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 1vdg_1_B DATA FIRST_RESID 1 DATA SEQUENCE GHLPKPTLWA EPGSVITQGS PVTLRcQGGQ ETQEYRLYRE KKTALWITRI DATA SEQUENCE PQELVKKGQF PIPSITWEHA GRYRcYYGSD XAGRSESSDP LELVVTGAYI DATA SEQUENCE KPTLSAQPSP VVNSGGNVIL QcDSQVAFDG FSLcKEXXXX XXQcLNSQPX DATA SEQUENCE XRGSSRAIFS VGPVSPSXRW WYRcYAYDSN SPYEWSLPSD LLELLVL 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.987 174.900 0.145 0.000 0.946 1 G CA 0.000 45.151 45.100 0.085 0.000 0.502 2 H N 0.143 119.236 119.070 0.039 0.000 2.823 2 H HA 0.574 5.130 4.556 -0.000 0.000 0.332 2 H C -1.266 174.105 175.328 0.073 0.000 0.980 2 H CA -0.636 55.438 56.048 0.045 0.000 1.286 2 H CB 1.241 31.030 29.762 0.044 0.000 1.541 2 H HN 0.257 nan 8.280 nan 0.000 0.521 3 L N 7.760 128.909 121.223 -0.123 0.000 2.335 3 L HA 0.306 4.645 4.340 -0.000 0.000 0.268 3 L C -2.316 174.437 176.870 -0.194 0.000 1.037 3 L CA -1.875 52.876 54.840 -0.149 0.000 0.895 3 L CB 1.161 43.155 42.059 -0.108 0.000 1.266 3 L HN 0.520 nan 8.230 nan 0.000 0.439 4 P HA -0.067 nan 4.420 nan 0.000 0.260 4 P C -0.252 177.130 177.300 0.137 0.000 1.185 4 P CA -0.044 63.007 63.100 -0.082 0.000 0.763 4 P CB 0.375 32.039 31.700 -0.061 0.000 0.776 5 K N 5.902 126.373 120.400 0.118 0.000 2.491 5 K HA 0.050 4.370 4.320 -0.000 0.000 0.279 5 K C -2.106 174.636 176.600 0.236 0.000 1.026 5 K CA -1.114 55.262 56.287 0.149 0.000 1.070 5 K CB -0.256 32.315 32.500 0.118 0.000 0.887 5 K HN 0.276 nan 8.250 nan 0.000 0.481 6 P HA 0.051 nan 4.420 nan 0.000 0.272 6 P C -1.085 176.363 177.300 0.247 0.000 1.240 6 P CA -0.278 63.038 63.100 0.360 0.000 0.791 6 P CB 0.643 32.639 31.700 0.494 0.000 0.978 7 T N 1.838 116.541 114.554 0.249 0.000 2.767 7 T HA 0.457 4.806 4.350 -0.000 0.000 0.288 7 T C -0.380 174.538 174.700 0.364 0.000 0.963 7 T CA -0.306 61.944 62.100 0.251 0.000 1.019 7 T CB 0.230 69.209 68.868 0.185 0.000 0.923 7 T HN 0.182 nan 8.240 nan 0.000 0.468 8 L N 5.712 127.104 121.223 0.282 0.000 2.319 8 L HA 0.777 5.117 4.340 -0.000 0.000 0.281 8 L C -1.049 175.987 176.870 0.277 0.000 1.005 8 L CA -0.478 54.474 54.840 0.187 0.000 0.828 8 L CB 0.499 42.578 42.059 0.033 0.000 1.227 8 L HN 0.883 nan 8.230 nan 0.000 0.415 9 W N 4.560 125.828 121.300 -0.053 0.000 3.205 9 W HA 0.966 5.626 4.660 -0.001 0.000 0.336 9 W C -1.500 174.978 176.519 -0.069 0.000 1.171 9 W CA -0.711 56.603 57.345 -0.052 0.000 1.035 9 W CB 1.055 30.491 29.460 -0.040 0.000 1.500 9 W HN 0.699 nan 8.180 nan 0.000 0.602 10 A N 0.619 123.451 122.820 0.020 0.000 2.475 10 A HA 0.710 5.029 4.320 -0.000 0.000 0.301 10 A C -1.426 176.159 177.584 0.001 0.000 1.059 10 A CA -0.922 51.026 52.037 -0.148 0.000 0.710 10 A CB 1.733 20.653 19.000 -0.134 0.000 1.288 10 A HN 0.657 nan 8.150 nan 0.000 0.408 11 E N 2.424 122.576 120.200 -0.081 0.000 2.210 11 E HA 0.358 4.708 4.350 -0.000 0.000 0.266 11 E C -2.150 174.410 176.600 -0.066 0.000 0.883 11 E CA -1.788 54.609 56.400 -0.005 0.000 0.761 11 E CB 2.473 32.184 29.700 0.019 0.000 1.156 11 E HN 0.452 nan 8.360 nan 0.000 0.412 12 P HA 0.047 nan 4.420 nan 0.000 0.241 12 P C 0.164 177.468 177.300 0.007 0.000 1.191 12 P CA 0.407 63.504 63.100 -0.006 0.000 0.771 12 P CB 0.714 32.404 31.700 -0.017 0.000 0.929 13 G N -0.420 108.368 108.800 -0.020 0.000 2.349 13 G HA2 0.243 4.202 3.960 -0.000 0.000 0.294 13 G HA3 0.243 4.202 3.960 -0.000 0.000 0.294 13 G C 0.068 174.932 174.900 -0.061 0.000 1.380 13 G CA 0.079 45.171 45.100 -0.013 0.000 0.811 13 G HN -0.106 nan 8.290 nan 0.000 0.519 14 S N -1.681 113.985 115.700 -0.058 0.000 2.575 14 S HA 0.307 4.777 4.470 -0.000 0.000 0.215 14 S C 0.404 174.893 174.600 -0.186 0.000 0.966 14 S CA 0.244 58.379 58.200 -0.108 0.000 0.911 14 S CB 0.369 63.531 63.200 -0.063 0.000 0.780 14 S HN 0.875 nan 8.310 nan 0.000 0.514 15 V N 3.600 123.412 119.914 -0.169 0.000 2.304 15 V HA 0.489 4.609 4.120 -0.000 0.000 0.278 15 V C -0.887 175.114 176.094 -0.155 0.000 1.018 15 V CA -0.648 61.503 62.300 -0.248 0.000 0.814 15 V CB 0.948 32.670 31.823 -0.170 0.000 1.021 15 V HN 0.378 nan 8.190 nan 0.000 0.440 16 I N 3.778 124.235 120.570 -0.188 0.000 2.436 16 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 16 I C 0.733 176.774 176.117 -0.127 0.000 1.010 16 I CA -0.321 60.891 61.300 -0.146 0.000 1.098 16 I CB 2.156 40.038 38.000 -0.195 0.000 1.266 16 I HN 0.666 nan 8.210 nan 0.000 0.434 17 T N 3.070 117.584 114.554 -0.066 0.000 2.940 17 T HA 0.055 4.405 4.350 -0.000 0.000 0.309 17 T C 0.331 174.949 174.700 -0.136 0.000 1.056 17 T CA -0.322 61.758 62.100 -0.034 0.000 1.137 17 T CB 1.122 69.996 68.868 0.011 0.000 0.976 17 T HN 0.623 nan 8.240 nan 0.000 0.547 18 Q N 1.364 121.056 119.800 -0.181 0.000 2.315 18 Q HA 0.254 4.594 4.340 -0.000 0.000 0.289 18 Q C 1.449 177.289 176.000 -0.266 0.000 1.044 18 Q CA 1.604 57.175 55.803 -0.386 0.000 0.920 18 Q CB 0.027 28.379 28.738 -0.644 0.000 1.214 18 Q HN 1.303 nan 8.270 nan 0.000 0.392 19 G N 2.776 111.398 108.800 -0.297 0.000 2.258 19 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.233 19 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.233 19 G C 0.017 174.805 174.900 -0.186 0.000 1.006 19 G CA 0.189 45.163 45.100 -0.209 0.000 0.620 19 G HN 0.644 nan 8.290 nan 0.000 0.511 20 S N 3.326 118.912 115.700 -0.190 0.000 2.617 20 S HA 0.609 5.079 4.470 -0.000 0.000 0.269 20 S C -1.847 172.622 174.600 -0.218 0.000 1.292 20 S CA -0.453 57.645 58.200 -0.170 0.000 1.010 20 S CB 1.954 65.071 63.200 -0.138 0.000 0.944 20 S HN 0.501 nan 8.310 nan 0.000 0.536 21 P HA 0.490 nan 4.420 nan 0.000 0.278 21 P C -1.122 176.043 177.300 -0.225 0.000 1.258 21 P CA -0.393 62.577 63.100 -0.216 0.000 0.811 21 P CB 1.130 32.735 31.700 -0.158 0.000 1.063 22 V N 0.437 120.191 119.914 -0.265 0.000 3.023 22 V HA 0.394 4.514 4.120 -0.000 0.000 0.294 22 V C -1.435 174.503 176.094 -0.259 0.000 1.324 22 V CA -0.187 61.961 62.300 -0.254 0.000 0.979 22 V CB 2.377 34.019 31.823 -0.302 0.000 1.093 22 V HN 0.599 nan 8.190 nan 0.000 0.434 23 T N 7.469 121.898 114.554 -0.209 0.000 2.847 23 T HA 0.564 4.913 4.350 -0.000 0.000 0.291 23 T C -0.581 173.975 174.700 -0.241 0.000 0.998 23 T CA -0.301 61.685 62.100 -0.190 0.000 0.967 23 T CB 0.903 69.680 68.868 -0.152 0.000 0.954 23 T HN 0.580 nan 8.240 nan 0.000 0.441 24 L N 4.169 125.268 121.223 -0.207 0.000 2.290 24 L HA 0.557 4.897 4.340 -0.000 0.000 0.284 24 L C 0.539 177.188 176.870 -0.369 0.000 1.078 24 L CA -0.853 53.809 54.840 -0.297 0.000 0.815 24 L CB 0.481 42.395 42.059 -0.242 0.000 1.162 24 L HN 0.300 nan 8.230 nan 0.000 0.435 25 R N 2.144 122.169 120.500 -0.792 0.000 2.514 25 R HA 0.459 4.799 4.340 -0.000 0.000 0.301 25 R C -1.047 174.727 176.300 -0.878 0.000 0.962 25 R CA -0.494 54.956 56.100 -1.084 0.000 0.882 25 R CB 2.006 30.942 30.300 -2.274 0.000 1.143 25 R HN 0.658 nan 8.270 nan 0.000 0.452 26 c N 3.347 121.622 118.600 -0.541 0.000 2.407 26 c HA 0.452 5.022 4.570 -0.000 0.000 0.328 26 c C -0.558 173.227 174.090 -0.508 0.000 1.137 26 c CA -0.258 55.867 56.329 -0.341 0.000 1.390 26 c CB 0.557 42.897 42.510 -0.284 0.000 1.989 26 c HN 0.794 nan 8.230 nan 0.000 0.432 27 Q N 3.215 122.968 119.800 -0.079 0.000 2.433 27 Q HA 0.737 5.077 4.340 -0.000 0.000 0.279 27 Q C 0.058 176.196 176.000 0.230 0.000 1.105 27 Q CA -0.254 55.538 55.803 -0.019 0.000 0.815 27 Q CB 2.496 31.388 28.738 0.258 0.000 1.403 27 Q HN 0.939 nan 8.270 nan 0.000 0.435 28 G N -0.231 108.748 108.800 0.298 0.000 3.265 28 G HA2 0.413 4.372 3.960 -0.000 0.000 0.171 28 G HA3 0.413 4.372 3.960 -0.000 0.000 0.171 28 G C 0.260 175.186 174.900 0.042 0.000 1.110 28 G CA 0.239 45.429 45.100 0.151 0.000 0.855 28 G HN 0.693 nan 8.290 nan 0.000 0.658 29 G N -0.534 108.207 108.800 -0.097 0.000 2.473 29 G HA2 0.190 4.150 3.960 -0.000 0.000 0.212 29 G HA3 0.190 4.150 3.960 -0.000 0.000 0.212 29 G C 0.968 175.843 174.900 -0.042 0.000 1.211 29 G CA 0.646 45.707 45.100 -0.064 0.000 0.813 29 G HN 0.480 nan 8.290 nan 0.000 0.541 30 Q N -0.090 119.662 119.800 -0.081 0.000 2.226 30 Q HA 0.191 4.531 4.340 -0.000 0.000 0.171 30 Q C 1.533 177.533 176.000 -0.001 0.000 1.077 30 Q CA -0.155 55.622 55.803 -0.044 0.000 1.135 30 Q CB 0.336 29.033 28.738 -0.069 0.000 1.413 30 Q HN 0.448 nan 8.270 nan 0.000 0.589 31 E N 0.110 120.310 120.200 -0.001 0.000 2.299 31 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 31 E C 0.364 176.987 176.600 0.038 0.000 0.998 31 E CA 0.723 57.135 56.400 0.020 0.000 0.851 31 E CB 0.353 30.057 29.700 0.007 0.000 0.795 31 E HN 0.519 nan 8.360 nan 0.000 0.492 32 T N -0.684 113.878 114.554 0.013 0.000 3.395 32 T HA 0.248 4.598 4.350 -0.000 0.000 0.330 32 T C -1.354 173.288 174.700 -0.097 0.000 1.076 32 T CA -0.858 61.252 62.100 0.016 0.000 1.070 32 T CB 1.587 70.456 68.868 0.001 0.000 1.119 32 T HN -0.107 nan 8.240 nan 0.000 0.462 33 Q N 1.685 121.342 119.800 -0.237 0.000 2.484 33 Q HA 0.432 4.772 4.340 -0.000 0.000 0.285 33 Q C -0.767 174.976 176.000 -0.428 0.000 1.097 33 Q CA -1.146 54.358 55.803 -0.499 0.000 0.802 33 Q CB 1.953 30.084 28.738 -1.012 0.000 1.444 33 Q HN 0.558 nan 8.270 nan 0.000 0.429 34 E N 1.727 121.786 120.200 -0.236 0.000 1.999 34 E HA 0.083 4.433 4.350 -0.000 0.000 0.296 34 E C -1.022 175.545 176.600 -0.055 0.000 1.187 34 E CA 0.186 56.537 56.400 -0.081 0.000 1.229 34 E CB -0.816 28.881 29.700 -0.005 0.000 1.131 34 E HN 0.317 nan 8.360 nan 0.000 0.478 35 Y N 0.632 120.992 120.300 0.099 0.000 2.457 35 Y HA 0.152 4.701 4.550 -0.000 0.000 0.341 35 Y C 1.232 177.143 175.900 0.019 0.000 1.240 35 Y CA 0.198 58.361 58.100 0.104 0.000 1.437 35 Y CB 0.917 39.492 38.460 0.193 0.000 1.328 35 Y HN 0.009 nan 8.280 nan 0.000 0.588 36 R N 2.577 123.054 120.500 -0.038 0.000 2.518 36 R HA 0.337 4.676 4.340 -0.000 0.000 0.296 36 R C -1.955 174.177 176.300 -0.280 0.000 1.080 36 R CA -0.947 55.007 56.100 -0.244 0.000 0.922 36 R CB 1.283 31.182 30.300 -0.669 0.000 1.184 36 R HN 0.521 nan 8.270 nan 0.000 0.445 37 L N 5.192 126.231 121.223 -0.307 0.000 2.307 37 L HA 0.532 4.871 4.340 -0.000 0.000 0.282 37 L C -1.260 175.537 176.870 -0.121 0.000 1.051 37 L CA -0.284 54.277 54.840 -0.465 0.000 0.804 37 L CB 0.849 42.163 42.059 -1.240 0.000 1.197 37 L HN 0.554 nan 8.230 nan 0.000 0.431 38 Y N 2.373 122.577 120.300 -0.160 0.000 2.581 38 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 38 Y C -1.025 174.786 175.900 -0.150 0.000 1.108 38 Y CA -1.321 56.709 58.100 -0.118 0.000 1.033 38 Y CB 1.009 39.431 38.460 -0.063 0.000 1.318 38 Y HN 0.687 nan 8.280 nan 0.000 0.459 39 R N 1.845 122.199 120.500 -0.244 0.000 2.598 39 R HA 0.437 4.776 4.340 -0.000 0.000 0.279 39 R C -0.911 175.241 176.300 -0.247 0.000 0.984 39 R CA -0.567 55.155 56.100 -0.629 0.000 0.999 39 R CB 1.406 31.182 30.300 -0.873 0.000 1.114 39 R HN 0.948 nan 8.270 nan 0.000 0.493 40 E N 2.045 122.073 120.200 -0.286 0.000 2.318 40 E HA 0.096 4.446 4.350 -0.000 0.000 0.265 40 E C -0.134 176.409 176.600 -0.095 0.000 1.069 40 E CA -0.646 55.697 56.400 -0.096 0.000 0.893 40 E CB 0.950 30.605 29.700 -0.074 0.000 1.076 40 E HN 0.532 nan 8.360 nan 0.000 0.414 41 K N -0.037 120.347 120.400 -0.026 0.000 3.553 41 K HA -0.255 4.065 4.320 -0.000 0.000 0.280 41 K C -0.103 176.486 176.600 -0.019 0.000 1.061 41 K CA 1.786 58.066 56.287 -0.011 0.000 1.101 41 K CB -1.112 31.392 32.500 0.006 0.000 1.421 41 K HN 0.623 nan 8.250 nan 0.000 0.440 42 K N 0.867 121.237 120.400 -0.050 0.000 2.571 42 K HA 0.179 4.498 4.320 -0.000 0.000 0.252 42 K C -0.786 175.778 176.600 -0.061 0.000 0.956 42 K CA 0.093 56.357 56.287 -0.039 0.000 0.822 42 K CB 1.731 34.217 32.500 -0.024 0.000 1.286 42 K HN 0.055 nan 8.250 nan 0.000 0.439 43 T N 1.435 115.968 114.554 -0.035 0.000 2.928 43 T HA 0.342 4.692 4.350 -0.000 0.000 0.305 43 T C -0.044 174.635 174.700 -0.034 0.000 1.035 43 T CA -0.142 61.936 62.100 -0.038 0.000 1.145 43 T CB 0.623 69.477 68.868 -0.024 0.000 0.963 43 T HN 0.545 nan 8.240 nan 0.000 0.545 44 A N 5.912 128.695 122.820 -0.063 0.000 2.444 44 A HA 0.494 4.813 4.320 -0.000 0.000 0.332 44 A C 1.459 178.964 177.584 -0.132 0.000 1.430 44 A CA -0.776 51.238 52.037 -0.039 0.000 0.975 44 A CB -0.173 18.806 19.000 -0.036 0.000 1.147 44 A HN 1.001 nan 8.150 nan 0.000 0.524 45 L N 2.470 123.693 121.223 -0.001 0.000 2.042 45 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 45 L C 2.675 179.560 176.870 0.024 0.000 1.076 45 L CA 1.782 56.627 54.840 0.007 0.000 0.749 45 L CB -0.435 41.655 42.059 0.053 0.000 0.893 45 L HN 1.045 nan 8.230 nan 0.000 0.432 46 W N 0.986 122.313 121.300 0.044 0.000 2.341 46 W HA -0.216 4.444 4.660 -0.000 0.000 0.283 46 W C 1.739 178.322 176.519 0.106 0.000 1.215 46 W CA 0.859 58.252 57.345 0.080 0.000 1.211 46 W CB -1.082 28.464 29.460 0.143 0.000 1.131 46 W HN 0.179 nan 8.180 nan 0.000 0.552 47 I N 2.197 122.287 120.570 -0.799 0.000 2.493 47 I HA -0.244 3.926 4.170 -0.000 0.000 0.254 47 I C 2.713 178.713 176.117 -0.195 0.000 1.160 47 I CA 2.101 62.963 61.300 -0.730 0.000 1.445 47 I CB -0.888 36.654 38.000 -0.764 0.000 1.086 47 I HN 0.040 nan 8.210 nan 0.000 0.433 48 T N -1.695 112.787 114.554 -0.121 0.000 3.055 48 T HA -0.026 4.323 4.350 -0.000 0.000 0.265 48 T C 1.779 176.481 174.700 0.003 0.000 1.111 48 T CA 0.403 62.480 62.100 -0.039 0.000 1.118 48 T CB -0.205 68.645 68.868 -0.030 0.000 0.909 48 T HN 0.307 nan 8.240 nan 0.000 0.501 49 R N 0.427 120.951 120.500 0.040 0.000 2.310 49 R HA 0.281 4.621 4.340 -0.000 0.000 0.202 49 R C -0.087 176.245 176.300 0.052 0.000 0.933 49 R CA -0.140 55.996 56.100 0.061 0.000 1.054 49 R CB 0.031 30.397 30.300 0.110 0.000 0.985 49 R HN 0.371 nan 8.270 nan 0.000 0.489 50 I N 2.909 123.501 120.570 0.037 0.000 2.452 50 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 50 I C -2.000 174.081 176.117 -0.060 0.000 1.079 50 I CA -3.336 57.957 61.300 -0.011 0.000 1.387 50 I CB 0.250 38.217 38.000 -0.056 0.000 1.404 50 I HN -0.251 nan 8.210 nan 0.000 0.522 51 P HA 0.017 nan 4.420 nan 0.000 0.266 51 P C 0.630 177.873 177.300 -0.095 0.000 1.193 51 P CA -0.195 62.867 63.100 -0.064 0.000 0.770 51 P CB 0.575 32.240 31.700 -0.058 0.000 0.836 52 Q N 1.361 121.120 119.800 -0.068 0.000 2.291 52 Q HA -0.158 4.181 4.340 -0.000 0.000 0.205 52 Q C 1.516 177.469 176.000 -0.078 0.000 0.970 52 Q CA 1.500 57.262 55.803 -0.068 0.000 0.876 52 Q CB -0.301 28.413 28.738 -0.039 0.000 0.935 52 Q HN 0.499 nan 8.270 nan 0.000 0.455 53 E N 0.159 120.315 120.200 -0.074 0.000 2.077 53 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 53 E C 1.962 178.503 176.600 -0.099 0.000 0.989 53 E CA 0.846 57.205 56.400 -0.069 0.000 0.800 53 E CB -0.135 29.530 29.700 -0.058 0.000 0.746 53 E HN 0.287 nan 8.360 nan 0.000 0.452 54 L N -0.527 120.607 121.223 -0.148 0.000 2.068 54 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 54 L C 2.267 178.944 176.870 -0.323 0.000 1.076 54 L CA 0.449 55.158 54.840 -0.218 0.000 0.753 54 L CB -0.488 41.420 42.059 -0.252 0.000 0.910 54 L HN 0.044 nan 8.230 nan 0.000 0.439 55 V N 0.608 120.289 119.914 -0.388 0.000 2.278 55 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 55 V C 2.456 178.495 176.094 -0.092 0.000 1.062 55 V CA 2.031 64.070 62.300 -0.436 0.000 1.038 55 V CB -0.742 30.937 31.823 -0.240 0.000 0.646 55 V HN 0.461 nan 8.190 nan 0.000 0.447 56 K N -0.060 120.324 120.400 -0.028 0.000 2.211 56 K HA -0.141 4.178 4.320 -0.000 0.000 0.204 56 K C 1.898 178.588 176.600 0.150 0.000 1.047 56 K CA 0.984 57.312 56.287 0.069 0.000 0.935 56 K CB -0.175 32.330 32.500 0.009 0.000 0.728 56 K HN 0.400 nan 8.250 nan 0.000 0.452 57 K N -0.269 120.149 120.400 0.031 0.000 2.444 57 K HA 0.044 4.363 4.320 -0.000 0.000 0.193 57 K C 0.789 177.340 176.600 -0.082 0.000 1.024 57 K CA 0.683 56.978 56.287 0.014 0.000 1.077 57 K CB 0.817 33.288 32.500 -0.048 0.000 0.833 57 K HN 0.374 nan 8.250 nan 0.000 0.517 58 G N 2.397 111.118 108.800 -0.132 0.000 2.176 58 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 58 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 58 G C -0.297 174.478 174.900 -0.208 0.000 1.024 58 G CA 0.142 45.039 45.100 -0.338 0.000 0.755 58 G HN 0.390 nan 8.290 nan 0.000 0.507 59 Q N -1.055 118.518 119.800 -0.378 0.000 2.293 59 Q HA 0.690 5.030 4.340 -0.000 0.000 0.261 59 Q C -0.892 174.814 176.000 -0.490 0.000 0.960 59 Q CA -0.589 55.042 55.803 -0.286 0.000 0.882 59 Q CB 1.148 29.749 28.738 -0.228 0.000 1.275 59 Q HN 0.252 nan 8.270 nan 0.000 0.445 60 F N 2.856 122.733 119.950 -0.121 0.000 2.769 60 F HA 0.283 4.809 4.527 -0.000 0.000 0.358 60 F C -2.245 173.605 175.800 0.084 0.000 1.285 60 F CA -2.211 55.805 58.000 0.026 0.000 1.199 60 F CB 1.074 40.091 39.000 0.029 0.000 1.558 60 F HN 0.291 nan 8.300 nan 0.000 0.583 61 P HA 0.311 nan 4.420 nan 0.000 0.275 61 P C -0.326 176.918 177.300 -0.093 0.000 1.228 61 P CA -0.007 63.074 63.100 -0.030 0.000 0.786 61 P CB 2.073 33.736 31.700 -0.062 0.000 0.927 62 I N 4.191 124.579 120.570 -0.303 0.000 2.521 62 I HA 0.184 4.354 4.170 -0.000 0.000 0.277 62 I C -1.713 174.179 176.117 -0.376 0.000 1.054 62 I CA -2.460 58.540 61.300 -0.501 0.000 1.117 62 I CB 2.084 39.509 38.000 -0.959 0.000 1.217 62 I HN 0.105 nan 8.210 nan 0.000 0.469 63 P HA -0.161 nan 4.420 nan 0.000 0.215 63 P C 0.429 177.601 177.300 -0.215 0.000 1.163 63 P CA 1.240 64.229 63.100 -0.186 0.000 0.894 63 P CB 0.295 31.922 31.700 -0.123 0.000 0.791 64 S N -1.190 114.360 115.700 -0.250 0.000 2.789 64 S HA 0.390 4.859 4.470 -0.000 0.000 0.286 64 S C -0.536 173.848 174.600 -0.361 0.000 1.153 64 S CA -0.880 57.171 58.200 -0.248 0.000 1.084 64 S CB -0.440 62.663 63.200 -0.161 0.000 1.036 64 S HN -0.094 nan 8.310 nan 0.000 0.484 65 I N 5.256 125.551 120.570 -0.458 0.000 2.634 65 I HA 0.379 4.549 4.170 -0.000 0.000 0.284 65 I C 0.674 176.572 176.117 -0.365 0.000 1.124 65 I CA 0.523 61.461 61.300 -0.603 0.000 1.417 65 I CB 1.043 38.709 38.000 -0.556 0.000 1.396 65 I HN 0.772 nan 8.210 nan 0.000 0.571 66 T N 1.525 116.053 114.554 -0.043 0.000 2.831 66 T HA 0.316 4.666 4.350 -0.000 0.000 0.287 66 T C 0.564 175.102 174.700 -0.271 0.000 1.070 66 T CA -0.657 61.265 62.100 -0.296 0.000 1.010 66 T CB 0.668 69.450 68.868 -0.143 0.000 1.264 66 T HN 0.687 nan 8.240 nan 0.000 0.532 67 W N 0.216 121.530 121.300 0.023 0.000 2.338 67 W HA 0.005 4.664 4.660 -0.001 0.000 0.304 67 W C 2.429 178.950 176.519 0.003 0.000 1.212 67 W CA 1.061 58.410 57.345 0.006 0.000 1.264 67 W CB -0.298 29.158 29.460 -0.006 0.000 1.142 67 W HN 0.803 nan 8.180 nan 0.000 0.512 68 E N -0.143 120.132 120.200 0.125 0.000 2.396 68 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 68 E C 1.646 178.212 176.600 -0.056 0.000 1.023 68 E CA 1.347 57.753 56.400 0.010 0.000 0.857 68 E CB -0.569 29.087 29.700 -0.073 0.000 0.775 68 E HN 0.377 nan 8.360 nan 0.000 0.525 69 H N -0.505 118.563 119.070 -0.004 0.000 2.525 69 H HA 0.290 4.846 4.556 -0.000 0.000 0.275 69 H C 0.558 175.923 175.328 0.061 0.000 0.984 69 H CA 0.631 56.643 56.048 -0.060 0.000 1.264 69 H CB -0.177 29.379 29.762 -0.344 0.000 1.432 69 H HN 0.206 nan 8.280 nan 0.000 0.549 70 A N 1.073 123.986 122.820 0.155 0.000 2.520 70 A HA 0.447 4.767 4.320 -0.000 0.000 0.235 70 A C 0.966 178.557 177.584 0.012 0.000 1.065 70 A CA 0.919 53.016 52.037 0.100 0.000 0.764 70 A CB 0.006 19.099 19.000 0.154 0.000 1.002 70 A HN 0.525 nan 8.150 nan 0.000 0.502 71 G N 0.239 108.882 108.800 -0.262 0.000 2.336 71 G HA2 0.389 4.349 3.960 -0.000 0.000 0.300 71 G HA3 0.389 4.349 3.960 -0.000 0.000 0.300 71 G C -0.961 173.469 174.900 -0.784 0.000 1.375 71 G CA -0.849 43.831 45.100 -0.700 0.000 0.885 71 G HN 0.856 nan 8.290 nan 0.000 0.599 72 R N 0.302 120.328 120.500 -0.789 0.000 2.207 72 R HA 0.620 4.960 4.340 -0.000 0.000 0.334 72 R C -0.970 175.079 176.300 -0.419 0.000 1.013 72 R CA -0.400 55.450 56.100 -0.416 0.000 0.858 72 R CB 0.268 30.434 30.300 -0.223 0.000 1.094 72 R HN 0.468 nan 8.270 nan 0.000 0.457 73 Y N 2.313 122.466 120.300 -0.245 0.000 2.567 73 Y HA 0.594 5.144 4.550 -0.000 0.000 0.333 73 Y C 0.435 176.120 175.900 -0.357 0.000 1.106 73 Y CA -0.755 57.157 58.100 -0.313 0.000 1.157 73 Y CB 1.782 40.092 38.460 -0.250 0.000 1.277 73 Y HN 0.411 nan 8.280 nan 0.000 0.490 74 R N 0.136 120.374 120.500 -0.437 0.000 2.752 74 R HA 0.799 5.139 4.340 -0.000 0.000 0.271 74 R C -1.708 174.310 176.300 -0.470 0.000 1.026 74 R CA -0.697 55.155 56.100 -0.413 0.000 0.901 74 R CB 2.013 32.041 30.300 -0.454 0.000 1.243 74 R HN 0.937 nan 8.270 nan 0.000 0.463 75 c N -0.801 117.741 118.600 -0.096 0.000 3.321 75 c HA 0.877 5.446 4.570 -0.000 0.000 0.329 75 c C -1.717 172.540 174.090 0.277 0.000 1.394 75 c CA -1.002 55.353 56.329 0.044 0.000 1.291 75 c CB 1.041 43.477 42.510 -0.123 0.000 1.606 75 c HN 0.956 nan 8.230 nan 0.000 0.463 76 Y N -1.409 119.028 120.300 0.228 0.000 2.725 76 Y HA 0.840 5.390 4.550 -0.000 0.000 0.333 76 Y C -1.216 174.813 175.900 0.215 0.000 1.242 76 Y CA -1.283 56.910 58.100 0.155 0.000 1.059 76 Y CB 0.513 38.997 38.460 0.040 0.000 1.306 76 Y HN 1.219 nan 8.280 nan 0.000 0.454 77 Y N -0.349 120.098 120.300 0.245 0.000 2.581 77 Y HA 0.984 5.533 4.550 -0.000 0.000 0.345 77 Y C 0.115 176.077 175.900 0.105 0.000 1.036 77 Y CA -1.200 56.910 58.100 0.018 0.000 1.042 77 Y CB 1.641 39.938 38.460 -0.272 0.000 1.289 77 Y HN 1.581 nan 8.280 nan 0.000 0.471 78 G N 0.572 109.495 108.800 0.205 0.000 2.396 78 G HA2 0.351 4.311 3.960 -0.000 0.000 0.254 78 G HA3 0.351 4.311 3.960 -0.000 0.000 0.254 78 G C -1.144 173.824 174.900 0.113 0.000 1.248 78 G CA -0.445 44.738 45.100 0.138 0.000 1.033 78 G HN 1.646 nan 8.290 nan 0.000 0.502 79 S N -0.396 115.345 115.700 0.069 0.000 2.546 79 S HA 0.607 5.077 4.470 -0.000 0.000 0.274 79 S C -0.412 174.198 174.600 0.016 0.000 1.121 79 S CA 0.233 58.464 58.200 0.052 0.000 0.887 79 S CB 1.636 64.858 63.200 0.036 0.000 1.094 79 S HN 0.804 nan 8.310 nan 0.000 0.474 83 G N 0.742 109.544 108.800 0.005 0.000 2.873 83 G HA2 0.435 4.395 3.960 -0.000 0.000 0.507 83 G HA3 0.435 4.395 3.960 -0.000 0.000 0.507 83 G C -0.847 174.033 174.900 -0.034 0.000 1.440 83 G CA -0.373 44.719 45.100 -0.013 0.000 1.016 83 G HN 1.106 nan 8.290 nan 0.000 0.615 84 R N 0.855 121.306 120.500 -0.082 0.000 2.604 84 R HA 0.838 5.178 4.340 -0.000 0.000 0.287 84 R C 0.627 176.784 176.300 -0.239 0.000 0.970 84 R CA -0.240 55.782 56.100 -0.131 0.000 0.946 84 R CB 1.757 31.990 30.300 -0.112 0.000 1.127 84 R HN 0.931 nan 8.270 nan 0.000 0.473 85 S N 0.877 116.327 115.700 -0.416 0.000 2.655 85 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 85 S C 0.089 174.577 174.600 -0.186 0.000 1.240 85 S CA -0.820 57.145 58.200 -0.392 0.000 0.986 85 S CB 0.916 63.657 63.200 -0.765 0.000 0.985 85 S HN 0.693 nan 8.310 nan 0.000 0.562 86 E N 0.392 120.536 120.200 -0.093 0.000 2.410 86 E HA 0.250 4.600 4.350 -0.000 0.000 0.255 86 E C -0.187 176.444 176.600 0.052 0.000 1.194 86 E CA -0.175 56.207 56.400 -0.029 0.000 0.955 86 E CB 0.482 30.192 29.700 0.016 0.000 0.988 86 E HN 0.587 nan 8.360 nan 0.000 0.461 87 S N 0.763 116.523 115.700 0.101 0.000 2.580 87 S HA 0.095 4.564 4.470 -0.000 0.000 0.274 87 S C 0.033 174.728 174.600 0.158 0.000 1.329 87 S CA -0.717 57.617 58.200 0.224 0.000 1.036 87 S CB 1.051 64.422 63.200 0.285 0.000 0.919 87 S HN 0.552 nan 8.310 nan 0.000 0.515 88 S N 2.298 118.096 115.700 0.162 0.000 2.598 88 S HA 0.130 4.600 4.470 -0.000 0.000 0.256 88 S C -0.285 174.367 174.600 0.087 0.000 1.350 88 S CA -0.703 57.573 58.200 0.126 0.000 0.984 88 S CB 0.094 63.367 63.200 0.121 0.000 0.930 88 S HN 0.625 nan 8.310 nan 0.000 0.577 89 D N 2.757 123.207 120.400 0.084 0.000 2.399 89 D HA 0.272 4.912 4.640 -0.000 0.000 0.241 89 D C -1.951 174.378 176.300 0.050 0.000 1.133 89 D CA -0.786 53.255 54.000 0.069 0.000 0.890 89 D CB 0.225 41.069 40.800 0.073 0.000 1.201 89 D HN 0.445 nan 8.370 nan 0.000 0.432 90 P HA 0.131 nan 4.420 nan 0.000 0.272 90 P C -0.656 176.669 177.300 0.042 0.000 1.223 90 P CA -0.465 62.646 63.100 0.019 0.000 0.784 90 P CB 0.819 32.534 31.700 0.026 0.000 0.923 91 L N 1.392 122.636 121.223 0.034 0.000 2.372 91 L HA 0.379 4.719 4.340 -0.000 0.000 0.274 91 L C -0.308 176.600 176.870 0.064 0.000 0.988 91 L CA -0.323 54.546 54.840 0.047 0.000 0.833 91 L CB 1.415 43.483 42.059 0.014 0.000 1.236 91 L HN 0.239 nan 8.230 nan 0.000 0.410 92 E N 5.175 125.427 120.200 0.086 0.000 2.089 92 E HA 0.234 4.584 4.350 -0.000 0.000 0.284 92 E C -1.027 175.602 176.600 0.049 0.000 1.023 92 E CA -0.651 55.825 56.400 0.127 0.000 0.819 92 E CB 1.621 31.526 29.700 0.343 0.000 1.076 92 E HN 0.398 nan 8.360 nan 0.000 0.396 93 L N 5.236 126.455 121.223 -0.007 0.000 2.261 93 L HA 0.202 4.542 4.340 -0.000 0.000 0.289 93 L C -0.901 175.911 176.870 -0.097 0.000 1.059 93 L CA -0.412 54.381 54.840 -0.077 0.000 0.816 93 L CB 0.949 42.957 42.059 -0.084 0.000 1.191 93 L HN 0.224 nan 8.230 nan 0.000 0.431 94 V N 5.706 125.468 119.914 -0.254 0.000 2.612 94 V HA 0.553 4.672 4.120 -0.000 0.000 0.301 94 V C -0.268 175.602 176.094 -0.373 0.000 1.046 94 V CA -0.696 61.322 62.300 -0.469 0.000 0.946 94 V CB 1.937 33.051 31.823 -1.180 0.000 1.003 94 V HN 0.463 nan 8.190 nan 0.000 0.459 95 V N 3.329 123.092 119.914 -0.251 0.000 2.444 95 V HA 0.532 4.652 4.120 -0.000 0.000 0.294 95 V C 0.213 176.349 176.094 0.070 0.000 1.022 95 V CA -0.418 61.820 62.300 -0.104 0.000 0.850 95 V CB 2.116 33.918 31.823 -0.034 0.000 0.992 95 V HN 1.065 nan 8.190 nan 0.000 0.426 96 T N 0.537 115.137 114.554 0.076 0.000 2.944 96 T HA 0.716 5.066 4.350 -0.000 0.000 0.284 96 T C 0.818 175.746 174.700 0.380 0.000 1.010 96 T CA 0.164 62.427 62.100 0.273 0.000 1.025 96 T CB 1.691 70.724 68.868 0.274 0.000 1.079 96 T HN 1.906 nan 8.240 nan 0.000 0.516 97 G N -0.321 108.731 108.800 0.420 0.000 2.138 97 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.193 97 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.193 97 G C 0.772 175.870 174.900 0.330 0.000 0.998 97 G CA 0.107 45.428 45.100 0.368 0.000 0.668 97 G HN 1.341 nan 8.290 nan 0.000 0.516 98 A N -1.178 121.673 122.820 0.053 0.000 2.030 98 A HA 0.650 4.969 4.320 -0.000 0.000 0.215 98 A C 0.841 178.034 177.584 -0.652 0.000 1.164 98 A CA 1.231 52.857 52.037 -0.685 0.000 0.697 98 A CB 0.057 18.247 19.000 -1.350 0.000 0.827 98 A HN 0.773 nan 8.150 nan 0.000 0.457 99 Y N -1.038 119.288 120.300 0.042 0.000 2.693 99 Y HA 0.560 5.110 4.550 -0.001 0.000 0.331 99 Y C 0.355 176.318 175.900 0.106 0.000 1.092 99 Y CA -1.556 56.599 58.100 0.091 0.000 1.131 99 Y CB 0.733 39.250 38.460 0.095 0.000 1.318 99 Y HN 0.196 nan 8.280 nan 0.000 0.510 100 I N 0.571 121.341 120.570 0.335 0.000 2.692 100 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 100 I C -0.131 176.094 176.117 0.182 0.000 1.159 100 I CA -0.849 60.581 61.300 0.216 0.000 1.423 100 I CB 0.630 38.748 38.000 0.196 0.000 1.380 100 I HN 0.570 nan 8.210 nan 0.000 0.580 101 K N 6.376 126.850 120.400 0.123 0.000 2.326 101 K HA 0.464 4.784 4.320 -0.000 0.000 0.275 101 K C -2.557 174.086 176.600 0.072 0.000 1.018 101 K CA -1.254 55.078 56.287 0.076 0.000 0.962 101 K CB 0.406 32.929 32.500 0.038 0.000 0.953 101 K HN 0.488 nan 8.250 nan 0.000 0.475 102 P HA 0.064 nan 4.420 nan 0.000 0.280 102 P C -0.865 176.460 177.300 0.043 0.000 1.272 102 P CA -0.507 62.645 63.100 0.087 0.000 0.819 102 P CB 1.411 33.189 31.700 0.130 0.000 1.122 103 T N 0.702 115.286 114.554 0.049 0.000 2.829 103 T HA 0.479 4.829 4.350 -0.000 0.000 0.282 103 T C -0.804 173.901 174.700 0.008 0.000 0.990 103 T CA -0.551 61.560 62.100 0.019 0.000 1.028 103 T CB -0.031 68.848 68.868 0.019 0.000 0.951 103 T HN 0.243 nan 8.240 nan 0.000 0.460 104 L N 5.179 126.397 121.223 -0.008 0.000 2.333 104 L HA 0.770 5.110 4.340 -0.000 0.000 0.280 104 L C -0.446 176.415 176.870 -0.015 0.000 1.004 104 L CA -0.059 54.773 54.840 -0.014 0.000 0.820 104 L CB 1.614 43.660 42.059 -0.023 0.000 1.247 104 L HN 0.763 nan 8.230 nan 0.000 0.416 105 S N 3.558 119.247 115.700 -0.020 0.000 2.570 105 S HA 0.949 5.419 4.470 -0.000 0.000 0.286 105 S C -0.366 174.215 174.600 -0.033 0.000 1.099 105 S CA -0.500 57.687 58.200 -0.022 0.000 0.913 105 S CB 1.520 64.708 63.200 -0.020 0.000 1.085 105 S HN 1.013 nan 8.310 nan 0.000 0.480 106 A N 1.802 124.602 122.820 -0.033 0.000 2.388 106 A HA 0.578 4.898 4.320 -0.000 0.000 0.257 106 A C -0.062 177.498 177.584 -0.040 0.000 1.095 106 A CA -0.409 51.601 52.037 -0.044 0.000 0.791 106 A CB 0.150 19.128 19.000 -0.036 0.000 1.029 106 A HN 0.721 nan 8.150 nan 0.000 0.489 107 Q N 1.891 121.664 119.800 -0.045 0.000 2.558 107 Q HA 0.254 4.594 4.340 -0.000 0.000 0.252 107 Q C -2.223 173.752 176.000 -0.042 0.000 1.015 107 Q CA -1.236 54.543 55.803 -0.041 0.000 0.720 107 Q CB 1.548 30.261 28.738 -0.041 0.000 1.215 107 Q HN 0.536 nan 8.270 nan 0.000 0.500 108 P HA -0.025 nan 4.420 nan 0.000 0.235 108 P C -0.314 176.968 177.300 -0.030 0.000 1.177 108 P CA 0.581 63.662 63.100 -0.032 0.000 0.785 108 P CB 0.647 32.330 31.700 -0.030 0.000 0.885 109 S N -3.639 112.040 115.700 -0.035 0.000 2.580 109 S HA 0.273 4.743 4.470 -0.000 0.000 0.281 109 S C -2.819 171.761 174.600 -0.033 0.000 1.129 109 S CA -1.070 57.112 58.200 -0.029 0.000 0.862 109 S CB 1.003 64.189 63.200 -0.023 0.000 1.090 109 S HN -0.301 nan 8.310 nan 0.000 0.451 110 P HA 0.074 nan 4.420 nan 0.000 0.229 110 P C -0.143 177.153 177.300 -0.006 0.000 1.150 110 P CA 0.644 63.741 63.100 -0.005 0.000 0.765 110 P CB -0.029 31.684 31.700 0.022 0.000 0.783 111 V N 1.200 121.104 119.914 -0.016 0.000 2.311 111 V HA 0.279 4.399 4.120 -0.000 0.000 0.275 111 V C 0.227 176.296 176.094 -0.043 0.000 1.022 111 V CA -0.749 61.539 62.300 -0.019 0.000 0.830 111 V CB 1.369 33.188 31.823 -0.007 0.000 1.012 111 V HN -0.131 nan 8.190 nan 0.000 0.452 112 V N 2.200 122.072 119.914 -0.069 0.000 2.914 112 V HA 0.667 4.787 4.120 -0.000 0.000 0.314 112 V C -0.154 175.886 176.094 -0.090 0.000 1.084 112 V CA -1.087 61.159 62.300 -0.090 0.000 0.963 112 V CB 2.265 34.008 31.823 -0.132 0.000 1.025 112 V HN 0.650 nan 8.190 nan 0.000 0.432 113 N N 2.221 120.876 118.700 -0.075 0.000 2.483 113 N HA 0.098 4.838 4.740 -0.000 0.000 0.264 113 N C 0.333 175.796 175.510 -0.079 0.000 1.197 113 N CA 0.278 53.292 53.050 -0.061 0.000 0.927 113 N CB 1.390 39.850 38.487 -0.045 0.000 1.065 113 N HN 0.943 nan 8.380 nan 0.000 0.461 114 S N 0.839 116.503 115.700 -0.060 0.000 2.558 114 S HA 0.169 4.639 4.470 -0.000 0.000 0.291 114 S C 1.452 176.021 174.600 -0.052 0.000 1.306 114 S CA 0.955 59.121 58.200 -0.058 0.000 1.056 114 S CB -0.070 63.119 63.200 -0.018 0.000 0.836 114 S HN 0.815 nan 8.310 nan 0.000 0.504 115 G N 2.860 111.627 108.800 -0.054 0.000 2.205 115 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.261 115 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.261 115 G C 0.565 175.432 174.900 -0.056 0.000 0.980 115 G CA 0.348 45.428 45.100 -0.034 0.000 0.632 115 G HN 1.289 nan 8.290 nan 0.000 0.533 116 G N -0.564 108.181 108.800 -0.092 0.000 2.562 116 G HA2 0.509 4.469 3.960 -0.000 0.000 0.275 116 G HA3 0.509 4.469 3.960 -0.000 0.000 0.275 116 G C -0.277 174.550 174.900 -0.121 0.000 1.196 116 G CA -0.315 44.729 45.100 -0.093 0.000 0.908 116 G HN 0.317 nan 8.290 nan 0.000 0.524 117 N N -1.177 117.468 118.700 -0.092 0.000 2.314 117 N HA 0.509 5.249 4.740 -0.000 0.000 0.304 117 N C -1.209 174.245 175.510 -0.092 0.000 1.073 117 N CA -0.349 52.650 53.050 -0.086 0.000 0.822 117 N CB 2.581 41.042 38.487 -0.043 0.000 1.280 117 N HN 0.333 nan 8.380 nan 0.000 0.489 118 V N 2.220 122.072 119.914 -0.102 0.000 2.962 118 V HA 0.522 4.642 4.120 -0.000 0.000 0.313 118 V C -1.098 174.951 176.094 -0.075 0.000 1.099 118 V CA -0.764 61.479 62.300 -0.096 0.000 0.971 118 V CB 2.206 33.953 31.823 -0.126 0.000 1.028 118 V HN 0.445 nan 8.190 nan 0.000 0.430 119 I N 5.943 126.477 120.570 -0.061 0.000 2.336 119 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 119 I C -0.284 175.806 176.117 -0.046 0.000 0.991 119 I CA -0.240 61.035 61.300 -0.041 0.000 1.227 119 I CB 1.364 39.341 38.000 -0.038 0.000 1.366 119 I HN 0.471 nan 8.210 nan 0.000 0.466 120 L N 6.063 127.275 121.223 -0.019 0.000 2.317 120 L HA 0.464 4.803 4.340 -0.000 0.000 0.281 120 L C -0.085 176.816 176.870 0.052 0.000 1.024 120 L CA -0.515 54.309 54.840 -0.026 0.000 0.810 120 L CB 1.861 43.859 42.059 -0.101 0.000 1.240 120 L HN 0.564 nan 8.230 nan 0.000 0.427 121 Q N 2.198 122.005 119.800 0.011 0.000 2.333 121 Q HA 0.329 4.669 4.340 -0.000 0.000 0.267 121 Q C -1.554 174.445 176.000 -0.002 0.000 1.012 121 Q CA -0.532 55.272 55.803 0.002 0.000 0.824 121 Q CB 2.485 31.197 28.738 -0.042 0.000 1.290 121 Q HN 0.707 nan 8.270 nan 0.000 0.449 122 c N 4.103 122.695 118.600 -0.012 0.000 2.251 122 c HA 0.499 5.069 4.570 -0.000 0.000 0.323 122 c C -0.763 173.259 174.090 -0.114 0.000 1.241 122 c CA -0.320 56.002 56.329 -0.012 0.000 1.601 122 c CB 0.008 42.581 42.510 0.105 0.000 2.251 122 c HN 0.922 nan 8.230 nan 0.000 0.488 123 D N 3.011 123.407 120.400 -0.007 0.000 2.248 123 D HA 0.567 5.207 4.640 -0.000 0.000 0.246 123 D C -0.800 175.589 176.300 0.148 0.000 1.027 123 D CA 0.129 54.141 54.000 0.021 0.000 0.853 123 D CB 1.791 42.590 40.800 -0.002 0.000 1.243 123 D HN 0.545 nan 8.370 nan 0.000 0.462 124 S N 1.806 117.639 115.700 0.222 0.000 2.532 124 S HA 0.190 4.660 4.470 -0.000 0.000 0.299 124 S C 0.449 175.151 174.600 0.169 0.000 1.105 124 S CA -0.532 57.828 58.200 0.266 0.000 1.018 124 S CB 1.446 64.930 63.200 0.473 0.000 1.021 124 S HN 0.503 nan 8.310 nan 0.000 0.483 125 Q N 1.707 121.587 119.800 0.133 0.000 2.500 125 Q HA 0.038 4.378 4.340 -0.000 0.000 0.213 125 Q C 0.581 176.604 176.000 0.039 0.000 0.974 125 Q CA 0.622 56.470 55.803 0.075 0.000 0.918 125 Q CB -0.183 28.596 28.738 0.067 0.000 0.980 125 Q HN 0.582 nan 8.270 nan 0.000 0.505 126 V N -4.132 115.803 119.914 0.035 0.000 2.841 126 V HA 0.791 4.911 4.120 -0.000 0.000 0.310 126 V C -0.580 175.356 176.094 -0.263 0.000 1.090 126 V CA -1.404 60.818 62.300 -0.130 0.000 0.930 126 V CB 1.489 33.185 31.823 -0.211 0.000 1.014 126 V HN -0.003 nan 8.190 nan 0.000 0.425 127 A N 3.945 126.592 122.820 -0.288 0.000 2.567 127 A HA 0.606 4.926 4.320 -0.000 0.000 0.240 127 A C -0.677 176.571 177.584 -0.559 0.000 1.053 127 A CA 0.744 52.624 52.037 -0.261 0.000 0.755 127 A CB -0.667 18.220 19.000 -0.188 0.000 0.978 127 A HN 1.031 nan 8.150 nan 0.000 0.507 128 F N 0.328 120.196 119.950 -0.138 0.000 2.608 128 F HA 0.304 4.831 4.527 -0.001 0.000 0.309 128 F C 0.259 175.891 175.800 -0.279 0.000 1.103 128 F CA -0.591 57.198 58.000 -0.352 0.000 0.954 128 F CB 2.440 41.020 39.000 -0.700 0.000 1.267 128 F HN 0.692 nan 8.300 nan 0.000 0.444 129 D N -0.174 120.175 120.400 -0.084 0.000 2.340 129 D HA 0.316 4.956 4.640 -0.000 0.000 0.217 129 D C 0.383 176.573 176.300 -0.183 0.000 1.081 129 D CA 0.024 53.989 54.000 -0.059 0.000 0.842 129 D CB 0.625 41.412 40.800 -0.021 0.000 0.934 129 D HN 0.580 nan 8.370 nan 0.000 0.511 130 G N -0.878 107.558 108.800 -0.606 0.000 2.667 130 G HA2 0.568 4.527 3.960 -0.000 0.000 0.298 130 G HA3 0.568 4.527 3.960 -0.000 0.000 0.298 130 G C -1.606 172.459 174.900 -1.392 0.000 1.377 130 G CA -0.834 43.633 45.100 -1.055 0.000 0.964 130 G HN 0.035 nan 8.290 nan 0.000 0.493 131 F N -0.110 119.469 119.950 -0.619 0.000 2.613 131 F HA 0.809 5.336 4.527 -0.000 0.000 0.314 131 F C 0.294 176.085 175.800 -0.016 0.000 1.075 131 F CA -0.831 57.000 58.000 -0.282 0.000 0.945 131 F CB 2.916 41.915 39.000 -0.002 0.000 1.310 131 F HN 0.501 nan 8.300 nan 0.000 0.467 132 S N 1.596 117.345 115.700 0.083 0.000 2.548 132 S HA 0.745 5.215 4.470 -0.000 0.000 0.276 132 S C -2.152 172.321 174.600 -0.212 0.000 1.129 132 S CA -0.448 57.703 58.200 -0.083 0.000 0.931 132 S CB 1.345 64.123 63.200 -0.703 0.000 1.068 132 S HN 0.582 nan 8.310 nan 0.000 0.480 133 L N 4.841 125.814 121.223 -0.418 0.000 2.333 133 L HA 0.798 5.138 4.340 -0.000 0.000 0.280 133 L C -1.425 175.414 176.870 -0.051 0.000 1.004 133 L CA -0.127 54.425 54.840 -0.480 0.000 0.820 133 L CB 1.037 42.361 42.059 -1.226 0.000 1.247 133 L HN 0.780 nan 8.230 nan 0.000 0.416 134 c N 4.136 122.807 118.600 0.118 0.000 2.396 134 c HA 0.430 5.000 4.570 -0.000 0.000 0.321 134 c C -0.071 174.070 174.090 0.086 0.000 1.233 134 c CA -1.109 55.327 56.329 0.179 0.000 1.440 134 c CB 1.248 43.952 42.510 0.323 0.000 2.110 134 c HN 0.823 nan 8.230 nan 0.000 0.473 135 K N 3.229 123.595 120.400 -0.056 0.000 2.219 135 K HA 0.161 4.481 4.320 -0.000 0.000 0.280 135 K C 0.574 177.066 176.600 -0.180 0.000 1.104 135 K CA 0.024 56.090 56.287 -0.367 0.000 0.925 135 K CB 0.327 32.572 32.500 -0.425 0.000 1.261 135 K HN 0.664 nan 8.250 nan 0.000 0.445 144 c N 0.698 119.397 118.600 0.165 0.000 2.898 144 c HA 0.854 5.424 4.570 -0.000 0.000 0.304 144 c C -0.765 173.448 174.090 0.206 0.000 1.237 144 c CA -0.828 55.620 56.329 0.200 0.000 1.529 144 c CB 0.947 43.642 42.510 0.309 0.000 2.021 144 c HN 0.749 nan 8.230 nan 0.000 0.474 145 L N 0.648 121.995 121.223 0.206 0.000 2.365 145 L HA 0.770 5.110 4.340 -0.000 0.000 0.273 145 L C -0.939 176.150 176.870 0.364 0.000 1.000 145 L CA -0.460 54.543 54.840 0.273 0.000 0.819 145 L CB 1.025 43.268 42.059 0.307 0.000 1.284 145 L HN 0.548 nan 8.230 nan 0.000 0.418 146 N N 1.154 120.066 118.700 0.352 0.000 2.492 146 N HA 0.716 5.456 4.740 -0.000 0.000 0.289 146 N C -0.595 175.127 175.510 0.353 0.000 1.133 146 N CA -0.568 52.715 53.050 0.387 0.000 0.961 146 N CB 1.984 40.677 38.487 0.343 0.000 1.186 146 N HN 0.782 nan 8.380 nan 0.000 0.493 147 S N -0.304 115.579 115.700 0.304 0.000 2.900 147 S HA 0.614 5.084 4.470 -0.000 0.000 0.320 147 S C -1.531 173.093 174.600 0.041 0.000 1.130 147 S CA -0.541 57.658 58.200 -0.001 0.000 0.863 147 S CB 0.676 63.521 63.200 -0.592 0.000 1.295 147 S HN 0.574 nan 8.310 nan 0.000 0.596 148 Q N 0.023 119.795 119.800 -0.046 0.000 2.633 148 Q HA 0.629 4.969 4.340 -0.000 0.000 0.292 148 Q C -2.747 173.236 176.000 -0.028 0.000 1.089 148 Q CA -1.918 53.894 55.803 0.016 0.000 0.811 148 Q CB 0.231 28.963 28.738 -0.010 0.000 1.472 148 Q HN 0.325 nan 8.270 nan 0.000 0.464 153 G N 0.861 109.647 108.800 -0.024 0.000 2.421 153 G HA2 0.003 3.963 3.960 -0.000 0.000 0.217 153 G HA3 0.003 3.963 3.960 -0.000 0.000 0.217 153 G C 0.237 175.131 174.900 -0.010 0.000 1.143 153 G CA 1.108 46.199 45.100 -0.016 0.000 0.784 153 G HN 0.612 nan 8.290 nan 0.000 0.541 154 S N -2.727 112.968 115.700 -0.008 0.000 2.614 154 S HA 0.378 4.847 4.470 -0.000 0.000 0.280 154 S C 0.527 175.139 174.600 0.020 0.000 1.111 154 S CA 0.716 58.922 58.200 0.009 0.000 0.847 154 S CB 0.910 64.106 63.200 -0.006 0.000 1.079 154 S HN 1.638 nan 8.310 nan 0.000 0.452 155 S N -0.642 115.107 115.700 0.083 0.000 2.967 155 S HA -0.351 4.119 4.470 -0.000 0.000 0.297 155 S C 0.236 174.886 174.600 0.083 0.000 1.312 155 S CA 1.806 60.097 58.200 0.152 0.000 1.163 155 S CB -1.807 61.441 63.200 0.079 0.000 1.377 155 S HN 1.861 nan 8.310 nan 0.000 0.724 156 R N -0.148 120.245 120.500 -0.178 0.000 2.739 156 R HA 0.833 5.173 4.340 -0.000 0.000 0.271 156 R C -0.966 174.853 176.300 -0.801 0.000 1.010 156 R CA -0.603 55.191 56.100 -0.511 0.000 0.897 156 R CB 1.205 31.356 30.300 -0.249 0.000 1.236 156 R HN 0.862 nan 8.270 nan 0.000 0.466 157 A N 2.781 125.044 122.820 -0.929 0.000 2.386 157 A HA 0.706 5.026 4.320 -0.000 0.000 0.311 157 A C -0.880 176.477 177.584 -0.379 0.000 1.068 157 A CA -1.020 50.604 52.037 -0.688 0.000 0.743 157 A CB 1.266 19.838 19.000 -0.714 0.000 1.258 157 A HN 0.651 nan 8.150 nan 0.000 0.429 158 I N 1.647 121.950 120.570 -0.446 0.000 2.389 158 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 158 I C -1.345 174.495 176.117 -0.462 0.000 0.999 158 I CA -0.147 60.978 61.300 -0.293 0.000 1.129 158 I CB 1.329 39.204 38.000 -0.210 0.000 1.288 158 I HN 0.516 nan 8.210 nan 0.000 0.444 159 F N 3.486 123.390 119.950 -0.077 0.000 2.532 159 F HA 0.507 5.034 4.527 -0.001 0.000 0.321 159 F C 0.393 176.162 175.800 -0.052 0.000 1.089 159 F CA -0.807 57.168 58.000 -0.042 0.000 0.926 159 F CB 2.166 41.152 39.000 -0.023 0.000 1.168 159 F HN 0.300 nan 8.300 nan 0.000 0.459 160 S N 2.866 118.647 115.700 0.135 0.000 2.530 160 S HA 0.571 5.041 4.470 -0.000 0.000 0.322 160 S C -1.111 173.544 174.600 0.093 0.000 1.085 160 S CA -0.681 57.558 58.200 0.064 0.000 1.096 160 S CB 0.899 64.116 63.200 0.027 0.000 0.988 160 S HN 0.754 nan 8.310 nan 0.000 0.466 161 V N 4.438 124.385 119.914 0.054 0.000 2.348 161 V HA 0.809 4.929 4.120 -0.000 0.000 0.270 161 V C 0.912 177.055 176.094 0.080 0.000 1.037 161 V CA 0.055 62.420 62.300 0.109 0.000 0.872 161 V CB 0.136 32.016 31.823 0.095 0.000 1.002 161 V HN 1.013 nan 8.190 nan 0.000 0.464 162 G N 6.116 114.995 108.800 0.132 0.000 2.855 162 G HA2 0.215 4.175 3.960 -0.000 0.000 0.248 162 G HA3 0.215 4.175 3.960 -0.000 0.000 0.248 162 G C -2.279 172.665 174.900 0.072 0.000 1.243 162 G CA -0.877 44.284 45.100 0.102 0.000 0.881 162 G HN 0.837 nan 8.290 nan 0.000 0.598 163 P HA -0.067 nan 4.420 nan 0.000 0.238 163 P C 0.077 177.368 177.300 -0.015 0.000 1.066 163 P CA 0.217 63.327 63.100 0.016 0.000 0.836 163 P CB -0.112 31.624 31.700 0.059 0.000 0.743 164 V N 4.098 123.850 119.914 -0.269 0.000 2.508 164 V HA 0.278 4.398 4.120 -0.000 0.000 0.281 164 V C 0.770 176.706 176.094 -0.264 0.000 1.041 164 V CA 0.395 62.244 62.300 -0.751 0.000 1.016 164 V CB 0.880 32.160 31.823 -0.905 0.000 0.984 164 V HN 0.628 nan 8.190 nan 0.000 0.478 165 S N 4.152 119.949 115.700 0.161 0.000 2.536 165 S HA 0.590 5.060 4.470 -0.000 0.000 0.287 165 S C -2.242 172.602 174.600 0.407 0.000 1.101 165 S CA -1.461 56.893 58.200 0.257 0.000 0.950 165 S CB 2.325 65.678 63.200 0.255 0.000 1.056 165 S HN 0.364 nan 8.310 nan 0.000 0.481 166 P HA -0.129 nan 4.420 nan 0.000 0.213 166 P C 0.951 178.351 177.300 0.168 0.000 1.170 166 P CA 1.768 64.981 63.100 0.189 0.000 0.902 166 P CB -0.303 31.454 31.700 0.095 0.000 0.789 170 W N 5.318 126.483 121.300 -0.225 0.000 2.517 170 W HA 0.459 5.119 4.660 0.000 0.000 0.301 170 W C -1.141 175.507 176.519 0.216 0.000 1.002 170 W CA -0.410 56.925 57.345 -0.016 0.000 1.415 170 W CB 0.996 30.598 29.460 0.237 0.000 1.275 170 W HN 0.253 nan 8.180 nan 0.000 0.413 171 W N 3.040 124.335 121.300 -0.008 0.000 2.632 171 W HA 0.549 5.209 4.660 -0.001 0.000 0.328 171 W C -0.923 175.502 176.519 -0.156 0.000 1.044 171 W CA -2.048 55.321 57.345 0.039 0.000 1.225 171 W CB 0.833 30.287 29.460 -0.009 0.000 1.396 171 W HN 0.133 nan 8.180 nan 0.000 0.499 172 Y N 1.315 121.771 120.300 0.260 0.000 2.524 172 Y HA 0.654 5.203 4.550 -0.000 0.000 0.347 172 Y C 0.184 176.110 175.900 0.044 0.000 1.005 172 Y CA -1.491 56.688 58.100 0.132 0.000 1.025 172 Y CB 2.149 40.663 38.460 0.091 0.000 1.275 172 Y HN 0.203 nan 8.280 nan 0.000 0.460 173 R N 1.036 121.628 120.500 0.154 0.000 2.673 173 R HA 0.793 5.133 4.340 -0.000 0.000 0.281 173 R C -1.385 174.851 176.300 -0.106 0.000 0.991 173 R CA -0.765 55.320 56.100 -0.025 0.000 0.896 173 R CB 2.014 32.259 30.300 -0.091 0.000 1.201 173 R HN 0.902 nan 8.270 nan 0.000 0.457 174 c N 0.266 118.728 118.600 -0.230 0.000 2.719 174 c HA 0.825 5.395 4.570 -0.000 0.000 0.327 174 c C -1.021 172.850 174.090 -0.365 0.000 1.238 174 c CA -0.843 55.368 56.329 -0.196 0.000 1.727 174 c CB 0.636 43.088 42.510 -0.098 0.000 2.256 174 c HN 0.789 nan 8.230 nan 0.000 0.489 175 Y N 0.136 120.365 120.300 -0.118 0.000 2.609 175 Y HA 0.763 5.314 4.550 0.000 0.000 0.342 175 Y C 0.365 176.065 175.900 -0.333 0.000 1.058 175 Y CA -0.319 57.671 58.100 -0.182 0.000 1.055 175 Y CB 1.952 40.258 38.460 -0.255 0.000 1.292 175 Y HN 1.125 nan 8.280 nan 0.000 0.476 176 A N 1.152 123.764 122.820 -0.346 0.000 2.401 176 A HA 0.888 5.207 4.320 -0.000 0.000 0.310 176 A C -1.884 175.079 177.584 -1.036 0.000 1.075 176 A CA -0.633 50.796 52.037 -1.013 0.000 0.746 176 A CB 1.108 19.362 19.000 -1.244 0.000 1.277 176 A HN 0.798 nan 8.150 nan 0.000 0.425 177 Y N -0.574 119.098 120.300 -1.047 0.000 2.705 177 Y HA 0.735 5.285 4.550 -0.000 0.000 0.332 177 Y C -1.390 174.332 175.900 -0.296 0.000 1.221 177 Y CA -1.559 56.173 58.100 -0.613 0.000 1.059 177 Y CB 0.939 39.284 38.460 -0.192 0.000 1.298 177 Y HN 0.510 nan 8.280 nan 0.000 0.459 178 D N 0.584 121.139 120.400 0.258 0.000 2.217 178 D HA 0.227 4.866 4.640 -0.000 0.000 0.243 178 D C 0.705 177.229 176.300 0.372 0.000 1.054 178 D CA 0.197 54.342 54.000 0.242 0.000 0.838 178 D CB 2.157 43.081 40.800 0.207 0.000 1.162 178 D HN 0.752 nan 8.370 nan 0.000 0.472 179 S N 3.106 118.969 115.700 0.272 0.000 2.469 179 S HA -0.126 4.343 4.470 -0.000 0.000 0.238 179 S C 1.167 175.862 174.600 0.157 0.000 0.998 179 S CA 0.444 58.797 58.200 0.254 0.000 0.957 179 S CB -0.017 63.285 63.200 0.171 0.000 0.764 179 S HN 0.476 nan 8.310 nan 0.000 0.514 180 N N 1.047 119.834 118.700 0.145 0.000 2.370 180 N HA 0.167 4.907 4.740 -0.000 0.000 0.198 180 N C -0.141 175.451 175.510 0.137 0.000 1.156 180 N CA 0.256 53.378 53.050 0.119 0.000 0.839 180 N CB 0.568 39.115 38.487 0.099 0.000 0.989 180 N HN 0.377 nan 8.380 nan 0.000 0.468 181 S N -0.002 115.793 115.700 0.159 0.000 2.539 181 S HA 0.127 4.597 4.470 -0.000 0.000 0.176 181 S C -2.153 172.526 174.600 0.132 0.000 0.829 181 S CA -0.579 57.727 58.200 0.177 0.000 0.990 181 S CB 0.386 63.708 63.200 0.205 0.000 1.717 181 S HN 0.029 nan 8.310 nan 0.000 0.519 182 P HA -0.122 nan 4.420 nan 0.000 0.224 182 P C 0.426 177.327 177.300 -0.666 0.000 1.142 182 P CA 1.148 63.957 63.100 -0.485 0.000 0.778 182 P CB -0.259 31.102 31.700 -0.566 0.000 0.764 183 Y N -0.533 119.732 120.300 -0.059 0.000 2.467 183 Y HA 0.280 4.830 4.550 -0.000 0.000 0.250 183 Y C 0.903 176.704 175.900 -0.165 0.000 1.155 183 Y CA -0.361 57.631 58.100 -0.180 0.000 1.249 183 Y CB 0.108 38.493 38.460 -0.125 0.000 1.146 183 Y HN -0.055 nan 8.280 nan 0.000 0.524 184 E N 0.684 121.000 120.200 0.193 0.000 2.055 184 E HA 0.107 4.457 4.350 -0.000 0.000 0.274 184 E C -1.061 175.840 176.600 0.501 0.000 0.949 184 E CA -0.565 56.004 56.400 0.280 0.000 0.775 184 E CB 0.607 30.443 29.700 0.228 0.000 1.097 184 E HN 0.133 nan 8.360 nan 0.000 0.404 185 W N 1.424 122.818 121.300 0.158 0.000 2.390 185 W HA 0.225 4.885 4.660 -0.000 0.000 0.362 185 W C 1.139 177.828 176.519 0.283 0.000 1.206 185 W CA -1.278 56.173 57.345 0.176 0.000 1.355 185 W CB 0.643 30.054 29.460 -0.082 0.000 1.278 185 W HN 0.365 nan 8.180 nan 0.000 0.653 186 S N 0.481 116.527 115.700 0.578 0.000 2.596 186 S HA 0.532 5.002 4.470 -0.000 0.000 0.262 186 S C 0.060 174.931 174.600 0.451 0.000 1.218 186 S CA -0.662 57.815 58.200 0.462 0.000 0.998 186 S CB 0.009 63.338 63.200 0.215 0.000 1.060 186 S HN 0.332 nan 8.310 nan 0.000 0.552 187 L N 2.325 123.730 121.223 0.304 0.000 2.439 187 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 187 L C -1.885 175.090 176.870 0.175 0.000 1.179 187 L CA -2.063 52.930 54.840 0.255 0.000 0.828 187 L CB 0.509 42.663 42.059 0.159 0.000 1.106 187 L HN 0.556 nan 8.230 nan 0.000 0.467 188 P HA 0.086 nan 4.420 nan 0.000 0.274 188 P C -0.748 176.414 177.300 -0.229 0.000 1.231 188 P CA -0.496 62.365 63.100 -0.397 0.000 0.790 188 P CB 1.192 32.717 31.700 -0.291 0.000 0.951 189 S N 1.357 116.881 115.700 -0.295 0.000 2.624 189 S HA 0.167 4.637 4.470 -0.000 0.000 0.263 189 S C 0.172 174.706 174.600 -0.110 0.000 1.287 189 S CA -0.592 57.526 58.200 -0.137 0.000 0.990 189 S CB -0.031 63.101 63.200 -0.114 0.000 0.950 189 S HN 0.363 nan 8.310 nan 0.000 0.561 190 D N 0.480 120.842 120.400 -0.064 0.000 2.400 190 D HA 0.143 4.783 4.640 -0.000 0.000 0.238 190 D C 0.197 176.461 176.300 -0.060 0.000 1.157 190 D CA -0.232 53.734 54.000 -0.057 0.000 0.889 190 D CB 0.169 40.943 40.800 -0.044 0.000 1.199 190 D HN 0.461 nan 8.370 nan 0.000 0.436 191 L N 1.667 122.845 121.223 -0.075 0.000 2.485 191 L HA 0.122 4.462 4.340 -0.000 0.000 0.275 191 L C -0.680 176.163 176.870 -0.045 0.000 1.207 191 L CA 0.027 54.823 54.840 -0.074 0.000 0.855 191 L CB 0.327 42.278 42.059 -0.180 0.000 1.114 191 L HN 0.263 nan 8.230 nan 0.000 0.485 192 L N 5.110 126.363 121.223 0.049 0.000 2.353 192 L HA 0.418 4.758 4.340 -0.000 0.000 0.270 192 L C -0.371 176.630 176.870 0.219 0.000 1.003 192 L CA -0.084 54.812 54.840 0.094 0.000 0.862 192 L CB 0.986 43.102 42.059 0.096 0.000 1.221 192 L HN 0.763 nan 8.230 nan 0.000 0.430 193 E N 4.745 125.038 120.200 0.156 0.000 2.223 193 E HA 0.276 4.626 4.350 -0.000 0.000 0.282 193 E C -1.011 175.779 176.600 0.317 0.000 1.046 193 E CA -0.435 56.180 56.400 0.359 0.000 0.857 193 E CB 0.725 30.566 29.700 0.235 0.000 1.055 193 E HN 0.652 nan 8.360 nan 0.000 0.409 194 L N 4.952 126.420 121.223 0.409 0.000 2.350 194 L HA 0.266 4.606 4.340 -0.000 0.000 0.275 194 L C -0.535 176.450 176.870 0.191 0.000 1.099 194 L CA -0.756 54.225 54.840 0.234 0.000 0.808 194 L CB 0.696 42.878 42.059 0.205 0.000 1.149 194 L HN 0.539 nan 8.230 nan 0.000 0.442 195 L N 3.737 125.011 121.223 0.084 0.000 2.316 195 L HA 0.386 4.726 4.340 -0.000 0.000 0.280 195 L C -0.206 176.665 176.870 0.002 0.000 1.006 195 L CA -0.220 54.661 54.840 0.069 0.000 0.836 195 L CB 1.707 43.805 42.059 0.065 0.000 1.221 195 L HN 0.186 nan 8.230 nan 0.000 0.418 196 V N 4.536 124.450 119.914 0.001 0.000 2.583 196 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 196 V C 0.159 176.248 176.094 -0.008 0.000 1.051 196 V CA -0.300 61.977 62.300 -0.038 0.000 1.010 196 V CB 1.400 33.207 31.823 -0.027 0.000 0.988 196 V HN 0.431 nan 8.190 nan 0.000 0.478 197 L N 0.000 121.209 121.223 -0.024 0.000 2.949 197 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 197 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 197 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 197 L HN 0.000 nan 8.230 nan 0.000 0.502