.833 61.258 62.300 -0.349 0.000 0.842 317 V CB 1.857 33.498 31.823 -0.304 0.000 0.996 317 V HN 0.450 nan 8.190 nan 0.000 0.426 318 V N 6.416 126.033 119.914 -0.495 0.000 2.427 318 V HA 0.633 4.827 4.120 0.122 0.000 0.286 318 V C -0.953 174.811 176.094 -0.550 0.000 1.034 318 V CA -0.312 61.719 62.300 -0.449 0.000 0.893 318 V CB 1.483 33.136 31.823 -0.284 0.000 0.982 318 V HN 0.652 nan 8.190 nan 0.000 0.452 319 F N 6.223 125.986 119.950 -0.311 0.000 2.427 319 F HA 0.723 5.334 4.527 0.140 0.000 0.346 319 F C 0.273 176.120 175.800 0.079 0.000 1.120 319 F CA -0.452 57.491 58.000 -0.095 0.000 1.033 319 F CB 1.864 40.839 39.000 -0.042 0.000 1.126 319 F HN 0.511 nan 8.300 nan 0.000 0.462 320 V N 0.014 120.091 119.914 0.271 0.000 3.167 320 V HA 1.096 5.289 4.120 0.122 0.000 0.310 320 V C -0.207 176.039 176.094 0.254 0.000 1.207 320 V CA -0.708 61.753 62.300 0.268 0.000 1.059 320 V CB 1.319 33.286 31.823 0.240 0.000 1.079 320 V HN 1.309 nan 8.190 nan 0.000 0.446 321 G N 1.867 110.794 108.800 0.212 0.000 2.392 321 G HA2 0.023 4.057 3.960 0.122 0.000 0.677 321 G HA3 0.023 4.057 3.960 0.122 0.000 0.677 321 G C -0.202 174.803 174.900 0.174 0.000 1.334 321 G CA 0.108 45.311 45.100 0.170 0.000 0.961 321 G HN 2.019 nan 8.290 nan 0.000 0.616 322 N N -0.580 118.197 118.700 0.127 0.000 2.453 322 N HA -0.033 4.780 4.740 0.122 0.000 0.183 322 N C 1.859 177.487 175.510 0.196 0.000 1.041 322 N CA 2.041 55.159 53.050 0.113 0.000 0.900 322 N CB -0.196 38.312 38.487 0.035 0.000 0.961 322 N HN 0.648 nan 8.380 nan 0.000 0.443 323 F N 0.845 120.827 119.950 0.054 0.000 2.250 323 F HA 0.012 4.611 4.527 0.120 0.000 0.301 323 F C 1.436 177.425 175.800 0.315 0.000 1.077 323 F CA 0.973 59.065 58.000 0.154 0.000 1.348 323 F CB 0.179 39.248 39.000 0.116 0.000 1.040 323 F HN 0.047 nan 8.300 nan 0.000 0.509 324 L N -0.524 120.822 121.223 0.206 0.000 2.567 324 L HA 0.102 4.515 4.340 0.122 0.000 0.225 324 L C 1.710 178.613 176.870 0.056 0.000 1.119 324 L CA 0.213 55.099 54.840 0.075 0.000 0.871 324 L CB -0.320 41.855 42.059 0.193 0.000 1.036 324 L HN -0.024 nan 8.230 nan 0.000 0.459 325 R N -0.899 119.672 120.500 0.118 0.000 2.317 325 R HA 0.086 4.499 4.340 0.122 0.000 0.208 325 R C 1.499 177.827 176.300 0.046 0.000 0.914 325 R CA 0.108 56.255 56.100 0.079 0.000 1.060 325 R CB 0.508 30.856 30.300 0.080 0.000 1.015 325 R HN 0.140 nan 8.270 nan 0.000 0.498 326 V N -0.454 119.466 119.914 0.011 0.000 3.151 326 V HA 0.142 4.335 4.120 0.122 0.000 0.241 326 V C 0.424 176.424 176.094 -0.156 0.000 1.173 326 V CA 1.101 63.355 62.300 -0.077 0.000 1.154 326 V CB 0.397 32.124 31.823 -0.161 0.000 0.898 326 V HN 0.438 nan 8.190 nan 0.000 0.473 327 N N -1.460 117.112 118.700 -0.214 0.000 2.277 327 N HA 0.373 5.186 4.740 0.122 0.000 0.286 327 N C 0.452 175.838 175.510 -0.207 0.000 1.140 327 N CA 0.253 53.180 53.050 -0.206 0.000 0.799 327 N CB 1.240 39.577 38.487 -0.250 0.000 1.596 327 N HN -0.061 nan 8.380 nan 0.000 0.473 328 T N 1.037 115.488 114.554 -0.172 0.000 3.007 328 T HA -0.079 4.344 4.350 0.122 0.000 0.270 328 T C 2.073 176.596 174.700 -0.294 0.000 1.107 328 T CA 1.050 63.039 62.100 -0.185 0.000 1.118 328 T CB -0.319 68.480 68.868 -0.115 0.000 0.889 328 T HN 0.539 nan 8.240 nan 0.000 0.506 329 L N 2.276 123.329 121.223 -0.284 0.000 2.013 329 L HA -0.167 4.246 4.340 0.122 0.000 0.212 329 L C 2.568 179.230 176.870 -0.347 0.000 1.073 329 L CA 2.300 56.956 54.840 -0.307 0.000 0.753 329 L CB -0.955 40.943 42.059 -0.268 0.000 0.890 329 L HN 0.337 nan 8.230 nan 0.000 0.432 330 S N -1.420 114.037 115.700 -0.404 0.000 2.383 330 S HA -0.232 4.311 4.470 0.122 0.000 0.227 330 S C 2.000 176.425 174.600 -0.292 0.000 1.026 330 S CA 1.515 59.451 58.200 -0.440 0.000 0.981 330 S CB -0.689 61.968 63.200 -0.905 0.000 0.818 330 S HN 0.523 nan 8.310 nan 0.000 0.472 331 M N 1.389 120.784 119.600 -0.341 0.000 2.086 331 M HA -0.067 4.486 4.480 0.122 0.000 0.261 331 M C 2.402 178.397 176.300 -0.508 0.000 1.067 331 M CA 1.613 56.651 55.300 -0.438 0.000 1.116 331 M CB -0.434 31.755 32.600 -0.685 0.000 1.348 331 M HN 0.316 nan 8.290 nan 0.000 0.407 332 K N 0.370 120.365 120.400 -0.675 0.000 2.097 332 K HA -0.078 4.315 4.320 0.122 0.000 0.206 332 K C 1.856 178.295 176.600 -0.268 0.000 1.049 332 K CA 1.056 56.936 56.287 -0.678 0.000 0.933 332 K CB -0.198 31.903 32.500 -0.666 0.000 0.717 332 K HN 0.337 nan 8.250 nan 0.000 0.442 333 L N 0.691 121.793 121.223 -0.201 0.000 2.109 333 L HA -0.142 4.271 4.340 0.122 0.000 0.207 333 L C 2.247 179.153 176.870 0.061 0.000 1.086 333 L CA 0.852 55.656 54.840 -0.059 0.000 0.760 333 L CB -0.384 41.620 42.059 -0.091 0.000 0.910 333 L HN 0.154 nan 8.230 nan 0.000 0.437 334 L N -0.244 120.976 121.223 -0.005 0.000 2.046 334 L HA -0.191 4.223 4.340 0.122 0.000 0.208 334 L C 2.925 179.786 176.870 -0.015 0.000 1.077 334 L CA 1.181 55.983 54.840 -0.064 0.000 0.747 334 L CB -0.756 41.124 42.059 -0.298 0.000 0.896 334 L HN 0.226 nan 8.230 nan 0.000 0.432 335 A N -0.458 122.425 122.820 0.105 0.000 1.883 335 A HA -0.320 4.074 4.320 0.122 0.000 0.217 335 A C 2.226 179.922 177.584 0.188 0.000 1.186 335 A CA 1.957 54.129 52.037 0.225 0.000 0.624 335 A CB -1.065 18.128 19.000 0.322 0.000 0.822 335 A HN 0.498 nan 8.150 nan 0.000 0.444 336 Y N 0.593 120.918 120.300 0.042 0.000 2.128 336 Y HA -0.164 4.459 4.550 0.122 0.000 0.284 336 Y C 2.646 178.613 175.900 0.111 0.000 1.154 336 Y CA 1.672 59.798 58.100 0.044 0.000 1.149 336 Y CB -0.516 37.924 38.460 -0.034 0.000 0.976 336 Y HN 0.318 nan 8.280 nan 0.000 0.505 337 A N -0.056 122.869 122.820 0.176 0.000 1.873 337 A HA -0.172 4.221 4.320 0.122 0.000 0.215 337 A C 2.169 179.946 177.584 0.322 0.000 1.186 337 A CA 1.709 53.889 52.037 0.238 0.000 0.616 337 A CB -1.236 17.989 19.000 0.375 0.000 0.823 337 A HN 0.532 nan 8.150 nan 0.000 0.442 338 L N 0.366 121.748 121.223 0.265 0.000 2.083 338 L HA -0.151 4.262 4.340 0.122 0.000 0.209 338 L C 1.949 178.936 176.870 0.195 0.000 1.083 338 L CA 2.671 57.684 54.840 0.288 0.000 0.752 338 L CB -0.645 41.575 42.059 0.267 0.000 0.899 338 L HN 0.571 nan 8.230 nan 0.000 0.433 339 D N -2.217 118.249 120.400 0.111 0.000 2.117 339 D HA -0.319 4.394 4.640 0.122 0.000 0.197 339 D C 2.137 178.430 176.300 -0.010 0.000 0.987 339 D CA 1.440 55.470 54.000 0.051 0.000 0.829 339 D CB -0.266 40.556 40.800 0.035 0.000 0.961 339 D HN 0.458 nan 8.370 nan 0.000 0.460 340 Y N -0.273 119.886 120.300 -0.235 0.000 2.070 340 Y HA -0.200 4.423 4.550 0.122 0.000 0.280 340 Y C 1.690 177.470 175.900 -0.200 0.000 1.148 340 Y CA 1.909 59.815 58.100 -0.323 0.000 1.125 340 Y CB -0.714 37.384 38.460 -0.604 0.000 0.975 340 Y HN 0.133 nan 8.280 nan 0.000 0.492 341 W N 0.010 121.252 121.300 -0.098 0.000 2.467 341 W HA -0.075 4.659 4.660 0.123 0.000 0.275 341 W C 2.609 179.043 176.519 -0.141 0.000 1.239 341 W CA 1.221 58.469 57.345 -0.162 0.000 1.266 341 W CB -0.500 28.987 29.460 0.045 0.000 1.112 341 W HN 0.243 nan 8.180 nan 0.000 0.576 342 S N 0.239 116.010 115.700 0.117 0.000 2.575 342 S HA 0.097 4.640 4.470 0.122 0.000 0.215 342 S C 0.665 175.264 174.600 -0.001 0.000 0.966 342 S CA 0.026 58.266 58.200 0.066 0.000 0.911 342 S CB -0.467 62.780 63.200 0.079 0.000 0.780 342 S HN 0.307 nan 8.310 nan 0.000 0.514 343 K N 0.903 121.260 120.400 -0.072 0.000 3.156 343 K HA -0.179 4.214 4.320 0.122 0.000 0.266 343 K C 0.875 177.465 176.600 -0.016 0.000 0.966 343 K CA 0.285 56.526 56.287 -0.077 0.000 0.719 343 K CB -2.295 30.159 32.500 -0.076 0.000 1.333 343 K HN 0.953 nan 8.250 nan 0.000 0.468 344 G N -0.230 108.573 108.800 0.005 0.000 2.162 344 G HA2 -0.345 3.688 3.960 0.122 0.000 0.260 344 G HA3 -0.345 3.688 3.960 0.122 0.000 0.260 344 G C 0.676 175.599 174.900 0.039 0.000 0.976 344 G CA 0.564 45.685 45.100 0.035 0.000 0.655 344 G HN 0.389 nan 8.290 nan 0.000 0.533 345 Q N -0.732 119.086 119.800 0.030 0.000 2.398 345 Q HA 0.313 4.727 4.340 0.122 0.000 0.204 345 Q C 1.370 177.386 176.000 0.028 0.000 0.932 345 Q CA 0.718 56.538 55.803 0.027 0.000 0.916 345 Q CB 0.370 29.120 28.738 0.020 0.000 1.024 345 Q HN 0.670 nan 8.270 nan 0.000 0.504 346 L N 0.905 122.151 121.223 0.039 0.000 2.346 346 L HA 0.421 4.834 4.340 0.122 0.000 0.274 346 L C -0.289 176.607 176.870 0.043 0.000 1.007 346 L CA -0.622 54.236 54.840 0.030 0.000 0.818 346 L CB 1.831 43.917 42.059 0.046 0.000 1.284 346 L HN -0.287 nan 8.230 nan 0.000 0.424 347 K N 2.041 122.434 120.400 -0.013 0.000 2.274 347 K HA 0.632 5.025 4.320 0.122 0.000 0.262 347 K C -0.446 176.152 176.600 -0.004 0.000 0.961 347 K CA -0.618 55.676 56.287 0.013 0.000 0.833 347 K CB 2.104 34.523 32.500 -0.135 0.000 1.102 347 K HN 0.656 nan 8.250 nan 0.000 0.436 348 A N 4.478 127.381 122.820 0.137 0.000 2.492 348 A HA 0.243 4.637 4.320 0.122 0.000 0.254 348 A C -0.200 177.278 177.584 -0.176 0.000 1.091 348 A CA -0.144 51.957 52.037 0.107 0.000 0.768 348 A CB -0.161 18.910 19.000 0.118 0.000 1.028 348 A HN 0.665 nan 8.150 nan 0.000 0.498 349 L N 1.958 122.916 121.223 -0.441 0.000 2.331 349 L HA 0.755 5.168 4.340 0.122 0.000 0.275 349 L C -0.778 175.550 176.870 -0.902 0.000 1.022 349 L CA -0.432 54.082 54.840 -0.544 0.000 0.812 349 L CB 1.429 43.191 42.059 -0.495 0.000 1.257 349 L HN 0.695 nan 8.230 nan 0.000 0.435 350 F N 1.294 121.070 119.950 -0.291 0.000 2.629 350 F HA 0.659 5.265 4.527 0.131 0.000 0.316 350 F C -0.530 175.019 175.800 -0.418 0.000 1.081 350 F CA -0.732 57.028 58.000 -0.399 0.000 0.954 350 F CB 1.808 40.352 39.000 -0.759 0.000 1.337 350 F HN 0.108 nan 8.300 nan 0.000 0.474 351 L N 1.567 122.848 121.223 0.097 0.000 2.385 351 L HA 0.425 4.839 4.340 0.122 0.000 0.273 351 L C 0.834 177.927 176.870 0.371 0.000 0.990 351 L CA -0.766 54.245 54.840 0.285 0.000 0.821 351 L CB 2.017 44.352 42.059 0.461 0.000 1.279 351 L HN 0.630 nan 8.230 nan 0.000 0.412 352 E N 0.649 121.110 120.200 0.434 0.000 2.160 352 E HA -0.205 4.218 4.350 0.122 0.000 0.195 352 E C 0.752 177.271 176.600 -0.135 0.000 0.991 352 E CA 1.685 58.237 56.400 0.253 0.000 0.810 352 E CB 0.053 29.918 29.700 0.275 0.000 0.742 352 E HN 0.583 nan 8.360 nan 0.000 0.466 353 H N 0.147 119.085 119.070 -0.219 0.000 2.519 353 H HA 0.115 4.744 4.556 0.122 0.000 0.289 353 H C 0.149 174.900 175.328 -0.963 0.000 1.040 353 H CA -0.251 55.460 56.048 -0.562 0.000 1.165 353 H CB 0.182 29.573 29.762 -0.618 0.000 1.462 353 H HN -0.070 nan 8.280 nan 0.000 0.555 354 E N 0.825 120.635 120.200 -0.650 0.000 2.652 354 E HA -0.019 4.404 4.350 0.122 0.000 0.255 354 E C 1.134 177.517 176.600 -0.361 0.000 0.952 354 E CA 1.286 57.371 56.400 -0.526 0.000 0.947 354 E CB 0.251 29.929 29.700 -0.037 0.000 0.912 354 E HN 0.784 nan 8.360 nan 0.000 0.489 355 G N 4.498 113.079 108.800 -0.365 0.000 2.391 355 G HA2 -0.285 3.748 3.960 0.122 0.000 0.204 355 G HA3 -0.285 3.748 3.960 0.122 0.000 0.204 355 G C 0.645 175.262 174.900 -0.472 0.000 1.012 355 G CA 0.113 45.004 45.100 -0.348 0.000 0.651 355 G HN 0.542 nan 8.290 nan 0.000 0.494 356 Y N 0.365 120.485 120.300 -0.300 0.000 2.467 356 Y HA 0.468 5.090 4.550 0.120 0.000 0.250 356 Y C 2.056 178.001 175.900 0.075 0.000 1.155 356 Y CA -0.385 57.666 58.100 -0.081 0.000 1.249 356 Y CB 0.195 38.611 38.460 -0.073 0.000 1.146 356 Y HN 0.205 nan 8.280 nan 0.000 0.524 357 F N -0.301 119.754 119.950 0.175 0.000 2.186 357 F HA -0.037 4.578 4.527 0.147 0.000 0.299 357 F C 2.376 178.246 175.800 0.117 0.000 1.090 357 F CA 1.005 59.089 58.000 0.139 0.000 1.307 357 F CB -1.181 37.864 39.000 0.074 0.000 1.019 357 F HN 0.069 nan 8.300 nan 0.000 0.489 358 G N 0.004 108.961 108.800 0.262 0.000 2.514 358 G HA2 -0.278 3.755 3.960 0.122 0.000 0.217 358 G HA3 -0.278 3.755 3.960 0.122 0.000 0.217 358 G C 1.975 176.979 174.900 0.172 0.000 1.198 358 G CA 1.385 46.581 45.100 0.160 0.000 0.780 358 G HN 0.458 nan 8.290 nan 0.000 0.565 359 A N -0.144 122.803 122.820 0.212 0.000 1.883 359 A HA 0.009 4.403 4.320 0.122 0.000 0.217 359 A C 2.645 180.386 177.584 0.262 0.000 1.186 359 A CA 2.182 54.371 52.037 0.253 0.000 0.624 359 A CB -0.750 18.471 19.000 0.367 0.000 0.822 359 A HN 0.337 nan 8.150 nan 0.000 0.444 360 V N -0.133 119.976 119.914 0.325 0.000 2.343 360 V HA -0.173 4.021 4.120 0.122 0.000 0.247 360 V C 2.820 179.004 176.094 0.149 0.000 1.051 360 V CA 1.929 64.393 62.300 0.273 0.000 1.036 360 V CB -1.503 30.560 31.823 0.401 0.000 0.654 360 V HN 0.624 nan 8.190 nan 0.000 0.451 361 G N -0.334 108.556 108.800 0.151 0.000 2.422 361 G HA2 -0.217 3.816 3.960 0.122 0.000 0.218 361 G HA3 -0.217 3.816 3.960 0.122 0.000 0.218 361 G C 1.757 176.694 174.900 0.063 0.000 1.146 361 G CA 1.058 46.207 45.100 0.082 0.000 0.769 361 G HN 0.610 nan 8.290 nan 0.000 0.547 362 A N 0.450 123.320 122.820 0.083 0.000 1.933 362 A HA 0.090 4.484 4.320 0.122 0.000 0.218 362 A C 2.361 179.961 177.584 0.026 0.000 1.175 362 A CA 1.421 53.496 52.037 0.062 0.000 0.628 362 A CB -0.405 18.647 19.000 0.086 0.000 0.814 362 A HN 0.420 nan 8.150 nan 0.000 0.444 363 L N -0.473 120.776 121.223 0.044 0.000 2.046 363 L HA -0.139 4.274 4.340 0.122 0.000 0.208 363 L C 2.290 179.139 176.870 -0.034 0.000 1.077 363 L CA 1.423 56.266 54.840 0.005 0.000 0.747 363 L CB -0.226 41.877 42.059 0.073 0.000 0.896 363 L HN 0.414 nan 8.230 nan 0.000 0.432 364 L N -0.451 120.756 121.223 -0.026 0.000 2.201 364 L HA -0.096 4.317 4.340 0.122 0.000 0.212 364 L C 2.097 178.975 176.870 0.013 0.000 1.105 364 L CA 0.896 55.736 54.840 0.001 0.000 0.775 364 L CB -0.818 41.194 42.059 -0.078 0.000 0.913 364 L HN 0.396 nan 8.230 nan 0.000 0.440 365 G N -0.313 108.480 108.800 -0.011 0.000 3.314 365 G HA2 0.220 4.254 3.960 0.122 0.000 0.238 365 G HA3 0.220 4.254 3.960 0.122 0.000 0.238 365 G C 0.568 175.436 174.900 -0.053 0.000 1.184 365 G CA -0.440 44.654 45.100 -0.011 0.000 0.806 365 G HN 0.070 nan 8.290 nan 0.000 0.536 366 L N 1.072 122.217 121.223 -0.131 0.000 2.514 366 L HA 0.155 4.568 4.340 0.122 0.000 0.280 366 L C -1.722 175.039 176.870 -0.182 0.000 1.223 366 L CA -1.395 53.336 54.840 -0.182 0.000 0.864 366 L CB 0.511 42.397 42.059 -0.289 0.000 1.118 366 L HN -0.016 nan 8.230 nan 0.000 0.494 367 P HA 0.000 nan 4.420 nan 0.000 0.264 367 P C -1.344 175.858 177.300 -0.162 0.000 1.183 367 P CA 0.060 63.084 63.100 -0.127 0.000 0.763 367 P CB 0.384 32.033 31.700 -0.084 0.000 0.807 368 N N 0.000 118.605 118.700 -0.158 0.000 1.763 368 N HA 0.000 4.813 4.740 0.122 0.000 0.220 368 N CA 0.000 52.944 53.050 -0.177 0.000 0.885 368 N CB 0.000 38.346 38.487 -0.236 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667