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 2x24_1_B DATA FIRST_RESID 26 DATA SEQUENCE LLQAKRFQAQ SLGTTYVYDF PEMFRQALFK MWPSPDKYPK DILTYTELVL DATA SEQUENCE DPQGQLVEMN RLPGGNEVGM VAFKMTLKTL EYPEGRDIIL ISNDITFRIG DATA SEQUENCE SFGPGEDLLY LRASELARAE GIPRVYLAAN SGARIGLAEE IKHMFQVAWV DATA SEQUENCE DPEDPHKGIK YLYLTPQDYT RISSLNSVHC KHVEEDGESR YVITDIIGKE DATA SEQUENCE EGLGVENLRG SGMIAGETSQ DYDEIVTISM VSCRALGIGA YLVRLGQRVI DATA SEQUENCE QVENSHIILT GATALNKVLG RDVYTSNNQL GGVQIMHHNG VSHVTVPDDF DATA SEQUENCE EGVCTILEWL SYMPKDNRSP VPVVTPKDPI DREIEFQPSR GPYDPRWLLA DATA SEQUENCE GRPHPTLKGS WQSGFFDQGS FKEIMVPWAQ TVVTGRARLG GIPVGVIAAE DATA SEQUENCE TRTVELVVPA DPANLDSEAK IIQQAGQVWF PDSAYKTAQA IKDFNREKLP DATA SEQUENCE LMIFANWRGF SGGMKDMYDQ VLKFGAYIVD GLRKYRQPVL IYIPPYAEVR DATA SEQUENCE GGSWAVMDTS INPLCIEMYA DRESRASVLE PEGTVEIKYQ KKDLVKTIRR DATA SEQUENCE LDPISKXXXX XXXXXXXXXX XXXXXXXQLK AREDLLLPMY HQVALHFADL DATA SEQUENCE HDTAGRMLEK GVIYDILEWK TARSFLYWRL RRLLLESQVK QEVLRACPEL DATA SEQUENCE SHMHVQSMLR RWFVETEGAV KAYLWDNNQT VVQWLEAH 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 26 L HA 0.000 nan 4.340 nan 0.000 0.249 26 L C 0.000 176.840 176.870 -0.050 0.000 1.165 26 L CA 0.000 54.817 54.840 -0.039 0.000 0.813 26 L CB 0.000 42.042 42.059 -0.029 0.000 0.961 27 L N 1.032 122.220 121.223 -0.059 0.000 2.592 27 L HA 0.115 4.455 4.340 -0.000 0.000 0.227 27 L C 2.456 179.234 176.870 -0.154 0.000 1.127 27 L CA 1.079 55.860 54.840 -0.098 0.000 0.884 27 L CB 0.387 42.395 42.059 -0.085 0.000 1.065 27 L HN 0.838 nan 8.230 nan 0.000 0.457 28 Q N 0.009 119.751 119.800 -0.097 0.000 2.437 28 Q HA -0.080 4.260 4.340 -0.000 0.000 0.210 28 Q C 2.012 177.985 176.000 -0.044 0.000 0.972 28 Q CA 1.369 57.127 55.803 -0.074 0.000 0.903 28 Q CB -0.319 28.397 28.738 -0.036 0.000 0.967 28 Q HN 0.330 nan 8.270 nan 0.000 0.486 29 A N 1.255 124.040 122.820 -0.058 0.000 1.970 29 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 29 A C 1.936 179.526 177.584 0.009 0.000 1.170 29 A CA 1.098 53.125 52.037 -0.016 0.000 0.645 29 A CB -0.187 18.787 19.000 -0.044 0.000 0.816 29 A HN 0.301 nan 8.150 nan 0.000 0.447 30 K N -0.677 119.656 120.400 -0.112 0.000 2.103 30 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 30 K C 2.287 178.755 176.600 -0.220 0.000 1.052 30 K CA 0.952 57.132 56.287 -0.178 0.000 0.945 30 K CB -0.116 32.168 32.500 -0.361 0.000 0.722 30 K HN 0.316 nan 8.250 nan 0.000 0.443 31 R N -0.331 119.999 120.500 -0.283 0.000 2.092 31 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 31 R C 2.044 178.356 176.300 0.021 0.000 1.119 31 R CA 1.218 57.242 56.100 -0.128 0.000 0.970 31 R CB -0.131 30.112 30.300 -0.096 0.000 0.864 31 R HN 0.162 nan 8.270 nan 0.000 0.440 32 F N 0.893 120.796 119.950 -0.078 0.000 2.367 32 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 32 F C 2.329 178.114 175.800 -0.024 0.000 1.094 32 F CA 0.968 58.943 58.000 -0.042 0.000 1.409 32 F CB 0.158 39.133 39.000 -0.041 0.000 1.064 32 F HN -0.083 nan 8.300 nan 0.000 0.528 33 Q N 0.551 120.420 119.800 0.116 0.000 2.297 33 Q HA 0.026 4.365 4.340 -0.000 0.000 0.204 33 Q C 1.931 177.932 176.000 0.003 0.000 0.962 33 Q CA 1.440 57.281 55.803 0.063 0.000 0.879 33 Q CB -0.285 28.506 28.738 0.089 0.000 0.947 33 Q HN 0.423 nan 8.270 nan 0.000 0.462 34 A N -0.592 122.233 122.820 0.008 0.000 1.984 34 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 34 A C 1.953 179.505 177.584 -0.053 0.000 1.173 34 A CA 0.921 52.970 52.037 0.021 0.000 0.673 34 A CB -0.352 18.710 19.000 0.104 0.000 0.830 34 A HN 0.440 nan 8.150 nan 0.000 0.453 35 Q N 0.523 120.250 119.800 -0.121 0.000 2.119 35 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 35 Q C 2.168 178.040 176.000 -0.214 0.000 0.972 35 Q CA 1.955 57.653 55.803 -0.174 0.000 0.847 35 Q CB -0.126 28.473 28.738 -0.230 0.000 0.903 35 Q HN 0.775 nan 8.270 nan 0.000 0.433 36 S N -0.487 115.040 115.700 -0.288 0.000 2.453 36 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 36 S C 1.537 176.072 174.600 -0.110 0.000 1.005 36 S CA 0.519 58.574 58.200 -0.241 0.000 0.949 36 S CB -0.038 62.992 63.200 -0.284 0.000 0.774 36 S HN 0.389 nan 8.310 nan 0.000 0.510 37 L N 1.038 122.216 121.223 -0.076 0.000 2.628 37 L HA 0.369 4.709 4.340 -0.000 0.000 0.229 37 L C 1.657 178.506 176.870 -0.035 0.000 1.137 37 L CA 0.280 55.100 54.840 -0.033 0.000 0.909 37 L CB -0.194 41.861 42.059 -0.008 0.000 1.137 37 L HN 0.544 nan 8.230 nan 0.000 0.470 38 G N 0.234 109.002 108.800 -0.053 0.000 2.168 38 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 38 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 38 G C 0.357 175.235 174.900 -0.037 0.000 0.997 38 G CA 0.739 45.812 45.100 -0.046 0.000 0.708 38 G HN 0.346 nan 8.290 nan 0.000 0.520 39 T N -1.121 113.414 114.554 -0.032 0.000 2.910 39 T HA 0.703 5.053 4.350 -0.000 0.000 0.287 39 T C 0.348 175.014 174.700 -0.057 0.000 1.050 39 T CA 0.580 62.671 62.100 -0.014 0.000 1.011 39 T CB 1.527 70.412 68.868 0.028 0.000 1.195 39 T HN 0.196 nan 8.240 nan 0.000 0.540 40 T N 2.279 116.749 114.554 -0.140 0.000 2.882 40 T HA 0.345 4.695 4.350 -0.000 0.000 0.287 40 T C -1.035 173.504 174.700 -0.269 0.000 0.992 40 T CA -0.148 61.743 62.100 -0.347 0.000 1.076 40 T CB 0.341 68.704 68.868 -0.842 0.000 0.961 40 T HN 0.497 nan 8.240 nan 0.000 0.490 41 Y N 3.347 123.506 120.300 -0.234 0.000 2.526 41 Y HA 0.130 4.680 4.550 -0.000 0.000 0.330 41 Y C 1.416 177.256 175.900 -0.099 0.000 1.156 41 Y CA -0.452 57.602 58.100 -0.076 0.000 1.419 41 Y CB 0.287 38.757 38.460 0.016 0.000 1.250 41 Y HN 0.411 nan 8.280 nan 0.000 0.540 42 V N 7.345 126.949 119.914 -0.516 0.000 2.370 42 V HA -0.355 3.764 4.120 -0.000 0.000 0.252 42 V C 1.170 177.085 176.094 -0.299 0.000 1.068 42 V CA 2.233 64.380 62.300 -0.255 0.000 1.061 42 V CB -0.748 30.916 31.823 -0.264 0.000 0.656 42 V HN 0.917 nan 8.190 nan 0.000 0.455 43 Y N -0.256 119.756 120.300 -0.480 0.000 2.529 43 Y HA 0.059 4.609 4.550 -0.000 0.000 0.290 43 Y C 2.091 178.009 175.900 0.030 0.000 1.177 43 Y CA 0.797 58.875 58.100 -0.037 0.000 1.305 43 Y CB 0.017 38.535 38.460 0.096 0.000 1.047 43 Y HN 0.391 nan 8.280 nan 0.000 0.522 44 D N -1.433 118.999 120.400 0.053 0.000 2.392 44 D HA -0.030 4.610 4.640 -0.000 0.000 0.206 44 D C 1.537 177.807 176.300 -0.049 0.000 1.046 44 D CA 0.406 54.417 54.000 0.018 0.000 0.865 44 D CB -0.046 40.755 40.800 0.002 0.000 0.969 44 D HN 0.248 nan 8.370 nan 0.000 0.509 45 F N 1.481 121.415 119.950 -0.027 0.000 2.095 45 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 45 F C -0.489 175.311 175.800 0.001 0.000 1.104 45 F CA 0.990 58.984 58.000 -0.011 0.000 1.232 45 F CB -1.764 37.248 39.000 0.020 0.000 0.987 45 F HN 0.065 nan 8.300 nan 0.000 0.475 46 P HA -0.199 nan 4.420 nan 0.000 0.216 46 P C 1.480 178.702 177.300 -0.129 0.000 1.153 46 P CA 1.637 64.489 63.100 -0.413 0.000 0.858 46 P CB 0.025 31.033 31.700 -1.155 0.000 0.789 47 E N -1.164 119.022 120.200 -0.024 0.000 2.268 47 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 47 E C 1.926 178.567 176.600 0.069 0.000 0.995 47 E CA 1.083 57.511 56.400 0.047 0.000 0.836 47 E CB -0.833 28.907 29.700 0.067 0.000 0.763 47 E HN 0.172 nan 8.360 nan 0.000 0.491 48 M N -1.113 118.533 119.600 0.077 0.000 2.200 48 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 48 M C 1.511 177.811 176.300 -0.001 0.000 1.066 48 M CA 1.035 56.390 55.300 0.092 0.000 1.127 48 M CB -0.234 32.406 32.600 0.067 0.000 1.379 48 M HN 0.134 nan 8.290 nan 0.000 0.420 49 F N 0.130 120.059 119.950 -0.035 0.000 2.069 49 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 49 F C 2.693 178.418 175.800 -0.125 0.000 1.113 49 F CA 1.722 59.660 58.000 -0.104 0.000 1.214 49 F CB -0.610 38.283 39.000 -0.178 0.000 0.978 49 F HN 0.088 nan 8.300 nan 0.000 0.474 50 R N 0.139 120.650 120.500 0.018 0.000 2.094 50 R HA -0.224 4.116 4.340 -0.000 0.000 0.239 50 R C 2.338 178.490 176.300 -0.247 0.000 1.137 50 R CA 1.794 57.789 56.100 -0.175 0.000 0.943 50 R CB -0.317 29.924 30.300 -0.099 0.000 0.850 50 R HN 0.213 nan 8.270 nan 0.000 0.433 51 Q N -0.099 119.730 119.800 0.049 0.000 2.061 51 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 51 Q C 2.064 178.213 176.000 0.248 0.000 0.984 51 Q CA 1.868 57.822 55.803 0.251 0.000 0.846 51 Q CB -0.486 28.400 28.738 0.247 0.000 0.902 51 Q HN 0.473 nan 8.270 nan 0.000 0.421 52 A N 0.508 123.432 122.820 0.173 0.000 1.978 52 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 52 A C 2.244 179.824 177.584 -0.007 0.000 1.170 52 A CA 1.144 53.189 52.037 0.014 0.000 0.636 52 A CB -0.662 18.180 19.000 -0.264 0.000 0.810 52 A HN 0.338 nan 8.150 nan 0.000 0.448 53 L N -2.099 119.086 121.223 -0.064 0.000 2.141 53 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 53 L C 2.303 179.145 176.870 -0.045 0.000 1.094 53 L CA 0.840 55.635 54.840 -0.076 0.000 0.763 53 L CB -0.464 41.482 42.059 -0.188 0.000 0.908 53 L HN 0.330 nan 8.230 nan 0.000 0.437 54 F N 0.347 120.255 119.950 -0.070 0.000 2.146 54 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 54 F C 2.583 178.398 175.800 0.025 0.000 1.096 54 F CA 1.192 59.066 58.000 -0.211 0.000 1.275 54 F CB -0.595 38.281 39.000 -0.206 0.000 1.008 54 F HN -0.036 nan 8.300 nan 0.000 0.480 55 K N -0.039 120.523 120.400 0.271 0.000 2.026 55 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 55 K C 1.726 178.424 176.600 0.163 0.000 1.048 55 K CA 1.492 57.909 56.287 0.218 0.000 0.929 55 K CB -0.218 32.404 32.500 0.203 0.000 0.713 55 K HN 0.086 nan 8.250 nan 0.000 0.439 56 M N 0.266 119.938 119.600 0.120 0.000 2.682 56 M HA 0.009 4.489 4.480 -0.000 0.000 0.235 56 M C -0.405 175.957 176.300 0.103 0.000 1.114 56 M CA 0.305 55.645 55.300 0.067 0.000 1.053 56 M CB 0.263 32.873 32.600 0.017 0.000 1.599 56 M HN 0.198 nan 8.290 nan 0.000 0.520 57 W N 3.284 124.607 121.300 0.039 0.000 2.349 57 W HA 0.345 5.005 4.660 -0.000 0.000 0.309 57 W C -2.440 174.169 176.519 0.150 0.000 1.083 57 W CA -2.105 55.284 57.345 0.073 0.000 1.224 57 W CB 1.046 30.524 29.460 0.030 0.000 1.256 57 W HN -0.045 nan 8.180 nan 0.000 0.461 58 P HA 0.005 nan 4.420 nan 0.000 0.271 58 P C -0.195 177.164 177.300 0.099 0.000 1.216 58 P CA 0.358 63.389 63.100 -0.115 0.000 0.776 58 P CB 0.899 32.445 31.700 -0.257 0.000 0.881 59 S N 1.734 117.503 115.700 0.115 0.000 4.049 59 S HA -0.118 4.352 4.470 -0.000 0.000 0.368 59 S C -2.283 172.397 174.600 0.134 0.000 0.773 59 S CA -0.740 57.524 58.200 0.107 0.000 1.294 59 S CB -2.036 61.193 63.200 0.049 0.000 1.880 59 S HN 0.463 nan 8.310 nan 0.000 0.482 60 P HA 0.462 nan 4.420 nan 0.000 0.279 60 P C -0.620 176.589 177.300 -0.151 0.000 1.252 60 P CA -0.450 62.501 63.100 -0.248 0.000 0.811 60 P CB 0.554 31.899 31.700 -0.591 0.000 1.035 61 D N 1.770 122.074 120.400 -0.160 0.000 2.557 61 D HA 0.097 4.737 4.640 -0.000 0.000 0.236 61 D C 0.340 176.601 176.300 -0.065 0.000 1.154 61 D CA -0.004 53.856 54.000 -0.233 0.000 0.985 61 D CB 0.408 41.077 40.800 -0.219 0.000 1.010 61 D HN 0.230 nan 8.370 nan 0.000 0.516 62 K N 1.416 121.846 120.400 0.050 0.000 2.478 62 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 62 K C -0.120 176.651 176.600 0.285 0.000 1.033 62 K CA -0.583 55.822 56.287 0.195 0.000 1.091 62 K CB 0.809 33.467 32.500 0.264 0.000 0.844 62 K HN 0.231 nan 8.250 nan 0.000 0.507 63 Y N 3.199 123.484 120.300 -0.024 0.000 2.721 63 Y HA 0.003 4.553 4.550 -0.000 0.000 0.329 63 Y C -1.686 174.019 175.900 -0.324 0.000 1.211 63 Y CA -2.449 55.477 58.100 -0.291 0.000 1.512 63 Y CB -0.472 37.934 38.460 -0.090 0.000 1.249 63 Y HN 0.144 nan 8.280 nan 0.000 0.549 64 P HA 0.082 nan 4.420 nan 0.000 0.279 64 P C -0.635 176.560 177.300 -0.175 0.000 1.239 64 P CA -0.752 62.158 63.100 -0.316 0.000 0.789 64 P CB 0.832 32.224 31.700 -0.512 0.000 0.933 65 K N 1.887 122.241 120.400 -0.077 0.000 2.453 65 K HA -0.043 4.277 4.320 -0.000 0.000 0.280 65 K C -0.449 176.118 176.600 -0.055 0.000 1.045 65 K CA 0.340 56.606 56.287 -0.035 0.000 1.059 65 K CB -0.700 31.792 32.500 -0.013 0.000 0.901 65 K HN 0.440 nan 8.250 nan 0.000 0.475 66 D N 2.502 122.878 120.400 -0.039 0.000 2.927 66 D HA -0.213 4.427 4.640 -0.000 0.000 0.236 66 D C 0.778 177.018 176.300 -0.101 0.000 1.163 66 D CA 0.594 54.565 54.000 -0.048 0.000 0.801 66 D CB -1.249 39.533 40.800 -0.029 0.000 0.975 66 D HN 0.783 nan 8.370 nan 0.000 0.413 67 I N -0.444 120.019 120.570 -0.179 0.000 2.335 67 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 67 I C 0.947 176.945 176.117 -0.198 0.000 1.129 67 I CA 1.184 62.310 61.300 -0.289 0.000 1.402 67 I CB 0.237 37.910 38.000 -0.545 0.000 1.069 67 I HN 0.287 nan 8.210 nan 0.000 0.424 68 L N -0.547 120.590 121.223 -0.143 0.000 2.438 68 L HA 0.463 4.803 4.340 -0.000 0.000 0.270 68 L C -0.983 175.905 176.870 0.030 0.000 0.972 68 L CA 0.022 54.830 54.840 -0.053 0.000 0.831 68 L CB 2.018 44.042 42.059 -0.059 0.000 1.273 68 L HN -0.284 nan 8.230 nan 0.000 0.405 69 T N 4.767 119.353 114.554 0.054 0.000 2.879 69 T HA 0.685 5.035 4.350 -0.000 0.000 0.290 69 T C -1.582 173.197 174.700 0.132 0.000 0.993 69 T CA -0.202 61.930 62.100 0.054 0.000 0.975 69 T CB 0.816 69.683 68.868 -0.002 0.000 0.981 69 T HN 0.515 nan 8.240 nan 0.000 0.439 70 Y N 0.019 120.292 120.300 -0.045 0.000 2.588 70 Y HA 0.826 5.376 4.550 -0.000 0.000 0.343 70 Y C -0.384 175.542 175.900 0.043 0.000 1.065 70 Y CA -1.300 56.785 58.100 -0.024 0.000 1.038 70 Y CB 0.918 39.324 38.460 -0.090 0.000 1.297 70 Y HN 0.574 nan 8.280 nan 0.000 0.467 71 T N -1.121 113.552 114.554 0.199 0.000 2.908 71 T HA 0.479 4.829 4.350 -0.000 0.000 0.290 71 T C -1.047 173.863 174.700 0.350 0.000 1.034 71 T CA -0.931 61.256 62.100 0.146 0.000 1.010 71 T CB 2.210 71.118 68.868 0.067 0.000 1.068 71 T HN 0.859 nan 8.240 nan 0.000 0.481 72 E N 1.195 121.556 120.200 0.268 0.000 2.227 72 E HA 0.443 4.793 4.350 -0.000 0.000 0.282 72 E C -0.948 175.640 176.600 -0.020 0.000 1.015 72 E CA -0.744 55.728 56.400 0.119 0.000 0.823 72 E CB 0.686 30.456 29.700 0.116 0.000 1.081 72 E HN 0.552 nan 8.360 nan 0.000 0.396 73 L N 4.730 125.874 121.223 -0.131 0.000 2.257 73 L HA 0.400 4.740 4.340 -0.000 0.000 0.290 73 L C -0.793 176.001 176.870 -0.127 0.000 1.044 73 L CA -0.763 54.015 54.840 -0.103 0.000 0.810 73 L CB 1.198 43.195 42.059 -0.103 0.000 1.193 73 L HN 0.273 nan 8.230 nan 0.000 0.425 74 V N 4.187 124.056 119.914 -0.076 0.000 2.735 74 V HA 0.439 4.558 4.120 -0.000 0.000 0.310 74 V C 0.043 176.109 176.094 -0.046 0.000 1.061 74 V CA -0.698 61.564 62.300 -0.063 0.000 0.913 74 V CB 2.367 34.170 31.823 -0.033 0.000 1.005 74 V HN 0.516 nan 8.190 nan 0.000 0.428 75 L N 3.674 124.871 121.223 -0.044 0.000 2.326 75 L HA 0.409 4.749 4.340 -0.000 0.000 0.278 75 L C 0.173 177.031 176.870 -0.019 0.000 1.092 75 L CA -0.456 54.365 54.840 -0.031 0.000 0.810 75 L CB 1.056 43.097 42.059 -0.030 0.000 1.153 75 L HN 0.873 nan 8.230 nan 0.000 0.439 76 D N 2.925 123.316 120.400 -0.014 0.000 2.358 76 D HA 0.168 4.808 4.640 -0.000 0.000 0.244 76 D C -2.037 174.260 176.300 -0.005 0.000 1.163 76 D CA -1.955 52.040 54.000 -0.008 0.000 0.945 76 D CB 0.334 41.129 40.800 -0.007 0.000 1.152 76 D HN 0.173 nan 8.370 nan 0.000 0.451 77 P HA -0.106 nan 4.420 nan 0.000 0.228 77 P C 0.869 178.169 177.300 0.001 0.000 1.151 77 P CA 0.925 64.026 63.100 0.002 0.000 0.770 77 P CB 0.101 31.804 31.700 0.004 0.000 0.786 78 Q N -1.542 118.257 119.800 -0.002 0.000 2.403 78 Q HA 0.156 4.495 4.340 -0.000 0.000 0.203 78 Q C 1.252 177.250 176.000 -0.004 0.000 0.932 78 Q CA 0.847 56.648 55.803 -0.002 0.000 0.945 78 Q CB -0.128 28.608 28.738 -0.003 0.000 1.045 78 Q HN 0.287 nan 8.270 nan 0.000 0.511 79 G N 1.471 110.268 108.800 -0.005 0.000 2.132 79 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.234 79 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.234 79 G C -0.136 174.758 174.900 -0.010 0.000 0.989 79 G CA -0.024 45.072 45.100 -0.007 0.000 0.676 79 G HN 0.333 nan 8.290 nan 0.000 0.522 80 Q N -0.862 118.931 119.800 -0.012 0.000 2.274 80 Q HA 0.712 5.052 4.340 -0.000 0.000 0.260 80 Q C 0.033 176.021 176.000 -0.020 0.000 0.974 80 Q CA -0.984 54.810 55.803 -0.015 0.000 0.876 80 Q CB 2.159 30.889 28.738 -0.013 0.000 1.297 80 Q HN 0.245 nan 8.270 nan 0.000 0.446 81 L N 3.089 124.297 121.223 -0.025 0.000 2.410 81 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 81 L C -0.864 175.990 176.870 -0.026 0.000 1.152 81 L CA 0.049 54.870 54.840 -0.032 0.000 0.855 81 L CB 0.848 42.883 42.059 -0.040 0.000 1.129 81 L HN 0.522 nan 8.230 nan 0.000 0.463 82 V N 1.395 121.294 119.914 -0.025 0.000 2.735 82 V HA 0.574 4.694 4.120 -0.000 0.000 0.310 82 V C -0.353 175.731 176.094 -0.016 0.000 1.061 82 V CA -0.896 61.393 62.300 -0.018 0.000 0.913 82 V CB 1.794 33.609 31.823 -0.013 0.000 1.005 82 V HN 0.750 nan 8.190 nan 0.000 0.428 83 E N 4.042 124.236 120.200 -0.009 0.000 2.259 83 E HA 0.488 4.838 4.350 -0.000 0.000 0.281 83 E C -0.788 175.814 176.600 0.004 0.000 1.037 83 E CA -0.115 56.284 56.400 -0.001 0.000 0.854 83 E CB 1.260 30.960 29.700 0.001 0.000 1.051 83 E HN 0.660 nan 8.360 nan 0.000 0.409 84 M N 2.707 122.315 119.600 0.014 0.000 2.395 84 M HA 0.315 4.795 4.480 -0.000 0.000 0.307 84 M C -0.804 175.514 176.300 0.030 0.000 1.091 84 M CA -0.825 54.486 55.300 0.019 0.000 0.919 84 M CB 1.926 34.538 32.600 0.020 0.000 1.662 84 M HN 0.261 nan 8.290 nan 0.000 0.440 85 N N 4.126 122.834 118.700 0.012 0.000 2.558 85 N HA 0.463 5.203 4.740 -0.000 0.000 0.242 85 N C -1.205 174.311 175.510 0.010 0.000 0.979 85 N CA -0.282 52.766 53.050 -0.003 0.000 0.931 85 N CB 1.181 39.652 38.487 -0.027 0.000 1.122 85 N HN 0.694 nan 8.380 nan 0.000 0.508 86 R N 0.741 121.262 120.500 0.035 0.000 2.781 86 R HA 0.542 4.881 4.340 -0.000 0.000 0.269 86 R C -0.902 175.424 176.300 0.043 0.000 1.025 86 R CA -0.855 55.266 56.100 0.035 0.000 0.914 86 R CB 1.055 31.378 30.300 0.039 0.000 1.236 86 R HN 0.085 nan 8.270 nan 0.000 0.465 87 L N 2.068 123.298 121.223 0.012 0.000 2.436 87 L HA 0.376 4.716 4.340 -0.000 0.000 0.265 87 L C -1.532 175.291 176.870 -0.078 0.000 1.168 87 L CA -1.895 52.939 54.840 -0.009 0.000 0.815 87 L CB 0.593 42.641 42.059 -0.018 0.000 1.109 87 L HN 0.601 nan 8.230 nan 0.000 0.462 88 P HA 0.054 nan 4.420 nan 0.000 0.273 88 P C 0.426 177.385 177.300 -0.569 0.000 1.250 88 P CA 0.073 62.886 63.100 -0.478 0.000 0.793 88 P CB 0.505 32.128 31.700 -0.128 0.000 1.011 89 G N -0.568 107.581 108.800 -1.085 0.000 2.203 89 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.263 89 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.263 89 G C 0.595 175.447 174.900 -0.079 0.000 1.012 89 G CA 0.063 45.000 45.100 -0.272 0.000 0.749 89 G HN 0.935 nan 8.290 nan 0.000 0.512 90 G N -0.108 108.609 108.800 -0.138 0.000 4.912 90 G HA2 0.536 4.496 3.960 -0.000 0.000 0.307 90 G HA3 0.536 4.496 3.960 -0.000 0.000 0.307 90 G C -0.081 174.883 174.900 0.107 0.000 1.381 90 G CA 0.068 45.182 45.100 0.023 0.000 1.057 90 G HN 0.902 nan 8.290 nan 0.000 0.593 91 N N -1.077 117.739 118.700 0.192 0.000 2.405 91 N HA 0.410 5.150 4.740 -0.000 0.000 0.299 91 N C 0.082 175.669 175.510 0.128 0.000 1.075 91 N CA -0.874 52.253 53.050 0.129 0.000 0.884 91 N CB 2.144 40.686 38.487 0.091 0.000 1.194 91 N HN -0.172 nan 8.380 nan 0.000 0.491 92 E N 0.840 121.070 120.200 0.049 0.000 2.496 92 E HA 0.145 4.495 4.350 -0.000 0.000 0.200 92 E C -0.711 175.833 176.600 -0.094 0.000 1.016 92 E CA -0.068 56.416 56.400 0.140 0.000 0.962 92 E CB 0.262 30.062 29.700 0.167 0.000 1.071 92 E HN 0.566 nan 8.360 nan 0.000 0.457 93 V N -3.850 115.718 119.914 -0.578 0.000 2.808 93 V HA 0.633 4.753 4.120 -0.000 0.000 0.308 93 V C 0.720 176.137 176.094 -1.128 0.000 1.099 93 V CA -0.948 60.899 62.300 -0.755 0.000 0.920 93 V CB 1.497 33.138 31.823 -0.303 0.000 1.014 93 V HN -0.028 nan 8.190 nan 0.000 0.425 94 G N 2.781 110.899 108.800 -1.138 0.000 3.352 94 G HA2 0.382 4.342 3.960 -0.000 0.000 0.236 94 G HA3 0.382 4.342 3.960 -0.000 0.000 0.236 94 G C -0.270 174.437 174.900 -0.321 0.000 1.324 94 G CA 0.307 45.053 45.100 -0.590 0.000 1.404 94 G HN 0.804 nan 8.290 nan 0.000 0.542 95 M N 0.086 119.499 119.600 -0.313 0.000 2.470 95 M HA 0.607 5.087 4.480 -0.000 0.000 0.285 95 M C -1.498 174.669 176.300 -0.223 0.000 1.213 95 M CA -0.591 54.586 55.300 -0.206 0.000 0.901 95 M CB 2.642 35.155 32.600 -0.146 0.000 1.718 95 M HN -0.148 nan 8.290 nan 0.000 0.469 96 V N 2.474 122.248 119.914 -0.233 0.000 2.789 96 V HA 1.014 5.134 4.120 -0.000 0.000 0.311 96 V C -0.905 174.946 176.094 -0.405 0.000 1.073 96 V CA -0.750 61.322 62.300 -0.380 0.000 0.921 96 V CB 1.655 33.142 31.823 -0.560 0.000 1.009 96 V HN 0.997 nan 8.190 nan 0.000 0.426 97 A N 3.534 126.032 122.820 -0.537 0.000 2.414 97 A HA 0.982 5.302 4.320 -0.000 0.000 0.306 97 A C -1.566 175.647 177.584 -0.619 0.000 1.054 97 A CA -0.362 51.418 52.037 -0.428 0.000 0.724 97 A CB 1.328 20.186 19.000 -0.237 0.000 1.267 97 A HN 0.605 nan 8.150 nan 0.000 0.418 98 F N 0.821 120.718 119.950 -0.089 0.000 2.556 98 F HA 0.489 5.016 4.527 -0.000 0.000 0.314 98 F C 0.311 176.065 175.800 -0.076 0.000 1.106 98 F CA -0.585 57.383 58.000 -0.053 0.000 0.911 98 F CB 2.532 41.465 39.000 -0.112 0.000 1.190 98 F HN 0.516 nan 8.300 nan 0.000 0.448 99 K N 5.346 125.846 120.400 0.168 0.000 2.300 99 K HA 0.473 4.793 4.320 -0.000 0.000 0.264 99 K C -1.112 175.536 176.600 0.081 0.000 1.083 99 K CA -0.178 56.148 56.287 0.066 0.000 0.958 99 K CB 0.383 32.905 32.500 0.037 0.000 1.318 99 K HN 0.741 nan 8.250 nan 0.000 0.448 100 M N 2.697 122.297 119.600 0.001 0.000 2.209 100 M HA 0.202 4.682 4.480 -0.000 0.000 0.355 100 M C -0.351 175.923 176.300 -0.044 0.000 1.171 100 M CA -0.456 54.821 55.300 -0.038 0.000 1.069 100 M CB 1.858 34.323 32.600 -0.225 0.000 1.622 100 M HN 0.322 nan 8.290 nan 0.000 0.459 101 T N 4.952 119.499 114.554 -0.012 0.000 2.772 101 T HA 0.654 5.004 4.350 -0.000 0.000 0.288 101 T C -0.484 174.203 174.700 -0.021 0.000 0.994 101 T CA -0.593 61.496 62.100 -0.018 0.000 0.951 101 T CB 0.473 69.337 68.868 -0.007 0.000 0.933 101 T HN 0.400 nan 8.240 nan 0.000 0.447 102 L N 3.117 124.329 121.223 -0.018 0.000 2.341 102 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 102 L C 0.209 177.104 176.870 0.042 0.000 1.005 102 L CA -0.791 54.047 54.840 -0.004 0.000 0.818 102 L CB 1.484 43.547 42.059 0.007 0.000 1.259 102 L HN 0.325 nan 8.230 nan 0.000 0.418 103 K N 2.274 122.692 120.400 0.029 0.000 2.281 103 K HA 0.572 4.892 4.320 -0.000 0.000 0.272 103 K C -0.292 176.464 176.600 0.260 0.000 1.048 103 K CA -0.428 55.918 56.287 0.097 0.000 0.898 103 K CB 1.480 33.961 32.500 -0.032 0.000 1.128 103 K HN 0.797 nan 8.250 nan 0.000 0.460 104 T N -0.836 113.942 114.554 0.373 0.000 2.907 104 T HA 0.218 4.568 4.350 -0.000 0.000 0.290 104 T C 0.838 175.656 174.700 0.197 0.000 1.066 104 T CA -0.976 61.329 62.100 0.341 0.000 1.012 104 T CB 1.024 69.999 68.868 0.180 0.000 1.184 104 T HN 0.361 nan 8.240 nan 0.000 0.522 105 L N 0.583 121.717 121.223 -0.149 0.000 2.083 105 L HA 0.079 4.419 4.340 -0.000 0.000 0.209 105 L C 2.157 178.895 176.870 -0.221 0.000 1.083 105 L CA 1.973 56.603 54.840 -0.351 0.000 0.752 105 L CB -1.024 40.789 42.059 -0.409 0.000 0.899 105 L HN 0.788 nan 8.230 nan 0.000 0.433 106 E N -1.216 118.857 120.200 -0.211 0.000 2.158 106 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 106 E C -0.391 175.809 176.600 -0.666 0.000 0.982 106 E CA 1.020 57.172 56.400 -0.413 0.000 0.823 106 E CB 0.011 29.465 29.700 -0.410 0.000 0.766 106 E HN 0.581 nan 8.360 nan 0.000 0.468 107 Y N -1.210 119.112 120.300 0.037 0.000 2.609 107 Y HA 0.276 4.826 4.550 -0.000 0.000 0.350 107 Y C -2.102 173.866 175.900 0.114 0.000 1.050 107 Y CA -2.372 55.764 58.100 0.060 0.000 1.290 107 Y CB 1.626 40.113 38.460 0.046 0.000 1.094 107 Y HN -0.002 nan 8.280 nan 0.000 0.583 108 P HA -0.075 nan 4.420 nan 0.000 0.225 108 P C 1.039 178.467 177.300 0.213 0.000 1.156 108 P CA 1.236 64.521 63.100 0.310 0.000 0.787 108 P CB 0.606 32.482 31.700 0.294 0.000 0.802 109 E N -0.475 119.827 120.200 0.170 0.000 2.489 109 E HA 0.259 4.608 4.350 -0.000 0.000 0.193 109 E C 1.040 177.694 176.600 0.090 0.000 1.057 109 E CA 0.358 56.825 56.400 0.110 0.000 0.866 109 E CB -0.196 29.560 29.700 0.092 0.000 0.916 109 E HN 0.148 nan 8.360 nan 0.000 0.500 110 G N 1.658 110.534 108.800 0.126 0.000 2.592 110 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.685 110 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.685 110 G C -0.723 174.194 174.900 0.027 0.000 1.278 110 G CA -0.597 44.549 45.100 0.078 0.000 0.822 110 G HN 0.192 nan 8.290 nan 0.000 0.652 111 R N 0.426 120.925 120.500 -0.002 0.000 2.807 111 R HA 0.806 5.146 4.340 -0.000 0.000 0.276 111 R C -1.597 174.658 176.300 -0.075 0.000 0.979 111 R CA -1.066 54.967 56.100 -0.112 0.000 0.928 111 R CB 2.234 32.470 30.300 -0.107 0.000 1.191 111 R HN 0.314 nan 8.270 nan 0.000 0.471 112 D N 2.583 122.923 120.400 -0.099 0.000 2.185 112 D HA 0.507 5.147 4.640 -0.000 0.000 0.247 112 D C -0.036 176.221 176.300 -0.071 0.000 1.027 112 D CA -0.354 53.601 54.000 -0.074 0.000 0.861 112 D CB 1.948 42.708 40.800 -0.067 0.000 1.202 112 D HN 0.612 nan 8.370 nan 0.000 0.453 113 I N -2.174 118.350 120.570 -0.077 0.000 3.074 113 I HA 0.567 4.737 4.170 -0.000 0.000 0.310 113 I C -1.368 174.695 176.117 -0.090 0.000 1.153 113 I CA -0.995 60.255 61.300 -0.084 0.000 0.993 113 I CB 2.240 40.178 38.000 -0.104 0.000 1.237 113 I HN -0.010 nan 8.210 nan 0.000 0.443 114 I N 4.146 124.664 120.570 -0.087 0.000 2.406 114 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 114 I C -0.678 175.380 176.117 -0.098 0.000 0.999 114 I CA -0.736 60.514 61.300 -0.084 0.000 1.124 114 I CB 1.645 39.593 38.000 -0.088 0.000 1.289 114 I HN 0.545 nan 8.210 nan 0.000 0.441 115 L N 7.736 128.908 121.223 -0.085 0.000 2.294 115 L HA 0.563 4.903 4.340 -0.000 0.000 0.283 115 L C -0.801 176.049 176.870 -0.034 0.000 1.015 115 L CA -0.485 54.307 54.840 -0.081 0.000 0.831 115 L CB 1.199 43.179 42.059 -0.132 0.000 1.217 115 L HN 0.450 nan 8.230 nan 0.000 0.420 116 I N 2.973 123.533 120.570 -0.017 0.000 2.474 116 I HA 0.483 4.652 4.170 -0.000 0.000 0.294 116 I C -0.126 176.066 176.117 0.125 0.000 1.005 116 I CA -0.300 61.016 61.300 0.026 0.000 1.113 116 I CB 2.093 40.078 38.000 -0.024 0.000 1.289 116 I HN 0.421 nan 8.210 nan 0.000 0.436 117 S N 4.258 119.992 115.700 0.057 0.000 2.537 117 S HA 0.462 4.932 4.470 -0.000 0.000 0.270 117 S C -1.108 173.486 174.600 -0.011 0.000 1.142 117 S CA -0.855 57.332 58.200 -0.022 0.000 0.870 117 S CB 1.377 64.487 63.200 -0.150 0.000 1.112 117 S HN 0.614 nan 8.310 nan 0.000 0.466 118 N N 2.035 120.718 118.700 -0.029 0.000 2.483 118 N HA 0.186 4.926 4.740 -0.000 0.000 0.269 118 N C -1.188 174.290 175.510 -0.053 0.000 1.209 118 N CA -0.102 52.900 53.050 -0.080 0.000 0.969 118 N CB 0.857 39.276 38.487 -0.114 0.000 1.173 118 N HN 0.649 nan 8.380 nan 0.000 0.475 119 D N 1.162 121.533 120.400 -0.047 0.000 2.458 119 D HA 0.197 4.837 4.640 -0.000 0.000 0.258 119 D C 0.891 177.262 176.300 0.117 0.000 1.134 119 D CA -0.467 53.559 54.000 0.043 0.000 0.915 119 D CB -0.023 40.814 40.800 0.061 0.000 1.028 119 D HN 0.415 nan 8.370 nan 0.000 0.508 120 I N 2.192 122.825 120.570 0.106 0.000 2.597 120 I HA -0.261 3.909 4.170 -0.000 0.000 0.262 120 I C 1.878 178.078 176.117 0.139 0.000 1.194 120 I CA 1.761 63.123 61.300 0.103 0.000 1.437 120 I CB 0.208 38.254 38.000 0.078 0.000 1.096 120 I HN 0.509 nan 8.210 nan 0.000 0.451 121 T N -3.063 111.614 114.554 0.204 0.000 3.060 121 T HA 0.028 4.378 4.350 -0.000 0.000 0.249 121 T C 0.431 175.251 174.700 0.199 0.000 1.079 121 T CA -0.225 61.991 62.100 0.194 0.000 1.013 121 T CB -0.286 68.716 68.868 0.223 0.000 0.975 121 T HN 0.118 nan 8.240 nan 0.000 0.518 122 F N 3.709 123.711 119.950 0.088 0.000 2.308 122 F HA 0.511 5.038 4.527 -0.000 0.000 0.370 122 F C 0.444 176.265 175.800 0.035 0.000 1.100 122 F CA -1.652 56.388 58.000 0.065 0.000 1.108 122 F CB 0.265 39.306 39.000 0.068 0.000 1.293 122 F HN -0.000 nan 8.300 nan 0.000 0.478 123 R N 5.872 126.407 120.500 0.059 0.000 3.322 123 R HA -0.272 4.068 4.340 -0.000 0.000 0.253 123 R C 0.680 177.043 176.300 0.105 0.000 0.987 123 R CA 0.947 57.092 56.100 0.075 0.000 0.666 123 R CB -2.135 28.249 30.300 0.140 0.000 1.072 123 R HN 1.000 nan 8.270 nan 0.000 0.447 124 I N -0.994 119.631 120.570 0.090 0.000 6.450 124 I HA -0.343 3.827 4.170 -0.000 0.000 0.126 124 I C 0.977 177.138 176.117 0.073 0.000 1.777 124 I CA 1.586 62.934 61.300 0.080 0.000 2.236 124 I CB -0.877 37.161 38.000 0.063 0.000 3.397 124 I HN 0.823 nan 8.210 nan 0.000 0.226 125 G N 1.704 110.550 108.800 0.078 0.000 2.187 125 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 125 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 125 G C 0.410 175.261 174.900 -0.081 0.000 1.000 125 G CA 0.781 45.874 45.100 -0.011 0.000 0.718 125 G HN 1.605 nan 8.290 nan 0.000 0.519 126 S N -0.658 115.055 115.700 0.022 0.000 2.568 126 S HA 0.552 5.021 4.470 -0.000 0.000 0.282 126 S C 0.032 174.653 174.600 0.034 0.000 1.338 126 S CA -0.450 57.799 58.200 0.081 0.000 1.045 126 S CB 0.818 64.085 63.200 0.112 0.000 0.873 126 S HN 0.367 nan 8.310 nan 0.000 0.516 127 F N 1.984 121.954 119.950 0.032 0.000 2.390 127 F HA 0.561 5.088 4.527 0.000 0.000 0.361 127 F C 1.211 177.017 175.800 0.011 0.000 1.124 127 F CA 0.107 58.110 58.000 0.006 0.000 1.149 127 F CB 0.630 39.613 39.000 -0.029 0.000 1.160 127 F HN 0.928 nan 8.300 nan 0.000 0.501 128 G N 3.771 112.665 108.800 0.156 0.000 2.795 128 G HA2 0.391 4.351 3.960 -0.000 0.000 0.267 128 G HA3 0.391 4.351 3.960 -0.000 0.000 0.267 128 G C -1.901 173.051 174.900 0.086 0.000 1.362 128 G CA -1.202 43.963 45.100 0.109 0.000 1.048 128 G HN 0.295 nan 8.290 nan 0.000 0.547 129 P HA -0.120 nan 4.420 nan 0.000 0.213 129 P C 1.929 179.250 177.300 0.034 0.000 1.170 129 P CA 2.172 65.297 63.100 0.042 0.000 0.902 129 P CB -0.251 31.468 31.700 0.033 0.000 0.789 130 G N -0.241 108.572 108.800 0.021 0.000 2.422 130 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 130 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 130 G C 1.469 176.359 174.900 -0.016 0.000 1.140 130 G CA 0.648 45.745 45.100 -0.004 0.000 0.775 130 G HN 0.236 nan 8.290 nan 0.000 0.545 131 E N 0.991 121.180 120.200 -0.018 0.000 2.077 131 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 131 E C 2.163 178.808 176.600 0.076 0.000 0.989 131 E CA 1.209 57.589 56.400 -0.034 0.000 0.800 131 E CB -0.096 29.547 29.700 -0.095 0.000 0.746 131 E HN 0.331 nan 8.360 nan 0.000 0.452 132 D N -0.140 120.333 120.400 0.122 0.000 2.144 132 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 132 D C 1.908 178.267 176.300 0.098 0.000 0.978 132 D CA 0.631 54.706 54.000 0.126 0.000 0.833 132 D CB -0.045 40.802 40.800 0.079 0.000 0.961 132 D HN 0.088 nan 8.370 nan 0.000 0.470 133 L N 0.828 122.086 121.223 0.058 0.000 2.109 133 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 133 L C 2.019 178.907 176.870 0.031 0.000 1.086 133 L CA 1.037 55.900 54.840 0.037 0.000 0.760 133 L CB -0.523 41.545 42.059 0.015 0.000 0.910 133 L HN -0.046 nan 8.230 nan 0.000 0.437 134 L N -1.794 119.443 121.223 0.023 0.000 2.291 134 L HA -0.167 4.172 4.340 -0.000 0.000 0.214 134 L C 2.164 179.046 176.870 0.020 0.000 1.120 134 L CA 1.520 56.356 54.840 -0.007 0.000 0.799 134 L CB -0.730 41.300 42.059 -0.049 0.000 0.925 134 L HN 0.439 nan 8.230 nan 0.000 0.446 135 Y N -1.095 119.172 120.300 -0.055 0.000 2.314 135 Y HA -0.122 4.428 4.550 -0.000 0.000 0.294 135 Y C 2.234 178.090 175.900 -0.072 0.000 1.119 135 Y CA 1.645 59.703 58.100 -0.070 0.000 1.179 135 Y CB -0.010 38.418 38.460 -0.053 0.000 1.025 135 Y HN 0.232 nan 8.280 nan 0.000 0.541 136 L N 0.318 121.633 121.223 0.153 0.000 2.093 136 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 136 L C 2.159 179.016 176.870 -0.021 0.000 1.085 136 L CA 1.538 56.421 54.840 0.071 0.000 0.755 136 L CB -0.383 41.720 42.059 0.073 0.000 0.904 136 L HN 0.010 nan 8.230 nan 0.000 0.435 137 R N -0.146 120.337 120.500 -0.028 0.000 2.119 137 R HA 0.138 4.478 4.340 -0.000 0.000 0.222 137 R C 2.155 178.409 176.300 -0.076 0.000 1.088 137 R CA 1.118 57.191 56.100 -0.046 0.000 0.984 137 R CB -0.989 29.290 30.300 -0.034 0.000 0.884 137 R HN 0.498 nan 8.270 nan 0.000 0.447 138 A N 0.283 123.036 122.820 -0.112 0.000 2.016 138 A HA -0.012 4.307 4.320 -0.000 0.000 0.217 138 A C 2.276 179.759 177.584 -0.167 0.000 1.162 138 A CA 1.123 53.077 52.037 -0.138 0.000 0.662 138 A CB -0.171 18.730 19.000 -0.164 0.000 0.812 138 A HN 0.172 nan 8.150 nan 0.000 0.450 139 S N -0.336 115.234 115.700 -0.216 0.000 2.357 139 S HA -0.117 4.353 4.470 -0.000 0.000 0.221 139 S C 1.849 176.378 174.600 -0.118 0.000 1.031 139 S CA 1.422 59.493 58.200 -0.215 0.000 0.982 139 S CB -0.218 62.817 63.200 -0.274 0.000 0.853 139 S HN 0.701 nan 8.310 nan 0.000 0.458 140 E N 0.661 120.810 120.200 -0.086 0.000 2.118 140 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 140 E C 1.985 178.551 176.600 -0.056 0.000 0.992 140 E CA 0.836 57.202 56.400 -0.057 0.000 0.804 140 E CB -0.171 29.504 29.700 -0.041 0.000 0.741 140 E HN 0.235 nan 8.360 nan 0.000 0.458 141 L N 0.474 121.659 121.223 -0.064 0.000 2.093 141 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 141 L C 2.095 178.931 176.870 -0.058 0.000 1.085 141 L CA 1.865 56.672 54.840 -0.056 0.000 0.755 141 L CB -0.450 41.575 42.059 -0.058 0.000 0.904 141 L HN 0.051 nan 8.230 nan 0.000 0.435 142 A N -0.810 121.967 122.820 -0.071 0.000 1.930 142 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 142 A C 2.492 180.044 177.584 -0.054 0.000 1.175 142 A CA 1.350 53.347 52.037 -0.066 0.000 0.627 142 A CB -0.491 18.461 19.000 -0.081 0.000 0.815 142 A HN 0.432 nan 8.150 nan 0.000 0.443 143 R N -0.624 119.844 120.500 -0.054 0.000 2.064 143 R HA -0.079 4.261 4.340 -0.000 0.000 0.228 143 R C 2.538 178.815 176.300 -0.038 0.000 1.144 143 R CA 1.310 57.384 56.100 -0.043 0.000 0.932 143 R CB -0.504 29.772 30.300 -0.040 0.000 0.833 143 R HN 0.466 nan 8.270 nan 0.000 0.429 144 A N 1.222 124.020 122.820 -0.037 0.000 1.917 144 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 144 A C 1.770 179.334 177.584 -0.032 0.000 1.182 144 A CA 1.733 53.750 52.037 -0.032 0.000 0.633 144 A CB -0.408 18.573 19.000 -0.031 0.000 0.819 144 A HN 0.452 nan 8.150 nan 0.000 0.448 145 E N -1.695 118.483 120.200 -0.037 0.000 2.435 145 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 145 E C 1.145 177.721 176.600 -0.040 0.000 1.029 145 E CA 0.238 56.615 56.400 -0.038 0.000 0.865 145 E CB -0.171 29.504 29.700 -0.041 0.000 0.833 145 E HN 0.759 nan 8.360 nan 0.000 0.510 146 G N 2.549 111.325 108.800 -0.039 0.000 2.225 146 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 146 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 146 G C 0.329 175.205 174.900 -0.041 0.000 1.024 146 G CA 0.907 45.983 45.100 -0.038 0.000 0.784 146 G HN 0.416 nan 8.290 nan 0.000 0.507 147 I N -3.294 117.250 120.570 -0.044 0.000 2.924 147 I HA 0.815 4.985 4.170 -0.000 0.000 0.316 147 I C -2.270 173.827 176.117 -0.033 0.000 1.014 147 I CA -3.431 57.842 61.300 -0.046 0.000 1.106 147 I CB 1.325 39.291 38.000 -0.057 0.000 1.311 147 I HN -0.151 nan 8.210 nan 0.000 0.502 148 P HA 0.118 nan 4.420 nan 0.000 0.269 148 P C -1.210 176.079 177.300 -0.018 0.000 1.209 148 P CA -0.251 62.849 63.100 -0.000 0.000 0.776 148 P CB 0.430 32.145 31.700 0.026 0.000 0.876 149 R N 3.128 123.624 120.500 -0.007 0.000 2.337 149 R HA 0.389 4.729 4.340 -0.000 0.000 0.319 149 R C -1.695 174.612 176.300 0.012 0.000 0.954 149 R CA -0.602 55.479 56.100 -0.031 0.000 0.840 149 R CB 0.753 31.014 30.300 -0.065 0.000 1.164 149 R HN 0.239 nan 8.270 nan 0.000 0.472 150 V N 5.936 125.851 119.914 0.002 0.000 2.370 150 V HA 0.303 4.423 4.120 -0.000 0.000 0.283 150 V C -0.864 175.277 176.094 0.078 0.000 1.023 150 V CA -0.840 61.485 62.300 0.042 0.000 0.857 150 V CB 1.032 32.867 31.823 0.020 0.000 0.985 150 V HN 0.616 nan 8.190 nan 0.000 0.443 151 Y N 6.057 126.339 120.300 -0.030 0.000 2.331 151 Y HA 0.685 5.235 4.550 -0.000 0.000 0.334 151 Y C -0.795 175.078 175.900 -0.044 0.000 0.960 151 Y CA -1.377 56.714 58.100 -0.016 0.000 1.130 151 Y CB 1.527 40.041 38.460 0.088 0.000 1.164 151 Y HN 0.573 nan 8.280 nan 0.000 0.458 152 L N 6.840 127.765 121.223 -0.496 0.000 2.262 152 L HA 0.716 5.056 4.340 -0.000 0.000 0.288 152 L C 0.020 176.426 176.870 -0.773 0.000 1.035 152 L CA -0.945 53.526 54.840 -0.614 0.000 0.820 152 L CB 1.139 42.770 42.059 -0.714 0.000 1.204 152 L HN 0.810 nan 8.230 nan 0.000 0.424 153 A N 3.636 126.037 122.820 -0.698 0.000 2.269 153 A HA 0.774 5.094 4.320 -0.000 0.000 0.302 153 A C 0.353 177.817 177.584 -0.201 0.000 1.266 153 A CA -0.200 51.554 52.037 -0.472 0.000 0.894 153 A CB 0.599 19.404 19.000 -0.326 0.000 1.147 153 A HN 0.819 nan 8.150 nan 0.000 0.537 154 A N 4.342 127.093 122.820 -0.114 0.000 3.307 154 A HA 0.485 4.804 4.320 -0.000 0.000 0.289 154 A C -0.276 177.296 177.584 -0.019 0.000 1.138 154 A CA -0.585 51.425 52.037 -0.045 0.000 0.860 154 A CB 0.006 19.009 19.000 0.005 0.000 1.318 154 A HN 0.953 nan 8.150 nan 0.000 0.551 155 N N -1.270 117.436 118.700 0.011 0.000 3.091 155 N HA 0.520 5.260 4.740 -0.000 0.000 0.329 155 N C -0.195 175.369 175.510 0.089 0.000 1.430 155 N CA -0.650 52.424 53.050 0.041 0.000 0.755 155 N CB 1.484 40.047 38.487 0.126 0.000 1.626 155 N HN -0.054 nan 8.380 nan 0.000 0.614 156 S N -1.558 114.225 115.700 0.139 0.000 3.009 156 S HA 0.436 4.906 4.470 -0.000 0.000 0.254 156 S C 0.482 175.197 174.600 0.191 0.000 1.004 156 S CA 0.069 58.353 58.200 0.139 0.000 1.119 156 S CB -0.054 63.208 63.200 0.102 0.000 1.075 156 S HN 1.140 nan 8.310 nan 0.000 0.618 157 G N 2.144 111.133 108.800 0.316 0.000 2.750 157 G HA2 0.054 4.014 3.960 -0.000 0.000 0.228 157 G HA3 0.054 4.014 3.960 -0.000 0.000 0.228 157 G C 0.010 175.083 174.900 0.289 0.000 1.367 157 G CA -0.624 44.625 45.100 0.248 0.000 0.871 157 G HN 1.090 nan 8.290 nan 0.000 0.560 158 A N 0.068 122.954 122.820 0.110 0.000 2.546 158 A HA 0.503 4.823 4.320 -0.000 0.000 0.243 158 A C 1.106 178.757 177.584 0.111 0.000 1.063 158 A CA 1.220 53.317 52.037 0.100 0.000 0.757 158 A CB 0.065 19.071 19.000 0.010 0.000 0.991 158 A HN 1.182 nan 8.150 nan 0.000 0.503 159 R N 1.696 122.270 120.500 0.124 0.000 2.489 159 R HA 0.361 4.701 4.340 -0.000 0.000 0.287 159 R C -0.213 176.124 176.300 0.060 0.000 1.053 159 R CA 0.018 56.175 56.100 0.095 0.000 1.036 159 R CB -0.008 30.353 30.300 0.102 0.000 0.966 159 R HN 0.745 nan 8.270 nan 0.000 0.432 160 I N 0.564 121.163 120.570 0.049 0.000 2.693 160 I HA 0.875 5.045 4.170 -0.000 0.000 0.303 160 I C -0.239 175.893 176.117 0.024 0.000 1.025 160 I CA -0.578 60.740 61.300 0.030 0.000 1.086 160 I CB 2.563 40.578 38.000 0.026 0.000 1.268 160 I HN 0.653 nan 8.210 nan 0.000 0.440 161 G N 4.570 113.376 108.800 0.011 0.000 2.601 161 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 161 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 161 G C -1.882 173.009 174.900 -0.014 0.000 1.456 161 G CA -0.879 44.224 45.100 0.003 0.000 0.804 161 G HN 0.692 nan 8.290 nan 0.000 0.499 162 L N 0.324 121.534 121.223 -0.023 0.000 2.341 162 L HA 0.722 5.062 4.340 -0.000 0.000 0.267 162 L C 0.684 177.522 176.870 -0.052 0.000 1.009 162 L CA -1.270 53.543 54.840 -0.046 0.000 0.819 162 L CB 2.331 44.357 42.059 -0.056 0.000 1.323 162 L HN 0.743 nan 8.230 nan 0.000 0.425 163 A N 1.297 124.074 122.820 -0.072 0.000 2.666 163 A HA 0.126 4.446 4.320 -0.000 0.000 0.301 163 A C 0.975 178.504 177.584 -0.091 0.000 1.470 163 A CA -0.181 51.815 52.037 -0.069 0.000 1.159 163 A CB -0.208 18.749 19.000 -0.072 0.000 1.116 163 A HN 0.785 nan 8.150 nan 0.000 0.548 164 E N 2.029 122.182 120.200 -0.078 0.000 2.153 164 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 164 E C 1.547 178.062 176.600 -0.142 0.000 0.988 164 E CA 1.823 58.149 56.400 -0.123 0.000 0.811 164 E CB 0.143 29.834 29.700 -0.014 0.000 0.746 164 E HN 0.966 nan 8.360 nan 0.000 0.466 165 E N 0.833 121.010 120.200 -0.038 0.000 2.028 165 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 165 E C 2.019 178.623 176.600 0.007 0.000 0.988 165 E CA 0.860 57.269 56.400 0.016 0.000 0.799 165 E CB -0.312 29.397 29.700 0.016 0.000 0.755 165 E HN 0.143 nan 8.360 nan 0.000 0.447 166 I N 1.372 121.934 120.570 -0.015 0.000 2.614 166 I HA -0.142 4.028 4.170 -0.000 0.000 0.258 166 I C 2.279 178.452 176.117 0.094 0.000 1.189 166 I CA 1.136 62.450 61.300 0.024 0.000 1.462 166 I CB -0.868 37.120 38.000 -0.019 0.000 1.092 166 I HN 0.176 nan 8.210 nan 0.000 0.442 167 K N 0.881 121.260 120.400 -0.035 0.000 2.026 167 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 167 K C 1.694 178.332 176.600 0.064 0.000 1.048 167 K CA 1.307 57.585 56.287 -0.014 0.000 0.929 167 K CB -0.018 32.284 32.500 -0.330 0.000 0.713 167 K HN 0.375 nan 8.250 nan 0.000 0.439 168 H N -0.230 118.922 119.070 0.137 0.000 2.533 168 H HA 0.053 4.609 4.556 0.000 0.000 0.271 168 H C 1.338 176.678 175.328 0.019 0.000 1.000 168 H CA 0.860 56.940 56.048 0.053 0.000 1.149 168 H CB 0.194 29.976 29.762 0.033 0.000 1.375 168 H HN 0.476 nan 8.280 nan 0.000 0.582 169 M N -1.672 118.000 119.600 0.121 0.000 2.279 169 M HA 0.187 4.667 4.480 -0.000 0.000 0.278 169 M C 0.356 176.665 176.300 0.014 0.000 1.142 169 M CA -0.380 54.956 55.300 0.061 0.000 1.119 169 M CB 0.224 32.871 32.600 0.079 0.000 1.741 169 M HN -0.094 nan 8.290 nan 0.000 0.601 170 F N 2.758 122.669 119.950 -0.065 0.000 2.589 170 F HA 0.463 4.990 4.527 -0.000 0.000 0.352 170 F C -0.178 175.500 175.800 -0.203 0.000 1.168 170 F CA -0.499 57.430 58.000 -0.119 0.000 1.353 170 F CB 0.290 39.227 39.000 -0.106 0.000 1.116 170 F HN 0.139 nan 8.300 nan 0.000 0.608 171 Q N 2.480 122.039 119.800 -0.401 0.000 2.297 171 Q HA 0.591 4.931 4.340 -0.000 0.000 0.268 171 Q C -1.101 174.547 176.000 -0.587 0.000 1.045 171 Q CA -1.078 54.310 55.803 -0.691 0.000 0.861 171 Q CB 2.360 30.436 28.738 -1.103 0.000 1.344 171 Q HN 0.670 nan 8.270 nan 0.000 0.452 172 V N 1.030 120.622 119.914 -0.538 0.000 2.384 172 V HA 0.522 4.642 4.120 -0.000 0.000 0.287 172 V C -0.369 175.438 176.094 -0.479 0.000 1.020 172 V CA -0.826 61.147 62.300 -0.544 0.000 0.850 172 V CB 1.325 32.619 31.823 -0.882 0.000 0.987 172 V HN 0.806 nan 8.190 nan 0.000 0.436 173 A N 5.712 128.351 122.820 -0.303 0.000 2.366 173 A HA 0.550 4.870 4.320 -0.000 0.000 0.322 173 A C -0.534 176.800 177.584 -0.418 0.000 1.397 173 A CA -0.490 51.357 52.037 -0.317 0.000 0.984 173 A CB -0.044 18.487 19.000 -0.782 0.000 1.149 173 A HN 0.824 nan 8.150 nan 0.000 0.540 174 W N 1.661 122.903 121.300 -0.096 0.000 2.126 174 W HA 0.326 4.986 4.660 -0.000 0.000 0.346 174 W C 1.619 178.087 176.519 -0.086 0.000 1.279 174 W CA 0.021 57.322 57.345 -0.074 0.000 1.259 174 W CB 0.911 30.347 29.460 -0.038 0.000 1.133 174 W HN 0.594 nan 8.180 nan 0.000 0.592 175 V N -0.953 119.094 119.914 0.222 0.000 2.649 175 V HA 0.020 4.140 4.120 -0.000 0.000 0.248 175 V C 0.023 176.181 176.094 0.106 0.000 1.054 175 V CA 1.554 63.920 62.300 0.111 0.000 1.073 175 V CB -0.157 31.716 31.823 0.084 0.000 0.699 175 V HN 0.512 nan 8.190 nan 0.000 0.463 176 D N 1.183 121.659 120.400 0.126 0.000 2.402 176 D HA 0.350 4.990 4.640 -0.000 0.000 0.252 176 D C -2.387 173.922 176.300 0.016 0.000 1.294 176 D CA -1.115 52.921 54.000 0.060 0.000 0.948 176 D CB 2.156 42.971 40.800 0.025 0.000 1.202 176 D HN 0.241 nan 8.370 nan 0.000 0.561 177 P HA -0.014 nan 4.420 nan 0.000 0.242 177 P C 0.966 178.163 177.300 -0.171 0.000 1.197 177 P CA 0.340 63.400 63.100 -0.066 0.000 0.765 177 P CB 0.958 32.734 31.700 0.128 0.000 0.936 178 E N 0.470 120.602 120.200 -0.113 0.000 2.028 178 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 178 E C 0.685 177.208 176.600 -0.129 0.000 0.988 178 E CA 1.110 57.452 56.400 -0.096 0.000 0.799 178 E CB -0.503 29.167 29.700 -0.051 0.000 0.755 178 E HN 0.135 nan 8.360 nan 0.000 0.447 179 D N -2.500 117.814 120.400 -0.145 0.000 3.097 179 D HA -0.081 4.559 4.640 -0.000 0.000 0.209 179 D C -2.018 174.129 176.300 -0.255 0.000 1.054 179 D CA 0.646 54.565 54.000 -0.135 0.000 0.974 179 D CB -1.573 39.184 40.800 -0.072 0.000 1.073 179 D HN 0.135 nan 8.370 nan 0.000 0.437 180 P HA -0.122 nan 4.420 nan 0.000 0.224 180 P C 1.257 178.234 177.300 -0.538 0.000 1.142 180 P CA 0.834 63.302 63.100 -1.052 0.000 0.778 180 P CB -0.071 30.598 31.700 -1.719 0.000 0.764 181 H N -0.536 118.377 119.070 -0.260 0.000 2.518 181 H HA -0.033 4.523 4.556 -0.000 0.000 0.289 181 H C 1.795 177.112 175.328 -0.018 0.000 1.051 181 H CA 0.962 56.951 56.048 -0.098 0.000 1.280 181 H CB 0.144 29.860 29.762 -0.077 0.000 1.380 181 H HN 0.098 nan 8.280 nan 0.000 0.566 182 K N 0.510 120.952 120.400 0.071 0.000 2.209 182 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 182 K C 1.034 177.708 176.600 0.124 0.000 1.048 182 K CA 0.879 57.219 56.287 0.088 0.000 0.940 182 K CB 0.062 32.603 32.500 0.068 0.000 0.729 182 K HN 0.508 nan 8.250 nan 0.000 0.451 183 G N 0.123 109.038 108.800 0.191 0.000 2.343 183 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.562 183 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.562 183 G C -1.232 173.855 174.900 0.313 0.000 1.269 183 G CA -0.799 44.437 45.100 0.227 0.000 1.011 183 G HN 0.049 nan 8.290 nan 0.000 0.498 184 I N 0.546 121.202 120.570 0.142 0.000 2.404 184 I HA 0.482 4.652 4.170 -0.000 0.000 0.293 184 I C 1.140 177.247 176.117 -0.018 0.000 0.992 184 I CA -0.951 60.340 61.300 -0.015 0.000 1.149 184 I CB 1.882 39.819 38.000 -0.104 0.000 1.315 184 I HN 0.495 nan 8.210 nan 0.000 0.446 185 K N 4.631 124.968 120.400 -0.105 0.000 2.063 185 K HA 0.116 4.436 4.320 -0.000 0.000 0.204 185 K C -0.423 176.210 176.600 0.056 0.000 1.039 185 K CA 1.515 57.765 56.287 -0.062 0.000 0.957 185 K CB 0.379 32.745 32.500 -0.223 0.000 0.764 185 K HN 0.683 nan 8.250 nan 0.000 0.447 186 Y N -2.434 117.872 120.300 0.010 0.000 2.713 186 Y HA 0.475 5.025 4.550 0.000 0.000 0.335 186 Y C -1.085 174.852 175.900 0.061 0.000 1.222 186 Y CA -1.486 56.631 58.100 0.029 0.000 1.061 186 Y CB 0.687 39.173 38.460 0.043 0.000 1.314 186 Y HN -0.243 nan 8.280 nan 0.000 0.453 187 L N 2.764 124.169 121.223 0.304 0.000 2.334 187 L HA 0.643 4.983 4.340 -0.000 0.000 0.275 187 L C -0.817 176.300 176.870 0.412 0.000 1.036 187 L CA -1.013 53.972 54.840 0.242 0.000 0.807 187 L CB 1.446 43.576 42.059 0.118 0.000 1.231 187 L HN 0.895 nan 8.230 nan 0.000 0.438 188 Y N 0.637 121.091 120.300 0.256 0.000 2.728 188 Y HA 0.780 5.330 4.550 0.000 0.000 0.330 188 Y C -1.539 174.494 175.900 0.222 0.000 1.234 188 Y CA -1.428 56.816 58.100 0.239 0.000 1.070 188 Y CB 1.302 39.923 38.460 0.269 0.000 1.300 188 Y HN 0.252 nan 8.280 nan 0.000 0.467 189 L N 1.960 123.441 121.223 0.430 0.000 2.342 189 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 189 L C -0.057 177.099 176.870 0.478 0.000 1.008 189 L CA -1.134 53.910 54.840 0.340 0.000 0.818 189 L CB 2.490 44.754 42.059 0.342 0.000 1.296 189 L HN 0.948 nan 8.230 nan 0.000 0.427 190 T N -1.880 112.873 114.554 0.332 0.000 2.898 190 T HA 0.190 4.540 4.350 -0.000 0.000 0.301 190 T C -1.663 173.248 174.700 0.351 0.000 1.049 190 T CA -1.464 60.831 62.100 0.325 0.000 1.095 190 T CB 1.005 69.995 68.868 0.204 0.000 0.976 190 T HN 0.429 nan 8.240 nan 0.000 0.539 191 P HA -0.187 nan 4.420 nan 0.000 0.216 191 P C 1.534 178.979 177.300 0.241 0.000 1.150 191 P CA 1.219 64.554 63.100 0.391 0.000 0.843 191 P CB 0.134 32.025 31.700 0.319 0.000 0.787 192 Q N -0.233 119.674 119.800 0.178 0.000 2.014 192 Q HA -0.193 4.147 4.340 -0.000 0.000 0.207 192 Q C 1.965 178.025 176.000 0.101 0.000 0.993 192 Q CA 2.005 57.879 55.803 0.119 0.000 0.850 192 Q CB -0.367 28.431 28.738 0.100 0.000 0.916 192 Q HN 0.244 nan 8.270 nan 0.000 0.417 193 D N -0.964 119.506 120.400 0.117 0.000 2.178 193 D HA -0.155 4.485 4.640 -0.000 0.000 0.202 193 D C 1.552 177.891 176.300 0.065 0.000 0.974 193 D CA 0.791 54.843 54.000 0.087 0.000 0.841 193 D CB -0.259 40.599 40.800 0.096 0.000 0.953 193 D HN 0.319 nan 8.370 nan 0.000 0.478 194 Y N 1.754 122.020 120.300 -0.056 0.000 2.224 194 Y HA -0.212 4.338 4.550 0.000 0.000 0.289 194 Y C 2.338 178.137 175.900 -0.168 0.000 1.146 194 Y CA 1.521 59.498 58.100 -0.206 0.000 1.182 194 Y CB -0.164 37.921 38.460 -0.626 0.000 0.983 194 Y HN -0.136 nan 8.280 nan 0.000 0.524 195 T N 0.150 114.702 114.554 -0.004 0.000 2.732 195 T HA -0.132 4.218 4.350 -0.000 0.000 0.261 195 T C 1.870 176.528 174.700 -0.070 0.000 1.040 195 T CA 1.582 63.663 62.100 -0.030 0.000 1.145 195 T CB -0.180 68.712 68.868 0.039 0.000 0.866 195 T HN 0.278 nan 8.240 nan 0.000 0.427 196 R N 0.412 120.892 120.500 -0.034 0.000 2.119 196 R HA -0.066 4.274 4.340 -0.000 0.000 0.246 196 R C 1.787 178.050 176.300 -0.062 0.000 1.146 196 R CA 1.195 57.277 56.100 -0.030 0.000 0.962 196 R CB -0.545 29.754 30.300 -0.002 0.000 0.863 196 R HN 0.245 nan 8.270 nan 0.000 0.442 197 I N 1.667 122.173 120.570 -0.106 0.000 3.535 197 I HA -0.106 4.064 4.170 -0.000 0.000 0.307 197 I C -0.001 176.006 176.117 -0.184 0.000 1.200 197 I CA 0.478 61.696 61.300 -0.136 0.000 1.193 197 I CB -0.815 37.105 38.000 -0.133 0.000 1.003 197 I HN 0.196 nan 8.210 nan 0.000 0.505 198 S N -0.087 115.522 115.700 -0.152 0.000 3.366 198 S HA -0.394 4.076 4.470 -0.000 0.000 0.625 198 S C 0.955 175.442 174.600 -0.189 0.000 2.797 198 S CA 0.706 58.827 58.200 -0.132 0.000 3.953 198 S CB -1.364 61.788 63.200 -0.080 0.000 0.301 198 S HN 0.641 nan 8.310 nan 0.000 1.237 199 S N -0.951 114.668 115.700 -0.135 0.000 3.561 199 S HA -0.175 4.295 4.470 -0.000 0.000 0.318 199 S C 0.096 174.659 174.600 -0.063 0.000 1.181 199 S CA 1.108 59.261 58.200 -0.078 0.000 0.916 199 S CB -0.950 62.218 63.200 -0.054 0.000 0.966 199 S HN 0.794 nan 8.310 nan 0.000 0.550 200 L N 1.146 122.324 121.223 -0.075 0.000 2.902 200 L HA 0.485 4.825 4.340 -0.000 0.000 0.254 200 L C 1.057 177.906 176.870 -0.035 0.000 1.115 200 L CA 0.923 55.732 54.840 -0.051 0.000 0.947 200 L CB -0.151 41.873 42.059 -0.059 0.000 1.369 200 L HN 0.482 nan 8.230 nan 0.000 0.538 201 N N 0.111 118.787 118.700 -0.039 0.000 2.721 201 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 201 N C 1.054 176.582 175.510 0.031 0.000 1.072 201 N CA 0.854 53.912 53.050 0.014 0.000 0.710 201 N CB -0.642 37.867 38.487 0.035 0.000 0.993 201 N HN 0.522 nan 8.380 nan 0.000 0.547 202 S N -2.369 113.329 115.700 -0.004 0.000 2.528 202 S HA 0.233 4.703 4.470 -0.000 0.000 0.219 202 S C 0.898 175.497 174.600 -0.002 0.000 0.985 202 S CA 0.766 58.959 58.200 -0.012 0.000 0.914 202 S CB 0.438 63.622 63.200 -0.026 0.000 0.776 202 S HN 0.316 nan 8.310 nan 0.000 0.526 203 V N -2.105 117.836 119.914 0.045 0.000 3.159 203 V HA 0.611 4.730 4.120 -0.000 0.000 0.308 203 V C -1.306 174.956 176.094 0.280 0.000 1.190 203 V CA -1.192 61.165 62.300 0.095 0.000 1.037 203 V CB 1.555 33.428 31.823 0.082 0.000 1.060 203 V HN 0.361 nan 8.190 nan 0.000 0.437 204 H N -0.393 118.716 119.070 0.065 0.000 2.589 204 H HA 0.743 5.298 4.556 -0.001 0.000 0.351 204 H C -1.427 173.987 175.328 0.143 0.000 1.074 204 H CA -0.521 55.585 56.048 0.097 0.000 1.203 204 H CB 2.017 31.814 29.762 0.057 0.000 1.558 204 H HN 0.897 nan 8.280 nan 0.000 0.522 205 C N 2.461 121.931 119.300 0.283 0.000 2.712 205 C HA 0.306 4.766 4.460 -0.000 0.000 0.308 205 C C -0.587 174.497 174.990 0.157 0.000 1.201 205 C CA -1.063 58.106 59.018 0.252 0.000 1.554 205 C CB 1.706 29.674 27.740 0.379 0.000 2.117 205 C HN 0.820 nan 8.230 nan 0.000 0.480 206 K N 1.955 122.399 120.400 0.073 0.000 2.293 206 K HA 0.380 4.700 4.320 -0.000 0.000 0.267 206 K C -0.234 176.308 176.600 -0.097 0.000 1.010 206 K CA -0.214 56.071 56.287 -0.004 0.000 0.875 206 K CB 0.731 33.203 32.500 -0.045 0.000 1.106 206 K HN 0.873 nan 8.250 nan 0.000 0.450 207 H N 3.637 122.593 119.070 -0.190 0.000 2.975 207 H HA 0.136 4.691 4.556 -0.001 0.000 0.303 207 H C -1.090 174.027 175.328 -0.352 0.000 1.023 207 H CA 0.122 55.911 56.048 -0.431 0.000 1.473 207 H CB 0.705 30.169 29.762 -0.496 0.000 1.498 207 H HN 0.413 nan 8.280 nan 0.000 0.549 208 V N 5.600 124.893 119.914 -1.035 0.000 2.769 208 V HA 0.127 4.247 4.120 -0.000 0.000 0.312 208 V C 0.175 175.858 176.094 -0.685 0.000 1.061 208 V CA -0.731 61.164 62.300 -0.675 0.000 0.931 208 V CB 2.052 33.557 31.823 -0.530 0.000 1.010 208 V HN 0.774 nan 8.190 nan 0.000 0.433 209 E N 3.016 123.005 120.200 -0.351 0.000 2.751 209 E HA 0.249 4.598 4.350 -0.000 0.000 0.219 209 E C -0.700 175.814 176.600 -0.143 0.000 1.060 209 E CA -0.259 56.016 56.400 -0.208 0.000 0.893 209 E CB 1.041 30.684 29.700 -0.096 0.000 1.300 209 E HN 0.764 nan 8.360 nan 0.000 0.433 210 E N 2.011 122.120 120.200 -0.151 0.000 2.200 210 E HA 0.136 4.486 4.350 -0.000 0.000 0.283 210 E C -0.172 176.389 176.600 -0.065 0.000 1.015 210 E CA 0.101 56.452 56.400 -0.082 0.000 0.819 210 E CB 0.707 30.382 29.700 -0.042 0.000 1.081 210 E HN 0.394 nan 8.360 nan 0.000 0.397 211 D N 2.791 123.170 120.400 -0.035 0.000 3.475 211 D HA -0.289 4.351 4.640 -0.000 0.000 0.191 211 D C 0.809 177.098 176.300 -0.019 0.000 1.523 211 D CA 2.681 56.669 54.000 -0.020 0.000 2.228 211 D CB -1.161 39.632 40.800 -0.012 0.000 1.310 211 D HN 0.679 nan 8.370 nan 0.000 0.413 212 G N -1.511 107.273 108.800 -0.028 0.000 3.990 212 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.213 212 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.213 212 G C -0.352 174.537 174.900 -0.019 0.000 0.849 212 G CA 0.058 45.147 45.100 -0.019 0.000 0.857 212 G HN 0.232 nan 8.290 nan 0.000 0.484 213 E N 1.442 121.626 120.200 -0.027 0.000 2.231 213 E HA 0.586 4.936 4.350 -0.000 0.000 0.277 213 E C -0.445 176.117 176.600 -0.065 0.000 0.999 213 E CA -0.209 56.180 56.400 -0.019 0.000 0.827 213 E CB 1.512 31.215 29.700 0.005 0.000 1.101 213 E HN 0.025 nan 8.360 nan 0.000 0.393 214 S N 3.546 119.227 115.700 -0.031 0.000 2.516 214 S HA 0.204 4.673 4.470 -0.000 0.000 0.282 214 S C -0.210 174.295 174.600 -0.157 0.000 1.286 214 S CA -0.192 57.954 58.200 -0.091 0.000 1.066 214 S CB 0.198 63.471 63.200 0.121 0.000 0.884 214 S HN 0.229 nan 8.310 nan 0.000 0.491 215 R N 2.986 123.237 120.500 -0.416 0.000 2.532 215 R HA 0.253 4.593 4.340 -0.000 0.000 0.297 215 R C -1.681 174.381 176.300 -0.396 0.000 0.984 215 R CA -0.533 55.383 56.100 -0.307 0.000 0.884 215 R CB 0.982 30.917 30.300 -0.608 0.000 1.182 215 R HN 0.548 nan 8.270 nan 0.000 0.442 216 Y N 1.656 121.949 120.300 -0.012 0.000 2.676 216 Y HA 0.132 4.682 4.550 -0.000 0.000 0.338 216 Y C 0.657 176.608 175.900 0.084 0.000 1.057 216 Y CA -0.660 57.411 58.100 -0.047 0.000 1.314 216 Y CB 1.115 39.531 38.460 -0.074 0.000 1.164 216 Y HN 0.264 nan 8.280 nan 0.000 0.509 217 V N 5.623 125.568 119.914 0.053 0.000 2.557 217 V HA -0.130 3.990 4.120 -0.000 0.000 0.301 217 V C 0.646 176.819 176.094 0.133 0.000 1.026 217 V CA 0.081 62.406 62.300 0.042 0.000 1.137 217 V CB -0.250 31.386 31.823 -0.313 0.000 0.917 217 V HN 0.548 nan 8.190 nan 0.000 0.484 218 I N 5.688 126.368 120.570 0.182 0.000 2.517 218 I HA 0.071 4.241 4.170 -0.000 0.000 0.285 218 I C 1.539 177.709 176.117 0.088 0.000 1.106 218 I CA 0.312 61.694 61.300 0.137 0.000 1.402 218 I CB 1.098 39.154 38.000 0.095 0.000 1.399 218 I HN 0.898 nan 8.210 nan 0.000 0.535 219 T N 0.304 114.913 114.554 0.091 0.000 3.042 219 T HA 0.199 4.549 4.350 -0.000 0.000 0.245 219 T C 0.074 174.799 174.700 0.042 0.000 1.029 219 T CA 0.039 62.178 62.100 0.066 0.000 1.120 219 T CB 0.059 68.979 68.868 0.086 0.000 0.917 219 T HN 0.533 nan 8.240 nan 0.000 0.467 220 D N 0.198 120.621 120.400 0.039 0.000 2.970 220 D HA 0.520 5.160 4.640 -0.000 0.000 0.230 220 D C -1.452 174.804 176.300 -0.073 0.000 1.276 220 D CA -0.428 53.542 54.000 -0.050 0.000 0.910 220 D CB 1.942 42.654 40.800 -0.147 0.000 1.590 220 D HN 0.253 nan 8.370 nan 0.000 0.551 221 I N 3.165 123.681 120.570 -0.091 0.000 2.312 221 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 221 I C 0.565 176.616 176.117 -0.111 0.000 1.008 221 I CA -0.586 60.660 61.300 -0.089 0.000 1.226 221 I CB 1.095 39.034 38.000 -0.102 0.000 1.371 221 I HN 0.405 nan 8.210 nan 0.000 0.468 222 I N 3.578 124.081 120.570 -0.111 0.000 2.685 222 I HA 0.333 4.503 4.170 -0.000 0.000 0.251 222 I C 1.156 177.233 176.117 -0.066 0.000 1.102 222 I CA 0.674 61.909 61.300 -0.108 0.000 1.442 222 I CB -1.233 36.691 38.000 -0.125 0.000 1.194 222 I HN 0.780 nan 8.210 nan 0.000 0.448 223 G N 1.779 110.549 108.800 -0.050 0.000 2.675 223 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.686 223 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.686 223 G C 0.311 175.196 174.900 -0.024 0.000 1.215 223 G CA -0.205 44.873 45.100 -0.037 0.000 0.777 223 G HN 0.159 nan 8.290 nan 0.000 0.638 224 K N 0.071 120.461 120.400 -0.017 0.000 1.991 224 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 224 K C 1.371 177.969 176.600 -0.004 0.000 1.045 224 K CA 0.943 57.225 56.287 -0.009 0.000 0.937 224 K CB -0.056 32.441 32.500 -0.006 0.000 0.720 224 K HN 0.651 nan 8.250 nan 0.000 0.438 225 E N 1.941 122.141 120.200 -0.001 0.000 2.413 225 E HA -0.072 4.278 4.350 -0.000 0.000 0.263 225 E C -0.602 176.001 176.600 0.005 0.000 1.015 225 E CA 0.327 56.731 56.400 0.007 0.000 0.916 225 E CB 0.646 30.353 29.700 0.011 0.000 0.947 225 E HN 0.069 nan 8.360 nan 0.000 0.440 226 E N 1.130 121.337 120.200 0.012 0.000 2.231 226 E HA 0.347 4.697 4.350 -0.000 0.000 0.277 226 E C -0.072 176.540 176.600 0.019 0.000 0.999 226 E CA -0.078 56.329 56.400 0.012 0.000 0.827 226 E CB 1.606 31.314 29.700 0.014 0.000 1.101 226 E HN 0.774 nan 8.360 nan 0.000 0.393 227 G N 2.679 111.488 108.800 0.016 0.000 2.600 227 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.251 227 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.251 227 G C 0.246 175.159 174.900 0.022 0.000 1.142 227 G CA 0.205 45.320 45.100 0.025 0.000 0.994 227 G HN 0.416 nan 8.290 nan 0.000 0.511 228 L N -0.800 120.428 121.223 0.008 0.000 2.777 228 L HA 0.522 4.862 4.340 -0.000 0.000 0.172 228 L C 2.184 179.052 176.870 -0.003 0.000 1.179 228 L CA 0.721 55.562 54.840 0.001 0.000 0.859 228 L CB -0.675 41.376 42.059 -0.012 0.000 1.269 228 L HN 0.437 nan 8.230 nan 0.000 0.511 229 G N -0.606 108.187 108.800 -0.013 0.000 3.227 229 G HA2 0.156 4.116 3.960 -0.000 0.000 0.171 229 G HA3 0.156 4.116 3.960 -0.000 0.000 0.171 229 G C 0.797 175.688 174.900 -0.015 0.000 1.463 229 G CA 0.217 45.306 45.100 -0.017 0.000 1.016 229 G HN -0.084 nan 8.290 nan 0.000 0.594 230 V N 1.829 121.730 119.914 -0.022 0.000 2.794 230 V HA -0.143 3.977 4.120 -0.000 0.000 0.260 230 V C 2.881 178.962 176.094 -0.022 0.000 1.103 230 V CA 2.724 65.010 62.300 -0.023 0.000 1.125 230 V CB -0.597 31.210 31.823 -0.026 0.000 0.702 230 V HN 0.762 nan 8.190 nan 0.000 0.494 231 E N -0.172 120.018 120.200 -0.017 0.000 2.150 231 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 231 E C 1.624 178.218 176.600 -0.010 0.000 0.985 231 E CA 1.920 58.312 56.400 -0.013 0.000 0.814 231 E CB -0.871 28.824 29.700 -0.008 0.000 0.752 231 E HN 0.806 nan 8.360 nan 0.000 0.466 232 N N 0.880 119.577 118.700 -0.005 0.000 2.309 232 N HA -0.008 4.732 4.740 -0.000 0.000 0.182 232 N C 1.964 177.459 175.510 -0.026 0.000 1.018 232 N CA 0.911 53.961 53.050 0.000 0.000 0.876 232 N CB -0.062 38.435 38.487 0.017 0.000 0.972 232 N HN 0.141 nan 8.380 nan 0.000 0.434 233 L N 0.224 121.426 121.223 -0.034 0.000 2.341 233 L HA 0.083 4.423 4.340 -0.000 0.000 0.214 233 L C 2.466 179.301 176.870 -0.059 0.000 1.115 233 L CA 0.375 55.183 54.840 -0.053 0.000 0.820 233 L CB -0.224 41.808 42.059 -0.045 0.000 0.944 233 L HN 0.200 nan 8.230 nan 0.000 0.452 234 R N 1.024 121.497 120.500 -0.044 0.000 2.127 234 R HA -0.050 4.290 4.340 -0.000 0.000 0.217 234 R C 2.114 178.388 176.300 -0.045 0.000 1.074 234 R CA 1.189 57.264 56.100 -0.042 0.000 0.991 234 R CB -0.224 30.058 30.300 -0.030 0.000 0.895 234 R HN 0.290 nan 8.270 nan 0.000 0.450 235 G N -0.104 108.672 108.800 -0.039 0.000 2.422 235 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 235 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 235 G C 1.403 176.255 174.900 -0.080 0.000 1.140 235 G CA 0.674 45.753 45.100 -0.036 0.000 0.775 235 G HN 0.309 nan 8.290 nan 0.000 0.545 236 S N 0.479 116.108 115.700 -0.118 0.000 2.355 236 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 236 S C 2.547 177.048 174.600 -0.165 0.000 1.031 236 S CA 1.194 59.278 58.200 -0.195 0.000 0.993 236 S CB -0.564 62.523 63.200 -0.189 0.000 0.859 236 S HN 0.503 nan 8.310 nan 0.000 0.453 237 G N 1.211 109.939 108.800 -0.121 0.000 2.442 237 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 237 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 237 G C 1.394 176.244 174.900 -0.083 0.000 1.141 237 G CA 0.943 45.980 45.100 -0.106 0.000 0.763 237 G HN 0.404 nan 8.290 nan 0.000 0.554 238 M N 0.630 120.191 119.600 -0.066 0.000 2.065 238 M HA -0.067 4.413 4.480 -0.000 0.000 0.259 238 M C 2.598 178.883 176.300 -0.026 0.000 1.071 238 M CA 2.026 57.304 55.300 -0.038 0.000 1.109 238 M CB -0.250 32.334 32.600 -0.025 0.000 1.313 238 M HN 0.423 nan 8.290 nan 0.000 0.408 239 I N -2.007 118.535 120.570 -0.047 0.000 2.439 239 I HA -0.031 4.139 4.170 -0.000 0.000 0.251 239 I C 2.320 178.414 176.117 -0.037 0.000 1.139 239 I CA 1.207 62.496 61.300 -0.019 0.000 1.438 239 I CB -0.956 36.946 38.000 -0.164 0.000 1.085 239 I HN 0.207 nan 8.210 nan 0.000 0.427 240 A N 2.196 124.954 122.820 -0.103 0.000 1.877 240 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 240 A C 2.439 179.995 177.584 -0.046 0.000 1.186 240 A CA 1.854 53.835 52.037 -0.094 0.000 0.620 240 A CB -1.680 17.232 19.000 -0.147 0.000 0.822 240 A HN 0.521 nan 8.150 nan 0.000 0.443 241 G N -0.719 108.055 108.800 -0.044 0.000 2.432 241 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 241 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 241 G C 1.469 176.370 174.900 0.001 0.000 1.135 241 G CA 1.400 46.485 45.100 -0.025 0.000 0.767 241 G HN 0.544 nan 8.290 nan 0.000 0.550 242 E N 0.629 120.839 120.200 0.016 0.000 2.046 242 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 242 E C 2.658 179.286 176.600 0.047 0.000 0.982 242 E CA 1.500 57.918 56.400 0.031 0.000 0.800 242 E CB -0.679 29.048 29.700 0.046 0.000 0.756 242 E HN 0.270 nan 8.360 nan 0.000 0.449 243 T N -0.357 114.245 114.554 0.080 0.000 2.746 243 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 243 T C 1.968 176.723 174.700 0.092 0.000 1.039 243 T CA 1.478 63.636 62.100 0.095 0.000 1.142 243 T CB -0.586 68.358 68.868 0.127 0.000 0.866 243 T HN 0.176 nan 8.240 nan 0.000 0.444 244 S N 0.503 116.242 115.700 0.065 0.000 2.383 244 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 244 S C 2.180 176.835 174.600 0.093 0.000 1.030 244 S CA 1.536 59.781 58.200 0.075 0.000 1.002 244 S CB -0.302 62.915 63.200 0.028 0.000 0.829 244 S HN 0.547 nan 8.310 nan 0.000 0.467 245 Q N -0.075 119.756 119.800 0.053 0.000 2.049 245 Q HA -0.111 4.228 4.340 -0.000 0.000 0.198 245 Q C 1.546 177.563 176.000 0.029 0.000 0.971 245 Q CA 1.601 57.422 55.803 0.030 0.000 0.833 245 Q CB -0.208 28.535 28.738 0.009 0.000 0.896 245 Q HN 0.498 nan 8.270 nan 0.000 0.434 246 D N -0.106 120.317 120.400 0.039 0.000 2.127 246 D HA -0.235 4.405 4.640 -0.000 0.000 0.190 246 D C 1.584 177.911 176.300 0.045 0.000 1.000 246 D CA 1.463 55.481 54.000 0.030 0.000 0.839 246 D CB -0.712 40.108 40.800 0.032 0.000 0.955 246 D HN 0.320 nan 8.370 nan 0.000 0.446 247 Y N 1.748 122.044 120.300 -0.006 0.000 2.102 247 Y HA -0.268 4.282 4.550 -0.000 0.000 0.280 247 Y C 1.686 177.578 175.900 -0.012 0.000 1.178 247 Y CA 1.925 60.022 58.100 -0.005 0.000 1.146 247 Y CB -0.397 38.063 38.460 -0.001 0.000 0.968 247 Y HN -0.098 nan 8.280 nan 0.000 0.504 248 D N -0.469 119.792 120.400 -0.232 0.000 2.269 248 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 248 D C 1.814 178.001 176.300 -0.187 0.000 0.963 248 D CA 1.410 55.258 54.000 -0.252 0.000 0.864 248 D CB 0.052 40.802 40.800 -0.083 0.000 0.936 248 D HN 0.638 nan 8.370 nan 0.000 0.505 249 E N -0.730 119.393 120.200 -0.127 0.000 2.306 249 E HA 0.175 4.525 4.350 -0.000 0.000 0.201 249 E C 0.944 177.494 176.600 -0.082 0.000 0.874 249 E CA 0.072 56.419 56.400 -0.090 0.000 0.972 249 E CB 1.180 30.847 29.700 -0.055 0.000 0.957 249 E HN 0.277 nan 8.360 nan 0.000 0.492 250 I N -2.365 118.162 120.570 -0.071 0.000 3.206 250 I HA 0.428 4.598 4.170 -0.000 0.000 0.313 250 I C -0.178 175.920 176.117 -0.032 0.000 1.103 250 I CA -1.287 59.985 61.300 -0.046 0.000 0.985 250 I CB 1.647 39.628 38.000 -0.032 0.000 1.240 250 I HN -0.380 nan 8.210 nan 0.000 0.464 251 V N 2.035 121.948 119.914 -0.001 0.000 2.470 251 V HA 0.249 4.369 4.120 -0.000 0.000 0.276 251 V C 0.352 176.485 176.094 0.065 0.000 1.040 251 V CA 0.204 62.526 62.300 0.037 0.000 1.008 251 V CB 0.534 32.391 31.823 0.057 0.000 0.990 251 V HN 0.904 nan 8.190 nan 0.000 0.477 252 T N 4.306 118.927 114.554 0.111 0.000 2.786 252 T HA 0.783 5.133 4.350 -0.000 0.000 0.283 252 T C -0.756 174.034 174.700 0.151 0.000 0.992 252 T CA -0.537 61.643 62.100 0.134 0.000 0.954 252 T CB 1.118 70.088 68.868 0.169 0.000 0.934 252 T HN 0.325 nan 8.240 nan 0.000 0.440 253 I N 2.309 122.974 120.570 0.159 0.000 2.545 253 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 253 I C -0.353 175.862 176.117 0.164 0.000 1.040 253 I CA -0.877 60.546 61.300 0.206 0.000 1.068 253 I CB 2.452 40.622 38.000 0.284 0.000 1.251 253 I HN 0.689 nan 8.210 nan 0.000 0.424 254 S N 6.336 122.123 115.700 0.145 0.000 2.541 254 S HA 0.630 5.100 4.470 -0.000 0.000 0.280 254 S C -0.756 173.840 174.600 -0.006 0.000 1.112 254 S CA -0.699 57.550 58.200 0.081 0.000 0.925 254 S CB 2.352 65.639 63.200 0.145 0.000 1.067 254 S HN 0.595 nan 8.310 nan 0.000 0.479 255 M N 2.737 122.268 119.600 -0.114 0.000 2.528 255 M HA 0.637 5.117 4.480 -0.000 0.000 0.321 255 M C -1.879 174.312 176.300 -0.181 0.000 1.153 255 M CA -0.711 54.496 55.300 -0.155 0.000 0.951 255 M CB 1.448 33.928 32.600 -0.199 0.000 1.705 255 M HN 0.470 nan 8.290 nan 0.000 0.451 256 V N 2.913 122.745 119.914 -0.137 0.000 2.350 256 V HA 0.448 4.568 4.120 -0.000 0.000 0.285 256 V C -0.502 175.527 176.094 -0.109 0.000 1.014 256 V CA -0.477 61.746 62.300 -0.128 0.000 0.831 256 V CB 1.293 33.058 31.823 -0.097 0.000 1.000 256 V HN 0.868 nan 8.190 nan 0.000 0.433 257 S N 2.875 118.516 115.700 -0.099 0.000 2.482 257 S HA 0.526 4.996 4.470 -0.000 0.000 0.303 257 S C 0.555 175.107 174.600 -0.081 0.000 1.091 257 S CA 0.430 58.597 58.200 -0.055 0.000 1.057 257 S CB 1.228 64.448 63.200 0.034 0.000 1.031 257 S HN 1.194 nan 8.310 nan 0.000 0.485 258 C N 3.614 122.852 119.300 -0.103 0.000 5.885 258 C HA -0.249 4.211 4.460 -0.000 0.000 0.328 258 C C 0.099 174.881 174.990 -0.347 0.000 2.433 258 C CA 1.894 60.817 59.018 -0.158 0.000 2.197 258 C CB -2.009 25.681 27.740 -0.084 0.000 3.236 258 C HN 1.075 nan 8.230 nan 0.000 0.260 259 R N -0.024 120.317 120.500 -0.265 0.000 2.664 259 R HA 0.633 4.973 4.340 -0.000 0.000 0.266 259 R C -1.190 175.048 176.300 -0.103 0.000 1.046 259 R CA -0.030 55.891 56.100 -0.297 0.000 0.885 259 R CB 1.243 31.373 30.300 -0.283 0.000 1.254 259 R HN 1.643 nan 8.270 nan 0.000 0.465 260 A N 2.770 125.559 122.820 -0.051 0.000 2.466 260 A HA 0.564 4.883 4.320 -0.000 0.000 0.291 260 A C -1.361 176.242 177.584 0.031 0.000 1.234 260 A CA -0.616 51.430 52.037 0.016 0.000 0.752 260 A CB 0.848 19.847 19.000 -0.003 0.000 1.153 260 A HN 0.497 nan 8.150 nan 0.000 0.458 261 L N 2.125 123.390 121.223 0.071 0.000 2.322 261 L HA 0.674 5.014 4.340 -0.000 0.000 0.279 261 L C 1.483 178.372 176.870 0.031 0.000 1.036 261 L CA 1.455 56.330 54.840 0.057 0.000 0.807 261 L CB 1.542 43.655 42.059 0.090 0.000 1.226 261 L HN 1.170 nan 8.230 nan 0.000 0.433 262 G N 3.148 111.944 108.800 -0.007 0.000 2.723 262 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.356 262 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.356 262 G C 1.089 175.985 174.900 -0.006 0.000 1.164 262 G CA 1.161 46.257 45.100 -0.006 0.000 0.939 262 G HN 0.708 nan 8.290 nan 0.000 0.570 263 I N 2.360 122.879 120.570 -0.085 0.000 2.361 263 I HA 0.117 4.287 4.170 -0.000 0.000 0.251 263 I C 2.853 178.828 176.117 -0.237 0.000 1.133 263 I CA 2.535 63.715 61.300 -0.201 0.000 1.413 263 I CB -0.805 36.922 38.000 -0.455 0.000 1.073 263 I HN 0.566 nan 8.210 nan 0.000 0.424 264 G N -0.178 108.521 108.800 -0.168 0.000 2.432 264 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 264 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 264 G C 1.712 176.652 174.900 0.066 0.000 1.135 264 G CA 0.703 45.854 45.100 0.085 0.000 0.767 264 G HN 0.574 nan 8.290 nan 0.000 0.550 265 A N -0.190 122.606 122.820 -0.039 0.000 1.929 265 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 265 A C 2.187 179.660 177.584 -0.185 0.000 1.176 265 A CA 1.114 53.070 52.037 -0.134 0.000 0.628 265 A CB -0.487 18.364 19.000 -0.248 0.000 0.816 265 A HN 0.331 nan 8.150 nan 0.000 0.444 266 Y N 0.333 120.598 120.300 -0.058 0.000 2.293 266 Y HA -0.090 4.460 4.550 0.000 0.000 0.291 266 Y C 2.158 178.019 175.900 -0.065 0.000 1.137 266 Y CA 1.076 59.130 58.100 -0.076 0.000 1.202 266 Y CB -0.375 38.020 38.460 -0.107 0.000 0.990 266 Y HN 0.188 nan 8.280 nan 0.000 0.537 267 L N -0.860 120.409 121.223 0.076 0.000 2.056 267 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 267 L C 2.575 179.538 176.870 0.155 0.000 1.078 267 L CA 1.433 56.311 54.840 0.063 0.000 0.749 267 L CB -1.025 41.008 42.059 -0.043 0.000 0.901 267 L HN 0.232 nan 8.230 nan 0.000 0.433 268 V N -0.869 119.149 119.914 0.174 0.000 2.343 268 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 268 V C 2.709 178.823 176.094 0.033 0.000 1.051 268 V CA 1.929 64.306 62.300 0.129 0.000 1.036 268 V CB -0.571 31.297 31.823 0.076 0.000 0.654 268 V HN 0.384 nan 8.190 nan 0.000 0.451 269 R N 0.573 121.074 120.500 0.001 0.000 2.073 269 R HA 0.110 4.450 4.340 -0.000 0.000 0.229 269 R C 2.053 178.315 176.300 -0.064 0.000 1.120 269 R CA 1.983 58.057 56.100 -0.042 0.000 0.967 269 R CB -1.184 29.092 30.300 -0.040 0.000 0.862 269 R HN 0.599 nan 8.270 nan 0.000 0.436 270 L N -0.466 120.756 121.223 -0.002 0.000 2.191 270 L HA 0.033 4.373 4.340 -0.000 0.000 0.212 270 L C 2.181 179.005 176.870 -0.078 0.000 1.103 270 L CA 1.460 56.276 54.840 -0.040 0.000 0.769 270 L CB -0.476 41.594 42.059 0.019 0.000 0.908 270 L HN 0.425 nan 8.230 nan 0.000 0.438 271 G N -2.366 106.427 108.800 -0.012 0.000 2.650 271 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 271 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 271 G C 0.919 175.778 174.900 -0.068 0.000 1.136 271 G CA 0.172 45.295 45.100 0.039 0.000 0.789 271 G HN 0.415 nan 8.290 nan 0.000 0.536 272 Q N -0.986 118.679 119.800 -0.224 0.000 2.179 272 Q HA -0.276 4.064 4.340 -0.000 0.000 0.170 272 Q C 0.573 176.378 176.000 -0.326 0.000 2.751 272 Q CA 1.899 57.522 55.803 -0.300 0.000 0.600 272 Q CB -1.042 27.358 28.738 -0.563 0.000 0.583 272 Q HN 0.605 nan 8.270 nan 0.000 0.584 273 R N 1.549 121.885 120.500 -0.273 0.000 2.235 273 R HA 0.455 4.795 4.340 -0.000 0.000 0.338 273 R C -0.449 175.771 176.300 -0.133 0.000 1.087 273 R CA -0.178 55.633 56.100 -0.481 0.000 0.948 273 R CB 0.882 31.026 30.300 -0.261 0.000 1.099 273 R HN -0.088 nan 8.270 nan 0.000 0.483 274 V N 5.447 125.238 119.914 -0.206 0.000 2.459 274 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 274 V C 0.177 176.387 176.094 0.194 0.000 1.029 274 V CA -0.790 61.537 62.300 0.044 0.000 0.874 274 V CB 1.885 33.699 31.823 -0.015 0.000 0.985 274 V HN 0.612 nan 8.190 nan 0.000 0.438 275 I N 4.249 124.855 120.570 0.061 0.000 2.312 275 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 275 I C 0.095 176.161 176.117 -0.086 0.000 1.008 275 I CA -0.005 61.250 61.300 -0.076 0.000 1.226 275 I CB 1.324 39.150 38.000 -0.290 0.000 1.371 275 I HN 0.648 nan 8.210 nan 0.000 0.468 276 Q N 5.959 125.708 119.800 -0.086 0.000 2.314 276 Q HA 0.444 4.783 4.340 -0.000 0.000 0.259 276 Q C -1.097 174.837 176.000 -0.109 0.000 0.951 276 Q CA -0.720 55.029 55.803 -0.090 0.000 0.909 276 Q CB 1.698 30.396 28.738 -0.068 0.000 1.236 276 Q HN 0.475 nan 8.270 nan 0.000 0.444 277 V N 4.050 123.908 119.914 -0.094 0.000 2.637 277 V HA 0.032 4.152 4.120 -0.000 0.000 0.296 277 V C 0.297 176.354 176.094 -0.061 0.000 1.046 277 V CA -0.136 62.116 62.300 -0.080 0.000 1.066 277 V CB 1.105 32.892 31.823 -0.062 0.000 0.968 277 V HN 0.858 nan 8.190 nan 0.000 0.483 278 E N 3.543 123.712 120.200 -0.051 0.000 2.481 278 E HA -0.051 4.299 4.350 -0.000 0.000 0.263 278 E C 0.972 177.567 176.600 -0.008 0.000 0.992 278 E CA 0.707 57.093 56.400 -0.024 0.000 0.938 278 E CB -0.019 29.672 29.700 -0.015 0.000 0.933 278 E HN 0.745 nan 8.360 nan 0.000 0.453 279 N N 0.186 118.896 118.700 0.017 0.000 2.965 279 N HA -0.198 4.541 4.740 -0.000 0.000 0.232 279 N C -0.934 174.596 175.510 0.034 0.000 0.913 279 N CA 1.217 54.289 53.050 0.037 0.000 0.981 279 N CB -1.045 37.456 38.487 0.023 0.000 1.077 279 N HN 0.437 nan 8.380 nan 0.000 0.589 280 S N -0.795 114.897 115.700 -0.013 0.000 2.690 280 S HA 0.725 5.195 4.470 -0.000 0.000 0.291 280 S C -0.289 174.285 174.600 -0.043 0.000 1.138 280 S CA -0.359 57.770 58.200 -0.119 0.000 1.013 280 S CB 1.558 64.680 63.200 -0.130 0.000 1.053 280 S HN 0.438 nan 8.310 nan 0.000 0.539 281 H N -1.131 117.929 119.070 -0.018 0.000 2.679 281 H HA 0.658 5.214 4.556 -0.000 0.000 0.360 281 H C -1.210 174.098 175.328 -0.033 0.000 1.105 281 H CA -1.044 54.989 56.048 -0.025 0.000 1.196 281 H CB 0.706 30.453 29.762 -0.026 0.000 1.636 281 H HN 0.548 nan 8.280 nan 0.000 0.531 282 I N 4.692 125.295 120.570 0.056 0.000 2.337 282 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 282 I C -0.327 175.781 176.117 -0.016 0.000 1.041 282 I CA -0.473 60.823 61.300 -0.007 0.000 1.199 282 I CB 0.204 38.180 38.000 -0.040 0.000 1.370 282 I HN 0.578 nan 8.210 nan 0.000 0.470 283 I N 2.279 122.846 120.570 -0.005 0.000 3.042 283 I HA 0.488 4.658 4.170 -0.000 0.000 0.310 283 I C -0.188 175.886 176.117 -0.072 0.000 1.117 283 I CA -0.868 60.407 61.300 -0.041 0.000 1.003 283 I CB 2.314 40.306 38.000 -0.014 0.000 1.228 283 I HN 0.372 nan 8.210 nan 0.000 0.443 284 L N 0.857 122.024 121.223 -0.092 0.000 2.316 284 L HA 0.310 4.650 4.340 -0.000 0.000 0.207 284 L C 0.225 177.073 176.870 -0.036 0.000 1.070 284 L CA 0.914 55.708 54.840 -0.078 0.000 0.820 284 L CB 0.171 42.182 42.059 -0.081 0.000 0.992 284 L HN 0.751 nan 8.230 nan 0.000 0.466 285 T N -0.354 114.171 114.554 -0.048 0.000 3.032 285 T HA 0.458 4.808 4.350 -0.000 0.000 0.312 285 T C 0.018 174.680 174.700 -0.063 0.000 1.078 285 T CA -0.592 61.486 62.100 -0.036 0.000 1.028 285 T CB 1.937 70.789 68.868 -0.028 0.000 1.091 285 T HN 0.155 nan 8.240 nan 0.000 0.457 286 G N 0.694 109.472 108.800 -0.037 0.000 2.614 286 G HA2 0.427 4.387 3.960 -0.000 0.000 0.239 286 G HA3 0.427 4.387 3.960 -0.000 0.000 0.239 286 G C 1.202 176.066 174.900 -0.060 0.000 1.240 286 G CA -0.106 44.962 45.100 -0.052 0.000 0.842 286 G HN 0.940 nan 8.290 nan 0.000 0.584 287 A N 1.136 123.914 122.820 -0.071 0.000 1.908 287 A HA -0.081 4.238 4.320 -0.000 0.000 0.218 287 A C 2.528 180.162 177.584 0.083 0.000 1.181 287 A CA 2.493 54.535 52.037 0.008 0.000 0.627 287 A CB -0.932 18.092 19.000 0.039 0.000 0.818 287 A HN 0.627 nan 8.150 nan 0.000 0.445 288 T N 0.172 114.752 114.554 0.043 0.000 2.652 288 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 288 T C 2.230 176.960 174.700 0.049 0.000 1.039 288 T CA 1.804 63.931 62.100 0.046 0.000 1.153 288 T CB -0.474 68.412 68.868 0.030 0.000 0.863 288 T HN 0.618 nan 8.240 nan 0.000 0.428 289 A N 0.900 123.743 122.820 0.038 0.000 1.933 289 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 289 A C 2.293 179.908 177.584 0.052 0.000 1.175 289 A CA 1.114 53.173 52.037 0.037 0.000 0.628 289 A CB -0.728 18.287 19.000 0.024 0.000 0.814 289 A HN 0.485 nan 8.150 nan 0.000 0.444 290 L N -0.523 120.743 121.223 0.071 0.000 2.109 290 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 290 L C 2.206 179.168 176.870 0.152 0.000 1.086 290 L CA 0.956 55.868 54.840 0.121 0.000 0.760 290 L CB -0.603 41.544 42.059 0.146 0.000 0.910 290 L HN 0.339 nan 8.230 nan 0.000 0.437 291 N N 0.261 119.050 118.700 0.149 0.000 2.142 291 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 291 N C 1.763 177.304 175.510 0.052 0.000 1.023 291 N CA 1.045 54.148 53.050 0.088 0.000 0.852 291 N CB -0.078 38.453 38.487 0.074 0.000 0.998 291 N HN 0.269 nan 8.380 nan 0.000 0.424 292 K N 0.586 121.017 120.400 0.051 0.000 2.057 292 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 292 K C 1.972 178.593 176.600 0.036 0.000 1.049 292 K CA 0.783 57.093 56.287 0.037 0.000 0.931 292 K CB -0.239 32.282 32.500 0.035 0.000 0.714 292 K HN 0.010 nan 8.250 nan 0.000 0.440 293 V N 1.573 121.514 119.914 0.045 0.000 2.295 293 V HA -0.225 3.894 4.120 -0.000 0.000 0.246 293 V C 2.248 178.366 176.094 0.040 0.000 1.049 293 V CA 1.352 63.678 62.300 0.042 0.000 1.024 293 V CB -0.361 31.490 31.823 0.047 0.000 0.648 293 V HN 0.177 nan 8.190 nan 0.000 0.447 294 L N 0.504 121.755 121.223 0.047 0.000 2.141 294 L HA 0.161 4.501 4.340 -0.000 0.000 0.209 294 L C 2.027 178.907 176.870 0.015 0.000 1.094 294 L CA 1.831 56.690 54.840 0.032 0.000 0.763 294 L CB -1.575 40.500 42.059 0.026 0.000 0.908 294 L HN 0.592 nan 8.230 nan 0.000 0.437 295 G N -0.173 108.636 108.800 0.016 0.000 2.143 295 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.248 295 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.248 295 G C 0.564 175.462 174.900 -0.002 0.000 0.991 295 G CA 0.529 45.635 45.100 0.009 0.000 0.689 295 G HN 0.402 nan 8.290 nan 0.000 0.522 296 R N -0.257 120.235 120.500 -0.013 0.000 2.621 296 R HA 0.476 4.816 4.340 -0.000 0.000 0.284 296 R C -1.531 174.739 176.300 -0.050 0.000 0.998 296 R CA -0.857 55.222 56.100 -0.035 0.000 0.895 296 R CB 0.965 31.234 30.300 -0.052 0.000 1.195 296 R HN -0.009 nan 8.270 nan 0.000 0.450 297 D N 3.605 123.975 120.400 -0.049 0.000 2.551 297 D HA 0.094 4.734 4.640 -0.000 0.000 0.223 297 D C 0.865 177.100 176.300 -0.107 0.000 1.144 297 D CA 0.130 54.099 54.000 -0.052 0.000 1.025 297 D CB 1.054 41.840 40.800 -0.024 0.000 1.085 297 D HN 0.262 nan 8.370 nan 0.000 0.506 298 V N 1.043 120.830 119.914 -0.212 0.000 2.379 298 V HA -0.076 4.044 4.120 -0.000 0.000 0.243 298 V C 0.335 176.142 176.094 -0.478 0.000 1.035 298 V CA 0.955 62.992 62.300 -0.439 0.000 1.035 298 V CB -0.370 31.009 31.823 -0.741 0.000 0.673 298 V HN 0.317 nan 8.190 nan 0.000 0.457 299 Y N 0.265 120.558 120.300 -0.012 0.000 2.342 299 Y HA 0.468 5.017 4.550 -0.000 0.000 0.334 299 Y C 1.271 177.159 175.900 -0.021 0.000 1.067 299 Y CA -0.144 57.944 58.100 -0.019 0.000 1.128 299 Y CB 1.316 39.761 38.460 -0.026 0.000 1.200 299 Y HN 0.020 nan 8.280 nan 0.000 0.464 300 T N -2.742 111.882 114.554 0.117 0.000 2.990 300 T HA 0.254 4.604 4.350 -0.000 0.000 0.249 300 T C 0.425 175.147 174.700 0.036 0.000 1.039 300 T CA 0.279 62.412 62.100 0.055 0.000 1.036 300 T CB 0.140 69.025 68.868 0.029 0.000 0.994 300 T HN 0.425 nan 8.240 nan 0.000 0.489 301 S N -0.306 115.414 115.700 0.032 0.000 2.569 301 S HA 0.514 4.984 4.470 -0.000 0.000 0.280 301 S C 0.076 174.613 174.600 -0.105 0.000 1.111 301 S CA -0.767 57.413 58.200 -0.035 0.000 0.887 301 S CB 1.675 64.860 63.200 -0.025 0.000 1.095 301 S HN 0.179 nan 8.310 nan 0.000 0.476 302 N N 2.080 120.625 118.700 -0.258 0.000 2.409 302 N HA -0.004 4.736 4.740 -0.000 0.000 0.179 302 N C 0.969 176.274 175.510 -0.341 0.000 1.032 302 N CA 0.617 53.412 53.050 -0.425 0.000 0.898 302 N CB -0.366 37.605 38.487 -0.859 0.000 0.971 302 N HN 0.472 nan 8.380 nan 0.000 0.441 303 N N 1.233 119.803 118.700 -0.216 0.000 2.223 303 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 303 N C 1.454 176.950 175.510 -0.025 0.000 1.016 303 N CA 0.823 53.845 53.050 -0.046 0.000 0.863 303 N CB -0.115 38.377 38.487 0.008 0.000 0.983 303 N HN 0.437 nan 8.380 nan 0.000 0.429 304 Q N -0.383 119.399 119.800 -0.032 0.000 2.291 304 Q HA 0.023 4.363 4.340 -0.000 0.000 0.205 304 Q C 1.685 177.658 176.000 -0.045 0.000 0.970 304 Q CA 0.671 56.476 55.803 0.004 0.000 0.876 304 Q CB 0.101 28.888 28.738 0.082 0.000 0.935 304 Q HN 0.407 nan 8.270 nan 0.000 0.455 305 L N -1.725 119.422 121.223 -0.127 0.000 2.121 305 L HA 0.099 4.439 4.340 -0.000 0.000 0.200 305 L C 1.551 178.364 176.870 -0.095 0.000 1.077 305 L CA 1.006 55.738 54.840 -0.181 0.000 0.766 305 L CB 0.030 41.920 42.059 -0.282 0.000 0.931 305 L HN 0.176 nan 8.230 nan 0.000 0.452 306 G N -0.396 108.373 108.800 -0.053 0.000 4.867 306 G HA2 0.405 4.365 3.960 -0.000 0.000 0.258 306 G HA3 0.405 4.365 3.960 -0.000 0.000 0.258 306 G C 0.091 175.020 174.900 0.048 0.000 0.999 306 G CA 0.088 45.184 45.100 -0.007 0.000 0.797 306 G HN 0.262 nan 8.290 nan 0.000 0.505 307 G N -0.414 108.417 108.800 0.053 0.000 2.528 307 G HA2 0.436 4.396 3.960 -0.000 0.000 0.289 307 G HA3 0.436 4.396 3.960 -0.000 0.000 0.289 307 G C 1.493 176.444 174.900 0.085 0.000 1.192 307 G CA 0.242 45.390 45.100 0.080 0.000 0.921 307 G HN 0.743 nan 8.290 nan 0.000 0.512 308 V N -0.921 119.049 119.914 0.093 0.000 2.527 308 V HA -0.287 3.833 4.120 -0.000 0.000 0.255 308 V C 2.379 178.637 176.094 0.274 0.000 1.081 308 V CA 2.652 65.035 62.300 0.139 0.000 1.092 308 V CB -1.013 30.859 31.823 0.082 0.000 0.673 308 V HN 0.864 nan 8.190 nan 0.000 0.470 309 Q N -0.456 119.470 119.800 0.210 0.000 2.364 309 Q HA -0.114 4.226 4.340 -0.000 0.000 0.209 309 Q C 1.958 178.048 176.000 0.150 0.000 0.977 309 Q CA 2.012 57.920 55.803 0.175 0.000 0.885 309 Q CB -0.193 28.571 28.738 0.043 0.000 0.941 309 Q HN 0.624 nan 8.270 nan 0.000 0.464 310 I N -0.355 120.301 120.570 0.142 0.000 3.345 310 I HA 0.019 4.189 4.170 -0.000 0.000 0.258 310 I C 2.151 178.314 176.117 0.077 0.000 1.134 310 I CA 0.396 61.745 61.300 0.082 0.000 1.457 310 I CB -0.635 37.379 38.000 0.023 0.000 1.425 310 I HN 0.194 nan 8.210 nan 0.000 0.461 311 M N 0.082 119.722 119.600 0.068 0.000 2.254 311 M HA -0.118 4.362 4.480 -0.000 0.000 0.265 311 M C 2.180 178.522 176.300 0.069 0.000 1.066 311 M CA 1.587 56.902 55.300 0.025 0.000 1.123 311 M CB -1.490 31.115 32.600 0.008 0.000 1.388 311 M HN 0.343 nan 8.290 nan 0.000 0.425 312 H N -1.054 118.012 119.070 -0.006 0.000 2.535 312 H HA -0.026 4.530 4.556 -0.000 0.000 0.273 312 H C 1.187 176.399 175.328 -0.192 0.000 0.983 312 H CA 0.583 56.578 56.048 -0.087 0.000 1.238 312 H CB 0.411 30.107 29.762 -0.111 0.000 1.412 312 H HN 0.405 nan 8.280 nan 0.000 0.562 313 H N -0.237 118.843 119.070 0.017 0.000 2.551 313 H HA -0.001 4.554 4.556 -0.000 0.000 0.271 313 H C 0.787 176.096 175.328 -0.032 0.000 0.984 313 H CA 0.502 56.550 56.048 -0.000 0.000 1.164 313 H CB 0.474 30.250 29.762 0.023 0.000 1.437 313 H HN 0.566 nan 8.280 nan 0.000 0.550 314 N N -1.036 117.554 118.700 -0.183 0.000 2.143 314 N HA 0.061 4.801 4.740 -0.000 0.000 0.222 314 N C 1.342 176.004 175.510 -1.413 0.000 1.264 314 N CA 0.650 53.286 53.050 -0.689 0.000 0.897 314 N CB 0.936 39.190 38.487 -0.388 0.000 1.092 314 N HN 0.218 nan 8.380 nan 0.000 0.516 315 G N 0.014 108.342 108.800 -0.786 0.000 2.213 315 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.236 315 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.236 315 G C 0.803 175.520 174.900 -0.304 0.000 0.991 315 G CA 0.317 45.031 45.100 -0.644 0.000 0.629 315 G HN 0.203 nan 8.290 nan 0.000 0.517 316 V N 0.896 120.656 119.914 -0.256 0.000 2.358 316 V HA 0.053 4.172 4.120 -0.000 0.000 0.246 316 V C 1.682 177.794 176.094 0.029 0.000 1.047 316 V CA 2.252 64.481 62.300 -0.118 0.000 1.035 316 V CB -0.106 31.636 31.823 -0.135 0.000 0.658 316 V HN 0.437 nan 8.190 nan 0.000 0.452 317 S N -1.123 114.625 115.700 0.079 0.000 2.422 317 S HA 0.343 4.813 4.470 -0.000 0.000 0.308 317 S C 0.823 175.630 174.600 0.346 0.000 1.097 317 S CA -0.430 57.873 58.200 0.171 0.000 1.099 317 S CB 0.591 63.853 63.200 0.102 0.000 0.976 317 S HN 0.494 nan 8.310 nan 0.000 0.471 318 H N 1.444 120.622 119.070 0.179 0.000 2.395 318 H HA 0.063 4.619 4.556 -0.000 0.000 0.299 318 H C 0.891 176.412 175.328 0.322 0.000 1.070 318 H CA 0.914 57.097 56.048 0.225 0.000 1.356 318 H CB 0.389 30.257 29.762 0.177 0.000 1.401 318 H HN 0.487 nan 8.280 nan 0.000 0.524 319 V N -2.364 117.785 119.914 0.391 0.000 3.188 319 V HA 0.510 4.630 4.120 -0.000 0.000 0.305 319 V C -0.613 175.371 176.094 -0.182 0.000 1.232 319 V CA -0.906 61.492 62.300 0.164 0.000 1.043 319 V CB 2.530 34.484 31.823 0.218 0.000 1.068 319 V HN -0.076 nan 8.190 nan 0.000 0.439 320 T N 1.717 116.057 114.554 -0.357 0.000 2.907 320 T HA 0.862 5.212 4.350 -0.000 0.000 0.292 320 T C -0.654 173.936 174.700 -0.183 0.000 1.043 320 T CA -0.218 61.681 62.100 -0.335 0.000 1.003 320 T CB 1.653 70.207 68.868 -0.524 0.000 1.084 320 T HN 1.841 nan 8.240 nan 0.000 0.483 321 V N 0.663 120.489 119.914 -0.146 0.000 2.971 321 V HA 0.619 4.738 4.120 -0.000 0.000 0.309 321 V C -2.362 173.686 176.094 -0.076 0.000 1.130 321 V CA -2.203 60.030 62.300 -0.112 0.000 0.964 321 V CB 2.099 33.833 31.823 -0.147 0.000 1.029 321 V HN 0.571 nan 8.190 nan 0.000 0.427 322 P HA 0.039 nan 4.420 nan 0.000 0.221 322 P C -0.194 177.095 177.300 -0.018 0.000 1.150 322 P CA 1.292 64.379 63.100 -0.023 0.000 0.800 322 P CB 0.023 31.720 31.700 -0.005 0.000 0.787 323 D N -2.701 117.689 120.400 -0.016 0.000 2.610 323 D HA 0.161 4.801 4.640 -0.000 0.000 0.271 323 D C 0.174 176.472 176.300 -0.004 0.000 1.174 323 D CA -0.700 53.301 54.000 0.002 0.000 0.949 323 D CB -0.139 40.681 40.800 0.034 0.000 1.430 323 D HN -0.397 nan 8.370 nan 0.000 0.467 324 D N -0.660 119.756 120.400 0.027 0.000 2.144 324 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 324 D C 1.338 177.663 176.300 0.043 0.000 0.984 324 D CA 0.828 54.865 54.000 0.061 0.000 0.834 324 D CB -0.269 40.605 40.800 0.123 0.000 0.955 324 D HN 0.369 nan 8.370 nan 0.000 0.465 325 F N 1.817 121.721 119.950 -0.078 0.000 2.146 325 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 325 F C 2.032 177.751 175.800 -0.134 0.000 1.096 325 F CA 1.106 59.039 58.000 -0.111 0.000 1.275 325 F CB 0.145 39.091 39.000 -0.091 0.000 1.008 325 F HN -0.230 nan 8.300 nan 0.000 0.480 326 E N 0.317 120.398 120.200 -0.198 0.000 2.204 326 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 326 E C 2.435 178.829 176.600 -0.343 0.000 0.989 326 E CA 1.021 57.243 56.400 -0.296 0.000 0.824 326 E CB -0.864 28.766 29.700 -0.117 0.000 0.756 326 E HN 0.552 nan 8.360 nan 0.000 0.477 327 G N 0.429 109.053 108.800 -0.293 0.000 2.430 327 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 327 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 327 G C 1.797 176.454 174.900 -0.404 0.000 1.146 327 G CA 0.342 45.245 45.100 -0.329 0.000 0.793 327 G HN 0.162 nan 8.290 nan 0.000 0.537 328 V N 0.471 120.116 119.914 -0.449 0.000 2.407 328 V HA -0.203 3.916 4.120 -0.000 0.000 0.248 328 V C 2.938 178.671 176.094 -0.601 0.000 1.055 328 V CA 1.685 63.609 62.300 -0.627 0.000 1.049 328 V CB -0.430 30.957 31.823 -0.727 0.000 0.662 328 V HN 0.491 nan 8.190 nan 0.000 0.455 329 C N -0.568 118.374 119.300 -0.596 0.000 2.450 329 C HA -0.105 4.355 4.460 -0.000 0.000 0.279 329 C C 2.880 177.650 174.990 -0.367 0.000 1.335 329 C CA 1.499 60.227 59.018 -0.482 0.000 1.749 329 C CB -1.122 26.288 27.740 -0.550 0.000 1.963 329 C HN 0.619 nan 8.230 nan 0.000 0.501 330 T N 1.259 115.551 114.554 -0.436 0.000 2.904 330 T HA -0.013 4.337 4.350 -0.000 0.000 0.267 330 T C 1.593 175.905 174.700 -0.646 0.000 1.059 330 T CA 1.067 62.824 62.100 -0.571 0.000 1.137 330 T CB -0.191 68.266 68.868 -0.684 0.000 0.879 330 T HN 0.455 nan 8.240 nan 0.000 0.467 331 I N 0.969 121.278 120.570 -0.436 0.000 2.113 331 I HA -0.135 4.035 4.170 -0.000 0.000 0.238 331 I C 2.279 178.398 176.117 0.003 0.000 1.070 331 I CA 1.308 62.506 61.300 -0.169 0.000 1.332 331 I CB -0.446 37.528 38.000 -0.044 0.000 1.044 331 I HN 0.155 nan 8.210 nan 0.000 0.402 332 L N 0.254 121.461 121.223 -0.027 0.000 2.079 332 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 332 L C 2.615 179.498 176.870 0.021 0.000 1.081 332 L CA 1.516 56.371 54.840 0.024 0.000 0.752 332 L CB -0.669 41.378 42.059 -0.020 0.000 0.896 332 L HN 0.387 nan 8.230 nan 0.000 0.433 333 E N -0.317 119.866 120.200 -0.029 0.000 2.072 333 E HA -0.229 4.120 4.350 -0.000 0.000 0.191 333 E C 2.143 178.907 176.600 0.273 0.000 0.985 333 E CA 1.219 57.637 56.400 0.031 0.000 0.801 333 E CB -0.053 29.638 29.700 -0.015 0.000 0.750 333 E HN 0.421 nan 8.360 nan 0.000 0.452 334 W N 0.935 122.316 121.300 0.134 0.000 2.381 334 W HA -0.060 4.600 4.660 -0.000 0.000 0.301 334 W C 2.193 178.844 176.519 0.221 0.000 1.205 334 W CA 0.509 57.990 57.345 0.226 0.000 1.285 334 W CB -0.907 28.636 29.460 0.137 0.000 1.133 334 W HN 0.159 nan 8.180 nan 0.000 0.521 335 L N 0.787 122.221 121.223 0.353 0.000 2.131 335 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 335 L C 2.547 179.513 176.870 0.160 0.000 1.092 335 L CA 1.747 56.726 54.840 0.232 0.000 0.759 335 L CB -1.221 40.944 42.059 0.177 0.000 0.903 335 L HN -0.024 nan 8.230 nan 0.000 0.435 336 S N -1.063 114.665 115.700 0.048 0.000 2.493 336 S HA -0.196 4.274 4.470 -0.000 0.000 0.243 336 S C 1.461 175.922 174.600 -0.232 0.000 0.991 336 S CA 0.989 59.105 58.200 -0.140 0.000 0.957 336 S CB -0.549 62.481 63.200 -0.284 0.000 0.756 336 S HN 0.498 nan 8.310 nan 0.000 0.521 337 Y N 0.625 120.965 120.300 0.067 0.000 2.458 337 Y HA 0.510 5.059 4.550 -0.000 0.000 0.254 337 Y C 0.976 176.907 175.900 0.052 0.000 1.120 337 Y CA -0.480 57.640 58.100 0.033 0.000 1.282 337 Y CB 0.023 38.482 38.460 -0.001 0.000 1.109 337 Y HN 0.231 nan 8.280 nan 0.000 0.526 338 M N 2.198 121.932 119.600 0.223 0.000 2.404 338 M HA 0.361 4.841 4.480 -0.000 0.000 0.338 338 M C -2.522 173.899 176.300 0.202 0.000 1.150 338 M CA -2.107 53.303 55.300 0.184 0.000 1.016 338 M CB 1.467 34.169 32.600 0.170 0.000 1.672 338 M HN -0.250 nan 8.290 nan 0.000 0.448 339 P HA 0.027 nan 4.420 nan 0.000 0.269 339 P C -0.466 176.893 177.300 0.099 0.000 1.215 339 P CA -0.034 63.193 63.100 0.212 0.000 0.780 339 P CB 0.366 32.147 31.700 0.135 0.000 0.898 340 K N 0.935 121.277 120.400 -0.096 0.000 2.280 340 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 340 K C 0.050 176.544 176.600 -0.176 0.000 1.047 340 K CA 1.298 57.375 56.287 -0.350 0.000 0.942 340 K CB -0.468 31.453 32.500 -0.965 0.000 0.739 340 K HN 0.559 nan 8.250 nan 0.000 0.457 341 D N -1.597 118.742 120.400 -0.101 0.000 2.622 341 D HA -0.038 4.602 4.640 -0.000 0.000 0.255 341 D C -0.600 175.684 176.300 -0.028 0.000 1.246 341 D CA -0.906 53.057 54.000 -0.061 0.000 0.795 341 D CB 0.184 40.941 40.800 -0.071 0.000 1.369 341 D HN 0.162 nan 8.370 nan 0.000 0.425 342 N N -0.522 118.163 118.700 -0.026 0.000 2.626 342 N HA -0.081 4.659 4.740 -0.000 0.000 0.193 342 N C 0.751 176.252 175.510 -0.015 0.000 1.213 342 N CA 0.006 53.043 53.050 -0.021 0.000 0.914 342 N CB 0.158 38.626 38.487 -0.032 0.000 0.994 342 N HN 0.216 nan 8.380 nan 0.000 0.447 343 R N -0.054 120.439 120.500 -0.012 0.000 2.250 343 R HA 0.195 4.535 4.340 -0.000 0.000 0.194 343 R C 0.132 176.438 176.300 0.011 0.000 0.927 343 R CA -0.056 56.042 56.100 -0.004 0.000 1.052 343 R CB 0.579 30.873 30.300 -0.009 0.000 1.055 343 R HN 0.075 nan 8.270 nan 0.000 0.537 344 S N 2.093 117.802 115.700 0.015 0.000 2.603 344 S HA 0.262 4.732 4.470 -0.000 0.000 0.268 344 S C -2.120 172.522 174.600 0.069 0.000 1.317 344 S CA -1.016 57.210 58.200 0.043 0.000 1.012 344 S CB 1.013 64.236 63.200 0.039 0.000 0.926 344 S HN 0.066 nan 8.310 nan 0.000 0.539 345 P HA 0.281 nan 4.420 nan 0.000 0.278 345 P C -0.536 176.831 177.300 0.112 0.000 1.266 345 P CA -0.709 62.442 63.100 0.085 0.000 0.807 345 P CB 0.230 31.973 31.700 0.072 0.000 1.094 346 V N -2.278 117.690 119.914 0.089 0.000 2.617 346 V HA 0.131 4.251 4.120 -0.000 0.000 0.304 346 V C -2.015 174.118 176.094 0.064 0.000 1.040 346 V CA -1.344 61.011 62.300 0.092 0.000 1.149 346 V CB -1.002 30.872 31.823 0.084 0.000 0.914 346 V HN 0.463 nan 8.190 nan 0.000 0.487 347 P HA 0.170 nan 4.420 nan 0.000 0.266 347 P C -0.295 176.944 177.300 -0.102 0.000 1.419 347 P CA 0.054 63.081 63.100 -0.121 0.000 1.112 347 P CB 0.453 31.999 31.700 -0.256 0.000 1.438 348 V N 5.518 125.388 119.914 -0.073 0.000 2.389 348 V HA 0.094 4.214 4.120 -0.000 0.000 0.264 348 V C 1.038 177.087 176.094 -0.075 0.000 1.049 348 V CA -0.421 61.853 62.300 -0.042 0.000 0.932 348 V CB 0.979 32.798 31.823 -0.006 0.000 1.011 348 V HN 0.352 nan 8.190 nan 0.000 0.475 349 V N 2.158 122.025 119.914 -0.079 0.000 2.713 349 V HA 0.545 4.665 4.120 -0.000 0.000 0.307 349 V C 0.432 176.483 176.094 -0.071 0.000 1.052 349 V CA -0.600 61.641 62.300 -0.097 0.000 0.967 349 V CB 1.328 33.069 31.823 -0.135 0.000 1.019 349 V HN 0.681 nan 8.190 nan 0.000 0.459 350 T N 5.290 119.800 114.554 -0.075 0.000 2.902 350 T HA 0.270 4.620 4.350 -0.000 0.000 0.301 350 T C -1.992 172.657 174.700 -0.085 0.000 1.012 350 T CA 0.123 62.183 62.100 -0.067 0.000 1.151 350 T CB 0.235 69.070 68.868 -0.056 0.000 0.946 350 T HN 0.856 nan 8.240 nan 0.000 0.542 351 P HA 0.253 nan 4.420 nan 0.000 0.280 351 P C 0.469 177.707 177.300 -0.103 0.000 1.244 351 P CA -0.587 62.441 63.100 -0.120 0.000 0.784 351 P CB 1.120 32.706 31.700 -0.190 0.000 0.913 352 K N 1.828 122.170 120.400 -0.096 0.000 2.211 352 K HA -0.019 4.301 4.320 -0.000 0.000 0.201 352 K C -0.183 176.369 176.600 -0.081 0.000 1.052 352 K CA 0.624 56.859 56.287 -0.085 0.000 0.973 352 K CB 0.071 32.516 32.500 -0.092 0.000 0.766 352 K HN 0.351 nan 8.250 nan 0.000 0.466 353 D N 3.240 123.589 120.400 -0.086 0.000 2.347 353 D HA 0.208 4.848 4.640 -0.000 0.000 0.235 353 D C -2.275 173.971 176.300 -0.090 0.000 1.149 353 D CA -2.326 51.639 54.000 -0.058 0.000 0.850 353 D CB 1.281 42.059 40.800 -0.037 0.000 1.061 353 D HN 0.119 nan 8.370 nan 0.000 0.487 354 P HA 0.037 nan 4.420 nan 0.000 0.269 354 P C 0.872 178.055 177.300 -0.195 0.000 1.217 354 P CA -0.189 62.837 63.100 -0.124 0.000 0.783 354 P CB 1.247 32.907 31.700 -0.067 0.000 0.898 355 I N 0.971 121.373 120.570 -0.279 0.000 2.703 355 I HA -0.110 4.060 4.170 -0.000 0.000 0.259 355 I C 1.902 177.926 176.117 -0.155 0.000 1.151 355 I CA 0.963 62.033 61.300 -0.382 0.000 1.470 355 I CB -0.467 37.094 38.000 -0.731 0.000 1.112 355 I HN 0.372 nan 8.210 nan 0.000 0.437 356 D N 1.777 122.145 120.400 -0.054 0.000 2.350 356 D HA -0.175 4.465 4.640 -0.000 0.000 0.216 356 D C 1.077 177.360 176.300 -0.028 0.000 0.968 356 D CA 0.188 54.194 54.000 0.010 0.000 0.894 356 D CB -0.365 40.452 40.800 0.029 0.000 0.909 356 D HN 0.435 nan 8.370 nan 0.000 0.520 357 R N 0.964 121.424 120.500 -0.066 0.000 2.577 357 R HA 0.349 4.689 4.340 -0.000 0.000 0.269 357 R C -0.299 175.933 176.300 -0.113 0.000 1.084 357 R CA -0.608 55.449 56.100 -0.071 0.000 1.163 357 R CB 1.071 31.339 30.300 -0.053 0.000 1.100 357 R HN -0.176 nan 8.270 nan 0.000 0.547 358 E N 1.081 121.214 120.200 -0.112 0.000 2.283 358 E HA 0.253 4.603 4.350 -0.000 0.000 0.267 358 E C -0.461 176.015 176.600 -0.206 0.000 1.045 358 E CA -0.816 55.492 56.400 -0.154 0.000 0.884 358 E CB 1.378 31.015 29.700 -0.105 0.000 1.106 358 E HN 0.421 nan 8.360 nan 0.000 0.408 359 I N 2.073 122.463 120.570 -0.300 0.000 2.395 359 I HA 0.017 4.187 4.170 -0.000 0.000 0.289 359 I C 1.108 177.139 176.117 -0.143 0.000 1.023 359 I CA 0.281 61.399 61.300 -0.303 0.000 1.350 359 I CB 1.012 38.679 38.000 -0.556 0.000 1.409 359 I HN 0.630 nan 8.210 nan 0.000 0.507 360 E N 4.231 124.360 120.200 -0.118 0.000 2.075 360 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 360 E C 0.283 176.905 176.600 0.037 0.000 0.969 360 E CA 0.318 56.682 56.400 -0.059 0.000 0.815 360 E CB 0.218 29.843 29.700 -0.126 0.000 0.776 360 E HN 0.495 nan 8.360 nan 0.000 0.457 361 F N 2.299 122.223 119.950 -0.044 0.000 2.578 361 F HA 0.012 4.539 4.527 -0.000 0.000 0.376 361 F C -0.324 175.567 175.800 0.153 0.000 1.085 361 F CA -0.065 57.931 58.000 -0.007 0.000 1.260 361 F CB 0.534 39.508 39.000 -0.043 0.000 1.095 361 F HN -0.125 nan 8.300 nan 0.000 0.573 362 Q N 8.088 127.328 119.800 -0.933 0.000 2.394 362 Q HA 0.332 4.672 4.340 -0.000 0.000 0.259 362 Q C -2.305 172.928 176.000 -1.278 0.000 1.021 362 Q CA -2.191 53.131 55.803 -0.802 0.000 0.805 362 Q CB 0.974 29.500 28.738 -0.352 0.000 1.226 362 Q HN 0.486 nan 8.270 nan 0.000 0.476 363 P HA -0.075 nan 4.420 nan 0.000 0.266 363 P C -0.282 176.705 177.300 -0.522 0.000 1.186 363 P CA 0.552 62.958 63.100 -1.158 0.000 0.767 363 P CB 0.615 31.771 31.700 -0.906 0.000 0.820 364 S N 2.076 117.565 115.700 -0.352 0.000 2.745 364 S HA 0.422 4.892 4.470 -0.000 0.000 0.292 364 S C 0.938 175.477 174.600 -0.102 0.000 1.133 364 S CA -0.865 57.244 58.200 -0.151 0.000 0.998 364 S CB 1.576 64.749 63.200 -0.045 0.000 1.087 364 S HN 0.291 nan 8.310 nan 0.000 0.551 365 R N -0.089 120.203 120.500 -0.346 0.000 2.236 365 R HA 0.158 4.497 4.340 -0.000 0.000 0.208 365 R C 1.102 177.338 176.300 -0.106 0.000 1.036 365 R CA 0.698 56.610 56.100 -0.312 0.000 1.001 365 R CB -0.369 29.676 30.300 -0.425 0.000 0.896 365 R HN 0.734 nan 8.270 nan 0.000 0.464 366 G N 1.436 110.207 108.800 -0.048 0.000 2.552 366 G HA2 0.398 4.358 3.960 -0.000 0.000 0.324 366 G HA3 0.398 4.358 3.960 -0.000 0.000 0.324 366 G C -2.606 172.316 174.900 0.036 0.000 1.217 366 G CA -1.380 43.711 45.100 -0.015 0.000 0.989 366 G HN -0.146 nan 8.290 nan 0.000 0.490 367 P HA 0.245 nan 4.420 nan 0.000 0.271 367 P C -1.483 175.795 177.300 -0.037 0.000 1.216 367 P CA 0.171 63.183 63.100 -0.147 0.000 0.776 367 P CB 0.608 32.204 31.700 -0.173 0.000 0.881 368 Y N -1.459 118.779 120.300 -0.103 0.000 2.609 368 Y HA 0.542 5.092 4.550 -0.000 0.000 0.342 368 Y C -0.435 175.193 175.900 -0.452 0.000 1.058 368 Y CA -1.716 56.285 58.100 -0.164 0.000 1.055 368 Y CB 0.394 38.983 38.460 0.214 0.000 1.292 368 Y HN 0.139 nan 8.280 nan 0.000 0.476 369 D N 3.264 123.130 120.400 -0.891 0.000 2.358 369 D HA 0.169 4.809 4.640 -0.000 0.000 0.258 369 D C -1.717 174.283 176.300 -0.501 0.000 1.223 369 D CA -2.423 51.039 54.000 -0.896 0.000 0.886 369 D CB 1.368 41.347 40.800 -1.368 0.000 1.120 369 D HN 0.424 nan 8.370 nan 0.000 0.482 370 P HA -0.049 nan 4.420 nan 0.000 0.239 370 P C 0.712 177.904 177.300 -0.179 0.000 1.184 370 P CA 0.467 63.480 63.100 -0.145 0.000 0.760 370 P CB 0.242 31.792 31.700 -0.250 0.000 0.884 371 R N -1.714 118.648 120.500 -0.229 0.000 2.276 371 R HA -0.005 4.335 4.340 -0.000 0.000 0.203 371 R C 1.751 178.035 176.300 -0.026 0.000 1.017 371 R CA 0.648 56.658 56.100 -0.151 0.000 1.010 371 R CB -0.378 29.916 30.300 -0.009 0.000 0.900 371 R HN 0.254 nan 8.270 nan 0.000 0.469 372 W N 0.409 121.524 121.300 -0.309 0.000 2.476 372 W HA 0.068 4.728 4.660 -0.000 0.000 0.281 372 W C 1.782 177.854 176.519 -0.746 0.000 1.230 372 W CA -0.079 56.853 57.345 -0.689 0.000 1.287 372 W CB -0.694 28.035 29.460 -1.220 0.000 1.108 372 W HN 0.088 nan 8.180 nan 0.000 0.567 373 L N -0.268 120.876 121.223 -0.131 0.000 2.156 373 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 373 L C 1.956 178.907 176.870 0.135 0.000 1.095 373 L CA 1.444 56.402 54.840 0.197 0.000 0.770 373 L CB -0.267 41.896 42.059 0.174 0.000 0.914 373 L HN -0.166 nan 8.230 nan 0.000 0.439 374 L N -0.872 120.308 121.223 -0.072 0.000 2.185 374 L HA 0.162 4.502 4.340 -0.000 0.000 0.198 374 L C 2.370 179.344 176.870 0.175 0.000 1.079 374 L CA 0.867 55.668 54.840 -0.065 0.000 0.780 374 L CB -0.620 41.076 42.059 -0.604 0.000 0.955 374 L HN 0.162 nan 8.230 nan 0.000 0.462 375 A N -0.545 122.354 122.820 0.131 0.000 2.303 375 A HA 0.490 4.810 4.320 -0.000 0.000 0.217 375 A C 1.199 179.026 177.584 0.404 0.000 1.205 375 A CA 0.536 52.773 52.037 0.333 0.000 0.875 375 A CB -0.230 18.978 19.000 0.346 0.000 0.910 375 A HN 0.454 nan 8.150 nan 0.000 0.501 376 G N 0.382 109.293 108.800 0.184 0.000 2.598 376 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.244 376 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.244 376 G C -0.172 174.744 174.900 0.027 0.000 1.302 376 G CA -0.052 45.056 45.100 0.013 0.000 0.903 376 G HN 1.430 nan 8.290 nan 0.000 0.575 377 R N -1.426 119.041 120.500 -0.056 0.000 2.584 377 R HA 0.602 4.942 4.340 -0.000 0.000 0.276 377 R C -3.043 173.295 176.300 0.063 0.000 1.046 377 R CA -1.836 54.220 56.100 -0.073 0.000 0.906 377 R CB 2.089 32.110 30.300 -0.465 0.000 1.215 377 R HN 0.285 nan 8.270 nan 0.000 0.449 378 P HA -0.085 nan 4.420 nan 0.000 0.271 378 P C -0.939 176.465 177.300 0.173 0.000 1.601 378 P CA 0.740 63.951 63.100 0.185 0.000 0.856 378 P CB -0.610 31.177 31.700 0.144 0.000 1.820 379 H N -1.287 117.790 119.070 0.012 0.000 4.331 379 H HA -0.102 4.454 4.556 -0.000 0.000 0.283 379 H C -1.868 173.423 175.328 -0.061 0.000 0.655 379 H CA -0.344 55.687 56.048 -0.029 0.000 0.789 379 H CB -0.438 29.328 29.762 0.007 0.000 1.167 379 H HN 0.084 nan 8.280 nan 0.000 0.316 380 P HA -0.147 nan 4.420 nan 0.000 0.208 380 P C 1.516 178.689 177.300 -0.212 0.000 1.200 380 P CA 2.726 65.592 63.100 -0.390 0.000 0.924 380 P CB -0.145 31.314 31.700 -0.402 0.000 0.774 381 T N -0.948 113.485 114.554 -0.203 0.000 2.571 381 T HA -0.032 4.318 4.350 -0.000 0.000 0.255 381 T C 1.165 175.965 174.700 0.167 0.000 1.100 381 T CA 0.679 62.797 62.100 0.029 0.000 1.199 381 T CB -1.244 67.663 68.868 0.065 0.000 0.870 381 T HN -0.236 nan 8.240 nan 0.000 0.399 382 L N 1.647 123.094 121.223 0.373 0.000 2.468 382 L HA 0.523 4.862 4.340 -0.000 0.000 0.253 382 L C 0.439 177.447 176.870 0.231 0.000 1.237 382 L CA 0.238 55.206 54.840 0.212 0.000 0.823 382 L CB -0.091 41.957 42.059 -0.017 0.000 1.124 382 L HN 0.519 nan 8.230 nan 0.000 0.504 383 K N -0.478 119.978 120.400 0.093 0.000 2.950 383 K HA 0.502 4.822 4.320 -0.000 0.000 0.199 383 K C -0.050 176.578 176.600 0.046 0.000 1.144 383 K CA 0.581 56.920 56.287 0.087 0.000 0.983 383 K CB 0.195 32.739 32.500 0.073 0.000 1.187 383 K HN 0.728 nan 8.250 nan 0.000 0.595 384 G N -0.030 108.789 108.800 0.031 0.000 3.006 384 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.195 384 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.195 384 G C 0.630 175.575 174.900 0.075 0.000 1.034 384 G CA 0.468 45.579 45.100 0.018 0.000 0.807 384 G HN 0.780 nan 8.290 nan 0.000 0.469 385 S N -1.822 113.942 115.700 0.107 0.000 1.832 385 S HA -0.243 4.227 4.470 -0.000 0.000 0.231 385 S C 0.456 175.224 174.600 0.280 0.000 0.901 385 S CA 3.046 61.327 58.200 0.135 0.000 1.687 385 S CB -1.386 61.871 63.200 0.095 0.000 1.858 385 S HN 2.514 nan 8.310 nan 0.000 0.523 386 W N 1.720 123.047 121.300 0.045 0.000 3.319 386 W HA 0.576 5.236 4.660 -0.000 0.000 0.300 386 W C -1.478 175.104 176.519 0.106 0.000 1.244 386 W CA -0.386 56.999 57.345 0.068 0.000 1.193 386 W CB 0.238 29.727 29.460 0.048 0.000 1.359 386 W HN 0.539 nan 8.180 nan 0.000 0.568 387 Q N 3.758 123.551 119.800 -0.012 0.000 2.400 387 Q HA 0.416 4.756 4.340 -0.000 0.000 0.255 387 Q C 0.466 176.090 176.000 -0.627 0.000 1.008 387 Q CA -0.176 55.510 55.803 -0.195 0.000 0.841 387 Q CB 1.058 29.757 28.738 -0.066 0.000 1.220 387 Q HN 0.457 nan 8.270 nan 0.000 0.474 388 S N 2.048 117.052 115.700 -1.160 0.000 2.561 388 S HA 0.289 4.759 4.470 -0.000 0.000 0.294 388 S C 0.482 174.652 174.600 -0.718 0.000 1.294 388 S CA -0.058 57.143 58.200 -1.665 0.000 1.055 388 S CB 0.984 63.530 63.200 -1.090 0.000 0.819 388 S HN 0.659 nan 8.310 nan 0.000 0.503 389 G N 0.327 108.764 108.800 -0.606 0.000 3.016 389 G HA2 0.543 4.503 3.960 -0.000 0.000 0.270 389 G HA3 0.543 4.503 3.960 -0.000 0.000 0.270 389 G C -0.051 174.864 174.900 0.026 0.000 1.352 389 G CA -0.946 44.139 45.100 -0.025 0.000 1.060 389 G HN 0.649 nan 8.290 nan 0.000 0.538 390 F N -0.271 119.671 119.950 -0.013 0.000 2.075 390 F HA 0.210 4.737 4.527 -0.000 0.000 0.297 390 F C 0.911 176.559 175.800 -0.254 0.000 1.113 390 F CA 0.731 58.603 58.000 -0.213 0.000 1.218 390 F CB -0.138 38.723 39.000 -0.232 0.000 0.984 390 F HN 0.168 nan 8.300 nan 0.000 0.472 391 F N 0.971 121.101 119.950 0.300 0.000 2.368 391 F HA 0.195 4.722 4.527 -0.000 0.000 0.308 391 F C 0.520 176.449 175.800 0.215 0.000 1.198 391 F CA -0.883 57.267 58.000 0.251 0.000 1.130 391 F CB -0.074 39.112 39.000 0.309 0.000 1.300 391 F HN -0.222 nan 8.300 nan 0.000 0.537 392 D N 0.506 121.139 120.400 0.389 0.000 2.389 392 D HA -0.001 4.639 4.640 -0.000 0.000 0.247 392 D C -0.105 176.280 176.300 0.142 0.000 1.128 392 D CA -0.143 53.979 54.000 0.204 0.000 0.884 392 D CB 0.393 41.253 40.800 0.101 0.000 1.194 392 D HN 0.398 nan 8.370 nan 0.000 0.441 393 Q N 0.629 120.346 119.800 -0.138 0.000 2.339 393 Q HA 0.121 4.461 4.340 -0.000 0.000 0.308 393 Q C 0.943 176.791 176.000 -0.253 0.000 1.097 393 Q CA 0.837 56.286 55.803 -0.590 0.000 1.007 393 Q CB -0.071 27.913 28.738 -1.256 0.000 1.051 393 Q HN 0.802 nan 8.270 nan 0.000 0.381 394 G N 2.480 111.217 108.800 -0.105 0.000 2.162 394 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 394 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 394 G C 0.635 175.577 174.900 0.070 0.000 0.976 394 G CA 0.724 45.817 45.100 -0.011 0.000 0.655 394 G HN 0.806 nan 8.290 nan 0.000 0.533 395 S N -1.038 114.742 115.700 0.134 0.000 2.478 395 S HA 0.361 4.831 4.470 -0.000 0.000 0.222 395 S C 0.923 175.678 174.600 0.259 0.000 1.008 395 S CA 0.454 58.773 58.200 0.198 0.000 0.928 395 S CB 0.060 63.383 63.200 0.204 0.000 0.781 395 S HN 1.026 nan 8.310 nan 0.000 0.518 396 F N 2.986 122.987 119.950 0.085 0.000 2.506 396 F HA 0.583 5.110 4.527 -0.000 0.000 0.371 396 F C -0.155 175.671 175.800 0.044 0.000 1.078 396 F CA -0.431 57.573 58.000 0.008 0.000 1.195 396 F CB 0.510 39.522 39.000 0.020 0.000 1.099 396 F HN -0.071 nan 8.300 nan 0.000 0.548 397 K N 5.325 125.346 120.400 -0.632 0.000 2.604 397 K HA 0.191 4.511 4.320 -0.000 0.000 0.247 397 K C -0.735 175.408 176.600 -0.761 0.000 0.956 397 K CA -0.526 55.468 56.287 -0.489 0.000 0.896 397 K CB 1.219 33.680 32.500 -0.066 0.000 1.131 397 K HN 0.683 nan 8.250 nan 0.000 0.440 398 E N 3.697 123.444 120.200 -0.755 0.000 2.319 398 E HA 0.441 4.791 4.350 -0.000 0.000 0.268 398 E C -0.452 176.084 176.600 -0.107 0.000 1.050 398 E CA -0.676 55.422 56.400 -0.504 0.000 0.878 398 E CB 0.788 30.305 29.700 -0.304 0.000 1.066 398 E HN 0.593 nan 8.360 nan 0.000 0.406 399 I N -0.003 120.552 120.570 -0.025 0.000 2.828 399 I HA 0.368 4.538 4.170 -0.000 0.000 0.302 399 I C -0.253 175.872 176.117 0.013 0.000 1.101 399 I CA -1.203 60.127 61.300 0.050 0.000 1.031 399 I CB 1.672 39.665 38.000 -0.012 0.000 1.231 399 I HN 0.713 nan 8.210 nan 0.000 0.427 400 M N 2.188 121.813 119.600 0.041 0.000 2.297 400 M HA -0.186 4.294 4.480 -0.000 0.000 0.200 400 M C 0.588 176.881 176.300 -0.011 0.000 0.414 400 M CA 0.177 55.495 55.300 0.030 0.000 0.449 400 M CB -1.606 31.023 32.600 0.047 0.000 1.436 400 M HN 0.678 nan 8.290 nan 0.000 0.912 401 V N -0.584 119.299 119.914 -0.051 0.000 2.287 401 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 401 V C -0.370 175.637 176.094 -0.146 0.000 1.053 401 V CA 2.392 64.648 62.300 -0.073 0.000 1.027 401 V CB -1.298 30.514 31.823 -0.018 0.000 0.646 401 V HN 0.449 nan 8.190 nan 0.000 0.447 402 P HA -0.027 nan 4.420 nan 0.000 0.240 402 P C 0.053 177.340 177.300 -0.023 0.000 1.190 402 P CA 0.362 63.312 63.100 -0.251 0.000 0.781 402 P CB 0.048 31.325 31.700 -0.706 0.000 0.931 403 W N 1.358 122.535 121.300 -0.205 0.000 2.365 403 W HA 0.527 5.187 4.660 -0.000 0.000 0.316 403 W C -0.121 176.359 176.519 -0.065 0.000 1.164 403 W CA -0.888 56.388 57.345 -0.116 0.000 1.204 403 W CB 0.096 29.475 29.460 -0.135 0.000 1.213 403 W HN 0.072 nan 8.180 nan 0.000 0.539 404 A N 5.111 127.595 122.820 -0.560 0.000 2.046 404 A HA -0.301 4.019 4.320 -0.000 0.000 0.265 404 A C 1.233 178.651 177.584 -0.276 0.000 1.343 404 A CA 1.353 53.062 52.037 -0.548 0.000 0.749 404 A CB -1.375 16.990 19.000 -1.060 0.000 1.171 404 A HN 0.811 nan 8.150 nan 0.000 0.316 405 Q N 0.057 119.772 119.800 -0.142 0.000 2.541 405 Q HA -0.111 4.229 4.340 -0.000 0.000 0.215 405 Q C 1.916 177.877 176.000 -0.064 0.000 0.977 405 Q CA 1.357 57.106 55.803 -0.089 0.000 0.934 405 Q CB -0.288 28.410 28.738 -0.068 0.000 0.988 405 Q HN 1.138 nan 8.270 nan 0.000 0.521 406 T N -3.351 111.192 114.554 -0.019 0.000 3.113 406 T HA 0.135 4.485 4.350 -0.000 0.000 0.256 406 T C 0.541 175.260 174.700 0.030 0.000 1.131 406 T CA -0.114 62.005 62.100 0.031 0.000 1.074 406 T CB 0.409 69.387 68.868 0.183 0.000 0.944 406 T HN 0.010 nan 8.240 nan 0.000 0.516 407 V N 1.564 121.504 119.914 0.043 0.000 2.709 407 V HA 0.599 4.719 4.120 -0.000 0.000 0.308 407 V C -1.175 174.943 176.094 0.040 0.000 1.062 407 V CA -0.986 61.375 62.300 0.102 0.000 0.901 407 V CB 2.258 34.250 31.823 0.280 0.000 1.003 407 V HN 0.211 nan 8.190 nan 0.000 0.425 408 V N 5.498 125.452 119.914 0.066 0.000 2.370 408 V HA 0.615 4.735 4.120 -0.000 0.000 0.279 408 V C 0.225 176.436 176.094 0.196 0.000 1.029 408 V CA -0.231 62.130 62.300 0.103 0.000 0.870 408 V CB 1.514 33.376 31.823 0.064 0.000 0.984 408 V HN 1.015 nan 8.190 nan 0.000 0.451 409 T N 1.480 116.156 114.554 0.203 0.000 2.841 409 T HA 0.927 5.277 4.350 -0.000 0.000 0.283 409 T C -0.023 174.836 174.700 0.264 0.000 1.000 409 T CA -0.134 62.124 62.100 0.264 0.000 0.977 409 T CB 1.998 70.957 68.868 0.153 0.000 0.979 409 T HN 1.162 nan 8.240 nan 0.000 0.446 410 G N 1.752 110.742 108.800 0.317 0.000 2.490 410 G HA2 0.614 4.574 3.960 -0.000 0.000 0.308 410 G HA3 0.614 4.574 3.960 -0.000 0.000 0.308 410 G C -1.793 172.952 174.900 -0.257 0.000 1.286 410 G CA -1.158 43.929 45.100 -0.021 0.000 0.825 410 G HN 0.807 nan 8.290 nan 0.000 0.479 411 R N -0.943 119.241 120.500 -0.527 0.000 2.854 411 R HA 0.867 5.207 4.340 -0.000 0.000 0.271 411 R C -0.504 175.455 176.300 -0.567 0.000 0.996 411 R CA -0.265 55.375 56.100 -0.767 0.000 0.961 411 R CB 2.262 31.785 30.300 -1.294 0.000 1.182 411 R HN 1.119 nan 8.270 nan 0.000 0.479 412 A N 1.373 123.915 122.820 -0.464 0.000 2.566 412 A HA 0.578 4.898 4.320 -0.000 0.000 0.290 412 A C -1.479 176.116 177.584 0.018 0.000 1.071 412 A CA -0.885 51.030 52.037 -0.203 0.000 0.658 412 A CB 1.538 20.092 19.000 -0.743 0.000 1.285 412 A HN 0.647 nan 8.150 nan 0.000 0.427 413 R N -0.208 120.419 120.500 0.212 0.000 2.494 413 R HA 0.579 4.919 4.340 -0.000 0.000 0.305 413 R C -1.524 175.052 176.300 0.459 0.000 0.959 413 R CA -0.703 55.571 56.100 0.290 0.000 0.864 413 R CB 1.958 32.375 30.300 0.194 0.000 1.159 413 R HN 0.520 nan 8.270 nan 0.000 0.446 414 L N 2.153 123.645 121.223 0.450 0.000 2.313 414 L HA 0.390 4.729 4.340 -0.000 0.000 0.273 414 L C 0.591 177.577 176.870 0.194 0.000 1.028 414 L CA 0.528 55.586 54.840 0.364 0.000 0.871 414 L CB 1.257 43.568 42.059 0.420 0.000 1.242 414 L HN 0.914 nan 8.230 nan 0.000 0.434 415 G N 3.315 112.088 108.800 -0.045 0.000 2.323 415 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.292 415 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.292 415 G C 1.003 175.867 174.900 -0.059 0.000 1.040 415 G CA 0.493 45.409 45.100 -0.307 0.000 0.942 415 G HN 1.970 nan 8.290 nan 0.000 0.506 416 G N -1.612 107.199 108.800 0.018 0.000 2.179 416 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 416 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 416 G C 0.419 175.361 174.900 0.069 0.000 0.977 416 G CA 0.368 45.482 45.100 0.024 0.000 0.641 416 G HN 1.455 nan 8.290 nan 0.000 0.533 417 I N 3.009 123.663 120.570 0.140 0.000 2.337 417 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 417 I C -1.751 174.466 176.117 0.167 0.000 1.046 417 I CA -2.235 59.145 61.300 0.134 0.000 1.324 417 I CB 1.159 39.233 38.000 0.124 0.000 1.409 417 I HN -0.081 nan 8.210 nan 0.000 0.494 418 P HA 0.198 nan 4.420 nan 0.000 0.275 418 P C -0.686 176.688 177.300 0.124 0.000 1.227 418 P CA -0.077 63.143 63.100 0.201 0.000 0.781 418 P CB 1.576 33.427 31.700 0.251 0.000 0.906 419 V N -0.256 119.682 119.914 0.041 0.000 3.159 419 V HA 0.904 5.024 4.120 -0.000 0.000 0.308 419 V C -0.189 175.743 176.094 -0.269 0.000 1.190 419 V CA -1.056 61.233 62.300 -0.018 0.000 1.037 419 V CB 1.704 33.608 31.823 0.137 0.000 1.060 419 V HN 0.628 nan 8.190 nan 0.000 0.437 420 G N 0.784 109.394 108.800 -0.316 0.000 2.372 420 G HA2 0.594 4.554 3.960 -0.000 0.000 0.283 420 G HA3 0.594 4.554 3.960 -0.000 0.000 0.283 420 G C -0.910 173.871 174.900 -0.199 0.000 1.177 420 G CA -0.538 44.102 45.100 -0.766 0.000 0.842 420 G HN 1.130 nan 8.290 nan 0.000 0.503 421 V N 3.197 123.052 119.914 -0.099 0.000 2.540 421 V HA 0.517 4.637 4.120 -0.000 0.000 0.302 421 V C -0.265 176.046 176.094 0.362 0.000 1.035 421 V CA -0.555 61.869 62.300 0.207 0.000 0.873 421 V CB 1.674 33.580 31.823 0.137 0.000 0.992 421 V HN 0.651 nan 8.190 nan 0.000 0.428 422 I N 3.878 124.677 120.570 0.381 0.000 2.500 422 I HA 0.764 4.934 4.170 -0.000 0.000 0.286 422 I C -0.159 176.173 176.117 0.359 0.000 1.063 422 I CA -0.476 61.047 61.300 0.371 0.000 1.062 422 I CB 1.945 40.174 38.000 0.382 0.000 1.223 422 I HN 0.694 nan 8.210 nan 0.000 0.435 423 A N 4.729 127.678 122.820 0.216 0.000 2.371 423 A HA 0.899 5.219 4.320 -0.000 0.000 0.311 423 A C -0.264 177.225 177.584 -0.159 0.000 1.068 423 A CA -0.606 51.455 52.037 0.040 0.000 0.744 423 A CB 1.503 20.460 19.000 -0.073 0.000 1.239 423 A HN 0.776 nan 8.150 nan 0.000 0.435 424 A N 1.360 123.824 122.820 -0.594 0.000 2.462 424 A HA 0.521 4.841 4.320 -0.000 0.000 0.243 424 A C 0.208 177.456 177.584 -0.559 0.000 1.076 424 A CA 0.109 51.596 52.037 -0.915 0.000 0.773 424 A CB 0.008 17.895 19.000 -1.855 0.000 1.010 424 A HN 0.928 nan 8.150 nan 0.000 0.493 425 E N 0.922 120.874 120.200 -0.415 0.000 2.197 425 E HA 0.412 4.762 4.350 -0.000 0.000 0.281 425 E C 0.895 177.268 176.600 -0.379 0.000 0.995 425 E CA 0.183 56.373 56.400 -0.349 0.000 0.808 425 E CB 1.066 30.634 29.700 -0.220 0.000 1.093 425 E HN 0.614 nan 8.360 nan 0.000 0.394 426 T N 1.203 115.497 114.554 -0.434 0.000 3.040 426 T HA 0.228 4.578 4.350 -0.000 0.000 0.252 426 T C 0.642 175.177 174.700 -0.275 0.000 1.064 426 T CA -0.130 61.742 62.100 -0.380 0.000 1.110 426 T CB 0.001 68.589 68.868 -0.467 0.000 0.921 426 T HN 0.308 nan 8.240 nan 0.000 0.480 427 R N 1.940 122.275 120.500 -0.275 0.000 2.590 427 R HA 0.339 4.678 4.340 -0.000 0.000 0.274 427 R C -0.231 175.992 176.300 -0.128 0.000 1.061 427 R CA -0.076 55.909 56.100 -0.191 0.000 1.081 427 R CB 0.134 30.315 30.300 -0.199 0.000 0.984 427 R HN 0.081 nan 8.270 nan 0.000 0.448 428 T N 2.988 117.490 114.554 -0.087 0.000 2.784 428 T HA 0.091 4.441 4.350 -0.000 0.000 0.291 428 T C 0.088 174.753 174.700 -0.058 0.000 0.942 428 T CA -0.280 61.789 62.100 -0.051 0.000 1.161 428 T CB 0.241 69.090 68.868 -0.031 0.000 0.885 428 T HN 0.389 nan 8.240 nan 0.000 0.534 429 V N 3.485 123.364 119.914 -0.057 0.000 2.583 429 V HA 0.463 4.583 4.120 -0.000 0.000 0.287 429 V C 0.097 176.153 176.094 -0.062 0.000 1.051 429 V CA -0.618 61.643 62.300 -0.065 0.000 1.010 429 V CB 1.114 32.895 31.823 -0.071 0.000 0.988 429 V HN 0.675 nan 8.190 nan 0.000 0.478 430 E N 5.434 125.605 120.200 -0.048 0.000 2.028 430 E HA 0.306 4.656 4.350 -0.000 0.000 0.266 430 E C -0.645 175.936 176.600 -0.031 0.000 0.962 430 E CA -0.396 55.981 56.400 -0.037 0.000 0.784 430 E CB 1.621 31.307 29.700 -0.023 0.000 1.114 430 E HN 0.791 nan 8.360 nan 0.000 0.414 431 L N 3.109 124.306 121.223 -0.044 0.000 2.276 431 L HA 0.203 4.543 4.340 -0.000 0.000 0.286 431 L C -0.751 176.111 176.870 -0.014 0.000 1.061 431 L CA -0.519 54.305 54.840 -0.027 0.000 0.807 431 L CB 1.186 43.212 42.059 -0.054 0.000 1.177 431 L HN 0.097 nan 8.230 nan 0.000 0.429 432 V N 6.598 126.512 119.914 0.001 0.000 2.304 432 V HA 0.218 4.338 4.120 -0.000 0.000 0.269 432 V C 0.176 176.264 176.094 -0.010 0.000 1.036 432 V CA -0.644 61.651 62.300 -0.010 0.000 0.840 432 V CB 1.124 32.936 31.823 -0.019 0.000 1.036 432 V HN 0.576 nan 8.190 nan 0.000 0.466 433 V N 9.665 129.578 119.914 -0.002 0.000 2.446 433 V HA 0.164 4.283 4.120 -0.000 0.000 0.276 433 V C -1.519 174.571 176.094 -0.006 0.000 1.030 433 V CA -0.973 61.331 62.300 0.007 0.000 1.033 433 V CB 1.140 32.973 31.823 0.017 0.000 0.993 433 V HN 0.724 nan 8.190 nan 0.000 0.477 434 P HA 0.279 nan 4.420 nan 0.000 0.277 434 P C -0.454 176.845 177.300 -0.002 0.000 1.240 434 P CA -0.391 62.695 63.100 -0.024 0.000 0.798 434 P CB 0.968 32.638 31.700 -0.049 0.000 0.979 435 A N 1.939 124.759 122.820 -0.001 0.000 2.511 435 A HA 0.072 4.392 4.320 -0.000 0.000 0.242 435 A C 0.358 177.954 177.584 0.021 0.000 1.069 435 A CA 0.138 52.180 52.037 0.008 0.000 0.763 435 A CB -0.594 18.408 19.000 0.003 0.000 1.001 435 A HN 0.531 nan 8.150 nan 0.000 0.498 436 D N 2.911 123.327 120.400 0.026 0.000 2.411 436 D HA 0.366 5.006 4.640 -0.000 0.000 0.225 436 D C -1.726 174.585 176.300 0.020 0.000 1.156 436 D CA -2.009 52.016 54.000 0.042 0.000 0.874 436 D CB 1.017 41.843 40.800 0.042 0.000 1.034 436 D HN 0.145 nan 8.370 nan 0.000 0.502 437 P HA -0.066 nan 4.420 nan 0.000 0.223 437 P C 0.811 178.037 177.300 -0.124 0.000 1.144 437 P CA 0.722 63.789 63.100 -0.056 0.000 0.783 437 P CB 0.289 31.946 31.700 -0.072 0.000 0.771 438 A N -0.643 122.120 122.820 -0.095 0.000 1.930 438 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 438 A C 1.353 178.909 177.584 -0.047 0.000 1.176 438 A CA 0.569 52.547 52.037 -0.098 0.000 0.632 438 A CB -1.029 17.960 19.000 -0.019 0.000 0.819 438 A HN 0.249 nan 8.150 nan 0.000 0.445 439 N N 0.325 119.015 118.700 -0.017 0.000 2.422 439 N HA 0.322 5.062 4.740 -0.000 0.000 0.264 439 N C 0.525 176.027 175.510 -0.014 0.000 1.063 439 N CA -0.327 52.719 53.050 -0.008 0.000 0.959 439 N CB 0.682 39.174 38.487 0.009 0.000 1.087 439 N HN 0.257 nan 8.380 nan 0.000 0.483 440 L N 2.442 123.656 121.223 -0.016 0.000 2.201 440 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 440 L C 1.046 177.910 176.870 -0.010 0.000 1.105 440 L CA 0.865 55.695 54.840 -0.016 0.000 0.775 440 L CB -0.134 41.915 42.059 -0.017 0.000 0.913 440 L HN 0.649 nan 8.230 nan 0.000 0.440 441 D N -1.618 118.779 120.400 -0.005 0.000 2.340 441 D HA -0.003 4.637 4.640 -0.000 0.000 0.217 441 D C 0.828 177.128 176.300 -0.000 0.000 1.081 441 D CA 0.116 54.115 54.000 -0.002 0.000 0.842 441 D CB 0.227 41.026 40.800 -0.001 0.000 0.934 441 D HN 0.009 nan 8.370 nan 0.000 0.511 442 S N 0.511 116.211 115.700 0.000 0.000 2.528 442 S HA 0.207 4.677 4.470 -0.000 0.000 0.277 442 S C -0.148 174.453 174.600 0.001 0.000 1.297 442 S CA -0.247 57.955 58.200 0.003 0.000 1.052 442 S CB 0.992 64.197 63.200 0.007 0.000 0.917 442 S HN 0.029 nan 8.310 nan 0.000 0.492 443 E N 1.971 122.173 120.200 0.002 0.000 2.378 443 E HA 0.654 5.004 4.350 -0.000 0.000 0.265 443 E C -0.895 175.705 176.600 -0.000 0.000 0.932 443 E CA -1.006 55.394 56.400 -0.000 0.000 0.795 443 E CB 1.318 31.018 29.700 -0.000 0.000 1.296 443 E HN 0.637 nan 8.360 nan 0.000 0.438 444 A N 1.816 124.634 122.820 -0.003 0.000 2.457 444 A HA 0.116 4.436 4.320 -0.000 0.000 0.298 444 A C -0.169 177.411 177.584 -0.005 0.000 1.288 444 A CA 0.005 52.038 52.037 -0.007 0.000 0.956 444 A CB -0.237 18.756 19.000 -0.012 0.000 1.135 444 A HN 0.308 nan 8.150 nan 0.000 0.535 445 K N 3.650 124.048 120.400 -0.003 0.000 2.258 445 K HA 0.393 4.713 4.320 -0.000 0.000 0.284 445 K C -0.928 175.669 176.600 -0.005 0.000 1.051 445 K CA -0.247 56.039 56.287 -0.002 0.000 0.923 445 K CB 0.392 32.895 32.500 0.003 0.000 1.046 445 K HN 0.678 nan 8.250 nan 0.000 0.474 446 I N 6.825 127.390 120.570 -0.007 0.000 2.301 446 I HA 0.222 4.391 4.170 -0.000 0.000 0.292 446 I C 0.100 176.207 176.117 -0.017 0.000 1.046 446 I CA -0.382 60.911 61.300 -0.012 0.000 1.282 446 I CB 0.668 38.662 38.000 -0.010 0.000 1.409 446 I HN 0.382 nan 8.210 nan 0.000 0.484 447 I N 5.774 126.327 120.570 -0.029 0.000 2.525 447 I HA 0.329 4.499 4.170 -0.000 0.000 0.301 447 I C -0.313 175.764 176.117 -0.068 0.000 0.992 447 I CA -0.935 60.337 61.300 -0.046 0.000 1.162 447 I CB 1.530 39.494 38.000 -0.059 0.000 1.332 447 I HN 0.429 nan 8.210 nan 0.000 0.458 448 Q N 4.410 124.170 119.800 -0.068 0.000 2.290 448 Q HA 0.371 4.711 4.340 -0.000 0.000 0.259 448 Q C -1.197 174.730 176.000 -0.121 0.000 0.941 448 Q CA -0.310 55.453 55.803 -0.066 0.000 0.912 448 Q CB 1.606 30.332 28.738 -0.020 0.000 1.244 448 Q HN 0.387 nan 8.270 nan 0.000 0.441 449 Q N 1.381 121.089 119.800 -0.153 0.000 2.394 449 Q HA 0.619 4.958 4.340 -0.000 0.000 0.259 449 Q C -0.777 175.273 176.000 0.084 0.000 1.021 449 Q CA -0.791 54.863 55.803 -0.249 0.000 0.805 449 Q CB 1.638 30.115 28.738 -0.434 0.000 1.226 449 Q HN 0.718 nan 8.270 nan 0.000 0.476 450 A N 2.322 125.323 122.820 0.301 0.000 2.546 450 A HA 0.381 4.701 4.320 -0.000 0.000 0.243 450 A C 0.772 178.460 177.584 0.174 0.000 1.063 450 A CA 0.365 52.526 52.037 0.207 0.000 0.757 450 A CB 0.101 19.219 19.000 0.197 0.000 0.991 450 A HN 0.766 nan 8.150 nan 0.000 0.503 451 G N 0.633 109.446 108.800 0.021 0.000 2.664 451 G HA2 0.383 4.343 3.960 -0.000 0.000 0.242 451 G HA3 0.383 4.343 3.960 -0.000 0.000 0.242 451 G C 0.344 175.167 174.900 -0.127 0.000 1.225 451 G CA 0.346 45.400 45.100 -0.076 0.000 0.849 451 G HN 1.139 nan 8.290 nan 0.000 0.581 452 Q N -2.773 116.871 119.800 -0.259 0.000 2.460 452 Q HA -0.183 4.157 4.340 -0.000 0.000 0.248 452 Q C -0.250 175.640 176.000 -0.183 0.000 0.847 452 Q CA 0.726 56.304 55.803 -0.373 0.000 1.214 452 Q CB -2.003 26.559 28.738 -0.293 0.000 1.523 452 Q HN 0.333 nan 8.270 nan 0.000 0.602 453 V N 0.047 119.911 119.914 -0.084 0.000 2.656 453 V HA 0.436 4.556 4.120 -0.000 0.000 0.307 453 V C -0.167 175.875 176.094 -0.086 0.000 1.051 453 V CA -0.683 61.532 62.300 -0.141 0.000 0.893 453 V CB 1.507 33.120 31.823 -0.350 0.000 0.999 453 V HN 0.172 nan 8.190 nan 0.000 0.426 454 W N 4.230 125.391 121.300 -0.232 0.000 2.332 454 W HA 0.561 5.221 4.660 0.000 0.000 0.306 454 W C -0.436 175.981 176.519 -0.171 0.000 1.149 454 W CA -1.028 56.178 57.345 -0.231 0.000 1.271 454 W CB 0.883 29.939 29.460 -0.674 0.000 1.243 454 W HN 0.419 nan 8.180 nan 0.000 0.459 455 F N 4.722 124.859 119.950 0.313 0.000 2.410 455 F HA 0.298 4.825 4.527 -0.000 0.000 0.324 455 F C -0.871 175.070 175.800 0.235 0.000 1.093 455 F CA -2.227 55.915 58.000 0.235 0.000 1.028 455 F CB -0.065 39.025 39.000 0.150 0.000 1.309 455 F HN 0.097 nan 8.300 nan 0.000 0.499 456 P HA -0.190 nan 4.420 nan 0.000 0.216 456 P C 0.835 178.275 177.300 0.232 0.000 1.150 456 P CA 1.783 65.115 63.100 0.386 0.000 0.843 456 P CB -0.035 31.899 31.700 0.391 0.000 0.787 457 D N -0.672 119.851 120.400 0.205 0.000 2.137 457 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 457 D C 1.707 177.878 176.300 -0.215 0.000 0.970 457 D CA 1.766 55.809 54.000 0.072 0.000 0.837 457 D CB -1.237 39.632 40.800 0.115 0.000 0.981 457 D HN 0.230 nan 8.370 nan 0.000 0.475 458 S N 0.012 115.696 115.700 -0.026 0.000 2.470 458 S HA 0.270 4.740 4.470 -0.000 0.000 0.225 458 S C 2.133 176.789 174.600 0.093 0.000 1.006 458 S CA 0.454 58.652 58.200 -0.003 0.000 0.934 458 S CB -0.226 63.110 63.200 0.227 0.000 0.778 458 S HN 0.408 nan 8.310 nan 0.000 0.517 459 A N 1.079 123.940 122.820 0.069 0.000 1.897 459 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 459 A C 2.065 179.647 177.584 -0.002 0.000 1.181 459 A CA 1.178 53.119 52.037 -0.161 0.000 0.620 459 A CB -1.131 17.884 19.000 0.026 0.000 0.821 459 A HN 0.531 nan 8.150 nan 0.000 0.443 460 Y N 0.858 121.081 120.300 -0.127 0.000 2.181 460 Y HA -0.179 4.370 4.550 -0.000 0.000 0.288 460 Y C 2.300 178.160 175.900 -0.067 0.000 1.146 460 Y CA 1.875 59.901 58.100 -0.123 0.000 1.164 460 Y CB -0.617 37.598 38.460 -0.408 0.000 0.982 460 Y HN 0.408 nan 8.280 nan 0.000 0.515 461 K N -0.856 119.375 120.400 -0.281 0.000 2.032 461 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 461 K C 1.963 178.487 176.600 -0.127 0.000 1.048 461 K CA 2.063 58.100 56.287 -0.417 0.000 0.927 461 K CB -0.208 31.814 32.500 -0.796 0.000 0.712 461 K HN 0.258 nan 8.250 nan 0.000 0.441 462 T N 0.573 115.100 114.554 -0.044 0.000 2.652 462 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 462 T C 1.880 176.576 174.700 -0.006 0.000 1.039 462 T CA 1.528 63.640 62.100 0.021 0.000 1.153 462 T CB -0.402 68.485 68.868 0.032 0.000 0.863 462 T HN 0.429 nan 8.240 nan 0.000 0.428 463 A N 0.846 123.678 122.820 0.020 0.000 2.015 463 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 463 A C 2.242 179.870 177.584 0.073 0.000 1.163 463 A CA 1.748 53.834 52.037 0.082 0.000 0.646 463 A CB -0.618 18.504 19.000 0.203 0.000 0.806 463 A HN 0.432 nan 8.150 nan 0.000 0.448 464 Q N 0.046 119.871 119.800 0.041 0.000 2.016 464 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 464 Q C 2.141 178.056 176.000 -0.142 0.000 0.978 464 Q CA 2.248 58.036 55.803 -0.026 0.000 0.833 464 Q CB -0.647 28.048 28.738 -0.072 0.000 0.895 464 Q HN 0.515 nan 8.270 nan 0.000 0.427 465 A N 0.333 122.997 122.820 -0.261 0.000 1.883 465 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 465 A C 2.183 179.439 177.584 -0.547 0.000 1.186 465 A CA 1.718 53.358 52.037 -0.662 0.000 0.624 465 A CB -0.959 17.777 19.000 -0.439 0.000 0.822 465 A HN 0.491 nan 8.150 nan 0.000 0.444 466 I N -0.380 120.134 120.570 -0.093 0.000 2.091 466 I HA -0.340 3.830 4.170 -0.000 0.000 0.239 466 I C 2.562 178.804 176.117 0.208 0.000 1.061 466 I CA 1.999 63.399 61.300 0.166 0.000 1.317 466 I CB -0.335 37.756 38.000 0.151 0.000 1.031 466 I HN 0.305 nan 8.210 nan 0.000 0.401 467 K N 0.287 120.738 120.400 0.086 0.000 2.057 467 K HA -0.204 4.115 4.320 -0.000 0.000 0.207 467 K C 1.773 178.395 176.600 0.037 0.000 1.049 467 K CA 1.838 58.166 56.287 0.068 0.000 0.931 467 K CB -0.262 32.295 32.500 0.095 0.000 0.714 467 K HN 0.276 nan 8.250 nan 0.000 0.440 468 D N 0.161 120.572 120.400 0.019 0.000 2.103 468 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 468 D C 1.715 178.055 176.300 0.066 0.000 0.978 468 D CA 0.994 55.030 54.000 0.060 0.000 0.829 468 D CB -0.161 40.632 40.800 -0.011 0.000 0.981 468 D HN 0.038 nan 8.370 nan 0.000 0.464 469 F N 0.805 120.805 119.950 0.082 0.000 2.293 469 F HA -0.050 4.477 4.527 0.000 0.000 0.300 469 F C 2.141 177.948 175.800 0.011 0.000 1.086 469 F CA 0.472 58.517 58.000 0.075 0.000 1.375 469 F CB -1.198 37.893 39.000 0.152 0.000 1.045 469 F HN -0.029 nan 8.300 nan 0.000 0.516 470 N N 0.813 119.543 118.700 0.049 0.000 2.166 470 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 470 N C 1.722 177.099 175.510 -0.222 0.000 1.019 470 N CA 1.098 53.923 53.050 -0.375 0.000 0.856 470 N CB -0.112 38.045 38.487 -0.550 0.000 0.993 470 N HN 0.161 nan 8.380 nan 0.000 0.426 471 R N -0.039 120.367 120.500 -0.157 0.000 2.275 471 R HA 0.143 4.483 4.340 -0.000 0.000 0.199 471 R C 1.234 177.477 176.300 -0.095 0.000 0.989 471 R CA 0.531 56.516 56.100 -0.192 0.000 1.016 471 R CB 0.144 30.213 30.300 -0.385 0.000 0.918 471 R HN 0.409 nan 8.270 nan 0.000 0.473 472 E N 0.693 120.890 120.200 -0.006 0.000 2.442 472 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 472 E C -0.188 176.432 176.600 0.034 0.000 1.030 472 E CA 0.069 56.497 56.400 0.046 0.000 0.869 472 E CB 0.422 30.192 29.700 0.117 0.000 0.857 472 E HN 0.012 nan 8.360 nan 0.000 0.505 473 K N 0.282 120.679 120.400 -0.005 0.000 3.161 473 K HA -0.180 4.140 4.320 -0.000 0.000 0.270 473 K C -0.606 176.020 176.600 0.043 0.000 1.115 473 K CA 0.562 56.843 56.287 -0.009 0.000 0.789 473 K CB -2.180 30.319 32.500 -0.001 0.000 1.256 473 K HN 0.240 nan 8.250 nan 0.000 0.492 474 L N 1.278 122.548 121.223 0.077 0.000 2.322 474 L HA 0.389 4.729 4.340 -0.000 0.000 0.279 474 L C -1.831 175.168 176.870 0.215 0.000 1.036 474 L CA -2.174 52.738 54.840 0.120 0.000 0.807 474 L CB 1.346 43.451 42.059 0.077 0.000 1.226 474 L HN -0.134 nan 8.230 nan 0.000 0.433 475 P HA 0.134 nan 4.420 nan 0.000 0.271 475 P C -0.965 176.453 177.300 0.197 0.000 1.218 475 P CA -0.395 62.837 63.100 0.219 0.000 0.780 475 P CB 0.901 32.684 31.700 0.139 0.000 0.901 476 L N 3.315 124.622 121.223 0.140 0.000 2.331 476 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 476 L C -0.713 176.177 176.870 0.032 0.000 1.022 476 L CA -0.416 54.457 54.840 0.054 0.000 0.812 476 L CB 1.026 42.983 42.059 -0.171 0.000 1.257 476 L HN 0.280 nan 8.230 nan 0.000 0.435 477 M N 6.418 126.074 119.600 0.093 0.000 2.151 477 M HA 0.457 4.937 4.480 -0.000 0.000 0.290 477 M C -1.311 175.016 176.300 0.046 0.000 0.965 477 M CA -0.228 55.097 55.300 0.042 0.000 0.930 477 M CB 1.733 34.445 32.600 0.187 0.000 1.560 477 M HN 0.447 nan 8.290 nan 0.000 0.438 478 I N 3.072 123.597 120.570 -0.075 0.000 2.339 478 I HA 0.339 4.508 4.170 -0.000 0.000 0.290 478 I C -0.949 175.075 176.117 -0.155 0.000 0.994 478 I CA -0.353 60.975 61.300 0.048 0.000 1.191 478 I CB 0.917 38.998 38.000 0.136 0.000 1.343 478 I HN 0.540 nan 8.210 nan 0.000 0.458 479 F N 5.647 125.614 119.950 0.028 0.000 2.359 479 F HA 0.484 5.011 4.527 -0.000 0.000 0.355 479 F C 0.898 176.565 175.800 -0.223 0.000 1.132 479 F CA -0.509 57.427 58.000 -0.107 0.000 1.246 479 F CB 0.621 39.545 39.000 -0.126 0.000 1.569 479 F HN 0.470 nan 8.300 nan 0.000 0.561 480 A N 2.469 125.241 122.820 -0.080 0.000 2.401 480 A HA 0.518 4.837 4.320 -0.000 0.000 0.259 480 A C 0.354 177.734 177.584 -0.341 0.000 1.103 480 A CA -0.178 51.769 52.037 -0.149 0.000 0.789 480 A CB 0.314 19.381 19.000 0.111 0.000 1.035 480 A HN 0.620 nan 8.150 nan 0.000 0.491 481 N N 1.917 120.216 118.700 -0.667 0.000 3.091 481 N HA 0.079 4.819 4.740 -0.000 0.000 0.185 481 N C -2.043 173.017 175.510 -0.749 0.000 1.398 481 N CA -0.191 52.521 53.050 -0.563 0.000 0.938 481 N CB 0.155 38.321 38.487 -0.536 0.000 1.605 481 N HN 0.670 nan 8.380 nan 0.000 0.597 482 W N 1.489 122.583 121.300 -0.342 0.000 2.587 482 W HA 0.416 5.076 4.660 0.000 0.000 0.324 482 W C 1.165 177.524 176.519 -0.267 0.000 1.040 482 W CA -0.517 56.556 57.345 -0.452 0.000 1.222 482 W CB 1.477 30.439 29.460 -0.830 0.000 1.381 482 W HN 0.211 nan 8.180 nan 0.000 0.483 483 R N 1.250 121.726 120.500 -0.040 0.000 2.240 483 R HA 0.258 4.598 4.340 -0.000 0.000 0.203 483 R C 1.055 177.363 176.300 0.012 0.000 1.011 483 R CA 0.823 56.911 56.100 -0.020 0.000 1.007 483 R CB 0.305 30.580 30.300 -0.042 0.000 0.911 483 R HN 0.642 nan 8.270 nan 0.000 0.468 484 G N -0.388 108.406 108.800 -0.011 0.000 2.315 484 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.296 484 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.296 484 G C -1.208 173.651 174.900 -0.068 0.000 1.289 484 G CA -1.100 44.005 45.100 0.007 0.000 0.996 484 G HN -0.005 nan 8.290 nan 0.000 0.487 485 F N 1.452 121.455 119.950 0.088 0.000 2.370 485 F HA 0.577 5.104 4.527 0.000 0.000 0.324 485 F C 1.518 177.279 175.800 -0.065 0.000 1.116 485 F CA 0.300 58.328 58.000 0.047 0.000 1.123 485 F CB 1.692 40.724 39.000 0.054 0.000 1.238 485 F HN 0.581 nan 8.300 nan 0.000 0.536 486 S N 0.088 115.803 115.700 0.025 0.000 2.510 486 S HA 0.328 4.798 4.470 -0.000 0.000 0.279 486 S C 0.711 175.351 174.600 0.066 0.000 1.284 486 S CA -0.275 57.881 58.200 -0.074 0.000 1.059 486 S CB 0.917 63.978 63.200 -0.231 0.000 0.901 486 S HN 0.909 nan 8.310 nan 0.000 0.491 487 G N 2.234 111.071 108.800 0.062 0.000 3.126 487 G HA2 0.452 4.412 3.960 -0.000 0.000 0.224 487 G HA3 0.452 4.412 3.960 -0.000 0.000 0.224 487 G C 0.643 175.585 174.900 0.071 0.000 1.142 487 G CA -0.158 44.982 45.100 0.066 0.000 0.759 487 G HN 1.029 nan 8.290 nan 0.000 0.550 488 G N -0.211 108.644 108.800 0.091 0.000 2.630 488 G HA2 0.233 4.193 3.960 -0.000 0.000 0.236 488 G HA3 0.233 4.193 3.960 -0.000 0.000 0.236 488 G C 1.031 175.991 174.900 0.100 0.000 1.248 488 G CA -0.320 44.838 45.100 0.097 0.000 0.844 488 G HN 0.088 nan 8.290 nan 0.000 0.588 489 M N 0.639 120.289 119.600 0.083 0.000 2.108 489 M HA -0.113 4.366 4.480 -0.000 0.000 0.261 489 M C 2.468 178.838 176.300 0.118 0.000 1.066 489 M CA 1.862 57.210 55.300 0.080 0.000 1.107 489 M CB -0.158 32.470 32.600 0.047 0.000 1.356 489 M HN 0.573 nan 8.290 nan 0.000 0.406 490 K N 0.615 121.085 120.400 0.117 0.000 2.057 490 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 490 K C 1.420 178.155 176.600 0.226 0.000 1.050 490 K CA 1.829 58.207 56.287 0.152 0.000 0.935 490 K CB -0.240 32.327 32.500 0.112 0.000 0.715 490 K HN 0.401 nan 8.250 nan 0.000 0.439 491 D N -0.328 120.197 120.400 0.209 0.000 2.144 491 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 491 D C 1.794 178.202 176.300 0.181 0.000 0.978 491 D CA 0.951 55.091 54.000 0.234 0.000 0.833 491 D CB 0.030 40.992 40.800 0.271 0.000 0.961 491 D HN 0.207 nan 8.370 nan 0.000 0.470 492 M N -0.276 119.410 119.600 0.144 0.000 2.175 492 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 492 M C 2.176 178.534 176.300 0.095 0.000 1.063 492 M CA 0.912 56.264 55.300 0.088 0.000 1.119 492 M CB -0.994 31.649 32.600 0.071 0.000 1.377 492 M HN 0.092 nan 8.290 nan 0.000 0.415 493 Y N 1.582 121.903 120.300 0.034 0.000 2.293 493 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 493 Y C 1.380 177.305 175.900 0.043 0.000 1.137 493 Y CA 1.406 59.523 58.100 0.028 0.000 1.202 493 Y CB -0.104 38.377 38.460 0.035 0.000 0.990 493 Y HN 0.238 nan 8.280 nan 0.000 0.537 494 D N 0.437 120.912 120.400 0.126 0.000 2.336 494 D HA -0.040 4.600 4.640 -0.000 0.000 0.229 494 D C 0.096 176.455 176.300 0.098 0.000 1.061 494 D CA 0.726 54.793 54.000 0.112 0.000 0.875 494 D CB -0.042 40.892 40.800 0.224 0.000 0.904 494 D HN 0.485 nan 8.370 nan 0.000 0.525 495 Q N -1.220 118.568 119.800 -0.020 0.000 2.477 495 Q HA -0.131 4.208 4.340 -0.000 0.000 0.279 495 Q C 0.963 176.895 176.000 -0.113 0.000 1.144 495 Q CA -0.014 55.695 55.803 -0.157 0.000 0.898 495 Q CB -2.025 26.498 28.738 -0.359 0.000 1.244 495 Q HN 0.149 nan 8.270 nan 0.000 0.485 496 V N -0.203 119.714 119.914 0.006 0.000 2.688 496 V HA -0.237 3.883 4.120 -0.000 0.000 0.256 496 V C 1.597 177.557 176.094 -0.223 0.000 1.084 496 V CA 2.367 64.680 62.300 0.022 0.000 1.103 496 V CB -0.080 31.809 31.823 0.111 0.000 0.688 496 V HN 0.535 nan 8.190 nan 0.000 0.480 497 L N -0.795 120.249 121.223 -0.298 0.000 2.049 497 L HA -0.095 4.245 4.340 -0.000 0.000 0.203 497 L C 2.608 179.189 176.870 -0.481 0.000 1.074 497 L CA 1.641 56.245 54.840 -0.394 0.000 0.749 497 L CB -0.577 41.302 42.059 -0.300 0.000 0.907 497 L HN 0.197 nan 8.230 nan 0.000 0.439 498 K N -0.061 119.997 120.400 -0.571 0.000 2.001 498 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 498 K C 2.039 177.992 176.600 -1.078 0.000 1.050 498 K CA 1.789 57.557 56.287 -0.864 0.000 0.934 498 K CB -0.422 31.469 32.500 -1.015 0.000 0.718 498 K HN 0.064 nan 8.250 nan 0.000 0.443 499 F N 0.593 120.223 119.950 -0.534 0.000 2.171 499 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 499 F C 2.591 178.216 175.800 -0.291 0.000 1.090 499 F CA 1.270 59.049 58.000 -0.368 0.000 1.293 499 F CB -1.278 37.641 39.000 -0.134 0.000 1.013 499 F HN 0.149 nan 8.300 nan 0.000 0.486 500 G N -0.395 108.272 108.800 -0.221 0.000 2.432 500 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 500 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 500 G C 1.883 176.605 174.900 -0.297 0.000 1.135 500 G CA 0.767 45.668 45.100 -0.330 0.000 0.767 500 G HN 0.456 nan 8.290 nan 0.000 0.550 501 A N -0.058 122.551 122.820 -0.352 0.000 2.015 501 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 501 A C 2.086 179.630 177.584 -0.067 0.000 1.163 501 A CA 1.008 52.896 52.037 -0.249 0.000 0.646 501 A CB -0.465 18.338 19.000 -0.328 0.000 0.806 501 A HN 0.366 nan 8.150 nan 0.000 0.448 502 Y N -0.045 120.210 120.300 -0.073 0.000 2.509 502 Y HA 0.015 4.565 4.550 -0.000 0.000 0.293 502 Y C 1.952 177.840 175.900 -0.021 0.000 1.133 502 Y CA -0.119 57.974 58.100 -0.011 0.000 1.283 502 Y CB -0.604 37.902 38.460 0.077 0.000 1.001 502 Y HN 0.303 nan 8.280 nan 0.000 0.555 503 I N -1.754 118.844 120.570 0.046 0.000 2.333 503 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 503 I C 2.094 178.197 176.117 -0.022 0.000 1.106 503 I CA 0.582 61.844 61.300 -0.064 0.000 1.411 503 I CB -0.552 37.275 38.000 -0.287 0.000 1.082 503 I HN -0.081 nan 8.210 nan 0.000 0.420 504 V N 1.275 121.180 119.914 -0.016 0.000 2.237 504 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 504 V C 2.039 178.157 176.094 0.040 0.000 1.046 504 V CA 2.244 64.546 62.300 0.005 0.000 1.007 504 V CB -0.758 31.061 31.823 -0.007 0.000 0.638 504 V HN 0.367 nan 8.190 nan 0.000 0.445 505 D N 0.702 121.143 120.400 0.067 0.000 2.182 505 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 505 D C 2.114 178.462 176.300 0.079 0.000 0.986 505 D CA 1.527 55.575 54.000 0.080 0.000 0.847 505 D CB -0.560 40.309 40.800 0.115 0.000 0.942 505 D HN 0.487 nan 8.370 nan 0.000 0.467 506 G N -0.173 108.682 108.800 0.092 0.000 2.430 506 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.216 506 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.216 506 G C 1.588 176.595 174.900 0.178 0.000 1.146 506 G CA -0.003 45.167 45.100 0.117 0.000 0.793 506 G HN 0.241 nan 8.290 nan 0.000 0.537 507 L N -0.373 120.927 121.223 0.128 0.000 2.209 507 L HA 0.168 4.508 4.340 -0.000 0.000 0.207 507 L C 2.827 179.775 176.870 0.130 0.000 1.094 507 L CA 0.375 55.288 54.840 0.122 0.000 0.790 507 L CB -0.198 41.872 42.059 0.020 0.000 0.932 507 L HN 0.168 nan 8.230 nan 0.000 0.447 508 R N 1.097 121.652 120.500 0.091 0.000 2.081 508 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 508 R C 1.693 178.043 176.300 0.083 0.000 1.131 508 R CA 1.439 57.583 56.100 0.074 0.000 0.960 508 R CB 0.077 30.409 30.300 0.053 0.000 0.856 508 R HN 0.218 nan 8.270 nan 0.000 0.436 509 K N -0.686 119.767 120.400 0.088 0.000 2.444 509 K HA -0.023 4.296 4.320 -0.000 0.000 0.193 509 K C -0.367 176.271 176.600 0.063 0.000 1.024 509 K CA -0.139 56.183 56.287 0.057 0.000 1.077 509 K CB 0.117 32.634 32.500 0.029 0.000 0.833 509 K HN 0.113 nan 8.250 nan 0.000 0.517 510 Y N 1.419 121.731 120.300 0.020 0.000 2.511 510 Y HA -0.067 4.482 4.550 -0.000 0.000 0.332 510 Y C 1.063 176.977 175.900 0.024 0.000 1.177 510 Y CA 0.511 58.627 58.100 0.027 0.000 1.422 510 Y CB 0.568 39.050 38.460 0.037 0.000 1.271 510 Y HN -0.075 nan 8.280 nan 0.000 0.550 511 R N 1.840 122.272 120.500 -0.112 0.000 2.404 511 R HA 0.131 4.471 4.340 -0.000 0.000 0.237 511 R C -0.493 175.840 176.300 0.055 0.000 0.907 511 R CA -0.040 56.046 56.100 -0.024 0.000 1.063 511 R CB 0.530 30.779 30.300 -0.085 0.000 1.134 511 R HN 0.561 nan 8.270 nan 0.000 0.529 512 Q N 0.069 119.964 119.800 0.159 0.000 2.359 512 Q HA 0.368 4.708 4.340 -0.000 0.000 0.275 512 Q C -2.681 173.485 176.000 0.277 0.000 1.082 512 Q CA -2.543 53.381 55.803 0.202 0.000 0.849 512 Q CB 0.814 29.666 28.738 0.190 0.000 1.377 512 Q HN -0.208 nan 8.270 nan 0.000 0.452 513 P HA -0.047 nan 4.420 nan 0.000 0.264 513 P C -1.049 176.294 177.300 0.072 0.000 1.179 513 P CA 0.236 63.395 63.100 0.098 0.000 0.763 513 P CB 0.366 32.101 31.700 0.058 0.000 0.806 514 V N 5.095 125.007 119.914 -0.003 0.000 2.350 514 V HA 0.295 4.415 4.120 -0.000 0.000 0.285 514 V C 0.132 176.201 176.094 -0.040 0.000 1.014 514 V CA -0.360 61.885 62.300 -0.093 0.000 0.831 514 V CB 1.066 32.774 31.823 -0.191 0.000 1.000 514 V HN 0.337 nan 8.190 nan 0.000 0.433 515 L N 6.448 127.657 121.223 -0.023 0.000 2.301 515 L HA 0.575 4.915 4.340 -0.000 0.000 0.278 515 L C -0.489 176.360 176.870 -0.034 0.000 1.022 515 L CA -0.194 54.658 54.840 0.021 0.000 0.854 515 L CB 1.192 43.263 42.059 0.020 0.000 1.226 515 L HN 0.502 nan 8.230 nan 0.000 0.429 516 I N 3.522 124.094 120.570 0.003 0.000 2.331 516 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 516 I C -0.876 175.292 176.117 0.086 0.000 0.998 516 I CA -0.575 60.708 61.300 -0.027 0.000 1.267 516 I CB 1.155 39.105 38.000 -0.083 0.000 1.386 516 I HN 0.398 nan 8.210 nan 0.000 0.476 517 Y N 7.628 127.834 120.300 -0.157 0.000 2.386 517 Y HA 0.552 5.102 4.550 -0.000 0.000 0.334 517 Y C -1.060 174.807 175.900 -0.055 0.000 1.002 517 Y CA -1.761 56.286 58.100 -0.087 0.000 1.068 517 Y CB 1.345 39.690 38.460 -0.192 0.000 1.203 517 Y HN 0.394 nan 8.280 nan 0.000 0.443 518 I N 9.466 130.028 120.570 -0.014 0.000 2.291 518 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 518 I C -2.234 173.620 176.117 -0.438 0.000 1.050 518 I CA -1.857 59.348 61.300 -0.157 0.000 1.245 518 I CB 0.710 38.727 38.000 0.029 0.000 1.405 518 I HN 0.437 nan 8.210 nan 0.000 0.478 519 P HA 0.099 nan 4.420 nan 0.000 0.272 519 P C -2.457 174.619 177.300 -0.373 0.000 1.254 519 P CA -1.006 61.728 63.100 -0.611 0.000 0.795 519 P CB -0.361 31.051 31.700 -0.479 0.000 1.022 520 P HA -0.028 nan 4.420 nan 0.000 0.271 520 P C -0.552 176.436 177.300 -0.519 0.000 1.216 520 P CA 0.511 63.279 63.100 -0.555 0.000 0.771 520 P CB -0.118 31.138 31.700 -0.740 0.000 0.864 521 Y N -1.126 119.106 120.300 -0.112 0.000 4.929 521 Y HA -0.274 4.275 4.550 -0.000 0.000 0.253 521 Y C 1.018 176.863 175.900 -0.092 0.000 0.946 521 Y CA 0.758 58.802 58.100 -0.094 0.000 1.905 521 Y CB -2.722 35.680 38.460 -0.096 0.000 1.400 521 Y HN 0.567 nan 8.280 nan 0.000 0.531 522 A N 1.322 124.118 122.820 -0.039 0.000 2.287 522 A HA 0.666 4.986 4.320 -0.000 0.000 0.273 522 A C 0.502 178.054 177.584 -0.054 0.000 1.091 522 A CA 0.240 52.228 52.037 -0.082 0.000 0.817 522 A CB 0.609 19.516 19.000 -0.154 0.000 1.069 522 A HN 0.389 nan 8.150 nan 0.000 0.492 523 E N -0.727 119.435 120.200 -0.063 0.000 2.383 523 E HA 0.619 4.969 4.350 -0.000 0.000 0.275 523 E C -1.853 174.761 176.600 0.023 0.000 0.918 523 E CA -0.913 55.481 56.400 -0.009 0.000 0.764 523 E CB 1.962 31.652 29.700 -0.016 0.000 1.252 523 E HN 0.238 nan 8.360 nan 0.000 0.449 524 V N 2.164 122.149 119.914 0.118 0.000 2.409 524 V HA 0.447 4.567 4.120 -0.000 0.000 0.290 524 V C -0.629 175.593 176.094 0.213 0.000 1.017 524 V CA -0.834 61.593 62.300 0.212 0.000 0.841 524 V CB 1.247 33.287 31.823 0.361 0.000 1.003 524 V HN 0.582 nan 8.190 nan 0.000 0.426 525 R N 2.877 123.472 120.500 0.158 0.000 2.562 525 R HA 0.624 4.964 4.340 -0.000 0.000 0.298 525 R C 1.139 177.529 176.300 0.150 0.000 0.961 525 R CA 0.034 56.206 56.100 0.121 0.000 0.881 525 R CB 1.561 31.898 30.300 0.063 0.000 1.159 525 R HN 0.865 nan 8.270 nan 0.000 0.450 526 G N 2.545 111.418 108.800 0.122 0.000 2.740 526 G HA2 -0.474 3.485 3.960 -0.000 0.000 0.365 526 G HA3 -0.474 3.485 3.960 -0.000 0.000 0.365 526 G C 1.151 176.173 174.900 0.204 0.000 1.135 526 G CA 1.256 46.431 45.100 0.125 0.000 0.948 526 G HN 0.714 nan 8.290 nan 0.000 0.629 527 G N 0.180 109.113 108.800 0.221 0.000 2.422 527 G HA2 0.019 3.979 3.960 -0.000 0.000 0.218 527 G HA3 0.019 3.979 3.960 -0.000 0.000 0.218 527 G C 2.236 177.384 174.900 0.414 0.000 1.146 527 G CA 2.533 47.825 45.100 0.321 0.000 0.769 527 G HN 1.675 nan 8.290 nan 0.000 0.547 528 S N -0.791 115.089 115.700 0.301 0.000 2.383 528 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 528 S C 2.034 176.826 174.600 0.319 0.000 1.026 528 S CA 1.026 59.389 58.200 0.271 0.000 0.981 528 S CB -0.555 62.672 63.200 0.044 0.000 0.818 528 S HN 0.587 nan 8.310 nan 0.000 0.472 529 W N 2.873 124.261 121.300 0.146 0.000 2.379 529 W HA 0.008 4.668 4.660 -0.000 0.000 0.307 529 W C 2.589 179.177 176.519 0.115 0.000 1.200 529 W CA 1.354 58.772 57.345 0.120 0.000 1.297 529 W CB -0.804 28.707 29.460 0.085 0.000 1.140 529 W HN 0.428 nan 8.180 nan 0.000 0.507 530 A N 0.840 123.905 122.820 0.409 0.000 1.903 530 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 530 A C 2.112 179.798 177.584 0.170 0.000 1.191 530 A CA 3.397 55.601 52.037 0.277 0.000 0.638 530 A CB -1.413 17.716 19.000 0.216 0.000 0.823 530 A HN 0.385 nan 8.150 nan 0.000 0.451 531 V N -2.250 117.763 119.914 0.165 0.000 2.626 531 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 531 V C 1.992 178.090 176.094 0.006 0.000 1.067 531 V CA 2.013 64.355 62.300 0.069 0.000 1.081 531 V CB -0.955 30.894 31.823 0.043 0.000 0.686 531 V HN 0.726 nan 8.190 nan 0.000 0.468 532 M N -0.556 119.038 119.600 -0.010 0.000 2.347 532 M HA 0.472 4.952 4.480 -0.000 0.000 0.302 532 M C 0.335 176.532 176.300 -0.171 0.000 1.051 532 M CA -0.293 54.956 55.300 -0.085 0.000 0.988 532 M CB -0.241 32.316 32.600 -0.071 0.000 1.475 532 M HN 0.215 nan 8.290 nan 0.000 0.530 533 D N 2.238 122.556 120.400 -0.137 0.000 2.449 533 D HA -0.050 4.590 4.640 -0.000 0.000 0.236 533 D C 1.502 177.786 176.300 -0.027 0.000 1.149 533 D CA 1.073 55.010 54.000 -0.105 0.000 0.878 533 D CB 1.384 42.288 40.800 0.173 0.000 1.198 533 D HN 0.300 nan 8.370 nan 0.000 0.446 534 T N 0.687 115.239 114.554 -0.003 0.000 2.760 534 T HA -0.264 4.086 4.350 -0.000 0.000 0.269 534 T C 1.815 176.546 174.700 0.052 0.000 1.047 534 T CA 2.217 64.338 62.100 0.034 0.000 1.139 534 T CB -0.592 68.320 68.868 0.074 0.000 0.855 534 T HN 0.439 nan 8.240 nan 0.000 0.471 535 S N 0.577 116.319 115.700 0.069 0.000 2.469 535 S HA 0.024 4.494 4.470 -0.000 0.000 0.238 535 S C 1.923 176.553 174.600 0.049 0.000 0.998 535 S CA 1.040 59.278 58.200 0.063 0.000 0.957 535 S CB -0.780 62.464 63.200 0.075 0.000 0.764 535 S HN 0.691 nan 8.310 nan 0.000 0.514 536 I N 1.212 121.808 120.570 0.043 0.000 2.353 536 I HA 0.041 4.211 4.170 -0.000 0.000 0.248 536 I C 0.985 177.126 176.117 0.040 0.000 1.119 536 I CA 0.707 62.030 61.300 0.038 0.000 1.417 536 I CB -0.083 37.934 38.000 0.029 0.000 1.078 536 I HN 0.292 nan 8.210 nan 0.000 0.421 537 N N 0.084 118.807 118.700 0.038 0.000 2.824 537 N HA 0.126 4.866 4.740 -0.000 0.000 0.224 537 N C -2.165 173.366 175.510 0.035 0.000 1.418 537 N CA -1.077 51.999 53.050 0.043 0.000 0.743 537 N CB 0.955 39.479 38.487 0.062 0.000 1.395 537 N HN -0.107 nan 8.380 nan 0.000 0.548 538 P HA -0.066 nan 4.420 nan 0.000 0.226 538 P C 1.429 178.731 177.300 0.005 0.000 1.153 538 P CA 0.219 63.341 63.100 0.036 0.000 0.777 538 P CB 0.841 32.563 31.700 0.038 0.000 0.794 539 L N -0.747 120.457 121.223 -0.032 0.000 2.156 539 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 539 L C 2.578 179.419 176.870 -0.047 0.000 1.095 539 L CA 1.559 56.334 54.840 -0.107 0.000 0.770 539 L CB -1.369 40.642 42.059 -0.080 0.000 0.914 539 L HN 0.057 nan 8.230 nan 0.000 0.439 540 C N -1.763 117.546 119.300 0.014 0.000 2.487 540 C HA 0.273 4.733 4.460 -0.000 0.000 0.311 540 C C 1.297 176.299 174.990 0.020 0.000 1.367 540 C CA -0.826 58.219 59.018 0.046 0.000 1.865 540 C CB 0.062 27.874 27.740 0.119 0.000 2.277 540 C HN 0.120 nan 8.230 nan 0.000 0.521 541 I N 2.561 123.140 120.570 0.014 0.000 2.452 541 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 541 I C -0.055 176.069 176.117 0.011 0.000 1.079 541 I CA 1.044 62.340 61.300 -0.007 0.000 1.387 541 I CB 0.189 38.176 38.000 -0.021 0.000 1.404 541 I HN 0.347 nan 8.210 nan 0.000 0.522 542 E N 7.855 128.030 120.200 -0.041 0.000 2.185 542 E HA 0.429 4.779 4.350 -0.000 0.000 0.261 542 E C -0.995 175.531 176.600 -0.122 0.000 0.879 542 E CA -0.637 55.683 56.400 -0.133 0.000 0.756 542 E CB 2.089 31.597 29.700 -0.319 0.000 1.152 542 E HN 0.521 nan 8.360 nan 0.000 0.416 543 M N 3.187 122.715 119.600 -0.120 0.000 2.113 543 M HA 0.360 4.840 4.480 -0.000 0.000 0.352 543 M C -1.156 174.974 176.300 -0.283 0.000 1.170 543 M CA -0.398 54.815 55.300 -0.144 0.000 1.053 543 M CB 0.575 33.106 32.600 -0.115 0.000 1.601 543 M HN 0.403 nan 8.290 nan 0.000 0.459 544 Y N 1.149 121.504 120.300 0.091 0.000 2.425 544 Y HA 0.741 5.291 4.550 -0.000 0.000 0.344 544 Y C -0.122 175.914 175.900 0.228 0.000 0.969 544 Y CA -0.955 57.197 58.100 0.087 0.000 1.052 544 Y CB 1.957 40.359 38.460 -0.098 0.000 1.215 544 Y HN 0.707 nan 8.280 nan 0.000 0.451 545 A N 2.235 125.264 122.820 0.349 0.000 2.374 545 A HA 0.451 4.771 4.320 -0.000 0.000 0.317 545 A C -1.143 176.647 177.584 0.343 0.000 1.094 545 A CA -0.738 51.501 52.037 0.337 0.000 0.765 545 A CB 1.163 20.302 19.000 0.231 0.000 1.268 545 A HN 0.740 nan 8.150 nan 0.000 0.438 546 D N 0.498 121.106 120.400 0.346 0.000 2.312 546 D HA 0.184 4.823 4.640 -0.000 0.000 0.248 546 D C 0.881 177.237 176.300 0.095 0.000 1.086 546 D CA -0.493 53.669 54.000 0.271 0.000 0.948 546 D CB 0.873 41.796 40.800 0.205 0.000 1.162 546 D HN 0.544 nan 8.370 nan 0.000 0.446 547 R N 1.153 121.684 120.500 0.052 0.000 2.127 547 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 547 R C 0.775 177.055 176.300 -0.033 0.000 1.134 547 R CA 1.036 57.141 56.100 0.009 0.000 0.975 547 R CB 0.040 30.343 30.300 0.005 0.000 0.865 547 R HN 0.486 nan 8.270 nan 0.000 0.447 548 E N 0.773 120.907 120.200 -0.109 0.000 2.419 548 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 548 E C 0.529 177.041 176.600 -0.146 0.000 1.040 548 E CA -0.008 56.281 56.400 -0.184 0.000 0.900 548 E CB 0.390 29.810 29.700 -0.467 0.000 1.054 548 E HN 0.173 nan 8.360 nan 0.000 0.462 549 S N 0.671 116.327 115.700 -0.074 0.000 2.713 549 S HA 0.648 5.118 4.470 -0.000 0.000 0.283 549 S C 0.281 174.884 174.600 0.006 0.000 1.161 549 S CA -0.777 57.403 58.200 -0.034 0.000 0.999 549 S CB 2.031 65.227 63.200 -0.007 0.000 1.039 549 S HN -0.071 nan 8.310 nan 0.000 0.548 550 R N -0.052 120.461 120.500 0.022 0.000 2.774 550 R HA 0.838 5.178 4.340 -0.000 0.000 0.272 550 R C -1.324 175.007 176.300 0.052 0.000 1.000 550 R CA -0.702 55.412 56.100 0.024 0.000 0.906 550 R CB 1.889 32.194 30.300 0.007 0.000 1.227 550 R HN 1.017 nan 8.270 nan 0.000 0.468 551 A N 0.497 123.330 122.820 0.023 0.000 2.577 551 A HA 0.672 4.991 4.320 -0.000 0.000 0.297 551 A C -1.060 176.471 177.584 -0.088 0.000 1.060 551 A CA -0.329 51.711 52.037 0.005 0.000 0.697 551 A CB 1.514 20.535 19.000 0.035 0.000 1.281 551 A HN 0.918 nan 8.150 nan 0.000 0.402 552 S N -0.293 115.355 115.700 -0.088 0.000 2.663 552 S HA 0.464 4.934 4.470 -0.000 0.000 0.264 552 S C 0.349 174.910 174.600 -0.065 0.000 1.112 552 S CA 0.045 58.184 58.200 -0.102 0.000 0.823 552 S CB 0.180 63.343 63.200 -0.062 0.000 1.111 552 S HN 1.392 nan 8.310 nan 0.000 0.476 553 V N 0.513 120.391 119.914 -0.060 0.000 2.358 553 V HA 0.134 4.254 4.120 -0.000 0.000 0.246 553 V C 0.739 176.835 176.094 0.003 0.000 1.047 553 V CA 1.446 63.732 62.300 -0.023 0.000 1.035 553 V CB -0.937 30.870 31.823 -0.028 0.000 0.658 553 V HN 0.603 nan 8.190 nan 0.000 0.452 554 L N -1.007 120.210 121.223 -0.009 0.000 2.309 554 L HA 0.491 4.831 4.340 -0.000 0.000 0.261 554 L C -0.178 176.689 176.870 -0.005 0.000 1.021 554 L CA -0.783 54.058 54.840 0.002 0.000 0.823 554 L CB 2.217 44.276 42.059 0.000 0.000 1.366 554 L HN 0.055 nan 8.230 nan 0.000 0.423 555 E N 1.264 121.465 120.200 0.002 0.000 2.404 555 E HA 0.051 4.401 4.350 -0.000 0.000 0.261 555 E C -1.657 174.938 176.600 -0.009 0.000 1.074 555 E CA -1.432 54.966 56.400 -0.003 0.000 0.917 555 E CB 0.794 30.496 29.700 0.003 0.000 0.965 555 E HN 0.312 nan 8.360 nan 0.000 0.433 556 P HA -0.254 nan 4.420 nan 0.000 0.217 556 P C 0.499 177.792 177.300 -0.013 0.000 1.162 556 P CA 1.546 64.631 63.100 -0.025 0.000 0.901 556 P CB 0.190 31.871 31.700 -0.032 0.000 0.793 557 E N -0.949 119.253 120.200 0.004 0.000 2.171 557 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 557 E C 2.247 178.876 176.600 0.048 0.000 0.997 557 E CA 1.682 58.105 56.400 0.039 0.000 0.810 557 E CB -1.354 28.375 29.700 0.049 0.000 0.738 557 E HN 0.323 nan 8.360 nan 0.000 0.467 558 G N -0.100 108.717 108.800 0.029 0.000 2.395 558 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.214 558 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.214 558 G C 1.623 176.540 174.900 0.028 0.000 1.177 558 G CA 1.136 46.254 45.100 0.030 0.000 0.794 558 G HN 0.282 nan 8.290 nan 0.000 0.532 559 T N 1.196 115.756 114.554 0.010 0.000 2.788 559 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 559 T C 2.438 177.166 174.700 0.046 0.000 1.044 559 T CA 1.216 63.316 62.100 -0.000 0.000 1.139 559 T CB -0.287 68.549 68.868 -0.053 0.000 0.867 559 T HN 0.044 nan 8.240 nan 0.000 0.454 560 V N 1.364 121.314 119.914 0.059 0.000 2.515 560 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 560 V C 2.760 178.936 176.094 0.137 0.000 1.058 560 V CA 1.310 63.671 62.300 0.102 0.000 1.064 560 V CB -0.478 31.331 31.823 -0.023 0.000 0.675 560 V HN 0.387 nan 8.190 nan 0.000 0.461 561 E N -0.097 120.167 120.200 0.107 0.000 2.106 561 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 561 E C 2.033 178.682 176.600 0.083 0.000 0.984 561 E CA 1.369 57.830 56.400 0.101 0.000 0.806 561 E CB 0.073 29.818 29.700 0.076 0.000 0.750 561 E HN 0.610 nan 8.360 nan 0.000 0.458 562 I N -0.138 120.474 120.570 0.069 0.000 2.947 562 I HA -0.088 4.082 4.170 -0.000 0.000 0.263 562 I C 2.111 178.262 176.117 0.056 0.000 1.130 562 I CA 0.453 61.784 61.300 0.052 0.000 1.448 562 I CB 0.168 38.187 38.000 0.032 0.000 1.222 562 I HN -0.208 nan 8.210 nan 0.000 0.453 563 K N -0.300 120.139 120.400 0.065 0.000 2.352 563 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 563 K C -0.081 176.577 176.600 0.096 0.000 1.038 563 K CA 0.516 56.837 56.287 0.055 0.000 1.023 563 K CB 0.551 33.063 32.500 0.019 0.000 0.840 563 K HN 0.146 nan 8.250 nan 0.000 0.519 564 Y N 2.661 122.990 120.300 0.048 0.000 2.525 564 Y HA 0.235 4.785 4.550 -0.000 0.000 0.365 564 Y C -0.061 175.879 175.900 0.067 0.000 0.929 564 Y CA -1.098 57.040 58.100 0.064 0.000 1.196 564 Y CB -0.253 38.260 38.460 0.087 0.000 1.232 564 Y HN -0.032 nan 8.280 nan 0.000 0.613 565 Q N 0.794 120.741 119.800 0.246 0.000 2.651 565 Q HA 0.002 4.342 4.340 -0.000 0.000 0.224 565 Q C 1.576 177.694 176.000 0.195 0.000 1.094 565 Q CA 0.132 56.043 55.803 0.179 0.000 1.018 565 Q CB 0.870 29.668 28.738 0.099 0.000 1.292 565 Q HN 0.414 nan 8.270 nan 0.000 0.588 566 K N 0.786 121.264 120.400 0.131 0.000 2.113 566 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 566 K C 1.554 178.205 176.600 0.085 0.000 1.047 566 K CA 1.607 57.956 56.287 0.103 0.000 0.928 566 K CB 0.108 32.644 32.500 0.060 0.000 0.716 566 K HN 0.342 nan 8.250 nan 0.000 0.446 567 K N 0.355 120.794 120.400 0.065 0.000 2.032 567 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 567 K C 1.698 178.322 176.600 0.040 0.000 1.048 567 K CA 1.867 58.176 56.287 0.037 0.000 0.927 567 K CB -0.058 32.454 32.500 0.020 0.000 0.712 567 K HN 0.289 nan 8.250 nan 0.000 0.441 568 D N 0.602 121.039 120.400 0.061 0.000 2.149 568 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 568 D C 1.936 178.364 176.300 0.214 0.000 0.972 568 D CA 0.692 54.710 54.000 0.029 0.000 0.835 568 D CB -0.000 40.688 40.800 -0.185 0.000 0.966 568 D HN 0.018 nan 8.370 nan 0.000 0.476 569 L N 0.800 122.210 121.223 0.312 0.000 2.046 569 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 569 L C 2.422 179.342 176.870 0.084 0.000 1.077 569 L CA 1.059 56.052 54.840 0.254 0.000 0.747 569 L CB -0.387 41.782 42.059 0.184 0.000 0.896 569 L HN -0.143 nan 8.230 nan 0.000 0.432 570 V N -0.544 119.393 119.914 0.037 0.000 2.261 570 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 570 V C 2.541 178.605 176.094 -0.050 0.000 1.047 570 V CA 1.784 64.064 62.300 -0.033 0.000 1.015 570 V CB -0.513 31.299 31.823 -0.017 0.000 0.642 570 V HN 0.438 nan 8.190 nan 0.000 0.446 571 K N -0.238 120.155 120.400 -0.012 0.000 2.074 571 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 571 K C 2.128 178.715 176.600 -0.021 0.000 1.048 571 K CA 2.098 58.373 56.287 -0.020 0.000 0.926 571 K CB -0.566 31.923 32.500 -0.018 0.000 0.713 571 K HN 0.537 nan 8.250 nan 0.000 0.444 572 T N 1.686 116.250 114.554 0.018 0.000 2.746 572 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 572 T C 1.976 176.650 174.700 -0.044 0.000 1.039 572 T CA 1.139 63.275 62.100 0.061 0.000 1.142 572 T CB -0.219 68.774 68.868 0.208 0.000 0.866 572 T HN 0.150 nan 8.240 nan 0.000 0.444 573 I N 0.831 121.213 120.570 -0.312 0.000 2.226 573 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 573 I C 2.768 178.731 176.117 -0.257 0.000 1.100 573 I CA 1.356 62.282 61.300 -0.624 0.000 1.374 573 I CB -0.312 37.293 38.000 -0.658 0.000 1.057 573 I HN 0.095 nan 8.210 nan 0.000 0.413 574 R N 0.128 120.541 120.500 -0.145 0.000 2.096 574 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 574 R C 2.434 178.709 176.300 -0.043 0.000 1.127 574 R CA 1.167 57.220 56.100 -0.078 0.000 0.968 574 R CB -0.304 29.962 30.300 -0.057 0.000 0.861 574 R HN 0.312 nan 8.270 nan 0.000 0.440 575 R N 0.432 120.916 120.500 -0.026 0.000 2.100 575 R HA 0.048 4.388 4.340 -0.000 0.000 0.220 575 R C 1.490 177.806 176.300 0.026 0.000 1.091 575 R CA 0.941 57.041 56.100 0.001 0.000 0.986 575 R CB 0.182 30.484 30.300 0.003 0.000 0.888 575 R HN 0.196 nan 8.270 nan 0.000 0.444 576 L N -0.012 121.251 121.223 0.066 0.000 2.585 576 L HA 0.211 4.551 4.340 -0.000 0.000 0.226 576 L C -0.147 176.802 176.870 0.131 0.000 1.113 576 L CA -0.170 54.741 54.840 0.119 0.000 0.876 576 L CB 0.279 42.455 42.059 0.194 0.000 1.072 576 L HN 0.066 nan 8.230 nan 0.000 0.468 577 D N 0.638 121.084 120.400 0.077 0.000 2.280 577 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 577 D C -1.330 174.984 176.300 0.025 0.000 1.082 577 D CA -1.903 52.135 54.000 0.063 0.000 0.834 577 D CB 1.709 42.510 40.800 0.002 0.000 1.100 577 D HN -0.170 nan 8.370 nan 0.000 0.486 578 P HA -0.156 nan 4.420 nan 0.000 0.214 578 P C 1.599 178.903 177.300 0.006 0.000 1.162 578 P CA 1.062 64.171 63.100 0.015 0.000 0.879 578 P CB 0.253 31.963 31.700 0.017 0.000 0.786 579 I N -0.135 120.439 120.570 0.007 0.000 2.208 579 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 579 I C 1.094 177.204 176.117 -0.011 0.000 1.097 579 I CA 1.200 62.500 61.300 -0.000 0.000 1.363 579 I CB -1.124 36.878 38.000 0.003 0.000 1.051 579 I HN -0.142 nan 8.210 nan 0.000 0.413 580 S N 2.729 118.417 115.700 -0.021 0.000 3.829 580 S HA 0.180 4.650 4.470 -0.000 0.000 0.250 580 S C 0.069 174.651 174.600 -0.029 0.000 1.263 580 S CA 0.170 58.348 58.200 -0.037 0.000 0.955 580 S CB -0.458 62.700 63.200 -0.070 0.000 1.611 580 S HN 0.285 nan 8.310 nan 0.000 0.483 604 L N 1.347 122.559 121.223 -0.018 0.000 1.943 604 L HA -0.053 4.286 4.340 -0.000 0.000 0.215 604 L C 2.351 179.204 176.870 -0.028 0.000 1.074 604 L CA 2.529 57.354 54.840 -0.025 0.000 0.759 604 L CB -0.616 41.427 42.059 -0.026 0.000 0.888 604 L HN 0.661 nan 8.230 nan 0.000 0.433 605 K N -1.341 119.044 120.400 -0.023 0.000 2.127 605 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 605 K C 1.913 178.501 176.600 -0.020 0.000 1.047 605 K CA 1.543 57.817 56.287 -0.022 0.000 0.927 605 K CB -0.275 32.215 32.500 -0.016 0.000 0.716 605 K HN 0.524 nan 8.250 nan 0.000 0.450 606 A N 0.539 123.350 122.820 -0.016 0.000 1.929 606 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 606 A C 1.992 179.568 177.584 -0.013 0.000 1.176 606 A CA 1.346 53.375 52.037 -0.012 0.000 0.628 606 A CB -0.349 18.646 19.000 -0.009 0.000 0.816 606 A HN 0.173 nan 8.150 nan 0.000 0.444 607 R N 1.101 121.590 120.500 -0.018 0.000 2.066 607 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 607 R C 2.078 178.359 176.300 -0.031 0.000 1.131 607 R CA 2.148 58.236 56.100 -0.020 0.000 0.955 607 R CB -0.591 29.694 30.300 -0.025 0.000 0.851 607 R HN 0.757 nan 8.270 nan 0.000 0.432 608 E N -0.655 119.515 120.200 -0.051 0.000 2.150 608 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 608 E C 1.028 177.603 176.600 -0.041 0.000 0.985 608 E CA 1.482 57.837 56.400 -0.074 0.000 0.814 608 E CB -0.280 29.365 29.700 -0.092 0.000 0.752 608 E HN 0.310 nan 8.360 nan 0.000 0.466 609 D N 0.878 121.264 120.400 -0.022 0.000 2.144 609 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 609 D C 1.652 177.953 176.300 0.002 0.000 0.978 609 D CA 0.646 54.640 54.000 -0.010 0.000 0.833 609 D CB 0.010 40.805 40.800 -0.009 0.000 0.961 609 D HN 0.117 nan 8.370 nan 0.000 0.470 610 L N -0.169 121.057 121.223 0.006 0.000 2.591 610 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 610 L C 1.343 178.238 176.870 0.043 0.000 1.133 610 L CA 0.457 55.309 54.840 0.019 0.000 0.880 610 L CB 0.304 42.372 42.059 0.016 0.000 1.033 610 L HN 0.056 nan 8.230 nan 0.000 0.450 611 L N -2.309 118.941 121.223 0.045 0.000 2.575 611 L HA 0.053 4.393 4.340 -0.000 0.000 0.228 611 L C 1.933 178.894 176.870 0.153 0.000 1.075 611 L CA 0.067 54.975 54.840 0.114 0.000 0.867 611 L CB 0.085 42.172 42.059 0.047 0.000 1.097 611 L HN 0.183 nan 8.230 nan 0.000 0.485 612 L N 0.759 122.023 121.223 0.069 0.000 2.042 612 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 612 L C -0.359 176.576 176.870 0.108 0.000 1.076 612 L CA 1.789 56.675 54.840 0.078 0.000 0.749 612 L CB -1.326 40.750 42.059 0.028 0.000 0.893 612 L HN 0.220 nan 8.230 nan 0.000 0.432 613 P HA -0.148 nan 4.420 nan 0.000 0.222 613 P C 1.638 179.008 177.300 0.116 0.000 1.147 613 P CA 1.233 64.373 63.100 0.066 0.000 0.790 613 P CB 0.081 31.799 31.700 0.031 0.000 0.780 614 M N -2.801 116.876 119.600 0.129 0.000 2.429 614 M HA 0.047 4.526 4.480 -0.000 0.000 0.265 614 M C 1.617 177.948 176.300 0.052 0.000 1.120 614 M CA 1.260 56.611 55.300 0.085 0.000 1.173 614 M CB -1.154 31.473 32.600 0.045 0.000 1.343 614 M HN -0.054 nan 8.290 nan 0.000 0.464 615 Y N -0.747 119.556 120.300 0.006 0.000 2.571 615 Y HA -0.182 4.368 4.550 -0.000 0.000 0.294 615 Y C 2.503 178.357 175.900 -0.076 0.000 1.141 615 Y CA 1.327 59.405 58.100 -0.036 0.000 1.308 615 Y CB -0.789 37.655 38.460 -0.026 0.000 1.002 615 Y HN 0.405 nan 8.280 nan 0.000 0.551 616 H N -0.440 118.647 119.070 0.029 0.000 2.333 616 H HA -0.097 4.459 4.556 -0.000 0.000 0.302 616 H C 2.029 177.314 175.328 -0.071 0.000 1.075 616 H CA 1.654 57.675 56.048 -0.046 0.000 1.348 616 H CB 0.146 29.902 29.762 -0.011 0.000 1.393 616 H HN 0.053 nan 8.280 nan 0.000 0.509 617 Q N 0.109 119.885 119.800 -0.040 0.000 2.226 617 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 617 Q C 2.499 178.446 176.000 -0.088 0.000 0.975 617 Q CA 1.055 56.820 55.803 -0.063 0.000 0.866 617 Q CB -0.130 28.618 28.738 0.017 0.000 0.915 617 Q HN 0.418 nan 8.270 nan 0.000 0.440 618 V N 0.706 120.541 119.914 -0.132 0.000 2.453 618 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 618 V C 2.276 178.288 176.094 -0.136 0.000 1.048 618 V CA 1.566 63.780 62.300 -0.143 0.000 1.049 618 V CB -0.763 30.905 31.823 -0.258 0.000 0.672 618 V HN 0.295 nan 8.190 nan 0.000 0.457 619 A N -0.461 122.154 122.820 -0.341 0.000 1.969 619 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 619 A C 2.175 179.652 177.584 -0.177 0.000 1.169 619 A CA 1.451 53.163 52.037 -0.543 0.000 0.635 619 A CB -0.413 17.958 19.000 -1.049 0.000 0.810 619 A HN 0.503 nan 8.150 nan 0.000 0.445 620 L N -1.920 119.183 121.223 -0.200 0.000 2.056 620 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 620 L C 2.541 179.423 176.870 0.019 0.000 1.078 620 L CA 1.689 56.465 54.840 -0.106 0.000 0.749 620 L CB -0.608 41.367 42.059 -0.140 0.000 0.901 620 L HN 0.622 nan 8.230 nan 0.000 0.433 621 H N -0.888 118.169 119.070 -0.022 0.000 2.353 621 H HA -0.265 4.291 4.556 -0.000 0.000 0.300 621 H C 2.072 177.469 175.328 0.115 0.000 1.090 621 H CA 1.925 57.990 56.048 0.029 0.000 1.327 621 H CB 0.078 29.847 29.762 0.013 0.000 1.383 621 H HN 0.246 nan 8.280 nan 0.000 0.508 622 F N 0.698 120.761 119.950 0.188 0.000 2.146 622 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 622 F C 2.411 178.361 175.800 0.250 0.000 1.096 622 F CA 1.290 59.416 58.000 0.211 0.000 1.275 622 F CB -0.733 38.387 39.000 0.200 0.000 1.008 622 F HN 0.232 nan 8.300 nan 0.000 0.480 623 A N -0.635 122.231 122.820 0.076 0.000 1.968 623 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 623 A C 1.852 179.424 177.584 -0.020 0.000 1.169 623 A CA 1.748 53.723 52.037 -0.103 0.000 0.638 623 A CB -1.060 17.905 19.000 -0.059 0.000 0.812 623 A HN 0.459 nan 8.150 nan 0.000 0.446 624 D N -0.247 120.159 120.400 0.011 0.000 2.219 624 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 624 D C 1.551 177.853 176.300 0.003 0.000 0.970 624 D CA 0.764 54.756 54.000 -0.013 0.000 0.851 624 D CB -0.168 40.592 40.800 -0.068 0.000 0.943 624 D HN 0.414 nan 8.370 nan 0.000 0.488 625 L N -0.542 120.703 121.223 0.036 0.000 2.551 625 L HA 0.004 4.344 4.340 -0.000 0.000 0.228 625 L C 1.742 178.563 176.870 -0.082 0.000 1.153 625 L CA 0.576 55.410 54.840 -0.010 0.000 0.851 625 L CB -0.274 41.792 42.059 0.013 0.000 0.959 625 L HN 0.254 nan 8.230 nan 0.000 0.451 626 H N -0.725 118.260 119.070 -0.143 0.000 2.544 626 H HA 0.039 4.595 4.556 -0.000 0.000 0.269 626 H C 0.593 175.855 175.328 -0.110 0.000 0.970 626 H CA 0.529 56.490 56.048 -0.144 0.000 1.219 626 H CB 0.576 30.229 29.762 -0.182 0.000 1.421 626 H HN 0.374 nan 8.280 nan 0.000 0.555 627 D N 0.893 121.308 120.400 0.026 0.000 2.368 627 D HA -0.000 4.640 4.640 -0.000 0.000 0.218 627 D C 1.092 177.382 176.300 -0.018 0.000 1.112 627 D CA 0.098 54.091 54.000 -0.011 0.000 0.834 627 D CB 0.212 41.005 40.800 -0.013 0.000 0.953 627 D HN 0.305 nan 8.370 nan 0.000 0.505 628 T N -2.649 111.891 114.554 -0.023 0.000 2.828 628 T HA 0.447 4.797 4.350 -0.000 0.000 0.290 628 T C 1.591 176.285 174.700 -0.010 0.000 1.019 628 T CA -0.248 61.842 62.100 -0.017 0.000 1.031 628 T CB 1.857 70.711 68.868 -0.024 0.000 1.001 628 T HN -0.058 nan 8.240 nan 0.000 0.531 629 A N 1.574 124.400 122.820 0.010 0.000 1.972 629 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 629 A C 2.499 180.090 177.584 0.011 0.000 1.169 629 A CA 1.766 53.822 52.037 0.030 0.000 0.635 629 A CB -1.711 17.319 19.000 0.050 0.000 0.810 629 A HN 1.146 nan 8.150 nan 0.000 0.446 630 G N -0.252 108.546 108.800 -0.004 0.000 2.513 630 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 630 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 630 G C 1.745 176.629 174.900 -0.028 0.000 1.160 630 G CA 1.315 46.406 45.100 -0.014 0.000 0.767 630 G HN 0.593 nan 8.290 nan 0.000 0.571 631 R N -0.411 120.062 120.500 -0.044 0.000 2.073 631 R HA 0.082 4.422 4.340 -0.000 0.000 0.234 631 R C 2.733 178.999 176.300 -0.056 0.000 1.134 631 R CA 1.460 57.523 56.100 -0.061 0.000 0.952 631 R CB -0.300 29.952 30.300 -0.079 0.000 0.850 631 R HN 0.385 nan 8.270 nan 0.000 0.433 632 M N 0.085 119.656 119.600 -0.048 0.000 2.080 632 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 632 M C 2.195 178.490 176.300 -0.007 0.000 1.068 632 M CA 1.453 56.729 55.300 -0.040 0.000 1.109 632 M CB -0.280 32.329 32.600 0.015 0.000 1.342 632 M HN 0.240 nan 8.290 nan 0.000 0.405 633 L N 0.348 121.573 121.223 0.002 0.000 2.056 633 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 633 L C 2.343 179.203 176.870 -0.016 0.000 1.078 633 L CA 1.780 56.620 54.840 0.001 0.000 0.749 633 L CB -0.528 41.536 42.059 0.010 0.000 0.901 633 L HN 0.164 nan 8.230 nan 0.000 0.433 634 E N 0.041 120.228 120.200 -0.022 0.000 2.110 634 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 634 E C 1.950 178.531 176.600 -0.031 0.000 0.988 634 E CA 0.952 57.336 56.400 -0.027 0.000 0.804 634 E CB -0.152 29.528 29.700 -0.033 0.000 0.745 634 E HN 0.430 nan 8.360 nan 0.000 0.458 635 K N -0.551 119.825 120.400 -0.039 0.000 2.459 635 K HA 0.041 4.361 4.320 -0.000 0.000 0.193 635 K C 1.039 177.619 176.600 -0.034 0.000 1.030 635 K CA 0.684 56.946 56.287 -0.042 0.000 1.026 635 K CB 0.333 32.796 32.500 -0.063 0.000 0.809 635 K HN 0.265 nan 8.250 nan 0.000 0.504 636 G N 1.578 110.358 108.800 -0.033 0.000 2.143 636 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.248 636 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.248 636 G C 0.869 175.754 174.900 -0.025 0.000 0.991 636 G CA 0.582 45.656 45.100 -0.044 0.000 0.689 636 G HN 0.247 nan 8.290 nan 0.000 0.522 637 V N -1.404 118.523 119.914 0.022 0.000 2.871 637 V HA 0.476 4.596 4.120 -0.000 0.000 0.256 637 V C 1.363 177.593 176.094 0.226 0.000 1.082 637 V CA 1.457 63.842 62.300 0.141 0.000 1.105 637 V CB -0.482 31.407 31.823 0.110 0.000 0.713 637 V HN 1.109 nan 8.190 nan 0.000 0.473 638 I N -4.995 115.646 120.570 0.117 0.000 2.693 638 I HA 0.545 4.715 4.170 -0.000 0.000 0.303 638 I C 1.031 177.109 176.117 -0.066 0.000 1.025 638 I CA -1.136 60.210 61.300 0.077 0.000 1.086 638 I CB 1.509 39.595 38.000 0.142 0.000 1.268 638 I HN -0.091 nan 8.210 nan 0.000 0.440 639 Y N 1.219 121.353 120.300 -0.277 0.000 2.163 639 Y HA 0.022 4.572 4.550 -0.000 0.000 0.288 639 Y C 0.836 176.681 175.900 -0.091 0.000 1.136 639 Y CA 1.789 59.733 58.100 -0.260 0.000 1.147 639 Y CB 0.270 38.391 38.460 -0.564 0.000 0.987 639 Y HN 0.733 nan 8.280 nan 0.000 0.509 640 D N -2.358 118.094 120.400 0.087 0.000 2.653 640 D HA 0.279 4.919 4.640 -0.000 0.000 0.258 640 D C -1.507 174.852 176.300 0.099 0.000 1.252 640 D CA -0.557 53.519 54.000 0.126 0.000 0.777 640 D CB 1.104 42.011 40.800 0.178 0.000 1.339 640 D HN -0.138 nan 8.370 nan 0.000 0.422 641 I N 2.261 122.850 120.570 0.032 0.000 2.325 641 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 641 I C -0.003 176.066 176.117 -0.079 0.000 1.019 641 I CA -0.409 60.902 61.300 0.019 0.000 1.302 641 I CB 0.589 38.604 38.000 0.024 0.000 1.401 641 I HN 0.144 nan 8.210 nan 0.000 0.485 642 L N 5.777 126.947 121.223 -0.089 0.000 2.331 642 L HA 0.602 4.942 4.340 -0.000 0.000 0.268 642 L C -0.059 176.796 176.870 -0.024 0.000 1.015 642 L CA -0.917 53.794 54.840 -0.216 0.000 0.807 642 L CB 1.356 43.141 42.059 -0.457 0.000 1.293 642 L HN 0.493 nan 8.230 nan 0.000 0.451 643 E N 0.228 120.419 120.200 -0.016 0.000 2.224 643 E HA 0.018 4.368 4.350 -0.000 0.000 0.265 643 E C -0.091 176.600 176.600 0.152 0.000 0.878 643 E CA -0.446 56.002 56.400 0.080 0.000 0.759 643 E CB 1.949 31.669 29.700 0.033 0.000 1.164 643 E HN 0.667 nan 8.360 nan 0.000 0.414 644 W N 5.017 126.357 121.300 0.067 0.000 2.283 644 W HA -0.373 4.287 4.660 -0.000 0.000 0.335 644 W C 1.327 177.889 176.519 0.072 0.000 1.313 644 W CA 1.925 59.331 57.345 0.103 0.000 1.263 644 W CB 0.055 29.519 29.460 0.007 0.000 1.141 644 W HN 0.591 nan 8.180 nan 0.000 0.468 645 K N -1.036 119.308 120.400 -0.094 0.000 2.077 645 K HA -0.255 4.065 4.320 -0.000 0.000 0.213 645 K C 1.814 178.282 176.600 -0.220 0.000 1.051 645 K CA 2.980 59.157 56.287 -0.184 0.000 0.929 645 K CB -0.693 31.782 32.500 -0.041 0.000 0.715 645 K HN 0.340 nan 8.250 nan 0.000 0.451 646 T N -2.781 111.698 114.554 -0.126 0.000 3.086 646 T HA 0.311 4.661 4.350 -0.000 0.000 0.250 646 T C 1.686 176.344 174.700 -0.070 0.000 1.074 646 T CA 0.366 62.418 62.100 -0.080 0.000 0.988 646 T CB 0.538 69.403 68.868 -0.005 0.000 0.988 646 T HN 0.141 nan 8.240 nan 0.000 0.530 647 A N 2.546 125.285 122.820 -0.134 0.000 1.940 647 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 647 A C 2.483 180.008 177.584 -0.097 0.000 1.176 647 A CA 1.632 53.612 52.037 -0.096 0.000 0.631 647 A CB -0.739 18.269 19.000 0.014 0.000 0.814 647 A HN 0.558 nan 8.150 nan 0.000 0.446 648 R N -0.093 120.174 120.500 -0.389 0.000 2.070 648 R HA -0.120 4.220 4.340 -0.000 0.000 0.233 648 R C 2.282 178.374 176.300 -0.347 0.000 1.137 648 R CA 2.013 57.670 56.100 -0.737 0.000 0.945 648 R CB -0.417 29.385 30.300 -0.830 0.000 0.845 648 R HN 0.469 nan 8.270 nan 0.000 0.430 649 S N 0.670 116.268 115.700 -0.171 0.000 2.351 649 S HA -0.180 4.289 4.470 -0.000 0.000 0.220 649 S C 1.539 176.229 174.600 0.150 0.000 1.035 649 S CA 1.497 59.701 58.200 0.006 0.000 1.031 649 S CB -0.639 62.615 63.200 0.090 0.000 0.928 649 S HN 0.372 nan 8.310 nan 0.000 0.433 650 F N 2.283 122.241 119.950 0.014 0.000 2.015 650 F HA -0.178 4.348 4.527 -0.000 0.000 0.297 650 F C 1.986 177.744 175.800 -0.069 0.000 1.141 650 F CA 1.581 59.576 58.000 -0.008 0.000 1.192 650 F CB -0.629 38.297 39.000 -0.123 0.000 0.957 650 F HN 0.071 nan 8.300 nan 0.000 0.491 651 L N -0.994 120.317 121.223 0.146 0.000 2.265 651 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 651 L C 2.250 179.082 176.870 -0.062 0.000 1.117 651 L CA 1.237 56.079 54.840 0.004 0.000 0.782 651 L CB -0.893 41.201 42.059 0.058 0.000 0.914 651 L HN 0.369 nan 8.230 nan 0.000 0.441 652 Y N -0.395 119.782 120.300 -0.206 0.000 2.133 652 Y HA -0.240 4.310 4.550 -0.000 0.000 0.287 652 Y C 2.092 177.774 175.900 -0.364 0.000 1.134 652 Y CA 1.304 59.206 58.100 -0.330 0.000 1.133 652 Y CB -0.537 37.605 38.460 -0.530 0.000 0.987 652 Y HN 0.042 nan 8.280 nan 0.000 0.502 653 W N 0.234 121.329 121.300 -0.343 0.000 2.402 653 W HA -0.100 4.560 4.660 -0.000 0.000 0.286 653 W C 2.609 178.864 176.519 -0.440 0.000 1.221 653 W CA 1.210 58.300 57.345 -0.425 0.000 1.257 653 W CB -0.305 28.982 29.460 -0.288 0.000 1.120 653 W HN -0.054 nan 8.180 nan 0.000 0.551 654 R N 0.596 120.945 120.500 -0.253 0.000 2.090 654 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 654 R C 1.957 178.143 176.300 -0.189 0.000 1.110 654 R CA 1.259 57.215 56.100 -0.240 0.000 0.973 654 R CB -0.929 29.222 30.300 -0.248 0.000 0.869 654 R HN 0.205 nan 8.270 nan 0.000 0.440 655 L N 0.303 121.397 121.223 -0.214 0.000 2.109 655 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 655 L C 2.157 178.896 176.870 -0.218 0.000 1.086 655 L CA 1.572 56.313 54.840 -0.165 0.000 0.760 655 L CB -0.396 41.600 42.059 -0.104 0.000 0.910 655 L HN 0.085 nan 8.230 nan 0.000 0.437 656 R N -0.242 120.016 120.500 -0.403 0.000 2.081 656 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 656 R C 2.444 178.639 176.300 -0.177 0.000 1.131 656 R CA 1.707 57.585 56.100 -0.371 0.000 0.960 656 R CB -0.328 29.606 30.300 -0.610 0.000 0.856 656 R HN 0.395 nan 8.270 nan 0.000 0.436 657 R N 0.484 120.890 120.500 -0.156 0.000 2.070 657 R HA -0.071 4.269 4.340 -0.000 0.000 0.233 657 R C 2.456 178.715 176.300 -0.069 0.000 1.137 657 R CA 1.313 57.346 56.100 -0.111 0.000 0.945 657 R CB -0.403 29.801 30.300 -0.160 0.000 0.845 657 R HN 0.158 nan 8.270 nan 0.000 0.430 658 L N 0.579 121.762 121.223 -0.067 0.000 2.042 658 L HA -0.213 4.126 4.340 -0.000 0.000 0.210 658 L C 2.458 179.334 176.870 0.011 0.000 1.076 658 L CA 1.275 56.106 54.840 -0.015 0.000 0.749 658 L CB -0.393 41.654 42.059 -0.020 0.000 0.893 658 L HN 0.327 nan 8.230 nan 0.000 0.432 659 L N -0.828 120.388 121.223 -0.012 0.000 2.027 659 L HA -0.221 4.118 4.340 -0.000 0.000 0.206 659 L C 2.512 179.393 176.870 0.019 0.000 1.074 659 L CA 1.069 55.914 54.840 0.008 0.000 0.745 659 L CB -0.402 41.654 42.059 -0.006 0.000 0.898 659 L HN 0.236 nan 8.230 nan 0.000 0.433 660 L N -0.402 120.822 121.223 0.002 0.000 2.017 660 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 660 L C 2.573 179.473 176.870 0.049 0.000 1.073 660 L CA 1.455 56.306 54.840 0.017 0.000 0.745 660 L CB -0.466 41.593 42.059 -0.000 0.000 0.894 660 L HN 0.280 nan 8.230 nan 0.000 0.432 661 E N -0.464 119.774 120.200 0.063 0.000 2.153 661 E HA -0.212 4.137 4.350 -0.000 0.000 0.194 661 E C 2.303 178.976 176.600 0.122 0.000 0.988 661 E CA 1.441 57.907 56.400 0.111 0.000 0.811 661 E CB -0.062 29.711 29.700 0.122 0.000 0.746 661 E HN 0.507 nan 8.360 nan 0.000 0.466 662 S N 0.634 116.397 115.700 0.105 0.000 2.402 662 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 662 S C 1.940 176.596 174.600 0.094 0.000 1.021 662 S CA 0.962 59.227 58.200 0.109 0.000 0.974 662 S CB -0.086 63.168 63.200 0.092 0.000 0.800 662 S HN 0.220 nan 8.310 nan 0.000 0.484 663 Q N 0.256 120.103 119.800 0.079 0.000 2.123 663 Q HA 0.013 4.352 4.340 -0.000 0.000 0.199 663 Q C 2.387 178.434 176.000 0.079 0.000 0.966 663 Q CA 1.447 57.292 55.803 0.069 0.000 0.845 663 Q CB -0.333 28.439 28.738 0.058 0.000 0.907 663 Q HN 0.499 nan 8.270 nan 0.000 0.439 664 V N 1.514 121.485 119.914 0.096 0.000 2.295 664 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 664 V C 2.354 178.514 176.094 0.110 0.000 1.049 664 V CA 1.620 63.989 62.300 0.116 0.000 1.024 664 V CB -0.492 31.425 31.823 0.156 0.000 0.648 664 V HN 0.300 nan 8.190 nan 0.000 0.447 665 K N -0.205 120.265 120.400 0.118 0.000 2.152 665 K HA -0.249 4.071 4.320 -0.000 0.000 0.206 665 K C 2.229 178.886 176.600 0.094 0.000 1.048 665 K CA 1.921 58.279 56.287 0.118 0.000 0.933 665 K CB -0.120 32.474 32.500 0.157 0.000 0.721 665 K HN 0.609 nan 8.250 nan 0.000 0.447 666 Q N 0.304 120.153 119.800 0.083 0.000 2.083 666 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 666 Q C 1.638 177.669 176.000 0.051 0.000 0.969 666 Q CA 1.050 56.891 55.803 0.063 0.000 0.838 666 Q CB 0.149 28.921 28.738 0.057 0.000 0.900 666 Q HN 0.279 nan 8.270 nan 0.000 0.436 667 E N -0.022 120.210 120.200 0.054 0.000 2.077 667 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 667 E C 2.192 178.815 176.600 0.037 0.000 0.989 667 E CA 1.271 57.698 56.400 0.044 0.000 0.800 667 E CB -0.067 29.663 29.700 0.050 0.000 0.746 667 E HN 0.235 nan 8.360 nan 0.000 0.452 668 V N 1.899 121.840 119.914 0.046 0.000 2.223 668 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 668 V C 2.245 178.353 176.094 0.024 0.000 1.045 668 V CA 1.437 63.758 62.300 0.035 0.000 1.000 668 V CB -0.492 31.361 31.823 0.051 0.000 0.635 668 V HN 0.247 nan 8.190 nan 0.000 0.445 669 L N 0.027 121.272 121.223 0.036 0.000 2.762 669 L HA 0.004 4.344 4.340 -0.000 0.000 0.250 669 L C 2.182 179.064 176.870 0.021 0.000 1.160 669 L CA 0.486 55.343 54.840 0.028 0.000 0.951 669 L CB -0.701 41.385 42.059 0.045 0.000 1.148 669 L HN 0.235 nan 8.230 nan 0.000 0.424 670 R N 0.304 120.814 120.500 0.017 0.000 2.146 670 R HA 0.134 4.474 4.340 -0.000 0.000 0.206 670 R C 2.274 178.576 176.300 0.005 0.000 1.049 670 R CA 1.118 57.225 56.100 0.013 0.000 1.029 670 R CB 0.019 30.328 30.300 0.015 0.000 0.949 670 R HN 0.292 nan 8.270 nan 0.000 0.471 671 A N -0.591 122.230 122.820 0.000 0.000 1.911 671 A HA 0.056 4.375 4.320 -0.000 0.000 0.212 671 A C 0.553 178.129 177.584 -0.013 0.000 1.189 671 A CA 0.799 52.831 52.037 -0.007 0.000 0.639 671 A CB 0.102 19.097 19.000 -0.009 0.000 0.839 671 A HN 0.441 nan 8.150 nan 0.000 0.449 672 C N -1.748 117.541 119.300 -0.017 0.000 3.335 672 C HA 0.512 4.972 4.460 -0.000 0.000 0.217 672 C C -2.294 172.680 174.990 -0.027 0.000 1.330 672 C CA -1.593 57.406 59.018 -0.032 0.000 1.470 672 C CB 0.018 27.726 27.740 -0.053 0.000 1.806 672 C HN 0.290 nan 8.230 nan 0.000 0.468 673 P HA 0.000 nan 4.420 nan 0.000 0.247 673 P C 1.335 178.634 177.300 -0.001 0.000 1.225 673 P CA 1.251 64.351 63.100 0.001 0.000 0.768 673 P CB 0.202 31.906 31.700 0.007 0.000 1.020 674 E N -0.584 119.602 120.200 -0.024 0.000 2.318 674 E HA 0.092 4.442 4.350 -0.000 0.000 0.193 674 E C 0.951 177.519 176.600 -0.054 0.000 0.998 674 E CA 0.099 56.483 56.400 -0.026 0.000 0.859 674 E CB -0.220 29.461 29.700 -0.032 0.000 0.812 674 E HN 0.344 nan 8.360 nan 0.000 0.492 675 L N 1.736 122.885 121.223 -0.123 0.000 2.483 675 L HA 0.007 4.347 4.340 -0.000 0.000 0.275 675 L C 1.162 178.063 176.870 0.052 0.000 1.220 675 L CA -0.123 54.569 54.840 -0.247 0.000 0.833 675 L CB 0.365 42.263 42.059 -0.269 0.000 1.102 675 L HN 0.027 nan 8.230 nan 0.000 0.490 676 S N -0.757 115.151 115.700 0.347 0.000 2.718 676 S HA 0.146 4.616 4.470 -0.000 0.000 0.292 676 S C 0.845 175.607 174.600 0.271 0.000 1.125 676 S CA -0.365 58.016 58.200 0.301 0.000 1.013 676 S CB 0.853 64.227 63.200 0.289 0.000 1.192 676 S HN 0.719 nan 8.310 nan 0.000 0.535 677 H N 0.779 119.937 119.070 0.146 0.000 2.389 677 H HA 0.001 4.557 4.556 -0.000 0.000 0.299 677 H C 1.958 177.364 175.328 0.129 0.000 1.081 677 H CA 2.405 58.531 56.048 0.129 0.000 1.345 677 H CB -0.210 29.617 29.762 0.109 0.000 1.393 677 H HN 0.577 nan 8.280 nan 0.000 0.520 678 M N -1.130 118.503 119.600 0.054 0.000 2.319 678 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 678 M C 1.397 177.646 176.300 -0.084 0.000 1.068 678 M CA 1.532 56.800 55.300 -0.055 0.000 1.118 678 M CB -1.101 31.485 32.600 -0.023 0.000 1.395 678 M HN 0.341 nan 8.290 nan 0.000 0.435 679 H N 1.106 120.175 119.070 -0.002 0.000 2.423 679 H HA 0.004 4.560 4.556 -0.000 0.000 0.297 679 H C 2.333 177.657 175.328 -0.007 0.000 1.075 679 H CA 1.634 57.681 56.048 -0.000 0.000 1.342 679 H CB -0.192 29.578 29.762 0.013 0.000 1.395 679 H HN 0.208 nan 8.280 nan 0.000 0.530 680 V N 0.265 120.237 119.914 0.096 0.000 2.407 680 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 680 V C 2.216 178.335 176.094 0.041 0.000 1.041 680 V CA 1.268 63.606 62.300 0.063 0.000 1.040 680 V CB -0.262 31.593 31.823 0.052 0.000 0.671 680 V HN 0.376 nan 8.190 nan 0.000 0.455 681 Q N 0.972 120.733 119.800 -0.065 0.000 2.020 681 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 681 Q C 2.623 178.615 176.000 -0.012 0.000 0.982 681 Q CA 2.358 58.160 55.803 -0.001 0.000 0.838 681 Q CB -0.792 27.908 28.738 -0.065 0.000 0.899 681 Q HN 0.795 nan 8.270 nan 0.000 0.423 682 S N 0.052 115.716 115.700 -0.059 0.000 2.428 682 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 682 S C 1.897 176.441 174.600 -0.093 0.000 1.014 682 S CA 0.927 59.056 58.200 -0.118 0.000 0.957 682 S CB -0.273 62.870 63.200 -0.094 0.000 0.784 682 S HN 0.302 nan 8.310 nan 0.000 0.499 683 M N 1.578 121.181 119.600 0.005 0.000 2.059 683 M HA -0.063 4.416 4.480 -0.000 0.000 0.259 683 M C 2.034 178.438 176.300 0.174 0.000 1.072 683 M CA 1.718 57.062 55.300 0.073 0.000 1.117 683 M CB -0.518 32.141 32.600 0.099 0.000 1.320 683 M HN 0.361 nan 8.290 nan 0.000 0.408 684 L N -0.354 121.018 121.223 0.249 0.000 2.046 684 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 684 L C 2.844 179.645 176.870 -0.115 0.000 1.077 684 L CA 1.382 56.502 54.840 0.468 0.000 0.747 684 L CB -0.867 41.578 42.059 0.644 0.000 0.896 684 L HN 0.393 nan 8.230 nan 0.000 0.432 685 R N 0.415 120.425 120.500 -0.817 0.000 2.080 685 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 685 R C 2.494 178.410 176.300 -0.640 0.000 1.137 685 R CA 1.888 57.047 56.100 -1.568 0.000 0.943 685 R CB -0.193 29.316 30.300 -1.318 0.000 0.846 685 R HN 0.233 nan 8.270 nan 0.000 0.431 686 R N -0.698 119.634 120.500 -0.279 0.000 2.115 686 R HA -0.161 4.179 4.340 -0.000 0.000 0.226 686 R C 2.034 178.377 176.300 0.071 0.000 1.100 686 R CA 1.311 57.354 56.100 -0.094 0.000 0.980 686 R CB -0.358 29.912 30.300 -0.050 0.000 0.875 686 R HN 0.336 nan 8.270 nan 0.000 0.445 687 W N 0.354 121.630 121.300 -0.039 0.000 2.374 687 W HA -0.199 4.461 4.660 -0.000 0.000 0.288 687 W C 1.496 178.057 176.519 0.070 0.000 1.218 687 W CA 0.801 58.223 57.345 0.128 0.000 1.245 687 W CB -0.692 28.972 29.460 0.339 0.000 1.126 687 W HN 0.084 nan 8.180 nan 0.000 0.545 688 F N -0.000 119.737 119.950 -0.355 0.000 2.259 688 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 688 F C 2.123 177.668 175.800 -0.425 0.000 1.088 688 F CA 1.681 59.162 58.000 -0.866 0.000 1.358 688 F CB -0.730 37.611 39.000 -1.099 0.000 1.040 688 F HN -0.288 nan 8.300 nan 0.000 0.505 689 V N 0.614 120.416 119.914 -0.187 0.000 2.225 689 V HA -0.411 3.709 4.120 -0.000 0.000 0.252 689 V C 1.677 177.657 176.094 -0.190 0.000 1.055 689 V CA 2.676 64.882 62.300 -0.156 0.000 1.032 689 V CB -0.721 31.053 31.823 -0.082 0.000 0.655 689 V HN 0.579 nan 8.190 nan 0.000 0.458 690 E N -2.624 117.510 120.200 -0.110 0.000 4.393 690 E HA -0.151 4.199 4.350 -0.000 0.000 0.400 690 E C 0.755 177.386 176.600 0.052 0.000 0.566 690 E CA 0.999 57.393 56.400 -0.009 0.000 1.524 690 E CB -1.422 28.300 29.700 0.037 0.000 1.913 690 E HN 0.863 nan 8.360 nan 0.000 0.328 691 T N -4.894 109.632 114.554 -0.047 0.000 3.827 691 T HA 0.086 4.436 4.350 -0.000 0.000 0.307 691 T C 1.235 175.870 174.700 -0.108 0.000 0.930 691 T CA 0.152 62.261 62.100 0.015 0.000 1.171 691 T CB -0.156 68.776 68.868 0.107 0.000 1.092 691 T HN -0.034 nan 8.240 nan 0.000 0.489 692 E N 1.721 121.702 120.200 -0.364 0.000 2.127 692 E HA 0.351 4.701 4.350 -0.000 0.000 0.191 692 E C 1.537 177.959 176.600 -0.296 0.000 0.964 692 E CA 1.100 57.254 56.400 -0.411 0.000 0.832 692 E CB -0.030 29.164 29.700 -0.843 0.000 0.790 692 E HN 0.624 nan 8.360 nan 0.000 0.465 693 G N 0.537 109.148 108.800 -0.315 0.000 3.271 693 G HA2 0.350 4.310 3.960 -0.000 0.000 0.174 693 G HA3 0.350 4.310 3.960 -0.000 0.000 0.174 693 G C 0.817 175.659 174.900 -0.096 0.000 1.385 693 G CA 0.220 45.221 45.100 -0.166 0.000 0.979 693 G HN 0.185 nan 8.290 nan 0.000 0.610 694 A N -0.570 122.213 122.820 -0.060 0.000 2.264 694 A HA 0.269 4.588 4.320 -0.000 0.000 0.207 694 A C 2.076 179.660 177.584 -0.000 0.000 1.196 694 A CA 1.068 53.080 52.037 -0.042 0.000 0.778 694 A CB -0.502 18.484 19.000 -0.023 0.000 0.779 694 A HN 0.727 nan 8.150 nan 0.000 0.483 695 V N -0.142 119.773 119.914 0.003 0.000 2.453 695 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 695 V C 1.693 177.881 176.094 0.157 0.000 1.048 695 V CA 2.049 64.379 62.300 0.051 0.000 1.049 695 V CB -0.357 31.484 31.823 0.030 0.000 0.672 695 V HN 0.621 nan 8.190 nan 0.000 0.457 696 K N 0.321 120.768 120.400 0.077 0.000 2.504 696 K HA 0.320 4.639 4.320 -0.000 0.000 0.199 696 K C 1.748 178.402 176.600 0.089 0.000 1.028 696 K CA 0.478 56.803 56.287 0.064 0.000 1.164 696 K CB 0.086 32.501 32.500 -0.141 0.000 0.877 696 K HN 0.520 nan 8.250 nan 0.000 0.508 697 A N 1.202 124.128 122.820 0.175 0.000 1.972 697 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 697 A C 2.012 179.760 177.584 0.274 0.000 1.169 697 A CA 1.197 53.358 52.037 0.207 0.000 0.635 697 A CB -0.659 18.419 19.000 0.129 0.000 0.810 697 A HN 0.599 nan 8.150 nan 0.000 0.446 698 Y N -0.791 119.586 120.300 0.127 0.000 2.421 698 Y HA 0.099 4.649 4.550 -0.000 0.000 0.292 698 Y C 1.374 177.345 175.900 0.118 0.000 1.136 698 Y CA 0.849 59.014 58.100 0.109 0.000 1.255 698 Y CB -0.761 37.737 38.460 0.064 0.000 0.991 698 Y HN 0.138 nan 8.280 nan 0.000 0.552 699 L N -0.050 120.875 121.223 -0.496 0.000 2.599 699 L HA -0.061 4.279 4.340 -0.000 0.000 0.230 699 L C 2.251 178.974 176.870 -0.245 0.000 1.141 699 L CA 0.133 54.723 54.840 -0.417 0.000 0.877 699 L CB -0.500 41.323 42.059 -0.394 0.000 1.009 699 L HN 0.584 nan 8.230 nan 0.000 0.447 700 W N 1.239 122.345 121.300 -0.323 0.000 2.519 700 W HA -0.142 4.517 4.660 -0.000 0.000 0.266 700 W C 0.981 177.293 176.519 -0.345 0.000 1.253 700 W CA 0.870 57.855 57.345 -0.600 0.000 1.274 700 W CB 0.185 29.411 29.460 -0.390 0.000 1.114 700 W HN 0.240 nan 8.180 nan 0.000 0.596 701 D N 0.232 120.506 120.400 -0.209 0.000 2.347 701 D HA -0.063 4.577 4.640 -0.000 0.000 0.213 701 D C -0.043 176.129 176.300 -0.214 0.000 0.985 701 D CA 0.699 54.602 54.000 -0.162 0.000 0.879 701 D CB -0.301 40.509 40.800 0.016 0.000 0.919 701 D HN 0.156 nan 8.370 nan 0.000 0.526 702 N N 0.890 119.413 118.700 -0.294 0.000 2.414 702 N HA 0.046 4.786 4.740 -0.000 0.000 0.256 702 N C 1.010 176.288 175.510 -0.388 0.000 1.029 702 N CA -0.293 52.582 53.050 -0.291 0.000 0.948 702 N CB 0.607 38.928 38.487 -0.277 0.000 1.102 702 N HN -0.192 nan 8.380 nan 0.000 0.496 703 N N 2.340 120.809 118.700 -0.386 0.000 2.106 703 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 703 N C 1.318 176.630 175.510 -0.329 0.000 1.029 703 N CA 1.007 53.836 53.050 -0.368 0.000 0.848 703 N CB -0.183 38.087 38.487 -0.361 0.000 1.007 703 N HN 0.725 nan 8.380 nan 0.000 0.423 704 Q N 0.787 120.269 119.800 -0.529 0.000 2.077 704 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 704 Q C 1.544 177.230 176.000 -0.523 0.000 0.989 704 Q CA 2.150 57.391 55.803 -0.937 0.000 0.853 704 Q CB -0.109 27.779 28.738 -1.417 0.000 0.907 704 Q HN 0.259 nan 8.270 nan 0.000 0.418 705 T N 0.132 114.458 114.554 -0.380 0.000 2.708 705 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 705 T C 1.865 176.499 174.700 -0.110 0.000 1.037 705 T CA 1.524 63.501 62.100 -0.205 0.000 1.146 705 T CB -0.311 68.449 68.868 -0.181 0.000 0.865 705 T HN 0.151 nan 8.240 nan 0.000 0.435 706 V N 1.217 120.965 119.914 -0.276 0.000 2.427 706 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 706 V C 2.679 178.789 176.094 0.026 0.000 1.051 706 V CA 1.144 63.293 62.300 -0.251 0.000 1.048 706 V CB -0.729 30.706 31.823 -0.645 0.000 0.666 706 V HN 0.307 nan 8.190 nan 0.000 0.456 707 V N -0.403 119.495 119.914 -0.027 0.000 2.343 707 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 707 V C 2.468 178.625 176.094 0.105 0.000 1.051 707 V CA 2.060 64.401 62.300 0.070 0.000 1.036 707 V CB -0.688 31.262 31.823 0.211 0.000 0.654 707 V HN 0.569 nan 8.190 nan 0.000 0.451 708 Q N -1.510 118.338 119.800 0.079 0.000 2.050 708 Q HA -0.283 4.056 4.340 -0.000 0.000 0.202 708 Q C 2.072 178.163 176.000 0.152 0.000 0.980 708 Q CA 2.366 58.225 55.803 0.094 0.000 0.840 708 Q CB -0.328 28.424 28.738 0.022 0.000 0.898 708 Q HN 0.806 nan 8.270 nan 0.000 0.424 709 W N 1.195 122.499 121.300 0.007 0.000 2.338 709 W HA -0.189 4.471 4.660 -0.000 0.000 0.304 709 W C 1.458 177.964 176.519 -0.021 0.000 1.212 709 W CA 1.260 58.609 57.345 0.007 0.000 1.264 709 W CB -0.258 29.225 29.460 0.038 0.000 1.142 709 W HN 0.046 nan 8.180 nan 0.000 0.512 710 L N 0.328 121.491 121.223 -0.101 0.000 1.988 710 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 710 L C 2.607 179.374 176.870 -0.172 0.000 1.071 710 L CA 2.006 56.677 54.840 -0.283 0.000 0.744 710 L CB -0.962 41.045 42.059 -0.086 0.000 0.893 710 L HN -0.034 nan 8.230 nan 0.000 0.433 711 E N -0.170 120.004 120.200 -0.043 0.000 2.097 711 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 711 E C 2.106 178.693 176.600 -0.021 0.000 1.000 711 E CA 1.352 57.748 56.400 -0.006 0.000 0.804 711 E CB -0.147 29.584 29.700 0.052 0.000 0.740 711 E HN 0.534 nan 8.360 nan 0.000 0.454 712 A N 1.080 123.890 122.820 -0.017 0.000 1.826 712 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 712 A C 0.975 178.504 177.584 -0.092 0.000 1.212 712 A CA 0.922 52.947 52.037 -0.020 0.000 0.605 712 A CB -0.712 18.315 19.000 0.045 0.000 0.861 712 A HN 0.159 nan 8.150 nan 0.000 0.447 713 H N 0.000 118.867 119.070 -0.338 0.000 2.539 713 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 713 H CA 0.000 55.792 56.048 -0.427 0.000 1.023 713 H CB 0.000 29.156 29.762 -1.010 0.000 1.292 713 H HN 0.000 nan 8.280 nan 0.000 0.496