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 2hcv_1_D DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQSHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERP 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.834 175.800 0.056 0.000 0.967 4 F CA 0.000 58.018 58.000 0.030 0.000 1.383 4 F CB 0.000 39.014 39.000 0.023 0.000 1.145 5 R N 1.217 121.855 120.500 0.229 0.000 2.096 5 R HA 0.099 4.439 4.340 -0.001 0.000 0.235 5 R C 0.497 176.949 176.300 0.254 0.000 1.127 5 R CA 1.051 57.293 56.100 0.236 0.000 0.968 5 R CB 0.124 30.527 30.300 0.172 0.000 0.861 5 R HN 0.295 nan 8.270 nan 0.000 0.440 6 I N 1.245 121.927 120.570 0.188 0.000 2.339 6 I HA 0.244 4.414 4.170 -0.001 0.000 0.290 6 I C 0.189 176.359 176.117 0.089 0.000 0.994 6 I CA -1.715 59.665 61.300 0.133 0.000 1.191 6 I CB 0.924 38.966 38.000 0.071 0.000 1.343 6 I HN -0.075 nan 8.210 nan 0.000 0.458 7 A N 6.246 129.107 122.820 0.067 0.000 2.580 7 A HA -0.013 4.306 4.320 -0.001 0.000 0.244 7 A C 1.342 178.880 177.584 -0.076 0.000 1.045 7 A CA 0.210 52.255 52.037 0.013 0.000 0.761 7 A CB 0.018 19.027 19.000 0.015 0.000 0.962 7 A HN 0.829 nan 8.150 nan 0.000 0.512 8 Q N 1.214 120.901 119.800 -0.189 0.000 2.181 8 Q HA -0.222 4.118 4.340 -0.001 0.000 0.205 8 Q C 1.437 177.347 176.000 -0.149 0.000 0.980 8 Q CA 1.704 57.344 55.803 -0.272 0.000 0.862 8 Q CB -0.122 28.356 28.738 -0.432 0.000 0.905 8 Q HN 1.013 nan 8.270 nan 0.000 0.429 9 D N -0.081 120.260 120.400 -0.098 0.000 2.178 9 D HA -0.129 4.510 4.640 -0.001 0.000 0.201 9 D C 1.787 178.056 176.300 -0.050 0.000 0.980 9 D CA 1.046 55.008 54.000 -0.064 0.000 0.842 9 D CB -0.225 40.550 40.800 -0.041 0.000 0.948 9 D HN 0.125 nan 8.370 nan 0.000 0.472 10 V N 0.907 120.795 119.914 -0.044 0.000 2.453 10 V HA -0.170 3.949 4.120 -0.001 0.000 0.247 10 V C 2.909 178.983 176.094 -0.035 0.000 1.048 10 V CA 0.856 63.139 62.300 -0.030 0.000 1.049 10 V CB -0.089 31.725 31.823 -0.015 0.000 0.672 10 V HN 0.096 nan 8.190 nan 0.000 0.457 11 V N 0.491 120.374 119.914 -0.051 0.000 2.295 11 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 11 V C 2.726 178.788 176.094 -0.053 0.000 1.049 11 V CA 2.063 64.332 62.300 -0.051 0.000 1.024 11 V CB -1.102 30.675 31.823 -0.077 0.000 0.648 11 V HN 0.546 nan 8.190 nan 0.000 0.447 12 A N -0.151 122.630 122.820 -0.065 0.000 1.902 12 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 12 A C 2.420 179.979 177.584 -0.042 0.000 1.181 12 A CA 2.009 54.012 52.037 -0.057 0.000 0.623 12 A CB -0.575 18.387 19.000 -0.063 0.000 0.818 12 A HN 0.468 nan 8.150 nan 0.000 0.443 13 R N -0.472 120.006 120.500 -0.037 0.000 2.073 13 R HA -0.148 4.191 4.340 -0.001 0.000 0.234 13 R C 1.692 177.978 176.300 -0.024 0.000 1.134 13 R CA 1.673 57.756 56.100 -0.028 0.000 0.952 13 R CB -0.193 30.093 30.300 -0.025 0.000 0.850 13 R HN 0.413 nan 8.270 nan 0.000 0.433 14 E N 0.263 120.449 120.200 -0.023 0.000 2.347 14 E HA -0.096 4.254 4.350 -0.001 0.000 0.196 14 E C 1.446 178.034 176.600 -0.019 0.000 1.008 14 E CA 0.630 57.020 56.400 -0.017 0.000 0.852 14 E CB -0.161 29.532 29.700 -0.011 0.000 0.783 14 E HN 0.351 nan 8.360 nan 0.000 0.505 15 N N 1.104 119.788 118.700 -0.026 0.000 2.173 15 N HA -0.088 4.651 4.740 -0.001 0.000 0.184 15 N C 1.260 176.753 175.510 -0.028 0.000 1.025 15 N CA 0.813 53.846 53.050 -0.029 0.000 0.852 15 N CB -0.195 38.270 38.487 -0.036 0.000 0.998 15 N HN 0.106 nan 8.380 nan 0.000 0.427 16 D N 0.571 120.954 120.400 -0.028 0.000 2.182 16 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 16 D C 1.797 178.085 176.300 -0.021 0.000 0.986 16 D CA 0.617 54.602 54.000 -0.026 0.000 0.847 16 D CB -0.096 40.689 40.800 -0.025 0.000 0.942 16 D HN 0.283 nan 8.370 nan 0.000 0.467 17 R N 0.676 121.165 120.500 -0.019 0.000 2.193 17 R HA -0.046 4.293 4.340 -0.001 0.000 0.229 17 R C 1.263 177.555 176.300 -0.014 0.000 1.110 17 R CA 0.959 57.049 56.100 -0.015 0.000 0.988 17 R CB 0.202 30.494 30.300 -0.013 0.000 0.871 17 R HN 0.106 nan 8.270 nan 0.000 0.458 18 R N -1.525 118.965 120.500 -0.016 0.000 2.509 18 R HA 0.255 4.595 4.340 -0.001 0.000 0.297 18 R C 1.617 177.907 176.300 -0.017 0.000 0.951 18 R CA 0.363 56.454 56.100 -0.015 0.000 1.103 18 R CB 0.723 31.015 30.300 -0.014 0.000 1.283 18 R HN 0.074 nan 8.270 nan 0.000 0.534 19 A N 1.004 123.812 122.820 -0.022 0.000 1.883 19 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 19 A C 2.141 179.713 177.584 -0.020 0.000 1.186 19 A CA 2.180 54.201 52.037 -0.027 0.000 0.624 19 A CB -0.562 18.420 19.000 -0.030 0.000 0.822 19 A HN 0.261 nan 8.150 nan 0.000 0.444 20 S N -0.652 115.040 115.700 -0.015 0.000 2.356 20 S HA -0.054 4.415 4.470 -0.001 0.000 0.223 20 S C 2.216 176.813 174.600 -0.004 0.000 1.032 20 S CA 1.660 59.855 58.200 -0.009 0.000 1.005 20 S CB -0.520 62.675 63.200 -0.009 0.000 0.867 20 S HN 0.856 nan 8.310 nan 0.000 0.449 21 A N 1.278 124.096 122.820 -0.004 0.000 1.902 21 A HA -0.024 4.296 4.320 -0.001 0.000 0.217 21 A C 2.148 179.737 177.584 0.009 0.000 1.181 21 A CA 1.687 53.724 52.037 -0.000 0.000 0.623 21 A CB -0.901 18.096 19.000 -0.004 0.000 0.818 21 A HN 0.565 nan 8.150 nan 0.000 0.443 22 L N 0.115 121.341 121.223 0.006 0.000 2.046 22 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 22 L C 2.293 179.190 176.870 0.045 0.000 1.077 22 L CA 2.690 57.541 54.840 0.018 0.000 0.747 22 L CB -0.604 41.449 42.059 -0.010 0.000 0.896 22 L HN 0.485 nan 8.230 nan 0.000 0.432 23 K N -0.856 119.556 120.400 0.020 0.000 2.032 23 K HA -0.203 4.116 4.320 -0.001 0.000 0.209 23 K C 1.946 178.587 176.600 0.069 0.000 1.048 23 K CA 1.602 57.911 56.287 0.038 0.000 0.927 23 K CB -0.085 32.420 32.500 0.008 0.000 0.712 23 K HN 0.350 nan 8.250 nan 0.000 0.441 24 E N 1.195 121.419 120.200 0.040 0.000 2.051 24 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 24 E C 1.847 178.468 176.600 0.035 0.000 0.991 24 E CA 1.280 57.698 56.400 0.029 0.000 0.799 24 E CB -0.311 29.396 29.700 0.012 0.000 0.748 24 E HN 0.434 nan 8.360 nan 0.000 0.449 25 D N -0.171 120.253 120.400 0.040 0.000 2.117 25 D HA -0.151 4.488 4.640 -0.001 0.000 0.198 25 D C 1.942 178.272 176.300 0.050 0.000 0.982 25 D CA 0.780 54.798 54.000 0.030 0.000 0.828 25 D CB -0.425 40.391 40.800 0.026 0.000 0.967 25 D HN 0.204 nan 8.370 nan 0.000 0.464 26 Y N 1.930 122.212 120.300 -0.031 0.000 2.181 26 Y HA -0.154 4.396 4.550 -0.001 0.000 0.288 26 Y C 2.172 178.054 175.900 -0.029 0.000 1.146 26 Y CA 1.565 59.646 58.100 -0.032 0.000 1.164 26 Y CB 0.099 38.543 38.460 -0.028 0.000 0.982 26 Y HN -0.033 nan 8.280 nan 0.000 0.515 27 E N -0.291 119.979 120.200 0.117 0.000 2.072 27 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 27 E C 2.364 178.939 176.600 -0.042 0.000 0.985 27 E CA 0.864 57.286 56.400 0.037 0.000 0.801 27 E CB -0.305 29.430 29.700 0.059 0.000 0.750 27 E HN 0.557 nan 8.360 nan 0.000 0.452 28 A N 1.503 124.301 122.820 -0.037 0.000 1.877 28 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 28 A C 2.197 179.726 177.584 -0.091 0.000 1.186 28 A CA 1.129 53.135 52.037 -0.053 0.000 0.620 28 A CB -0.600 18.376 19.000 -0.040 0.000 0.822 28 A HN 0.222 nan 8.150 nan 0.000 0.443 29 L N 0.228 121.374 121.223 -0.128 0.000 2.083 29 L HA -0.025 4.314 4.340 -0.001 0.000 0.209 29 L C 2.376 179.119 176.870 -0.213 0.000 1.083 29 L CA 2.273 57.010 54.840 -0.172 0.000 0.752 29 L CB -1.101 40.832 42.059 -0.210 0.000 0.899 29 L HN 0.312 nan 8.230 nan 0.000 0.433 30 G N -1.023 107.611 108.800 -0.276 0.000 2.446 30 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.217 30 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.217 30 G C 1.601 176.419 174.900 -0.137 0.000 1.168 30 G CA 0.893 45.841 45.100 -0.252 0.000 0.771 30 G HN 0.636 nan 8.290 nan 0.000 0.551 31 A N 1.070 123.830 122.820 -0.100 0.000 1.902 31 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 31 A C 2.231 179.775 177.584 -0.067 0.000 1.181 31 A CA 1.918 53.915 52.037 -0.066 0.000 0.623 31 A CB -0.637 18.334 19.000 -0.049 0.000 0.818 31 A HN 0.451 nan 8.150 nan 0.000 0.443 32 N N 0.425 119.078 118.700 -0.078 0.000 2.069 32 N HA -0.137 4.603 4.740 -0.001 0.000 0.191 32 N C 1.757 177.224 175.510 -0.072 0.000 1.031 32 N CA 1.752 54.759 53.050 -0.071 0.000 0.852 32 N CB -0.287 38.153 38.487 -0.079 0.000 1.018 32 N HN 0.504 nan 8.380 nan 0.000 0.423 33 L N 0.697 121.864 121.223 -0.092 0.000 2.141 33 L HA -0.081 4.258 4.340 -0.001 0.000 0.209 33 L C 2.695 179.526 176.870 -0.066 0.000 1.094 33 L CA 1.040 55.829 54.840 -0.085 0.000 0.763 33 L CB -0.480 41.511 42.059 -0.113 0.000 0.908 33 L HN 0.190 nan 8.230 nan 0.000 0.437 34 A N 0.136 122.917 122.820 -0.065 0.000 1.933 34 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 34 A C 2.367 179.929 177.584 -0.037 0.000 1.175 34 A CA 1.291 53.300 52.037 -0.047 0.000 0.628 34 A CB -0.418 18.556 19.000 -0.044 0.000 0.814 34 A HN 0.316 nan 8.150 nan 0.000 0.444 35 R N -0.840 119.637 120.500 -0.038 0.000 2.148 35 R HA -0.018 4.321 4.340 -0.001 0.000 0.227 35 R C 1.608 177.892 176.300 -0.026 0.000 1.103 35 R CA 1.180 57.263 56.100 -0.030 0.000 0.983 35 R CB -0.140 30.141 30.300 -0.031 0.000 0.874 35 R HN 0.432 nan 8.270 nan 0.000 0.451 36 R N -0.465 120.016 120.500 -0.031 0.000 2.334 36 R HA 0.110 4.449 4.340 -0.001 0.000 0.220 36 R C 0.653 176.940 176.300 -0.022 0.000 0.917 36 R CA 0.464 56.549 56.100 -0.024 0.000 1.073 36 R CB 0.757 31.039 30.300 -0.029 0.000 1.056 36 R HN 0.292 nan 8.270 nan 0.000 0.506 37 G N 0.673 109.458 108.800 -0.024 0.000 2.176 37 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.252 37 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.252 37 G C -0.154 174.731 174.900 -0.025 0.000 1.024 37 G CA 0.076 45.164 45.100 -0.021 0.000 0.755 37 G HN 0.156 nan 8.290 nan 0.000 0.507 38 V N 0.197 120.091 119.914 -0.034 0.000 2.540 38 V HA 0.549 4.669 4.120 -0.001 0.000 0.302 38 V C -0.356 175.710 176.094 -0.047 0.000 1.035 38 V CA -0.832 61.444 62.300 -0.040 0.000 0.873 38 V CB 2.035 33.828 31.823 -0.049 0.000 0.992 38 V HN 0.325 nan 8.190 nan 0.000 0.428 39 D N 3.349 123.725 120.400 -0.039 0.000 2.380 39 D HA 0.211 4.851 4.640 -0.001 0.000 0.230 39 D C 0.961 177.233 176.300 -0.047 0.000 1.154 39 D CA -0.160 53.819 54.000 -0.036 0.000 0.859 39 D CB 1.203 41.994 40.800 -0.016 0.000 1.045 39 D HN 0.539 nan 8.370 nan 0.000 0.495 40 I N 3.077 123.599 120.570 -0.080 0.000 2.335 40 I HA -0.261 3.908 4.170 -0.001 0.000 0.251 40 I C 1.745 177.849 176.117 -0.022 0.000 1.129 40 I CA 1.274 62.504 61.300 -0.117 0.000 1.402 40 I CB 0.273 38.102 38.000 -0.285 0.000 1.069 40 I HN 0.411 nan 8.210 nan 0.000 0.424 41 E N 1.433 121.650 120.200 0.028 0.000 2.110 41 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 41 E C 1.993 178.620 176.600 0.047 0.000 0.988 41 E CA 1.753 58.200 56.400 0.079 0.000 0.804 41 E CB -0.313 29.429 29.700 0.069 0.000 0.745 41 E HN 0.541 nan 8.360 nan 0.000 0.458 42 A N -0.036 122.795 122.820 0.018 0.000 1.972 42 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 42 A C 2.417 180.000 177.584 -0.001 0.000 1.169 42 A CA 1.555 53.598 52.037 0.011 0.000 0.635 42 A CB -0.478 18.523 19.000 0.000 0.000 0.810 42 A HN 0.203 nan 8.150 nan 0.000 0.446 43 V N -0.768 119.133 119.914 -0.021 0.000 2.346 43 V HA -0.162 3.957 4.120 -0.001 0.000 0.244 43 V C 2.668 178.751 176.094 -0.019 0.000 1.037 43 V CA 2.273 64.540 62.300 -0.054 0.000 1.029 43 V CB -1.305 30.465 31.823 -0.088 0.000 0.663 43 V HN 0.548 nan 8.190 nan 0.000 0.454 44 T N 0.817 115.390 114.554 0.032 0.000 2.720 44 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 44 T C 2.089 176.821 174.700 0.054 0.000 1.037 44 T CA 1.707 63.851 62.100 0.072 0.000 1.144 44 T CB -0.460 68.502 68.868 0.157 0.000 0.864 44 T HN 0.556 nan 8.240 nan 0.000 0.444 45 A N 1.796 124.646 122.820 0.050 0.000 1.883 45 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 45 A C 2.279 179.895 177.584 0.053 0.000 1.186 45 A CA 1.689 53.754 52.037 0.047 0.000 0.624 45 A CB -0.430 18.596 19.000 0.044 0.000 0.822 45 A HN 0.471 nan 8.150 nan 0.000 0.444 46 K N -0.595 119.843 120.400 0.063 0.000 2.103 46 K HA -0.002 4.317 4.320 -0.001 0.000 0.204 46 K C 1.877 178.594 176.600 0.194 0.000 1.052 46 K CA 1.154 57.516 56.287 0.125 0.000 0.945 46 K CB -0.292 32.284 32.500 0.127 0.000 0.722 46 K HN 0.299 nan 8.250 nan 0.000 0.443 47 V N 2.784 122.777 119.914 0.132 0.000 2.295 47 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 47 V C 2.129 178.269 176.094 0.077 0.000 1.049 47 V CA 2.146 64.535 62.300 0.148 0.000 1.024 47 V CB -0.630 31.218 31.823 0.042 0.000 0.648 47 V HN 0.471 nan 8.190 nan 0.000 0.447 48 E N 0.347 120.570 120.200 0.037 0.000 2.472 48 E HA -0.189 4.160 4.350 -0.001 0.000 0.200 48 E C 1.537 178.082 176.600 -0.091 0.000 1.046 48 E CA 0.880 57.291 56.400 0.017 0.000 0.871 48 E CB -0.196 29.530 29.700 0.043 0.000 0.806 48 E HN 0.538 nan 8.360 nan 0.000 0.533 49 K N 0.218 120.496 120.400 -0.202 0.000 2.373 49 K HA 0.137 4.457 4.320 -0.001 0.000 0.202 49 K C -0.534 175.475 176.600 -0.984 0.000 1.025 49 K CA -0.395 55.562 56.287 -0.551 0.000 1.115 49 K CB 0.329 32.710 32.500 -0.199 0.000 0.858 49 K HN 0.053 nan 8.250 nan 0.000 0.525 50 F N 1.586 121.083 119.950 -0.755 0.000 2.411 50 F HA 0.300 4.827 4.527 -0.001 0.000 0.355 50 F C -0.685 174.744 175.800 -0.618 0.000 1.117 50 F CA -0.826 56.766 58.000 -0.679 0.000 1.139 50 F CB 0.319 38.964 39.000 -0.592 0.000 1.120 50 F HN -0.218 nan 8.300 nan 0.000 0.493 51 F N 5.350 124.873 119.950 -0.710 0.000 2.532 51 F HA 0.660 5.186 4.527 -0.001 0.000 0.321 51 F C -0.554 174.973 175.800 -0.456 0.000 1.089 51 F CA -1.437 56.317 58.000 -0.409 0.000 0.926 51 F CB 1.627 40.491 39.000 -0.226 0.000 1.168 51 F HN 0.215 nan 8.300 nan 0.000 0.459 52 V N 2.301 122.235 119.914 0.034 0.000 2.623 52 V HA 0.846 4.966 4.120 -0.001 0.000 0.304 52 V C -0.665 175.480 176.094 0.085 0.000 1.054 52 V CA -0.777 61.582 62.300 0.099 0.000 0.882 52 V CB 1.431 33.356 31.823 0.170 0.000 1.002 52 V HN 1.033 nan 8.190 nan 0.000 0.424 53 A N 6.002 128.878 122.820 0.092 0.000 2.425 53 A HA 0.629 4.948 4.320 -0.001 0.000 0.249 53 A C 0.035 177.611 177.584 -0.012 0.000 1.084 53 A CA 0.220 52.272 52.037 0.026 0.000 0.781 53 A CB 0.612 19.640 19.000 0.047 0.000 1.019 53 A HN 1.819 nan 8.150 nan 0.000 0.490 54 V N 0.676 120.544 119.914 -0.076 0.000 2.539 54 V HA 0.662 4.782 4.120 -0.001 0.000 0.292 54 V C -2.476 173.464 176.094 -0.257 0.000 1.045 54 V CA -2.339 59.878 62.300 -0.138 0.000 0.945 54 V CB 1.339 33.085 31.823 -0.129 0.000 0.993 54 V HN 0.778 nan 8.190 nan 0.000 0.464 55 P HA 0.219 nan 4.420 nan 0.000 0.287 55 P C 0.798 177.690 177.300 -0.681 0.000 1.281 55 P CA -0.114 62.352 63.100 -1.056 0.000 0.781 55 P CB 1.751 32.403 31.700 -1.747 0.000 0.903 56 S N 2.923 118.430 115.700 -0.323 0.000 2.400 56 S HA -0.179 4.290 4.470 -0.001 0.000 0.232 56 S C 1.401 176.071 174.600 0.118 0.000 1.025 56 S CA 0.711 58.931 58.200 0.033 0.000 0.993 56 S CB -1.346 62.014 63.200 0.267 0.000 0.808 56 S HN 0.693 nan 8.310 nan 0.000 0.478 57 W N 1.328 122.750 121.300 0.202 0.000 3.180 57 W HA 0.613 5.272 4.660 -0.001 0.000 0.254 57 W C 1.482 178.052 176.519 0.085 0.000 1.318 57 W CA -0.276 57.152 57.345 0.137 0.000 1.608 57 W CB -0.526 29.085 29.460 0.252 0.000 1.124 57 W HN 0.211 nan 8.180 nan 0.000 0.694 58 G N 0.387 109.079 108.800 -0.181 0.000 3.159 58 G HA2 0.060 4.019 3.960 -0.001 0.000 0.232 58 G HA3 0.060 4.019 3.960 -0.001 0.000 0.232 58 G C 0.963 175.931 174.900 0.114 0.000 1.116 58 G CA 0.355 45.456 45.100 0.002 0.000 0.767 58 G HN 0.189 nan 8.290 nan 0.000 0.547 59 V N 0.836 120.762 119.914 0.020 0.000 2.871 59 V HA 0.173 4.292 4.120 -0.001 0.000 0.256 59 V C 1.779 177.904 176.094 0.053 0.000 1.082 59 V CA 1.246 63.553 62.300 0.011 0.000 1.105 59 V CB -0.365 31.465 31.823 0.012 0.000 0.713 59 V HN 0.315 nan 8.190 nan 0.000 0.473 60 G N -0.632 108.215 108.800 0.079 0.000 2.471 60 G HA2 0.458 4.417 3.960 -0.001 0.000 0.332 60 G HA3 0.458 4.417 3.960 -0.001 0.000 0.332 60 G C -0.392 174.570 174.900 0.103 0.000 1.176 60 G CA -0.300 44.846 45.100 0.078 0.000 0.949 60 G HN 0.118 nan 8.290 nan 0.000 0.488 61 T N 0.402 115.013 114.554 0.096 0.000 2.916 61 T HA 0.445 4.794 4.350 -0.001 0.000 0.303 61 T C 0.954 175.708 174.700 0.089 0.000 1.025 61 T CA 0.581 62.751 62.100 0.116 0.000 1.142 61 T CB 1.067 70.005 68.868 0.116 0.000 0.947 61 T HN 0.720 nan 8.240 nan 0.000 0.544 62 G N 0.859 109.719 108.800 0.100 0.000 2.531 62 G HA2 0.741 4.700 3.960 -0.001 0.000 0.313 62 G HA3 0.741 4.700 3.960 -0.001 0.000 0.313 62 G C -0.098 174.847 174.900 0.075 0.000 1.238 62 G CA -0.403 44.734 45.100 0.063 0.000 0.994 62 G HN 0.979 nan 8.290 nan 0.000 0.493 63 G N -1.935 106.899 108.800 0.056 0.000 2.721 63 G HA2 0.714 4.673 3.960 -0.001 0.000 0.296 63 G HA3 0.714 4.673 3.960 -0.001 0.000 0.296 63 G C -0.443 174.502 174.900 0.074 0.000 1.383 63 G CA 0.366 45.507 45.100 0.069 0.000 0.788 63 G HN 1.130 nan 8.290 nan 0.000 0.500 64 T N -3.015 111.595 114.554 0.094 0.000 2.841 64 T HA 0.445 4.795 4.350 -0.001 0.000 0.276 64 T C 1.418 176.134 174.700 0.028 0.000 1.003 64 T CA -0.201 61.960 62.100 0.102 0.000 0.995 64 T CB 1.697 70.694 68.868 0.215 0.000 1.260 64 T HN 0.783 nan 8.240 nan 0.000 0.581 65 R N -0.611 119.849 120.500 -0.067 0.000 2.285 65 R HA 0.094 4.434 4.340 -0.001 0.000 0.213 65 R C 1.179 177.301 176.300 -0.295 0.000 1.068 65 R CA 1.134 57.110 56.100 -0.207 0.000 1.004 65 R CB -0.717 29.392 30.300 -0.318 0.000 0.873 65 R HN 0.496 nan 8.270 nan 0.000 0.467 66 F N 0.888 120.854 119.950 0.028 0.000 2.317 66 F HA 0.374 4.901 4.527 -0.001 0.000 0.293 66 F C 1.177 176.957 175.800 -0.034 0.000 1.085 66 F CA 0.632 58.642 58.000 0.017 0.000 1.390 66 F CB 0.263 39.291 39.000 0.047 0.000 1.077 66 F HN 0.221 nan 8.300 nan 0.000 0.517 67 A N -0.541 122.335 122.820 0.093 0.000 2.544 67 A HA 0.670 4.989 4.320 -0.001 0.000 0.291 67 A C -1.243 176.189 177.584 -0.253 0.000 1.055 67 A CA -0.836 51.095 52.037 -0.176 0.000 0.651 67 A CB 1.076 19.838 19.000 -0.397 0.000 1.296 67 A HN 0.051 nan 8.150 nan 0.000 0.431 68 R N 0.053 120.274 120.500 -0.465 0.000 2.538 68 R HA 0.674 5.013 4.340 -0.001 0.000 0.292 68 R C -2.189 173.841 176.300 -0.450 0.000 1.008 68 R CA -0.463 55.468 56.100 -0.281 0.000 0.896 68 R CB 0.931 31.156 30.300 -0.125 0.000 1.187 68 R HN 0.586 nan 8.270 nan 0.000 0.440 69 F N 5.673 125.653 119.950 0.050 0.000 2.366 69 F HA 0.344 4.871 4.527 -0.001 0.000 0.357 69 F C -1.616 174.211 175.800 0.045 0.000 1.107 69 F CA -1.923 56.105 58.000 0.046 0.000 1.208 69 F CB 1.065 40.093 39.000 0.047 0.000 1.464 69 F HN 0.289 nan 8.300 nan 0.000 0.501 70 P HA 0.141 nan 4.420 nan 0.000 0.267 70 P C 0.344 177.718 177.300 0.122 0.000 1.200 70 P CA 0.162 63.331 63.100 0.115 0.000 0.772 70 P CB 1.396 33.138 31.700 0.069 0.000 0.855 71 G N 1.313 110.176 108.800 0.105 0.000 2.606 71 G HA2 0.535 4.494 3.960 -0.001 0.000 0.262 71 G HA3 0.535 4.494 3.960 -0.001 0.000 0.262 71 G C -0.249 174.697 174.900 0.076 0.000 1.394 71 G CA -0.364 44.791 45.100 0.092 0.000 1.044 71 G HN 0.670 nan 8.290 nan 0.000 0.553 72 T N -3.523 111.071 114.554 0.067 0.000 2.899 72 T HA 0.448 4.798 4.350 -0.001 0.000 0.284 72 T C 1.262 175.996 174.700 0.055 0.000 1.004 72 T CA 0.734 62.866 62.100 0.052 0.000 1.043 72 T CB 1.035 69.926 68.868 0.039 0.000 1.013 72 T HN 2.152 nan 8.240 nan 0.000 0.518 73 G N 1.121 109.944 108.800 0.039 0.000 2.305 73 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.287 73 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.287 73 G C -0.016 174.920 174.900 0.061 0.000 1.036 73 G CA -0.048 45.074 45.100 0.037 0.000 0.887 73 G HN 0.886 nan 8.290 nan 0.000 0.505 74 E N 0.889 121.125 120.200 0.061 0.000 2.414 74 E HA 0.149 4.498 4.350 -0.001 0.000 0.263 74 E C -1.606 175.035 176.600 0.067 0.000 1.000 74 E CA -1.276 55.164 56.400 0.067 0.000 0.914 74 E CB 0.642 30.375 29.700 0.056 0.000 0.948 74 E HN 0.354 nan 8.360 nan 0.000 0.444 75 P HA 0.074 nan 4.420 nan 0.000 0.268 75 P C -0.095 177.249 177.300 0.072 0.000 1.204 75 P CA 0.090 63.241 63.100 0.085 0.000 0.768 75 P CB 0.594 32.350 31.700 0.094 0.000 0.842 76 R N 1.404 121.952 120.500 0.080 0.000 2.300 76 R HA 0.380 4.720 4.340 -0.001 0.000 0.199 76 R C 1.183 177.534 176.300 0.086 0.000 0.920 76 R CA 0.194 56.338 56.100 0.073 0.000 1.046 76 R CB 0.369 30.712 30.300 0.071 0.000 0.984 76 R HN 0.667 nan 8.270 nan 0.000 0.493 77 G N -0.424 108.437 108.800 0.102 0.000 2.430 77 G HA2 0.108 4.067 3.960 -0.001 0.000 0.300 77 G HA3 0.108 4.067 3.960 -0.001 0.000 0.300 77 G C -0.324 174.628 174.900 0.087 0.000 1.330 77 G CA -0.770 44.392 45.100 0.104 0.000 0.813 77 G HN -0.034 nan 8.290 nan 0.000 0.487 78 I N -0.363 120.217 120.570 0.017 0.000 2.226 78 I HA 0.052 4.221 4.170 -0.001 0.000 0.245 78 I C 2.305 178.365 176.117 -0.094 0.000 1.100 78 I CA 1.546 62.806 61.300 -0.066 0.000 1.374 78 I CB -0.494 37.389 38.000 -0.196 0.000 1.057 78 I HN 0.415 nan 8.210 nan 0.000 0.413 79 F N 0.922 120.940 119.950 0.113 0.000 2.134 79 F HA -0.200 4.326 4.527 -0.001 0.000 0.299 79 F C 2.354 178.211 175.800 0.095 0.000 1.097 79 F CA 1.744 59.805 58.000 0.101 0.000 1.264 79 F CB -1.108 37.941 39.000 0.082 0.000 1.001 79 F HN 0.116 nan 8.300 nan 0.000 0.479 80 D N 0.186 120.736 120.400 0.250 0.000 2.117 80 D HA -0.137 4.503 4.640 -0.001 0.000 0.197 80 D C 2.141 178.532 176.300 0.152 0.000 0.987 80 D CA 1.192 55.300 54.000 0.181 0.000 0.829 80 D CB -0.276 40.611 40.800 0.144 0.000 0.961 80 D HN 0.216 nan 8.370 nan 0.000 0.460 81 K N 0.063 120.537 120.400 0.124 0.000 2.097 81 K HA -0.065 4.254 4.320 -0.001 0.000 0.206 81 K C 2.251 178.901 176.600 0.084 0.000 1.049 81 K CA 0.619 56.963 56.287 0.096 0.000 0.933 81 K CB -0.114 32.439 32.500 0.088 0.000 0.717 81 K HN 0.175 nan 8.250 nan 0.000 0.442 82 L N 0.997 122.280 121.223 0.099 0.000 2.056 82 L HA -0.205 4.134 4.340 -0.001 0.000 0.207 82 L C 1.876 178.796 176.870 0.082 0.000 1.078 82 L CA 1.030 55.921 54.840 0.084 0.000 0.749 82 L CB -0.488 41.650 42.059 0.131 0.000 0.901 82 L HN 0.166 nan 8.230 nan 0.000 0.433 83 D N 0.212 120.691 120.400 0.132 0.000 2.123 83 D HA -0.186 4.453 4.640 -0.001 0.000 0.196 83 D C 1.779 178.163 176.300 0.140 0.000 0.992 83 D CA 1.304 55.392 54.000 0.147 0.000 0.833 83 D CB -0.176 40.738 40.800 0.189 0.000 0.954 83 D HN 0.301 nan 8.370 nan 0.000 0.455 84 D N -0.399 120.085 120.400 0.138 0.000 2.149 84 D HA -0.075 4.565 4.640 -0.001 0.000 0.201 84 D C 2.182 178.459 176.300 -0.038 0.000 0.972 84 D CA 0.407 54.458 54.000 0.085 0.000 0.835 84 D CB -0.570 40.301 40.800 0.117 0.000 0.966 84 D HN 0.211 nan 8.370 nan 0.000 0.476 85 C N 1.104 120.388 119.300 -0.028 0.000 2.422 85 C HA -0.032 4.427 4.460 -0.001 0.000 0.279 85 C C 2.851 177.789 174.990 -0.088 0.000 1.305 85 C CA 0.711 59.684 59.018 -0.074 0.000 1.757 85 C CB -0.993 26.705 27.740 -0.070 0.000 1.962 85 C HN 0.360 nan 8.230 nan 0.000 0.499 86 A N 0.040 122.825 122.820 -0.059 0.000 1.972 86 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 86 A C 2.238 179.781 177.584 -0.069 0.000 1.169 86 A CA 1.901 53.904 52.037 -0.056 0.000 0.635 86 A CB -0.530 18.460 19.000 -0.016 0.000 0.810 86 A HN 0.392 nan 8.150 nan 0.000 0.446 87 V N 0.209 120.050 119.914 -0.122 0.000 2.358 87 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 87 V C 2.393 178.396 176.094 -0.152 0.000 1.047 87 V CA 1.958 64.146 62.300 -0.187 0.000 1.035 87 V CB -0.640 30.928 31.823 -0.425 0.000 0.658 87 V HN 0.593 nan 8.190 nan 0.000 0.452 88 I N 0.027 120.498 120.570 -0.165 0.000 2.226 88 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 88 I C 2.634 178.693 176.117 -0.096 0.000 1.100 88 I CA 1.827 63.037 61.300 -0.150 0.000 1.374 88 I CB -0.401 37.507 38.000 -0.153 0.000 1.057 88 I HN 0.362 nan 8.210 nan 0.000 0.413 89 Q N 1.317 121.065 119.800 -0.086 0.000 2.046 89 Q HA -0.262 4.077 4.340 -0.001 0.000 0.200 89 Q C 2.165 178.145 176.000 -0.034 0.000 0.975 89 Q CA 1.857 57.620 55.803 -0.067 0.000 0.836 89 Q CB -0.443 28.238 28.738 -0.095 0.000 0.896 89 Q HN 0.483 nan 8.270 nan 0.000 0.428 90 Q N -0.549 119.240 119.800 -0.019 0.000 2.096 90 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 90 Q C 1.928 177.934 176.000 0.010 0.000 0.982 90 Q CA 1.809 57.627 55.803 0.026 0.000 0.850 90 Q CB -0.098 28.681 28.738 0.069 0.000 0.901 90 Q HN 0.543 nan 8.270 nan 0.000 0.422 91 L N -0.458 120.756 121.223 -0.015 0.000 2.162 91 L HA -0.044 4.296 4.340 -0.001 0.000 0.205 91 L C 2.608 179.470 176.870 -0.015 0.000 1.086 91 L CA 1.478 56.309 54.840 -0.016 0.000 0.778 91 L CB -0.364 41.680 42.059 -0.026 0.000 0.928 91 L HN 0.385 nan 8.230 nan 0.000 0.446 92 T N -4.852 109.691 114.554 -0.020 0.000 3.040 92 T HA 0.047 4.397 4.350 -0.001 0.000 0.252 92 T C 1.178 175.897 174.700 0.032 0.000 1.064 92 T CA -0.311 61.787 62.100 -0.003 0.000 1.110 92 T CB 0.209 69.069 68.868 -0.014 0.000 0.921 92 T HN 0.112 nan 8.240 nan 0.000 0.480 93 R N 0.304 120.823 120.500 0.032 0.000 3.946 93 R HA -0.164 4.176 4.340 -0.001 0.000 0.329 93 R C 0.954 177.354 176.300 0.166 0.000 1.209 93 R CA 0.912 57.054 56.100 0.070 0.000 0.909 93 R CB -2.393 27.959 30.300 0.086 0.000 1.355 93 R HN 0.709 nan 8.270 nan 0.000 0.539 94 A N -0.180 122.722 122.820 0.137 0.000 2.431 94 A HA 0.153 4.472 4.320 -0.001 0.000 0.239 94 A C 0.913 178.602 177.584 0.174 0.000 1.230 94 A CA 0.903 53.083 52.037 0.239 0.000 0.928 94 A CB 0.443 19.532 19.000 0.148 0.000 1.006 94 A HN 0.304 nan 8.150 nan 0.000 0.520 95 T N -2.515 112.056 114.554 0.028 0.000 3.585 95 T HA 0.355 4.704 4.350 -0.001 0.000 0.252 95 T C -1.933 172.679 174.700 -0.147 0.000 1.382 95 T CA -1.064 61.009 62.100 -0.046 0.000 1.584 95 T CB 1.031 69.868 68.868 -0.052 0.000 0.892 95 T HN 0.103 nan 8.240 nan 0.000 0.671 96 P HA 0.025 nan 4.420 nan 0.000 0.233 96 P C -0.162 176.963 177.300 -0.292 0.000 1.167 96 P CA 0.311 63.211 63.100 -0.333 0.000 0.770 96 P CB 0.066 31.423 31.700 -0.571 0.000 0.837 97 N N -0.880 117.678 118.700 -0.236 0.000 2.314 97 N HA 0.395 5.134 4.740 -0.001 0.000 0.304 97 N C -1.193 174.213 175.510 -0.173 0.000 1.073 97 N CA -0.870 52.047 53.050 -0.220 0.000 0.822 97 N CB 2.461 40.863 38.487 -0.142 0.000 1.280 97 N HN -0.314 nan 8.380 nan 0.000 0.489 98 V N 0.981 120.768 119.914 -0.212 0.000 2.581 98 V HA 0.437 4.557 4.120 -0.001 0.000 0.303 98 V C -0.243 175.899 176.094 0.080 0.000 1.041 98 V CA -0.671 61.571 62.300 -0.096 0.000 0.907 98 V CB 1.770 33.523 31.823 -0.117 0.000 0.994 98 V HN 0.655 nan 8.190 nan 0.000 0.442 99 S N 5.060 120.812 115.700 0.087 0.000 2.438 99 S HA 0.632 5.101 4.470 -0.001 0.000 0.293 99 S C -0.331 174.511 174.600 0.403 0.000 1.141 99 S CA -0.432 57.910 58.200 0.236 0.000 1.080 99 S CB 0.550 63.885 63.200 0.224 0.000 0.978 99 S HN 0.463 nan 8.310 nan 0.000 0.479 100 L N 3.259 124.737 121.223 0.425 0.000 2.375 100 L HA 0.514 4.853 4.340 -0.001 0.000 0.268 100 L C 0.077 177.219 176.870 0.453 0.000 1.058 100 L CA -0.716 54.386 54.840 0.436 0.000 0.803 100 L CB 0.832 43.043 42.059 0.254 0.000 1.212 100 L HN 0.574 nan 8.230 nan 0.000 0.451 101 H N 2.982 122.280 119.070 0.380 0.000 2.689 101 H HA 0.454 5.009 4.556 -0.001 0.000 0.346 101 H C -1.116 174.255 175.328 0.073 0.000 1.037 101 H CA -0.548 55.597 56.048 0.163 0.000 1.234 101 H CB 1.803 31.654 29.762 0.149 0.000 1.572 101 H HN 0.218 nan 8.280 nan 0.000 0.524 102 I N 6.751 127.391 120.570 0.116 0.000 2.412 102 I HA 0.198 4.367 4.170 -0.001 0.000 0.296 102 I C -1.623 174.521 176.117 0.044 0.000 0.987 102 I CA -2.585 58.764 61.300 0.082 0.000 1.180 102 I CB 1.799 39.805 38.000 0.010 0.000 1.340 102 I HN 0.454 nan 8.210 nan 0.000 0.455 103 P HA -0.029 nan 4.420 nan 0.000 0.249 103 P C 1.157 178.568 177.300 0.185 0.000 1.229 103 P CA 0.438 63.586 63.100 0.080 0.000 0.788 103 P CB 0.221 31.967 31.700 0.077 0.000 1.072 104 W N 1.973 123.337 121.300 0.107 0.000 2.305 104 W HA -0.126 4.533 4.660 -0.001 0.000 0.308 104 W C 0.920 177.497 176.519 0.096 0.000 1.226 104 W CA 1.196 58.596 57.345 0.093 0.000 1.253 104 W CB -1.675 27.846 29.460 0.100 0.000 1.146 104 W HN 0.123 nan 8.180 nan 0.000 0.507 105 D N 0.131 120.736 120.400 0.341 0.000 2.427 105 D HA 0.017 4.656 4.640 -0.001 0.000 0.224 105 D C 0.506 176.856 176.300 0.082 0.000 1.157 105 D CA 0.072 54.187 54.000 0.191 0.000 0.828 105 D CB -0.310 40.615 40.800 0.208 0.000 0.974 105 D HN 0.260 nan 8.370 nan 0.000 0.498 106 K N 0.558 121.016 120.400 0.097 0.000 2.448 106 K HA 0.458 4.778 4.320 -0.001 0.000 0.278 106 K C -0.184 176.438 176.600 0.037 0.000 1.009 106 K CA -0.284 56.035 56.287 0.053 0.000 0.995 106 K CB 1.085 33.623 32.500 0.063 0.000 0.917 106 K HN -0.069 nan 8.250 nan 0.000 0.481 107 A N 2.249 125.082 122.820 0.022 0.000 2.522 107 A HA 0.167 4.486 4.320 -0.001 0.000 0.291 107 A C -1.709 175.917 177.584 0.070 0.000 1.039 107 A CA -0.843 51.233 52.037 0.065 0.000 0.643 107 A CB 0.688 19.695 19.000 0.013 0.000 1.310 107 A HN 0.876 nan 8.150 nan 0.000 0.436 108 D N 1.139 121.619 120.400 0.133 0.000 2.455 108 D HA 0.238 4.877 4.640 -0.001 0.000 0.265 108 D C -1.387 174.962 176.300 0.082 0.000 1.284 108 D CA -0.542 53.519 54.000 0.102 0.000 0.944 108 D CB 0.670 41.541 40.800 0.119 0.000 1.121 108 D HN 0.117 nan 8.370 nan 0.000 0.525 109 P HA -0.222 nan 4.420 nan 0.000 0.216 109 P C 1.121 178.419 177.300 -0.004 0.000 1.154 109 P CA 1.341 64.421 63.100 -0.032 0.000 0.865 109 P CB 0.155 31.827 31.700 -0.045 0.000 0.789 110 K N 0.040 120.457 120.400 0.029 0.000 2.063 110 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 110 K C 2.043 178.694 176.600 0.085 0.000 1.048 110 K CA 1.548 57.861 56.287 0.044 0.000 0.928 110 K CB -0.762 31.761 32.500 0.038 0.000 0.713 110 K HN -0.053 nan 8.250 nan 0.000 0.442 111 E N 0.234 120.514 120.200 0.133 0.000 2.107 111 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 111 E C 2.006 178.810 176.600 0.341 0.000 0.982 111 E CA 0.839 57.369 56.400 0.217 0.000 0.809 111 E CB -0.108 29.759 29.700 0.278 0.000 0.756 111 E HN 0.334 nan 8.360 nan 0.000 0.459 112 L N 0.539 121.912 121.223 0.250 0.000 1.994 112 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 112 L C 2.544 179.554 176.870 0.232 0.000 1.071 112 L CA 1.231 56.174 54.840 0.170 0.000 0.745 112 L CB -0.476 41.509 42.059 -0.123 0.000 0.892 112 L HN 0.040 nan 8.230 nan 0.000 0.431 113 K N 0.643 121.107 120.400 0.106 0.000 2.103 113 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 113 K C 1.971 178.699 176.600 0.213 0.000 1.048 113 K CA 1.609 58.015 56.287 0.199 0.000 0.930 113 K CB -0.377 32.175 32.500 0.087 0.000 0.716 113 K HN 0.261 nan 8.250 nan 0.000 0.444 114 A N 0.387 123.305 122.820 0.164 0.000 1.898 114 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 114 A C 2.190 179.858 177.584 0.140 0.000 1.181 114 A CA 1.792 53.904 52.037 0.126 0.000 0.620 114 A CB -0.538 18.520 19.000 0.095 0.000 0.819 114 A HN 0.289 nan 8.150 nan 0.000 0.442 115 R N 0.083 120.711 120.500 0.212 0.000 2.115 115 R HA -0.006 4.334 4.340 -0.001 0.000 0.230 115 R C 2.080 178.479 176.300 0.164 0.000 1.111 115 R CA 1.607 57.832 56.100 0.208 0.000 0.976 115 R CB -1.227 29.289 30.300 0.360 0.000 0.870 115 R HN 0.408 nan 8.270 nan 0.000 0.445 116 G N 0.216 109.147 108.800 0.219 0.000 2.414 116 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 116 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 116 G C 0.990 175.898 174.900 0.014 0.000 1.188 116 G CA 0.894 46.047 45.100 0.090 0.000 0.783 116 G HN 0.314 nan 8.290 nan 0.000 0.537 117 D N 1.211 121.648 120.400 0.061 0.000 2.104 117 D HA -0.104 4.535 4.640 -0.001 0.000 0.194 117 D C 2.833 179.122 176.300 -0.017 0.000 0.994 117 D CA 1.382 55.391 54.000 0.015 0.000 0.830 117 D CB -0.567 40.254 40.800 0.036 0.000 0.959 117 D HN 0.301 nan 8.370 nan 0.000 0.452 118 A N 0.671 123.489 122.820 -0.002 0.000 1.908 118 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 118 A C 2.340 179.883 177.584 -0.069 0.000 1.181 118 A CA 1.029 53.047 52.037 -0.032 0.000 0.627 118 A CB -0.740 18.254 19.000 -0.009 0.000 0.818 118 A HN 0.242 nan 8.150 nan 0.000 0.445 119 L N -1.347 119.847 121.223 -0.048 0.000 2.492 119 L HA 0.184 4.524 4.340 -0.001 0.000 0.223 119 L C 1.540 178.351 176.870 -0.098 0.000 1.132 119 L CA 0.489 55.288 54.840 -0.068 0.000 0.850 119 L CB -0.281 41.759 42.059 -0.031 0.000 0.966 119 L HN 0.596 nan 8.230 nan 0.000 0.454 120 G N 0.920 109.659 108.800 -0.102 0.000 2.182 120 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.248 120 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.248 120 G C -0.193 174.615 174.900 -0.154 0.000 1.042 120 G CA -0.171 44.860 45.100 -0.115 0.000 0.775 120 G HN 0.212 nan 8.290 nan 0.000 0.501 121 L N -0.405 120.706 121.223 -0.187 0.000 2.354 121 L HA 0.835 5.174 4.340 -0.001 0.000 0.269 121 L C 0.955 177.578 176.870 -0.411 0.000 1.005 121 L CA -0.559 54.103 54.840 -0.297 0.000 0.819 121 L CB 2.043 43.905 42.059 -0.329 0.000 1.311 121 L HN 0.247 nan 8.230 nan 0.000 0.423 122 G N 0.560 109.087 108.800 -0.456 0.000 2.820 122 G HA2 0.750 4.709 3.960 -0.001 0.000 0.291 122 G HA3 0.750 4.709 3.960 -0.001 0.000 0.291 122 G C -1.537 172.946 174.900 -0.695 0.000 1.323 122 G CA -0.419 44.428 45.100 -0.422 0.000 1.055 122 G HN 0.276 nan 8.290 nan 0.000 0.520 123 F N -0.240 119.686 119.950 -0.040 0.000 2.540 123 F HA 0.379 4.906 4.527 -0.001 0.000 0.317 123 F C 0.366 176.142 175.800 -0.041 0.000 1.104 123 F CA -0.857 57.129 58.000 -0.024 0.000 0.913 123 F CB 2.276 41.274 39.000 -0.005 0.000 1.170 123 F HN 0.365 nan 8.300 nan 0.000 0.450 124 D N 1.016 121.496 120.400 0.134 0.000 2.475 124 D HA 0.523 5.163 4.640 -0.001 0.000 0.286 124 D C -0.056 176.289 176.300 0.075 0.000 1.205 124 D CA -0.262 53.784 54.000 0.077 0.000 1.092 124 D CB 1.357 42.211 40.800 0.089 0.000 1.147 124 D HN 0.640 nan 8.370 nan 0.000 0.575 125 A N 0.530 123.399 122.820 0.083 0.000 2.555 125 A HA 0.139 4.458 4.320 -0.001 0.000 0.233 125 A C 0.589 178.244 177.584 0.119 0.000 1.060 125 A CA 0.172 52.244 52.037 0.059 0.000 0.759 125 A CB 0.098 19.222 19.000 0.207 0.000 0.995 125 A HN 0.431 nan 8.150 nan 0.000 0.506 126 M N 1.802 121.448 119.600 0.078 0.000 2.247 126 M HA 0.240 4.719 4.480 -0.001 0.000 0.326 126 M C 0.001 176.350 176.300 0.083 0.000 1.134 126 M CA 0.072 55.441 55.300 0.115 0.000 1.136 126 M CB 0.325 33.020 32.600 0.158 0.000 1.454 126 M HN 0.676 nan 8.290 nan 0.000 0.467 127 N N 0.776 119.451 118.700 -0.040 0.000 2.461 127 N HA 0.291 5.031 4.740 -0.001 0.000 0.284 127 N C -0.941 174.353 175.510 -0.361 0.000 1.049 127 N CA -0.203 52.687 53.050 -0.268 0.000 0.889 127 N CB 1.827 39.919 38.487 -0.658 0.000 1.365 127 N HN 0.631 nan 8.380 nan 0.000 0.499 128 S N 1.581 117.199 115.700 -0.136 0.000 2.632 128 S HA 0.358 4.827 4.470 -0.001 0.000 0.267 128 S C 0.033 174.660 174.600 0.044 0.000 1.276 128 S CA -0.656 57.576 58.200 0.054 0.000 0.998 128 S CB 1.518 64.791 63.200 0.123 0.000 0.953 128 S HN 0.559 nan 8.310 nan 0.000 0.547 129 N N 0.557 119.265 118.700 0.013 0.000 2.609 129 N HA 0.248 4.987 4.740 -0.001 0.000 0.268 129 N C -0.683 174.335 175.510 -0.819 0.000 1.106 129 N CA -0.363 52.336 53.050 -0.585 0.000 0.823 129 N CB 1.292 39.274 38.487 -0.843 0.000 1.263 129 N HN 0.843 nan 8.380 nan 0.000 0.533 130 T N -0.021 114.124 114.554 -0.680 0.000 3.331 130 T HA 0.222 4.572 4.350 -0.001 0.000 0.282 130 T C 0.444 174.789 174.700 -0.591 0.000 1.010 130 T CA -0.480 61.108 62.100 -0.853 0.000 0.928 130 T CB -1.199 67.012 68.868 -1.095 0.000 1.154 130 T HN 0.264 nan 8.240 nan 0.000 0.516 131 F N 0.453 120.247 119.950 -0.260 0.000 2.661 131 F HA 0.657 5.184 4.527 -0.001 0.000 0.306 131 F C 0.143 175.941 175.800 -0.005 0.000 1.094 131 F CA -1.092 56.801 58.000 -0.179 0.000 1.254 131 F CB -0.208 38.638 39.000 -0.257 0.000 1.040 131 F HN 0.303 nan 8.300 nan 0.000 0.562 132 S N -1.234 114.404 115.700 -0.104 0.000 2.547 132 S HA 0.462 4.932 4.470 -0.001 0.000 0.270 132 S C -1.722 172.881 174.600 0.004 0.000 1.150 132 S CA -0.947 57.261 58.200 0.014 0.000 0.850 132 S CB 2.007 65.221 63.200 0.022 0.000 1.118 132 S HN 0.015 nan 8.310 nan 0.000 0.461 133 D N 1.412 121.809 120.400 -0.005 0.000 2.225 133 D HA 0.669 5.309 4.640 -0.001 0.000 0.248 133 D C 0.094 176.355 176.300 -0.064 0.000 1.096 133 D CA 0.058 54.008 54.000 -0.084 0.000 0.863 133 D CB 1.671 42.406 40.800 -0.108 0.000 1.156 133 D HN 0.853 nan 8.370 nan 0.000 0.450 134 A N 3.173 125.938 122.820 -0.092 0.000 2.282 134 A HA 0.650 4.969 4.320 -0.001 0.000 0.319 134 A C -2.352 175.201 177.584 -0.052 0.000 1.121 134 A CA -1.370 50.638 52.037 -0.048 0.000 0.836 134 A CB 0.329 19.303 19.000 -0.045 0.000 1.146 134 A HN 0.317 nan 8.150 nan 0.000 0.494 135 P HA 0.342 nan 4.420 nan 0.000 0.268 135 P C 0.879 178.156 177.300 -0.038 0.000 1.204 135 P CA 1.664 64.748 63.100 -0.026 0.000 0.768 135 P CB 0.752 32.450 31.700 -0.003 0.000 0.842 136 G N 1.382 110.150 108.800 -0.052 0.000 2.179 136 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.260 136 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.260 136 G C 0.240 175.088 174.900 -0.086 0.000 0.977 136 G CA -0.163 44.902 45.100 -0.059 0.000 0.641 136 G HN 0.653 nan 8.290 nan 0.000 0.533 137 Q N 0.184 119.916 119.800 -0.113 0.000 2.297 137 Q HA 0.625 4.965 4.340 -0.001 0.000 0.267 137 Q C 1.678 177.553 176.000 -0.209 0.000 1.006 137 Q CA 0.531 56.237 55.803 -0.162 0.000 0.896 137 Q CB 0.857 29.464 28.738 -0.218 0.000 1.186 137 Q HN 0.641 nan 8.270 nan 0.000 0.392 138 A N 4.371 127.042 122.820 -0.248 0.000 1.929 138 A HA -0.071 4.249 4.320 -0.001 0.000 0.216 138 A C -0.153 177.047 177.584 -0.640 0.000 1.176 138 A CA 1.097 52.879 52.037 -0.426 0.000 0.628 138 A CB -0.153 18.561 19.000 -0.476 0.000 0.816 138 A HN 0.857 nan 8.150 nan 0.000 0.444 139 H N -1.450 117.491 119.070 -0.214 0.000 2.538 139 H HA 0.525 5.081 4.556 -0.001 0.000 0.353 139 H C -0.310 174.776 175.328 -0.403 0.000 1.109 139 H CA -0.190 55.708 56.048 -0.251 0.000 1.192 139 H CB 1.593 31.212 29.762 -0.237 0.000 1.555 139 H HN 0.169 nan 8.280 nan 0.000 0.518 140 S N 1.490 117.080 115.700 -0.184 0.000 2.584 140 S HA 0.076 4.545 4.470 -0.001 0.000 0.273 140 S C -0.106 174.395 174.600 -0.164 0.000 1.311 140 S CA -0.475 57.583 58.200 -0.238 0.000 1.034 140 S CB 0.346 63.485 63.200 -0.101 0.000 0.939 140 S HN 0.581 nan 8.310 nan 0.000 0.513 141 Y N 2.848 123.136 120.300 -0.021 0.000 2.532 141 Y HA 0.292 4.841 4.550 -0.001 0.000 0.283 141 Y C 1.777 177.679 175.900 0.004 0.000 1.181 141 Y CA -0.509 57.597 58.100 0.011 0.000 1.256 141 Y CB -0.564 37.868 38.460 -0.048 0.000 1.112 141 Y HN 0.736 nan 8.280 nan 0.000 0.521 142 K N 0.029 120.451 120.400 0.036 0.000 2.044 142 K HA -0.212 4.107 4.320 -0.001 0.000 0.210 142 K C 0.244 176.699 176.600 -0.241 0.000 1.049 142 K CA 1.867 58.034 56.287 -0.200 0.000 0.927 142 K CB -0.174 32.039 32.500 -0.479 0.000 0.713 142 K HN 0.293 nan 8.250 nan 0.000 0.443 143 Y N -0.017 120.400 120.300 0.196 0.000 2.625 143 Y HA 0.351 4.900 4.550 -0.001 0.000 0.285 143 Y C 0.565 176.494 175.900 0.048 0.000 1.168 143 Y CA 0.131 58.276 58.100 0.074 0.000 1.250 143 Y CB 0.913 39.346 38.460 -0.046 0.000 1.130 143 Y HN 0.329 nan 8.280 nan 0.000 0.526 144 G N -0.650 108.320 108.800 0.284 0.000 2.371 144 G HA2 0.189 4.148 3.960 -0.001 0.000 0.663 144 G HA3 0.189 4.148 3.960 -0.001 0.000 0.663 144 G C 0.032 175.119 174.900 0.313 0.000 1.311 144 G CA -0.236 44.997 45.100 0.222 0.000 0.985 144 G HN 0.308 nan 8.290 nan 0.000 0.566 145 S N -1.258 114.506 115.700 0.106 0.000 4.163 145 S HA 0.335 4.804 4.470 -0.001 0.000 0.164 145 S C 1.995 176.598 174.600 0.005 0.000 0.896 145 S CA 0.591 58.750 58.200 -0.068 0.000 1.125 145 S CB -0.202 62.607 63.200 -0.651 0.000 1.698 145 S HN 0.898 nan 8.310 nan 0.000 0.817 146 L N 2.825 124.018 121.223 -0.051 0.000 2.362 146 L HA 0.135 4.474 4.340 -0.001 0.000 0.219 146 L C 1.950 178.862 176.870 0.071 0.000 1.134 146 L CA 1.329 56.157 54.840 -0.021 0.000 0.807 146 L CB -0.385 41.619 42.059 -0.091 0.000 0.927 146 L HN 0.703 nan 8.230 nan 0.000 0.447 147 S N -3.390 112.396 115.700 0.144 0.000 2.650 147 S HA 0.058 4.527 4.470 -0.001 0.000 0.240 147 S C 0.643 175.331 174.600 0.148 0.000 1.007 147 S CA -0.607 57.694 58.200 0.169 0.000 0.984 147 S CB -0.248 63.078 63.200 0.211 0.000 0.910 147 S HN 0.293 nan 8.310 nan 0.000 0.509 148 H N 2.864 121.979 119.070 0.075 0.000 2.948 148 H HA 0.064 4.619 4.556 -0.001 0.000 0.351 148 H C 1.618 176.980 175.328 0.056 0.000 1.079 148 H CA 1.708 57.808 56.048 0.088 0.000 1.407 148 H CB 1.479 31.306 29.762 0.109 0.000 1.373 148 H HN 0.448 nan 8.280 nan 0.000 0.605 149 T N 1.056 115.610 114.554 -0.001 0.000 2.915 149 T HA -0.161 4.189 4.350 -0.001 0.000 0.269 149 T C 0.935 175.753 174.700 0.196 0.000 1.071 149 T CA 0.641 62.785 62.100 0.072 0.000 1.132 149 T CB -0.090 68.753 68.868 -0.041 0.000 0.878 149 T HN 0.439 nan 8.240 nan 0.000 0.479 150 N N 1.077 120.065 118.700 0.479 0.000 2.430 150 N HA 0.526 5.265 4.740 -0.001 0.000 0.265 150 N C 1.127 176.643 175.510 0.011 0.000 1.100 150 N CA 0.342 53.488 53.050 0.160 0.000 0.961 150 N CB 1.058 39.559 38.487 0.024 0.000 1.075 150 N HN 0.218 nan 8.380 nan 0.000 0.478 151 A N 4.042 126.848 122.820 -0.024 0.000 1.908 151 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 151 A C 2.080 179.595 177.584 -0.116 0.000 1.181 151 A CA 1.996 54.003 52.037 -0.049 0.000 0.627 151 A CB -1.200 17.777 19.000 -0.038 0.000 0.818 151 A HN 0.779 nan 8.150 nan 0.000 0.445 152 A N -1.272 121.422 122.820 -0.211 0.000 1.972 152 A HA -0.063 4.256 4.320 -0.001 0.000 0.219 152 A C 2.261 179.573 177.584 -0.454 0.000 1.169 152 A CA 2.229 54.066 52.037 -0.333 0.000 0.635 152 A CB -1.083 17.637 19.000 -0.467 0.000 0.810 152 A HN 0.452 nan 8.150 nan 0.000 0.446 153 T N -0.419 113.835 114.554 -0.499 0.000 2.812 153 T HA -0.088 4.262 4.350 -0.001 0.000 0.264 153 T C 2.051 176.715 174.700 -0.060 0.000 1.042 153 T CA 1.289 63.186 62.100 -0.338 0.000 1.140 153 T CB -0.195 68.335 68.868 -0.563 0.000 0.870 153 T HN 0.520 nan 8.240 nan 0.000 0.445 154 R N 1.176 121.648 120.500 -0.048 0.000 2.081 154 R HA 0.044 4.384 4.340 -0.001 0.000 0.235 154 R C 2.824 179.118 176.300 -0.011 0.000 1.131 154 R CA 1.299 57.400 56.100 0.002 0.000 0.960 154 R CB -0.516 29.786 30.300 0.002 0.000 0.856 154 R HN 0.351 nan 8.270 nan 0.000 0.436 155 A N 1.206 124.006 122.820 -0.033 0.000 1.933 155 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 155 A C 2.137 179.729 177.584 0.012 0.000 1.175 155 A CA 1.386 53.410 52.037 -0.022 0.000 0.628 155 A CB -0.496 18.483 19.000 -0.033 0.000 0.814 155 A HN 0.393 nan 8.150 nan 0.000 0.444 156 Q N -0.509 119.315 119.800 0.039 0.000 2.084 156 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 156 Q C 2.159 178.251 176.000 0.153 0.000 0.978 156 Q CA 1.539 57.404 55.803 0.102 0.000 0.844 156 Q CB -0.333 28.489 28.738 0.140 0.000 0.898 156 Q HN 0.593 nan 8.270 nan 0.000 0.426 157 A N -0.016 122.896 122.820 0.154 0.000 1.930 157 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 157 A C 2.191 179.801 177.584 0.043 0.000 1.175 157 A CA 1.422 53.505 52.037 0.077 0.000 0.627 157 A CB -0.631 18.321 19.000 -0.079 0.000 0.815 157 A HN 0.303 nan 8.150 nan 0.000 0.443 158 V N 0.074 119.993 119.914 0.008 0.000 2.295 158 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 158 V C 2.622 178.706 176.094 -0.016 0.000 1.049 158 V CA 2.379 64.664 62.300 -0.025 0.000 1.024 158 V CB -0.697 31.100 31.823 -0.044 0.000 0.648 158 V HN 0.701 nan 8.190 nan 0.000 0.447 159 E N 0.037 120.241 120.200 0.007 0.000 2.118 159 E HA -0.272 4.077 4.350 -0.001 0.000 0.195 159 E C 2.217 178.815 176.600 -0.003 0.000 0.992 159 E CA 1.745 58.142 56.400 -0.005 0.000 0.804 159 E CB -0.529 29.179 29.700 0.013 0.000 0.741 159 E HN 0.751 nan 8.360 nan 0.000 0.458 160 H N 0.184 119.238 119.070 -0.027 0.000 2.353 160 H HA -0.066 4.489 4.556 -0.001 0.000 0.300 160 H C 1.625 176.915 175.328 -0.063 0.000 1.090 160 H CA 1.690 57.718 56.048 -0.033 0.000 1.327 160 H CB 0.005 29.762 29.762 -0.008 0.000 1.383 160 H HN 0.211 nan 8.280 nan 0.000 0.508 161 N N 0.636 119.261 118.700 -0.125 0.000 2.188 161 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 161 N C 2.301 177.687 175.510 -0.207 0.000 1.018 161 N CA 0.832 53.779 53.050 -0.172 0.000 0.858 161 N CB 0.043 38.492 38.487 -0.064 0.000 0.989 161 N HN 0.391 nan 8.380 nan 0.000 0.426 162 L N 1.316 122.434 121.223 -0.175 0.000 2.141 162 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 162 L C 2.034 178.777 176.870 -0.213 0.000 1.094 162 L CA 1.006 55.729 54.840 -0.194 0.000 0.763 162 L CB -0.307 41.662 42.059 -0.150 0.000 0.908 162 L HN 0.139 nan 8.230 nan 0.000 0.437 163 E N -0.587 119.487 120.200 -0.210 0.000 2.152 163 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 163 E C 2.322 178.793 176.600 -0.215 0.000 0.983 163 E CA 1.236 57.519 56.400 -0.196 0.000 0.818 163 E CB -0.095 29.499 29.700 -0.176 0.000 0.758 163 E HN 0.533 nan 8.360 nan 0.000 0.467 164 C N 0.620 119.752 119.300 -0.281 0.000 2.440 164 C HA -0.077 4.382 4.460 -0.001 0.000 0.278 164 C C 2.554 177.482 174.990 -0.103 0.000 1.295 164 C CA 0.262 59.161 59.018 -0.197 0.000 1.738 164 C CB -0.721 26.890 27.740 -0.216 0.000 1.987 164 C HN 0.397 nan 8.230 nan 0.000 0.492 165 I N 0.696 121.137 120.570 -0.213 0.000 2.226 165 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 165 I C 2.642 178.557 176.117 -0.336 0.000 1.100 165 I CA 1.320 62.347 61.300 -0.455 0.000 1.374 165 I CB -0.562 37.009 38.000 -0.715 0.000 1.057 165 I HN 0.319 nan 8.210 nan 0.000 0.413 166 E N 0.932 120.988 120.200 -0.240 0.000 2.077 166 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 166 E C 2.283 178.836 176.600 -0.078 0.000 0.989 166 E CA 1.372 57.676 56.400 -0.159 0.000 0.800 166 E CB -0.250 29.369 29.700 -0.135 0.000 0.746 166 E HN 0.525 nan 8.360 nan 0.000 0.452 167 I N 0.510 121.042 120.570 -0.063 0.000 2.179 167 I HA -0.213 3.956 4.170 -0.001 0.000 0.242 167 I C 2.515 178.636 176.117 0.006 0.000 1.088 167 I CA 1.364 62.641 61.300 -0.039 0.000 1.357 167 I CB -0.633 37.338 38.000 -0.048 0.000 1.051 167 I HN 0.125 nan 8.210 nan 0.000 0.409 168 G N 0.988 109.858 108.800 0.116 0.000 2.440 168 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.218 168 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.218 168 G C 1.696 176.775 174.900 0.299 0.000 1.154 168 G CA 0.697 45.959 45.100 0.270 0.000 0.767 168 G HN 0.347 nan 8.290 nan 0.000 0.552 169 K N 0.591 121.172 120.400 0.302 0.000 2.209 169 K HA 0.089 4.408 4.320 -0.001 0.000 0.204 169 K C 2.689 179.350 176.600 0.100 0.000 1.048 169 K CA 0.889 57.314 56.287 0.229 0.000 0.940 169 K CB -0.109 32.431 32.500 0.067 0.000 0.729 169 K HN 0.299 nan 8.250 nan 0.000 0.451 170 A N 1.290 124.134 122.820 0.040 0.000 2.123 170 A HA 0.012 4.331 4.320 -0.001 0.000 0.214 170 A C 1.877 179.448 177.584 -0.021 0.000 1.152 170 A CA 0.623 52.661 52.037 0.002 0.000 0.728 170 A CB -0.415 18.572 19.000 -0.022 0.000 0.814 170 A HN 0.445 nan 8.150 nan 0.000 0.464 171 I N -6.082 114.455 120.570 -0.056 0.000 4.082 171 I HA 0.522 4.691 4.170 -0.001 0.000 0.337 171 I C 1.035 177.173 176.117 0.034 0.000 1.352 171 I CA 0.518 61.738 61.300 -0.132 0.000 1.097 171 I CB 0.397 38.054 38.000 -0.571 0.000 1.048 171 I HN 0.273 nan 8.210 nan 0.000 0.393 172 G N 1.677 110.515 108.800 0.063 0.000 2.141 172 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.231 172 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.231 172 G C 0.275 175.187 174.900 0.021 0.000 0.984 172 G CA 0.284 45.429 45.100 0.076 0.000 0.660 172 G HN 0.556 nan 8.290 nan 0.000 0.525 173 S N -0.268 115.425 115.700 -0.012 0.000 2.585 173 S HA 0.601 5.071 4.470 -0.001 0.000 0.273 173 S C 0.939 175.145 174.600 -0.657 0.000 1.339 173 S CA 0.202 58.273 58.200 -0.215 0.000 1.028 173 S CB 0.688 63.790 63.200 -0.164 0.000 0.906 173 S HN 0.208 nan 8.310 nan 0.000 0.528 174 K N 1.721 121.562 120.400 -0.932 0.000 2.619 174 K HA 0.482 4.801 4.320 -0.001 0.000 0.201 174 K C -0.558 175.193 176.600 -1.415 0.000 1.090 174 K CA -0.060 55.407 56.287 -1.367 0.000 1.063 174 K CB 0.663 32.817 32.500 -0.576 0.000 0.810 174 K HN 0.591 nan 8.250 nan 0.000 0.506 175 A N 0.698 122.654 122.820 -1.440 0.000 2.605 175 A HA 0.644 4.963 4.320 -0.001 0.000 0.294 175 A C -2.108 175.316 177.584 -0.266 0.000 1.062 175 A CA -0.741 50.895 52.037 -0.668 0.000 0.682 175 A CB 1.269 19.983 19.000 -0.476 0.000 1.278 175 A HN 0.105 nan 8.150 nan 0.000 0.410 176 L N 0.957 122.182 121.223 0.003 0.000 2.349 176 L HA 0.768 5.108 4.340 -0.001 0.000 0.278 176 L C -0.474 176.444 176.870 0.080 0.000 0.996 176 L CA 0.280 55.207 54.840 0.145 0.000 0.825 176 L CB 1.958 44.147 42.059 0.216 0.000 1.243 176 L HN 0.647 nan 8.230 nan 0.000 0.412 177 T N 4.649 119.298 114.554 0.159 0.000 2.767 177 T HA 0.581 4.930 4.350 -0.001 0.000 0.284 177 T C -0.631 174.172 174.700 0.171 0.000 0.973 177 T CA -0.294 61.942 62.100 0.228 0.000 0.996 177 T CB 1.161 70.199 68.868 0.284 0.000 0.927 177 T HN 0.360 nan 8.240 nan 0.000 0.456 178 V N 4.572 124.600 119.914 0.190 0.000 2.326 178 V HA 0.454 4.574 4.120 -0.001 0.000 0.281 178 V C -0.896 175.346 176.094 0.246 0.000 1.015 178 V CA -1.012 61.393 62.300 0.175 0.000 0.823 178 V CB 0.826 32.723 31.823 0.123 0.000 1.009 178 V HN 0.910 nan 8.190 nan 0.000 0.436 179 W N 8.331 129.694 121.300 0.106 0.000 2.600 179 W HA 0.823 5.483 4.660 -0.001 0.000 0.325 179 W C -0.825 175.765 176.519 0.118 0.000 1.034 179 W CA -0.926 56.472 57.345 0.089 0.000 1.226 179 W CB 1.352 30.849 29.460 0.062 0.000 1.379 179 W HN 0.604 nan 8.180 nan 0.000 0.466 180 I N 2.788 122.762 120.570 -0.995 0.000 3.002 180 I HA 0.812 4.981 4.170 -0.001 0.000 0.310 180 I C 0.756 176.102 176.117 -1.284 0.000 1.087 180 I CA -1.193 59.554 61.300 -0.920 0.000 1.017 180 I CB 2.153 39.936 38.000 -0.361 0.000 1.226 180 I HN 0.648 nan 8.210 nan 0.000 0.443 181 G N 1.180 109.466 108.800 -0.858 0.000 3.042 181 G HA2 0.053 4.012 3.960 -0.001 0.000 0.212 181 G HA3 0.053 4.012 3.960 -0.001 0.000 0.212 181 G C -0.004 174.722 174.900 -0.289 0.000 1.166 181 G CA -0.129 44.638 45.100 -0.556 0.000 0.767 181 G HN 0.734 nan 8.290 nan 0.000 0.546 182 D N 0.900 121.156 120.400 -0.239 0.000 2.752 182 D HA 0.388 5.028 4.640 -0.001 0.000 0.225 182 D C 0.949 177.195 176.300 -0.090 0.000 1.104 182 D CA 1.870 55.805 54.000 -0.107 0.000 0.832 182 D CB 0.717 41.485 40.800 -0.054 0.000 1.161 182 D HN 0.387 nan 8.370 nan 0.000 0.505 183 G N 0.123 108.909 108.800 -0.024 0.000 2.399 183 G HA2 0.511 4.471 3.960 -0.001 0.000 0.256 183 G HA3 0.511 4.471 3.960 -0.001 0.000 0.256 183 G C -1.364 173.587 174.900 0.086 0.000 1.236 183 G CA -0.143 44.960 45.100 0.005 0.000 0.914 183 G HN 0.798 nan 8.290 nan 0.000 0.482 184 S N -1.208 114.573 115.700 0.134 0.000 2.588 184 S HA 0.658 5.128 4.470 -0.001 0.000 0.275 184 S C -0.383 174.362 174.600 0.241 0.000 1.130 184 S CA -0.705 57.635 58.200 0.233 0.000 0.855 184 S CB 2.220 65.624 63.200 0.340 0.000 1.116 184 S HN 0.424 nan 8.310 nan 0.000 0.472 185 N N -0.451 118.378 118.700 0.215 0.000 2.220 185 N HA 0.409 5.149 4.740 -0.001 0.000 0.195 185 N C -1.384 173.905 175.510 -0.369 0.000 1.123 185 N CA 0.223 53.259 53.050 -0.024 0.000 0.874 185 N CB 0.070 38.471 38.487 -0.144 0.000 0.995 185 N HN 0.594 nan 8.380 nan 0.000 0.498 186 F N 0.072 120.092 119.950 0.117 0.000 2.578 186 F HA 0.468 4.994 4.527 -0.001 0.000 0.311 186 F C -2.273 173.328 175.800 -0.331 0.000 1.094 186 F CA -2.522 55.411 58.000 -0.112 0.000 0.923 186 F CB 1.853 40.819 39.000 -0.056 0.000 1.230 186 F HN -0.309 nan 8.300 nan 0.000 0.450 187 P HA 0.222 nan 4.420 nan 0.000 0.268 187 P C 0.689 177.892 177.300 -0.163 0.000 1.204 187 P CA 1.181 63.930 63.100 -0.585 0.000 0.768 187 P CB 0.769 32.167 31.700 -0.502 0.000 0.842 188 G N 2.451 111.182 108.800 -0.115 0.000 2.284 188 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.247 188 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.247 188 G C 1.294 176.157 174.900 -0.061 0.000 1.012 188 G CA 0.513 45.550 45.100 -0.106 0.000 0.618 188 G HN 0.563 nan 8.290 nan 0.000 0.521 189 Q N 0.648 120.457 119.800 0.016 0.000 2.112 189 Q HA 0.037 4.377 4.340 -0.001 0.000 0.206 189 Q C 0.918 176.928 176.000 0.016 0.000 0.987 189 Q CA 1.876 57.706 55.803 0.045 0.000 0.858 189 Q CB -0.107 28.740 28.738 0.182 0.000 0.905 189 Q HN 0.578 nan 8.270 nan 0.000 0.420 190 S N 0.533 116.253 115.700 0.033 0.000 2.566 190 S HA 0.301 4.770 4.470 -0.001 0.000 0.298 190 S C -0.934 173.606 174.600 -0.100 0.000 1.083 190 S CA -0.938 57.271 58.200 0.016 0.000 0.978 190 S CB 1.582 64.856 63.200 0.123 0.000 1.073 190 S HN 0.339 nan 8.310 nan 0.000 0.491 191 N N 1.723 120.382 118.700 -0.068 0.000 2.439 191 N HA 0.154 4.893 4.740 -0.001 0.000 0.249 191 N C 0.303 175.827 175.510 0.022 0.000 1.003 191 N CA -0.352 52.629 53.050 -0.116 0.000 0.942 191 N CB 0.110 38.567 38.487 -0.050 0.000 1.115 191 N HN 0.383 nan 8.380 nan 0.000 0.505 192 F N 2.185 122.159 119.950 0.041 0.000 2.087 192 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 192 F C 2.424 178.257 175.800 0.054 0.000 1.100 192 F CA 1.306 59.318 58.000 0.019 0.000 1.226 192 F CB -1.267 37.723 39.000 -0.017 0.000 0.983 192 F HN 0.428 nan 8.300 nan 0.000 0.479 193 T N -0.261 114.447 114.554 0.256 0.000 2.737 193 T HA -0.129 4.221 4.350 -0.001 0.000 0.265 193 T C 2.115 176.925 174.700 0.183 0.000 1.038 193 T CA 1.306 63.535 62.100 0.214 0.000 1.144 193 T CB -0.226 68.729 68.868 0.145 0.000 0.866 193 T HN 0.160 nan 8.240 nan 0.000 0.434 194 R N 0.935 121.507 120.500 0.120 0.000 2.081 194 R HA 0.044 4.384 4.340 -0.001 0.000 0.235 194 R C 2.810 179.177 176.300 0.112 0.000 1.131 194 R CA 1.224 57.376 56.100 0.086 0.000 0.960 194 R CB -0.459 29.868 30.300 0.046 0.000 0.856 194 R HN 0.355 nan 8.270 nan 0.000 0.436 195 A N 0.736 123.642 122.820 0.144 0.000 1.902 195 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 195 A C 1.922 179.652 177.584 0.243 0.000 1.181 195 A CA 1.131 53.264 52.037 0.161 0.000 0.623 195 A CB -0.596 18.498 19.000 0.158 0.000 0.818 195 A HN 0.325 nan 8.150 nan 0.000 0.443 196 F N 1.125 121.114 119.950 0.065 0.000 2.146 196 F HA -0.087 4.439 4.527 -0.001 0.000 0.298 196 F C 2.152 178.017 175.800 0.108 0.000 1.096 196 F CA 1.719 59.753 58.000 0.057 0.000 1.275 196 F CB -0.575 38.429 39.000 0.007 0.000 1.008 196 F HN 0.407 nan 8.300 nan 0.000 0.480 197 E N -0.279 119.945 120.200 0.040 0.000 2.110 197 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 197 E C 2.335 178.907 176.600 -0.046 0.000 0.988 197 E CA 1.152 57.503 56.400 -0.082 0.000 0.804 197 E CB -0.203 29.484 29.700 -0.022 0.000 0.745 197 E HN 0.417 nan 8.360 nan 0.000 0.458 198 R N -0.052 120.470 120.500 0.036 0.000 2.081 198 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 198 R C 2.351 178.677 176.300 0.044 0.000 1.131 198 R CA 1.400 57.523 56.100 0.038 0.000 0.960 198 R CB -0.434 29.909 30.300 0.071 0.000 0.856 198 R HN 0.279 nan 8.270 nan 0.000 0.436 199 Y N 1.733 122.017 120.300 -0.027 0.000 2.145 199 Y HA -0.201 4.348 4.550 -0.001 0.000 0.286 199 Y C 1.961 177.801 175.900 -0.101 0.000 1.145 199 Y CA 1.512 59.598 58.100 -0.023 0.000 1.148 199 Y CB -0.321 38.186 38.460 0.079 0.000 0.981 199 Y HN -0.067 nan 8.280 nan 0.000 0.507 200 L N 0.016 121.187 121.223 -0.087 0.000 2.083 200 L HA -0.234 4.105 4.340 -0.001 0.000 0.209 200 L C 2.802 179.540 176.870 -0.219 0.000 1.083 200 L CA 1.632 56.332 54.840 -0.233 0.000 0.752 200 L CB -0.921 40.931 42.059 -0.345 0.000 0.899 200 L HN 0.415 nan 8.230 nan 0.000 0.433 201 S N 0.089 115.692 115.700 -0.161 0.000 2.368 201 S HA -0.156 4.313 4.470 -0.001 0.000 0.224 201 S C 2.164 176.685 174.600 -0.133 0.000 1.029 201 S CA 0.843 58.968 58.200 -0.126 0.000 0.988 201 S CB -0.444 62.705 63.200 -0.084 0.000 0.838 201 S HN 0.342 nan 8.310 nan 0.000 0.462 202 A N 1.834 124.560 122.820 -0.156 0.000 1.930 202 A HA 0.176 4.495 4.320 -0.001 0.000 0.217 202 A C 2.337 179.798 177.584 -0.205 0.000 1.175 202 A CA 1.475 53.417 52.037 -0.159 0.000 0.627 202 A CB -0.610 18.300 19.000 -0.151 0.000 0.815 202 A HN 0.496 nan 8.150 nan 0.000 0.443 203 M N -0.458 118.947 119.600 -0.325 0.000 2.319 203 M HA -0.028 4.451 4.480 -0.001 0.000 0.265 203 M C 2.387 178.608 176.300 -0.131 0.000 1.068 203 M CA 1.276 56.399 55.300 -0.295 0.000 1.118 203 M CB -1.236 31.082 32.600 -0.470 0.000 1.395 203 M HN 0.500 nan 8.290 nan 0.000 0.435 204 A N -0.043 122.697 122.820 -0.135 0.000 1.930 204 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 204 A C 2.038 179.614 177.584 -0.013 0.000 1.175 204 A CA 1.198 53.189 52.037 -0.076 0.000 0.627 204 A CB -0.328 18.604 19.000 -0.112 0.000 0.815 204 A HN 0.368 nan 8.150 nan 0.000 0.443 205 E N 0.126 120.296 120.200 -0.051 0.000 2.072 205 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 205 E C 1.962 178.538 176.600 -0.040 0.000 0.985 205 E CA 0.921 57.295 56.400 -0.043 0.000 0.801 205 E CB -0.400 29.264 29.700 -0.060 0.000 0.750 205 E HN 0.727 nan 8.360 nan 0.000 0.452 206 I N 0.175 120.715 120.570 -0.051 0.000 2.226 206 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 206 I C 2.420 178.510 176.117 -0.045 0.000 1.100 206 I CA 1.037 62.298 61.300 -0.065 0.000 1.374 206 I CB -0.307 37.649 38.000 -0.074 0.000 1.057 206 I HN 0.058 nan 8.210 nan 0.000 0.413 207 Y N 1.996 122.231 120.300 -0.108 0.000 2.224 207 Y HA -0.243 4.306 4.550 -0.001 0.000 0.289 207 Y C 2.424 178.272 175.900 -0.087 0.000 1.146 207 Y CA 1.638 59.684 58.100 -0.090 0.000 1.182 207 Y CB -0.103 38.309 38.460 -0.080 0.000 0.983 207 Y HN 0.004 nan 8.280 nan 0.000 0.524 208 K N -1.091 119.359 120.400 0.082 0.000 2.147 208 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 208 K C 1.966 178.514 176.600 -0.087 0.000 1.049 208 K CA 1.118 57.414 56.287 0.015 0.000 0.936 208 K CB -0.406 32.098 32.500 0.006 0.000 0.722 208 K HN 0.397 nan 8.250 nan 0.000 0.446 209 G N 0.739 109.466 108.800 -0.121 0.000 3.042 209 G HA2 0.035 3.995 3.960 -0.001 0.000 0.212 209 G HA3 0.035 3.995 3.960 -0.001 0.000 0.212 209 G C -0.015 174.730 174.900 -0.257 0.000 1.166 209 G CA -0.359 44.638 45.100 -0.171 0.000 0.767 209 G HN 0.038 nan 8.290 nan 0.000 0.546 210 L N 1.786 122.832 121.223 -0.295 0.000 2.319 210 L HA 0.456 4.795 4.340 -0.001 0.000 0.280 210 L C -2.150 174.510 176.870 -0.351 0.000 1.099 210 L CA -1.923 52.695 54.840 -0.369 0.000 0.828 210 L CB 1.004 42.815 42.059 -0.414 0.000 1.150 210 L HN -0.172 nan 8.230 nan 0.000 0.442 211 P HA 0.038 nan 4.420 nan 0.000 0.268 211 P C -0.393 176.834 177.300 -0.123 0.000 1.208 211 P CA -0.001 62.932 63.100 -0.279 0.000 0.777 211 P CB 0.528 31.979 31.700 -0.415 0.000 0.875 212 D N 0.548 120.905 120.400 -0.073 0.000 2.363 212 D HA -0.085 4.555 4.640 -0.001 0.000 0.226 212 D C 0.597 176.915 176.300 0.029 0.000 1.020 212 D CA 0.888 54.866 54.000 -0.036 0.000 0.892 212 D CB -0.153 40.630 40.800 -0.028 0.000 0.900 212 D HN 0.465 nan 8.370 nan 0.000 0.531 213 D N -1.542 118.921 120.400 0.105 0.000 2.462 213 D HA -0.015 4.624 4.640 -0.001 0.000 0.221 213 D C 0.018 176.446 176.300 0.214 0.000 1.173 213 D CA -0.442 53.640 54.000 0.137 0.000 0.831 213 D CB -0.389 40.491 40.800 0.133 0.000 1.001 213 D HN -0.002 nan 8.370 nan 0.000 0.499 214 W N 0.970 122.196 121.300 -0.123 0.000 2.820 214 W HA 0.525 5.184 4.660 -0.001 0.000 0.350 214 W C 0.188 176.579 176.519 -0.213 0.000 1.116 214 W CA -0.750 56.498 57.345 -0.161 0.000 1.146 214 W CB 1.507 30.860 29.460 -0.180 0.000 1.433 214 W HN -0.422 nan 8.180 nan 0.000 0.561 215 K N 1.266 121.595 120.400 -0.119 0.000 2.328 215 K HA 0.659 4.979 4.320 -0.001 0.000 0.246 215 K C -1.753 174.582 176.600 -0.442 0.000 0.955 215 K CA -1.288 54.811 56.287 -0.313 0.000 0.817 215 K CB 2.420 34.621 32.500 -0.500 0.000 1.208 215 K HN 0.274 nan 8.250 nan 0.000 0.432 216 L N 2.962 123.976 121.223 -0.349 0.000 2.316 216 L HA 0.469 4.808 4.340 -0.001 0.000 0.280 216 L C -1.712 175.085 176.870 -0.123 0.000 1.006 216 L CA -0.266 54.450 54.840 -0.207 0.000 0.836 216 L CB 0.475 42.532 42.059 -0.004 0.000 1.221 216 L HN 0.360 nan 8.230 nan 0.000 0.418 217 F N 2.884 122.882 119.950 0.080 0.000 2.404 217 F HA 0.571 5.097 4.527 -0.001 0.000 0.354 217 F C 0.622 176.468 175.800 0.078 0.000 1.122 217 F CA -0.873 57.160 58.000 0.055 0.000 1.080 217 F CB 1.513 40.514 39.000 0.003 0.000 1.131 217 F HN 0.523 nan 8.300 nan 0.000 0.471 218 S N 1.586 117.466 115.700 0.299 0.000 2.489 218 S HA 0.523 4.992 4.470 -0.001 0.000 0.291 218 S C -0.622 174.102 174.600 0.208 0.000 1.151 218 S CA -0.895 57.461 58.200 0.260 0.000 1.082 218 S CB 1.884 65.260 63.200 0.292 0.000 1.019 218 S HN 0.694 nan 8.310 nan 0.000 0.492 219 E N 2.849 123.171 120.200 0.204 0.000 2.155 219 E HA 0.198 4.547 4.350 -0.001 0.000 0.264 219 E C -0.244 176.481 176.600 0.209 0.000 0.886 219 E CA -0.778 55.693 56.400 0.118 0.000 0.752 219 E CB 0.571 30.327 29.700 0.093 0.000 1.133 219 E HN 0.915 nan 8.360 nan 0.000 0.414 220 H N 3.300 122.469 119.070 0.165 0.000 2.551 220 H HA 0.482 5.037 4.556 -0.001 0.000 0.358 220 H C -0.849 174.556 175.328 0.128 0.000 1.151 220 H CA -0.667 55.446 56.048 0.108 0.000 1.374 220 H CB 1.347 31.137 29.762 0.047 0.000 1.473 220 H HN 0.385 nan 8.280 nan 0.000 0.574 221 K N 2.995 123.463 120.400 0.113 0.000 2.550 221 K HA 0.106 4.426 4.320 -0.001 0.000 0.252 221 K C 0.662 177.212 176.600 -0.083 0.000 0.943 221 K CA -0.632 55.564 56.287 -0.151 0.000 0.806 221 K CB 2.642 34.919 32.500 -0.372 0.000 1.289 221 K HN 0.713 nan 8.250 nan 0.000 0.435 222 M N 3.349 122.908 119.600 -0.069 0.000 2.117 222 M HA -0.110 4.369 4.480 -0.001 0.000 0.262 222 M C -0.463 175.920 176.300 0.138 0.000 1.065 222 M CA 1.695 57.030 55.300 0.059 0.000 1.114 222 M CB 0.116 32.837 32.600 0.203 0.000 1.361 222 M HN 0.619 nan 8.290 nan 0.000 0.408 223 Y N -2.572 117.684 120.300 -0.073 0.000 2.750 223 Y HA 0.497 5.046 4.550 -0.001 0.000 0.335 223 Y C -1.151 174.699 175.900 -0.084 0.000 1.252 223 Y CA -1.682 56.376 58.100 -0.070 0.000 1.064 223 Y CB 0.244 38.725 38.460 0.035 0.000 1.321 223 Y HN 0.312 nan 8.280 nan 0.000 0.451 224 E N 1.654 121.755 120.200 -0.163 0.000 7.504 224 E HA -0.112 4.237 4.350 -0.001 0.000 0.337 224 E C -2.391 174.116 176.600 -0.156 0.000 0.701 224 E CA 0.472 56.702 56.400 -0.284 0.000 1.302 224 E CB 0.176 29.803 29.700 -0.122 0.000 0.927 224 E HN 0.657 nan 8.360 nan 0.000 0.263 225 P HA -0.022 nan 4.420 nan 0.000 0.229 225 P C 0.253 177.043 177.300 -0.849 0.000 1.160 225 P CA 1.159 64.004 63.100 -0.424 0.000 0.777 225 P CB 0.205 31.817 31.700 -0.147 0.000 0.814 226 A N -0.220 122.271 122.820 -0.548 0.000 2.362 226 A HA 0.394 4.714 4.320 -0.001 0.000 0.276 226 A C -0.012 177.304 177.584 -0.446 0.000 1.153 226 A CA -0.360 51.428 52.037 -0.416 0.000 0.813 226 A CB -0.348 18.554 19.000 -0.163 0.000 1.081 226 A HN -0.034 nan 8.150 nan 0.000 0.507 227 F N 1.124 121.124 119.950 0.084 0.000 2.653 227 F HA 0.186 4.712 4.527 -0.001 0.000 0.304 227 F C 0.998 176.836 175.800 0.064 0.000 1.092 227 F CA 0.094 58.134 58.000 0.067 0.000 1.279 227 F CB -0.129 38.882 39.000 0.018 0.000 1.044 227 F HN 0.805 nan 8.300 nan 0.000 0.564 228 Y N 0.092 120.438 120.300 0.077 0.000 2.697 228 Y HA 0.360 4.910 4.550 -0.001 0.000 0.268 228 Y C 0.670 176.604 175.900 0.056 0.000 1.092 228 Y CA 0.302 58.435 58.100 0.055 0.000 1.304 228 Y CB 0.112 38.603 38.460 0.052 0.000 1.446 228 Y HN -0.144 nan 8.280 nan 0.000 0.491 229 S N -0.225 115.333 115.700 -0.236 0.000 2.569 229 S HA 0.754 5.223 4.470 -0.001 0.000 0.280 229 S C -1.049 173.464 174.600 -0.146 0.000 1.111 229 S CA -0.415 57.581 58.200 -0.339 0.000 0.887 229 S CB 2.183 65.197 63.200 -0.311 0.000 1.095 229 S HN 0.127 nan 8.310 nan 0.000 0.476 230 T N 2.127 116.561 114.554 -0.200 0.000 2.881 230 T HA 0.405 4.754 4.350 -0.001 0.000 0.290 230 T C 1.208 175.773 174.700 -0.225 0.000 1.000 230 T CA -0.617 61.384 62.100 -0.164 0.000 0.978 230 T CB 1.611 70.397 68.868 -0.137 0.000 0.997 230 T HN 0.522 nan 8.240 nan 0.000 0.443 231 V N 2.897 122.689 119.914 -0.203 0.000 2.231 231 V HA -0.097 4.022 4.120 -0.001 0.000 0.248 231 V C 1.308 177.151 176.094 -0.419 0.000 1.054 231 V CA 1.546 63.681 62.300 -0.276 0.000 1.015 231 V CB -0.276 31.415 31.823 -0.221 0.000 0.638 231 V HN 0.728 nan 8.190 nan 0.000 0.444 232 V N 3.103 122.800 119.914 -0.361 0.000 2.174 232 V HA 0.127 4.246 4.120 -0.001 0.000 0.259 232 V C 1.300 177.307 176.094 -0.145 0.000 1.261 232 V CA -0.001 62.127 62.300 -0.286 0.000 1.137 232 V CB 0.503 32.203 31.823 -0.206 0.000 1.290 232 V HN 0.638 nan 8.190 nan 0.000 0.486 233 Q N 2.164 121.839 119.800 -0.208 0.000 2.163 233 Q HA -0.020 4.319 4.340 -0.001 0.000 0.198 233 Q C 0.213 176.175 176.000 -0.063 0.000 0.954 233 Q CA 1.552 57.272 55.803 -0.139 0.000 0.851 233 Q CB 0.423 29.031 28.738 -0.216 0.000 0.928 233 Q HN 0.764 nan 8.270 nan 0.000 0.459 234 D N -1.895 118.419 120.400 -0.143 0.000 2.744 234 D HA 0.040 4.680 4.640 -0.001 0.000 0.304 234 D C 0.920 176.939 176.300 -0.469 0.000 1.179 234 D CA -0.530 53.342 54.000 -0.214 0.000 1.024 234 D CB -0.850 39.867 40.800 -0.138 0.000 1.453 234 D HN 0.166 nan 8.370 nan 0.000 0.529 235 W N 0.503 121.338 121.300 -0.775 0.000 2.465 235 W HA 0.113 4.772 4.660 -0.001 0.000 0.268 235 W C 1.029 177.424 176.519 -0.207 0.000 1.242 235 W CA 1.062 58.056 57.345 -0.586 0.000 1.248 235 W CB -1.340 27.900 29.460 -0.366 0.000 1.118 235 W HN 0.442 nan 8.180 nan 0.000 0.587 236 G N 1.482 109.674 108.800 -1.014 0.000 2.404 236 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.215 236 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.215 236 G C 1.509 176.159 174.900 -0.416 0.000 1.174 236 G CA 1.963 46.503 45.100 -0.933 0.000 0.780 236 G HN 0.289 nan 8.290 nan 0.000 0.537 237 T N 0.296 114.633 114.554 -0.362 0.000 2.821 237 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 237 T C 2.146 176.795 174.700 -0.086 0.000 1.046 237 T CA 1.187 63.110 62.100 -0.294 0.000 1.139 237 T CB -0.304 68.276 68.868 -0.480 0.000 0.871 237 T HN 0.436 nan 8.240 nan 0.000 0.454 238 N N -0.426 118.243 118.700 -0.053 0.000 2.166 238 N HA -0.157 4.582 4.740 -0.001 0.000 0.186 238 N C 1.816 177.408 175.510 0.136 0.000 1.019 238 N CA 0.887 54.003 53.050 0.110 0.000 0.856 238 N CB -0.123 38.498 38.487 0.223 0.000 0.993 238 N HN 0.403 nan 8.380 nan 0.000 0.426 239 Y N 1.536 121.831 120.300 -0.009 0.000 2.200 239 Y HA -0.089 4.460 4.550 -0.001 0.000 0.290 239 Y C 1.938 177.847 175.900 0.016 0.000 1.137 239 Y CA 1.244 59.350 58.100 0.010 0.000 1.163 239 Y CB -0.356 38.045 38.460 -0.099 0.000 0.988 239 Y HN 0.047 nan 8.280 nan 0.000 0.518 240 L N -0.351 120.844 121.223 -0.047 0.000 2.042 240 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 240 L C 2.404 179.254 176.870 -0.033 0.000 1.076 240 L CA 1.567 56.381 54.840 -0.045 0.000 0.749 240 L CB -0.625 41.519 42.059 0.142 0.000 0.893 240 L HN 0.298 nan 8.230 nan 0.000 0.432 241 I N -0.138 120.490 120.570 0.095 0.000 2.113 241 I HA -0.305 3.864 4.170 -0.001 0.000 0.238 241 I C 2.859 178.973 176.117 -0.005 0.000 1.070 241 I CA 1.345 62.721 61.300 0.126 0.000 1.332 241 I CB -0.572 37.598 38.000 0.285 0.000 1.044 241 I HN 0.198 nan 8.210 nan 0.000 0.402 242 A N 0.054 122.861 122.820 -0.021 0.000 1.883 242 A HA -0.313 4.006 4.320 -0.001 0.000 0.217 242 A C 2.237 179.731 177.584 -0.151 0.000 1.186 242 A CA 2.141 54.154 52.037 -0.039 0.000 0.624 242 A CB -0.728 18.285 19.000 0.021 0.000 0.822 242 A HN 0.436 nan 8.150 nan 0.000 0.444 243 Q N -0.503 119.096 119.800 -0.334 0.000 2.084 243 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 243 Q C 2.050 177.926 176.000 -0.207 0.000 0.978 243 Q CA 2.467 58.071 55.803 -0.331 0.000 0.844 243 Q CB -0.798 27.588 28.738 -0.587 0.000 0.898 243 Q HN 0.609 nan 8.270 nan 0.000 0.426 244 T N 0.451 114.888 114.554 -0.195 0.000 2.812 244 T HA -0.021 4.328 4.350 -0.001 0.000 0.264 244 T C 1.678 176.237 174.700 -0.235 0.000 1.042 244 T CA 1.113 63.107 62.100 -0.176 0.000 1.140 244 T CB -0.135 68.638 68.868 -0.157 0.000 0.870 244 T HN 0.202 nan 8.240 nan 0.000 0.445 245 L N 0.102 121.163 121.223 -0.270 0.000 2.072 245 L HA 0.246 4.585 4.340 -0.001 0.000 0.205 245 L C 1.480 177.848 176.870 -0.837 0.000 1.079 245 L CA 0.766 55.310 54.840 -0.493 0.000 0.752 245 L CB -0.552 41.302 42.059 -0.342 0.000 0.906 245 L HN 0.495 nan 8.230 nan 0.000 0.436 246 G N -2.449 106.078 108.800 -0.455 0.000 2.361 246 G HA2 0.014 3.974 3.960 -0.001 0.000 0.305 246 G HA3 0.014 3.974 3.960 -0.001 0.000 0.305 246 G C -2.649 172.275 174.900 0.039 0.000 1.367 246 G CA -0.625 44.310 45.100 -0.274 0.000 0.951 246 G HN -0.273 nan 8.290 nan 0.000 0.615 247 P HA -0.008 nan 4.420 nan 0.000 0.218 247 P C 1.532 178.943 177.300 0.185 0.000 1.148 247 P CA 1.302 64.489 63.100 0.144 0.000 0.822 247 P CB 0.098 31.873 31.700 0.124 0.000 0.784 248 K N -1.017 119.548 120.400 0.275 0.000 2.432 248 K HA 0.160 4.480 4.320 -0.001 0.000 0.196 248 K C 0.758 177.471 176.600 0.189 0.000 1.038 248 K CA 0.050 56.439 56.287 0.171 0.000 0.986 248 K CB -0.015 32.479 32.500 -0.010 0.000 0.782 248 K HN 0.074 nan 8.250 nan 0.000 0.485 249 A N 1.452 124.453 122.820 0.302 0.000 2.274 249 A HA 0.351 4.670 4.320 -0.001 0.000 0.309 249 A C -0.567 177.139 177.584 0.204 0.000 1.226 249 A CA -0.440 51.737 52.037 0.234 0.000 0.853 249 A CB 0.565 19.696 19.000 0.219 0.000 1.146 249 A HN 0.105 nan 8.150 nan 0.000 0.518 250 Q N 0.385 120.351 119.800 0.277 0.000 2.544 250 Q HA 0.470 4.809 4.340 -0.001 0.000 0.291 250 Q C -1.366 174.818 176.000 0.305 0.000 1.068 250 Q CA -0.835 55.148 55.803 0.301 0.000 0.785 250 Q CB 2.194 31.146 28.738 0.357 0.000 1.481 250 Q HN 0.773 nan 8.270 nan 0.000 0.430 251 C N 1.367 120.784 119.300 0.195 0.000 2.350 251 C HA 0.615 5.074 4.460 -0.001 0.000 0.348 251 C C -0.164 174.788 174.990 -0.062 0.000 1.260 251 C CA -0.659 58.447 59.018 0.146 0.000 1.966 251 C CB -0.314 27.557 27.740 0.219 0.000 2.380 251 C HN 0.638 nan 8.230 nan 0.000 0.535 252 L N 3.344 124.503 121.223 -0.108 0.000 2.296 252 L HA 0.660 4.999 4.340 -0.001 0.000 0.286 252 L C -0.785 175.877 176.870 -0.346 0.000 1.023 252 L CA -0.140 54.481 54.840 -0.365 0.000 0.812 252 L CB 1.070 42.882 42.059 -0.411 0.000 1.223 252 L HN 0.552 nan 8.230 nan 0.000 0.421 253 V N 4.425 124.088 119.914 -0.418 0.000 2.318 253 V HA 0.257 4.377 4.120 -0.001 0.000 0.271 253 V C -0.241 175.715 176.094 -0.230 0.000 1.030 253 V CA -0.576 61.568 62.300 -0.260 0.000 0.844 253 V CB 1.084 32.813 31.823 -0.157 0.000 1.015 253 V HN 0.660 nan 8.190 nan 0.000 0.460 254 D N 4.255 124.456 120.400 -0.332 0.000 2.280 254 D HA 0.263 4.903 4.640 -0.001 0.000 0.243 254 D C 1.108 177.336 176.300 -0.121 0.000 1.129 254 D CA -0.332 53.448 54.000 -0.366 0.000 0.848 254 D CB 1.791 41.988 40.800 -1.006 0.000 1.107 254 D HN 0.383 nan 8.370 nan 0.000 0.471 255 L N 3.025 124.247 121.223 -0.001 0.000 2.127 255 L HA -0.102 4.238 4.340 -0.001 0.000 0.211 255 L C 2.143 179.135 176.870 0.203 0.000 1.089 255 L CA 1.395 56.311 54.840 0.127 0.000 0.757 255 L CB -0.284 41.835 42.059 0.099 0.000 0.899 255 L HN 0.483 nan 8.230 nan 0.000 0.434 256 G N -2.383 106.471 108.800 0.089 0.000 3.088 256 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.212 256 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.212 256 G C 0.819 175.855 174.900 0.227 0.000 1.173 256 G CA -0.241 44.950 45.100 0.151 0.000 0.779 256 G HN 0.523 nan 8.290 nan 0.000 0.540 257 H N -0.370 118.670 119.070 -0.050 0.000 2.537 257 H HA 0.196 4.751 4.556 -0.001 0.000 0.295 257 H C -0.147 174.962 175.328 -0.365 0.000 1.054 257 H CA -0.462 55.428 56.048 -0.264 0.000 1.156 257 H CB 0.393 29.918 29.762 -0.396 0.000 1.468 257 H HN 0.393 nan 8.280 nan 0.000 0.551 258 H N -0.386 118.808 119.070 0.206 0.000 2.670 258 H HA 0.476 5.031 4.556 -0.001 0.000 0.361 258 H C -0.104 175.328 175.328 0.173 0.000 1.169 258 H CA -0.603 55.560 56.048 0.192 0.000 1.198 258 H CB 1.101 30.960 29.762 0.162 0.000 1.700 258 H HN 0.254 nan 8.280 nan 0.000 0.542 259 A N 2.224 125.207 122.820 0.272 0.000 2.507 259 A HA 0.222 4.542 4.320 -0.001 0.000 0.235 259 A C -2.147 175.543 177.584 0.177 0.000 1.070 259 A CA -0.955 51.204 52.037 0.204 0.000 0.768 259 A CB -0.596 18.491 19.000 0.145 0.000 1.011 259 A HN 0.538 nan 8.150 nan 0.000 0.502 260 P HA 0.070 nan 4.420 nan 0.000 0.264 260 P C 0.040 177.389 177.300 0.082 0.000 1.183 260 P CA 0.579 63.745 63.100 0.111 0.000 0.763 260 P CB 0.232 31.990 31.700 0.097 0.000 0.807 261 N N -1.290 117.448 118.700 0.063 0.000 2.936 261 N HA -0.136 4.603 4.740 -0.001 0.000 0.236 261 N C -0.386 175.144 175.510 0.033 0.000 0.930 261 N CA 1.176 54.251 53.050 0.041 0.000 0.966 261 N CB -2.324 36.185 38.487 0.036 0.000 1.090 261 N HN 0.385 nan 8.380 nan 0.000 0.592 262 T N 1.593 116.178 114.554 0.052 0.000 2.946 262 T HA -0.032 4.318 4.350 -0.001 0.000 0.311 262 T C 0.803 175.482 174.700 -0.034 0.000 1.063 262 T CA -0.025 62.094 62.100 0.032 0.000 1.139 262 T CB 0.564 69.481 68.868 0.082 0.000 0.994 262 T HN 0.152 nan 8.240 nan 0.000 0.547 263 N N 3.013 121.677 118.700 -0.060 0.000 2.602 263 N HA 0.131 4.871 4.740 -0.001 0.000 0.238 263 N C 1.005 176.409 175.510 -0.178 0.000 1.084 263 N CA -0.201 52.788 53.050 -0.101 0.000 0.952 263 N CB 0.034 38.470 38.487 -0.085 0.000 1.244 263 N HN 0.555 nan 8.380 nan 0.000 0.512 264 I N 1.727 122.166 120.570 -0.218 0.000 2.353 264 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 264 I C 2.190 178.159 176.117 -0.247 0.000 1.119 264 I CA 0.695 61.801 61.300 -0.323 0.000 1.417 264 I CB 0.001 37.780 38.000 -0.368 0.000 1.078 264 I HN 0.521 nan 8.210 nan 0.000 0.421 265 E N 1.499 121.585 120.200 -0.189 0.000 2.204 265 E HA -0.293 4.056 4.350 -0.001 0.000 0.195 265 E C 2.073 178.565 176.600 -0.181 0.000 0.990 265 E CA 1.327 57.627 56.400 -0.165 0.000 0.821 265 E CB -0.593 29.004 29.700 -0.172 0.000 0.750 265 E HN 0.572 nan 8.360 nan 0.000 0.477 266 M N 0.777 120.252 119.600 -0.209 0.000 2.156 266 M HA -0.038 4.442 4.480 -0.001 0.000 0.264 266 M C 2.290 178.368 176.300 -0.369 0.000 1.067 266 M CA 1.177 56.340 55.300 -0.228 0.000 1.131 266 M CB -0.030 32.456 32.600 -0.191 0.000 1.368 266 M HN 0.006 nan 8.290 nan 0.000 0.416 267 I N -0.303 119.961 120.570 -0.511 0.000 2.208 267 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 267 I C 2.227 178.022 176.117 -0.536 0.000 1.097 267 I CA 1.090 61.866 61.300 -0.872 0.000 1.363 267 I CB -0.495 36.998 38.000 -0.845 0.000 1.051 267 I HN 0.154 nan 8.210 nan 0.000 0.413 268 V N 1.041 120.788 119.914 -0.278 0.000 2.287 268 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 268 V C 2.715 178.749 176.094 -0.101 0.000 1.053 268 V CA 2.141 64.378 62.300 -0.104 0.000 1.027 268 V CB -0.996 30.864 31.823 0.062 0.000 0.646 268 V HN 0.521 nan 8.190 nan 0.000 0.447 269 A N -0.298 122.440 122.820 -0.138 0.000 1.902 269 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 269 A C 2.359 179.890 177.584 -0.088 0.000 1.181 269 A CA 1.441 53.412 52.037 -0.110 0.000 0.623 269 A CB -0.441 18.492 19.000 -0.112 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.443 270 R N -0.350 120.050 120.500 -0.167 0.000 2.073 270 R HA -0.053 4.287 4.340 -0.001 0.000 0.234 270 R C 2.110 178.456 176.300 0.077 0.000 1.134 270 R CA 1.324 57.377 56.100 -0.077 0.000 0.952 270 R CB -1.039 29.053 30.300 -0.348 0.000 0.850 270 R HN 0.581 nan 8.270 nan 0.000 0.433 271 L N 0.402 121.614 121.223 -0.018 0.000 2.083 271 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 271 L C 2.491 179.463 176.870 0.170 0.000 1.083 271 L CA 1.122 56.048 54.840 0.143 0.000 0.752 271 L CB -0.413 41.696 42.059 0.084 0.000 0.899 271 L HN 0.116 nan 8.230 nan 0.000 0.433 272 I N -0.592 120.023 120.570 0.076 0.000 2.179 272 I HA -0.331 3.838 4.170 -0.001 0.000 0.242 272 I C 2.712 178.836 176.117 0.012 0.000 1.088 272 I CA 1.320 62.634 61.300 0.023 0.000 1.357 272 I CB -0.304 37.610 38.000 -0.144 0.000 1.051 272 I HN 0.377 nan 8.210 nan 0.000 0.409 273 Q N 0.806 120.625 119.800 0.031 0.000 2.135 273 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 273 Q C 1.492 177.402 176.000 -0.150 0.000 0.981 273 Q CA 1.813 57.584 55.803 -0.054 0.000 0.856 273 Q CB 0.017 28.750 28.738 -0.007 0.000 0.902 273 Q HN 0.484 nan 8.270 nan 0.000 0.425 274 F N -0.879 119.100 119.950 0.047 0.000 2.639 274 F HA 0.313 4.839 4.527 -0.001 0.000 0.300 274 F C 1.208 177.111 175.800 0.172 0.000 1.109 274 F CA 0.255 58.324 58.000 0.114 0.000 1.335 274 F CB 0.856 39.927 39.000 0.117 0.000 1.014 274 F HN 0.188 nan 8.300 nan 0.000 0.537 275 G N 0.800 109.737 108.800 0.228 0.000 2.225 275 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.267 275 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.267 275 G C 0.977 176.025 174.900 0.247 0.000 1.024 275 G CA 0.190 45.415 45.100 0.208 0.000 0.784 275 G HN 0.229 nan 8.290 nan 0.000 0.507 276 K N -0.822 119.751 120.400 0.290 0.000 2.537 276 K HA 0.285 4.604 4.320 -0.001 0.000 0.206 276 K C 0.565 177.280 176.600 0.192 0.000 1.041 276 K CA -0.553 55.895 56.287 0.268 0.000 1.090 276 K CB 0.576 33.295 32.500 0.365 0.000 0.833 276 K HN 0.403 nan 8.250 nan 0.000 0.493 277 L N 1.147 122.458 121.223 0.148 0.000 2.356 277 L HA 0.281 4.620 4.340 -0.001 0.000 0.282 277 L C 1.150 177.972 176.870 -0.081 0.000 1.132 277 L CA 0.190 55.034 54.840 0.006 0.000 0.923 277 L CB 0.585 42.678 42.059 0.056 0.000 1.278 277 L HN 0.214 nan 8.230 nan 0.000 0.436 278 G N 2.922 111.617 108.800 -0.175 0.000 2.394 278 G HA2 0.383 4.343 3.960 -0.001 0.000 0.215 278 G HA3 0.383 4.343 3.960 -0.001 0.000 0.215 278 G C 0.591 175.039 174.900 -0.753 0.000 1.165 278 G CA 0.694 45.591 45.100 -0.338 0.000 0.784 278 G HN 0.993 nan 8.290 nan 0.000 0.535 279 G N -1.968 106.332 108.800 -0.834 0.000 2.325 279 G HA2 0.456 4.415 3.960 -0.001 0.000 0.295 279 G HA3 0.456 4.415 3.960 -0.001 0.000 0.295 279 G C -1.785 172.581 174.900 -0.890 0.000 1.274 279 G CA -1.024 43.602 45.100 -0.791 0.000 0.857 279 G HN 0.111 nan 8.290 nan 0.000 0.499 280 F N -0.607 119.094 119.950 -0.416 0.000 2.611 280 F HA 0.648 5.174 4.527 -0.001 0.000 0.324 280 F C 0.103 175.719 175.800 -0.307 0.000 1.061 280 F CA -0.663 57.037 58.000 -0.500 0.000 0.954 280 F CB 2.455 40.874 39.000 -0.968 0.000 1.301 280 F HN 0.388 nan 8.300 nan 0.000 0.482 281 H N 1.355 120.261 119.070 -0.274 0.000 2.792 281 H HA 0.345 4.900 4.556 -0.001 0.000 0.298 281 H C -1.265 173.945 175.328 -0.197 0.000 1.042 281 H CA -0.728 55.225 56.048 -0.159 0.000 1.300 281 H CB 0.971 30.638 29.762 -0.158 0.000 1.431 281 H HN 0.327 nan 8.280 nan 0.000 0.496 282 F N 3.771 123.829 119.950 0.180 0.000 2.399 282 F HA 0.227 4.753 4.527 -0.001 0.000 0.342 282 F C 0.888 176.729 175.800 0.068 0.000 1.106 282 F CA -0.060 58.009 58.000 0.115 0.000 1.196 282 F CB 0.739 39.814 39.000 0.125 0.000 1.163 282 F HN 0.641 nan 8.300 nan 0.000 0.547 283 N N 0.037 118.900 118.700 0.272 0.000 3.717 283 N HA 0.186 4.925 4.740 -0.001 0.000 0.239 283 N C -2.285 173.312 175.510 0.146 0.000 1.388 283 N CA -0.911 52.236 53.050 0.161 0.000 0.828 283 N CB 1.772 40.312 38.487 0.088 0.000 1.468 283 N HN 0.377 nan 8.380 nan 0.000 0.445 284 D N -0.504 119.962 120.400 0.109 0.000 2.493 284 D HA 0.729 5.368 4.640 -0.001 0.000 0.239 284 D C -1.227 175.122 176.300 0.081 0.000 1.049 284 D CA 0.080 54.139 54.000 0.097 0.000 1.008 284 D CB 2.322 43.176 40.800 0.090 0.000 1.398 284 D HN 0.731 nan 8.370 nan 0.000 0.513 285 S N -0.086 115.654 115.700 0.068 0.000 2.595 285 S HA 0.395 4.864 4.470 -0.001 0.000 0.270 285 S C -0.052 174.548 174.600 0.001 0.000 1.145 285 S CA -0.789 57.447 58.200 0.061 0.000 0.825 285 S CB 2.397 65.650 63.200 0.089 0.000 1.107 285 S HN 0.475 nan 8.310 nan 0.000 0.461 286 K N -0.774 119.586 120.400 -0.067 0.000 2.493 286 K HA 0.325 4.644 4.320 -0.001 0.000 0.201 286 K C 0.297 176.639 176.600 -0.431 0.000 1.355 286 K CA 0.022 56.123 56.287 -0.311 0.000 0.953 286 K CB 0.098 32.271 32.500 -0.545 0.000 1.316 286 K HN 0.668 nan 8.250 nan 0.000 0.522 287 Y N -0.492 119.869 120.300 0.101 0.000 2.447 287 Y HA 0.384 4.934 4.550 -0.001 0.000 0.286 287 Y C 1.513 177.510 175.900 0.161 0.000 1.153 287 Y CA 0.451 58.621 58.100 0.117 0.000 1.241 287 Y CB 0.323 38.848 38.460 0.108 0.000 1.284 287 Y HN 0.134 nan 8.280 nan 0.000 0.520 288 G N -1.013 107.984 108.800 0.328 0.000 3.310 288 G HA2 0.159 4.118 3.960 -0.001 0.000 0.174 288 G HA3 0.159 4.118 3.960 -0.001 0.000 0.174 288 G C -1.274 173.720 174.900 0.156 0.000 1.097 288 G CA -0.258 45.011 45.100 0.283 0.000 0.795 288 G HN -0.040 nan 8.290 nan 0.000 0.670 289 D N 0.720 121.154 120.400 0.056 0.000 2.741 289 D HA 0.243 4.883 4.640 -0.001 0.000 0.233 289 D C 0.484 176.823 176.300 0.065 0.000 1.160 289 D CA -0.341 53.685 54.000 0.044 0.000 1.003 289 D CB 0.005 40.767 40.800 -0.063 0.000 1.064 289 D HN 0.140 nan 8.370 nan 0.000 0.503 290 D N 0.956 121.419 120.400 0.106 0.000 2.264 290 D HA -0.129 4.510 4.640 -0.001 0.000 0.208 290 D C 0.247 176.589 176.300 0.071 0.000 0.966 290 D CA 0.483 54.550 54.000 0.112 0.000 0.864 290 D CB -0.009 40.882 40.800 0.151 0.000 0.933 290 D HN 0.425 nan 8.370 nan 0.000 0.499 291 D N 0.003 120.434 120.400 0.052 0.000 2.723 291 D HA -0.176 4.464 4.640 -0.001 0.000 0.236 291 D C -0.003 176.297 176.300 -0.000 0.000 1.138 291 D CA 0.378 54.389 54.000 0.018 0.000 0.676 291 D CB -1.246 39.551 40.800 -0.005 0.000 1.069 291 D HN 0.322 nan 8.370 nan 0.000 0.430 292 L N 0.069 121.317 121.223 0.042 0.000 2.454 292 L HA 0.234 4.573 4.340 -0.001 0.000 0.256 292 L C 0.959 177.873 176.870 0.072 0.000 1.136 292 L CA -0.731 54.142 54.840 0.054 0.000 0.804 292 L CB 0.444 42.549 42.059 0.077 0.000 1.181 292 L HN -0.188 nan 8.230 nan 0.000 0.469 293 D N 1.266 121.727 120.400 0.102 0.000 2.533 293 D HA 0.185 4.824 4.640 -0.001 0.000 0.236 293 D C 0.162 176.521 176.300 0.100 0.000 1.137 293 D CA 0.243 54.315 54.000 0.120 0.000 0.867 293 D CB 0.612 41.479 40.800 0.111 0.000 1.170 293 D HN 0.580 nan 8.370 nan 0.000 0.474 294 A N 2.048 124.932 122.820 0.107 0.000 2.546 294 A HA 0.438 4.757 4.320 -0.001 0.000 0.243 294 A C 1.668 179.300 177.584 0.081 0.000 1.063 294 A CA 0.429 52.532 52.037 0.110 0.000 0.757 294 A CB -0.273 18.793 19.000 0.110 0.000 0.991 294 A HN 0.982 nan 8.150 nan 0.000 0.503 295 G N 0.930 109.787 108.800 0.095 0.000 2.184 295 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.264 295 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.264 295 G C 1.160 176.108 174.900 0.079 0.000 0.975 295 G CA 1.179 46.334 45.100 0.091 0.000 0.642 295 G HN 2.047 nan 8.290 nan 0.000 0.536 296 A N -0.521 122.342 122.820 0.071 0.000 2.066 296 A HA 0.435 4.755 4.320 -0.001 0.000 0.218 296 A C 2.175 179.794 177.584 0.057 0.000 1.157 296 A CA 1.889 53.962 52.037 0.060 0.000 0.670 296 A CB -0.152 18.885 19.000 0.062 0.000 0.804 296 A HN 0.542 nan 8.150 nan 0.000 0.453 297 I N -1.726 118.880 120.570 0.060 0.000 3.443 297 I HA 0.154 4.324 4.170 -0.001 0.000 0.277 297 I C 0.314 176.462 176.117 0.051 0.000 1.169 297 I CA 0.707 62.033 61.300 0.044 0.000 1.419 297 I CB -0.657 37.359 38.000 0.027 0.000 1.331 297 I HN 0.211 nan 8.210 nan 0.000 0.458 298 E N 2.473 122.715 120.200 0.070 0.000 3.108 298 E HA 0.193 4.542 4.350 -0.001 0.000 0.228 298 E C -1.796 174.879 176.600 0.125 0.000 1.176 298 E CA -1.384 55.068 56.400 0.086 0.000 0.881 298 E CB 1.720 31.458 29.700 0.063 0.000 1.354 298 E HN 0.131 nan 8.360 nan 0.000 0.400 299 P HA -0.202 nan 4.420 nan 0.000 0.220 299 P C 1.190 178.670 177.300 0.299 0.000 1.148 299 P CA 0.912 64.153 63.100 0.235 0.000 0.803 299 P CB 0.247 32.103 31.700 0.260 0.000 0.782 300 Y N 1.960 122.257 120.300 -0.005 0.000 2.200 300 Y HA -0.103 4.447 4.550 -0.001 0.000 0.290 300 Y C 2.870 178.735 175.900 -0.058 0.000 1.137 300 Y CA 1.139 59.053 58.100 -0.310 0.000 1.163 300 Y CB -0.902 37.297 38.460 -0.434 0.000 0.988 300 Y HN -0.211 nan 8.280 nan 0.000 0.518 301 R N -0.318 120.176 120.500 -0.010 0.000 2.091 301 R HA -0.198 4.141 4.340 -0.001 0.000 0.238 301 R C 2.181 178.462 176.300 -0.031 0.000 1.136 301 R CA 1.755 57.808 56.100 -0.078 0.000 0.959 301 R CB -0.671 29.621 30.300 -0.015 0.000 0.856 301 R HN 0.409 nan 8.270 nan 0.000 0.437 302 L N 0.426 121.698 121.223 0.082 0.000 2.046 302 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 302 L C 2.055 179.042 176.870 0.195 0.000 1.077 302 L CA 1.719 56.648 54.840 0.149 0.000 0.747 302 L CB -0.777 41.397 42.059 0.191 0.000 0.896 302 L HN 0.270 nan 8.230 nan 0.000 0.432 303 F N -0.337 119.651 119.950 0.064 0.000 2.126 303 F HA -0.225 4.301 4.527 -0.001 0.000 0.299 303 F C 2.013 177.790 175.800 -0.038 0.000 1.096 303 F CA 1.777 59.823 58.000 0.075 0.000 1.255 303 F CB -0.412 38.659 39.000 0.118 0.000 0.997 303 F HN 0.049 nan 8.300 nan 0.000 0.479 304 L N -0.578 120.426 121.223 -0.366 0.000 2.191 304 L HA -0.186 4.154 4.340 -0.001 0.000 0.212 304 L C 2.327 178.993 176.870 -0.340 0.000 1.103 304 L CA 0.672 55.219 54.840 -0.488 0.000 0.769 304 L CB -0.749 41.046 42.059 -0.440 0.000 0.908 304 L HN 0.087 nan 8.230 nan 0.000 0.438 305 V N -0.825 118.947 119.914 -0.237 0.000 2.323 305 V HA -0.238 3.881 4.120 -0.001 0.000 0.244 305 V C 2.176 178.096 176.094 -0.291 0.000 1.041 305 V CA 1.685 63.841 62.300 -0.240 0.000 1.025 305 V CB -0.490 31.176 31.823 -0.262 0.000 0.656 305 V HN 0.214 nan 8.190 nan 0.000 0.451 306 F N 1.000 120.820 119.950 -0.216 0.000 2.269 306 F HA -0.128 4.398 4.527 -0.001 0.000 0.301 306 F C 2.260 177.932 175.800 -0.212 0.000 1.082 306 F CA 1.667 59.565 58.000 -0.169 0.000 1.360 306 F CB -0.636 38.262 39.000 -0.170 0.000 1.041 306 F HN 0.249 nan 8.300 nan 0.000 0.512 307 N N 0.276 118.810 118.700 -0.277 0.000 2.166 307 N HA -0.178 4.561 4.740 -0.001 0.000 0.186 307 N C 1.720 177.139 175.510 -0.152 0.000 1.019 307 N CA 1.410 54.258 53.050 -0.337 0.000 0.856 307 N CB -0.084 38.054 38.487 -0.582 0.000 0.993 307 N HN 0.080 nan 8.380 nan 0.000 0.426 308 E N 0.239 120.360 120.200 -0.131 0.000 2.107 308 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 308 E C 2.088 178.683 176.600 -0.008 0.000 0.982 308 E CA 0.443 56.797 56.400 -0.077 0.000 0.809 308 E CB -0.238 29.416 29.700 -0.077 0.000 0.756 308 E HN 0.475 nan 8.360 nan 0.000 0.459 309 L N 0.330 121.603 121.223 0.082 0.000 2.017 309 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 309 L C 2.509 179.526 176.870 0.245 0.000 1.073 309 L CA 0.890 55.899 54.840 0.283 0.000 0.745 309 L CB -0.600 41.682 42.059 0.372 0.000 0.894 309 L HN -0.014 nan 8.230 nan 0.000 0.432 310 V N -0.007 120.020 119.914 0.188 0.000 2.515 310 V HA -0.277 3.842 4.120 -0.001 0.000 0.250 310 V C 2.141 178.267 176.094 0.053 0.000 1.058 310 V CA 1.978 64.365 62.300 0.146 0.000 1.064 310 V CB -0.469 31.409 31.823 0.092 0.000 0.675 310 V HN 0.470 nan 8.190 nan 0.000 0.461 311 D N 0.477 120.877 120.400 0.000 0.000 2.144 311 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 311 D C 2.144 178.405 176.300 -0.066 0.000 0.984 311 D CA 1.415 55.394 54.000 -0.036 0.000 0.834 311 D CB -0.111 40.654 40.800 -0.058 0.000 0.955 311 D HN 0.357 nan 8.370 nan 0.000 0.465 312 A N 0.459 123.207 122.820 -0.120 0.000 1.908 312 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 312 A C 2.172 179.667 177.584 -0.148 0.000 1.181 312 A CA 1.969 53.860 52.037 -0.244 0.000 0.627 312 A CB -0.851 17.784 19.000 -0.609 0.000 0.818 312 A HN 0.464 nan 8.150 nan 0.000 0.445 313 E N -0.178 120.001 120.200 -0.036 0.000 2.051 313 E HA -0.117 4.233 4.350 -0.001 0.000 0.192 313 E C 2.105 178.710 176.600 0.009 0.000 0.991 313 E CA 1.060 57.480 56.400 0.032 0.000 0.799 313 E CB -0.290 29.476 29.700 0.109 0.000 0.748 313 E HN 0.518 nan 8.360 nan 0.000 0.449 314 A N 0.922 123.744 122.820 0.003 0.000 2.019 314 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 314 A C 2.121 179.693 177.584 -0.019 0.000 1.164 314 A CA 1.236 53.271 52.037 -0.004 0.000 0.644 314 A CB -0.378 18.620 19.000 -0.005 0.000 0.805 314 A HN 0.161 nan 8.150 nan 0.000 0.449 315 R N -1.833 118.643 120.500 -0.040 0.000 2.299 315 R HA 0.167 4.506 4.340 -0.001 0.000 0.197 315 R C 1.243 177.517 176.300 -0.044 0.000 0.971 315 R CA 0.669 56.740 56.100 -0.049 0.000 1.030 315 R CB 0.003 30.259 30.300 -0.074 0.000 0.932 315 R HN 0.692 nan 8.270 nan 0.000 0.477 316 G N -0.058 108.722 108.800 -0.034 0.000 2.163 316 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.213 316 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.213 316 G C 0.003 174.889 174.900 -0.023 0.000 0.991 316 G CA -0.188 44.900 45.100 -0.020 0.000 0.653 316 G HN 0.103 nan 8.290 nan 0.000 0.518 317 V N 2.575 122.456 119.914 -0.055 0.000 2.458 317 V HA 0.273 4.392 4.120 -0.001 0.000 0.287 317 V C 0.630 176.736 176.094 0.019 0.000 1.009 317 V CA 0.043 62.307 62.300 -0.059 0.000 1.091 317 V CB 0.975 32.679 31.823 -0.197 0.000 0.960 317 V HN 0.224 nan 8.190 nan 0.000 0.476 318 K N 3.420 123.850 120.400 0.049 0.000 2.143 318 K HA 0.458 4.777 4.320 -0.001 0.000 0.272 318 K C 1.162 177.839 176.600 0.128 0.000 1.001 318 K CA 0.284 56.621 56.287 0.083 0.000 0.915 318 K CB 1.267 33.808 32.500 0.069 0.000 1.047 318 K HN 0.994 nan 8.250 nan 0.000 0.458 319 G N 2.193 111.078 108.800 0.141 0.000 2.203 319 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.263 319 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.263 319 G C -0.145 174.857 174.900 0.169 0.000 1.012 319 G CA 0.100 45.324 45.100 0.207 0.000 0.749 319 G HN 0.516 nan 8.290 nan 0.000 0.512 320 F N 1.795 121.654 119.950 -0.151 0.000 2.494 320 F HA 0.535 5.061 4.527 -0.001 0.000 0.369 320 F C 0.613 176.155 175.800 -0.430 0.000 1.098 320 F CA -0.775 57.126 58.000 -0.166 0.000 1.154 320 F CB 0.153 39.096 39.000 -0.095 0.000 1.103 320 F HN 0.243 nan 8.300 nan 0.000 0.549 321 H N 5.735 124.574 119.070 -0.385 0.000 2.490 321 H HA 0.252 4.807 4.556 -0.001 0.000 0.230 321 H C -2.258 172.810 175.328 -0.433 0.000 1.417 321 H CA -1.349 54.486 56.048 -0.354 0.000 1.449 321 H CB 0.090 29.782 29.762 -0.117 0.000 1.649 321 H HN 0.441 nan 8.280 nan 0.000 0.519 322 P HA 0.204 nan 4.420 nan 0.000 0.272 322 P C -0.037 176.955 177.300 -0.513 0.000 1.223 322 P CA -0.438 62.358 63.100 -0.507 0.000 0.784 322 P CB 1.122 32.519 31.700 -0.506 0.000 0.923 323 A N 2.947 125.522 122.820 -0.409 0.000 2.440 323 A HA 0.265 4.584 4.320 -0.001 0.000 0.251 323 A C 0.034 177.430 177.584 -0.314 0.000 1.089 323 A CA -0.189 51.672 52.037 -0.293 0.000 0.779 323 A CB -0.236 18.657 19.000 -0.180 0.000 1.022 323 A HN 0.610 nan 8.150 nan 0.000 0.492 324 H N 1.882 121.025 119.070 0.121 0.000 2.587 324 H HA 0.574 5.129 4.556 -0.001 0.000 0.325 324 H C -0.947 174.533 175.328 0.253 0.000 1.012 324 H CA -0.196 56.024 56.048 0.287 0.000 1.213 324 H CB 1.410 31.344 29.762 0.286 0.000 1.431 324 H HN 0.674 nan 8.280 nan 0.000 0.492 325 M N 3.005 122.858 119.600 0.421 0.000 2.484 325 M HA 0.407 4.886 4.480 -0.001 0.000 0.289 325 M C -0.412 176.058 176.300 0.284 0.000 1.206 325 M CA -0.295 55.177 55.300 0.287 0.000 0.892 325 M CB 2.737 35.474 32.600 0.228 0.000 1.712 325 M HN 0.312 nan 8.290 nan 0.000 0.462 326 I N 1.432 122.093 120.570 0.151 0.000 2.365 326 I HA 0.330 4.499 4.170 -0.001 0.000 0.291 326 I C -0.621 175.451 176.117 -0.074 0.000 1.004 326 I CA -0.138 61.232 61.300 0.116 0.000 1.311 326 I CB 1.075 39.123 38.000 0.080 0.000 1.401 326 I HN 0.613 nan 8.210 nan 0.000 0.491 327 D N 6.769 127.138 120.400 -0.052 0.000 2.375 327 D HA 0.348 4.987 4.640 -0.001 0.000 0.259 327 D C -0.926 175.387 176.300 0.021 0.000 1.235 327 D CA -0.232 53.739 54.000 -0.049 0.000 0.924 327 D CB 0.773 41.460 40.800 -0.188 0.000 1.143 327 D HN 0.472 nan 8.370 nan 0.000 0.529 328 Q N 0.580 120.366 119.800 -0.024 0.000 2.528 328 Q HA 0.624 4.964 4.340 -0.001 0.000 0.289 328 Q C -1.202 174.631 176.000 -0.278 0.000 1.091 328 Q CA -1.167 54.558 55.803 -0.130 0.000 0.797 328 Q CB 2.367 31.014 28.738 -0.151 0.000 1.466 328 Q HN 0.233 nan 8.270 nan 0.000 0.436 329 S N -0.061 115.413 115.700 -0.376 0.000 2.561 329 S HA 0.450 4.920 4.470 -0.001 0.000 0.303 329 S C -1.777 172.543 174.600 -0.467 0.000 1.110 329 S CA -0.563 57.450 58.200 -0.310 0.000 1.034 329 S CB 0.343 63.503 63.200 -0.067 0.000 1.010 329 S HN 0.582 nan 8.310 nan 0.000 0.482 330 H N 4.018 123.124 119.070 0.060 0.000 2.690 330 H HA 0.418 4.973 4.556 -0.001 0.000 0.280 330 H C 0.440 175.813 175.328 0.075 0.000 1.138 330 H CA -0.793 55.288 56.048 0.055 0.000 1.241 330 H CB 0.651 30.431 29.762 0.030 0.000 1.394 330 H HN 0.485 nan 8.280 nan 0.000 0.489 331 N N 1.754 120.539 118.700 0.142 0.000 2.405 331 N HA -0.046 4.693 4.740 -0.001 0.000 0.175 331 N C 0.896 176.501 175.510 0.158 0.000 1.051 331 N CA 0.673 53.818 53.050 0.158 0.000 0.899 331 N CB 0.899 39.480 38.487 0.156 0.000 1.000 331 N HN 0.486 nan 8.380 nan 0.000 0.451 332 V N -2.400 117.588 119.914 0.124 0.000 3.070 332 V HA 0.468 4.587 4.120 -0.001 0.000 0.355 332 V C -0.094 176.045 176.094 0.075 0.000 1.400 332 V CA -0.319 62.029 62.300 0.081 0.000 1.170 332 V CB -0.203 31.645 31.823 0.041 0.000 1.169 332 V HN 0.152 nan 8.190 nan 0.000 0.554 333 T N -3.829 110.783 114.554 0.098 0.000 2.816 333 T HA 0.453 4.802 4.350 -0.001 0.000 0.299 333 T C -1.227 173.513 174.700 0.066 0.000 1.230 333 T CA -0.313 61.831 62.100 0.073 0.000 1.007 333 T CB 2.094 71.001 68.868 0.065 0.000 1.289 333 T HN 0.174 nan 8.240 nan 0.000 0.508 334 D N 1.497 121.923 120.400 0.044 0.000 2.346 334 D HA 0.214 4.853 4.640 -0.001 0.000 0.260 334 D C -1.463 174.794 176.300 -0.071 0.000 1.252 334 D CA -1.773 52.250 54.000 0.038 0.000 0.895 334 D CB 1.322 42.179 40.800 0.094 0.000 1.097 334 D HN 0.134 nan 8.370 nan 0.000 0.489 335 P HA -0.171 nan 4.420 nan 0.000 0.216 335 P C 1.642 178.699 177.300 -0.406 0.000 1.154 335 P CA 1.131 64.067 63.100 -0.274 0.000 0.865 335 P CB 0.220 31.879 31.700 -0.068 0.000 0.789 336 I N -0.687 119.714 120.570 -0.282 0.000 2.226 336 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 336 I C 2.239 178.063 176.117 -0.487 0.000 1.100 336 I CA 1.523 62.589 61.300 -0.390 0.000 1.374 336 I CB -0.663 37.064 38.000 -0.456 0.000 1.057 336 I HN 0.037 nan 8.210 nan 0.000 0.413 337 E N 0.392 120.317 120.200 -0.460 0.000 2.072 337 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 337 E C 2.358 178.816 176.600 -0.236 0.000 0.985 337 E CA 1.294 57.484 56.400 -0.349 0.000 0.801 337 E CB -0.057 29.534 29.700 -0.181 0.000 0.750 337 E HN 0.328 nan 8.360 nan 0.000 0.452 338 S N 0.957 116.505 115.700 -0.253 0.000 2.368 338 S HA -0.074 4.395 4.470 -0.001 0.000 0.224 338 S C 2.008 176.486 174.600 -0.203 0.000 1.029 338 S CA 0.697 58.779 58.200 -0.197 0.000 0.988 338 S CB -0.104 62.969 63.200 -0.211 0.000 0.838 338 S HN 0.175 nan 8.310 nan 0.000 0.462 339 L N 0.814 121.837 121.223 -0.333 0.000 2.093 339 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 339 L C 2.122 178.906 176.870 -0.144 0.000 1.085 339 L CA 0.955 55.673 54.840 -0.203 0.000 0.755 339 L CB -0.481 41.435 42.059 -0.237 0.000 0.904 339 L HN 0.318 nan 8.230 nan 0.000 0.435 340 I N -0.013 120.446 120.570 -0.185 0.000 2.142 340 I HA -0.302 3.867 4.170 -0.001 0.000 0.240 340 I C 2.062 178.124 176.117 -0.092 0.000 1.078 340 I CA 1.297 62.510 61.300 -0.145 0.000 1.343 340 I CB -0.309 37.578 38.000 -0.187 0.000 1.046 340 I HN 0.328 nan 8.210 nan 0.000 0.405 341 N N 0.263 118.911 118.700 -0.086 0.000 2.331 341 N HA -0.088 4.651 4.740 -0.001 0.000 0.180 341 N C 1.940 177.430 175.510 -0.033 0.000 1.019 341 N CA 0.938 53.957 53.050 -0.052 0.000 0.881 341 N CB -0.138 38.325 38.487 -0.040 0.000 0.972 341 N HN 0.185 nan 8.380 nan 0.000 0.435 342 S N 0.443 116.128 115.700 -0.025 0.000 2.371 342 S HA 0.021 4.490 4.470 -0.001 0.000 0.224 342 S C 2.052 176.639 174.600 -0.020 0.000 1.029 342 S CA 0.928 59.130 58.200 0.003 0.000 0.978 342 S CB -0.222 63.006 63.200 0.047 0.000 0.833 342 S HN 0.472 nan 8.310 nan 0.000 0.466 343 A N 2.191 124.996 122.820 -0.025 0.000 1.933 343 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 343 A C 1.839 179.399 177.584 -0.039 0.000 1.175 343 A CA 1.552 53.578 52.037 -0.019 0.000 0.628 343 A CB -0.798 18.198 19.000 -0.007 0.000 0.814 343 A HN 0.613 nan 8.150 nan 0.000 0.444 344 N N -0.912 117.760 118.700 -0.045 0.000 2.142 344 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 344 N C 1.825 177.285 175.510 -0.084 0.000 1.023 344 N CA 1.204 54.221 53.050 -0.055 0.000 0.852 344 N CB -0.122 38.338 38.487 -0.046 0.000 0.998 344 N HN 0.486 nan 8.380 nan 0.000 0.424 345 E N 1.417 121.573 120.200 -0.073 0.000 2.110 345 E HA -0.064 4.285 4.350 -0.001 0.000 0.193 345 E C 1.724 178.236 176.600 -0.146 0.000 0.988 345 E CA 0.892 57.246 56.400 -0.076 0.000 0.804 345 E CB -0.097 29.585 29.700 -0.030 0.000 0.745 345 E HN 0.352 nan 8.360 nan 0.000 0.458 346 I N -0.165 120.286 120.570 -0.198 0.000 2.252 346 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 346 I C 2.494 178.247 176.117 -0.607 0.000 1.102 346 I CA 0.966 62.037 61.300 -0.382 0.000 1.385 346 I CB -0.226 37.556 38.000 -0.363 0.000 1.064 346 I HN 0.040 nan 8.210 nan 0.000 0.414 347 R N 0.243 120.516 120.500 -0.380 0.000 2.115 347 R HA -0.132 4.207 4.340 -0.001 0.000 0.230 347 R C 2.438 178.540 176.300 -0.331 0.000 1.111 347 R CA 0.935 56.809 56.100 -0.377 0.000 0.976 347 R CB -0.246 29.975 30.300 -0.131 0.000 0.870 347 R HN 0.309 nan 8.270 nan 0.000 0.445 348 R N 0.566 120.919 120.500 -0.245 0.000 2.070 348 R HA -0.128 4.211 4.340 -0.001 0.000 0.233 348 R C 2.125 178.313 176.300 -0.186 0.000 1.137 348 R CA 1.668 57.660 56.100 -0.180 0.000 0.945 348 R CB -0.259 29.970 30.300 -0.119 0.000 0.845 348 R HN 0.192 nan 8.270 nan 0.000 0.430 349 A N 0.083 122.778 122.820 -0.209 0.000 1.933 349 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 349 A C 2.018 179.430 177.584 -0.286 0.000 1.175 349 A CA 1.425 53.417 52.037 -0.075 0.000 0.628 349 A CB -0.877 18.125 19.000 0.004 0.000 0.814 349 A HN 0.637 nan 8.150 nan 0.000 0.444 350 Y N 0.728 120.419 120.300 -1.014 0.000 2.145 350 Y HA -0.079 4.471 4.550 -0.001 0.000 0.286 350 Y C 2.649 178.276 175.900 -0.455 0.000 1.145 350 Y CA 1.157 58.614 58.100 -1.070 0.000 1.148 350 Y CB -0.854 36.625 38.460 -1.635 0.000 0.981 350 Y HN 0.299 nan 8.280 nan 0.000 0.507 351 A N 0.313 122.825 122.820 -0.513 0.000 1.883 351 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 351 A C 2.147 179.582 177.584 -0.248 0.000 1.186 351 A CA 2.138 53.925 52.037 -0.416 0.000 0.624 351 A CB -0.889 17.965 19.000 -0.243 0.000 0.822 351 A HN 0.683 nan 8.150 nan 0.000 0.444 352 Q N -0.836 118.904 119.800 -0.100 0.000 2.124 352 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 352 Q C 2.370 178.533 176.000 0.271 0.000 0.977 352 Q CA 1.354 57.199 55.803 0.070 0.000 0.850 352 Q CB -0.383 28.424 28.738 0.115 0.000 0.901 352 Q HN 0.703 nan 8.270 nan 0.000 0.429 353 A N 0.643 123.589 122.820 0.211 0.000 1.969 353 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 353 A C 1.958 179.525 177.584 -0.027 0.000 1.169 353 A CA 0.935 53.021 52.037 0.082 0.000 0.635 353 A CB -0.509 18.443 19.000 -0.079 0.000 0.810 353 A HN 0.303 nan 8.150 nan 0.000 0.445 354 L N -0.578 120.537 121.223 -0.180 0.000 2.362 354 L HA -0.064 4.275 4.340 -0.001 0.000 0.219 354 L C 1.958 178.775 176.870 -0.088 0.000 1.134 354 L CA 0.474 55.199 54.840 -0.192 0.000 0.807 354 L CB -0.324 41.520 42.059 -0.358 0.000 0.927 354 L HN 0.379 nan 8.230 nan 0.000 0.447 355 L N -0.929 120.269 121.223 -0.043 0.000 2.492 355 L HA 0.037 4.377 4.340 -0.001 0.000 0.223 355 L C 0.807 177.694 176.870 0.030 0.000 1.132 355 L CA -0.268 54.562 54.840 -0.017 0.000 0.850 355 L CB -0.114 41.930 42.059 -0.025 0.000 0.966 355 L HN -0.051 nan 8.230 nan 0.000 0.454 356 V N 1.497 121.456 119.914 0.075 0.000 2.557 356 V HA -0.135 3.984 4.120 -0.001 0.000 0.301 356 V C 0.516 176.643 176.094 0.055 0.000 1.026 356 V CA 0.226 62.585 62.300 0.099 0.000 1.137 356 V CB 0.470 32.365 31.823 0.121 0.000 0.917 356 V HN 0.167 nan 8.190 nan 0.000 0.484 357 D N 5.746 126.182 120.400 0.059 0.000 2.435 357 D HA 0.075 4.715 4.640 -0.001 0.000 0.230 357 D C 1.385 177.707 176.300 0.037 0.000 1.215 357 D CA -0.300 53.723 54.000 0.038 0.000 0.947 357 D CB 0.478 41.304 40.800 0.044 0.000 1.048 357 D HN 0.354 nan 8.370 nan 0.000 0.512 358 R N 2.846 123.358 120.500 0.021 0.000 2.105 358 R HA -0.144 4.196 4.340 -0.001 0.000 0.239 358 R C 1.804 178.101 176.300 -0.004 0.000 1.135 358 R CA 1.268 57.376 56.100 0.013 0.000 0.967 358 R CB -0.893 29.409 30.300 0.004 0.000 0.861 358 R HN 0.489 nan 8.270 nan 0.000 0.442 359 A N 1.313 124.123 122.820 -0.017 0.000 1.877 359 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 359 A C 2.448 179.984 177.584 -0.080 0.000 1.186 359 A CA 1.924 53.935 52.037 -0.043 0.000 0.620 359 A CB -0.673 18.302 19.000 -0.042 0.000 0.822 359 A HN 0.349 nan 8.150 nan 0.000 0.443 360 A N -0.552 122.223 122.820 -0.075 0.000 1.877 360 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 360 A C 2.145 179.649 177.584 -0.133 0.000 1.186 360 A CA 1.785 53.725 52.037 -0.162 0.000 0.620 360 A CB -0.691 18.294 19.000 -0.025 0.000 0.822 360 A HN 0.732 nan 8.150 nan 0.000 0.443 361 L N 0.013 121.266 121.223 0.050 0.000 2.042 361 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 361 L C 2.591 179.499 176.870 0.064 0.000 1.076 361 L CA 2.666 57.588 54.840 0.136 0.000 0.749 361 L CB -0.893 41.229 42.059 0.105 0.000 0.893 361 L HN 0.369 nan 8.230 nan 0.000 0.432 362 S N -0.624 115.074 115.700 -0.003 0.000 2.359 362 S HA -0.146 4.324 4.470 -0.001 0.000 0.224 362 S C 2.079 176.653 174.600 -0.044 0.000 1.035 362 S CA 1.354 59.544 58.200 -0.018 0.000 1.018 362 S CB -0.941 62.240 63.200 -0.031 0.000 0.876 362 S HN 0.666 nan 8.310 nan 0.000 0.448 363 G N -0.526 108.196 108.800 -0.130 0.000 2.418 363 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 363 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 363 G C 1.156 175.979 174.900 -0.128 0.000 1.158 363 G CA 0.971 45.961 45.100 -0.184 0.000 0.771 363 G HN 0.596 nan 8.290 nan 0.000 0.545 364 Y N 0.924 121.227 120.300 0.004 0.000 2.293 364 Y HA -0.031 4.518 4.550 -0.001 0.000 0.291 364 Y C 3.090 178.993 175.900 0.005 0.000 1.137 364 Y CA 1.086 59.189 58.100 0.006 0.000 1.202 364 Y CB -0.433 38.033 38.460 0.010 0.000 0.990 364 Y HN 0.303 nan 8.280 nan 0.000 0.537 365 Q N -0.302 119.583 119.800 0.142 0.000 2.083 365 Q HA -0.148 4.192 4.340 -0.001 0.000 0.198 365 Q C 1.986 178.016 176.000 0.051 0.000 0.969 365 Q CA 1.184 57.036 55.803 0.081 0.000 0.838 365 Q CB -0.064 28.705 28.738 0.052 0.000 0.900 365 Q HN 0.365 nan 8.270 nan 0.000 0.436 366 E N 0.997 121.216 120.200 0.032 0.000 2.110 366 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 366 E C 1.077 177.693 176.600 0.026 0.000 0.988 366 E CA 0.965 57.375 56.400 0.017 0.000 0.804 366 E CB -0.059 29.640 29.700 -0.003 0.000 0.745 366 E HN 0.352 nan 8.360 nan 0.000 0.458 367 D N 0.136 120.562 120.400 0.043 0.000 2.340 367 D HA 0.003 4.642 4.640 -0.001 0.000 0.220 367 D C -0.236 176.101 176.300 0.061 0.000 1.039 367 D CA 0.004 54.035 54.000 0.051 0.000 0.866 367 D CB -0.301 40.539 40.800 0.067 0.000 0.913 367 D HN 0.162 nan 8.370 nan 0.000 0.523 368 N N 1.159 119.896 118.700 0.062 0.000 2.735 368 N HA -0.183 4.557 4.740 -0.001 0.000 0.248 368 N C -0.687 174.854 175.510 0.053 0.000 1.083 368 N CA 0.424 53.505 53.050 0.050 0.000 0.703 368 N CB -0.648 37.858 38.487 0.032 0.000 1.005 368 N HN 0.081 nan 8.380 nan 0.000 0.550 369 D N 0.056 120.508 120.400 0.086 0.000 2.522 369 D HA 0.449 5.088 4.640 -0.001 0.000 0.218 369 D C 1.109 177.407 176.300 -0.003 0.000 1.149 369 D CA 0.324 54.355 54.000 0.052 0.000 0.981 369 D CB 0.182 41.056 40.800 0.123 0.000 1.041 369 D HN 0.369 nan 8.370 nan 0.000 0.518 370 A N 3.480 126.297 122.820 -0.006 0.000 1.917 370 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 370 A C 2.041 179.594 177.584 -0.052 0.000 1.182 370 A CA 1.084 53.112 52.037 -0.014 0.000 0.633 370 A CB -0.515 18.482 19.000 -0.005 0.000 0.819 370 A HN 0.581 nan 8.150 nan 0.000 0.448 371 L N -1.283 119.895 121.223 -0.076 0.000 2.012 371 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 371 L C 2.434 179.197 176.870 -0.178 0.000 1.073 371 L CA 2.014 56.795 54.840 -0.099 0.000 0.748 371 L CB -0.264 41.741 42.059 -0.089 0.000 0.891 371 L HN 0.293 nan 8.230 nan 0.000 0.431 372 M N -0.841 118.561 119.600 -0.329 0.000 2.319 372 M HA -0.043 4.436 4.480 -0.001 0.000 0.265 372 M C 2.374 178.351 176.300 -0.539 0.000 1.068 372 M CA 1.450 56.364 55.300 -0.643 0.000 1.118 372 M CB -1.555 30.207 32.600 -1.396 0.000 1.395 372 M HN 0.460 nan 8.290 nan 0.000 0.435 373 A N -0.658 122.001 122.820 -0.267 0.000 1.873 373 A HA -0.155 4.165 4.320 -0.001 0.000 0.215 373 A C 2.396 179.992 177.584 0.020 0.000 1.186 373 A CA 2.362 54.399 52.037 -0.001 0.000 0.616 373 A CB -1.160 17.879 19.000 0.065 0.000 0.823 373 A HN 0.423 nan 8.150 nan 0.000 0.442 374 T N -1.033 113.519 114.554 -0.003 0.000 2.821 374 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 374 T C 1.911 176.634 174.700 0.039 0.000 1.046 374 T CA 1.794 63.921 62.100 0.044 0.000 1.139 374 T CB -0.225 68.663 68.868 0.034 0.000 0.871 374 T HN 0.587 nan 8.240 nan 0.000 0.454 375 E N 0.473 120.655 120.200 -0.029 0.000 2.150 375 E HA -0.069 4.280 4.350 -0.001 0.000 0.193 375 E C 2.126 178.730 176.600 0.007 0.000 0.985 375 E CA 1.554 57.933 56.400 -0.034 0.000 0.814 375 E CB -0.646 29.000 29.700 -0.091 0.000 0.752 375 E HN 0.400 nan 8.360 nan 0.000 0.466 376 T N 0.788 115.359 114.554 0.029 0.000 2.821 376 T HA -0.050 4.299 4.350 -0.001 0.000 0.267 376 T C 1.715 176.496 174.700 0.135 0.000 1.046 376 T CA 1.154 63.315 62.100 0.101 0.000 1.139 376 T CB -0.147 68.829 68.868 0.181 0.000 0.871 376 T HN 0.143 nan 8.240 nan 0.000 0.454 377 L N 0.306 121.631 121.223 0.171 0.000 2.109 377 L HA -0.027 4.313 4.340 -0.001 0.000 0.207 377 L C 2.729 179.735 176.870 0.226 0.000 1.086 377 L CA 0.948 55.965 54.840 0.293 0.000 0.760 377 L CB -0.383 41.897 42.059 0.368 0.000 0.910 377 L HN 0.076 nan 8.230 nan 0.000 0.437 378 K N 0.519 120.999 120.400 0.133 0.000 2.097 378 K HA -0.119 4.200 4.320 -0.001 0.000 0.206 378 K C 2.109 178.704 176.600 -0.008 0.000 1.049 378 K CA 1.156 57.469 56.287 0.043 0.000 0.933 378 K CB -0.260 32.234 32.500 -0.010 0.000 0.717 378 K HN 0.310 nan 8.250 nan 0.000 0.442 379 R N 0.162 120.666 120.500 0.005 0.000 2.120 379 R HA -0.071 4.268 4.340 -0.001 0.000 0.234 379 R C 2.231 178.507 176.300 -0.040 0.000 1.123 379 R CA 1.222 57.309 56.100 -0.021 0.000 0.975 379 R CB -0.224 30.077 30.300 0.002 0.000 0.866 379 R HN 0.152 nan 8.270 nan 0.000 0.446 380 A N 0.206 123.023 122.820 -0.005 0.000 1.855 380 A HA -0.159 4.160 4.320 -0.001 0.000 0.213 380 A C 1.920 179.409 177.584 -0.159 0.000 1.195 380 A CA 0.740 52.769 52.037 -0.014 0.000 0.610 380 A CB -0.698 18.387 19.000 0.142 0.000 0.837 380 A HN 0.385 nan 8.150 nan 0.000 0.444 381 Y N 0.961 120.965 120.300 -0.494 0.000 2.207 381 Y HA -0.169 4.380 4.550 -0.001 0.000 0.287 381 Y C 2.298 177.970 175.900 -0.380 0.000 1.156 381 Y CA 1.913 59.567 58.100 -0.743 0.000 1.182 381 Y CB -0.201 37.666 38.460 -0.990 0.000 0.979 381 Y HN 0.236 nan 8.280 nan 0.000 0.521 382 R N -0.417 119.853 120.500 -0.384 0.000 2.276 382 R HA 0.014 4.354 4.340 -0.001 0.000 0.203 382 R C 0.353 176.470 176.300 -0.305 0.000 1.017 382 R CA 0.797 56.675 56.100 -0.370 0.000 1.010 382 R CB -0.401 29.780 30.300 -0.199 0.000 0.900 382 R HN 0.142 nan 8.270 nan 0.000 0.469 383 T N 1.653 116.051 114.554 -0.260 0.000 2.834 383 T HA -0.031 4.318 4.350 -0.001 0.000 0.298 383 T C -0.155 174.415 174.700 -0.217 0.000 0.966 383 T CA -0.082 61.900 62.100 -0.198 0.000 1.141 383 T CB 0.909 69.686 68.868 -0.151 0.000 0.905 383 T HN -0.015 nan 8.240 nan 0.000 0.535 384 D N 3.465 123.757 120.400 -0.179 0.000 2.359 384 D HA 0.076 4.716 4.640 -0.001 0.000 0.250 384 D C 1.128 177.349 176.300 -0.132 0.000 1.264 384 D CA -0.630 53.274 54.000 -0.160 0.000 0.911 384 D CB 0.425 41.148 40.800 -0.129 0.000 1.056 384 D HN 0.363 nan 8.370 nan 0.000 0.499 385 V N 1.681 121.515 119.914 -0.134 0.000 3.577 385 V HA 0.116 4.235 4.120 -0.001 0.000 0.294 385 V C 1.691 177.741 176.094 -0.073 0.000 1.317 385 V CA 0.029 62.264 62.300 -0.109 0.000 1.169 385 V CB 0.042 31.792 31.823 -0.122 0.000 1.011 385 V HN 0.265 nan 8.190 nan 0.000 0.426 386 E N 2.596 122.755 120.200 -0.068 0.000 2.097 386 E HA -0.124 4.225 4.350 -0.001 0.000 0.196 386 E C -0.175 176.424 176.600 -0.002 0.000 1.000 386 E CA 2.362 58.737 56.400 -0.041 0.000 0.804 386 E CB -1.443 28.230 29.700 -0.044 0.000 0.740 386 E HN 0.510 nan 8.360 nan 0.000 0.454 387 P HA -0.100 nan 4.420 nan 0.000 0.218 387 P C 1.191 178.615 177.300 0.208 0.000 1.148 387 P CA 1.242 64.406 63.100 0.106 0.000 0.822 387 P CB -0.011 31.747 31.700 0.097 0.000 0.784 388 I N -1.899 118.752 120.570 0.134 0.000 2.286 388 I HA -0.192 3.978 4.170 -0.001 0.000 0.245 388 I C 1.812 177.983 176.117 0.090 0.000 1.104 388 I CA 1.062 62.466 61.300 0.174 0.000 1.397 388 I CB -0.516 37.510 38.000 0.043 0.000 1.072 388 I HN -0.105 nan 8.210 nan 0.000 0.417 389 L N 0.721 121.961 121.223 0.028 0.000 2.056 389 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 389 L C 2.674 179.549 176.870 0.008 0.000 1.078 389 L CA 2.018 56.860 54.840 0.004 0.000 0.749 389 L CB -1.200 40.844 42.059 -0.025 0.000 0.901 389 L HN 0.171 nan 8.230 nan 0.000 0.433 390 A N -0.805 122.022 122.820 0.012 0.000 1.898 390 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 390 A C 2.323 179.893 177.584 -0.024 0.000 1.181 390 A CA 1.583 53.617 52.037 -0.004 0.000 0.620 390 A CB -0.480 18.520 19.000 -0.000 0.000 0.819 390 A HN 0.371 nan 8.150 nan 0.000 0.442 391 E N 0.460 120.640 120.200 -0.034 0.000 2.072 391 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 391 E C 2.002 178.549 176.600 -0.089 0.000 0.985 391 E CA 1.589 57.904 56.400 -0.142 0.000 0.801 391 E CB -0.525 28.948 29.700 -0.378 0.000 0.750 391 E HN 0.440 nan 8.360 nan 0.000 0.452 392 A N 0.883 123.690 122.820 -0.022 0.000 1.908 392 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 392 A C 2.259 179.845 177.584 0.003 0.000 1.181 392 A CA 1.815 53.854 52.037 0.002 0.000 0.627 392 A CB -0.511 18.506 19.000 0.029 0.000 0.818 392 A HN 0.222 nan 8.150 nan 0.000 0.445 393 R N -1.205 119.295 120.500 0.000 0.000 2.070 393 R HA -0.104 4.236 4.340 -0.001 0.000 0.233 393 R C 2.582 178.875 176.300 -0.012 0.000 1.137 393 R CA 1.459 57.561 56.100 0.003 0.000 0.945 393 R CB -0.379 29.920 30.300 -0.002 0.000 0.845 393 R HN 0.559 nan 8.270 nan 0.000 0.430 394 R N 1.138 121.618 120.500 -0.033 0.000 2.096 394 R HA -0.160 4.179 4.340 -0.001 0.000 0.240 394 R C 2.178 178.452 176.300 -0.043 0.000 1.139 394 R CA 1.730 57.802 56.100 -0.046 0.000 0.952 394 R CB -0.085 30.173 30.300 -0.070 0.000 0.854 394 R HN 0.168 nan 8.270 nan 0.000 0.436 395 R N -0.685 119.786 120.500 -0.049 0.000 2.189 395 R HA -0.061 4.279 4.340 -0.001 0.000 0.223 395 R C 1.573 177.868 176.300 -0.009 0.000 1.092 395 R CA 1.654 57.732 56.100 -0.038 0.000 0.989 395 R CB -0.008 30.264 30.300 -0.046 0.000 0.876 395 R HN 0.400 nan 8.270 nan 0.000 0.457 396 T N -3.883 110.675 114.554 0.006 0.000 3.134 396 T HA 0.315 4.665 4.350 -0.001 0.000 0.260 396 T C 1.086 175.802 174.700 0.027 0.000 1.027 396 T CA 0.241 62.358 62.100 0.030 0.000 0.913 396 T CB 1.169 70.073 68.868 0.060 0.000 1.046 396 T HN 0.327 nan 8.240 nan 0.000 0.553 397 G N 0.035 108.839 108.800 0.007 0.000 2.176 397 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.232 397 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.232 397 G C 0.472 175.369 174.900 -0.005 0.000 0.986 397 G CA -0.262 44.838 45.100 0.000 0.000 0.643 397 G HN 0.993 nan 8.290 nan 0.000 0.522 398 G N -0.311 108.489 108.800 -0.001 0.000 2.531 398 G HA2 0.820 4.779 3.960 -0.001 0.000 0.281 398 G HA3 0.820 4.779 3.960 -0.001 0.000 0.281 398 G C 0.226 175.116 174.900 -0.016 0.000 1.382 398 G CA 0.254 45.352 45.100 -0.003 0.000 1.045 398 G HN 1.505 nan 8.290 nan 0.000 0.533 399 A N -1.438 121.375 122.820 -0.013 0.000 2.312 399 A HA 0.574 4.894 4.320 -0.001 0.000 0.326 399 A C 1.144 178.719 177.584 -0.015 0.000 1.172 399 A CA -0.500 51.529 52.037 -0.015 0.000 0.821 399 A CB 1.666 20.663 19.000 -0.006 0.000 1.166 399 A HN 0.646 nan 8.150 nan 0.000 0.493 400 V N 1.056 120.959 119.914 -0.019 0.000 2.295 400 V HA -0.102 4.017 4.120 -0.001 0.000 0.246 400 V C 0.790 176.876 176.094 -0.013 0.000 1.049 400 V CA 2.447 64.735 62.300 -0.019 0.000 1.024 400 V CB -0.291 31.519 31.823 -0.022 0.000 0.648 400 V HN 0.892 nan 8.190 nan 0.000 0.447 401 D N -1.523 118.872 120.400 -0.008 0.000 2.404 401 D HA 0.246 4.885 4.640 -0.001 0.000 0.267 401 D C -1.922 174.381 176.300 0.005 0.000 1.194 401 D CA -2.120 51.878 54.000 -0.003 0.000 0.910 401 D CB 1.851 42.650 40.800 -0.001 0.000 1.090 401 D HN 0.050 nan 8.370 nan 0.000 0.511 402 P HA -0.202 nan 4.420 nan 0.000 0.214 402 P C 1.650 178.972 177.300 0.035 0.000 1.169 402 P CA 0.830 63.931 63.100 0.003 0.000 0.908 402 P CB 0.450 32.134 31.700 -0.027 0.000 0.791 403 V N -0.303 119.625 119.914 0.023 0.000 2.407 403 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 403 V C 2.451 178.615 176.094 0.116 0.000 1.055 403 V CA 2.189 64.532 62.300 0.070 0.000 1.049 403 V CB -1.771 30.070 31.823 0.029 0.000 0.662 403 V HN 0.116 nan 8.190 nan 0.000 0.455 404 A N -0.276 122.582 122.820 0.062 0.000 1.902 404 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 404 A C 2.402 180.016 177.584 0.051 0.000 1.181 404 A CA 2.506 54.572 52.037 0.048 0.000 0.623 404 A CB -0.914 18.100 19.000 0.023 0.000 0.818 404 A HN 0.500 nan 8.150 nan 0.000 0.443 405 T N -1.664 112.923 114.554 0.055 0.000 2.821 405 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 405 T C 1.782 176.527 174.700 0.075 0.000 1.046 405 T CA 1.506 63.634 62.100 0.046 0.000 1.139 405 T CB -0.410 68.479 68.868 0.034 0.000 0.871 405 T HN 0.572 nan 8.240 nan 0.000 0.454 406 Y N 2.343 122.633 120.300 -0.016 0.000 2.165 406 Y HA -0.148 4.401 4.550 -0.001 0.000 0.286 406 Y C 2.406 178.322 175.900 0.028 0.000 1.155 406 Y CA 1.333 59.427 58.100 -0.011 0.000 1.164 406 Y CB -0.166 38.272 38.460 -0.036 0.000 0.978 406 Y HN 0.016 nan 8.280 nan 0.000 0.513 407 R N -0.280 120.211 120.500 -0.015 0.000 2.090 407 R HA -0.019 4.320 4.340 -0.001 0.000 0.228 407 R C 2.451 178.700 176.300 -0.086 0.000 1.110 407 R CA 0.908 56.951 56.100 -0.096 0.000 0.973 407 R CB -0.534 29.779 30.300 0.021 0.000 0.869 407 R HN 0.410 nan 8.270 nan 0.000 0.440 408 A N 1.136 123.933 122.820 -0.039 0.000 2.067 408 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 408 A C 2.167 179.726 177.584 -0.042 0.000 1.158 408 A CA 1.670 53.688 52.037 -0.031 0.000 0.661 408 A CB -0.343 18.649 19.000 -0.013 0.000 0.801 408 A HN 0.407 nan 8.150 nan 0.000 0.452 409 S N -1.535 114.130 115.700 -0.058 0.000 2.436 409 S HA 0.298 4.767 4.470 -0.001 0.000 0.228 409 S C 1.564 176.129 174.600 -0.058 0.000 1.014 409 S CA 1.216 59.393 58.200 -0.038 0.000 0.950 409 S CB -0.596 62.602 63.200 -0.005 0.000 0.784 409 S HN 1.920 nan 8.310 nan 0.000 0.504 410 G N 0.407 109.134 108.800 -0.122 0.000 2.160 410 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.251 410 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.251 410 G C 0.214 175.038 174.900 -0.127 0.000 1.008 410 G CA 0.470 45.498 45.100 -0.121 0.000 0.724 410 G HN 0.620 nan 8.290 nan 0.000 0.514 411 Y N 0.821 120.937 120.300 -0.306 0.000 2.114 411 Y HA -0.227 4.322 4.550 -0.001 0.000 0.282 411 Y C 2.816 178.629 175.900 -0.146 0.000 1.165 411 Y CA 2.879 60.850 58.100 -0.216 0.000 1.148 411 Y CB -0.160 38.165 38.460 -0.224 0.000 0.972 411 Y HN 0.335 nan 8.280 nan 0.000 0.504 412 R N 0.926 121.387 120.500 -0.064 0.000 2.091 412 R HA -0.154 4.185 4.340 -0.001 0.000 0.238 412 R C 2.252 178.515 176.300 -0.062 0.000 1.136 412 R CA 1.793 57.910 56.100 0.028 0.000 0.959 412 R CB -1.232 29.123 30.300 0.093 0.000 0.856 412 R HN 0.435 nan 8.270 nan 0.000 0.437 413 A N 0.776 123.545 122.820 -0.085 0.000 1.933 413 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 413 A C 2.261 179.784 177.584 -0.102 0.000 1.175 413 A CA 1.551 53.546 52.037 -0.071 0.000 0.628 413 A CB -0.648 18.315 19.000 -0.062 0.000 0.814 413 A HN 0.444 nan 8.150 nan 0.000 0.444 414 R N 0.318 120.720 120.500 -0.162 0.000 2.082 414 R HA -0.144 4.195 4.340 -0.001 0.000 0.234 414 R C 2.036 178.210 176.300 -0.211 0.000 1.136 414 R CA 2.533 58.516 56.100 -0.195 0.000 0.935 414 R CB -0.693 29.444 30.300 -0.271 0.000 0.842 414 R HN 0.497 nan 8.270 nan 0.000 0.430 415 V N -1.363 118.366 119.914 -0.309 0.000 2.759 415 V HA 0.025 4.145 4.120 -0.001 0.000 0.256 415 V C 2.357 178.395 176.094 -0.092 0.000 1.080 415 V CA 1.489 63.659 62.300 -0.216 0.000 1.101 415 V CB -0.968 30.713 31.823 -0.235 0.000 0.698 415 V HN 0.416 nan 8.190 nan 0.000 0.477 416 A N 0.822 123.598 122.820 -0.072 0.000 1.930 416 A HA 0.130 4.450 4.320 -0.001 0.000 0.217 416 A C 2.449 180.016 177.584 -0.028 0.000 1.175 416 A CA 2.086 54.106 52.037 -0.028 0.000 0.627 416 A CB -0.874 18.116 19.000 -0.017 0.000 0.815 416 A HN 0.887 nan 8.150 nan 0.000 0.443 417 A N -0.298 122.495 122.820 -0.045 0.000 1.968 417 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 417 A C 1.875 179.440 177.584 -0.031 0.000 1.169 417 A CA 1.398 53.415 52.037 -0.035 0.000 0.638 417 A CB -0.358 18.617 19.000 -0.041 0.000 0.812 417 A HN 0.612 nan 8.150 nan 0.000 0.446 418 E N -0.460 119.713 120.200 -0.044 0.000 2.158 418 E HA -0.047 4.303 4.350 -0.001 0.000 0.191 418 E C 0.437 177.029 176.600 -0.014 0.000 0.982 418 E CA 0.502 56.883 56.400 -0.033 0.000 0.823 418 E CB 0.037 29.708 29.700 -0.048 0.000 0.766 418 E HN 0.461 nan 8.360 nan 0.000 0.468 419 R N 1.874 122.368 120.500 -0.011 0.000 3.463 419 R HA 0.208 4.547 4.340 -0.001 0.000 0.303 419 R C -2.247 174.059 176.300 0.010 0.000 1.370 419 R CA -1.224 54.880 56.100 0.008 0.000 1.524 419 R CB 0.419 30.729 30.300 0.017 0.000 1.389 419 R HN 0.118 nan 8.270 nan 0.000 0.640 420 P HA 0.000 nan 4.420 nan 0.000 0.216 420 P CA 0.000 63.106 63.100 0.010 0.000 0.800 420 P CB 0.000 31.704 31.700 0.007 0.000 0.726