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 3lpo_1_B DATA FIRST_RESID 29 DATA SEQUENCE KcPNVLNDPV NVRINcIPEQ FPTEGIcAQR GccWRPWNDS LIPWcFFVDN DATA SEQUENCE HGYNVQDMTT TSIGVEAKLN RIPSPTLFGN DINSVLFTTQ NQTPNRFRFK DATA SEQUENCE ITDPNNRRYE VPHQYVKEFT GPTVSDTLYD VKVAQNPFSI QVIRKSNGKT DATA SEQUENCE LFDTSIGPLV YSDQYLQISA RLPSDYIYGI GEQVHKRFRH DLSWKTWPIF DATA SEQUENCE TRDQLPGDNN NNLYGHQTFF MCIEDTSGKS FGVFLMNSNA MEIFIQPTPI DATA SEQUENCE VTYRVTGGIL DFYILLGDTP EQVVQQYQQL VGLPAMPAYW NLGFQLSRWN DATA SEQUENCE YKSLDVVKEV VRRNREAGIP FDTQVTDIDY MEDKKDFTYD QVAFNGLPQF DATA SEQUENCE VQDLHDHGQK YVIILDPAIS IGRRANGTTY ATYERGNTQH VWINESDGST DATA SEQUENCE PIIGEVWPGL TVYPDFTNPN CIDWWANECS IFHQEVQYDG LWIDMNEVSS DATA SEQUENCE FIQGSTKGCN VNKLNYPPFT PDILDKLMYS KTICMDAVQN WGKQYDVHSL DATA SEQUENCE YGYSMAIATE QAVQKVFPNK RSFILTRSTF AGSGRHAAHW LGDNTASWEQ DATA SEQUENCE MEWSITGMLE FSLFGIPLVG ADIcGFVAET TEELcRRWMQ LGAFYPFSRN DATA SEQUENCE HNSDGYEHQD PAFFGQNSLL VKSSRQYLTI RYTLLPFLYT LFYKAHVFGE DATA SEQUENCE TVARPVLHEF YEDTNSWIED TEFLWGPALL ITPVLKQGAD TVSAYIPDAI DATA SEQUENCE WYDYESGAKR PWRKQRVDMY LPADKIGLHL RGGYIIPIQE PDVTTTASRK DATA SEQUENCE NPLGLIVALG ENNTAKGDFF WDDGETKDTI QNGNYILYTF SVSNNTLDIV DATA SEQUENCE CTHSSYQEGT TLAFQTVKIL GLTDSVTEVR VAENNQPMNA HSNFTYDASN DATA SEQUENCE QVLLIADLKL NLGRNFSVQW 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.590 176.600 -0.017 0.000 0.988 29 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 29 K CB 0.000 32.504 32.500 0.007 0.000 1.064 30 c N 2.430 121.026 118.600 -0.006 0.000 2.822 30 c HA 0.900 5.470 4.570 -0.000 0.000 0.341 30 c C -2.038 172.083 174.090 0.053 0.000 1.301 30 c CA -1.114 55.214 56.329 -0.001 0.000 1.706 30 c CB 1.619 44.125 42.510 -0.007 0.000 2.178 30 c HN 0.938 nan 8.230 nan 0.000 0.481 31 P HA 0.183 nan 4.420 nan 0.000 0.265 31 P C 0.464 177.804 177.300 0.068 0.000 1.193 31 P CA 0.656 63.815 63.100 0.099 0.000 0.765 31 P CB 0.243 32.024 31.700 0.136 0.000 0.823 32 N N 2.806 121.537 118.700 0.050 0.000 2.104 32 N HA -0.109 4.630 4.740 -0.000 0.000 0.190 32 N C 1.053 176.586 175.510 0.039 0.000 1.024 32 N CA 1.303 54.376 53.050 0.038 0.000 0.853 32 N CB -0.700 37.804 38.487 0.028 0.000 1.008 32 N HN 0.458 nan 8.380 nan 0.000 0.424 33 V N 0.858 120.797 119.914 0.042 0.000 2.529 33 V HA 0.444 4.563 4.120 -0.000 0.000 0.292 33 V C 1.992 178.117 176.094 0.053 0.000 1.028 33 V CA 0.583 62.908 62.300 0.041 0.000 1.074 33 V CB 0.340 32.185 31.823 0.036 0.000 0.958 33 V HN 0.708 nan 8.190 nan 0.000 0.481 34 L N 4.637 125.889 121.223 0.048 0.000 2.005 34 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 34 L C 1.963 178.877 176.870 0.073 0.000 1.072 34 L CA 2.275 57.148 54.840 0.055 0.000 0.744 34 L CB -2.076 40.007 42.059 0.040 0.000 0.895 34 L HN 1.067 nan 8.230 nan 0.000 0.433 35 N N 1.788 120.528 118.700 0.067 0.000 3.303 35 N HA 0.342 5.082 4.740 -0.000 0.000 0.304 35 N C 0.332 175.887 175.510 0.074 0.000 1.302 35 N CA 0.113 53.217 53.050 0.090 0.000 1.213 35 N CB -1.118 37.418 38.487 0.081 0.000 1.481 35 N HN 0.915 nan 8.380 nan 0.000 0.546 36 D N 0.176 120.613 120.400 0.062 0.000 2.362 36 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 36 D C -2.328 173.948 176.300 -0.040 0.000 1.212 36 D CA -0.785 53.227 54.000 0.020 0.000 0.902 36 D CB 0.679 41.501 40.800 0.036 0.000 1.180 36 D HN 0.253 nan 8.370 nan 0.000 0.445 37 P HA 0.057 nan 4.420 nan 0.000 0.287 37 P C 1.030 178.216 177.300 -0.190 0.000 1.294 37 P CA -0.559 62.484 63.100 -0.094 0.000 0.776 37 P CB 1.460 33.127 31.700 -0.055 0.000 0.889 38 V N 0.856 120.611 119.914 -0.265 0.000 2.871 38 V HA -0.097 4.023 4.120 -0.000 0.000 0.256 38 V C 1.387 177.368 176.094 -0.189 0.000 1.082 38 V CA 1.166 63.217 62.300 -0.415 0.000 1.105 38 V CB -1.392 29.970 31.823 -0.768 0.000 0.713 38 V HN 0.368 nan 8.190 nan 0.000 0.473 39 N N 0.254 118.905 118.700 -0.080 0.000 2.521 39 N HA 0.062 4.802 4.740 -0.000 0.000 0.188 39 N C 1.159 176.627 175.510 -0.070 0.000 1.146 39 N CA 0.701 53.742 53.050 -0.015 0.000 0.893 39 N CB 0.390 38.838 38.487 -0.066 0.000 0.975 39 N HN 0.423 nan 8.380 nan 0.000 0.451 40 V N 0.743 120.605 119.914 -0.087 0.000 3.578 40 V HA 0.105 4.225 4.120 -0.000 0.000 0.290 40 V C 0.540 176.596 176.094 -0.065 0.000 1.376 40 V CA 0.093 62.348 62.300 -0.074 0.000 1.083 40 V CB -0.137 31.646 31.823 -0.066 0.000 0.911 40 V HN 0.156 nan 8.190 nan 0.000 0.433 41 R N 0.672 121.088 120.500 -0.139 0.000 2.370 41 R HA 0.283 4.623 4.340 -0.000 0.000 0.309 41 R C -0.806 175.522 176.300 0.045 0.000 1.059 41 R CA -0.121 55.839 56.100 -0.234 0.000 0.981 41 R CB 0.577 30.463 30.300 -0.689 0.000 0.972 41 R HN 0.135 nan 8.270 nan 0.000 0.437 42 I N 3.299 123.978 120.570 0.181 0.000 2.304 42 I HA 0.016 4.186 4.170 -0.000 0.000 0.291 42 I C 0.347 176.617 176.117 0.256 0.000 1.018 42 I CA -0.460 60.997 61.300 0.262 0.000 1.260 42 I CB 0.801 38.997 38.000 0.327 0.000 1.390 42 I HN 0.438 nan 8.210 nan 0.000 0.475 43 N N 4.765 123.526 118.700 0.102 0.000 2.411 43 N HA -0.107 4.632 4.740 -0.000 0.000 0.261 43 N C 0.812 176.174 175.510 -0.246 0.000 1.248 43 N CA 0.382 53.396 53.050 -0.059 0.000 0.885 43 N CB 0.753 39.151 38.487 -0.149 0.000 1.062 43 N HN 0.804 nan 8.380 nan 0.000 0.471 44 c N 4.286 122.573 118.600 -0.521 0.000 2.634 44 c HA 0.373 4.943 4.570 -0.000 0.000 0.268 44 c C 0.829 174.649 174.090 -0.449 0.000 1.322 44 c CA -0.191 55.558 56.329 -0.967 0.000 1.737 44 c CB -0.686 41.213 42.510 -1.018 0.000 1.976 44 c HN 0.687 nan 8.230 nan 0.000 0.547 45 I N 2.461 122.877 120.570 -0.256 0.000 2.621 45 I HA 0.283 4.452 4.170 -0.000 0.000 0.276 45 I C -1.854 174.207 176.117 -0.093 0.000 1.118 45 I CA -1.101 60.108 61.300 -0.151 0.000 1.159 45 I CB 1.263 39.193 38.000 -0.117 0.000 1.357 45 I HN 0.108 nan 8.210 nan 0.000 0.513 46 P HA 0.081 nan 4.420 nan 0.000 0.261 46 P C 0.315 177.690 177.300 0.124 0.000 1.268 46 P CA 0.558 63.661 63.100 0.005 0.000 0.833 46 P CB 0.316 32.037 31.700 0.034 0.000 1.231 47 E N -1.239 119.064 120.200 0.171 0.000 2.630 47 E HA 0.217 4.567 4.350 -0.000 0.000 0.218 47 E C 0.477 177.154 176.600 0.128 0.000 0.977 47 E CA -0.357 56.175 56.400 0.220 0.000 1.038 47 E CB 0.355 30.292 29.700 0.396 0.000 1.051 47 E HN 0.138 nan 8.360 nan 0.000 0.487 48 Q N 0.002 119.852 119.800 0.082 0.000 2.647 48 Q HA 0.259 4.599 4.340 -0.000 0.000 0.283 48 Q C -1.502 174.540 176.000 0.070 0.000 0.943 48 Q CA -0.974 54.879 55.803 0.084 0.000 0.813 48 Q CB 1.000 29.787 28.738 0.081 0.000 1.477 48 Q HN 0.133 nan 8.270 nan 0.000 0.393 49 F N 3.706 123.631 119.950 -0.041 0.000 2.578 49 F HA 0.299 4.826 4.527 -0.000 0.000 0.381 49 F C -2.002 173.782 175.800 -0.026 0.000 1.069 49 F CA -1.076 56.881 58.000 -0.071 0.000 1.231 49 F CB 0.663 39.631 39.000 -0.053 0.000 1.086 49 F HN 0.330 nan 8.300 nan 0.000 0.564 50 P HA 0.154 nan 4.420 nan 0.000 0.267 50 P C -1.062 176.189 177.300 -0.081 0.000 1.205 50 P CA 0.024 62.958 63.100 -0.277 0.000 0.765 50 P CB 0.634 32.171 31.700 -0.271 0.000 0.828 51 T N -1.579 112.975 114.554 0.001 0.000 2.906 51 T HA 0.291 4.641 4.350 -0.000 0.000 0.295 51 T C 0.822 175.099 174.700 -0.704 0.000 1.061 51 T CA -0.789 61.212 62.100 -0.165 0.000 1.000 51 T CB 1.917 70.734 68.868 -0.086 0.000 1.103 51 T HN 0.356 nan 8.240 nan 0.000 0.486 52 E N 1.403 120.884 120.200 -1.199 0.000 2.153 52 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 52 E C 2.030 178.192 176.600 -0.731 0.000 0.988 52 E CA 1.494 56.925 56.400 -1.615 0.000 0.811 52 E CB -0.638 28.231 29.700 -1.385 0.000 0.746 52 E HN 0.895 nan 8.360 nan 0.000 0.466 53 G N 1.104 109.639 108.800 -0.443 0.000 2.404 53 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 53 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 53 G C 1.577 176.353 174.900 -0.206 0.000 1.174 53 G CA 0.512 45.456 45.100 -0.261 0.000 0.780 53 G HN 0.211 nan 8.290 nan 0.000 0.537 54 I N 0.036 120.491 120.570 -0.191 0.000 2.394 54 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 54 I C 2.841 178.871 176.117 -0.145 0.000 1.136 54 I CA 0.269 61.483 61.300 -0.144 0.000 1.425 54 I CB -0.158 37.774 38.000 -0.113 0.000 1.079 54 I HN 0.300 nan 8.210 nan 0.000 0.425 55 c N 0.748 119.249 118.600 -0.165 0.000 2.413 55 c HA -0.231 4.339 4.570 -0.000 0.000 0.277 55 c C 3.208 177.241 174.090 -0.096 0.000 1.228 55 c CA 1.399 57.672 56.329 -0.093 0.000 1.731 55 c CB -0.996 41.526 42.510 0.020 0.000 2.042 55 c HN 0.589 nan 8.230 nan 0.000 0.468 56 A N -0.906 121.833 122.820 -0.136 0.000 1.908 56 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 56 A C 2.210 179.748 177.584 -0.076 0.000 1.181 56 A CA 1.943 53.919 52.037 -0.101 0.000 0.627 56 A CB -0.968 17.955 19.000 -0.128 0.000 0.818 56 A HN 0.822 nan 8.150 nan 0.000 0.445 57 Q N -0.672 119.074 119.800 -0.090 0.000 2.226 57 Q HA -0.123 4.216 4.340 -0.000 0.000 0.204 57 Q C 1.821 177.791 176.000 -0.050 0.000 0.975 57 Q CA 1.239 56.999 55.803 -0.071 0.000 0.866 57 Q CB -0.012 28.676 28.738 -0.084 0.000 0.915 57 Q HN 0.669 nan 8.270 nan 0.000 0.440 58 R N -1.400 119.070 120.500 -0.050 0.000 2.334 58 R HA 0.109 4.449 4.340 -0.000 0.000 0.216 58 R C 0.758 177.126 176.300 0.114 0.000 0.905 58 R CA 0.498 56.599 56.100 0.003 0.000 1.064 58 R CB 0.581 30.831 30.300 -0.083 0.000 1.046 58 R HN 0.335 nan 8.270 nan 0.000 0.508 59 G N 1.243 110.071 108.800 0.047 0.000 2.246 59 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.273 59 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.273 59 G C 0.081 175.041 174.900 0.101 0.000 1.055 59 G CA 0.076 45.213 45.100 0.062 0.000 0.851 59 G HN 0.331 nan 8.290 nan 0.000 0.500 60 c N -1.224 117.386 118.600 0.017 0.000 2.451 60 c HA 0.793 5.363 4.570 -0.000 0.000 0.391 60 c C 1.329 175.347 174.090 -0.119 0.000 1.286 60 c CA -0.352 55.939 56.329 -0.064 0.000 1.935 60 c CB 1.597 43.982 42.510 -0.208 0.000 2.188 60 c HN 0.904 nan 8.230 nan 0.000 0.523 61 c N 2.662 121.083 118.600 -0.299 0.000 2.347 61 c HA 0.516 5.086 4.570 -0.000 0.000 0.353 61 c C -0.261 173.619 174.090 -0.350 0.000 1.273 61 c CA -0.460 55.631 56.329 -0.396 0.000 1.861 61 c CB -0.964 41.105 42.510 -0.736 0.000 2.420 61 c HN 0.886 nan 8.230 nan 0.000 0.542 62 W N 8.091 129.225 121.300 -0.277 0.000 2.314 62 W HA 0.546 5.206 4.660 -0.000 0.000 0.310 62 W C -0.322 176.158 176.519 -0.064 0.000 1.075 62 W CA -0.612 56.646 57.345 -0.145 0.000 1.253 62 W CB 0.583 29.990 29.460 -0.089 0.000 1.238 62 W HN 0.793 nan 8.180 nan 0.000 0.440 63 R N 7.018 127.171 120.500 -0.579 0.000 3.190 63 R HA 0.218 4.557 4.340 -0.000 0.000 0.244 63 R C -2.655 173.375 176.300 -0.450 0.000 1.788 63 R CA -1.129 54.748 56.100 -0.371 0.000 1.160 63 R CB 1.458 31.777 30.300 0.033 0.000 1.494 63 R HN 0.183 nan 8.270 nan 0.000 0.499 64 P HA 0.113 nan 4.420 nan 0.000 0.274 64 P C -0.997 175.904 177.300 -0.666 0.000 1.260 64 P CA -0.301 62.097 63.100 -1.169 0.000 0.793 64 P CB 0.658 31.546 31.700 -1.354 0.000 1.048 65 W N 0.255 120.869 121.300 -1.144 0.000 3.047 65 W HA 0.178 4.838 4.660 -0.000 0.000 0.341 65 W C 0.765 177.137 176.519 -0.245 0.000 1.225 65 W CA -0.521 56.567 57.345 -0.429 0.000 1.150 65 W CB 1.709 31.089 29.460 -0.133 0.000 1.470 65 W HN 0.275 nan 8.180 nan 0.000 0.578 66 N N 1.157 119.402 118.700 -0.758 0.000 2.094 66 N HA -0.180 4.560 4.740 -0.000 0.000 0.191 66 N C 0.323 175.828 175.510 -0.008 0.000 1.023 66 N CA 2.281 55.088 53.050 -0.405 0.000 0.857 66 N CB -0.344 37.838 38.487 -0.508 0.000 1.013 66 N HN 0.591 nan 8.380 nan 0.000 0.426 67 D N -1.124 119.420 120.400 0.240 0.000 2.525 67 D HA 0.469 5.109 4.640 -0.000 0.000 0.249 67 D C 0.367 176.905 176.300 0.396 0.000 1.072 67 D CA -0.032 54.133 54.000 0.276 0.000 1.067 67 D CB 0.764 41.682 40.800 0.196 0.000 1.282 67 D HN 0.104 nan 8.370 nan 0.000 0.587 68 S N -1.169 114.634 115.700 0.171 0.000 2.602 68 S HA 0.207 4.677 4.470 -0.000 0.000 0.240 68 S C 1.271 175.738 174.600 -0.222 0.000 0.992 68 S CA -0.346 57.827 58.200 -0.045 0.000 0.971 68 S CB -0.323 62.835 63.200 -0.070 0.000 0.855 68 S HN 0.498 nan 8.310 nan 0.000 0.481 69 L N 0.240 121.310 121.223 -0.254 0.000 2.102 69 L HA 0.312 4.652 4.340 -0.000 0.000 0.202 69 L C 0.411 176.630 176.870 -1.085 0.000 1.076 69 L CA 0.525 55.023 54.840 -0.570 0.000 0.761 69 L CB -0.351 41.359 42.059 -0.582 0.000 0.921 69 L HN 0.311 nan 8.230 nan 0.000 0.444 70 I N 0.946 120.962 120.570 -0.922 0.000 2.618 70 I HA 0.046 4.216 4.170 -0.000 0.000 0.284 70 I C -2.031 173.775 176.117 -0.519 0.000 1.146 70 I CA -1.504 59.218 61.300 -0.964 0.000 1.425 70 I CB -0.045 37.459 38.000 -0.828 0.000 1.383 70 I HN -0.166 nan 8.210 nan 0.000 0.562 71 P HA -0.055 nan 4.420 nan 0.000 0.268 71 P C -0.334 177.002 177.300 0.060 0.000 1.204 71 P CA 0.004 62.977 63.100 -0.212 0.000 0.768 71 P CB 0.285 31.921 31.700 -0.107 0.000 0.842 72 W N 1.351 122.531 121.300 -0.199 0.000 2.872 72 W HA 0.203 4.863 4.660 -0.000 0.000 0.266 72 W C 0.432 176.800 176.519 -0.251 0.000 1.276 72 W CA -0.162 56.993 57.345 -0.316 0.000 1.471 72 W CB -0.611 28.497 29.460 -0.586 0.000 1.071 72 W HN 0.248 nan 8.180 nan 0.000 0.619 73 c N 2.678 121.381 118.600 0.171 0.000 2.322 73 c HA 0.703 5.273 4.570 -0.000 0.000 0.324 73 c C -0.610 173.510 174.090 0.051 0.000 1.249 73 c CA -0.932 55.468 56.329 0.117 0.000 1.453 73 c CB -1.437 41.197 42.510 0.206 0.000 2.145 73 c HN 0.094 nan 8.230 nan 0.000 0.466 74 F N 3.139 123.005 119.950 -0.140 0.000 2.588 74 F HA 0.768 5.295 4.527 -0.000 0.000 0.310 74 F C -0.897 174.805 175.800 -0.164 0.000 1.082 74 F CA -1.519 56.358 58.000 -0.205 0.000 0.929 74 F CB 0.535 39.493 39.000 -0.069 0.000 1.254 74 F HN 0.448 nan 8.300 nan 0.000 0.455 75 F N 1.788 121.805 119.950 0.112 0.000 2.506 75 F HA 0.416 4.943 4.527 -0.000 0.000 0.371 75 F C 0.884 176.782 175.800 0.164 0.000 1.078 75 F CA -0.732 57.312 58.000 0.073 0.000 1.195 75 F CB 0.214 39.253 39.000 0.064 0.000 1.099 75 F HN 0.384 nan 8.300 nan 0.000 0.548 76 V N 1.105 121.180 119.914 0.270 0.000 2.418 76 V HA 0.012 4.132 4.120 -0.000 0.000 0.208 76 V C 1.239 177.464 176.094 0.219 0.000 1.093 76 V CA 1.350 63.810 62.300 0.266 0.000 1.139 76 V CB -0.783 31.145 31.823 0.174 0.000 0.720 76 V HN 0.800 nan 8.190 nan 0.000 0.483 77 D N -0.039 120.454 120.400 0.155 0.000 3.010 77 D HA 0.321 4.961 4.640 -0.000 0.000 0.347 77 D C 0.565 176.938 176.300 0.121 0.000 1.340 77 D CA -0.120 53.952 54.000 0.120 0.000 0.858 77 D CB -0.747 40.096 40.800 0.073 0.000 1.111 77 D HN 0.482 nan 8.370 nan 0.000 0.482 78 N N -0.762 118.058 118.700 0.201 0.000 2.348 78 N HA 0.059 4.799 4.740 -0.000 0.000 0.183 78 N C -0.344 175.237 175.510 0.119 0.000 1.094 78 N CA 0.243 53.395 53.050 0.169 0.000 0.885 78 N CB 0.692 39.309 38.487 0.217 0.000 1.065 78 N HN 0.459 nan 8.380 nan 0.000 0.472 79 H N -0.541 118.580 119.070 0.086 0.000 2.651 79 H HA 0.729 5.285 4.556 -0.000 0.000 0.353 79 H C 0.705 176.028 175.328 -0.009 0.000 1.178 79 H CA 0.173 56.237 56.048 0.027 0.000 1.224 79 H CB 1.995 31.770 29.762 0.022 0.000 1.702 79 H HN 0.208 nan 8.280 nan 0.000 0.550 80 G N -0.418 108.451 108.800 0.115 0.000 2.350 80 G HA2 0.144 4.104 3.960 -0.000 0.000 0.282 80 G HA3 0.144 4.104 3.960 -0.000 0.000 0.282 80 G C -2.194 172.776 174.900 0.118 0.000 1.314 80 G CA -0.903 44.309 45.100 0.187 0.000 0.915 80 G HN 0.383 nan 8.290 nan 0.000 0.499 81 Y N 0.147 120.493 120.300 0.077 0.000 2.576 81 Y HA 0.682 5.232 4.550 -0.000 0.000 0.346 81 Y C 0.179 176.117 175.900 0.062 0.000 1.018 81 Y CA -1.114 57.011 58.100 0.041 0.000 1.050 81 Y CB 2.404 40.854 38.460 -0.017 0.000 1.280 81 Y HN 0.526 nan 8.280 nan 0.000 0.474 82 N N 0.406 119.202 118.700 0.160 0.000 2.370 82 N HA 0.439 5.178 4.740 -0.000 0.000 0.303 82 N C -1.308 174.255 175.510 0.088 0.000 1.103 82 N CA -0.661 52.457 53.050 0.114 0.000 0.848 82 N CB 2.564 41.082 38.487 0.051 0.000 1.235 82 N HN 0.468 nan 8.380 nan 0.000 0.496 83 V N -0.159 119.804 119.914 0.081 0.000 2.530 83 V HA 0.629 4.749 4.120 -0.000 0.000 0.282 83 V C -0.163 175.952 176.094 0.034 0.000 1.048 83 V CA -0.074 62.252 62.300 0.043 0.000 0.997 83 V CB 0.242 32.103 31.823 0.064 0.000 0.987 83 V HN 0.720 nan 8.190 nan 0.000 0.477 84 Q N 2.744 122.558 119.800 0.023 0.000 2.320 84 Q HA 0.580 4.920 4.340 -0.000 0.000 0.268 84 Q C 0.065 176.076 176.000 0.019 0.000 1.023 84 Q CA 0.536 56.351 55.803 0.020 0.000 0.744 84 Q CB 0.678 29.425 28.738 0.014 0.000 1.246 84 Q HN 2.672 nan 8.270 nan 0.000 0.462 85 D N 0.783 121.197 120.400 0.022 0.000 7.496 85 D HA 0.247 4.887 4.640 -0.000 0.000 0.252 85 D C 0.048 176.369 176.300 0.036 0.000 2.088 85 D CA 0.898 54.913 54.000 0.025 0.000 1.915 85 D CB -1.863 38.948 40.800 0.018 0.000 0.793 85 D HN 2.205 nan 8.370 nan 0.000 0.499 86 M N 0.474 120.101 119.600 0.045 0.000 2.386 86 M HA 0.831 5.311 4.480 -0.000 0.000 0.293 86 M C 0.032 176.365 176.300 0.056 0.000 1.120 86 M CA 0.060 55.399 55.300 0.064 0.000 0.909 86 M CB 2.514 35.171 32.600 0.095 0.000 1.661 86 M HN 1.144 nan 8.290 nan 0.000 0.452 87 T N -0.811 113.777 114.554 0.057 0.000 2.927 87 T HA 0.760 5.110 4.350 -0.000 0.000 0.286 87 T C -0.371 174.361 174.700 0.053 0.000 1.040 87 T CA -0.662 61.465 62.100 0.045 0.000 1.010 87 T CB 1.832 70.718 68.868 0.031 0.000 1.177 87 T HN 0.727 nan 8.240 nan 0.000 0.546 88 T N 2.140 116.720 114.554 0.044 0.000 2.829 88 T HA 0.639 4.989 4.350 -0.000 0.000 0.282 88 T C 0.522 175.244 174.700 0.037 0.000 0.990 88 T CA -0.635 61.493 62.100 0.047 0.000 1.028 88 T CB 1.238 70.132 68.868 0.043 0.000 0.951 88 T HN 1.019 nan 8.240 nan 0.000 0.460 89 T N -1.297 113.281 114.554 0.040 0.000 2.922 89 T HA 0.400 4.749 4.350 -0.000 0.000 0.281 89 T C 1.729 176.453 174.700 0.041 0.000 1.005 89 T CA -0.243 61.876 62.100 0.031 0.000 0.982 89 T CB 0.967 69.849 68.868 0.023 0.000 1.158 89 T HN 0.412 nan 8.240 nan 0.000 0.566 90 S N 0.274 115.994 115.700 0.033 0.000 2.399 90 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 90 S C 1.779 176.422 174.600 0.072 0.000 1.022 90 S CA 1.137 59.361 58.200 0.039 0.000 0.983 90 S CB -0.879 62.332 63.200 0.019 0.000 0.803 90 S HN 0.646 nan 8.310 nan 0.000 0.480 91 I N 1.038 121.663 120.570 0.091 0.000 2.867 91 I HA 0.402 4.572 4.170 -0.000 0.000 0.265 91 I C 1.656 177.867 176.117 0.158 0.000 1.162 91 I CA 0.747 62.145 61.300 0.164 0.000 1.471 91 I CB -0.214 37.907 38.000 0.203 0.000 1.123 91 I HN 0.528 nan 8.210 nan 0.000 0.440 92 G N -0.439 108.429 108.800 0.113 0.000 2.825 92 G HA2 0.470 4.430 3.960 -0.000 0.000 0.100 92 G HA3 0.470 4.430 3.960 -0.000 0.000 0.100 92 G C -1.379 173.577 174.900 0.093 0.000 1.195 92 G CA -0.133 45.042 45.100 0.124 0.000 1.317 92 G HN -0.200 nan 8.290 nan 0.000 0.632 93 V N 0.979 120.939 119.914 0.077 0.000 2.733 93 V HA 0.756 4.876 4.120 -0.000 0.000 0.306 93 V C -0.318 175.792 176.094 0.028 0.000 1.084 93 V CA 0.022 62.373 62.300 0.085 0.000 0.905 93 V CB 1.014 32.938 31.823 0.170 0.000 1.010 93 V HN 1.264 nan 8.190 nan 0.000 0.424 94 E N 2.015 122.241 120.200 0.043 0.000 2.191 94 E HA 0.905 5.255 4.350 -0.000 0.000 0.274 94 E C -0.353 176.307 176.600 0.101 0.000 0.948 94 E CA -0.353 56.064 56.400 0.027 0.000 0.802 94 E CB 2.125 31.826 29.700 0.001 0.000 1.137 94 E HN 1.679 nan 8.360 nan 0.000 0.397 95 A N 0.711 123.612 122.820 0.135 0.000 2.459 95 A HA 0.789 5.108 4.320 -0.000 0.000 0.296 95 A C -0.107 177.508 177.584 0.051 0.000 1.039 95 A CA -0.124 51.994 52.037 0.135 0.000 0.698 95 A CB 0.966 20.110 19.000 0.240 0.000 1.261 95 A HN 1.248 nan 8.150 nan 0.000 0.405 96 K N 2.176 122.585 120.400 0.015 0.000 2.258 96 K HA 0.720 5.040 4.320 -0.000 0.000 0.284 96 K C -0.726 175.854 176.600 -0.033 0.000 1.051 96 K CA -0.146 56.131 56.287 -0.016 0.000 0.923 96 K CB 0.300 32.798 32.500 -0.003 0.000 1.046 96 K HN 0.726 nan 8.250 nan 0.000 0.474 97 L N 2.183 123.369 121.223 -0.062 0.000 2.334 97 L HA 0.489 4.828 4.340 -0.000 0.000 0.276 97 L C -0.064 176.877 176.870 0.120 0.000 1.014 97 L CA -1.003 53.818 54.840 -0.031 0.000 0.815 97 L CB 2.255 44.179 42.059 -0.226 0.000 1.268 97 L HN 0.847 nan 8.230 nan 0.000 0.428 98 N N 0.390 119.180 118.700 0.151 0.000 2.314 98 N HA 0.530 5.269 4.740 -0.000 0.000 0.294 98 N C -0.385 175.061 175.510 -0.107 0.000 1.029 98 N CA -0.756 52.340 53.050 0.078 0.000 0.845 98 N CB 1.600 40.093 38.487 0.009 0.000 1.321 98 N HN 0.655 nan 8.380 nan 0.000 0.481 99 R N 2.205 122.469 120.500 -0.394 0.000 2.404 99 R HA 0.154 4.494 4.340 -0.000 0.000 0.315 99 R C 0.132 176.194 176.300 -0.397 0.000 1.032 99 R CA 0.038 55.631 56.100 -0.845 0.000 0.992 99 R CB -1.135 28.745 30.300 -0.700 0.000 0.959 99 R HN 0.594 nan 8.270 nan 0.000 0.428 100 I N 4.730 125.096 120.570 -0.340 0.000 2.668 100 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 100 I C -1.367 174.625 176.117 -0.209 0.000 1.168 100 I CA -1.227 59.958 61.300 -0.192 0.000 1.424 100 I CB 1.333 39.255 38.000 -0.130 0.000 1.377 100 I HN 0.567 nan 8.210 nan 0.000 0.560 101 P HA 0.072 nan 4.420 nan 0.000 0.218 101 P C -0.194 177.013 177.300 -0.155 0.000 1.793 101 P CA -0.347 62.668 63.100 -0.141 0.000 0.941 101 P CB -0.394 31.249 31.700 -0.095 0.000 1.919 102 S N 0.832 116.388 115.700 -0.241 0.000 2.634 102 S HA 0.516 4.986 4.470 -0.000 0.000 0.261 102 S C -2.045 172.434 174.600 -0.203 0.000 1.271 102 S CA -1.060 56.950 58.200 -0.316 0.000 0.985 102 S CB -0.884 61.854 63.200 -0.771 0.000 0.968 102 S HN 0.067 nan 8.310 nan 0.000 0.568 103 P HA 0.267 nan 4.420 nan 0.000 0.272 103 P C 0.021 177.356 177.300 0.059 0.000 1.240 103 P CA -0.399 62.689 63.100 -0.020 0.000 0.791 103 P CB 0.030 31.733 31.700 0.006 0.000 0.978 104 T N 0.170 114.753 114.554 0.048 0.000 2.860 104 T HA 0.150 4.499 4.350 -0.000 0.000 0.299 104 T C 1.067 175.781 174.700 0.022 0.000 1.045 104 T CA -0.107 62.035 62.100 0.070 0.000 1.071 104 T CB 0.008 68.904 68.868 0.048 0.000 0.985 104 T HN 0.126 nan 8.240 nan 0.000 0.537 105 L N 1.957 123.168 121.223 -0.020 0.000 2.296 105 L HA 0.426 4.766 4.340 -0.000 0.000 0.193 105 L C 1.026 177.524 176.870 -0.619 0.000 1.123 105 L CA 1.244 55.870 54.840 -0.357 0.000 0.805 105 L CB -0.060 41.795 42.059 -0.340 0.000 1.004 105 L HN 0.715 nan 8.230 nan 0.000 0.478 106 F N -0.262 119.678 119.950 -0.016 0.000 2.735 106 F HA 0.554 5.081 4.527 -0.000 0.000 0.304 106 F C 0.912 176.752 175.800 0.066 0.000 1.119 106 F CA -0.068 57.940 58.000 0.013 0.000 1.280 106 F CB -0.031 38.973 39.000 0.007 0.000 0.994 106 F HN 0.114 nan 8.300 nan 0.000 0.520 107 G N 0.828 109.727 108.800 0.165 0.000 2.814 107 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.677 107 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.677 107 G C -0.031 174.969 174.900 0.166 0.000 1.429 107 G CA -0.432 44.751 45.100 0.138 0.000 0.868 107 G HN 0.538 nan 8.290 nan 0.000 0.553 108 N N -0.294 118.485 118.700 0.131 0.000 2.727 108 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 108 N C -0.131 175.480 175.510 0.168 0.000 1.040 108 N CA 1.363 54.493 53.050 0.133 0.000 0.712 108 N CB -0.784 37.779 38.487 0.127 0.000 0.912 108 N HN 0.917 nan 8.380 nan 0.000 0.545 109 D N 0.134 120.636 120.400 0.169 0.000 2.363 109 D HA 0.356 4.996 4.640 -0.000 0.000 0.240 109 D C 0.506 176.933 176.300 0.211 0.000 1.236 109 D CA 0.320 54.447 54.000 0.212 0.000 0.927 109 D CB 0.835 41.744 40.800 0.182 0.000 1.150 109 D HN 0.203 nan 8.370 nan 0.000 0.458 110 I N 1.989 122.732 120.570 0.287 0.000 2.382 110 I HA 0.158 4.328 4.170 -0.000 0.000 0.285 110 I C 0.868 177.139 176.117 0.258 0.000 1.007 110 I CA -0.478 60.975 61.300 0.256 0.000 1.142 110 I CB 1.258 39.445 38.000 0.311 0.000 1.289 110 I HN 0.302 nan 8.210 nan 0.000 0.453 111 N N 2.509 121.299 118.700 0.150 0.000 2.270 111 N HA -0.068 4.672 4.740 -0.000 0.000 0.181 111 N C 0.512 176.100 175.510 0.130 0.000 1.016 111 N CA 0.838 53.942 53.050 0.090 0.000 0.870 111 N CB 0.319 38.825 38.487 0.032 0.000 0.979 111 N HN 0.390 nan 8.380 nan 0.000 0.431 112 S N 0.846 116.615 115.700 0.115 0.000 2.640 112 S HA 0.486 4.956 4.470 -0.000 0.000 0.320 112 S C -0.691 173.924 174.600 0.024 0.000 1.097 112 S CA -0.512 57.730 58.200 0.070 0.000 1.092 112 S CB 0.839 64.061 63.200 0.036 0.000 0.988 112 S HN -0.173 nan 8.310 nan 0.000 0.470 113 V N 4.885 124.785 119.914 -0.024 0.000 2.876 113 V HA 0.637 4.757 4.120 -0.000 0.000 0.312 113 V C -0.932 175.045 176.094 -0.195 0.000 1.085 113 V CA -0.914 61.263 62.300 -0.204 0.000 0.945 113 V CB 2.055 33.611 31.823 -0.446 0.000 1.017 113 V HN 0.730 nan 8.190 nan 0.000 0.428 114 L N 3.931 125.029 121.223 -0.209 0.000 2.325 114 L HA 0.667 5.006 4.340 -0.000 0.000 0.281 114 L C -1.147 175.667 176.870 -0.094 0.000 1.004 114 L CA -0.123 54.644 54.840 -0.123 0.000 0.823 114 L CB 1.227 43.234 42.059 -0.088 0.000 1.236 114 L HN 0.572 nan 8.230 nan 0.000 0.415 115 F N 4.353 124.174 119.950 -0.216 0.000 2.415 115 F HA 0.745 5.272 4.527 -0.000 0.000 0.348 115 F C -0.477 175.293 175.800 -0.050 0.000 1.119 115 F CA -0.003 57.901 58.000 -0.160 0.000 1.069 115 F CB 1.335 40.171 39.000 -0.274 0.000 1.124 115 F HN 0.574 nan 8.300 nan 0.000 0.472 116 T N 4.312 118.448 114.554 -0.698 0.000 2.881 116 T HA 0.406 4.755 4.350 -0.000 0.000 0.290 116 T C -0.641 173.664 174.700 -0.659 0.000 1.000 116 T CA -0.619 61.158 62.100 -0.537 0.000 0.978 116 T CB 1.606 70.311 68.868 -0.271 0.000 0.997 116 T HN 0.573 nan 8.240 nan 0.000 0.443 117 T N 3.528 117.823 114.554 -0.432 0.000 2.855 117 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 117 T C -0.756 173.877 174.700 -0.112 0.000 1.007 117 T CA -0.677 61.287 62.100 -0.227 0.000 1.009 117 T CB 1.198 70.112 68.868 0.077 0.000 0.983 117 T HN 0.496 nan 8.240 nan 0.000 0.455 118 Q N 2.670 122.361 119.800 -0.183 0.000 2.275 118 Q HA 0.314 4.654 4.340 -0.000 0.000 0.266 118 Q C -0.872 175.099 176.000 -0.049 0.000 1.002 118 Q CA -0.835 54.921 55.803 -0.079 0.000 0.761 118 Q CB 1.372 30.026 28.738 -0.140 0.000 1.255 118 Q HN 0.463 nan 8.270 nan 0.000 0.446 119 N N 3.300 122.099 118.700 0.164 0.000 2.605 119 N HA 0.012 4.752 4.740 -0.000 0.000 0.258 119 N C 0.426 175.957 175.510 0.034 0.000 1.156 119 N CA 0.324 53.542 53.050 0.280 0.000 1.008 119 N CB 0.798 39.494 38.487 0.348 0.000 1.354 119 N HN 0.606 nan 8.380 nan 0.000 0.509 120 Q N 0.001 119.660 119.800 -0.235 0.000 2.020 120 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 120 Q C 0.858 176.692 176.000 -0.276 0.000 0.974 120 Q CA 1.044 56.396 55.803 -0.751 0.000 0.829 120 Q CB 0.200 28.480 28.738 -0.763 0.000 0.894 120 Q HN 0.621 nan 8.270 nan 0.000 0.433 121 T N -3.690 110.852 114.554 -0.019 0.000 2.812 121 T HA 0.283 4.633 4.350 -0.000 0.000 0.294 121 T C -2.564 172.237 174.700 0.167 0.000 1.159 121 T CA -1.919 60.223 62.100 0.070 0.000 1.008 121 T CB 1.674 70.568 68.868 0.042 0.000 1.289 121 T HN -0.270 nan 8.240 nan 0.000 0.514 122 P HA 0.117 nan 4.420 nan 0.000 0.228 122 P C 0.796 178.193 177.300 0.162 0.000 1.151 122 P CA 0.738 63.866 63.100 0.047 0.000 0.770 122 P CB 0.060 31.765 31.700 0.007 0.000 0.786 123 N N -0.983 117.851 118.700 0.224 0.000 2.332 123 N HA 0.070 4.810 4.740 -0.000 0.000 0.190 123 N C 0.529 176.178 175.510 0.232 0.000 1.117 123 N CA 0.075 53.259 53.050 0.224 0.000 0.883 123 N CB 0.835 39.390 38.487 0.113 0.000 1.089 123 N HN 0.227 nan 8.380 nan 0.000 0.480 124 R N 0.038 120.657 120.500 0.199 0.000 2.561 124 R HA 0.375 4.714 4.340 -0.000 0.000 0.297 124 R C -1.454 174.811 176.300 -0.059 0.000 0.969 124 R CA -0.640 55.495 56.100 0.059 0.000 0.879 124 R CB 0.951 31.276 30.300 0.042 0.000 1.178 124 R HN -0.205 nan 8.270 nan 0.000 0.445 125 F N 2.865 122.516 119.950 -0.499 0.000 2.458 125 F HA 0.594 5.121 4.527 -0.000 0.000 0.330 125 F C -0.705 174.911 175.800 -0.306 0.000 1.082 125 F CA -1.102 56.540 58.000 -0.596 0.000 0.995 125 F CB 1.653 40.023 39.000 -1.049 0.000 1.170 125 F HN 0.614 nan 8.300 nan 0.000 0.478 126 R N 6.477 126.139 120.500 -1.396 0.000 2.574 126 R HA 0.447 4.787 4.340 -0.000 0.000 0.288 126 R C -2.111 173.413 176.300 -1.293 0.000 1.004 126 R CA -0.569 54.781 56.100 -1.251 0.000 0.895 126 R CB 1.464 31.157 30.300 -1.011 0.000 1.191 126 R HN 0.742 nan 8.270 nan 0.000 0.444 127 F N 2.116 121.458 119.950 -1.013 0.000 2.577 127 F HA 0.688 5.215 4.527 -0.000 0.000 0.318 127 F C -1.364 174.211 175.800 -0.376 0.000 1.065 127 F CA -0.881 56.744 58.000 -0.625 0.000 0.929 127 F CB 1.530 40.383 39.000 -0.244 0.000 1.237 127 F HN 0.473 nan 8.300 nan 0.000 0.468 128 K N 2.843 123.116 120.400 -0.211 0.000 2.532 128 K HA 0.771 5.091 4.320 -0.000 0.000 0.265 128 K C -2.094 174.514 176.600 0.013 0.000 0.948 128 K CA -0.878 55.320 56.287 -0.148 0.000 0.842 128 K CB 2.752 35.100 32.500 -0.253 0.000 1.392 128 K HN 0.854 nan 8.250 nan 0.000 0.436 129 I N 2.316 122.936 120.570 0.084 0.000 2.439 129 I HA 0.287 4.456 4.170 -0.000 0.000 0.285 129 I C -0.655 175.408 176.117 -0.089 0.000 1.021 129 I CA -0.487 60.825 61.300 0.019 0.000 1.091 129 I CB 2.228 40.289 38.000 0.102 0.000 1.242 129 I HN 0.925 nan 8.210 nan 0.000 0.439 130 T N 0.185 114.618 114.554 -0.202 0.000 2.907 130 T HA 0.408 4.757 4.350 -0.000 0.000 0.290 130 T C -0.823 173.748 174.700 -0.215 0.000 1.066 130 T CA -0.851 61.171 62.100 -0.130 0.000 1.012 130 T CB 2.333 71.168 68.868 -0.054 0.000 1.184 130 T HN 0.300 nan 8.240 nan 0.000 0.522 131 D N 1.491 121.859 120.400 -0.053 0.000 2.339 131 D HA 0.381 5.021 4.640 -0.000 0.000 0.241 131 D C -1.533 174.761 176.300 -0.009 0.000 1.183 131 D CA -2.353 51.638 54.000 -0.015 0.000 0.859 131 D CB 1.548 42.411 40.800 0.104 0.000 1.067 131 D HN 0.187 nan 8.370 nan 0.000 0.484 132 P HA -0.024 nan 4.420 nan 0.000 0.217 132 P C 0.344 177.647 177.300 0.004 0.000 1.151 132 P CA 0.681 63.772 63.100 -0.016 0.000 0.828 132 P CB 0.308 31.995 31.700 -0.021 0.000 0.788 133 N N -0.014 118.695 118.700 0.016 0.000 2.346 133 N HA 0.071 4.811 4.740 -0.000 0.000 0.225 133 N C -0.176 175.356 175.510 0.036 0.000 1.144 133 N CA 0.271 53.335 53.050 0.024 0.000 0.837 133 N CB -0.419 38.085 38.487 0.027 0.000 1.069 133 N HN 0.193 nan 8.380 nan 0.000 0.487 134 N N -0.462 118.261 118.700 0.039 0.000 3.126 134 N HA 0.078 4.818 4.740 -0.000 0.000 0.233 134 N C -1.060 174.483 175.510 0.054 0.000 1.069 134 N CA -0.366 52.714 53.050 0.051 0.000 1.071 134 N CB 0.622 39.150 38.487 0.068 0.000 1.683 134 N HN 0.064 nan 8.380 nan 0.000 0.586 135 R N 2.883 123.414 120.500 0.050 0.000 2.309 135 R HA 0.460 4.800 4.340 -0.000 0.000 0.331 135 R C 0.271 176.618 176.300 0.078 0.000 1.116 135 R CA -0.134 55.996 56.100 0.050 0.000 0.970 135 R CB -0.786 29.537 30.300 0.038 0.000 1.024 135 R HN 0.624 nan 8.270 nan 0.000 0.472 136 R N 1.166 121.721 120.500 0.093 0.000 2.637 136 R HA 0.183 4.523 4.340 -0.000 0.000 0.269 136 R C -0.178 176.203 176.300 0.134 0.000 1.089 136 R CA -0.604 55.576 56.100 0.133 0.000 1.177 136 R CB 0.493 30.889 30.300 0.160 0.000 1.091 136 R HN 0.722 nan 8.270 nan 0.000 0.540 137 Y N 1.545 121.882 120.300 0.062 0.000 2.620 137 Y HA -0.070 4.480 4.550 -0.000 0.000 0.330 137 Y C -0.454 175.460 175.900 0.024 0.000 1.186 137 Y CA 0.618 58.747 58.100 0.048 0.000 1.467 137 Y CB 0.462 38.965 38.460 0.071 0.000 1.262 137 Y HN 0.419 nan 8.280 nan 0.000 0.550 138 E N 5.103 124.895 120.200 -0.681 0.000 2.234 138 E HA 0.297 4.647 4.350 -0.000 0.000 0.266 138 E C -1.105 174.921 176.600 -0.956 0.000 0.877 138 E CA -1.195 54.814 56.400 -0.651 0.000 0.758 138 E CB 2.241 31.760 29.700 -0.302 0.000 1.170 138 E HN 0.468 nan 8.360 nan 0.000 0.415 139 V N 4.802 124.263 119.914 -0.756 0.000 2.506 139 V HA -0.015 4.104 4.120 -0.000 0.000 0.296 139 V C -1.667 174.223 176.094 -0.340 0.000 1.004 139 V CA -0.410 61.594 62.300 -0.493 0.000 1.150 139 V CB -0.375 31.358 31.823 -0.151 0.000 0.911 139 V HN 0.578 nan 8.190 nan 0.000 0.476 140 P HA 0.133 nan 4.420 nan 0.000 0.219 140 P C 0.121 177.152 177.300 -0.448 0.000 1.832 140 P CA -0.287 62.537 63.100 -0.460 0.000 1.014 140 P CB -0.047 31.214 31.700 -0.733 0.000 1.939 141 H N 2.360 121.297 119.070 -0.221 0.000 2.929 141 H HA 0.028 4.584 4.556 -0.000 0.000 0.358 141 H C 0.900 176.244 175.328 0.027 0.000 1.111 141 H CA 0.747 56.780 56.048 -0.024 0.000 1.409 141 H CB 1.047 30.843 29.762 0.057 0.000 1.373 141 H HN 0.224 nan 8.280 nan 0.000 0.610 142 Q N 3.254 123.125 119.800 0.118 0.000 2.356 142 Q HA -0.047 4.293 4.340 -0.000 0.000 0.205 142 Q C 0.613 176.807 176.000 0.324 0.000 0.901 142 Q CA 0.455 56.366 55.803 0.180 0.000 0.938 142 Q CB 0.384 29.186 28.738 0.106 0.000 1.081 142 Q HN 0.707 nan 8.270 nan 0.000 0.517 143 Y N -0.795 119.768 120.300 0.438 0.000 2.769 143 Y HA 0.166 4.715 4.550 -0.000 0.000 0.266 143 Y C 0.495 176.455 175.900 0.101 0.000 1.091 143 Y CA -0.107 58.137 58.100 0.239 0.000 1.272 143 Y CB 0.664 39.255 38.460 0.219 0.000 1.469 143 Y HN -0.330 nan 8.280 nan 0.000 0.475 144 V N 4.319 124.381 119.914 0.248 0.000 2.536 144 V HA 0.042 4.161 4.120 -0.000 0.000 0.287 144 V C 0.405 176.483 176.094 -0.028 0.000 0.979 144 V CA 1.056 63.343 62.300 -0.023 0.000 1.161 144 V CB -1.239 30.449 31.823 -0.226 0.000 0.915 144 V HN 0.327 nan 8.190 nan 0.000 0.467 145 K N 3.697 124.049 120.400 -0.080 0.000 2.185 145 K HA 0.651 4.970 4.320 -0.000 0.000 0.271 145 K C 0.476 177.085 176.600 0.015 0.000 1.013 145 K CA 0.080 56.331 56.287 -0.061 0.000 0.943 145 K CB 0.252 32.690 32.500 -0.104 0.000 0.998 145 K HN 1.051 nan 8.250 nan 0.000 0.468 146 E N 0.751 120.958 120.200 0.011 0.000 2.413 146 E HA 0.479 4.829 4.350 -0.000 0.000 0.263 146 E C -0.675 175.981 176.600 0.093 0.000 1.015 146 E CA -0.269 56.155 56.400 0.040 0.000 0.916 146 E CB 0.182 29.880 29.700 -0.004 0.000 0.947 146 E HN 0.730 nan 8.360 nan 0.000 0.440 147 F N 1.972 121.900 119.950 -0.036 0.000 2.443 147 F HA 0.531 5.058 4.527 -0.000 0.000 0.335 147 F C 1.267 177.047 175.800 -0.033 0.000 1.104 147 F CA 0.278 58.260 58.000 -0.029 0.000 1.013 147 F CB 2.615 41.606 39.000 -0.016 0.000 1.136 147 F HN 0.438 nan 8.300 nan 0.000 0.470 148 T N 0.581 114.684 114.554 -0.751 0.000 3.029 148 T HA 0.612 4.962 4.350 -0.000 0.000 0.256 148 T C 0.368 174.678 174.700 -0.651 0.000 0.914 148 T CA 0.149 61.946 62.100 -0.505 0.000 0.880 148 T CB 0.162 68.872 68.868 -0.262 0.000 1.246 148 T HN 1.012 nan 8.240 nan 0.000 0.523 149 G N 1.853 110.000 108.800 -1.089 0.000 2.320 149 G HA2 0.536 4.495 3.960 -0.000 0.000 0.296 149 G HA3 0.536 4.495 3.960 -0.000 0.000 0.296 149 G C -3.191 171.418 174.900 -0.485 0.000 1.306 149 G CA -0.725 43.994 45.100 -0.634 0.000 0.836 149 G HN 0.194 nan 8.290 nan 0.000 0.517 150 P HA 0.548 nan 4.420 nan 0.000 0.278 150 P C 0.209 177.559 177.300 0.082 0.000 1.258 150 P CA 0.168 63.243 63.100 -0.042 0.000 0.811 150 P CB 0.365 32.063 31.700 -0.003 0.000 1.063 151 T N 0.567 115.164 114.554 0.072 0.000 2.829 151 T HA 0.261 4.611 4.350 -0.000 0.000 0.293 151 T C 0.327 175.098 174.700 0.118 0.000 0.970 151 T CA -0.041 62.132 62.100 0.121 0.000 1.168 151 T CB -0.405 68.508 68.868 0.074 0.000 0.911 151 T HN 0.162 nan 8.240 nan 0.000 0.535 152 V N 4.527 124.531 119.914 0.150 0.000 2.461 152 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 152 V C 0.786 176.910 176.094 0.050 0.000 1.047 152 V CA -0.334 62.025 62.300 0.097 0.000 0.955 152 V CB 1.021 32.907 31.823 0.106 0.000 0.988 152 V HN 1.135 nan 8.190 nan 0.000 0.471 153 S N 3.051 118.764 115.700 0.022 0.000 2.578 153 S HA 0.640 5.110 4.470 -0.000 0.000 0.301 153 S C -0.727 173.854 174.600 -0.032 0.000 1.091 153 S CA -0.678 57.518 58.200 -0.006 0.000 1.032 153 S CB 1.608 64.809 63.200 0.002 0.000 1.064 153 S HN 0.721 nan 8.310 nan 0.000 0.508 154 D N 0.578 120.942 120.400 -0.060 0.000 3.515 154 D HA -0.094 4.546 4.640 -0.000 0.000 0.247 154 D C -0.017 176.207 176.300 -0.126 0.000 1.084 154 D CA 1.481 55.433 54.000 -0.080 0.000 1.030 154 D CB -1.353 39.419 40.800 -0.047 0.000 0.946 154 D HN 0.958 nan 8.370 nan 0.000 0.420 155 T N -2.129 112.285 114.554 -0.233 0.000 2.945 155 T HA 0.672 5.022 4.350 -0.000 0.000 0.286 155 T C 1.675 176.150 174.700 -0.374 0.000 1.025 155 T CA -1.074 60.778 62.100 -0.414 0.000 1.039 155 T CB 1.331 69.659 68.868 -0.900 0.000 1.068 155 T HN 0.160 nan 8.240 nan 0.000 0.497 156 L N 0.092 121.132 121.223 -0.304 0.000 2.418 156 L HA 0.187 4.527 4.340 -0.000 0.000 0.218 156 L C 0.618 177.446 176.870 -0.070 0.000 1.125 156 L CA 0.127 54.900 54.840 -0.111 0.000 0.835 156 L CB -0.575 41.493 42.059 0.015 0.000 0.953 156 L HN 0.719 nan 8.230 nan 0.000 0.454 157 Y N -2.312 117.967 120.300 -0.036 0.000 2.565 157 Y HA 0.711 5.261 4.550 -0.000 0.000 0.325 157 Y C -0.681 175.150 175.900 -0.115 0.000 1.221 157 Y CA -1.723 56.327 58.100 -0.084 0.000 1.316 157 Y CB 0.621 39.018 38.460 -0.105 0.000 1.404 157 Y HN -0.262 nan 8.280 nan 0.000 0.527 158 D N -0.141 120.301 120.400 0.071 0.000 2.738 158 D HA 0.379 5.019 4.640 -0.000 0.000 0.218 158 D C -1.909 174.331 176.300 -0.100 0.000 1.345 158 D CA -0.351 53.626 54.000 -0.038 0.000 0.943 158 D CB 2.100 42.867 40.800 -0.054 0.000 1.514 158 D HN 0.524 nan 8.370 nan 0.000 0.585 159 V N 2.616 122.451 119.914 -0.132 0.000 2.275 159 V HA 0.648 4.768 4.120 -0.000 0.000 0.272 159 V C 0.696 176.725 176.094 -0.110 0.000 1.028 159 V CA -0.794 61.377 62.300 -0.214 0.000 0.810 159 V CB 0.573 32.179 31.823 -0.362 0.000 1.043 159 V HN 0.568 nan 8.190 nan 0.000 0.453 160 K N 3.060 123.392 120.400 -0.112 0.000 2.205 160 K HA 0.742 5.062 4.320 -0.000 0.000 0.279 160 K C -0.586 175.943 176.600 -0.118 0.000 1.027 160 K CA -0.402 55.831 56.287 -0.090 0.000 0.932 160 K CB 1.654 34.102 32.500 -0.088 0.000 1.032 160 K HN 0.510 nan 8.250 nan 0.000 0.466 161 V N 2.250 122.108 119.914 -0.093 0.000 2.357 161 V HA 0.526 4.646 4.120 -0.000 0.000 0.281 161 V C 0.499 176.515 176.094 -0.131 0.000 1.015 161 V CA -1.264 60.951 62.300 -0.141 0.000 0.827 161 V CB 0.648 32.451 31.823 -0.033 0.000 1.018 161 V HN 1.133 nan 8.190 nan 0.000 0.432 162 A N 3.883 126.582 122.820 -0.202 0.000 2.466 162 A HA 0.358 4.678 4.320 -0.000 0.000 0.238 162 A C 0.994 178.526 177.584 -0.087 0.000 1.074 162 A CA 0.191 52.140 52.037 -0.146 0.000 0.774 162 A CB 0.446 19.340 19.000 -0.176 0.000 1.015 162 A HN 0.781 nan 8.150 nan 0.000 0.498 163 Q N 0.262 120.042 119.800 -0.034 0.000 2.387 163 Q HA 0.056 4.396 4.340 -0.000 0.000 0.208 163 Q C -0.469 175.551 176.000 0.033 0.000 0.935 163 Q CA 0.964 56.777 55.803 0.016 0.000 0.891 163 Q CB 0.117 28.861 28.738 0.010 0.000 1.007 163 Q HN 0.878 nan 8.270 nan 0.000 0.548 164 N N 1.789 120.494 118.700 0.010 0.000 2.581 164 N HA 0.266 5.006 4.740 -0.000 0.000 0.279 164 N C -2.614 172.896 175.510 0.000 0.000 1.124 164 N CA -0.792 52.269 53.050 0.017 0.000 0.833 164 N CB 1.706 40.200 38.487 0.012 0.000 1.338 164 N HN 0.030 nan 8.380 nan 0.000 0.533 165 P HA 0.256 nan 4.420 nan 0.000 0.278 165 P C -0.583 176.735 177.300 0.030 0.000 1.258 165 P CA -0.593 62.532 63.100 0.041 0.000 0.811 165 P CB 0.713 32.440 31.700 0.045 0.000 1.063 166 F N 1.627 121.548 119.950 -0.049 0.000 2.629 166 F HA 0.263 4.790 4.527 -0.000 0.000 0.377 166 F C -0.015 175.691 175.800 -0.156 0.000 1.101 166 F CA 0.862 58.789 58.000 -0.121 0.000 1.301 166 F CB 0.283 39.203 39.000 -0.133 0.000 1.062 166 F HN 0.469 nan 8.300 nan 0.000 0.583 167 S N 6.928 121.869 115.700 -1.265 0.000 2.542 167 S HA 0.448 4.918 4.470 -0.000 0.000 0.276 167 S C -1.078 172.860 174.600 -1.103 0.000 1.148 167 S CA -1.127 56.312 58.200 -1.269 0.000 0.886 167 S CB 0.869 63.726 63.200 -0.571 0.000 1.109 167 S HN 0.997 nan 8.310 nan 0.000 0.458 168 I N 1.374 121.359 120.570 -0.974 0.000 2.566 168 I HA 0.615 4.785 4.170 -0.000 0.000 0.303 168 I C -0.657 175.267 176.117 -0.322 0.000 0.983 168 I CA -0.481 60.468 61.300 -0.585 0.000 1.235 168 I CB 1.564 39.212 38.000 -0.588 0.000 1.386 168 I HN 0.919 nan 8.210 nan 0.000 0.494 169 Q N 5.601 125.268 119.800 -0.221 0.000 2.309 169 Q HA 0.418 4.758 4.340 -0.000 0.000 0.254 169 Q C -2.067 173.850 176.000 -0.139 0.000 0.938 169 Q CA -0.617 55.097 55.803 -0.147 0.000 0.789 169 Q CB 2.167 30.809 28.738 -0.160 0.000 1.313 169 Q HN 0.580 nan 8.270 nan 0.000 0.438 170 V N 5.725 125.582 119.914 -0.095 0.000 2.398 170 V HA 0.562 4.681 4.120 -0.000 0.000 0.286 170 V C -0.269 175.750 176.094 -0.126 0.000 1.026 170 V CA -0.371 61.831 62.300 -0.163 0.000 0.868 170 V CB 1.423 33.136 31.823 -0.184 0.000 0.982 170 V HN 0.650 nan 8.190 nan 0.000 0.443 171 I N 4.440 124.949 120.570 -0.102 0.000 2.545 171 I HA 0.529 4.699 4.170 -0.000 0.000 0.292 171 I C 0.125 176.223 176.117 -0.031 0.000 1.040 171 I CA -0.698 60.560 61.300 -0.070 0.000 1.068 171 I CB 1.972 39.936 38.000 -0.060 0.000 1.251 171 I HN 0.495 nan 8.210 nan 0.000 0.424 172 R N 5.928 126.414 120.500 -0.024 0.000 2.242 172 R HA 0.185 4.524 4.340 -0.000 0.000 0.334 172 R C 1.088 177.386 176.300 -0.002 0.000 1.071 172 R CA -0.310 55.794 56.100 0.007 0.000 0.922 172 R CB 0.713 31.026 30.300 0.021 0.000 1.023 172 R HN 0.731 nan 8.270 nan 0.000 0.458 173 K N 2.180 122.573 120.400 -0.012 0.000 2.057 173 K HA -0.153 4.166 4.320 -0.000 0.000 0.206 173 K C 1.677 178.270 176.600 -0.012 0.000 1.050 173 K CA 1.378 57.651 56.287 -0.022 0.000 0.935 173 K CB -0.392 32.082 32.500 -0.042 0.000 0.715 173 K HN 0.547 nan 8.250 nan 0.000 0.439 174 S N 2.961 118.657 115.700 -0.007 0.000 2.490 174 S HA -0.282 4.188 4.470 -0.000 0.000 0.291 174 S C 1.575 176.180 174.600 0.008 0.000 1.182 174 S CA 2.472 60.674 58.200 0.003 0.000 1.215 174 S CB -0.618 62.590 63.200 0.013 0.000 1.176 174 S HN 0.757 nan 8.310 nan 0.000 0.440 175 N N -0.484 118.223 118.700 0.013 0.000 2.143 175 N HA 0.248 4.988 4.740 -0.000 0.000 0.222 175 N C 1.185 176.703 175.510 0.012 0.000 1.264 175 N CA 1.018 54.079 53.050 0.017 0.000 0.897 175 N CB -0.219 38.285 38.487 0.030 0.000 1.092 175 N HN 0.927 nan 8.380 nan 0.000 0.516 176 G N 1.242 110.044 108.800 0.003 0.000 2.189 176 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.267 176 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.267 176 G C -0.021 174.876 174.900 -0.005 0.000 0.975 176 G CA 0.721 45.818 45.100 -0.005 0.000 0.644 176 G HN 0.721 nan 8.290 nan 0.000 0.537 177 K N 1.532 121.936 120.400 0.006 0.000 2.416 177 K HA 0.434 4.754 4.320 -0.000 0.000 0.283 177 K C 0.836 177.428 176.600 -0.015 0.000 1.037 177 K CA 0.496 56.790 56.287 0.011 0.000 0.995 177 K CB 0.355 32.878 32.500 0.039 0.000 0.938 177 K HN 0.313 nan 8.250 nan 0.000 0.475 178 T N 3.934 118.474 114.554 -0.024 0.000 2.780 178 T HA 0.234 4.584 4.350 -0.000 0.000 0.294 178 T C 0.989 175.643 174.700 -0.076 0.000 0.949 178 T CA -0.694 61.372 62.100 -0.057 0.000 1.074 178 T CB 0.472 69.304 68.868 -0.060 0.000 0.910 178 T HN 0.643 nan 8.240 nan 0.000 0.501 179 L N 3.146 124.271 121.223 -0.163 0.000 2.200 179 L HA 0.426 4.765 4.340 -0.000 0.000 0.200 179 L C 0.460 177.201 176.870 -0.214 0.000 1.072 179 L CA 0.261 54.876 54.840 -0.374 0.000 0.787 179 L CB 0.075 41.638 42.059 -0.826 0.000 0.957 179 L HN 0.628 nan 8.230 nan 0.000 0.459 180 F N 0.821 120.605 119.950 -0.277 0.000 2.577 180 F HA 0.342 4.869 4.527 -0.000 0.000 0.344 180 F C -1.011 174.708 175.800 -0.136 0.000 1.145 180 F CA -1.003 56.908 58.000 -0.148 0.000 0.996 180 F CB 0.994 39.919 39.000 -0.126 0.000 1.248 180 F HN -0.210 nan 8.300 nan 0.000 0.447 181 D N 4.011 124.204 120.400 -0.346 0.000 2.446 181 D HA 0.226 4.865 4.640 -0.000 0.000 0.251 181 D C 0.658 176.749 176.300 -0.349 0.000 1.137 181 D CA -0.046 53.792 54.000 -0.269 0.000 0.890 181 D CB 1.705 42.398 40.800 -0.178 0.000 1.071 181 D HN 0.524 nan 8.370 nan 0.000 0.528 182 T N 0.485 114.828 114.554 -0.353 0.000 3.035 182 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 182 T C 1.897 176.439 174.700 -0.263 0.000 1.109 182 T CA 1.312 63.213 62.100 -0.331 0.000 1.119 182 T CB 0.020 68.677 68.868 -0.351 0.000 0.900 182 T HN 0.493 nan 8.240 nan 0.000 0.503 183 S N 1.057 116.607 115.700 -0.249 0.000 2.493 183 S HA -0.082 4.388 4.470 -0.000 0.000 0.243 183 S C 1.763 176.288 174.600 -0.125 0.000 0.991 183 S CA 0.437 58.521 58.200 -0.192 0.000 0.957 183 S CB -0.593 62.506 63.200 -0.167 0.000 0.756 183 S HN 0.345 nan 8.310 nan 0.000 0.521 184 I N 1.455 121.952 120.570 -0.122 0.000 3.111 184 I HA 0.338 4.507 4.170 -0.000 0.000 0.272 184 I C 1.117 177.217 176.117 -0.029 0.000 1.268 184 I CA 0.206 61.462 61.300 -0.073 0.000 1.467 184 I CB -0.174 37.775 38.000 -0.086 0.000 1.087 184 I HN 0.523 nan 8.210 nan 0.000 0.467 185 G N -0.548 108.224 108.800 -0.046 0.000 2.606 185 G HA2 0.479 4.439 3.960 -0.000 0.000 0.300 185 G HA3 0.479 4.439 3.960 -0.000 0.000 0.300 185 G C -3.004 171.848 174.900 -0.080 0.000 1.360 185 G CA -0.633 44.448 45.100 -0.032 0.000 0.783 185 G HN -0.147 nan 8.290 nan 0.000 0.484 186 P HA 0.525 nan 4.420 nan 0.000 0.278 186 P C -0.962 176.327 177.300 -0.019 0.000 1.266 186 P CA -0.585 62.442 63.100 -0.122 0.000 0.807 186 P CB 1.649 33.143 31.700 -0.344 0.000 1.094 187 L N 1.020 122.326 121.223 0.139 0.000 2.295 187 L HA 0.443 4.783 4.340 -0.000 0.000 0.285 187 L C -1.025 176.013 176.870 0.279 0.000 1.035 187 L CA -0.503 54.449 54.840 0.186 0.000 0.806 187 L CB 1.221 43.399 42.059 0.198 0.000 1.214 187 L HN 0.032 nan 8.230 nan 0.000 0.426 188 V N 6.074 126.122 119.914 0.223 0.000 2.407 188 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 188 V C -1.233 175.044 176.094 0.305 0.000 1.018 188 V CA -0.438 62.061 62.300 0.332 0.000 0.842 188 V CB 1.185 33.195 31.823 0.312 0.000 0.996 188 V HN 0.686 nan 8.190 nan 0.000 0.426 189 Y N 4.525 124.984 120.300 0.265 0.000 2.526 189 Y HA 0.579 5.128 4.550 -0.000 0.000 0.328 189 Y C 0.378 176.422 175.900 0.239 0.000 0.995 189 Y CA -0.232 57.965 58.100 0.160 0.000 1.304 189 Y CB 1.468 39.922 38.460 -0.009 0.000 1.096 189 Y HN 0.721 nan 8.280 nan 0.000 0.499 190 S N 1.450 117.279 115.700 0.215 0.000 2.600 190 S HA 0.239 4.709 4.470 -0.000 0.000 0.300 190 S C 0.568 175.246 174.600 0.130 0.000 1.087 190 S CA -0.629 57.715 58.200 0.240 0.000 0.965 190 S CB 1.688 65.072 63.200 0.305 0.000 1.089 190 S HN 0.671 nan 8.310 nan 0.000 0.496 191 D N 0.820 121.314 120.400 0.157 0.000 2.191 191 D HA -0.200 4.439 4.640 -0.000 0.000 0.195 191 D C 1.310 177.678 176.300 0.114 0.000 1.003 191 D CA 1.956 56.029 54.000 0.122 0.000 0.867 191 D CB 0.081 40.954 40.800 0.121 0.000 0.926 191 D HN 0.715 nan 8.370 nan 0.000 0.450 192 Q N -2.093 117.803 119.800 0.159 0.000 2.139 192 Q HA 0.138 4.478 4.340 -0.000 0.000 0.219 192 Q C -1.075 175.071 176.000 0.243 0.000 0.805 192 Q CA -0.324 55.598 55.803 0.200 0.000 1.024 192 Q CB 1.370 30.226 28.738 0.197 0.000 1.163 192 Q HN 0.308 nan 8.270 nan 0.000 0.485 193 Y N 0.489 120.820 120.300 0.052 0.000 2.361 193 Y HA 0.443 4.993 4.550 -0.000 0.000 0.328 193 Y C -1.993 173.889 175.900 -0.030 0.000 1.044 193 Y CA -1.231 56.860 58.100 -0.016 0.000 1.085 193 Y CB 1.133 39.576 38.460 -0.028 0.000 1.194 193 Y HN -0.111 nan 8.280 nan 0.000 0.438 194 L N 5.798 126.697 121.223 -0.540 0.000 2.362 194 L HA 0.578 4.918 4.340 -0.000 0.000 0.275 194 L C -0.908 175.642 176.870 -0.533 0.000 0.998 194 L CA -0.567 54.018 54.840 -0.425 0.000 0.820 194 L CB 2.011 43.883 42.059 -0.312 0.000 1.270 194 L HN 0.721 nan 8.230 nan 0.000 0.415 195 Q N 3.642 123.280 119.800 -0.270 0.000 2.289 195 Q HA 0.705 5.044 4.340 -0.000 0.000 0.270 195 Q C -1.870 174.160 176.000 0.050 0.000 1.038 195 Q CA -0.445 55.270 55.803 -0.147 0.000 0.812 195 Q CB 3.002 31.665 28.738 -0.127 0.000 1.300 195 Q HN 0.691 nan 8.270 nan 0.000 0.427 196 I N 1.364 122.017 120.570 0.138 0.000 2.775 196 I HA 0.477 4.646 4.170 -0.000 0.000 0.295 196 I C -1.499 174.733 176.117 0.191 0.000 1.287 196 I CA -0.246 61.144 61.300 0.150 0.000 1.029 196 I CB 2.529 40.637 38.000 0.181 0.000 1.282 196 I HN 0.593 nan 8.210 nan 0.000 0.426 197 S N 4.543 120.286 115.700 0.071 0.000 2.566 197 S HA 0.939 5.408 4.470 -0.000 0.000 0.298 197 S C -1.013 173.504 174.600 -0.138 0.000 1.083 197 S CA -0.631 57.591 58.200 0.036 0.000 0.978 197 S CB 1.926 65.136 63.200 0.018 0.000 1.073 197 S HN 0.756 nan 8.310 nan 0.000 0.491 198 A N 1.945 124.645 122.820 -0.199 0.000 2.427 198 A HA 0.676 4.996 4.320 -0.000 0.000 0.298 198 A C -0.605 176.808 177.584 -0.284 0.000 1.036 198 A CA -0.706 51.042 52.037 -0.482 0.000 0.701 198 A CB 1.129 19.471 19.000 -1.096 0.000 1.250 198 A HN 0.704 nan 8.150 nan 0.000 0.412 199 R N 2.957 123.301 120.500 -0.260 0.000 2.298 199 R HA 0.534 4.874 4.340 -0.000 0.000 0.310 199 R C -1.149 175.098 176.300 -0.088 0.000 1.068 199 R CA -0.207 55.804 56.100 -0.149 0.000 0.957 199 R CB 0.303 30.528 30.300 -0.125 0.000 1.003 199 R HN 0.738 nan 8.270 nan 0.000 0.454 200 L N 6.644 127.861 121.223 -0.011 0.000 2.344 200 L HA 0.416 4.755 4.340 -0.000 0.000 0.272 200 L C -1.234 175.698 176.870 0.103 0.000 1.035 200 L CA -2.086 52.831 54.840 0.128 0.000 0.807 200 L CB 1.919 44.090 42.059 0.186 0.000 1.237 200 L HN 0.540 nan 8.230 nan 0.000 0.442 201 P HA -0.034 nan 4.420 nan 0.000 0.227 201 P C 0.275 177.653 177.300 0.131 0.000 1.161 201 P CA 0.602 63.785 63.100 0.138 0.000 0.788 201 P CB 0.471 32.280 31.700 0.181 0.000 0.822 202 S N -1.409 114.375 115.700 0.139 0.000 2.740 202 S HA 0.408 4.878 4.470 -0.000 0.000 0.300 202 S C 0.009 174.639 174.600 0.049 0.000 1.147 202 S CA -0.643 57.641 58.200 0.141 0.000 0.871 202 S CB 1.238 64.567 63.200 0.215 0.000 1.173 202 S HN -0.307 nan 8.310 nan 0.000 0.510 203 D N 0.124 120.551 120.400 0.045 0.000 2.342 203 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 203 D C -1.067 174.871 176.300 -0.602 0.000 1.101 203 D CA 0.476 54.308 54.000 -0.281 0.000 0.837 203 D CB -0.193 40.404 40.800 -0.340 0.000 0.938 203 D HN 0.494 nan 8.370 nan 0.000 0.508 204 Y N 0.602 120.801 120.300 -0.168 0.000 2.478 204 Y HA 0.430 4.980 4.550 -0.000 0.000 0.329 204 Y C 0.223 175.816 175.900 -0.511 0.000 0.967 204 Y CA -0.584 57.322 58.100 -0.322 0.000 1.255 204 Y CB 0.786 39.141 38.460 -0.177 0.000 1.103 204 Y HN -0.265 nan 8.280 nan 0.000 0.497 205 I N 3.785 123.944 120.570 -0.684 0.000 2.509 205 I HA 0.441 4.611 4.170 -0.000 0.000 0.293 205 I C -1.198 174.404 176.117 -0.858 0.000 1.020 205 I CA -1.065 59.864 61.300 -0.619 0.000 1.088 205 I CB 1.753 39.379 38.000 -0.623 0.000 1.267 205 I HN 0.382 nan 8.210 nan 0.000 0.430 206 Y N 3.423 123.546 120.300 -0.294 0.000 2.406 206 Y HA 0.787 5.337 4.550 -0.000 0.000 0.340 206 Y C 0.586 176.288 175.900 -0.331 0.000 0.975 206 Y CA -0.571 57.246 58.100 -0.472 0.000 1.056 206 Y CB 2.164 40.184 38.460 -0.734 0.000 1.210 206 Y HN 0.829 nan 8.280 nan 0.000 0.448 207 G N 1.480 110.182 108.800 -0.164 0.000 2.306 207 G HA2 0.174 4.134 3.960 -0.000 0.000 0.262 207 G HA3 0.174 4.134 3.960 -0.000 0.000 0.262 207 G C -1.135 173.823 174.900 0.097 0.000 1.263 207 G CA -0.573 44.510 45.100 -0.029 0.000 1.088 207 G HN 0.998 nan 8.290 nan 0.000 0.489 208 I N -1.064 119.680 120.570 0.291 0.000 8.785 208 I HA 0.199 4.369 4.170 -0.000 0.000 0.126 208 I C 0.626 176.926 176.117 0.305 0.000 1.862 208 I CA 1.264 62.668 61.300 0.174 0.000 2.038 208 I CB -0.751 37.228 38.000 -0.034 0.000 3.895 208 I HN 2.383 nan 8.210 nan 0.000 0.169 209 G N 4.117 112.953 108.800 0.061 0.000 2.506 209 G HA2 0.541 4.501 3.960 -0.000 0.000 0.292 209 G HA3 0.541 4.501 3.960 -0.000 0.000 0.292 209 G C -1.905 172.955 174.900 -0.068 0.000 1.425 209 G CA -0.662 44.458 45.100 0.034 0.000 0.788 209 G HN 0.802 nan 8.290 nan 0.000 0.490 210 E N -0.183 120.024 120.200 0.011 0.000 2.115 210 E HA 0.569 4.919 4.350 -0.000 0.000 0.282 210 E C -0.483 176.122 176.600 0.008 0.000 0.987 210 E CA -0.177 56.285 56.400 0.104 0.000 0.797 210 E CB 0.852 30.704 29.700 0.255 0.000 1.086 210 E HN 0.383 nan 8.360 nan 0.000 0.397 211 Q N 1.460 121.179 119.800 -0.134 0.000 2.544 211 Q HA 0.423 4.763 4.340 -0.000 0.000 0.291 211 Q C -1.401 174.375 176.000 -0.374 0.000 1.068 211 Q CA -0.863 54.792 55.803 -0.247 0.000 0.785 211 Q CB 2.257 30.816 28.738 -0.298 0.000 1.481 211 Q HN 0.334 nan 8.270 nan 0.000 0.430 212 V N 2.214 121.973 119.914 -0.257 0.000 2.356 212 V HA 0.102 4.222 4.120 -0.000 0.000 0.258 212 V C -0.032 175.838 176.094 -0.373 0.000 1.065 212 V CA 0.216 62.350 62.300 -0.277 0.000 0.935 212 V CB 0.090 31.772 31.823 -0.235 0.000 1.061 212 V HN 0.732 nan 8.190 nan 0.000 0.484 213 H N 2.956 121.875 119.070 -0.252 0.000 2.497 213 H HA 0.094 4.649 4.556 -0.000 0.000 0.282 213 H C 1.598 176.778 175.328 -0.247 0.000 1.003 213 H CA 0.627 56.481 56.048 -0.323 0.000 1.307 213 H CB 0.194 29.657 29.762 -0.497 0.000 1.437 213 H HN 0.676 nan 8.280 nan 0.000 0.544 214 K N -1.266 118.999 120.400 -0.224 0.000 4.378 214 K HA -0.196 4.124 4.320 -0.000 0.000 0.416 214 K C -0.020 176.628 176.600 0.079 0.000 0.469 214 K CA 1.520 57.651 56.287 -0.260 0.000 1.807 214 K CB -0.529 31.743 32.500 -0.380 0.000 0.965 214 K HN 0.088 nan 8.250 nan 0.000 0.530 215 R N -0.176 120.353 120.500 0.047 0.000 2.670 215 R HA 0.256 4.596 4.340 -0.000 0.000 0.289 215 R C 0.431 176.765 176.300 0.057 0.000 0.965 215 R CA -0.421 55.730 56.100 0.085 0.000 0.899 215 R CB 0.987 31.311 30.300 0.041 0.000 1.173 215 R HN 0.005 nan 8.270 nan 0.000 0.456 216 F N 2.612 122.550 119.950 -0.020 0.000 2.128 216 F HA -0.019 4.508 4.527 -0.000 0.000 0.295 216 F C 1.118 176.879 175.800 -0.066 0.000 1.100 216 F CA 0.934 58.926 58.000 -0.014 0.000 1.260 216 F CB 0.137 39.200 39.000 0.105 0.000 1.009 216 F HN 0.407 nan 8.300 nan 0.000 0.476 217 R N 0.542 120.980 120.500 -0.102 0.000 2.308 217 R HA 0.198 4.538 4.340 -0.000 0.000 0.305 217 R C -1.195 174.852 176.300 -0.422 0.000 1.053 217 R CA -0.178 55.656 56.100 -0.443 0.000 0.957 217 R CB -0.229 29.967 30.300 -0.175 0.000 1.022 217 R HN 0.191 nan 8.270 nan 0.000 0.461 218 H N 1.263 120.000 119.070 -0.554 0.000 2.848 218 H HA 0.046 4.602 4.556 -0.000 0.000 0.341 218 H C -0.536 174.617 175.328 -0.291 0.000 1.060 218 H CA 0.839 56.638 56.048 -0.415 0.000 1.444 218 H CB 0.631 30.097 29.762 -0.494 0.000 1.446 218 H HN 0.673 nan 8.280 nan 0.000 0.583 219 D N 2.835 123.204 120.400 -0.051 0.000 2.417 219 D HA -0.026 4.614 4.640 -0.000 0.000 0.250 219 D C 0.448 176.690 176.300 -0.097 0.000 1.166 219 D CA 0.144 54.110 54.000 -0.057 0.000 0.881 219 D CB 0.745 41.548 40.800 0.005 0.000 1.164 219 D HN 0.492 nan 8.370 nan 0.000 0.467 220 L N 2.295 123.404 121.223 -0.191 0.000 2.592 220 L HA 0.106 4.446 4.340 -0.000 0.000 0.227 220 L C 1.323 177.975 176.870 -0.363 0.000 1.127 220 L CA -0.077 54.584 54.840 -0.299 0.000 0.884 220 L CB 0.029 41.893 42.059 -0.326 0.000 1.065 220 L HN 0.250 nan 8.230 nan 0.000 0.457 221 S N 0.472 116.039 115.700 -0.223 0.000 4.139 221 S HA 0.090 4.559 4.470 -0.000 0.000 0.215 221 S C -0.569 174.016 174.600 -0.024 0.000 1.390 221 S CA -0.476 57.646 58.200 -0.129 0.000 0.885 221 S CB -0.848 62.368 63.200 0.027 0.000 1.560 221 S HN 0.411 nan 8.310 nan 0.000 0.449 222 W N 1.691 122.826 121.300 -0.275 0.000 5.655 222 W HA -0.183 4.477 4.660 -0.000 0.000 0.428 222 W C -0.117 176.088 176.519 -0.523 0.000 1.712 222 W CA 0.017 57.130 57.345 -0.387 0.000 0.956 222 W CB -1.552 27.859 29.460 -0.081 0.000 2.931 222 W HN 0.304 nan 8.180 nan 0.000 1.293 223 K N 0.784 120.795 120.400 -0.649 0.000 2.292 223 K HA 0.602 4.921 4.320 -0.000 0.000 0.257 223 K C 0.346 176.515 176.600 -0.719 0.000 0.940 223 K CA -0.768 55.177 56.287 -0.570 0.000 0.811 223 K CB 1.776 34.022 32.500 -0.424 0.000 1.120 223 K HN -0.007 nan 8.250 nan 0.000 0.428 224 T N -0.358 113.897 114.554 -0.498 0.000 2.837 224 T HA 0.489 4.839 4.350 -0.000 0.000 0.285 224 T C -0.527 173.816 174.700 -0.596 0.000 0.984 224 T CA -0.731 61.217 62.100 -0.254 0.000 1.049 224 T CB 0.562 69.469 68.868 0.066 0.000 0.947 224 T HN 0.497 nan 8.240 nan 0.000 0.472 225 W N 3.476 124.802 121.300 0.043 0.000 2.453 225 W HA 0.383 5.043 4.660 -0.000 0.000 0.310 225 W C -2.589 173.953 176.519 0.038 0.000 1.000 225 W CA -2.503 54.865 57.345 0.040 0.000 1.367 225 W CB 1.534 31.031 29.460 0.063 0.000 1.269 225 W HN 0.470 nan 8.180 nan 0.000 0.418 226 P HA 0.313 nan 4.420 nan 0.000 0.281 226 P C -0.482 176.900 177.300 0.137 0.000 1.252 226 P CA 0.071 63.257 63.100 0.143 0.000 0.778 226 P CB 1.585 33.336 31.700 0.084 0.000 0.895 227 I N 4.452 125.078 120.570 0.095 0.000 2.389 227 I HA 0.518 4.688 4.170 -0.000 0.000 0.288 227 I C -0.546 175.674 176.117 0.172 0.000 0.999 227 I CA -0.557 60.746 61.300 0.004 0.000 1.129 227 I CB 0.874 38.730 38.000 -0.240 0.000 1.288 227 I HN 0.217 nan 8.210 nan 0.000 0.444 228 F N 4.192 124.161 119.950 0.030 0.000 2.684 228 F HA 0.148 4.674 4.527 -0.000 0.000 0.329 228 F C -0.094 175.824 175.800 0.197 0.000 1.094 228 F CA -0.471 57.642 58.000 0.188 0.000 1.116 228 F CB 1.229 40.294 39.000 0.109 0.000 1.366 228 F HN 0.312 nan 8.300 nan 0.000 0.567 229 T N 5.078 119.575 114.554 -0.095 0.000 2.871 229 T HA 0.408 4.758 4.350 -0.000 0.000 0.296 229 T C -0.456 174.180 174.700 -0.107 0.000 0.998 229 T CA 0.733 62.767 62.100 -0.109 0.000 1.162 229 T CB -0.064 68.672 68.868 -0.219 0.000 0.947 229 T HN 0.730 nan 8.240 nan 0.000 0.536 230 R N 3.267 123.760 120.500 -0.012 0.000 2.561 230 R HA 0.299 4.639 4.340 -0.000 0.000 0.266 230 R C -1.956 174.342 176.300 -0.003 0.000 1.091 230 R CA -0.734 55.370 56.100 0.006 0.000 0.927 230 R CB 1.157 31.466 30.300 0.015 0.000 1.240 230 R HN 0.488 nan 8.270 nan 0.000 0.449 231 D N 2.662 123.102 120.400 0.068 0.000 2.325 231 D HA 0.299 4.939 4.640 -0.000 0.000 0.251 231 D C -1.263 175.065 176.300 0.045 0.000 1.196 231 D CA 0.500 54.587 54.000 0.146 0.000 0.866 231 D CB 1.121 42.032 40.800 0.184 0.000 1.101 231 D HN 0.470 nan 8.370 nan 0.000 0.476 232 Q N 3.388 123.163 119.800 -0.041 0.000 2.443 232 Q HA 0.261 4.601 4.340 -0.000 0.000 0.258 232 Q C -1.609 174.374 176.000 -0.029 0.000 0.967 232 Q CA -0.506 55.268 55.803 -0.048 0.000 0.951 232 Q CB 0.742 29.416 28.738 -0.108 0.000 1.459 232 Q HN 0.470 nan 8.270 nan 0.000 0.415 233 L N 5.269 126.557 121.223 0.109 0.000 2.559 233 L HA 0.275 4.615 4.340 -0.000 0.000 0.274 233 L C -1.814 175.120 176.870 0.108 0.000 1.205 233 L CA -1.462 53.483 54.840 0.175 0.000 0.907 233 L CB 0.006 42.191 42.059 0.210 0.000 1.153 233 L HN 0.548 nan 8.230 nan 0.000 0.490 234 P HA 0.153 nan 4.420 nan 0.000 0.267 234 P C 0.010 177.426 177.300 0.193 0.000 1.205 234 P CA 0.047 63.221 63.100 0.123 0.000 0.765 234 P CB 1.075 32.887 31.700 0.187 0.000 0.828 235 G N 1.179 110.068 108.800 0.148 0.000 2.827 235 G HA2 0.308 4.268 3.960 -0.000 0.000 0.296 235 G HA3 0.308 4.268 3.960 -0.000 0.000 0.296 235 G C -1.316 173.634 174.900 0.083 0.000 1.362 235 G CA -0.423 44.799 45.100 0.203 0.000 0.809 235 G HN 0.319 nan 8.290 nan 0.000 0.522 236 D N 1.157 121.627 120.400 0.118 0.000 2.551 236 D HA 0.221 4.860 4.640 -0.000 0.000 0.223 236 D C 0.275 176.557 176.300 -0.029 0.000 1.144 236 D CA -0.144 53.834 54.000 -0.036 0.000 1.025 236 D CB -0.853 40.038 40.800 0.151 0.000 1.085 236 D HN 0.507 nan 8.370 nan 0.000 0.506 237 N N 0.498 119.165 118.700 -0.056 0.000 3.308 237 N HA 0.033 4.773 4.740 -0.000 0.000 0.276 237 N C -0.491 175.014 175.510 -0.008 0.000 1.533 237 N CA -0.666 52.365 53.050 -0.032 0.000 0.878 237 N CB 0.151 38.633 38.487 -0.009 0.000 1.566 237 N HN 0.045 nan 8.380 nan 0.000 0.546 238 N N -0.469 118.207 118.700 -0.039 0.000 2.320 238 N HA 0.032 4.771 4.740 -0.000 0.000 0.237 238 N C -1.079 174.464 175.510 0.055 0.000 1.129 238 N CA -0.324 52.724 53.050 -0.002 0.000 0.854 238 N CB -0.884 37.401 38.487 -0.338 0.000 1.083 238 N HN 0.428 nan 8.380 nan 0.000 0.504 239 N N 1.897 120.616 118.700 0.032 0.000 2.412 239 N HA -0.064 4.676 4.740 -0.000 0.000 0.254 239 N C -0.131 175.404 175.510 0.042 0.000 1.232 239 N CA -0.154 52.910 53.050 0.024 0.000 0.880 239 N CB 0.364 38.849 38.487 -0.004 0.000 1.076 239 N HN 0.424 nan 8.380 nan 0.000 0.458 240 N N 3.296 122.027 118.700 0.052 0.000 2.447 240 N HA 0.016 4.756 4.740 -0.000 0.000 0.263 240 N C -0.457 175.040 175.510 -0.023 0.000 1.226 240 N CA 0.405 53.488 53.050 0.056 0.000 0.906 240 N CB 1.058 39.614 38.487 0.116 0.000 1.060 240 N HN 0.402 nan 8.380 nan 0.000 0.468 241 L N 0.860 122.043 121.223 -0.066 0.000 2.755 241 L HA 0.297 4.637 4.340 -0.000 0.000 0.243 241 L C 1.297 178.084 176.870 -0.138 0.000 1.579 241 L CA -1.015 53.680 54.840 -0.242 0.000 1.669 241 L CB -0.292 41.567 42.059 -0.333 0.000 2.294 241 L HN 0.316 nan 8.230 nan 0.000 0.588 242 Y N 0.296 120.634 120.300 0.062 0.000 2.181 242 Y HA -0.026 4.523 4.550 -0.000 0.000 0.288 242 Y C 1.469 177.414 175.900 0.075 0.000 1.146 242 Y CA 0.788 58.919 58.100 0.050 0.000 1.164 242 Y CB -0.886 37.589 38.460 0.025 0.000 0.982 242 Y HN 0.426 nan 8.280 nan 0.000 0.515 243 G N -1.881 107.072 108.800 0.255 0.000 2.491 243 G HA2 0.389 4.349 3.960 -0.000 0.000 0.327 243 G HA3 0.389 4.349 3.960 -0.000 0.000 0.327 243 G C -1.639 173.360 174.900 0.166 0.000 1.189 243 G CA -0.578 44.644 45.100 0.203 0.000 0.956 243 G HN 0.379 nan 8.290 nan 0.000 0.491 244 H N 0.200 119.306 119.070 0.061 0.000 2.791 244 H HA 0.408 4.964 4.556 -0.000 0.000 0.272 244 H C -0.783 174.464 175.328 -0.135 0.000 1.188 244 H CA -0.574 55.515 56.048 0.069 0.000 1.436 244 H CB 0.478 30.398 29.762 0.264 0.000 1.467 244 H HN 0.204 nan 8.280 nan 0.000 0.500 245 Q N 3.719 123.366 119.800 -0.255 0.000 2.320 245 Q HA 0.136 4.476 4.340 -0.000 0.000 0.268 245 Q C 0.411 176.222 176.000 -0.316 0.000 1.023 245 Q CA -0.435 55.046 55.803 -0.537 0.000 0.744 245 Q CB 1.895 29.748 28.738 -1.475 0.000 1.246 245 Q HN 0.841 nan 8.270 nan 0.000 0.462 246 T N -1.478 113.058 114.554 -0.031 0.000 3.107 246 T HA 0.145 4.494 4.350 -0.000 0.000 0.249 246 T C 0.405 175.269 174.700 0.274 0.000 1.096 246 T CA -0.217 61.970 62.100 0.145 0.000 1.012 246 T CB -0.111 68.875 68.868 0.198 0.000 0.977 246 T HN 0.304 nan 8.240 nan 0.000 0.527 247 F N 3.969 123.933 119.950 0.023 0.000 2.504 247 F HA 0.495 5.022 4.527 -0.000 0.000 0.369 247 F C -0.537 175.333 175.800 0.116 0.000 1.082 247 F CA -2.486 55.489 58.000 -0.042 0.000 1.216 247 F CB 0.049 38.707 39.000 -0.571 0.000 1.108 247 F HN 0.262 nan 8.300 nan 0.000 0.554 248 F N 6.280 125.826 119.950 -0.674 0.000 2.611 248 F HA 0.730 5.257 4.527 -0.000 0.000 0.324 248 F C -1.236 173.962 175.800 -1.002 0.000 1.061 248 F CA -1.549 55.994 58.000 -0.762 0.000 0.954 248 F CB 1.478 40.244 39.000 -0.390 0.000 1.301 248 F HN 0.520 nan 8.300 nan 0.000 0.482 249 M N 2.964 122.281 119.600 -0.471 0.000 2.644 249 M HA 0.717 5.197 4.480 -0.000 0.000 0.304 249 M C -2.087 174.122 176.300 -0.152 0.000 1.215 249 M CA -0.535 54.519 55.300 -0.409 0.000 0.871 249 M CB 2.231 34.644 32.600 -0.312 0.000 1.740 249 M HN 1.091 nan 8.290 nan 0.000 0.464 250 C N 4.707 123.792 119.300 -0.359 0.000 2.811 250 C HA 0.619 5.079 4.460 -0.000 0.000 0.352 250 C C -1.359 173.386 174.990 -0.407 0.000 1.098 250 C CA -0.788 58.000 59.018 -0.382 0.000 1.295 250 C CB 0.859 28.214 27.740 -0.642 0.000 1.758 250 C HN 0.976 nan 8.230 nan 0.000 0.488 251 I N 5.738 126.159 120.570 -0.249 0.000 2.321 251 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 251 I C 0.886 176.851 176.117 -0.253 0.000 0.998 251 I CA -0.023 61.078 61.300 -0.332 0.000 1.227 251 I CB 1.409 39.066 38.000 -0.572 0.000 1.368 251 I HN 0.878 nan 8.210 nan 0.000 0.466 252 E N 4.543 124.686 120.200 -0.095 0.000 2.051 252 E HA -0.056 4.293 4.350 -0.000 0.000 0.189 252 E C -0.579 176.078 176.600 0.096 0.000 0.979 252 E CA 1.011 57.448 56.400 0.063 0.000 0.803 252 E CB 0.124 29.910 29.700 0.143 0.000 0.761 252 E HN 0.874 nan 8.360 nan 0.000 0.451 253 D N -2.802 117.657 120.400 0.098 0.000 2.768 253 D HA 0.043 4.683 4.640 -0.000 0.000 0.327 253 D C 0.213 176.740 176.300 0.378 0.000 1.302 253 D CA -0.590 53.572 54.000 0.270 0.000 0.897 253 D CB 0.520 41.438 40.800 0.196 0.000 1.420 253 D HN -0.249 nan 8.370 nan 0.000 0.494 254 T N -1.246 113.554 114.554 0.411 0.000 2.929 254 T HA -0.094 4.255 4.350 -0.000 0.000 0.271 254 T C 1.631 176.547 174.700 0.359 0.000 1.085 254 T CA 1.929 64.277 62.100 0.412 0.000 1.125 254 T CB -0.614 68.383 68.868 0.215 0.000 0.874 254 T HN 0.473 nan 8.240 nan 0.000 0.494 255 S N -0.314 115.534 115.700 0.247 0.000 2.515 255 S HA 0.230 4.700 4.470 -0.000 0.000 0.231 255 S C 1.823 176.514 174.600 0.152 0.000 0.987 255 S CA 1.096 59.422 58.200 0.209 0.000 0.936 255 S CB -0.312 62.964 63.200 0.128 0.000 0.766 255 S HN 0.774 nan 8.310 nan 0.000 0.528 256 G N 0.474 109.291 108.800 0.027 0.000 2.179 256 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 256 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 256 G C -0.051 174.644 174.900 -0.342 0.000 0.990 256 G CA -0.089 44.724 45.100 -0.479 0.000 0.646 256 G HN 0.571 nan 8.290 nan 0.000 0.517 257 K N 1.493 121.817 120.400 -0.126 0.000 2.447 257 K HA 0.481 4.801 4.320 -0.000 0.000 0.281 257 K C 0.099 176.663 176.600 -0.059 0.000 1.031 257 K CA 0.805 57.055 56.287 -0.061 0.000 1.019 257 K CB 0.496 33.008 32.500 0.020 0.000 0.918 257 K HN 0.272 nan 8.250 nan 0.000 0.476 258 S N 2.001 117.676 115.700 -0.043 0.000 2.651 258 S HA 0.708 5.178 4.470 -0.000 0.000 0.279 258 S C -1.197 173.472 174.600 0.116 0.000 1.148 258 S CA -0.999 57.171 58.200 -0.050 0.000 0.837 258 S CB 0.926 64.008 63.200 -0.196 0.000 1.138 258 S HN 0.538 nan 8.310 nan 0.000 0.478 259 F N -1.396 118.548 119.950 -0.010 0.000 2.664 259 F HA 0.978 5.505 4.527 -0.000 0.000 0.317 259 F C -0.192 175.612 175.800 0.006 0.000 1.108 259 F CA -0.932 57.080 58.000 0.020 0.000 0.957 259 F CB 0.962 39.989 39.000 0.046 0.000 1.365 259 F HN 0.765 nan 8.300 nan 0.000 0.475 260 G N 0.146 109.083 108.800 0.228 0.000 2.563 260 G HA2 0.632 4.592 3.960 -0.000 0.000 0.302 260 G HA3 0.632 4.592 3.960 -0.000 0.000 0.302 260 G C -2.340 172.635 174.900 0.125 0.000 1.301 260 G CA -1.191 43.947 45.100 0.062 0.000 0.965 260 G HN 0.760 nan 8.290 nan 0.000 0.480 261 V N 1.339 121.104 119.914 -0.249 0.000 2.482 261 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 261 V C -1.345 174.796 176.094 0.079 0.000 1.026 261 V CA -0.699 61.529 62.300 -0.119 0.000 0.856 261 V CB 1.245 32.915 31.823 -0.255 0.000 1.001 261 V HN 0.686 nan 8.190 nan 0.000 0.424 262 F N 6.626 126.649 119.950 0.122 0.000 2.467 262 F HA 0.799 5.326 4.527 -0.000 0.000 0.336 262 F C -0.980 174.794 175.800 -0.043 0.000 1.123 262 F CA -1.370 56.711 58.000 0.134 0.000 0.964 262 F CB 1.756 40.887 39.000 0.218 0.000 1.136 262 F HN 0.436 nan 8.300 nan 0.000 0.447 263 L N 8.186 128.920 121.223 -0.816 0.000 2.280 263 L HA 0.532 4.872 4.340 -0.000 0.000 0.287 263 L C -0.772 175.358 176.870 -1.234 0.000 1.023 263 L CA -0.653 53.483 54.840 -1.173 0.000 0.819 263 L CB 1.211 42.683 42.059 -0.979 0.000 1.212 263 L HN 0.773 nan 8.230 nan 0.000 0.420 264 M N 6.361 125.297 119.600 -1.107 0.000 2.435 264 M HA 0.435 4.914 4.480 -0.000 0.000 0.344 264 M C -1.159 174.987 176.300 -0.256 0.000 1.329 264 M CA 0.546 55.474 55.300 -0.620 0.000 1.320 264 M CB -0.668 31.745 32.600 -0.312 0.000 1.309 264 M HN 0.671 nan 8.290 nan 0.000 0.451 265 N N 1.688 120.360 118.700 -0.046 0.000 2.521 265 N HA 0.208 4.948 4.740 -0.000 0.000 0.269 265 N C -1.040 174.607 175.510 0.229 0.000 1.079 265 N CA 0.114 53.196 53.050 0.053 0.000 0.980 265 N CB 1.529 39.998 38.487 -0.030 0.000 1.667 265 N HN 0.548 nan 8.380 nan 0.000 0.498 266 S N 1.271 117.080 115.700 0.183 0.000 2.593 266 S HA 0.272 4.742 4.470 -0.000 0.000 0.236 266 S C 0.183 174.849 174.600 0.111 0.000 0.991 266 S CA -0.620 57.569 58.200 -0.018 0.000 0.963 266 S CB -0.258 62.785 63.200 -0.262 0.000 0.865 266 S HN 0.489 nan 8.310 nan 0.000 0.488 267 N N 2.183 121.005 118.700 0.203 0.000 2.445 267 N HA 0.434 5.174 4.740 -0.000 0.000 0.264 267 N C 0.143 175.792 175.510 0.232 0.000 1.227 267 N CA 0.065 53.187 53.050 0.119 0.000 0.963 267 N CB 0.894 39.386 38.487 0.009 0.000 1.188 267 N HN 0.440 nan 8.380 nan 0.000 0.491 268 A N 1.354 124.149 122.820 -0.041 0.000 2.531 268 A HA 0.274 4.594 4.320 -0.000 0.000 0.236 268 A C 0.393 177.965 177.584 -0.020 0.000 1.062 268 A CA 0.463 52.379 52.037 -0.203 0.000 0.760 268 A CB -0.278 18.156 19.000 -0.944 0.000 0.995 268 A HN 0.768 nan 8.150 nan 0.000 0.501 269 M N 0.371 120.011 119.600 0.067 0.000 2.682 269 M HA 0.666 5.146 4.480 -0.000 0.000 0.272 269 M C -1.317 175.071 176.300 0.148 0.000 1.232 269 M CA -0.549 54.835 55.300 0.139 0.000 0.849 269 M CB 1.666 34.373 32.600 0.179 0.000 1.695 269 M HN 0.520 nan 8.290 nan 0.000 0.481 270 E N 1.533 121.859 120.200 0.211 0.000 2.187 270 E HA 0.658 5.007 4.350 -0.000 0.000 0.268 270 E C -1.476 175.227 176.600 0.172 0.000 0.896 270 E CA -0.740 55.783 56.400 0.206 0.000 0.766 270 E CB 2.778 32.644 29.700 0.277 0.000 1.142 270 E HN 0.584 nan 8.360 nan 0.000 0.408 271 I N 3.522 124.175 120.570 0.138 0.000 2.339 271 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 271 I C -0.776 175.404 176.117 0.105 0.000 0.994 271 I CA -0.678 60.631 61.300 0.015 0.000 1.191 271 I CB 0.751 38.687 38.000 -0.106 0.000 1.343 271 I HN 0.406 nan 8.210 nan 0.000 0.458 272 F N 7.864 127.756 119.950 -0.097 0.000 2.444 272 F HA 0.750 5.277 4.527 -0.000 0.000 0.342 272 F C -0.120 175.584 175.800 -0.160 0.000 1.121 272 F CA -0.498 57.455 58.000 -0.078 0.000 0.997 272 F CB 1.303 40.297 39.000 -0.011 0.000 1.130 272 F HN 0.302 nan 8.300 nan 0.000 0.454 273 I N 5.692 125.880 120.570 -0.636 0.000 2.404 273 I HA 0.711 4.881 4.170 -0.000 0.000 0.293 273 I C -0.950 174.690 176.117 -0.794 0.000 0.992 273 I CA -0.569 60.387 61.300 -0.573 0.000 1.149 273 I CB 1.454 39.167 38.000 -0.477 0.000 1.315 273 I HN 0.741 nan 8.210 nan 0.000 0.446 274 Q N 5.120 124.527 119.800 -0.655 0.000 2.456 274 Q HA 0.753 5.093 4.340 -0.000 0.000 0.283 274 Q C -3.181 172.369 176.000 -0.750 0.000 1.084 274 Q CA -1.868 53.358 55.803 -0.961 0.000 0.801 274 Q CB 2.352 30.426 28.738 -1.107 0.000 1.434 274 Q HN 0.465 nan 8.270 nan 0.000 0.419 275 P HA 0.054 nan 4.420 nan 0.000 0.269 275 P C -0.057 177.043 177.300 -0.333 0.000 1.209 275 P CA 0.914 63.732 63.100 -0.471 0.000 0.776 275 P CB 1.023 32.501 31.700 -0.370 0.000 0.876 276 T N -0.869 113.547 114.554 -0.230 0.000 5.601 276 T HA -0.015 4.335 4.350 -0.000 0.000 0.270 276 T C -2.770 171.854 174.700 -0.127 0.000 2.207 276 T CA 0.053 62.060 62.100 -0.155 0.000 3.784 276 T CB -1.979 66.806 68.868 -0.140 0.000 0.428 276 T HN 0.379 nan 8.240 nan 0.000 0.338 277 P HA 0.791 nan 4.420 nan 0.000 0.290 277 P C -1.139 176.046 177.300 -0.192 0.000 1.283 277 P CA -0.688 62.277 63.100 -0.225 0.000 0.869 277 P CB 1.265 32.805 31.700 -0.267 0.000 1.100 278 I N 1.382 121.818 120.570 -0.224 0.000 2.410 278 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 278 I C -0.071 175.948 176.117 -0.164 0.000 1.009 278 I CA -1.059 60.142 61.300 -0.165 0.000 1.111 278 I CB 2.141 40.064 38.000 -0.127 0.000 1.262 278 I HN 0.058 nan 8.210 nan 0.000 0.443 279 V N 6.385 126.214 119.914 -0.142 0.000 2.481 279 V HA 0.609 4.729 4.120 -0.000 0.000 0.286 279 V C -0.247 175.828 176.094 -0.031 0.000 1.042 279 V CA 0.290 62.492 62.300 -0.162 0.000 0.928 279 V CB 1.881 33.538 31.823 -0.275 0.000 0.986 279 V HN 0.787 nan 8.190 nan 0.000 0.462 280 T N 6.714 121.260 114.554 -0.014 0.000 2.841 280 T HA 0.541 4.891 4.350 -0.000 0.000 0.285 280 T C -1.252 173.484 174.700 0.060 0.000 0.991 280 T CA -0.052 62.117 62.100 0.114 0.000 0.966 280 T CB 1.048 70.017 68.868 0.169 0.000 0.962 280 T HN 0.555 nan 8.240 nan 0.000 0.438 281 Y N 2.239 122.643 120.300 0.173 0.000 2.328 281 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 281 Y C 1.002 176.925 175.900 0.038 0.000 1.008 281 Y CA -1.097 57.103 58.100 0.166 0.000 1.129 281 Y CB 1.153 39.771 38.460 0.264 0.000 1.185 281 Y HN 0.256 nan 8.280 nan 0.000 0.476 282 R N 3.085 123.668 120.500 0.140 0.000 2.388 282 R HA 0.609 4.949 4.340 -0.000 0.000 0.314 282 R C -1.503 174.818 176.300 0.036 0.000 0.959 282 R CA -0.829 55.213 56.100 -0.098 0.000 0.851 282 R CB 2.201 32.484 30.300 -0.028 0.000 1.168 282 R HN 0.506 nan 8.270 nan 0.000 0.472 283 V N 1.967 121.813 119.914 -0.113 0.000 2.789 283 V HA 0.327 4.446 4.120 -0.000 0.000 0.311 283 V C 0.841 176.950 176.094 0.024 0.000 1.073 283 V CA -0.394 61.926 62.300 0.034 0.000 0.921 283 V CB 2.277 34.131 31.823 0.052 0.000 1.009 283 V HN 0.901 nan 8.190 nan 0.000 0.426 284 T N 1.884 116.492 114.554 0.090 0.000 3.129 284 T HA 0.591 4.940 4.350 -0.000 0.000 0.251 284 T C 0.722 175.521 174.700 0.165 0.000 1.117 284 T CA 0.606 62.786 62.100 0.134 0.000 1.034 284 T CB -0.171 68.694 68.868 -0.005 0.000 0.968 284 T HN 1.627 nan 8.240 nan 0.000 0.526 285 G N -1.126 107.732 108.800 0.097 0.000 2.428 285 G HA2 0.552 4.511 3.960 -0.000 0.000 0.305 285 G HA3 0.552 4.511 3.960 -0.000 0.000 0.305 285 G C 0.074 175.035 174.900 0.101 0.000 1.260 285 G CA -0.133 45.062 45.100 0.157 0.000 0.853 285 G HN 0.986 nan 8.290 nan 0.000 0.480 286 G N -0.948 107.964 108.800 0.186 0.000 2.569 286 G HA2 0.224 4.184 3.960 -0.000 0.000 0.259 286 G HA3 0.224 4.184 3.960 -0.000 0.000 0.259 286 G C 0.303 175.235 174.900 0.054 0.000 1.263 286 G CA 1.059 46.271 45.100 0.187 0.000 0.928 286 G HN 2.059 nan 8.290 nan 0.000 0.572 287 I N -2.757 117.829 120.570 0.028 0.000 3.264 287 I HA 0.816 4.986 4.170 -0.000 0.000 0.309 287 I C 0.104 176.223 176.117 0.004 0.000 1.099 287 I CA -1.529 59.816 61.300 0.074 0.000 0.989 287 I CB 1.730 39.794 38.000 0.106 0.000 1.250 287 I HN 0.526 nan 8.210 nan 0.000 0.478 288 L N 1.807 123.098 121.223 0.114 0.000 2.262 288 L HA 0.425 4.765 4.340 -0.000 0.000 0.288 288 L C -1.168 175.617 176.870 -0.142 0.000 1.035 288 L CA -0.021 54.835 54.840 0.025 0.000 0.820 288 L CB 0.731 42.982 42.059 0.319 0.000 1.204 288 L HN 0.593 nan 8.230 nan 0.000 0.424 289 D N 3.874 124.005 120.400 -0.448 0.000 2.408 289 D HA 0.332 4.972 4.640 -0.000 0.000 0.261 289 D C -1.080 174.710 176.300 -0.849 0.000 1.190 289 D CA -0.185 53.487 54.000 -0.547 0.000 0.910 289 D CB 0.587 41.150 40.800 -0.394 0.000 1.097 289 D HN 0.036 nan 8.370 nan 0.000 0.522 290 F N 2.422 121.783 119.950 -0.982 0.000 2.421 290 F HA 0.441 4.968 4.527 -0.000 0.000 0.337 290 F C -0.158 175.078 175.800 -0.940 0.000 1.105 290 F CA -0.596 56.821 58.000 -0.972 0.000 1.049 290 F CB 1.151 39.339 39.000 -1.354 0.000 1.139 290 F HN 0.171 nan 8.300 nan 0.000 0.479 291 Y N 3.481 123.609 120.300 -0.288 0.000 2.393 291 Y HA 0.633 5.183 4.550 -0.000 0.000 0.341 291 Y C -0.349 175.508 175.900 -0.071 0.000 0.988 291 Y CA -0.867 57.125 58.100 -0.180 0.000 1.078 291 Y CB 1.604 40.051 38.460 -0.022 0.000 1.203 291 Y HN 0.319 nan 8.280 nan 0.000 0.453 292 I N 4.636 125.235 120.570 0.048 0.000 2.418 292 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 292 I C -1.441 174.731 176.117 0.091 0.000 1.008 292 I CA -0.642 60.693 61.300 0.058 0.000 1.104 292 I CB 1.263 39.240 38.000 -0.038 0.000 1.264 292 I HN 0.331 nan 8.210 nan 0.000 0.438 293 L N 7.697 129.024 121.223 0.173 0.000 2.342 293 L HA 0.472 4.811 4.340 -0.000 0.000 0.276 293 L C -0.546 176.444 176.870 0.200 0.000 0.997 293 L CA -0.228 54.712 54.840 0.167 0.000 0.838 293 L CB 1.087 43.254 42.059 0.180 0.000 1.224 293 L HN 0.369 nan 8.230 nan 0.000 0.416 294 L N 2.384 123.710 121.223 0.171 0.000 2.399 294 L HA 0.905 5.245 4.340 -0.000 0.000 0.266 294 L C 0.793 177.735 176.870 0.120 0.000 1.114 294 L CA 0.230 55.175 54.840 0.175 0.000 0.804 294 L CB 1.465 43.628 42.059 0.174 0.000 1.146 294 L HN 0.693 nan 8.230 nan 0.000 0.451 295 G N 0.099 108.951 108.800 0.088 0.000 2.698 295 G HA2 0.344 4.304 3.960 -0.000 0.000 0.293 295 G HA3 0.344 4.304 3.960 -0.000 0.000 0.293 295 G C -0.485 174.407 174.900 -0.014 0.000 1.437 295 G CA -0.407 44.708 45.100 0.025 0.000 0.852 295 G HN 0.457 nan 8.290 nan 0.000 0.499 296 D N -0.382 119.995 120.400 -0.038 0.000 2.234 296 D HA 0.081 4.721 4.640 -0.000 0.000 0.205 296 D C 1.585 177.783 176.300 -0.169 0.000 0.962 296 D CA 1.763 55.724 54.000 -0.065 0.000 0.855 296 D CB 0.411 41.191 40.800 -0.034 0.000 0.951 296 D HN 0.603 nan 8.370 nan 0.000 0.500 297 T N -3.729 110.697 114.554 -0.214 0.000 2.901 297 T HA 0.393 4.743 4.350 -0.000 0.000 0.293 297 T C -2.399 172.089 174.700 -0.354 0.000 1.084 297 T CA -1.792 60.065 62.100 -0.405 0.000 1.008 297 T CB 2.450 71.128 68.868 -0.317 0.000 1.170 297 T HN -0.382 nan 8.240 nan 0.000 0.509 298 P HA -0.073 nan 4.420 nan 0.000 0.216 298 P C 1.591 178.592 177.300 -0.499 0.000 1.150 298 P CA 0.839 63.637 63.100 -0.504 0.000 0.837 298 P CB 0.116 31.394 31.700 -0.703 0.000 0.786 299 E N -0.283 119.641 120.200 -0.460 0.000 2.130 299 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 299 E C 2.036 178.582 176.600 -0.090 0.000 0.998 299 E CA 1.256 57.542 56.400 -0.190 0.000 0.806 299 E CB -0.390 29.292 29.700 -0.031 0.000 0.738 299 E HN 0.395 nan 8.360 nan 0.000 0.459 300 Q N 0.071 119.808 119.800 -0.105 0.000 2.123 300 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 300 Q C 2.199 178.183 176.000 -0.026 0.000 0.966 300 Q CA 0.923 56.694 55.803 -0.054 0.000 0.845 300 Q CB 0.288 28.993 28.738 -0.056 0.000 0.907 300 Q HN 0.086 nan 8.270 nan 0.000 0.439 301 V N -0.076 119.820 119.914 -0.031 0.000 2.307 301 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 301 V C 2.277 178.420 176.094 0.082 0.000 1.045 301 V CA 1.457 63.781 62.300 0.040 0.000 1.024 301 V CB -0.463 31.384 31.823 0.040 0.000 0.651 301 V HN 0.235 nan 8.190 nan 0.000 0.449 302 V N -0.380 119.581 119.914 0.078 0.000 2.392 302 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 302 V C 2.477 178.584 176.094 0.022 0.000 1.059 302 V CA 2.116 64.474 62.300 0.097 0.000 1.051 302 V CB -0.737 31.176 31.823 0.150 0.000 0.658 302 V HN 0.599 nan 8.190 nan 0.000 0.455 303 Q N -1.006 118.794 119.800 -0.000 0.000 2.050 303 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 303 Q C 2.486 178.446 176.000 -0.068 0.000 0.980 303 Q CA 1.378 57.160 55.803 -0.034 0.000 0.840 303 Q CB -0.197 28.532 28.738 -0.015 0.000 0.898 303 Q HN 0.579 nan 8.270 nan 0.000 0.424 304 Q N -0.400 119.377 119.800 -0.038 0.000 2.124 304 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 304 Q C 1.829 177.755 176.000 -0.122 0.000 0.977 304 Q CA 1.269 57.042 55.803 -0.051 0.000 0.850 304 Q CB -0.286 28.456 28.738 0.007 0.000 0.901 304 Q HN 0.478 nan 8.270 nan 0.000 0.429 305 Y N 1.418 121.541 120.300 -0.295 0.000 2.163 305 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 305 Y C 2.227 177.822 175.900 -0.508 0.000 1.136 305 Y CA 1.827 59.610 58.100 -0.529 0.000 1.147 305 Y CB -0.164 37.715 38.460 -0.969 0.000 0.987 305 Y HN 0.094 nan 8.280 nan 0.000 0.509 306 Q N -0.374 119.133 119.800 -0.487 0.000 2.170 306 Q HA -0.247 4.093 4.340 -0.000 0.000 0.203 306 Q C 2.243 177.953 176.000 -0.484 0.000 0.976 306 Q CA 1.571 57.052 55.803 -0.536 0.000 0.858 306 Q CB -0.108 28.440 28.738 -0.315 0.000 0.907 306 Q HN 0.454 nan 8.270 nan 0.000 0.433 307 Q N 0.388 119.985 119.800 -0.338 0.000 2.030 307 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 307 Q C 1.861 177.700 176.000 -0.268 0.000 0.986 307 Q CA 1.419 57.078 55.803 -0.242 0.000 0.843 307 Q CB -0.406 28.244 28.738 -0.146 0.000 0.904 307 Q HN 0.367 nan 8.270 nan 0.000 0.420 308 L N -0.887 120.117 121.223 -0.365 0.000 2.017 308 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 308 L C 1.889 178.472 176.870 -0.479 0.000 1.073 308 L CA 1.727 56.321 54.840 -0.410 0.000 0.745 308 L CB -0.525 41.202 42.059 -0.553 0.000 0.894 308 L HN 0.128 nan 8.230 nan 0.000 0.432 309 V N -0.527 118.922 119.914 -0.775 0.000 2.992 309 V HA 0.447 4.567 4.120 -0.000 0.000 0.250 309 V C 0.885 176.497 176.094 -0.804 0.000 1.090 309 V CA 0.634 62.432 62.300 -0.838 0.000 1.101 309 V CB -0.423 30.653 31.823 -1.245 0.000 0.743 309 V HN 0.709 nan 8.190 nan 0.000 0.468 310 G N -0.016 108.196 108.800 -0.980 0.000 2.634 310 G HA2 0.061 4.021 3.960 -0.000 0.000 0.568 310 G HA3 0.061 4.021 3.960 -0.000 0.000 0.568 310 G C -1.143 173.342 174.900 -0.693 0.000 1.495 310 G CA -0.994 43.379 45.100 -1.211 0.000 0.903 310 G HN 0.129 nan 8.290 nan 0.000 0.646 311 L N 3.451 124.324 121.223 -0.584 0.000 2.395 311 L HA 0.492 4.832 4.340 -0.000 0.000 0.269 311 L C -1.296 175.363 176.870 -0.350 0.000 1.133 311 L CA -1.822 52.761 54.840 -0.428 0.000 0.812 311 L CB 1.095 42.882 42.059 -0.453 0.000 1.125 311 L HN 0.405 nan 8.230 nan 0.000 0.452 312 P HA 0.072 nan 4.420 nan 0.000 0.269 312 P C -0.763 176.522 177.300 -0.024 0.000 1.215 312 P CA -0.442 62.584 63.100 -0.125 0.000 0.780 312 P CB 0.686 32.359 31.700 -0.045 0.000 0.898 313 A N 3.053 125.857 122.820 -0.027 0.000 2.483 313 A HA 0.259 4.579 4.320 -0.000 0.000 0.238 313 A C 0.502 178.083 177.584 -0.004 0.000 1.070 313 A CA -0.207 51.845 52.037 0.024 0.000 0.770 313 A CB -0.416 18.549 19.000 -0.059 0.000 1.008 313 A HN 0.633 nan 8.150 nan 0.000 0.497 314 M N 4.792 124.289 119.600 -0.171 0.000 2.162 314 M HA 0.359 4.839 4.480 -0.000 0.000 0.356 314 M C -2.066 174.066 176.300 -0.278 0.000 1.303 314 M CA -1.636 53.452 55.300 -0.354 0.000 1.116 314 M CB 0.680 32.850 32.600 -0.716 0.000 1.632 314 M HN 0.472 nan 8.290 nan 0.000 0.469 315 P HA 0.293 nan 4.420 nan 0.000 0.274 315 P C -1.338 175.830 177.300 -0.220 0.000 1.256 315 P CA -0.539 62.356 63.100 -0.342 0.000 0.795 315 P CB 0.406 31.751 31.700 -0.593 0.000 1.038 316 A N 0.683 123.339 122.820 -0.274 0.000 2.388 316 A HA 0.072 4.392 4.320 -0.000 0.000 0.257 316 A C 1.093 178.545 177.584 -0.220 0.000 1.095 316 A CA -0.290 51.621 52.037 -0.209 0.000 0.791 316 A CB -0.624 18.166 19.000 -0.350 0.000 1.029 316 A HN 0.666 nan 8.150 nan 0.000 0.489 317 Y N 1.842 122.033 120.300 -0.181 0.000 2.139 317 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 317 Y C 2.171 177.956 175.900 -0.191 0.000 1.179 317 Y CA 3.069 60.996 58.100 -0.287 0.000 1.161 317 Y CB -0.116 38.051 38.460 -0.488 0.000 0.970 317 Y HN 0.887 nan 8.280 nan 0.000 0.511 318 W N 0.231 121.533 121.300 0.003 0.000 2.421 318 W HA -0.159 4.501 4.660 -0.000 0.000 0.270 318 W C 1.070 177.478 176.519 -0.184 0.000 1.233 318 W CA 0.948 58.257 57.345 -0.061 0.000 1.226 318 W CB -1.255 28.184 29.460 -0.035 0.000 1.121 318 W HN 0.142 nan 8.180 nan 0.000 0.579 319 N N 1.951 120.110 118.700 -0.902 0.000 2.272 319 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 319 N C 1.788 177.035 175.510 -0.437 0.000 1.014 319 N CA 1.815 54.345 53.050 -0.866 0.000 0.870 319 N CB -0.876 37.185 38.487 -0.709 0.000 0.975 319 N HN 0.343 nan 8.380 nan 0.000 0.433 320 L N -0.496 120.501 121.223 -0.376 0.000 2.509 320 L HA 0.194 4.533 4.340 -0.000 0.000 0.222 320 L C 1.345 178.064 176.870 -0.253 0.000 1.123 320 L CA -0.262 54.403 54.840 -0.292 0.000 0.856 320 L CB -0.556 41.275 42.059 -0.380 0.000 0.985 320 L HN 0.016 nan 8.230 nan 0.000 0.456 321 G N -0.331 108.349 108.800 -0.199 0.000 2.569 321 G HA2 0.125 4.085 3.960 -0.000 0.000 0.249 321 G HA3 0.125 4.085 3.960 -0.000 0.000 0.249 321 G C -0.745 174.220 174.900 0.108 0.000 1.216 321 G CA -0.412 44.656 45.100 -0.054 0.000 0.845 321 G HN -0.071 nan 8.290 nan 0.000 0.568 322 F N 0.317 120.387 119.950 0.200 0.000 2.518 322 F HA 0.306 4.833 4.527 -0.000 0.000 0.359 322 F C 0.697 176.586 175.800 0.148 0.000 1.118 322 F CA 0.019 58.108 58.000 0.147 0.000 1.287 322 F CB 0.796 39.950 39.000 0.257 0.000 1.132 322 F HN 0.375 nan 8.300 nan 0.000 0.587 323 Q N 6.000 125.295 119.800 -0.843 0.000 2.353 323 Q HA 0.546 4.885 4.340 -0.000 0.000 0.268 323 Q C -1.348 174.164 176.000 -0.812 0.000 1.045 323 Q CA -0.963 54.501 55.803 -0.565 0.000 0.811 323 Q CB 2.841 31.311 28.738 -0.447 0.000 1.305 323 Q HN 0.628 nan 8.270 nan 0.000 0.447 324 L N 0.945 121.986 121.223 -0.304 0.000 2.334 324 L HA 0.749 5.088 4.340 -0.000 0.000 0.273 324 L C -0.264 176.636 176.870 0.049 0.000 1.013 324 L CA -0.489 54.245 54.840 -0.177 0.000 0.816 324 L CB 2.033 44.007 42.059 -0.143 0.000 1.278 324 L HN 0.610 nan 8.230 nan 0.000 0.431 325 S N 1.811 117.603 115.700 0.152 0.000 2.578 325 S HA 0.740 5.210 4.470 -0.000 0.000 0.272 325 S C -1.745 173.023 174.600 0.280 0.000 1.145 325 S CA -0.783 57.609 58.200 0.319 0.000 0.835 325 S CB 1.745 65.052 63.200 0.179 0.000 1.104 325 S HN 0.764 nan 8.310 nan 0.000 0.458 326 R N 1.147 121.742 120.500 0.158 0.000 2.664 326 R HA 0.452 4.792 4.340 -0.000 0.000 0.266 326 R C -2.174 174.127 176.300 0.001 0.000 1.046 326 R CA -0.859 55.128 56.100 -0.188 0.000 0.885 326 R CB 0.042 29.974 30.300 -0.614 0.000 1.254 326 R HN 0.518 nan 8.270 nan 0.000 0.465 327 W N 4.604 125.799 121.300 -0.176 0.000 2.304 327 W HA 0.327 4.986 4.660 -0.000 0.000 0.313 327 W C -0.285 176.104 176.519 -0.218 0.000 1.323 327 W CA 0.010 57.316 57.345 -0.064 0.000 1.223 327 W CB -0.005 29.474 29.460 0.033 0.000 1.237 327 W HN 0.896 nan 8.180 nan 0.000 0.535 328 N N 5.130 123.863 118.700 0.055 0.000 2.522 328 N HA -0.288 4.452 4.740 -0.000 0.000 0.281 328 N C -0.344 175.053 175.510 -0.188 0.000 1.267 328 N CA 0.655 53.611 53.050 -0.157 0.000 0.675 328 N CB -1.461 36.733 38.487 -0.487 0.000 0.890 328 N HN 0.519 nan 8.380 nan 0.000 0.542 329 Y N 1.301 121.615 120.300 0.024 0.000 2.544 329 Y HA 0.064 4.614 4.550 -0.000 0.000 0.286 329 Y C 2.173 178.076 175.900 0.005 0.000 1.141 329 Y CA 1.871 59.992 58.100 0.035 0.000 1.299 329 Y CB -0.218 38.291 38.460 0.080 0.000 1.030 329 Y HN 0.736 nan 8.280 nan 0.000 0.543 330 K N 0.080 120.551 120.400 0.118 0.000 4.018 330 K HA -0.271 4.049 4.320 -0.000 0.000 0.416 330 K C 0.677 177.318 176.600 0.069 0.000 0.464 330 K CA 1.414 57.732 56.287 0.052 0.000 1.816 330 K CB -2.305 30.199 32.500 0.007 0.000 0.928 330 K HN 0.707 nan 8.250 nan 0.000 0.497 331 S N -1.819 113.932 115.700 0.085 0.000 2.550 331 S HA 0.670 5.139 4.470 -0.000 0.000 0.270 331 S C 0.463 175.053 174.600 -0.016 0.000 1.145 331 S CA -0.003 58.219 58.200 0.038 0.000 0.852 331 S CB 1.677 64.887 63.200 0.018 0.000 1.119 331 S HN 1.436 nan 8.310 nan 0.000 0.465 332 L N 1.425 122.607 121.223 -0.068 0.000 2.187 332 L HA -0.006 4.334 4.340 -0.000 0.000 0.213 332 L C 1.425 178.157 176.870 -0.231 0.000 1.100 332 L CA 2.163 56.880 54.840 -0.205 0.000 0.765 332 L CB -1.054 40.890 42.059 -0.192 0.000 0.904 332 L HN 0.831 nan 8.230 nan 0.000 0.437 333 D N -1.221 119.109 120.400 -0.117 0.000 2.117 333 D HA -0.149 4.490 4.640 -0.000 0.000 0.198 333 D C 2.304 178.554 176.300 -0.083 0.000 0.982 333 D CA 1.528 55.477 54.000 -0.086 0.000 0.828 333 D CB -0.313 40.465 40.800 -0.037 0.000 0.967 333 D HN 0.251 nan 8.370 nan 0.000 0.464 334 V N 0.543 120.427 119.914 -0.051 0.000 2.307 334 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 334 V C 2.598 178.627 176.094 -0.109 0.000 1.045 334 V CA 0.928 63.224 62.300 -0.005 0.000 1.024 334 V CB -0.578 31.324 31.823 0.130 0.000 0.651 334 V HN 0.069 nan 8.190 nan 0.000 0.449 335 V N 0.034 119.773 119.914 -0.291 0.000 2.250 335 V HA -0.386 3.734 4.120 -0.000 0.000 0.250 335 V C 2.465 178.352 176.094 -0.345 0.000 1.060 335 V CA 2.466 64.404 62.300 -0.603 0.000 1.030 335 V CB -0.863 30.528 31.823 -0.720 0.000 0.643 335 V HN 0.516 nan 8.190 nan 0.000 0.445 336 K N -0.071 120.147 120.400 -0.303 0.000 2.032 336 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 336 K C 2.516 179.105 176.600 -0.018 0.000 1.048 336 K CA 2.085 58.314 56.287 -0.096 0.000 0.927 336 K CB -0.462 31.987 32.500 -0.085 0.000 0.712 336 K HN 0.679 nan 8.250 nan 0.000 0.441 337 E N 0.825 120.996 120.200 -0.049 0.000 2.118 337 E HA -0.146 4.203 4.350 -0.000 0.000 0.195 337 E C 2.032 178.619 176.600 -0.022 0.000 0.992 337 E CA 1.758 58.142 56.400 -0.027 0.000 0.804 337 E CB -1.007 28.672 29.700 -0.035 0.000 0.741 337 E HN 0.140 nan 8.360 nan 0.000 0.458 338 V N 0.600 120.488 119.914 -0.043 0.000 2.307 338 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 338 V C 2.677 178.779 176.094 0.014 0.000 1.045 338 V CA 1.670 63.958 62.300 -0.021 0.000 1.024 338 V CB -0.194 31.638 31.823 0.014 0.000 0.651 338 V HN 0.517 nan 8.190 nan 0.000 0.449 339 V N 1.433 121.385 119.914 0.064 0.000 2.255 339 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 339 V C 2.648 178.835 176.094 0.155 0.000 1.051 339 V CA 2.748 65.163 62.300 0.192 0.000 1.018 339 V CB -0.968 31.019 31.823 0.273 0.000 0.641 339 V HN 0.745 nan 8.190 nan 0.000 0.445 340 R N 1.932 122.483 120.500 0.085 0.000 2.115 340 R HA -0.163 4.176 4.340 -0.000 0.000 0.230 340 R C 2.254 178.586 176.300 0.053 0.000 1.111 340 R CA 1.746 57.880 56.100 0.055 0.000 0.976 340 R CB -0.694 29.627 30.300 0.035 0.000 0.870 340 R HN 0.628 nan 8.270 nan 0.000 0.445 341 R N 0.105 120.630 120.500 0.041 0.000 2.148 341 R HA 0.081 4.421 4.340 -0.000 0.000 0.223 341 R C 1.392 177.718 176.300 0.043 0.000 1.088 341 R CA 1.422 57.541 56.100 0.031 0.000 0.985 341 R CB -0.421 29.889 30.300 0.017 0.000 0.880 341 R HN 0.268 nan 8.270 nan 0.000 0.451 342 N N 0.831 119.560 118.700 0.049 0.000 2.251 342 N HA -0.004 4.735 4.740 -0.000 0.000 0.181 342 N C 1.651 177.256 175.510 0.159 0.000 1.019 342 N CA 0.681 53.758 53.050 0.044 0.000 0.862 342 N CB -0.042 38.354 38.487 -0.151 0.000 0.992 342 N HN 0.287 nan 8.380 nan 0.000 0.429 343 R N 1.337 121.979 120.500 0.237 0.000 2.091 343 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 343 R C 1.982 178.344 176.300 0.103 0.000 1.136 343 R CA 1.165 57.380 56.100 0.192 0.000 0.959 343 R CB -0.287 30.073 30.300 0.100 0.000 0.856 343 R HN 0.423 nan 8.270 nan 0.000 0.437 344 E N 0.520 120.765 120.200 0.075 0.000 2.110 344 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 344 E C 1.515 178.140 176.600 0.041 0.000 0.988 344 E CA 1.115 57.544 56.400 0.048 0.000 0.804 344 E CB 0.014 29.736 29.700 0.036 0.000 0.745 344 E HN 0.360 nan 8.360 nan 0.000 0.458 345 A N 0.003 122.851 122.820 0.047 0.000 2.235 345 A HA 0.218 4.538 4.320 -0.000 0.000 0.208 345 A C 1.679 179.281 177.584 0.030 0.000 1.172 345 A CA 0.879 52.937 52.037 0.034 0.000 0.786 345 A CB -0.476 18.545 19.000 0.036 0.000 0.804 345 A HN 0.478 nan 8.150 nan 0.000 0.479 346 G N -0.630 108.196 108.800 0.044 0.000 2.153 346 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.252 346 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.252 346 G C 0.034 174.947 174.900 0.021 0.000 0.994 346 G CA 0.148 45.266 45.100 0.029 0.000 0.698 346 G HN 0.340 nan 8.290 nan 0.000 0.521 347 I N 1.454 122.060 120.570 0.060 0.000 2.517 347 I HA 0.179 4.349 4.170 -0.000 0.000 0.285 347 I C -1.808 174.388 176.117 0.131 0.000 1.106 347 I CA -2.339 58.992 61.300 0.052 0.000 1.402 347 I CB 0.409 38.435 38.000 0.043 0.000 1.399 347 I HN -0.090 nan 8.210 nan 0.000 0.535 348 P HA 0.212 nan 4.420 nan 0.000 0.276 348 P C -0.908 176.503 177.300 0.185 0.000 1.264 348 P CA 0.128 63.105 63.100 -0.204 0.000 0.769 348 P CB -0.069 31.166 31.700 -0.774 0.000 0.840 349 F N 0.406 120.401 119.950 0.075 0.000 2.605 349 F HA 0.473 5.000 4.527 -0.000 0.000 0.320 349 F C -0.046 175.882 175.800 0.213 0.000 1.159 349 F CA -0.891 57.289 58.000 0.299 0.000 0.999 349 F CB 1.336 40.578 39.000 0.403 0.000 1.258 349 F HN -0.019 nan 8.300 nan 0.000 0.464 350 D N 1.131 121.670 120.400 0.232 0.000 2.216 350 D HA 0.057 4.697 4.640 -0.000 0.000 0.208 350 D C 0.671 176.960 176.300 -0.018 0.000 0.960 350 D CA 1.761 55.811 54.000 0.083 0.000 0.861 350 D CB 0.499 41.445 40.800 0.242 0.000 0.985 350 D HN 0.674 nan 8.370 nan 0.000 0.493 351 T N -1.213 113.405 114.554 0.106 0.000 2.900 351 T HA 0.510 4.859 4.350 -0.000 0.000 0.295 351 T C -1.503 173.324 174.700 0.211 0.000 1.044 351 T CA -0.878 61.285 62.100 0.106 0.000 0.995 351 T CB 1.846 70.805 68.868 0.152 0.000 1.072 351 T HN -0.207 nan 8.240 nan 0.000 0.473 352 Q N 2.686 122.616 119.800 0.217 0.000 2.341 352 Q HA 0.692 5.032 4.340 -0.000 0.000 0.268 352 Q C -0.760 175.387 176.000 0.245 0.000 1.013 352 Q CA -0.561 55.424 55.803 0.303 0.000 0.798 352 Q CB 1.065 30.041 28.738 0.396 0.000 1.253 352 Q HN 0.985 nan 8.270 nan 0.000 0.457 353 V N 2.324 122.354 119.914 0.193 0.000 2.863 353 V HA 0.852 4.971 4.120 -0.000 0.000 0.307 353 V C -0.144 176.132 176.094 0.303 0.000 1.061 353 V CA -0.279 62.116 62.300 0.159 0.000 1.024 353 V CB 2.185 34.053 31.823 0.075 0.000 1.049 353 V HN 0.717 nan 8.190 nan 0.000 0.471 354 T N 2.825 117.540 114.554 0.268 0.000 3.031 354 T HA 0.369 4.718 4.350 -0.000 0.000 0.305 354 T C -0.619 174.334 174.700 0.422 0.000 0.985 354 T CA -0.355 61.976 62.100 0.385 0.000 1.008 354 T CB 0.630 69.700 68.868 0.337 0.000 1.005 354 T HN 0.987 nan 8.240 nan 0.000 0.444 355 D N 1.788 122.471 120.400 0.472 0.000 2.356 355 D HA 0.177 4.817 4.640 -0.000 0.000 0.258 355 D C 2.003 178.451 176.300 0.246 0.000 1.279 355 D CA -0.422 53.765 54.000 0.312 0.000 1.016 355 D CB 0.653 41.663 40.800 0.350 0.000 1.107 355 D HN 0.673 nan 8.370 nan 0.000 0.544 356 I N -1.225 119.306 120.570 -0.065 0.000 2.657 356 I HA -0.207 3.963 4.170 -0.000 0.000 0.261 356 I C 1.344 177.370 176.117 -0.151 0.000 1.212 356 I CA 1.030 62.184 61.300 -0.242 0.000 1.453 356 I CB -0.470 37.254 38.000 -0.460 0.000 1.092 356 I HN 0.191 nan 8.210 nan 0.000 0.452 357 D N 1.933 122.372 120.400 0.064 0.000 2.263 357 D HA -0.298 4.342 4.640 -0.000 0.000 0.208 357 D C 2.071 178.431 176.300 0.101 0.000 0.971 357 D CA 1.500 55.553 54.000 0.088 0.000 0.867 357 D CB -0.893 39.997 40.800 0.149 0.000 0.929 357 D HN 0.752 nan 8.370 nan 0.000 0.492 358 Y N 1.003 121.379 120.300 0.127 0.000 2.333 358 Y HA 0.065 4.615 4.550 -0.000 0.000 0.290 358 Y C 1.321 177.298 175.900 0.127 0.000 1.144 358 Y CA -0.209 57.980 58.100 0.148 0.000 1.228 358 Y CB -0.621 37.971 38.460 0.221 0.000 0.985 358 Y HN -0.179 nan 8.280 nan 0.000 0.542 359 M N 1.562 120.799 119.600 -0.605 0.000 2.163 359 M HA 0.364 4.844 4.480 -0.000 0.000 0.305 359 M C 0.499 176.710 176.300 -0.149 0.000 1.166 359 M CA 0.463 55.468 55.300 -0.492 0.000 1.132 359 M CB 0.243 32.455 32.600 -0.646 0.000 1.413 359 M HN 0.286 nan 8.290 nan 0.000 0.478 360 E N 0.233 120.390 120.200 -0.071 0.000 2.105 360 E HA 0.426 4.776 4.350 -0.000 0.000 0.285 360 E C 0.400 176.983 176.600 -0.028 0.000 1.055 360 E CA 0.150 56.543 56.400 -0.011 0.000 0.843 360 E CB -0.851 28.870 29.700 0.035 0.000 1.067 360 E HN 0.895 nan 8.360 nan 0.000 0.398 361 D N 2.644 123.036 120.400 -0.014 0.000 2.701 361 D HA -0.271 4.369 4.640 -0.000 0.000 0.235 361 D C 0.774 177.063 176.300 -0.018 0.000 1.155 361 D CA 1.356 55.355 54.000 -0.003 0.000 0.649 361 D CB -2.418 38.387 40.800 0.008 0.000 1.050 361 D HN 1.078 nan 8.370 nan 0.000 0.425 362 K N -3.437 116.925 120.400 -0.062 0.000 3.020 362 K HA -0.152 4.168 4.320 -0.000 0.000 0.266 362 K C 0.732 177.268 176.600 -0.107 0.000 1.067 362 K CA 1.460 57.689 56.287 -0.096 0.000 0.780 362 K CB -2.486 30.022 32.500 0.013 0.000 1.220 362 K HN 1.716 nan 8.250 nan 0.000 0.483 363 K N 1.332 121.661 120.400 -0.119 0.000 2.227 363 K HA 0.452 4.772 4.320 -0.000 0.000 0.280 363 K C 0.051 176.538 176.600 -0.188 0.000 1.041 363 K CA 0.329 56.554 56.287 -0.104 0.000 0.905 363 K CB 0.100 32.576 32.500 -0.040 0.000 1.068 363 K HN 0.333 nan 8.250 nan 0.000 0.470 364 D N 0.696 120.971 120.400 -0.207 0.000 2.506 364 D HA 0.386 5.026 4.640 -0.000 0.000 0.234 364 D C 0.424 176.507 176.300 -0.362 0.000 1.143 364 D CA 0.691 54.429 54.000 -0.435 0.000 0.871 364 D CB -0.667 39.871 40.800 -0.437 0.000 1.190 364 D HN 1.126 nan 8.370 nan 0.000 0.459 365 F N -1.305 118.339 119.950 -0.511 0.000 3.018 365 F HA -0.058 4.469 4.527 -0.000 0.000 0.287 365 F C 1.217 176.707 175.800 -0.516 0.000 0.813 365 F CA 1.188 58.644 58.000 -0.907 0.000 1.209 365 F CB -2.104 36.656 39.000 -0.400 0.000 1.321 365 F HN 1.105 nan 8.300 nan 0.000 0.477 366 T N -2.838 111.622 114.554 -0.158 0.000 2.864 366 T HA 0.945 5.295 4.350 -0.000 0.000 0.289 366 T C -0.677 174.216 174.700 0.321 0.000 1.082 366 T CA -0.243 61.974 62.100 0.194 0.000 1.009 366 T CB 1.229 70.153 68.868 0.093 0.000 1.234 366 T HN 1.148 nan 8.240 nan 0.000 0.526 367 Y N -0.133 120.373 120.300 0.343 0.000 2.562 367 Y HA 0.682 5.232 4.550 -0.000 0.000 0.345 367 Y C -0.748 175.262 175.900 0.183 0.000 1.045 367 Y CA -1.520 56.771 58.100 0.320 0.000 1.028 367 Y CB 1.094 39.844 38.460 0.484 0.000 1.297 367 Y HN 0.800 nan 8.280 nan 0.000 0.463 368 D N 2.732 123.215 120.400 0.139 0.000 2.346 368 D HA 0.378 5.018 4.640 -0.000 0.000 0.267 368 D C 1.287 177.644 176.300 0.096 0.000 1.320 368 D CA 0.933 54.988 54.000 0.092 0.000 0.951 368 D CB 1.124 41.965 40.800 0.068 0.000 1.079 368 D HN 0.941 nan 8.370 nan 0.000 0.509 369 Q N 2.963 122.815 119.800 0.086 0.000 2.364 369 Q HA -0.003 4.337 4.340 -0.000 0.000 0.209 369 Q C 1.920 177.953 176.000 0.055 0.000 0.977 369 Q CA 1.846 57.694 55.803 0.075 0.000 0.885 369 Q CB -0.916 27.865 28.738 0.071 0.000 0.941 369 Q HN 0.637 nan 8.270 nan 0.000 0.464 370 V N -0.735 119.208 119.914 0.049 0.000 2.465 370 V HA 0.483 4.603 4.120 -0.000 0.000 0.230 370 V C 2.632 178.745 176.094 0.032 0.000 1.084 370 V CA 1.635 63.957 62.300 0.036 0.000 1.092 370 V CB -1.248 30.593 31.823 0.031 0.000 0.730 370 V HN 0.573 nan 8.190 nan 0.000 0.491 371 A N -0.982 121.858 122.820 0.034 0.000 2.066 371 A HA 0.267 4.587 4.320 -0.000 0.000 0.218 371 A C 1.857 179.458 177.584 0.028 0.000 1.157 371 A CA 1.988 54.042 52.037 0.028 0.000 0.670 371 A CB -0.809 18.210 19.000 0.031 0.000 0.804 371 A HN 1.554 nan 8.150 nan 0.000 0.453 372 F N 0.119 120.098 119.950 0.048 0.000 2.925 372 F HA 0.561 5.088 4.527 -0.000 0.000 0.302 372 F C 0.650 176.477 175.800 0.046 0.000 1.189 372 F CA -0.041 57.988 58.000 0.049 0.000 1.346 372 F CB -1.968 37.100 39.000 0.113 0.000 0.954 372 F HN 0.628 nan 8.300 nan 0.000 0.506 373 N N 0.372 119.090 118.700 0.031 0.000 2.468 373 N HA 0.478 5.218 4.740 -0.000 0.000 0.265 373 N C 1.401 176.923 175.510 0.020 0.000 1.199 373 N CA 0.251 53.319 53.050 0.030 0.000 0.928 373 N CB 0.310 38.812 38.487 0.025 0.000 1.059 373 N HN 2.056 nan 8.380 nan 0.000 0.467 374 G N -1.859 106.960 108.800 0.031 0.000 2.131 374 G HA2 0.039 3.998 3.960 -0.000 0.000 0.223 374 G HA3 0.039 3.998 3.960 -0.000 0.000 0.223 374 G C 1.416 176.346 174.900 0.050 0.000 0.990 374 G CA 0.882 46.002 45.100 0.034 0.000 0.671 374 G HN 1.877 nan 8.290 nan 0.000 0.521 375 L N -0.532 120.720 121.223 0.049 0.000 1.989 375 L HA 0.155 4.495 4.340 -0.000 0.000 0.211 375 L C 1.004 177.904 176.870 0.049 0.000 1.071 375 L CA 3.319 58.196 54.840 0.060 0.000 0.749 375 L CB -2.349 39.759 42.059 0.081 0.000 0.890 375 L HN 0.372 nan 8.230 nan 0.000 0.431 376 P HA -0.095 nan 4.420 nan 0.000 0.221 376 P C 1.486 178.775 177.300 -0.019 0.000 1.150 376 P CA 1.025 64.108 63.100 -0.029 0.000 0.800 376 P CB 0.007 31.680 31.700 -0.044 0.000 0.787 377 Q N -1.560 118.250 119.800 0.016 0.000 2.083 377 Q HA -0.093 4.246 4.340 -0.000 0.000 0.198 377 Q C 1.887 177.906 176.000 0.032 0.000 0.969 377 Q CA 1.233 57.049 55.803 0.021 0.000 0.838 377 Q CB -1.263 27.496 28.738 0.035 0.000 0.900 377 Q HN 0.247 nan 8.270 nan 0.000 0.436 378 F N 0.689 120.586 119.950 -0.089 0.000 2.102 378 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 378 F C 2.051 177.746 175.800 -0.175 0.000 1.105 378 F CA 1.407 59.336 58.000 -0.118 0.000 1.239 378 F CB -0.682 38.237 39.000 -0.136 0.000 0.991 378 F HN 0.034 nan 8.300 nan 0.000 0.474 379 V N 0.722 120.453 119.914 -0.305 0.000 2.282 379 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 379 V C 2.248 178.197 176.094 -0.242 0.000 1.057 379 V CA 3.913 65.950 62.300 -0.438 0.000 1.032 379 V CB -1.958 29.706 31.823 -0.266 0.000 0.645 379 V HN 0.522 nan 8.190 nan 0.000 0.447 380 Q N -0.199 119.551 119.800 -0.083 0.000 2.096 380 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 380 Q C 2.060 178.022 176.000 -0.063 0.000 0.982 380 Q CA 3.531 59.332 55.803 -0.003 0.000 0.850 380 Q CB -2.014 26.710 28.738 -0.024 0.000 0.901 380 Q HN 1.107 nan 8.270 nan 0.000 0.422 381 D N -0.232 120.078 120.400 -0.150 0.000 2.144 381 D HA 0.163 4.803 4.640 -0.000 0.000 0.199 381 D C 2.275 178.499 176.300 -0.127 0.000 0.984 381 D CA 3.049 56.986 54.000 -0.105 0.000 0.834 381 D CB -0.930 39.801 40.800 -0.116 0.000 0.955 381 D HN 0.993 nan 8.370 nan 0.000 0.465 382 L N -0.238 120.725 121.223 -0.435 0.000 1.994 382 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 382 L C 2.639 179.336 176.870 -0.290 0.000 1.071 382 L CA 2.857 57.420 54.840 -0.461 0.000 0.745 382 L CB -2.071 39.581 42.059 -0.678 0.000 0.892 382 L HN 0.676 nan 8.230 nan 0.000 0.431 383 H N -0.286 118.680 119.070 -0.174 0.000 2.387 383 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 383 H C 2.171 177.435 175.328 -0.107 0.000 1.099 383 H CA 1.457 57.424 56.048 -0.135 0.000 1.315 383 H CB -0.030 29.657 29.762 -0.126 0.000 1.380 383 H HN 0.607 nan 8.280 nan 0.000 0.513 384 D N -0.160 120.249 120.400 0.015 0.000 2.218 384 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 384 D C 1.076 177.261 176.300 -0.191 0.000 0.976 384 D CA 1.285 55.235 54.000 -0.084 0.000 0.853 384 D CB -0.143 40.590 40.800 -0.111 0.000 0.939 384 D HN 0.594 nan 8.370 nan 0.000 0.481 385 H N -1.294 117.708 119.070 -0.114 0.000 2.529 385 H HA 0.350 4.906 4.556 -0.000 0.000 0.277 385 H C 1.269 176.522 175.328 -0.125 0.000 1.004 385 H CA 0.442 56.419 56.048 -0.120 0.000 1.167 385 H CB 0.537 30.208 29.762 -0.153 0.000 1.445 385 H HN 0.086 nan 8.280 nan 0.000 0.554 386 G N 0.805 109.589 108.800 -0.026 0.000 2.176 386 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 386 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 386 G C 0.059 174.899 174.900 -0.101 0.000 1.024 386 G CA 0.060 45.131 45.100 -0.048 0.000 0.755 386 G HN 0.455 nan 8.290 nan 0.000 0.507 387 Q N -0.872 118.828 119.800 -0.167 0.000 2.240 387 Q HA 0.709 5.049 4.340 -0.000 0.000 0.260 387 Q C 0.088 175.881 176.000 -0.345 0.000 1.018 387 Q CA -0.826 54.825 55.803 -0.254 0.000 0.898 387 Q CB 1.300 29.843 28.738 -0.327 0.000 1.301 387 Q HN 0.143 nan 8.270 nan 0.000 0.469 388 K N 0.547 120.754 120.400 -0.323 0.000 2.350 388 K HA 0.424 4.744 4.320 -0.000 0.000 0.241 388 K C -1.533 174.990 176.600 -0.127 0.000 0.994 388 K CA -0.761 55.291 56.287 -0.392 0.000 0.839 388 K CB 1.726 33.783 32.500 -0.738 0.000 1.244 388 K HN 0.541 nan 8.250 nan 0.000 0.443 389 Y N 0.494 120.673 120.300 -0.201 0.000 2.329 389 Y HA 0.335 4.884 4.550 -0.000 0.000 0.328 389 Y C -1.344 174.650 175.900 0.156 0.000 0.992 389 Y CA -0.828 57.262 58.100 -0.017 0.000 1.151 389 Y CB 1.180 39.610 38.460 -0.051 0.000 1.150 389 Y HN 0.195 nan 8.280 nan 0.000 0.450 390 V N 8.048 127.813 119.914 -0.249 0.000 2.459 390 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 390 V C -0.047 175.816 176.094 -0.385 0.000 1.029 390 V CA -0.736 61.494 62.300 -0.117 0.000 0.874 390 V CB 1.328 33.266 31.823 0.192 0.000 0.985 390 V HN 0.685 nan 8.190 nan 0.000 0.438 391 I N 2.549 122.945 120.570 -0.290 0.000 2.562 391 I HA 0.654 4.823 4.170 -0.000 0.000 0.301 391 I C -0.228 175.856 176.117 -0.054 0.000 1.003 391 I CA -0.697 60.419 61.300 -0.307 0.000 1.127 391 I CB 1.743 39.481 38.000 -0.437 0.000 1.304 391 I HN 0.533 nan 8.210 nan 0.000 0.446 392 I N 5.095 125.664 120.570 -0.002 0.000 2.581 392 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 392 I C -0.993 174.992 176.117 -0.219 0.000 1.047 392 I CA -0.422 60.727 61.300 -0.251 0.000 1.374 392 I CB 0.859 38.486 38.000 -0.621 0.000 1.423 392 I HN 0.547 nan 8.210 nan 0.000 0.549 393 L N 6.678 127.704 121.223 -0.328 0.000 2.438 393 L HA 0.453 4.793 4.340 -0.000 0.000 0.270 393 L C -1.225 175.493 176.870 -0.254 0.000 0.972 393 L CA -0.852 53.797 54.840 -0.318 0.000 0.831 393 L CB 1.875 43.749 42.059 -0.308 0.000 1.273 393 L HN 0.549 nan 8.230 nan 0.000 0.405 394 D N 3.595 123.877 120.400 -0.195 0.000 2.229 394 D HA 0.293 4.933 4.640 -0.000 0.000 0.249 394 D C -1.758 174.587 176.300 0.076 0.000 1.027 394 D CA -1.330 52.640 54.000 -0.050 0.000 0.923 394 D CB 2.138 42.940 40.800 0.004 0.000 1.174 394 D HN 0.256 nan 8.370 nan 0.000 0.443 395 P HA 0.016 nan 4.420 nan 0.000 0.220 395 P C 0.067 177.589 177.300 0.370 0.000 1.152 395 P CA 0.546 63.929 63.100 0.473 0.000 0.812 395 P CB 0.217 32.339 31.700 0.703 0.000 0.792 396 A N 0.948 123.868 122.820 0.167 0.000 2.492 396 A HA 0.277 4.596 4.320 -0.000 0.000 0.254 396 A C 0.109 177.639 177.584 -0.090 0.000 1.091 396 A CA 0.349 52.320 52.037 -0.111 0.000 0.768 396 A CB -0.641 18.204 19.000 -0.259 0.000 1.028 396 A HN -0.015 nan 8.150 nan 0.000 0.498 397 I N 2.372 122.838 120.570 -0.173 0.000 2.362 397 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 397 I C 0.834 176.760 176.117 -0.318 0.000 0.994 397 I CA -0.165 61.089 61.300 -0.075 0.000 1.158 397 I CB 1.179 39.306 38.000 0.212 0.000 1.315 397 I HN 0.631 nan 8.210 nan 0.000 0.451 398 S N 5.341 120.901 115.700 -0.234 0.000 2.537 398 S HA 0.134 4.604 4.470 -0.000 0.000 0.286 398 S C 1.500 175.757 174.600 -0.572 0.000 1.299 398 S CA -0.433 57.571 58.200 -0.326 0.000 1.067 398 S CB 0.169 63.259 63.200 -0.183 0.000 0.864 398 S HN 0.503 nan 8.310 nan 0.000 0.494 399 I N 3.657 123.811 120.570 -0.693 0.000 3.001 399 I HA 0.290 4.460 4.170 -0.000 0.000 0.268 399 I C 1.262 177.073 176.117 -0.509 0.000 1.267 399 I CA 0.004 60.706 61.300 -0.996 0.000 1.472 399 I CB -0.862 36.742 38.000 -0.660 0.000 1.089 399 I HN 0.548 nan 8.210 nan 0.000 0.468 400 G N 1.087 109.717 108.800 -0.284 0.000 2.570 400 G HA2 0.569 4.529 3.960 -0.000 0.000 0.276 400 G HA3 0.569 4.529 3.960 -0.000 0.000 0.276 400 G C -0.032 174.853 174.900 -0.025 0.000 1.346 400 G CA 0.003 45.034 45.100 -0.116 0.000 1.034 400 G HN 0.624 nan 8.290 nan 0.000 0.512 401 R N -1.729 118.776 120.500 0.009 0.000 2.598 401 R HA 0.836 5.175 4.340 -0.000 0.000 0.279 401 R C 0.766 177.090 176.300 0.040 0.000 0.984 401 R CA 0.385 56.512 56.100 0.045 0.000 0.999 401 R CB -0.532 29.793 30.300 0.042 0.000 1.114 401 R HN 1.327 nan 8.270 nan 0.000 0.493 402 R N 0.212 120.746 120.500 0.057 0.000 2.893 402 R HA 0.522 4.861 4.340 -0.000 0.000 0.279 402 R C 1.875 178.201 176.300 0.043 0.000 1.076 402 R CA 0.851 56.984 56.100 0.055 0.000 1.203 402 R CB -0.687 29.655 30.300 0.070 0.000 1.137 402 R HN 1.810 nan 8.270 nan 0.000 0.541 403 A N 0.414 123.260 122.820 0.042 0.000 1.837 403 A HA -0.122 4.197 4.320 -0.000 0.000 0.216 403 A C 2.161 179.766 177.584 0.034 0.000 1.210 403 A CA 2.322 54.381 52.037 0.035 0.000 0.632 403 A CB -1.415 17.607 19.000 0.038 0.000 0.843 403 A HN 1.743 nan 8.150 nan 0.000 0.448 404 N N -0.168 118.554 118.700 0.037 0.000 2.747 404 N HA 0.353 5.092 4.740 -0.000 0.000 0.252 404 N C 1.574 177.105 175.510 0.035 0.000 1.352 404 N CA 1.298 54.368 53.050 0.034 0.000 0.960 404 N CB -1.496 37.013 38.487 0.035 0.000 1.303 404 N HN 1.869 nan 8.380 nan 0.000 0.518 405 G N -2.496 106.325 108.800 0.034 0.000 2.228 405 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.270 405 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.270 405 G C 0.803 175.727 174.900 0.041 0.000 0.976 405 G CA 1.357 46.478 45.100 0.034 0.000 0.636 405 G HN 1.530 nan 8.290 nan 0.000 0.542 406 T N 0.175 114.756 114.554 0.046 0.000 2.900 406 T HA 0.735 5.085 4.350 -0.000 0.000 0.307 406 T C 0.986 175.725 174.700 0.064 0.000 1.065 406 T CA 1.370 63.501 62.100 0.052 0.000 1.105 406 T CB -0.041 68.860 68.868 0.054 0.000 0.979 406 T HN 1.719 nan 8.240 nan 0.000 0.544 407 T N 0.195 114.789 114.554 0.066 0.000 2.933 407 T HA 0.490 4.840 4.350 -0.000 0.000 0.306 407 T C 0.342 175.106 174.700 0.107 0.000 1.045 407 T CA 0.684 62.836 62.100 0.086 0.000 1.143 407 T CB -0.913 67.997 68.868 0.069 0.000 1.003 407 T HN 1.215 nan 8.240 nan 0.000 0.540 408 Y N 1.454 121.842 120.300 0.146 0.000 2.539 408 Y HA 0.555 5.104 4.550 -0.000 0.000 0.352 408 Y C 1.490 177.510 175.900 0.201 0.000 1.004 408 Y CA -1.137 57.066 58.100 0.172 0.000 1.278 408 Y CB -0.411 38.159 38.460 0.184 0.000 1.136 408 Y HN 1.162 nan 8.280 nan 0.000 0.528 409 A N 2.311 125.227 122.820 0.160 0.000 1.940 409 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 409 A C 2.175 179.873 177.584 0.191 0.000 1.176 409 A CA 2.399 54.519 52.037 0.139 0.000 0.631 409 A CB -1.074 17.988 19.000 0.103 0.000 0.814 409 A HN 0.823 nan 8.150 nan 0.000 0.446 410 T N -1.493 113.212 114.554 0.252 0.000 2.708 410 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 410 T C 1.844 176.894 174.700 0.583 0.000 1.037 410 T CA 1.667 63.991 62.100 0.374 0.000 1.146 410 T CB -0.442 68.669 68.868 0.406 0.000 0.865 410 T HN 0.570 nan 8.240 nan 0.000 0.435 411 Y N 2.428 122.941 120.300 0.355 0.000 2.163 411 Y HA -0.076 4.473 4.550 -0.000 0.000 0.288 411 Y C 2.724 178.788 175.900 0.274 0.000 1.136 411 Y CA 1.539 59.854 58.100 0.359 0.000 1.147 411 Y CB -1.046 37.527 38.460 0.188 0.000 0.987 411 Y HN 0.343 nan 8.280 nan 0.000 0.509 412 E N 1.078 121.290 120.200 0.019 0.000 2.038 412 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 412 E C 2.236 178.759 176.600 -0.128 0.000 1.000 412 E CA 1.999 58.315 56.400 -0.141 0.000 0.803 412 E CB -0.852 28.831 29.700 -0.028 0.000 0.750 412 E HN 0.656 nan 8.360 nan 0.000 0.448 413 R N -0.426 120.079 120.500 0.009 0.000 2.096 413 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 413 R C 2.831 179.000 176.300 -0.219 0.000 1.127 413 R CA 0.964 57.067 56.100 0.005 0.000 0.968 413 R CB -0.560 29.854 30.300 0.190 0.000 0.861 413 R HN 0.473 nan 8.270 nan 0.000 0.440 414 G N 1.519 110.115 108.800 -0.340 0.000 2.446 414 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 414 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 414 G C 1.206 175.431 174.900 -1.125 0.000 1.168 414 G CA 0.791 45.126 45.100 -1.276 0.000 0.771 414 G HN 0.242 nan 8.290 nan 0.000 0.551 415 N N 0.519 118.885 118.700 -0.557 0.000 2.043 415 N HA -0.117 4.622 4.740 -0.000 0.000 0.193 415 N C 2.458 177.588 175.510 -0.632 0.000 1.037 415 N CA 1.895 54.681 53.050 -0.441 0.000 0.851 415 N CB -0.996 37.293 38.487 -0.330 0.000 1.027 415 N HN 0.276 nan 8.380 nan 0.000 0.422 416 T N 1.693 115.949 114.554 -0.496 0.000 2.665 416 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 416 T C 1.720 176.070 174.700 -0.583 0.000 1.035 416 T CA 1.325 63.153 62.100 -0.453 0.000 1.151 416 T CB -0.248 68.471 68.868 -0.249 0.000 0.862 416 T HN 0.411 nan 8.240 nan 0.000 0.438 417 Q N -0.348 119.136 119.800 -0.527 0.000 2.425 417 Q HA 0.079 4.419 4.340 -0.000 0.000 0.204 417 Q C -0.492 175.279 176.000 -0.382 0.000 0.933 417 Q CA 0.003 55.574 55.803 -0.387 0.000 0.939 417 Q CB 0.045 28.605 28.738 -0.296 0.000 1.044 417 Q HN 0.726 nan 8.270 nan 0.000 0.513 418 H N -2.776 116.021 119.070 -0.454 0.000 2.827 418 H HA -0.165 4.391 4.556 -0.000 0.000 0.330 418 H C 0.650 175.660 175.328 -0.531 0.000 1.236 418 H CA 0.241 56.036 56.048 -0.422 0.000 1.165 418 H CB -1.816 27.813 29.762 -0.223 0.000 1.532 418 H HN 0.307 nan 8.280 nan 0.000 0.434 419 V N -1.157 118.210 119.914 -0.912 0.000 3.506 419 V HA 0.038 4.158 4.120 -0.000 0.000 0.263 419 V C 1.286 177.004 176.094 -0.628 0.000 1.203 419 V CA 0.675 62.421 62.300 -0.923 0.000 1.133 419 V CB 0.038 30.940 31.823 -1.536 0.000 0.802 419 V HN 0.425 nan 8.190 nan 0.000 0.459 420 W N -0.884 120.269 121.300 -0.243 0.000 2.141 420 W HA 0.596 5.255 4.660 -0.000 0.000 0.354 420 W C 0.030 176.501 176.519 -0.079 0.000 1.297 420 W CA -0.908 56.341 57.345 -0.160 0.000 1.380 420 W CB 0.813 30.210 29.460 -0.104 0.000 1.168 420 W HN -0.019 nan 8.180 nan 0.000 0.639 421 I N 2.985 123.726 120.570 0.285 0.000 2.371 421 I HA 0.055 4.225 4.170 -0.000 0.000 0.290 421 I C -0.053 176.150 176.117 0.145 0.000 1.028 421 I CA -0.519 60.884 61.300 0.172 0.000 1.345 421 I CB 0.143 38.250 38.000 0.178 0.000 1.407 421 I HN 0.340 nan 8.210 nan 0.000 0.501 422 N N 5.652 124.411 118.700 0.097 0.000 2.495 422 N HA 0.289 5.029 4.740 -0.000 0.000 0.280 422 N C -0.140 175.398 175.510 0.046 0.000 1.168 422 N CA -0.581 52.512 53.050 0.072 0.000 0.978 422 N CB 0.842 39.361 38.487 0.054 0.000 1.191 422 N HN 0.497 nan 8.380 nan 0.000 0.497 423 E N -0.460 119.758 120.200 0.031 0.000 2.585 423 E HA 0.017 4.366 4.350 -0.000 0.000 0.256 423 E C 0.902 177.508 176.600 0.010 0.000 1.383 423 E CA -0.085 56.323 56.400 0.012 0.000 1.029 423 E CB 0.383 30.085 29.700 0.002 0.000 1.044 423 E HN 0.644 nan 8.360 nan 0.000 0.595 424 S N 0.580 116.280 115.700 0.000 0.000 2.442 424 S HA -0.191 4.279 4.470 -0.000 0.000 0.236 424 S C 1.274 175.876 174.600 0.003 0.000 1.007 424 S CA 1.471 59.671 58.200 0.000 0.000 0.965 424 S CB -0.378 62.818 63.200 -0.008 0.000 0.773 424 S HN 0.643 nan 8.310 nan 0.000 0.504 425 D N 1.542 121.943 120.400 0.003 0.000 2.218 425 D HA 0.001 4.641 4.640 -0.000 0.000 0.204 425 D C 1.554 177.857 176.300 0.005 0.000 0.976 425 D CA 0.953 54.955 54.000 0.003 0.000 0.853 425 D CB -0.959 39.842 40.800 0.002 0.000 0.939 425 D HN 0.708 nan 8.370 nan 0.000 0.481 426 G N -0.058 108.748 108.800 0.010 0.000 2.132 426 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.228 426 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.228 426 G C 0.758 175.661 174.900 0.005 0.000 1.000 426 G CA 0.585 45.691 45.100 0.010 0.000 0.693 426 G HN 0.508 nan 8.290 nan 0.000 0.515 427 S N -1.550 114.157 115.700 0.012 0.000 3.472 427 S HA 0.223 4.693 4.470 -0.000 0.000 0.247 427 S C 0.745 175.367 174.600 0.036 0.000 1.084 427 S CA 0.734 58.941 58.200 0.011 0.000 0.795 427 S CB 0.252 63.453 63.200 0.002 0.000 0.892 427 S HN 0.601 nan 8.310 nan 0.000 0.513 428 T N 5.806 120.379 114.554 0.032 0.000 2.834 428 T HA 0.298 4.648 4.350 -0.000 0.000 0.298 428 T C -2.704 172.027 174.700 0.052 0.000 0.966 428 T CA -0.836 61.287 62.100 0.039 0.000 1.141 428 T CB 0.502 69.382 68.868 0.020 0.000 0.905 428 T HN 0.167 nan 8.240 nan 0.000 0.535 429 P HA 0.211 nan 4.420 nan 0.000 0.271 429 P C 0.019 177.322 177.300 0.003 0.000 1.216 429 P CA -0.478 62.662 63.100 0.067 0.000 0.771 429 P CB 0.646 32.386 31.700 0.067 0.000 0.864 430 I N 3.666 124.248 120.570 0.021 0.000 2.575 430 I HA 0.141 4.311 4.170 -0.000 0.000 0.285 430 I C -0.000 176.099 176.117 -0.029 0.000 1.085 430 I CA -0.360 60.949 61.300 0.015 0.000 1.403 430 I CB 0.291 38.324 38.000 0.055 0.000 1.409 430 I HN 0.148 nan 8.210 nan 0.000 0.557 431 I N 7.442 127.985 120.570 -0.044 0.000 2.382 431 I HA 0.408 4.578 4.170 -0.000 0.000 0.285 431 I C 0.505 176.595 176.117 -0.044 0.000 1.007 431 I CA -0.207 61.026 61.300 -0.112 0.000 1.142 431 I CB 0.334 38.255 38.000 -0.131 0.000 1.289 431 I HN 0.644 nan 8.210 nan 0.000 0.453 432 G N 4.926 113.699 108.800 -0.044 0.000 2.857 432 G HA2 0.613 4.572 3.960 -0.000 0.000 0.217 432 G HA3 0.613 4.572 3.960 -0.000 0.000 0.217 432 G C -0.956 173.869 174.900 -0.124 0.000 1.357 432 G CA -0.298 44.833 45.100 0.052 0.000 1.033 432 G HN 0.639 nan 8.290 nan 0.000 0.571 433 E N -1.464 118.660 120.200 -0.126 0.000 2.311 433 E HA 0.505 4.855 4.350 -0.000 0.000 0.281 433 E C -1.167 175.116 176.600 -0.529 0.000 0.905 433 E CA -0.680 55.567 56.400 -0.254 0.000 0.778 433 E CB 2.047 31.674 29.700 -0.120 0.000 1.240 433 E HN 0.272 nan 8.360 nan 0.000 0.410 434 V N 3.054 122.528 119.914 -0.733 0.000 5.994 434 V HA 0.313 4.433 4.120 -0.000 0.000 0.290 434 V C 0.684 176.111 176.094 -1.111 0.000 1.597 434 V CA -0.713 60.769 62.300 -1.363 0.000 0.696 434 V CB -0.145 31.176 31.823 -0.836 0.000 1.436 434 V HN 0.903 nan 8.190 nan 0.000 0.409 435 W N 1.101 122.095 121.300 -0.510 0.000 2.358 435 W HA -0.007 4.652 4.660 -0.000 0.000 0.303 435 W C -0.749 175.709 176.519 -0.102 0.000 1.208 435 W CA 1.452 58.691 57.345 -0.177 0.000 1.274 435 W CB -1.215 28.183 29.460 -0.103 0.000 1.138 435 W HN 0.447 nan 8.180 nan 0.000 0.515 436 P HA 0.309 nan 4.420 nan 0.000 0.243 436 P C 0.562 177.831 177.300 -0.052 0.000 1.672 436 P CA 0.960 64.064 63.100 0.007 0.000 1.000 436 P CB 0.089 31.766 31.700 -0.039 0.000 1.562 437 G N 0.836 109.595 108.800 -0.067 0.000 2.553 437 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 437 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 437 G C -0.643 174.151 174.900 -0.176 0.000 1.277 437 G CA -0.556 44.490 45.100 -0.090 0.000 0.910 437 G HN 0.302 nan 8.290 nan 0.000 0.576 438 L N 1.496 122.619 121.223 -0.166 0.000 2.543 438 L HA 0.469 4.809 4.340 -0.000 0.000 0.285 438 L C 1.294 177.972 176.870 -0.321 0.000 1.236 438 L CA 1.033 55.742 54.840 -0.219 0.000 0.871 438 L CB 0.215 42.164 42.059 -0.182 0.000 1.121 438 L HN 1.154 nan 8.230 nan 0.000 0.501 439 T N -0.530 113.777 114.554 -0.411 0.000 2.868 439 T HA 0.723 5.073 4.350 -0.000 0.000 0.306 439 T C -0.475 173.789 174.700 -0.726 0.000 1.224 439 T CA -0.920 60.836 62.100 -0.573 0.000 1.012 439 T CB 1.579 70.083 68.868 -0.607 0.000 1.221 439 T HN 0.408 nan 8.240 nan 0.000 0.499 440 V N -0.864 118.529 119.914 -0.869 0.000 2.994 440 V HA 0.794 4.914 4.120 -0.000 0.000 0.318 440 V C -1.398 174.181 176.094 -0.860 0.000 1.085 440 V CA -1.365 60.383 62.300 -0.921 0.000 0.998 440 V CB 0.938 31.975 31.823 -1.310 0.000 1.063 440 V HN 0.947 nan 8.190 nan 0.000 0.447 441 Y N 0.924 121.098 120.300 -0.209 0.000 2.341 441 Y HA 0.600 5.150 4.550 -0.000 0.000 0.338 441 Y C -2.527 173.521 175.900 0.246 0.000 0.965 441 Y CA -2.547 55.578 58.100 0.042 0.000 1.108 441 Y CB 2.215 40.685 38.460 0.017 0.000 1.180 441 Y HN 0.458 nan 8.280 nan 0.000 0.458 442 P HA 0.001 nan 4.420 nan 0.000 0.276 442 P C -0.557 176.610 177.300 -0.221 0.000 1.235 442 P CA -0.153 62.934 63.100 -0.023 0.000 0.772 442 P CB 0.689 32.146 31.700 -0.404 0.000 0.871 443 D N 2.899 123.166 120.400 -0.221 0.000 2.517 443 D HA 0.095 4.735 4.640 -0.000 0.000 0.220 443 D C 0.060 176.157 176.300 -0.338 0.000 1.158 443 D CA -0.298 53.590 54.000 -0.187 0.000 0.992 443 D CB -0.791 39.945 40.800 -0.107 0.000 1.058 443 D HN 0.146 nan 8.370 nan 0.000 0.516 444 F N 0.848 120.630 119.950 -0.280 0.000 2.773 444 F HA -0.023 4.503 4.527 -0.000 0.000 0.299 444 F C 2.453 177.960 175.800 -0.488 0.000 1.204 444 F CA 0.820 58.621 58.000 -0.332 0.000 1.454 444 F CB -0.422 38.333 39.000 -0.408 0.000 1.117 444 F HN 0.352 nan 8.300 nan 0.000 0.590 445 T N -4.006 110.239 114.554 -0.515 0.000 3.060 445 T HA 0.034 4.384 4.350 -0.000 0.000 0.249 445 T C 0.754 175.196 174.700 -0.430 0.000 1.079 445 T CA -0.225 61.312 62.100 -0.938 0.000 1.013 445 T CB -0.239 67.530 68.868 -1.831 0.000 0.975 445 T HN 0.031 nan 8.240 nan 0.000 0.518 446 N N 2.493 121.041 118.700 -0.253 0.000 2.422 446 N HA 0.252 4.991 4.740 -0.000 0.000 0.264 446 N C -2.096 173.375 175.510 -0.064 0.000 1.063 446 N CA -1.889 51.085 53.050 -0.126 0.000 0.959 446 N CB 2.022 40.427 38.487 -0.137 0.000 1.087 446 N HN -0.002 nan 8.380 nan 0.000 0.483 447 P HA -0.051 nan 4.420 nan 0.000 0.219 447 P C 0.542 177.846 177.300 0.006 0.000 1.146 447 P CA 1.300 64.406 63.100 0.010 0.000 0.808 447 P CB 0.379 32.095 31.700 0.027 0.000 0.779 448 N N -1.760 116.930 118.700 -0.016 0.000 2.244 448 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 448 N C 1.764 177.273 175.510 -0.002 0.000 1.016 448 N CA 0.680 53.718 53.050 -0.021 0.000 0.866 448 N CB -0.540 37.912 38.487 -0.058 0.000 0.980 448 N HN 0.148 nan 8.380 nan 0.000 0.430 449 C N 1.014 120.293 119.300 -0.034 0.000 2.453 449 C HA 0.004 4.464 4.460 -0.000 0.000 0.277 449 C C 2.581 177.675 174.990 0.174 0.000 1.262 449 C CA 0.301 59.323 59.018 0.007 0.000 1.718 449 C CB -1.160 26.482 27.740 -0.162 0.000 2.031 449 C HN 0.525 nan 8.230 nan 0.000 0.480 450 I N 0.273 120.914 120.570 0.118 0.000 2.208 450 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 450 I C 1.930 178.106 176.117 0.099 0.000 1.097 450 I CA 2.354 63.735 61.300 0.136 0.000 1.363 450 I CB -0.942 37.102 38.000 0.074 0.000 1.051 450 I HN 0.189 nan 8.210 nan 0.000 0.413 451 D N 0.865 121.312 120.400 0.079 0.000 2.078 451 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 451 D C 1.655 177.992 176.300 0.061 0.000 0.990 451 D CA 1.758 55.791 54.000 0.055 0.000 0.827 451 D CB -0.674 40.152 40.800 0.043 0.000 0.975 451 D HN 0.701 nan 8.370 nan 0.000 0.451 452 W N 1.081 122.329 121.300 -0.087 0.000 2.305 452 W HA -0.287 4.373 4.660 -0.000 0.000 0.308 452 W C 2.824 179.294 176.519 -0.082 0.000 1.226 452 W CA 3.441 60.715 57.345 -0.119 0.000 1.253 452 W CB -0.969 28.373 29.460 -0.198 0.000 1.146 452 W HN 0.153 nan 8.180 nan 0.000 0.507 453 W N -0.143 121.047 121.300 -0.183 0.000 2.378 453 W HA 0.111 4.771 4.660 -0.000 0.000 0.313 453 W C 2.598 178.972 176.519 -0.242 0.000 1.197 453 W CA 2.788 59.938 57.345 -0.325 0.000 1.304 453 W CB -1.697 27.868 29.460 0.176 0.000 1.148 453 W HN 0.315 nan 8.180 nan 0.000 0.494 454 A N 0.898 123.666 122.820 -0.087 0.000 1.903 454 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 454 A C 1.798 179.315 177.584 -0.113 0.000 1.191 454 A CA 2.550 54.556 52.037 -0.052 0.000 0.638 454 A CB -1.346 17.646 19.000 -0.013 0.000 0.823 454 A HN 0.652 nan 8.150 nan 0.000 0.451 455 N N -0.406 118.194 118.700 -0.167 0.000 2.069 455 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 455 N C 1.651 176.990 175.510 -0.285 0.000 1.031 455 N CA 1.822 54.760 53.050 -0.186 0.000 0.852 455 N CB -0.210 38.180 38.487 -0.161 0.000 1.018 455 N HN 0.433 nan 8.380 nan 0.000 0.423 456 E N -0.197 119.673 120.200 -0.550 0.000 2.110 456 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 456 E C 2.142 178.371 176.600 -0.618 0.000 0.988 456 E CA 0.795 56.679 56.400 -0.859 0.000 0.804 456 E CB -0.661 28.061 29.700 -1.629 0.000 0.745 456 E HN 0.495 nan 8.360 nan 0.000 0.458 457 C N 0.203 119.364 119.300 -0.232 0.000 2.450 457 C HA 0.015 4.475 4.460 -0.000 0.000 0.279 457 C C 3.039 178.213 174.990 0.306 0.000 1.335 457 C CA 0.807 59.989 59.018 0.273 0.000 1.749 457 C CB -0.727 27.203 27.740 0.317 0.000 1.963 457 C HN 0.413 nan 8.230 nan 0.000 0.501 458 S N 0.685 116.426 115.700 0.068 0.000 2.357 458 S HA -0.026 4.444 4.470 -0.000 0.000 0.221 458 S C 1.690 176.319 174.600 0.048 0.000 1.031 458 S CA 1.198 59.407 58.200 0.016 0.000 0.982 458 S CB -0.248 62.925 63.200 -0.045 0.000 0.853 458 S HN 0.565 nan 8.310 nan 0.000 0.458 459 I N 0.436 121.021 120.570 0.026 0.000 2.163 459 I HA -0.144 4.026 4.170 -0.000 0.000 0.243 459 I C 2.158 178.370 176.117 0.159 0.000 1.085 459 I CA 1.449 62.778 61.300 0.047 0.000 1.347 459 I CB -0.437 37.560 38.000 -0.004 0.000 1.044 459 I HN 0.321 nan 8.210 nan 0.000 0.408 460 F N 0.884 120.897 119.950 0.105 0.000 2.234 460 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 460 F C 2.663 178.629 175.800 0.276 0.000 1.087 460 F CA 1.673 59.832 58.000 0.264 0.000 1.340 460 F CB -0.617 38.680 39.000 0.495 0.000 1.031 460 F HN 0.145 nan 8.300 nan 0.000 0.500 461 H N 0.064 119.180 119.070 0.077 0.000 2.457 461 H HA -0.123 4.433 4.556 -0.000 0.000 0.294 461 H C 1.823 176.992 175.328 -0.266 0.000 1.064 461 H CA 1.675 57.546 56.048 -0.295 0.000 1.330 461 H CB 0.060 29.461 29.762 -0.602 0.000 1.395 461 H HN 0.423 nan 8.280 nan 0.000 0.541 462 Q N 0.036 119.715 119.800 -0.200 0.000 2.224 462 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 462 Q C 2.045 177.915 176.000 -0.217 0.000 0.970 462 Q CA 1.148 56.829 55.803 -0.203 0.000 0.865 462 Q CB 0.200 28.885 28.738 -0.089 0.000 0.922 462 Q HN 0.599 nan 8.270 nan 0.000 0.445 463 E N -0.161 119.901 120.200 -0.231 0.000 2.127 463 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 463 E C -0.422 176.004 176.600 -0.289 0.000 0.964 463 E CA 0.398 56.672 56.400 -0.210 0.000 0.832 463 E CB 0.845 30.460 29.700 -0.141 0.000 0.790 463 E HN -0.031 nan 8.360 nan 0.000 0.465 464 V N 2.003 121.635 119.914 -0.470 0.000 2.482 464 V HA 0.195 4.315 4.120 -0.000 0.000 0.295 464 V C -0.726 175.180 176.094 -0.314 0.000 1.026 464 V CA -0.559 61.536 62.300 -0.342 0.000 0.856 464 V CB 1.538 33.153 31.823 -0.346 0.000 1.001 464 V HN 0.102 nan 8.190 nan 0.000 0.424 465 Q N 3.990 123.635 119.800 -0.259 0.000 3.181 465 Q HA 0.233 4.573 4.340 -0.000 0.000 0.293 465 Q C -0.366 175.775 176.000 0.236 0.000 1.406 465 Q CA -0.378 55.198 55.803 -0.378 0.000 1.026 465 Q CB -0.061 28.483 28.738 -0.324 0.000 1.630 465 Q HN 0.816 nan 8.270 nan 0.000 0.553 466 Y N -1.785 118.809 120.300 0.490 0.000 2.550 466 Y HA 0.002 4.551 4.550 -0.000 0.000 0.343 466 Y C 0.493 176.789 175.900 0.661 0.000 1.245 466 Y CA -0.148 58.300 58.100 0.579 0.000 1.462 466 Y CB 0.650 39.371 38.460 0.435 0.000 1.340 466 Y HN 0.173 nan 8.280 nan 0.000 0.604 467 D N 1.186 121.950 120.400 0.606 0.000 2.388 467 D HA 0.234 4.874 4.640 -0.000 0.000 0.208 467 D C 0.472 176.924 176.300 0.254 0.000 1.035 467 D CA 0.931 55.104 54.000 0.289 0.000 0.875 467 D CB 0.844 41.579 40.800 -0.107 0.000 0.984 467 D HN 0.830 nan 8.370 nan 0.000 0.508 468 G N 0.315 109.427 108.800 0.519 0.000 2.673 468 G HA2 0.551 4.511 3.960 -0.000 0.000 0.292 468 G HA3 0.551 4.511 3.960 -0.000 0.000 0.292 468 G C -1.664 173.456 174.900 0.367 0.000 1.450 468 G CA -0.643 44.761 45.100 0.507 0.000 0.837 468 G HN -0.033 nan 8.290 nan 0.000 0.505 469 L N -0.095 121.260 121.223 0.220 0.000 2.342 469 L HA 0.712 5.052 4.340 -0.000 0.000 0.271 469 L C -1.107 175.791 176.870 0.046 0.000 1.008 469 L CA -0.912 53.966 54.840 0.063 0.000 0.818 469 L CB 2.603 44.658 42.059 -0.007 0.000 1.296 469 L HN 0.611 nan 8.230 nan 0.000 0.427 470 W N 5.397 126.590 121.300 -0.178 0.000 2.453 470 W HA 0.533 5.192 4.660 -0.000 0.000 0.310 470 W C -0.937 175.474 176.519 -0.181 0.000 1.000 470 W CA -1.822 55.381 57.345 -0.237 0.000 1.367 470 W CB 0.703 30.019 29.460 -0.240 0.000 1.269 470 W HN 0.333 nan 8.180 nan 0.000 0.418 471 I N 3.514 124.101 120.570 0.028 0.000 2.337 471 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 471 I C 0.025 176.119 176.117 -0.040 0.000 1.046 471 I CA 0.022 61.269 61.300 -0.089 0.000 1.324 471 I CB 0.838 38.785 38.000 -0.087 0.000 1.409 471 I HN 0.198 nan 8.210 nan 0.000 0.494 472 D N 5.647 125.927 120.400 -0.201 0.000 2.592 472 D HA 0.456 5.096 4.640 -0.000 0.000 0.259 472 D C 0.716 177.032 176.300 0.026 0.000 1.144 472 D CA -0.324 53.624 54.000 -0.086 0.000 1.080 472 D CB 1.092 41.664 40.800 -0.380 0.000 1.225 472 D HN 0.632 nan 8.370 nan 0.000 0.619 473 M N 0.130 119.782 119.600 0.087 0.000 2.703 473 M HA -0.254 4.226 4.480 -0.000 0.000 0.186 473 M C 0.531 176.892 176.300 0.102 0.000 0.582 473 M CA 0.333 55.696 55.300 0.105 0.000 0.578 473 M CB -2.599 30.060 32.600 0.098 0.000 2.115 473 M HN 0.411 nan 8.290 nan 0.000 0.611 474 N N 1.415 120.188 118.700 0.122 0.000 2.149 474 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 474 N C 1.891 177.485 175.510 0.140 0.000 1.019 474 N CA 2.053 55.207 53.050 0.172 0.000 0.857 474 N CB -0.099 38.475 38.487 0.145 0.000 0.997 474 N HN 0.792 nan 8.380 nan 0.000 0.426 475 E N 0.765 121.002 120.200 0.061 0.000 2.339 475 E HA 0.039 4.389 4.350 -0.000 0.000 0.201 475 E C 1.167 177.621 176.600 -0.244 0.000 1.015 475 E CA 1.248 57.618 56.400 -0.051 0.000 0.841 475 E CB -1.446 28.271 29.700 0.029 0.000 0.754 475 E HN 0.677 nan 8.360 nan 0.000 0.508 476 V N -2.355 117.384 119.914 -0.291 0.000 5.534 476 V HA 0.204 4.324 4.120 -0.000 0.000 0.325 476 V C 0.448 176.380 176.094 -0.271 0.000 0.622 476 V CA 1.248 63.222 62.300 -0.542 0.000 1.198 476 V CB -2.670 28.571 31.823 -0.970 0.000 1.407 476 V HN 1.386 nan 8.190 nan 0.000 0.477 477 S N 2.054 117.681 115.700 -0.122 0.000 2.537 477 S HA 0.911 5.380 4.470 -0.000 0.000 0.275 477 S C 0.323 174.904 174.600 -0.032 0.000 1.272 477 S CA 0.328 58.512 58.200 -0.025 0.000 1.050 477 S CB 1.324 64.558 63.200 0.057 0.000 0.961 477 S HN 2.460 nan 8.310 nan 0.000 0.496 478 S N 1.440 117.152 115.700 0.019 0.000 2.521 478 S HA 0.677 5.147 4.470 -0.000 0.000 0.295 478 S C 0.036 174.748 174.600 0.188 0.000 1.098 478 S CA -0.534 57.698 58.200 0.054 0.000 0.999 478 S CB 0.184 63.424 63.200 0.066 0.000 1.034 478 S HN 0.448 nan 8.310 nan 0.000 0.483 479 F N 2.982 122.873 119.950 -0.099 0.000 2.325 479 F HA 0.207 4.734 4.527 -0.000 0.000 0.299 479 F C 1.113 176.887 175.800 -0.044 0.000 1.090 479 F CA -0.023 57.914 58.000 -0.106 0.000 1.392 479 F CB -0.611 38.294 39.000 -0.157 0.000 1.053 479 F HN 0.583 nan 8.300 nan 0.000 0.521 480 I N -1.515 119.158 120.570 0.171 0.000 2.577 480 I HA 0.364 4.534 4.170 -0.000 0.000 0.305 480 I C -0.111 176.075 176.117 0.115 0.000 0.986 480 I CA -1.057 60.311 61.300 0.114 0.000 1.189 480 I CB 1.030 39.078 38.000 0.080 0.000 1.355 480 I HN -0.287 nan 8.210 nan 0.000 0.476 481 Q N 4.279 124.158 119.800 0.132 0.000 2.307 481 Q HA 0.327 4.666 4.340 -0.000 0.000 0.261 481 Q C 0.790 176.939 176.000 0.248 0.000 1.051 481 Q CA 0.850 56.784 55.803 0.218 0.000 0.911 481 Q CB 0.887 29.765 28.738 0.234 0.000 1.227 481 Q HN 1.133 nan 8.270 nan 0.000 0.418 482 G N 3.072 112.009 108.800 0.228 0.000 4.951 482 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.295 482 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.295 482 G C 0.102 174.983 174.900 -0.032 0.000 1.540 482 G CA 0.300 45.402 45.100 0.003 0.000 1.044 482 G HN 1.083 nan 8.290 nan 0.000 0.731 483 S N -2.329 113.347 115.700 -0.040 0.000 2.656 483 S HA 0.647 5.117 4.470 -0.000 0.000 0.273 483 S C 0.720 175.313 174.600 -0.012 0.000 1.168 483 S CA 1.052 59.239 58.200 -0.021 0.000 0.817 483 S CB 1.117 64.291 63.200 -0.044 0.000 1.146 483 S HN 1.212 nan 8.310 nan 0.000 0.475 484 T N 0.703 115.248 114.554 -0.016 0.000 2.822 484 T HA -0.052 4.298 4.350 -0.000 0.000 0.270 484 T C 1.148 175.838 174.700 -0.017 0.000 1.064 484 T CA 2.006 64.093 62.100 -0.021 0.000 1.131 484 T CB -0.511 68.333 68.868 -0.040 0.000 0.858 484 T HN 0.822 nan 8.240 nan 0.000 0.483 485 K N -0.188 120.198 120.400 -0.023 0.000 2.726 485 K HA 0.633 4.953 4.320 -0.000 0.000 0.209 485 K C 0.895 177.477 176.600 -0.031 0.000 1.082 485 K CA 0.004 56.278 56.287 -0.021 0.000 1.081 485 K CB -0.332 32.155 32.500 -0.021 0.000 0.830 485 K HN 0.603 nan 8.250 nan 0.000 0.470 486 G N 0.201 108.978 108.800 -0.039 0.000 2.601 486 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 486 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 486 G C -0.086 174.718 174.900 -0.161 0.000 1.294 486 G CA -0.217 44.840 45.100 -0.071 0.000 0.912 486 G HN 0.805 nan 8.290 nan 0.000 0.574 487 C N -0.354 118.813 119.300 -0.221 0.000 2.507 487 C HA 0.656 5.116 4.460 -0.000 0.000 0.319 487 C C 0.698 175.625 174.990 -0.106 0.000 1.208 487 C CA -0.358 58.480 59.018 -0.299 0.000 1.619 487 C CB 0.958 28.252 27.740 -0.744 0.000 2.230 487 C HN 0.907 nan 8.230 nan 0.000 0.492 488 N N 0.442 119.097 118.700 -0.074 0.000 2.492 488 N HA 0.244 4.983 4.740 -0.000 0.000 0.260 488 N C -0.305 175.256 175.510 0.084 0.000 1.215 488 N CA -0.364 52.685 53.050 -0.001 0.000 0.923 488 N CB 1.154 39.635 38.487 -0.011 0.000 1.092 488 N HN 0.519 nan 8.380 nan 0.000 0.448 489 V N 2.665 122.646 119.914 0.112 0.000 2.299 489 V HA 0.303 4.423 4.120 -0.000 0.000 0.255 489 V C -0.023 176.162 176.094 0.152 0.000 1.100 489 V CA -0.383 62.029 62.300 0.187 0.000 0.938 489 V CB -1.181 30.662 31.823 0.032 0.000 1.139 489 V HN 0.978 nan 8.190 nan 0.000 0.490 490 N N 2.804 121.637 118.700 0.221 0.000 2.972 490 N HA 0.555 5.295 4.740 -0.000 0.000 0.262 490 N C 0.824 176.410 175.510 0.126 0.000 1.478 490 N CA -0.365 52.756 53.050 0.119 0.000 0.841 490 N CB 1.119 39.632 38.487 0.044 0.000 1.512 490 N HN 0.042 nan 8.380 nan 0.000 0.548 491 K N 0.019 120.446 120.400 0.046 0.000 2.218 491 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 491 K C 1.621 178.172 176.600 -0.081 0.000 1.046 491 K CA 1.940 58.232 56.287 0.009 0.000 0.933 491 K CB -1.415 31.069 32.500 -0.026 0.000 0.728 491 K HN 0.560 nan 8.250 nan 0.000 0.454 492 L N -0.413 120.721 121.223 -0.147 0.000 2.131 492 L HA -0.035 4.304 4.340 -0.000 0.000 0.206 492 L C 2.258 179.111 176.870 -0.028 0.000 1.087 492 L CA 1.430 56.108 54.840 -0.270 0.000 0.767 492 L CB -0.152 41.753 42.059 -0.256 0.000 0.917 492 L HN 0.466 nan 8.230 nan 0.000 0.441 493 N N -1.449 117.228 118.700 -0.038 0.000 2.333 493 N HA -0.057 4.683 4.740 -0.000 0.000 0.178 493 N C -0.328 174.918 175.510 -0.440 0.000 1.018 493 N CA 0.512 53.457 53.050 -0.174 0.000 0.882 493 N CB 0.322 38.663 38.487 -0.245 0.000 0.984 493 N HN 0.182 nan 8.380 nan 0.000 0.434 494 Y N 0.754 121.114 120.300 0.099 0.000 2.658 494 Y HA 0.363 4.913 4.550 -0.000 0.000 0.362 494 Y C -2.326 173.601 175.900 0.045 0.000 1.017 494 Y CA -2.283 55.858 58.100 0.068 0.000 1.134 494 Y CB 0.628 39.128 38.460 0.066 0.000 1.144 494 Y HN -0.020 nan 8.280 nan 0.000 0.655 495 P HA 0.146 nan 4.420 nan 0.000 0.272 495 P C -2.165 175.195 177.300 0.099 0.000 1.230 495 P CA -1.408 61.757 63.100 0.109 0.000 0.788 495 P CB 1.319 33.109 31.700 0.150 0.000 0.949 496 P HA -0.013 nan 4.420 nan 0.000 0.217 496 P C 0.039 177.406 177.300 0.112 0.000 1.150 496 P CA 1.240 64.446 63.100 0.177 0.000 0.832 496 P CB -0.003 31.848 31.700 0.251 0.000 0.787 497 F N 0.111 119.899 119.950 -0.271 0.000 2.507 497 F HA 0.470 4.997 4.527 -0.000 0.000 0.328 497 F C -0.930 174.752 175.800 -0.198 0.000 1.136 497 F CA -0.690 57.021 58.000 -0.482 0.000 0.930 497 F CB 1.203 39.514 39.000 -1.149 0.000 1.166 497 F HN -0.395 nan 8.300 nan 0.000 0.436 498 T N 7.978 122.008 114.554 -0.872 0.000 2.771 498 T HA 0.451 4.801 4.350 -0.000 0.000 0.281 498 T C -2.557 171.413 174.700 -1.215 0.000 0.982 498 T CA -1.276 60.337 62.100 -0.812 0.000 0.978 498 T CB 1.367 70.000 68.868 -0.392 0.000 0.930 498 T HN 0.395 nan 8.240 nan 0.000 0.447 499 P HA 0.226 nan 4.420 nan 0.000 0.277 499 P C 0.020 177.161 177.300 -0.265 0.000 1.276 499 P CA -0.400 62.375 63.100 -0.541 0.000 0.788 499 P CB 0.692 32.276 31.700 -0.193 0.000 1.114 500 D N -0.365 119.977 120.400 -0.096 0.000 2.644 500 D HA 0.042 4.682 4.640 -0.000 0.000 0.252 500 D C 0.329 176.599 176.300 -0.050 0.000 1.254 500 D CA -0.072 53.892 54.000 -0.060 0.000 0.884 500 D CB -1.528 39.264 40.800 -0.012 0.000 1.034 500 D HN 0.262 nan 8.370 nan 0.000 0.473 501 I N -2.157 118.366 120.570 -0.078 0.000 2.634 501 I HA 0.116 4.286 4.170 -0.000 0.000 0.284 501 I C 0.449 176.545 176.117 -0.034 0.000 1.124 501 I CA -1.099 60.184 61.300 -0.030 0.000 1.417 501 I CB 0.553 38.535 38.000 -0.029 0.000 1.396 501 I HN -0.187 nan 8.210 nan 0.000 0.571 502 L N 6.648 127.868 121.223 -0.005 0.000 2.593 502 L HA -0.067 4.272 4.340 -0.000 0.000 0.287 502 L C 0.578 177.427 176.870 -0.035 0.000 1.243 502 L CA 1.315 56.146 54.840 -0.015 0.000 0.890 502 L CB -0.524 41.534 42.059 -0.002 0.000 1.134 502 L HN 0.899 nan 8.230 nan 0.000 0.502 503 D N 1.200 121.575 120.400 -0.041 0.000 2.978 503 D HA -0.324 4.316 4.640 -0.000 0.000 0.205 503 D C 0.817 177.067 176.300 -0.082 0.000 1.093 503 D CA 1.491 55.456 54.000 -0.058 0.000 1.006 503 D CB -1.498 39.261 40.800 -0.069 0.000 1.116 503 D HN 1.082 nan 8.370 nan 0.000 0.419 504 K N -0.593 119.754 120.400 -0.089 0.000 3.003 504 K HA -0.179 4.141 4.320 -0.000 0.000 0.257 504 K C 0.137 176.651 176.600 -0.143 0.000 0.958 504 K CA 1.729 57.946 56.287 -0.116 0.000 0.707 504 K CB -2.024 30.420 32.500 -0.092 0.000 1.279 504 K HN 0.614 nan 8.250 nan 0.000 0.479 505 L N 0.700 121.813 121.223 -0.183 0.000 2.518 505 L HA 0.354 4.694 4.340 -0.000 0.000 0.262 505 L C 1.259 177.933 176.870 -0.327 0.000 0.982 505 L CA -0.761 53.905 54.840 -0.289 0.000 0.873 505 L CB 1.094 42.950 42.059 -0.338 0.000 1.198 505 L HN 0.358 nan 8.230 nan 0.000 0.427 506 M N 3.781 123.203 119.600 -0.296 0.000 2.113 506 M HA -0.258 4.222 4.480 -0.000 0.000 0.255 506 M C 1.563 177.827 176.300 -0.060 0.000 1.073 506 M CA 2.306 57.496 55.300 -0.183 0.000 1.091 506 M CB -1.162 31.341 32.600 -0.161 0.000 1.309 506 M HN 0.780 nan 8.290 nan 0.000 0.407 507 Y N -0.822 119.404 120.300 -0.124 0.000 2.529 507 Y HA 0.371 4.921 4.550 -0.000 0.000 0.290 507 Y C 1.129 176.993 175.900 -0.060 0.000 1.177 507 Y CA -0.321 57.715 58.100 -0.106 0.000 1.305 507 Y CB -0.872 37.515 38.460 -0.123 0.000 1.047 507 Y HN 0.029 nan 8.280 nan 0.000 0.522 508 S N 1.971 117.551 115.700 -0.200 0.000 2.525 508 S HA 0.318 4.788 4.470 -0.000 0.000 0.285 508 S C 1.073 175.670 174.600 -0.006 0.000 1.283 508 S CA 0.634 58.762 58.200 -0.120 0.000 1.072 508 S CB -0.234 62.882 63.200 -0.141 0.000 0.867 508 S HN 0.913 nan 8.310 nan 0.000 0.492 509 K N 0.881 121.300 120.400 0.031 0.000 3.069 509 K HA -0.165 4.155 4.320 -0.000 0.000 0.267 509 K C 0.472 177.100 176.600 0.046 0.000 1.082 509 K CA 1.989 58.309 56.287 0.055 0.000 0.782 509 K CB -2.768 29.762 32.500 0.050 0.000 1.230 509 K HN 1.139 nan 8.250 nan 0.000 0.488 510 T N -2.472 112.104 114.554 0.035 0.000 2.627 510 T HA 0.780 5.129 4.350 -0.000 0.000 0.294 510 T C -0.586 174.091 174.700 -0.037 0.000 1.230 510 T CA 0.192 62.279 62.100 -0.021 0.000 1.084 510 T CB 0.668 69.541 68.868 0.009 0.000 1.693 510 T HN 1.415 nan 8.240 nan 0.000 0.465 511 I N -0.357 120.151 120.570 -0.103 0.000 2.982 511 I HA 0.743 4.913 4.170 -0.000 0.000 0.312 511 I C 0.088 176.173 176.117 -0.053 0.000 1.041 511 I CA -1.114 60.126 61.300 -0.101 0.000 1.053 511 I CB 1.227 39.097 38.000 -0.217 0.000 1.248 511 I HN 0.612 nan 8.210 nan 0.000 0.471 512 C N 3.668 122.920 119.300 -0.079 0.000 2.597 512 C HA 0.047 4.507 4.460 -0.000 0.000 0.412 512 C C 1.947 176.911 174.990 -0.043 0.000 1.348 512 C CA -0.335 58.614 59.018 -0.115 0.000 1.769 512 C CB -0.058 27.591 27.740 -0.152 0.000 2.641 512 C HN 0.775 nan 8.230 nan 0.000 0.612 513 M N 2.503 122.094 119.600 -0.015 0.000 2.557 513 M HA -0.026 4.454 4.480 -0.000 0.000 0.259 513 M C 1.445 177.783 176.300 0.063 0.000 1.086 513 M CA 1.229 56.570 55.300 0.068 0.000 1.096 513 M CB -0.938 31.753 32.600 0.153 0.000 1.424 513 M HN 0.817 nan 8.290 nan 0.000 0.488 514 D N -0.433 119.969 120.400 0.004 0.000 2.349 514 D HA 0.192 4.832 4.640 -0.000 0.000 0.214 514 D C 0.507 176.810 176.300 0.006 0.000 1.063 514 D CA -0.064 53.935 54.000 -0.002 0.000 0.847 514 D CB -0.442 40.343 40.800 -0.025 0.000 0.933 514 D HN 0.069 nan 8.370 nan 0.000 0.513 515 A N 0.471 123.296 122.820 0.008 0.000 2.540 515 A HA 0.447 4.767 4.320 -0.000 0.000 0.239 515 A C 0.561 178.166 177.584 0.035 0.000 1.061 515 A CA 0.111 52.158 52.037 0.017 0.000 0.758 515 A CB -0.060 18.947 19.000 0.011 0.000 0.991 515 A HN 0.497 nan 8.150 nan 0.000 0.502 516 V N 2.293 122.230 119.914 0.037 0.000 2.439 516 V HA 0.646 4.766 4.120 -0.000 0.000 0.282 516 V C 0.074 176.198 176.094 0.050 0.000 1.039 516 V CA -0.517 61.809 62.300 0.044 0.000 0.913 516 V CB 0.895 32.740 31.823 0.036 0.000 0.983 516 V HN 0.983 nan 8.190 nan 0.000 0.460 517 Q N 2.081 121.916 119.800 0.057 0.000 2.528 517 Q HA 0.292 4.632 4.340 -0.000 0.000 0.289 517 Q C 0.869 176.902 176.000 0.054 0.000 1.091 517 Q CA -0.654 55.173 55.803 0.040 0.000 0.797 517 Q CB 2.268 31.028 28.738 0.036 0.000 1.466 517 Q HN 0.933 nan 8.270 nan 0.000 0.436 518 N N 0.153 118.857 118.700 0.008 0.000 2.149 518 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 518 N C 0.683 176.343 175.510 0.250 0.000 1.019 518 N CA 1.395 54.486 53.050 0.067 0.000 0.857 518 N CB 0.165 38.652 38.487 -0.000 0.000 0.997 518 N HN 0.568 nan 8.380 nan 0.000 0.426 519 W N 0.729 122.067 121.300 0.064 0.000 2.678 519 W HA 0.293 4.953 4.660 -0.000 0.000 0.256 519 W C 1.372 177.962 176.519 0.118 0.000 1.280 519 W CA 0.924 58.327 57.345 0.097 0.000 1.345 519 W CB -0.774 28.752 29.460 0.109 0.000 1.118 519 W HN 0.196 nan 8.180 nan 0.000 0.629 520 G N -0.704 108.260 108.800 0.274 0.000 2.352 520 G HA2 0.039 3.999 3.960 -0.000 0.000 0.283 520 G HA3 0.039 3.999 3.960 -0.000 0.000 0.283 520 G C -1.040 173.909 174.900 0.082 0.000 1.308 520 G CA -1.239 43.954 45.100 0.155 0.000 0.892 520 G HN -0.156 nan 8.290 nan 0.000 0.504 521 K N 0.093 120.514 120.400 0.034 0.000 2.295 521 K HA 0.266 4.586 4.320 -0.000 0.000 0.270 521 K C 1.287 177.913 176.600 0.044 0.000 1.011 521 K CA -0.198 56.114 56.287 0.040 0.000 0.953 521 K CB 1.328 33.854 32.500 0.044 0.000 0.956 521 K HN 0.518 nan 8.250 nan 0.000 0.477 522 Q N 1.793 121.638 119.800 0.076 0.000 2.096 522 Q HA -0.279 4.061 4.340 -0.000 0.000 0.208 522 Q C 1.550 177.635 176.000 0.143 0.000 0.993 522 Q CA 1.871 57.737 55.803 0.105 0.000 0.862 522 Q CB -0.483 28.306 28.738 0.085 0.000 0.915 522 Q HN 0.687 nan 8.270 nan 0.000 0.416 523 Y N 0.356 120.660 120.300 0.008 0.000 2.219 523 Y HA -0.314 4.236 4.550 -0.000 0.000 0.283 523 Y C 1.294 177.182 175.900 -0.020 0.000 1.191 523 Y CA 2.236 60.340 58.100 0.007 0.000 1.199 523 Y CB 0.036 38.478 38.460 -0.030 0.000 0.972 523 Y HN 0.271 nan 8.280 nan 0.000 0.527 524 D N -1.487 118.878 120.400 -0.057 0.000 2.490 524 D HA -0.012 4.628 4.640 -0.000 0.000 0.244 524 D C 1.666 177.708 176.300 -0.430 0.000 0.979 524 D CA 1.491 55.221 54.000 -0.451 0.000 0.924 524 D CB -0.270 39.928 40.800 -1.004 0.000 1.075 524 D HN 0.280 nan 8.370 nan 0.000 0.488 525 V N -0.540 119.250 119.914 -0.206 0.000 3.249 525 V HA 0.156 4.276 4.120 -0.000 0.000 0.338 525 V C 1.678 177.807 176.094 0.059 0.000 1.363 525 V CA 0.043 62.337 62.300 -0.009 0.000 1.205 525 V CB -0.489 31.427 31.823 0.154 0.000 1.164 525 V HN 0.185 nan 8.190 nan 0.000 0.458 526 H N 1.331 120.383 119.070 -0.029 0.000 2.321 526 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 526 H C 1.949 177.209 175.328 -0.113 0.000 1.087 526 H CA 2.068 58.078 56.048 -0.064 0.000 1.319 526 H CB 0.148 29.862 29.762 -0.079 0.000 1.379 526 H HN 0.547 nan 8.280 nan 0.000 0.501 527 S N 0.309 115.863 115.700 -0.244 0.000 2.603 527 S HA 0.058 4.527 4.470 -0.000 0.000 0.229 527 S C 1.951 176.426 174.600 -0.209 0.000 0.972 527 S CA 0.098 58.132 58.200 -0.277 0.000 0.935 527 S CB 0.063 63.158 63.200 -0.174 0.000 0.769 527 S HN 0.357 nan 8.310 nan 0.000 0.536 528 L N -0.748 120.376 121.223 -0.165 0.000 2.585 528 L HA 0.182 4.521 4.340 -0.000 0.000 0.226 528 L C 1.755 178.708 176.870 0.138 0.000 1.113 528 L CA 0.225 55.037 54.840 -0.048 0.000 0.876 528 L CB -0.289 41.803 42.059 0.056 0.000 1.072 528 L HN 0.303 nan 8.230 nan 0.000 0.468 529 Y N 1.413 121.679 120.300 -0.056 0.000 2.114 529 Y HA -0.215 4.334 4.550 -0.000 0.000 0.284 529 Y C 2.392 178.289 175.900 -0.005 0.000 1.143 529 Y CA 1.951 60.030 58.100 -0.035 0.000 1.135 529 Y CB -0.302 38.104 38.460 -0.090 0.000 0.980 529 Y HN 0.117 nan 8.280 nan 0.000 0.499 530 G N -1.122 107.809 108.800 0.217 0.000 2.442 530 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.219 530 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.219 530 G C 1.519 176.466 174.900 0.079 0.000 1.141 530 G CA 1.115 46.299 45.100 0.140 0.000 0.763 530 G HN 0.584 nan 8.290 nan 0.000 0.554 531 Y N 2.876 123.181 120.300 0.008 0.000 2.097 531 Y HA -0.250 4.299 4.550 -0.000 0.000 0.282 531 Y C 3.146 178.988 175.900 -0.096 0.000 1.152 531 Y CA 2.161 60.272 58.100 0.018 0.000 1.136 531 Y CB -0.622 37.895 38.460 0.095 0.000 0.975 531 Y HN 0.308 nan 8.280 nan 0.000 0.498 532 S N -0.182 115.418 115.700 -0.166 0.000 2.423 532 S HA -0.245 4.225 4.470 -0.000 0.000 0.231 532 S C 2.157 176.476 174.600 -0.468 0.000 1.014 532 S CA 1.368 59.337 58.200 -0.385 0.000 0.965 532 S CB -0.733 62.171 63.200 -0.493 0.000 0.785 532 S HN 0.656 nan 8.310 nan 0.000 0.495 533 M N 1.164 120.429 119.600 -0.559 0.000 2.254 533 M HA 0.095 4.575 4.480 -0.000 0.000 0.265 533 M C 2.295 178.281 176.300 -0.523 0.000 1.066 533 M CA 1.229 56.014 55.300 -0.858 0.000 1.123 533 M CB -0.511 31.519 32.600 -0.951 0.000 1.388 533 M HN 0.540 nan 8.290 nan 0.000 0.425 534 A N 0.712 123.325 122.820 -0.345 0.000 1.898 534 A HA -0.138 4.181 4.320 -0.000 0.000 0.216 534 A C 1.895 179.301 177.584 -0.297 0.000 1.181 534 A CA 1.370 53.266 52.037 -0.237 0.000 0.620 534 A CB -0.807 18.131 19.000 -0.103 0.000 0.819 534 A HN 0.548 nan 8.150 nan 0.000 0.442 535 I N -0.217 120.063 120.570 -0.484 0.000 2.226 535 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 535 I C 2.962 178.925 176.117 -0.257 0.000 1.100 535 I CA 1.036 62.033 61.300 -0.505 0.000 1.374 535 I CB -0.291 37.329 38.000 -0.634 0.000 1.057 535 I HN 0.344 nan 8.210 nan 0.000 0.413 536 A N 0.237 122.907 122.820 -0.250 0.000 1.908 536 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 536 A C 2.364 179.892 177.584 -0.094 0.000 1.181 536 A CA 2.502 54.465 52.037 -0.124 0.000 0.627 536 A CB -1.098 17.854 19.000 -0.080 0.000 0.818 536 A HN 0.409 nan 8.150 nan 0.000 0.445 537 T N -0.780 113.680 114.554 -0.157 0.000 2.951 537 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 537 T C 1.763 176.454 174.700 -0.015 0.000 1.073 537 T CA 1.167 63.223 62.100 -0.074 0.000 1.134 537 T CB -0.102 68.701 68.868 -0.108 0.000 0.884 537 T HN 0.658 nan 8.240 nan 0.000 0.479 538 E N 0.889 121.067 120.200 -0.037 0.000 2.106 538 E HA -0.188 4.161 4.350 -0.000 0.000 0.192 538 E C 2.257 178.880 176.600 0.040 0.000 0.984 538 E CA 0.975 57.386 56.400 0.018 0.000 0.806 538 E CB 0.038 29.764 29.700 0.044 0.000 0.750 538 E HN 0.428 nan 8.360 nan 0.000 0.458 539 Q N 0.049 119.859 119.800 0.017 0.000 2.050 539 Q HA -0.117 4.222 4.340 -0.000 0.000 0.202 539 Q C 2.027 178.056 176.000 0.049 0.000 0.980 539 Q CA 1.794 57.616 55.803 0.032 0.000 0.840 539 Q CB -0.248 28.502 28.738 0.020 0.000 0.898 539 Q HN 0.339 nan 8.270 nan 0.000 0.424 540 A N -0.303 122.547 122.820 0.051 0.000 1.948 540 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 540 A C 2.273 179.929 177.584 0.119 0.000 1.177 540 A CA 1.698 53.778 52.037 0.072 0.000 0.636 540 A CB -0.905 18.146 19.000 0.084 0.000 0.815 540 A HN 0.272 nan 8.150 nan 0.000 0.449 541 V N -0.258 119.753 119.914 0.163 0.000 2.427 541 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 541 V C 2.733 178.963 176.094 0.227 0.000 1.051 541 V CA 2.054 64.522 62.300 0.280 0.000 1.048 541 V CB -0.615 31.356 31.823 0.248 0.000 0.666 541 V HN 0.534 nan 8.190 nan 0.000 0.456 542 Q N 0.309 120.188 119.800 0.132 0.000 2.124 542 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 542 Q C 2.481 178.514 176.000 0.055 0.000 0.977 542 Q CA 2.398 58.258 55.803 0.096 0.000 0.850 542 Q CB -0.691 28.089 28.738 0.070 0.000 0.901 542 Q HN 0.771 nan 8.270 nan 0.000 0.429 543 K N 0.245 120.663 120.400 0.030 0.000 2.025 543 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 543 K C 2.250 178.802 176.600 -0.080 0.000 1.049 543 K CA 1.530 57.808 56.287 -0.015 0.000 0.933 543 K CB -1.046 31.444 32.500 -0.018 0.000 0.714 543 K HN 0.124 nan 8.250 nan 0.000 0.438 544 V N -0.295 119.539 119.914 -0.134 0.000 2.323 544 V HA 0.077 4.197 4.120 -0.000 0.000 0.244 544 V C 0.676 176.366 176.094 -0.674 0.000 1.041 544 V CA 0.803 62.823 62.300 -0.466 0.000 1.025 544 V CB -0.447 30.973 31.823 -0.673 0.000 0.656 544 V HN 0.507 nan 8.190 nan 0.000 0.451 545 F N 1.010 120.908 119.950 -0.086 0.000 2.363 545 F HA 0.480 5.007 4.527 -0.000 0.000 0.366 545 F C -2.594 173.199 175.800 -0.012 0.000 1.083 545 F CA -2.823 55.140 58.000 -0.062 0.000 1.176 545 F CB 0.201 39.187 39.000 -0.023 0.000 1.432 545 F HN 0.014 nan 8.300 nan 0.000 0.482 546 P HA 0.011 nan 4.420 nan 0.000 0.264 546 P C 0.482 177.839 177.300 0.095 0.000 1.193 546 P CA 0.518 63.663 63.100 0.075 0.000 0.763 546 P CB 0.514 32.235 31.700 0.035 0.000 0.810 547 N N 0.407 119.159 118.700 0.086 0.000 2.732 547 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 547 N C -0.248 175.313 175.510 0.085 0.000 1.097 547 N CA 1.293 54.389 53.050 0.077 0.000 0.812 547 N CB -0.686 37.837 38.487 0.061 0.000 1.148 547 N HN 0.307 nan 8.380 nan 0.000 0.572 548 K N 0.092 120.563 120.400 0.119 0.000 2.109 548 K HA 0.322 4.642 4.320 -0.000 0.000 0.243 548 K C 1.313 177.959 176.600 0.078 0.000 1.006 548 K CA -0.466 55.885 56.287 0.107 0.000 0.917 548 K CB 0.473 33.056 32.500 0.139 0.000 1.081 548 K HN 0.169 nan 8.250 nan 0.000 0.468 549 R N 0.251 120.780 120.500 0.048 0.000 2.112 549 R HA -0.013 4.326 4.340 -0.000 0.000 0.216 549 R C 0.933 177.230 176.300 -0.004 0.000 1.080 549 R CA 0.616 56.723 56.100 0.011 0.000 0.996 549 R CB 0.110 30.394 30.300 -0.026 0.000 0.902 549 R HN 0.860 nan 8.270 nan 0.000 0.449 550 S N -0.712 114.991 115.700 0.006 0.000 3.469 550 S HA -0.313 4.156 4.470 -0.000 0.000 0.628 550 S C -0.647 173.998 174.600 0.075 0.000 2.687 550 S CA 1.242 59.450 58.200 0.012 0.000 3.829 550 S CB -0.720 62.337 63.200 -0.239 0.000 0.258 550 S HN 0.260 nan 8.310 nan 0.000 1.222 551 F N 0.827 120.717 119.950 -0.101 0.000 2.604 551 F HA 0.717 5.244 4.527 -0.000 0.000 0.316 551 F C -1.172 174.577 175.800 -0.085 0.000 1.136 551 F CA -0.759 57.119 58.000 -0.204 0.000 0.989 551 F CB 1.084 39.929 39.000 -0.258 0.000 1.258 551 F HN 0.516 nan 8.300 nan 0.000 0.451 552 I N 7.424 127.592 120.570 -0.671 0.000 2.476 552 I HA 0.332 4.502 4.170 -0.000 0.000 0.281 552 I C -1.565 174.054 176.117 -0.830 0.000 1.040 552 I CA -0.808 60.143 61.300 -0.581 0.000 1.094 552 I CB 1.801 39.653 38.000 -0.248 0.000 1.219 552 I HN 0.418 nan 8.210 nan 0.000 0.450 553 L N 6.263 126.967 121.223 -0.865 0.000 2.265 553 L HA 0.582 4.921 4.340 -0.000 0.000 0.289 553 L C -0.031 176.788 176.870 -0.086 0.000 1.033 553 L CA 0.421 54.877 54.840 -0.641 0.000 0.814 553 L CB 1.559 43.096 42.059 -0.869 0.000 1.203 553 L HN 0.553 nan 8.230 nan 0.000 0.423 554 T N 3.781 118.346 114.554 0.018 0.000 2.918 554 T HA 0.424 4.774 4.350 -0.000 0.000 0.286 554 T C 0.774 175.670 174.700 0.326 0.000 1.026 554 T CA -0.402 61.808 62.100 0.183 0.000 1.031 554 T CB 1.516 70.441 68.868 0.095 0.000 1.046 554 T HN 0.832 nan 8.240 nan 0.000 0.479 555 R N 1.689 122.355 120.500 0.277 0.000 2.039 555 R HA 0.253 4.593 4.340 -0.000 0.000 0.218 555 R C 1.035 177.405 176.300 0.117 0.000 1.220 555 R CA 0.277 56.363 56.100 -0.023 0.000 0.993 555 R CB -0.437 29.748 30.300 -0.192 0.000 0.881 555 R HN 0.605 nan 8.270 nan 0.000 0.450 556 S N 0.302 116.084 115.700 0.137 0.000 2.572 556 S HA 0.122 4.591 4.470 -0.000 0.000 0.279 556 S C -0.738 173.967 174.600 0.176 0.000 1.341 556 S CA 0.072 58.375 58.200 0.172 0.000 1.043 556 S CB 0.710 63.998 63.200 0.145 0.000 0.887 556 S HN 0.437 nan 8.310 nan 0.000 0.516 557 T N 2.491 117.156 114.554 0.185 0.000 2.982 557 T HA 0.600 4.950 4.350 -0.000 0.000 0.321 557 T C -1.049 173.806 174.700 0.258 0.000 1.229 557 T CA -0.647 61.573 62.100 0.201 0.000 1.044 557 T CB 0.950 69.886 68.868 0.114 0.000 1.184 557 T HN 0.541 nan 8.240 nan 0.000 0.477 558 F N 1.615 121.613 119.950 0.079 0.000 2.661 558 F HA 0.781 5.308 4.527 -0.000 0.000 0.347 558 F C 0.073 175.844 175.800 -0.049 0.000 1.086 558 F CA -1.183 56.794 58.000 -0.038 0.000 1.016 558 F CB 1.146 40.001 39.000 -0.242 0.000 1.368 558 F HN 0.962 nan 8.300 nan 0.000 0.505 559 A N 1.412 123.611 122.820 -1.034 0.000 2.563 559 A HA 0.390 4.710 4.320 -0.000 0.000 0.256 559 A C 1.020 178.506 177.584 -0.162 0.000 1.056 559 A CA 0.885 52.564 52.037 -0.596 0.000 0.775 559 A CB -1.586 16.981 19.000 -0.721 0.000 0.973 559 A HN 2.072 nan 8.150 nan 0.000 0.516 560 G N 2.244 110.963 108.800 -0.135 0.000 2.147 560 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 560 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 560 G C 0.893 175.875 174.900 0.137 0.000 1.005 560 G CA 0.615 45.669 45.100 -0.077 0.000 0.713 560 G HN 1.206 nan 8.290 nan 0.000 0.515 561 S N -0.238 115.606 115.700 0.239 0.000 2.500 561 S HA 0.068 4.538 4.470 -0.000 0.000 0.239 561 S C 2.542 177.226 174.600 0.139 0.000 0.989 561 S CA 1.375 59.779 58.200 0.341 0.000 0.951 561 S CB -0.179 63.216 63.200 0.325 0.000 0.759 561 S HN 1.258 nan 8.310 nan 0.000 0.523 562 G N 1.952 110.783 108.800 0.050 0.000 2.475 562 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 562 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 562 G C 1.325 176.157 174.900 -0.114 0.000 1.125 562 G CA 0.761 45.857 45.100 -0.007 0.000 0.755 562 G HN 0.473 nan 8.290 nan 0.000 0.565 563 R N -0.631 119.712 120.500 -0.262 0.000 2.193 563 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 563 R C 1.848 177.823 176.300 -0.541 0.000 1.110 563 R CA 1.370 57.174 56.100 -0.493 0.000 0.988 563 R CB -0.072 29.785 30.300 -0.739 0.000 0.871 563 R HN 0.518 nan 8.270 nan 0.000 0.458 564 H N -2.653 116.403 119.070 -0.023 0.000 3.091 564 H HA 0.408 4.964 4.556 -0.000 0.000 0.249 564 H C 0.023 175.305 175.328 -0.078 0.000 0.985 564 H CA 0.627 56.646 56.048 -0.049 0.000 1.177 564 H CB 1.018 30.738 29.762 -0.069 0.000 1.456 564 H HN 0.208 nan 8.280 nan 0.000 0.467 565 A N 0.696 123.529 122.820 0.021 0.000 2.602 565 A HA 0.735 5.055 4.320 -0.000 0.000 0.290 565 A C -1.092 176.432 177.584 -0.100 0.000 1.114 565 A CA -0.127 51.866 52.037 -0.075 0.000 0.683 565 A CB 1.157 20.124 19.000 -0.055 0.000 1.281 565 A HN 0.222 nan 8.150 nan 0.000 0.416 566 A N -0.192 122.488 122.820 -0.233 0.000 2.282 566 A HA 0.722 5.042 4.320 -0.000 0.000 0.319 566 A C -0.484 176.998 177.584 -0.169 0.000 1.121 566 A CA -0.140 51.751 52.037 -0.243 0.000 0.836 566 A CB 0.417 19.143 19.000 -0.457 0.000 1.146 566 A HN 1.471 nan 8.150 nan 0.000 0.494 567 H N -0.426 118.502 119.070 -0.237 0.000 2.690 567 H HA 0.592 5.148 4.556 -0.000 0.000 0.368 567 H C -1.158 174.059 175.328 -0.184 0.000 1.150 567 H CA -0.687 55.237 56.048 -0.207 0.000 1.174 567 H CB 1.132 30.724 29.762 -0.284 0.000 1.684 567 H HN 0.863 nan 8.280 nan 0.000 0.538 568 W N 5.509 126.187 121.300 -1.037 0.000 2.799 568 W HA 0.416 5.075 4.660 -0.000 0.000 0.349 568 W C -1.003 174.907 176.519 -1.014 0.000 1.100 568 W CA -1.194 55.694 57.345 -0.761 0.000 1.174 568 W CB 0.968 30.190 29.460 -0.398 0.000 1.427 568 W HN 0.520 nan 8.180 nan 0.000 0.547 569 L N 4.293 125.078 121.223 -0.730 0.000 2.711 569 L HA 0.240 4.579 4.340 -0.000 0.000 0.242 569 L C 1.300 177.842 176.870 -0.546 0.000 1.153 569 L CA 0.980 55.505 54.840 -0.524 0.000 0.898 569 L CB -1.391 40.588 42.059 -0.133 0.000 1.044 569 L HN 1.029 nan 8.230 nan 0.000 0.437 570 G N 0.332 108.305 108.800 -1.379 0.000 2.527 570 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.227 570 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.227 570 G C -0.636 174.147 174.900 -0.194 0.000 1.291 570 G CA -0.394 44.065 45.100 -1.067 0.000 0.904 570 G HN 0.232 nan 8.290 nan 0.000 0.577 571 D N 2.465 122.891 120.400 0.043 0.000 2.558 571 D HA 0.353 4.993 4.640 -0.000 0.000 0.221 571 D C 1.141 177.631 176.300 0.317 0.000 1.143 571 D CA -0.006 54.061 54.000 0.111 0.000 1.010 571 D CB -0.348 40.572 40.800 0.200 0.000 1.068 571 D HN 0.652 nan 8.370 nan 0.000 0.511 572 N N -0.165 118.726 118.700 0.317 0.000 2.328 572 N HA 0.236 4.976 4.740 -0.000 0.000 0.277 572 N C -0.289 175.434 175.510 0.355 0.000 1.286 572 N CA -0.276 52.985 53.050 0.351 0.000 0.949 572 N CB 0.251 38.966 38.487 0.379 0.000 1.136 572 N HN -0.099 nan 8.380 nan 0.000 0.550 573 T N -1.480 113.264 114.554 0.317 0.000 2.886 573 T HA 0.660 5.010 4.350 -0.000 0.000 0.292 573 T C -0.474 174.363 174.700 0.229 0.000 1.012 573 T CA -0.667 61.562 62.100 0.216 0.000 0.982 573 T CB 1.421 70.400 68.868 0.185 0.000 1.018 573 T HN 0.740 nan 8.240 nan 0.000 0.451 574 A N 2.134 125.023 122.820 0.115 0.000 2.535 574 A HA 0.557 4.877 4.320 -0.000 0.000 0.290 574 A C 0.700 178.356 177.584 0.120 0.000 1.270 574 A CA 0.254 52.380 52.037 0.149 0.000 0.937 574 A CB -1.598 17.412 19.000 0.016 0.000 1.096 574 A HN 1.364 nan 8.150 nan 0.000 0.534 575 S N 0.664 116.432 115.700 0.113 0.000 2.560 575 S HA 0.455 4.925 4.470 -0.000 0.000 0.283 575 S C 0.013 174.508 174.600 -0.176 0.000 1.141 575 S CA -0.640 57.565 58.200 0.009 0.000 0.902 575 S CB 0.086 63.297 63.200 0.017 0.000 1.104 575 S HN 0.507 nan 8.310 nan 0.000 0.454 576 W N 1.324 122.507 121.300 -0.196 0.000 2.381 576 W HA 0.021 4.681 4.660 -0.000 0.000 0.301 576 W C 2.002 178.249 176.519 -0.453 0.000 1.205 576 W CA 1.459 58.624 57.345 -0.301 0.000 1.285 576 W CB -0.104 29.236 29.460 -0.200 0.000 1.133 576 W HN 0.957 nan 8.180 nan 0.000 0.521 577 E N 0.116 120.134 120.200 -0.303 0.000 2.055 577 E HA -0.326 4.023 4.350 -0.000 0.000 0.209 577 E C 2.098 177.906 176.600 -1.321 0.000 1.036 577 E CA 1.892 57.759 56.400 -0.888 0.000 0.849 577 E CB -0.576 28.499 29.700 -1.041 0.000 0.767 577 E HN 0.345 nan 8.360 nan 0.000 0.461 578 Q N -0.297 118.972 119.800 -0.885 0.000 2.234 578 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 578 Q C 2.077 177.927 176.000 -0.249 0.000 0.980 578 Q CA 0.918 56.503 55.803 -0.364 0.000 0.869 578 Q CB -0.165 28.605 28.738 0.052 0.000 0.912 578 Q HN 0.435 nan 8.270 nan 0.000 0.436 579 M N 0.522 119.725 119.600 -0.661 0.000 2.156 579 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 579 M C 2.258 178.310 176.300 -0.413 0.000 1.067 579 M CA 1.893 56.598 55.300 -0.992 0.000 1.131 579 M CB -0.122 31.502 32.600 -1.626 0.000 1.368 579 M HN 0.199 nan 8.290 nan 0.000 0.416 580 E N 0.188 120.186 120.200 -0.336 0.000 2.058 580 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 580 E C 1.346 178.004 176.600 0.097 0.000 0.997 580 E CA 1.936 58.267 56.400 -0.115 0.000 0.801 580 E CB -1.620 28.010 29.700 -0.116 0.000 0.746 580 E HN 0.793 nan 8.360 nan 0.000 0.450 581 W N 1.354 122.672 121.300 0.030 0.000 2.468 581 W HA -0.056 4.604 4.660 -0.000 0.000 0.262 581 W C 2.736 179.298 176.519 0.072 0.000 1.241 581 W CA 1.296 58.680 57.345 0.065 0.000 1.232 581 W CB -1.198 28.312 29.460 0.083 0.000 1.124 581 W HN 0.531 nan 8.180 nan 0.000 0.597 582 S N -0.072 115.794 115.700 0.276 0.000 2.402 582 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 582 S C 1.783 176.449 174.600 0.110 0.000 1.021 582 S CA 1.020 59.349 58.200 0.216 0.000 0.974 582 S CB -0.711 62.673 63.200 0.306 0.000 0.800 582 S HN 0.216 nan 8.310 nan 0.000 0.484 583 I N 1.937 122.567 120.570 0.100 0.000 2.113 583 I HA -0.157 4.012 4.170 -0.000 0.000 0.238 583 I C 3.138 179.211 176.117 -0.074 0.000 1.070 583 I CA 1.753 63.032 61.300 -0.035 0.000 1.332 583 I CB -0.896 37.108 38.000 0.006 0.000 1.044 583 I HN 0.463 nan 8.210 nan 0.000 0.402 584 T N -0.050 114.526 114.554 0.037 0.000 2.881 584 T HA -0.084 4.266 4.350 -0.000 0.000 0.270 584 T C 1.795 176.561 174.700 0.111 0.000 1.068 584 T CA 1.538 63.672 62.100 0.057 0.000 1.131 584 T CB -0.503 68.479 68.868 0.190 0.000 0.871 584 T HN 0.489 nan 8.240 nan 0.000 0.479 585 G N 0.887 109.768 108.800 0.133 0.000 2.408 585 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.215 585 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.215 585 G C 1.599 176.615 174.900 0.192 0.000 1.156 585 G CA 0.765 45.981 45.100 0.194 0.000 0.793 585 G HN 0.564 nan 8.290 nan 0.000 0.535 586 M N 0.142 119.765 119.600 0.037 0.000 2.099 586 M HA 0.077 4.557 4.480 -0.000 0.000 0.262 586 M C 2.389 178.657 176.300 -0.053 0.000 1.067 586 M CA 1.288 56.571 55.300 -0.028 0.000 1.124 586 M CB -0.263 32.227 32.600 -0.183 0.000 1.353 586 M HN 0.179 nan 8.290 nan 0.000 0.410 587 L N 0.277 121.386 121.223 -0.191 0.000 2.079 587 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 587 L C 2.245 179.005 176.870 -0.183 0.000 1.081 587 L CA 1.518 56.158 54.840 -0.332 0.000 0.752 587 L CB -0.699 40.889 42.059 -0.784 0.000 0.896 587 L HN 0.411 nan 8.230 nan 0.000 0.433 588 E N -0.483 119.689 120.200 -0.048 0.000 2.106 588 E HA -0.193 4.156 4.350 -0.000 0.000 0.192 588 E C 2.010 178.163 176.600 -0.746 0.000 0.984 588 E CA 1.159 57.405 56.400 -0.257 0.000 0.806 588 E CB -0.031 29.578 29.700 -0.152 0.000 0.750 588 E HN 0.341 nan 8.360 nan 0.000 0.458 589 F N 0.291 120.057 119.950 -0.307 0.000 2.407 589 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 589 F C 2.434 178.174 175.800 -0.100 0.000 1.097 589 F CA 0.579 58.500 58.000 -0.132 0.000 1.422 589 F CB 0.109 39.163 39.000 0.091 0.000 1.067 589 F HN -0.084 nan 8.300 nan 0.000 0.539 590 S N 0.435 116.135 115.700 -0.000 0.000 2.356 590 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 590 S C 2.162 176.739 174.600 -0.038 0.000 1.032 590 S CA 1.117 59.298 58.200 -0.032 0.000 1.005 590 S CB -0.477 62.665 63.200 -0.096 0.000 0.867 590 S HN 0.297 nan 8.310 nan 0.000 0.449 591 L N 0.046 121.197 121.223 -0.120 0.000 2.083 591 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 591 L C 1.659 178.568 176.870 0.065 0.000 1.083 591 L CA 1.083 55.913 54.840 -0.017 0.000 0.752 591 L CB -0.715 41.306 42.059 -0.064 0.000 0.899 591 L HN 0.287 nan 8.230 nan 0.000 0.433 592 F N 0.555 120.518 119.950 0.021 0.000 2.802 592 F HA 0.193 4.720 4.527 -0.000 0.000 0.300 592 F C 1.824 177.658 175.800 0.057 0.000 1.168 592 F CA 0.115 58.098 58.000 -0.027 0.000 1.433 592 F CB -1.381 37.486 39.000 -0.221 0.000 1.115 592 F HN 0.195 nan 8.300 nan 0.000 0.582 593 G N 1.312 110.220 108.800 0.180 0.000 2.246 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.273 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.273 593 G C 0.146 175.093 174.900 0.078 0.000 1.055 593 G CA 0.071 45.211 45.100 0.067 0.000 0.851 593 G HN 0.423 nan 8.290 nan 0.000 0.500 594 I N 0.714 121.386 120.570 0.170 0.000 2.697 594 I HA 0.186 4.355 4.170 -0.000 0.000 0.279 594 I C -1.040 175.181 176.117 0.174 0.000 1.171 594 I CA -2.080 59.336 61.300 0.192 0.000 1.135 594 I CB 1.415 39.618 38.000 0.338 0.000 1.445 594 I HN -0.041 nan 8.210 nan 0.000 0.541 595 P HA -0.109 nan 4.420 nan 0.000 0.222 595 P C 0.728 178.153 177.300 0.208 0.000 1.153 595 P CA 0.588 63.729 63.100 0.069 0.000 0.798 595 P CB 0.606 32.267 31.700 -0.066 0.000 0.796 596 L N 1.248 122.670 121.223 0.332 0.000 2.395 596 L HA 0.318 4.658 4.340 -0.000 0.000 0.268 596 L C -0.452 176.508 176.870 0.150 0.000 1.223 596 L CA -0.243 54.785 54.840 0.313 0.000 1.093 596 L CB -0.474 41.648 42.059 0.105 0.000 1.349 596 L HN -0.260 nan 8.230 nan 0.000 0.427 597 V N 3.810 123.836 119.914 0.187 0.000 2.925 597 V HA 1.022 5.141 4.120 -0.000 0.000 0.311 597 V C -0.134 176.041 176.094 0.135 0.000 1.104 597 V CA 0.290 62.650 62.300 0.100 0.000 0.954 597 V CB 1.966 33.819 31.823 0.051 0.000 1.022 597 V HN 0.732 nan 8.190 nan 0.000 0.427 598 G N 2.998 111.857 108.800 0.098 0.000 2.608 598 G HA2 0.847 4.806 3.960 -0.000 0.000 0.291 598 G HA3 0.847 4.806 3.960 -0.000 0.000 0.291 598 G C -1.042 173.756 174.900 -0.170 0.000 1.425 598 G CA -0.097 44.925 45.100 -0.129 0.000 0.787 598 G HN 1.360 nan 8.290 nan 0.000 0.484 599 A N -0.550 121.998 122.820 -0.454 0.000 2.263 599 A HA 0.743 5.063 4.320 -0.000 0.000 0.318 599 A C -0.729 176.965 177.584 0.183 0.000 1.111 599 A CA -0.550 51.482 52.037 -0.009 0.000 0.901 599 A CB 0.826 19.907 19.000 0.135 0.000 1.280 599 A HN 0.433 nan 8.150 nan 0.000 0.503 600 D N 1.337 121.853 120.400 0.193 0.000 2.393 600 D HA 0.331 4.970 4.640 -0.000 0.000 0.232 600 D C -0.056 176.059 176.300 -0.308 0.000 1.192 600 D CA 0.418 54.448 54.000 0.051 0.000 0.882 600 D CB 0.236 41.144 40.800 0.180 0.000 1.038 600 D HN 0.357 nan 8.370 nan 0.000 0.499 601 I N 1.643 122.039 120.570 -0.290 0.000 2.752 601 I HA -0.153 4.017 4.170 -0.000 0.000 0.289 601 I C 1.139 176.764 176.117 -0.819 0.000 1.197 601 I CA -0.010 60.887 61.300 -0.671 0.000 1.432 601 I CB 0.245 38.150 38.000 -0.158 0.000 1.359 601 I HN 0.587 nan 8.210 nan 0.000 0.571 602 c N 3.904 121.662 118.600 -1.402 0.000 5.538 602 c HA -0.108 4.462 4.570 -0.000 0.000 0.254 602 c C 0.849 174.606 174.090 -0.554 0.000 1.712 602 c CA 0.301 56.267 56.329 -0.604 0.000 1.530 602 c CB -2.398 40.005 42.510 -0.178 0.000 2.410 602 c HN 1.579 nan 8.230 nan 0.000 0.564 603 G N -1.095 107.225 108.800 -0.801 0.000 3.421 603 G HA2 0.098 4.058 3.960 -0.000 0.000 0.686 603 G HA3 0.098 4.058 3.960 -0.000 0.000 0.686 603 G C -0.308 174.540 174.900 -0.086 0.000 1.056 603 G CA 0.107 45.027 45.100 -0.301 0.000 0.891 603 G HN 0.961 nan 8.290 nan 0.000 0.514 604 F N 3.106 122.997 119.950 -0.097 0.000 1.990 604 F HA 0.188 4.715 4.527 -0.000 0.000 0.294 604 F C 1.883 177.618 175.800 -0.109 0.000 1.177 604 F CA 2.009 59.983 58.000 -0.043 0.000 1.167 604 F CB -0.431 38.645 39.000 0.127 0.000 0.971 604 F HN 0.523 nan 8.300 nan 0.000 0.483 605 V N 1.402 121.287 119.914 -0.049 0.000 2.740 605 V HA 0.402 4.522 4.120 -0.000 0.000 0.303 605 V C 0.346 176.125 176.094 -0.525 0.000 1.054 605 V CA -0.555 61.565 62.300 -0.299 0.000 1.106 605 V CB -0.460 31.393 31.823 0.050 0.000 0.957 605 V HN 0.855 nan 8.190 nan 0.000 0.486 606 A N 3.532 125.626 122.820 -1.210 0.000 2.441 606 A HA -0.099 4.221 4.320 -0.000 0.000 0.686 606 A C -0.107 177.036 177.584 -0.735 0.000 0.143 606 A CA -0.051 51.422 52.037 -0.940 0.000 0.029 606 A CB -0.947 17.889 19.000 -0.274 0.000 3.973 606 A HN 0.875 nan 8.150 nan 0.000 0.548 607 E N 0.266 120.311 120.200 -0.258 0.000 2.338 607 E HA 0.404 4.754 4.350 -0.000 0.000 0.272 607 E C 0.538 177.132 176.600 -0.009 0.000 1.029 607 E CA 0.447 56.819 56.400 -0.047 0.000 0.872 607 E CB 1.103 30.853 29.700 0.083 0.000 1.015 607 E HN 0.754 nan 8.360 nan 0.000 0.417 608 T N 1.585 116.161 114.554 0.037 0.000 2.902 608 T HA 0.202 4.552 4.350 -0.000 0.000 0.280 608 T C -0.053 174.753 174.700 0.176 0.000 0.992 608 T CA -0.491 61.666 62.100 0.095 0.000 1.015 608 T CB 0.973 69.905 68.868 0.107 0.000 1.044 608 T HN 0.327 nan 8.240 nan 0.000 0.520 609 T N 3.071 117.723 114.554 0.163 0.000 2.899 609 T HA 0.220 4.570 4.350 -0.000 0.000 0.284 609 T C 1.377 176.202 174.700 0.208 0.000 1.004 609 T CA -0.752 61.469 62.100 0.202 0.000 1.043 609 T CB 1.328 70.322 68.868 0.209 0.000 1.013 609 T HN 0.722 nan 8.240 nan 0.000 0.518 610 E N 1.297 121.645 120.200 0.246 0.000 2.058 610 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 610 E C 1.902 178.488 176.600 -0.024 0.000 0.997 610 E CA 1.631 58.086 56.400 0.093 0.000 0.801 610 E CB -0.029 29.778 29.700 0.179 0.000 0.746 610 E HN 0.831 nan 8.360 nan 0.000 0.450 611 E N 0.004 120.265 120.200 0.101 0.000 2.031 611 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 611 E C 2.470 179.135 176.600 0.108 0.000 0.994 611 E CA 1.139 57.635 56.400 0.160 0.000 0.800 611 E CB -0.203 29.674 29.700 0.295 0.000 0.752 611 E HN 0.191 nan 8.360 nan 0.000 0.447 612 L N 0.925 122.170 121.223 0.037 0.000 1.989 612 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 612 L C 2.567 179.286 176.870 -0.251 0.000 1.071 612 L CA 2.098 56.662 54.840 -0.460 0.000 0.749 612 L CB -0.902 40.888 42.059 -0.448 0.000 0.890 612 L HN 0.366 nan 8.230 nan 0.000 0.431 613 c N -0.142 118.393 118.600 -0.109 0.000 2.435 613 c HA -0.086 4.483 4.570 -0.000 0.000 0.279 613 c C 3.055 177.061 174.090 -0.140 0.000 1.321 613 c CA 0.871 57.148 56.329 -0.087 0.000 1.752 613 c CB -1.029 41.392 42.510 -0.150 0.000 1.959 613 c HN 0.698 nan 8.230 nan 0.000 0.500 614 R N 0.143 120.531 120.500 -0.187 0.000 2.073 614 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 614 R C 2.436 178.699 176.300 -0.062 0.000 1.134 614 R CA 1.430 57.449 56.100 -0.136 0.000 0.952 614 R CB -0.265 29.973 30.300 -0.104 0.000 0.850 614 R HN 0.372 nan 8.270 nan 0.000 0.433 615 R N -0.009 120.454 120.500 -0.062 0.000 2.066 615 R HA -0.157 4.182 4.340 -0.000 0.000 0.232 615 R C 1.950 178.225 176.300 -0.041 0.000 1.131 615 R CA 1.089 57.150 56.100 -0.066 0.000 0.955 615 R CB -1.156 29.095 30.300 -0.083 0.000 0.851 615 R HN 0.436 nan 8.270 nan 0.000 0.432 616 W N 1.015 122.179 121.300 -0.227 0.000 2.350 616 W HA -0.095 4.565 4.660 -0.000 0.000 0.289 616 W C 1.786 178.216 176.519 -0.147 0.000 1.215 616 W CA 0.889 58.125 57.345 -0.182 0.000 1.236 616 W CB -0.199 29.158 29.460 -0.172 0.000 1.130 616 W HN 0.026 nan 8.180 nan 0.000 0.541 617 M N 0.065 119.729 119.600 0.107 0.000 2.175 617 M HA -0.190 4.290 4.480 -0.000 0.000 0.264 617 M C 1.929 178.220 176.300 -0.015 0.000 1.063 617 M CA 1.554 56.859 55.300 0.007 0.000 1.119 617 M CB -1.308 31.262 32.600 -0.051 0.000 1.377 617 M HN 0.141 nan 8.290 nan 0.000 0.415 618 Q N -0.336 119.447 119.800 -0.028 0.000 2.016 618 Q HA -0.182 4.157 4.340 -0.000 0.000 0.200 618 Q C 2.070 178.056 176.000 -0.023 0.000 0.978 618 Q CA 1.275 57.017 55.803 -0.102 0.000 0.833 618 Q CB -0.373 28.224 28.738 -0.236 0.000 0.895 618 Q HN 0.336 nan 8.270 nan 0.000 0.427 619 L N 0.644 121.847 121.223 -0.033 0.000 1.994 619 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 619 L C 2.155 178.953 176.870 -0.119 0.000 1.071 619 L CA 2.394 57.222 54.840 -0.020 0.000 0.745 619 L CB -1.139 40.880 42.059 -0.067 0.000 0.892 619 L HN 0.218 nan 8.230 nan 0.000 0.431 620 G N -0.927 107.740 108.800 -0.222 0.000 2.475 620 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 620 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 620 G C 1.573 176.396 174.900 -0.127 0.000 1.125 620 G CA 0.847 45.710 45.100 -0.395 0.000 0.755 620 G HN 0.704 nan 8.290 nan 0.000 0.565 621 A N -0.322 122.438 122.820 -0.100 0.000 2.131 621 A HA 0.195 4.514 4.320 -0.000 0.000 0.220 621 A C 1.599 178.904 177.584 -0.466 0.000 1.158 621 A CA 0.963 52.834 52.037 -0.278 0.000 0.665 621 A CB -0.349 18.406 19.000 -0.408 0.000 0.795 621 A HN 0.378 nan 8.150 nan 0.000 0.460 622 F N -2.867 117.144 119.950 0.101 0.000 2.688 622 F HA 0.307 4.834 4.527 -0.000 0.000 0.310 622 F C -0.209 176.026 175.800 0.726 0.000 1.098 622 F CA -1.011 57.164 58.000 0.292 0.000 1.228 622 F CB 0.207 39.148 39.000 -0.099 0.000 1.042 622 F HN 0.023 nan 8.300 nan 0.000 0.557 623 Y N 2.102 122.746 120.300 0.572 0.000 2.497 623 Y HA 0.139 4.689 4.550 -0.000 0.000 0.334 623 Y C -1.212 174.941 175.900 0.422 0.000 1.199 623 Y CA -3.107 55.259 58.100 0.443 0.000 1.425 623 Y CB -0.115 38.514 38.460 0.283 0.000 1.291 623 Y HN -0.098 nan 8.280 nan 0.000 0.562 624 P HA -0.201 nan 4.420 nan 0.000 0.215 624 P C -0.106 177.416 177.300 0.370 0.000 1.157 624 P CA 1.495 64.788 63.100 0.322 0.000 0.874 624 P CB 0.125 31.973 31.700 0.246 0.000 0.790 625 F N -0.109 119.962 119.950 0.201 0.000 2.388 625 F HA 0.532 5.059 4.527 -0.000 0.000 0.358 625 F C -0.202 175.711 175.800 0.189 0.000 1.122 625 F CA -1.105 56.965 58.000 0.118 0.000 1.056 625 F CB 0.951 39.989 39.000 0.063 0.000 1.155 625 F HN -0.326 nan 8.300 nan 0.000 0.461 626 S N 7.891 123.354 115.700 -0.396 0.000 2.601 626 S HA 0.541 5.010 4.470 -0.000 0.000 0.312 626 S C -0.870 173.466 174.600 -0.440 0.000 1.107 626 S CA -0.618 57.496 58.200 -0.144 0.000 1.129 626 S CB 0.070 63.371 63.200 0.169 0.000 0.982 626 S HN 0.889 nan 8.310 nan 0.000 0.469 627 R N 4.119 124.325 120.500 -0.491 0.000 2.533 627 R HA 0.319 4.659 4.340 -0.000 0.000 0.288 627 R C -1.571 174.542 176.300 -0.313 0.000 1.039 627 R CA -0.629 55.084 56.100 -0.646 0.000 0.909 627 R CB 0.981 30.772 30.300 -0.848 0.000 1.195 627 R HN 0.587 nan 8.270 nan 0.000 0.438 628 N N 2.811 121.324 118.700 -0.311 0.000 2.444 628 N HA 0.131 4.870 4.740 -0.000 0.000 0.271 628 N C -1.553 173.945 175.510 -0.020 0.000 1.069 628 N CA 0.150 53.160 53.050 -0.067 0.000 0.965 628 N CB 0.911 39.472 38.487 0.122 0.000 1.092 628 N HN 0.666 nan 8.380 nan 0.000 0.476 629 H N 2.112 121.126 119.070 -0.094 0.000 2.930 629 H HA 0.513 5.068 4.556 -0.000 0.000 0.371 629 H C -1.485 173.910 175.328 0.113 0.000 1.169 629 H CA -0.675 55.370 56.048 -0.005 0.000 1.157 629 H CB 1.170 30.899 29.762 -0.055 0.000 1.789 629 H HN 0.543 nan 8.280 nan 0.000 0.547 630 N N 1.129 119.578 118.700 -0.418 0.000 2.277 630 N HA 0.319 5.059 4.740 -0.000 0.000 0.286 630 N C -1.330 173.842 175.510 -0.564 0.000 1.140 630 N CA -0.470 52.363 53.050 -0.361 0.000 0.799 630 N CB 2.586 40.899 38.487 -0.290 0.000 1.596 630 N HN 0.526 nan 8.380 nan 0.000 0.473 631 S N 0.435 115.616 115.700 -0.865 0.000 2.632 631 S HA 0.198 4.668 4.470 -0.000 0.000 0.267 631 S C -0.430 173.970 174.600 -0.334 0.000 1.276 631 S CA -0.420 57.289 58.200 -0.819 0.000 0.998 631 S CB 0.415 62.963 63.200 -1.087 0.000 0.953 631 S HN 0.564 nan 8.310 nan 0.000 0.547 632 D N 0.851 120.922 120.400 -0.548 0.000 2.525 632 D HA 0.333 4.973 4.640 -0.000 0.000 0.235 632 D C 1.321 177.197 176.300 -0.706 0.000 1.137 632 D CA 1.983 55.410 54.000 -0.955 0.000 0.868 632 D CB 0.092 39.747 40.800 -1.908 0.000 1.180 632 D HN 0.823 nan 8.370 nan 0.000 0.465 633 G N 2.439 110.864 108.800 -0.624 0.000 2.336 633 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.233 633 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.233 633 G C 0.165 174.720 174.900 -0.575 0.000 1.053 633 G CA 0.374 45.111 45.100 -0.606 0.000 0.625 633 G HN 0.536 nan 8.290 nan 0.000 0.511 634 Y N 1.778 121.875 120.300 -0.338 0.000 2.336 634 Y HA 0.535 5.084 4.550 -0.000 0.000 0.331 634 Y C 0.985 176.675 175.900 -0.350 0.000 1.211 634 Y CA -0.180 57.750 58.100 -0.284 0.000 1.346 634 Y CB 0.474 38.781 38.460 -0.255 0.000 1.271 634 Y HN 0.320 nan 8.280 nan 0.000 0.538 635 E N 1.430 121.546 120.200 -0.140 0.000 2.508 635 E HA -0.104 4.246 4.350 -0.000 0.000 0.266 635 E C -0.902 175.413 176.600 -0.474 0.000 1.010 635 E CA 0.164 56.392 56.400 -0.287 0.000 0.955 635 E CB 0.140 29.741 29.700 -0.165 0.000 0.946 635 E HN 0.522 nan 8.360 nan 0.000 0.454 636 H N 1.665 120.301 119.070 -0.724 0.000 3.016 636 H HA -0.012 4.543 4.556 -0.000 0.000 0.345 636 H C 0.419 175.286 175.328 -0.769 0.000 1.066 636 H CA 1.606 57.169 56.048 -0.807 0.000 1.390 636 H CB 0.497 29.619 29.762 -1.065 0.000 1.344 636 H HN 0.497 nan 8.280 nan 0.000 0.605 637 Q N 1.541 121.216 119.800 -0.208 0.000 2.057 637 Q HA 0.097 4.437 4.340 -0.000 0.000 0.216 637 Q C -0.878 175.283 176.000 0.268 0.000 0.788 637 Q CA -0.530 55.308 55.803 0.059 0.000 1.053 637 Q CB 0.444 29.233 28.738 0.085 0.000 1.210 637 Q HN 0.721 nan 8.270 nan 0.000 0.455 638 D N 0.793 121.308 120.400 0.192 0.000 2.382 638 D HA 0.060 4.700 4.640 -0.000 0.000 0.240 638 D C -1.763 174.756 176.300 0.364 0.000 1.146 638 D CA -1.251 52.888 54.000 0.233 0.000 0.897 638 D CB 1.556 42.449 40.800 0.155 0.000 1.197 638 D HN -0.161 nan 8.370 nan 0.000 0.432 639 P HA -0.169 nan 4.420 nan 0.000 0.215 639 P C 1.312 178.810 177.300 0.330 0.000 1.157 639 P CA 2.194 65.464 63.100 0.283 0.000 0.874 639 P CB -0.050 31.703 31.700 0.088 0.000 0.790 640 A N -1.689 121.251 122.820 0.200 0.000 2.121 640 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 640 A C 1.939 179.607 177.584 0.140 0.000 1.154 640 A CA 0.703 52.824 52.037 0.139 0.000 0.679 640 A CB -1.812 17.230 19.000 0.070 0.000 0.795 640 A HN 0.184 nan 8.150 nan 0.000 0.458 641 F N -0.752 119.213 119.950 0.025 0.000 2.451 641 F HA -0.026 4.500 4.527 -0.000 0.000 0.299 641 F C 1.180 176.881 175.800 -0.165 0.000 1.101 641 F CA 0.930 58.864 58.000 -0.109 0.000 1.436 641 F CB -0.155 38.730 39.000 -0.192 0.000 1.074 641 F HN 0.218 nan 8.300 nan 0.000 0.553 642 F N 1.057 121.028 119.950 0.035 0.000 2.811 642 F HA 0.342 4.868 4.527 -0.000 0.000 0.301 642 F C 1.081 176.824 175.800 -0.095 0.000 1.151 642 F CA 0.737 58.721 58.000 -0.028 0.000 1.412 642 F CB -0.328 38.717 39.000 0.074 0.000 1.113 642 F HN 0.038 nan 8.300 nan 0.000 0.579 643 G N 0.249 109.055 108.800 0.009 0.000 2.841 643 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.684 643 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.684 643 G C 0.086 174.999 174.900 0.021 0.000 1.273 643 G CA -0.842 44.248 45.100 -0.016 0.000 0.811 643 G HN -0.094 nan 8.290 nan 0.000 0.631 644 Q N 0.590 120.390 119.800 -0.001 0.000 2.170 644 Q HA -0.083 4.257 4.340 -0.000 0.000 0.203 644 Q C 1.685 177.692 176.000 0.013 0.000 0.976 644 Q CA 1.831 57.639 55.803 0.009 0.000 0.858 644 Q CB 0.040 28.778 28.738 -0.000 0.000 0.907 644 Q HN 0.659 nan 8.270 nan 0.000 0.433 645 N N 0.098 118.805 118.700 0.010 0.000 2.275 645 N HA 0.014 4.754 4.740 -0.000 0.000 0.236 645 N C -0.637 174.884 175.510 0.019 0.000 1.154 645 N CA -0.104 52.953 53.050 0.011 0.000 0.866 645 N CB 0.765 39.255 38.487 0.006 0.000 1.093 645 N HN 0.054 nan 8.380 nan 0.000 0.515 646 S N -0.303 115.416 115.700 0.032 0.000 2.592 646 S HA 0.117 4.587 4.470 -0.000 0.000 0.271 646 S C 1.184 175.802 174.600 0.030 0.000 1.326 646 S CA -0.716 57.511 58.200 0.045 0.000 1.024 646 S CB 1.110 64.363 63.200 0.089 0.000 0.921 646 S HN 0.121 nan 8.310 nan 0.000 0.527 647 L N 2.413 123.652 121.223 0.026 0.000 2.131 647 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 647 L C 2.085 178.955 176.870 0.001 0.000 1.092 647 L CA 1.508 56.357 54.840 0.015 0.000 0.759 647 L CB -1.016 41.055 42.059 0.020 0.000 0.903 647 L HN 0.933 nan 8.230 nan 0.000 0.435 648 L N -1.803 119.408 121.223 -0.021 0.000 2.012 648 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 648 L C 2.327 179.176 176.870 -0.035 0.000 1.073 648 L CA 1.501 56.294 54.840 -0.077 0.000 0.748 648 L CB -0.241 41.683 42.059 -0.225 0.000 0.891 648 L HN 0.090 nan 8.230 nan 0.000 0.431 649 V N 0.425 120.343 119.914 0.006 0.000 2.343 649 V HA -0.301 3.818 4.120 -0.000 0.000 0.247 649 V C 3.136 179.227 176.094 -0.005 0.000 1.051 649 V CA 2.339 64.647 62.300 0.013 0.000 1.036 649 V CB -1.033 30.813 31.823 0.038 0.000 0.654 649 V HN 0.627 nan 8.190 nan 0.000 0.451 650 K N -0.282 120.116 120.400 -0.002 0.000 2.032 650 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 650 K C 2.451 179.039 176.600 -0.020 0.000 1.048 650 K CA 2.203 58.482 56.287 -0.013 0.000 0.927 650 K CB -1.349 31.147 32.500 -0.007 0.000 0.712 650 K HN 0.497 nan 8.250 nan 0.000 0.441 651 S N 0.259 115.965 115.700 0.011 0.000 2.343 651 S HA -0.152 4.318 4.470 -0.000 0.000 0.219 651 S C 2.409 177.072 174.600 0.105 0.000 1.033 651 S CA 1.974 60.221 58.200 0.077 0.000 1.014 651 S CB -0.539 62.727 63.200 0.111 0.000 0.915 651 S HN 0.619 nan 8.310 nan 0.000 0.435 652 S N 1.365 117.086 115.700 0.035 0.000 2.365 652 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 652 S C 1.971 176.537 174.600 -0.056 0.000 1.039 652 S CA 1.627 59.815 58.200 -0.021 0.000 1.033 652 S CB -0.569 62.577 63.200 -0.090 0.000 0.887 652 S HN 0.604 nan 8.310 nan 0.000 0.447 653 R N 1.014 121.477 120.500 -0.061 0.000 2.073 653 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 653 R C 2.566 178.812 176.300 -0.090 0.000 1.134 653 R CA 1.481 57.535 56.100 -0.077 0.000 0.952 653 R CB -0.310 29.956 30.300 -0.056 0.000 0.850 653 R HN 0.437 nan 8.270 nan 0.000 0.433 654 Q N -0.622 119.103 119.800 -0.126 0.000 2.096 654 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 654 Q C 1.494 177.312 176.000 -0.303 0.000 0.982 654 Q CA 1.886 57.539 55.803 -0.251 0.000 0.850 654 Q CB -0.037 28.462 28.738 -0.399 0.000 0.901 654 Q HN 0.527 nan 8.270 nan 0.000 0.422 655 Y N -0.446 119.844 120.300 -0.017 0.000 2.448 655 Y HA -0.017 4.533 4.550 -0.000 0.000 0.289 655 Y C 2.066 177.890 175.900 -0.126 0.000 1.114 655 Y CA 0.215 58.304 58.100 -0.018 0.000 1.235 655 Y CB 0.254 38.740 38.460 0.043 0.000 1.045 655 Y HN 0.062 nan 8.280 nan 0.000 0.554 656 L N -0.804 120.415 121.223 -0.006 0.000 2.141 656 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 656 L C 2.166 179.093 176.870 0.095 0.000 1.094 656 L CA 1.354 56.182 54.840 -0.020 0.000 0.763 656 L CB -0.637 41.341 42.059 -0.135 0.000 0.908 656 L HN 0.217 nan 8.230 nan 0.000 0.437 657 T N 0.112 114.676 114.554 0.016 0.000 2.777 657 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 657 T C 1.921 176.694 174.700 0.123 0.000 1.040 657 T CA 1.212 63.340 62.100 0.047 0.000 1.141 657 T CB -0.132 68.728 68.868 -0.014 0.000 0.868 657 T HN 0.173 nan 8.240 nan 0.000 0.444 658 I N 0.746 121.365 120.570 0.082 0.000 2.163 658 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 658 I C 2.811 178.988 176.117 0.099 0.000 1.085 658 I CA 1.279 62.648 61.300 0.116 0.000 1.347 658 I CB -0.326 37.756 38.000 0.136 0.000 1.044 658 I HN 0.159 nan 8.210 nan 0.000 0.408 659 R N 0.411 120.908 120.500 -0.006 0.000 2.103 659 R HA -0.264 4.076 4.340 -0.000 0.000 0.234 659 R C 2.494 178.919 176.300 0.208 0.000 1.132 659 R CA 2.240 58.339 56.100 -0.002 0.000 0.925 659 R CB -0.653 29.590 30.300 -0.094 0.000 0.842 659 R HN 0.206 nan 8.270 nan 0.000 0.430 660 Y N 1.058 121.424 120.300 0.110 0.000 2.151 660 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 660 Y C 2.686 178.719 175.900 0.221 0.000 1.166 660 Y CA 2.152 60.352 58.100 0.166 0.000 1.163 660 Y CB -0.682 37.861 38.460 0.138 0.000 0.974 660 Y HN 0.230 nan 8.280 nan 0.000 0.511 661 T N 0.084 114.844 114.554 0.343 0.000 2.803 661 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 661 T C 1.748 176.654 174.700 0.344 0.000 1.052 661 T CA 1.424 63.706 62.100 0.302 0.000 1.136 661 T CB -0.466 68.562 68.868 0.266 0.000 0.864 661 T HN 0.270 nan 8.240 nan 0.000 0.467 662 L N 0.198 121.647 121.223 0.378 0.000 2.592 662 L HA 0.262 4.602 4.340 -0.000 0.000 0.227 662 L C 2.009 179.220 176.870 0.568 0.000 1.127 662 L CA -0.007 55.141 54.840 0.513 0.000 0.884 662 L CB -0.440 41.970 42.059 0.586 0.000 1.065 662 L HN 0.217 nan 8.230 nan 0.000 0.457 663 L N 0.467 121.939 121.223 0.414 0.000 2.081 663 L HA -0.182 4.157 4.340 -0.000 0.000 0.212 663 L C -0.188 176.968 176.870 0.476 0.000 1.080 663 L CA 1.614 56.624 54.840 0.284 0.000 0.754 663 L CB -1.512 40.576 42.059 0.048 0.000 0.893 663 L HN 0.257 nan 8.230 nan 0.000 0.433 664 P HA -0.239 nan 4.420 nan 0.000 0.216 664 P C 1.493 179.327 177.300 0.890 0.000 1.153 664 P CA 1.411 65.078 63.100 0.944 0.000 0.858 664 P CB -0.084 32.110 31.700 0.823 0.000 0.789 665 F N 0.475 120.770 119.950 0.575 0.000 2.075 665 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 665 F C 2.018 178.061 175.800 0.405 0.000 1.113 665 F CA 1.155 59.457 58.000 0.503 0.000 1.218 665 F CB -1.321 37.959 39.000 0.466 0.000 0.984 665 F HN -0.241 nan 8.300 nan 0.000 0.472 666 L N -0.156 121.113 121.223 0.077 0.000 1.990 666 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 666 L C 2.317 179.215 176.870 0.047 0.000 1.072 666 L CA 2.124 56.796 54.840 -0.281 0.000 0.755 666 L CB -1.597 40.258 42.059 -0.339 0.000 0.889 666 L HN 0.336 nan 8.230 nan 0.000 0.432 667 Y N 0.166 120.543 120.300 0.129 0.000 2.151 667 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 667 Y C 2.496 178.570 175.900 0.290 0.000 1.166 667 Y CA 2.322 60.558 58.100 0.226 0.000 1.163 667 Y CB -0.753 37.890 38.460 0.305 0.000 0.974 667 Y HN 0.271 nan 8.280 nan 0.000 0.511 668 T N 0.829 115.627 114.554 0.407 0.000 2.788 668 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 668 T C 2.053 176.853 174.700 0.167 0.000 1.044 668 T CA 1.633 63.940 62.100 0.345 0.000 1.139 668 T CB -0.477 68.722 68.868 0.552 0.000 0.867 668 T HN 0.299 nan 8.240 nan 0.000 0.454 669 L N -0.443 120.771 121.223 -0.015 0.000 2.083 669 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 669 L C 2.254 178.979 176.870 -0.241 0.000 1.083 669 L CA 1.233 55.966 54.840 -0.179 0.000 0.752 669 L CB -0.620 41.178 42.059 -0.436 0.000 0.899 669 L HN 0.187 nan 8.230 nan 0.000 0.433 670 F N -0.810 119.003 119.950 -0.229 0.000 2.186 670 F HA -0.249 4.277 4.527 -0.000 0.000 0.299 670 F C 2.567 178.167 175.800 -0.334 0.000 1.090 670 F CA 1.443 59.278 58.000 -0.275 0.000 1.307 670 F CB -0.643 38.173 39.000 -0.308 0.000 1.019 670 F HN 0.035 nan 8.300 nan 0.000 0.489 671 Y N 0.996 121.070 120.300 -0.377 0.000 2.145 671 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 671 Y C 2.229 177.900 175.900 -0.380 0.000 1.145 671 Y CA 1.830 59.548 58.100 -0.637 0.000 1.148 671 Y CB -0.584 37.214 38.460 -1.102 0.000 0.981 671 Y HN -0.089 nan 8.280 nan 0.000 0.507 672 K N 0.208 120.384 120.400 -0.374 0.000 2.147 672 K HA -0.102 4.217 4.320 -0.000 0.000 0.205 672 K C 2.339 178.789 176.600 -0.250 0.000 1.049 672 K CA 1.025 57.137 56.287 -0.291 0.000 0.936 672 K CB -0.357 32.182 32.500 0.066 0.000 0.722 672 K HN 0.465 nan 8.250 nan 0.000 0.446 673 A N 0.485 123.171 122.820 -0.223 0.000 1.858 673 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 673 A C 1.964 179.419 177.584 -0.215 0.000 1.190 673 A CA 1.975 53.903 52.037 -0.182 0.000 0.617 673 A CB -0.903 17.991 19.000 -0.177 0.000 0.827 673 A HN 0.470 nan 8.150 nan 0.000 0.443 674 H N -0.892 117.976 119.070 -0.336 0.000 2.422 674 H HA -0.062 4.494 4.556 -0.000 0.000 0.298 674 H C 1.643 176.693 175.328 -0.463 0.000 1.098 674 H CA 2.038 57.871 56.048 -0.357 0.000 1.315 674 H CB 0.044 29.595 29.762 -0.353 0.000 1.382 674 H HN 0.162 nan 8.280 nan 0.000 0.523 675 V N -0.970 118.532 119.914 -0.686 0.000 2.436 675 V HA -0.037 4.082 4.120 -0.000 0.000 0.240 675 V C 1.468 177.054 176.094 -0.847 0.000 1.040 675 V CA 1.533 63.268 62.300 -0.943 0.000 1.052 675 V CB -0.302 30.652 31.823 -1.448 0.000 0.707 675 V HN 0.376 nan 8.190 nan 0.000 0.469 676 F N 0.134 119.893 119.950 -0.317 0.000 2.731 676 F HA 0.495 5.022 4.527 -0.000 0.000 0.298 676 F C 1.771 177.459 175.800 -0.188 0.000 1.106 676 F CA 0.681 58.553 58.000 -0.214 0.000 1.329 676 F CB 0.349 39.249 39.000 -0.168 0.000 1.100 676 F HN 0.267 nan 8.300 nan 0.000 0.592 677 G N 1.140 109.891 108.800 -0.082 0.000 2.137 677 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.237 677 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.237 677 G C -0.038 174.834 174.900 -0.046 0.000 1.002 677 G CA -0.255 44.784 45.100 -0.101 0.000 0.702 677 G HN 0.367 nan 8.290 nan 0.000 0.515 678 E N 0.719 120.910 120.200 -0.015 0.000 2.392 678 E HA 0.458 4.807 4.350 -0.000 0.000 0.256 678 E C 1.115 177.687 176.600 -0.048 0.000 1.145 678 E CA 0.523 56.922 56.400 -0.003 0.000 0.929 678 E CB 0.418 30.131 29.700 0.021 0.000 0.998 678 E HN 0.414 nan 8.360 nan 0.000 0.442 679 T N -1.669 112.872 114.554 -0.021 0.000 2.909 679 T HA 0.237 4.587 4.350 -0.000 0.000 0.286 679 T C 0.853 175.457 174.700 -0.159 0.000 1.002 679 T CA -0.959 61.098 62.100 -0.072 0.000 1.074 679 T CB 1.320 70.171 68.868 -0.027 0.000 0.984 679 T HN 0.162 nan 8.240 nan 0.000 0.495 680 V N 1.399 121.146 119.914 -0.279 0.000 2.339 680 V HA 0.284 4.403 4.120 -0.000 0.000 0.234 680 V C 1.785 177.735 176.094 -0.240 0.000 1.053 680 V CA 0.978 63.012 62.300 -0.444 0.000 1.042 680 V CB -0.948 30.328 31.823 -0.910 0.000 0.678 680 V HN 1.115 nan 8.190 nan 0.000 0.475 681 A N 2.716 125.457 122.820 -0.133 0.000 2.376 681 A HA 0.467 4.786 4.320 -0.000 0.000 0.298 681 A C 0.445 178.058 177.584 0.047 0.000 1.271 681 A CA -0.190 51.930 52.037 0.139 0.000 0.926 681 A CB -0.484 18.624 19.000 0.180 0.000 1.141 681 A HN 0.605 nan 8.150 nan 0.000 0.539 682 R N 3.200 123.755 120.500 0.091 0.000 2.668 682 R HA 0.716 5.055 4.340 -0.000 0.000 0.279 682 R C -3.013 173.251 176.300 -0.060 0.000 0.976 682 R CA -1.913 54.136 56.100 -0.085 0.000 0.978 682 R CB 1.527 31.779 30.300 -0.080 0.000 1.133 682 R HN 0.343 nan 8.270 nan 0.000 0.484 683 P HA 0.001 nan 4.420 nan 0.000 0.274 683 P C 0.846 178.193 177.300 0.079 0.000 1.237 683 P CA -0.507 62.497 63.100 -0.161 0.000 0.793 683 P CB 0.946 32.440 31.700 -0.343 0.000 0.977 684 V N 1.899 121.934 119.914 0.202 0.000 2.594 684 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 684 V C 2.339 178.702 176.094 0.448 0.000 1.069 684 V CA 2.130 64.655 62.300 0.374 0.000 1.082 684 V CB -1.432 30.614 31.823 0.371 0.000 0.680 684 V HN 0.554 nan 8.190 nan 0.000 0.469 685 L N -2.184 119.265 121.223 0.377 0.000 2.275 685 L HA -0.068 4.271 4.340 -0.000 0.000 0.215 685 L C 2.308 179.438 176.870 0.434 0.000 1.119 685 L CA 1.695 56.783 54.840 0.414 0.000 0.790 685 L CB -1.188 41.048 42.059 0.295 0.000 0.919 685 L HN 0.318 nan 8.230 nan 0.000 0.443 686 H N 0.174 119.355 119.070 0.186 0.000 2.421 686 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 686 H C 1.547 176.998 175.328 0.205 0.000 1.087 686 H CA 1.425 57.571 56.048 0.164 0.000 1.330 686 H CB 0.430 30.243 29.762 0.086 0.000 1.388 686 H HN 0.513 nan 8.280 nan 0.000 0.526 687 E N 0.098 120.391 120.200 0.156 0.000 2.251 687 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 687 E C 0.149 176.368 176.600 -0.636 0.000 0.964 687 E CA 0.380 56.592 56.400 -0.313 0.000 0.868 687 E CB 0.335 29.640 29.700 -0.657 0.000 0.828 687 E HN 0.332 nan 8.360 nan 0.000 0.481 688 F N 0.778 120.792 119.950 0.106 0.000 2.879 688 F HA 0.147 4.674 4.527 -0.000 0.000 0.354 688 F C 0.786 176.636 175.800 0.085 0.000 1.291 688 F CA -0.863 57.157 58.000 0.034 0.000 1.238 688 F CB -0.355 38.765 39.000 0.199 0.000 1.005 688 F HN -0.033 nan 8.300 nan 0.000 0.508 689 Y N -1.128 119.373 120.300 0.335 0.000 2.421 689 Y HA -0.022 4.528 4.550 -0.000 0.000 0.292 689 Y C 1.430 177.596 175.900 0.444 0.000 1.136 689 Y CA 0.558 58.908 58.100 0.418 0.000 1.255 689 Y CB -0.959 37.633 38.460 0.221 0.000 0.991 689 Y HN 0.085 nan 8.280 nan 0.000 0.552 690 E N 0.373 120.670 120.200 0.162 0.000 2.333 690 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 690 E C -0.022 176.651 176.600 0.121 0.000 1.007 690 E CA 1.233 57.743 56.400 0.183 0.000 0.845 690 E CB -0.157 29.581 29.700 0.063 0.000 0.766 690 E HN 0.387 nan 8.360 nan 0.000 0.507 691 D N -0.271 120.201 120.400 0.120 0.000 2.349 691 D HA 0.049 4.689 4.640 -0.000 0.000 0.232 691 D C 0.587 176.733 176.300 -0.256 0.000 1.071 691 D CA -0.225 53.772 54.000 -0.005 0.000 0.832 691 D CB 1.170 42.050 40.800 0.133 0.000 1.086 691 D HN 0.010 nan 8.370 nan 0.000 0.504 692 T N 1.005 115.204 114.554 -0.592 0.000 3.098 692 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 692 T C 1.128 175.426 174.700 -0.671 0.000 1.145 692 T CA 0.427 61.794 62.100 -1.222 0.000 1.092 692 T CB -0.011 68.107 68.868 -1.250 0.000 0.908 692 T HN 0.246 nan 8.240 nan 0.000 0.526 693 N N 1.936 120.379 118.700 -0.428 0.000 2.409 693 N HA -0.035 4.705 4.740 -0.000 0.000 0.179 693 N C 2.143 177.357 175.510 -0.494 0.000 1.032 693 N CA 1.309 54.072 53.050 -0.478 0.000 0.898 693 N CB -0.180 37.904 38.487 -0.673 0.000 0.971 693 N HN 0.736 nan 8.380 nan 0.000 0.441 694 S N -0.593 114.965 115.700 -0.236 0.000 2.453 694 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 694 S C 1.550 176.344 174.600 0.323 0.000 1.005 694 S CA 0.116 58.366 58.200 0.083 0.000 0.949 694 S CB -0.441 62.983 63.200 0.374 0.000 0.774 694 S HN 0.264 nan 8.310 nan 0.000 0.510 695 W N 2.787 124.102 121.300 0.026 0.000 2.364 695 W HA 0.123 4.783 4.660 -0.000 0.000 0.281 695 W C 2.131 178.815 176.519 0.276 0.000 1.219 695 W CA 0.354 57.764 57.345 0.108 0.000 1.220 695 W CB -0.729 28.646 29.460 -0.142 0.000 1.127 695 W HN 0.581 nan 8.180 nan 0.000 0.556 696 I N -2.586 118.222 120.570 0.397 0.000 4.057 696 I HA 0.237 4.407 4.170 -0.000 0.000 0.334 696 I C 0.484 176.754 176.117 0.256 0.000 1.308 696 I CA -0.107 61.394 61.300 0.335 0.000 1.125 696 I CB -0.260 37.881 38.000 0.236 0.000 1.034 696 I HN -0.357 nan 8.210 nan 0.000 0.401 697 E N 3.504 123.826 120.200 0.203 0.000 2.324 697 E HA 0.046 4.396 4.350 -0.000 0.000 0.271 697 E C -0.439 176.283 176.600 0.203 0.000 1.028 697 E CA 0.361 56.856 56.400 0.158 0.000 0.890 697 E CB 0.480 30.251 29.700 0.119 0.000 1.004 697 E HN 0.585 nan 8.360 nan 0.000 0.431 698 D N 1.064 121.565 120.400 0.167 0.000 2.704 698 D HA -0.021 4.619 4.640 -0.000 0.000 0.291 698 D C 0.078 176.450 176.300 0.120 0.000 1.610 698 D CA 0.040 54.122 54.000 0.136 0.000 0.807 698 D CB -0.562 40.362 40.800 0.206 0.000 1.233 698 D HN 0.321 nan 8.370 nan 0.000 0.445 699 T N -1.881 112.744 114.554 0.118 0.000 3.134 699 T HA 0.306 4.656 4.350 -0.000 0.000 0.260 699 T C 0.256 175.025 174.700 0.115 0.000 1.027 699 T CA -0.299 61.864 62.100 0.105 0.000 0.913 699 T CB 0.048 68.960 68.868 0.073 0.000 1.046 699 T HN 0.380 nan 8.240 nan 0.000 0.553 700 E N 0.737 121.027 120.200 0.150 0.000 2.392 700 E HA 0.641 4.991 4.350 -0.000 0.000 0.279 700 E C -1.193 175.571 176.600 0.274 0.000 0.964 700 E CA -1.403 55.090 56.400 0.155 0.000 0.777 700 E CB 1.509 31.204 29.700 -0.009 0.000 1.249 700 E HN 0.314 nan 8.360 nan 0.000 0.449 701 F N -0.697 119.250 119.950 -0.005 0.000 2.824 701 F HA 0.776 5.303 4.527 -0.000 0.000 0.330 701 F C -1.722 174.124 175.800 0.077 0.000 1.175 701 F CA -1.497 56.521 58.000 0.031 0.000 0.974 701 F CB 1.106 40.127 39.000 0.035 0.000 1.430 701 F HN 0.318 nan 8.300 nan 0.000 0.507 702 L N 0.559 121.920 121.223 0.231 0.000 2.341 702 L HA 0.408 4.748 4.340 -0.000 0.000 0.267 702 L C -1.528 175.606 176.870 0.441 0.000 1.009 702 L CA -0.616 54.345 54.840 0.202 0.000 0.819 702 L CB 1.693 43.914 42.059 0.270 0.000 1.323 702 L HN 0.537 nan 8.230 nan 0.000 0.425 703 W N 2.426 123.806 121.300 0.133 0.000 2.342 703 W HA 0.534 5.193 4.660 -0.000 0.000 0.310 703 W C 0.954 177.563 176.519 0.150 0.000 1.128 703 W CA 0.035 57.466 57.345 0.143 0.000 1.322 703 W CB 0.236 29.816 29.460 0.201 0.000 1.251 703 W HN 0.798 nan 8.180 nan 0.000 0.439 704 G N 5.728 114.646 108.800 0.198 0.000 2.594 704 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.297 704 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.297 704 G C -1.335 173.674 174.900 0.181 0.000 1.273 704 G CA 0.395 45.583 45.100 0.147 0.000 0.974 704 G HN 0.361 nan 8.290 nan 0.000 0.552 705 P HA 0.283 nan 4.420 nan 0.000 0.245 705 P C 1.153 178.310 177.300 -0.238 0.000 1.203 705 P CA 2.092 65.132 63.100 -0.099 0.000 0.792 705 P CB 0.377 31.929 31.700 -0.247 0.000 0.997 706 A N -0.705 122.088 122.820 -0.046 0.000 2.013 706 A HA 0.264 4.584 4.320 -0.000 0.000 0.204 706 A C 0.812 178.516 177.584 0.200 0.000 1.262 706 A CA 0.273 52.239 52.037 -0.117 0.000 0.800 706 A CB -0.470 18.430 19.000 -0.167 0.000 0.909 706 A HN 0.198 nan 8.150 nan 0.000 0.472 707 L N 0.624 122.046 121.223 0.331 0.000 2.296 707 L HA 0.660 5.000 4.340 -0.000 0.000 0.286 707 L C -0.972 176.002 176.870 0.174 0.000 1.023 707 L CA -0.687 54.315 54.840 0.269 0.000 0.812 707 L CB 1.607 43.811 42.059 0.241 0.000 1.223 707 L HN 0.239 nan 8.230 nan 0.000 0.421 708 L N 6.456 127.758 121.223 0.131 0.000 2.282 708 L HA 0.605 4.945 4.340 -0.000 0.000 0.288 708 L C -0.971 175.706 176.870 -0.322 0.000 1.033 708 L CA 0.105 54.884 54.840 -0.101 0.000 0.807 708 L CB 1.140 43.023 42.059 -0.293 0.000 1.209 708 L HN 0.551 nan 8.230 nan 0.000 0.423 709 I N 4.390 124.637 120.570 -0.539 0.000 2.382 709 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 709 I C -0.462 175.354 176.117 -0.503 0.000 1.007 709 I CA -0.088 60.773 61.300 -0.731 0.000 1.142 709 I CB 1.673 38.945 38.000 -1.214 0.000 1.289 709 I HN 0.547 nan 8.210 nan 0.000 0.453 710 T N 6.999 121.345 114.554 -0.346 0.000 2.963 710 T HA 0.390 4.739 4.350 -0.000 0.000 0.343 710 T C -2.539 172.053 174.700 -0.180 0.000 1.146 710 T CA -1.387 60.590 62.100 -0.205 0.000 1.016 710 T CB 0.787 69.560 68.868 -0.159 0.000 1.046 710 T HN 0.268 nan 8.240 nan 0.000 0.496 711 P HA 0.418 nan 4.420 nan 0.000 0.281 711 P C -0.456 176.805 177.300 -0.065 0.000 1.264 711 P CA -0.605 62.431 63.100 -0.107 0.000 0.824 711 P CB 1.049 32.719 31.700 -0.050 0.000 1.092 712 V N 2.830 122.712 119.914 -0.053 0.000 2.498 712 V HA 0.125 4.244 4.120 -0.000 0.000 0.279 712 V C 1.328 177.465 176.094 0.071 0.000 1.048 712 V CA 0.266 62.569 62.300 0.004 0.000 0.967 712 V CB 0.387 32.223 31.823 0.022 0.000 0.988 712 V HN 0.456 nan 8.190 nan 0.000 0.473 713 L N 3.903 125.179 121.223 0.087 0.000 3.217 713 L HA 0.345 4.685 4.340 -0.000 0.000 0.288 713 L C 0.332 177.318 176.870 0.194 0.000 1.202 713 L CA -0.012 54.907 54.840 0.131 0.000 1.027 713 L CB 0.345 42.420 42.059 0.027 0.000 1.427 713 L HN 0.448 nan 8.230 nan 0.000 0.600 714 K N 1.350 121.768 120.400 0.031 0.000 2.207 714 K HA 0.312 4.632 4.320 -0.000 0.000 0.255 714 K C -0.418 175.737 176.600 -0.741 0.000 0.941 714 K CA -0.507 55.641 56.287 -0.231 0.000 0.825 714 K CB 2.049 34.443 32.500 -0.175 0.000 1.119 714 K HN -0.143 nan 8.250 nan 0.000 0.430 715 Q N 0.499 119.511 119.800 -1.314 0.000 2.300 715 Q HA 0.086 4.426 4.340 -0.000 0.000 0.280 715 Q C 0.662 176.195 176.000 -0.778 0.000 1.033 715 Q CA 1.574 56.278 55.803 -1.832 0.000 0.903 715 Q CB 0.458 28.251 28.738 -1.575 0.000 1.195 715 Q HN 0.890 nan 8.270 nan 0.000 0.386 716 G N 2.675 111.156 108.800 -0.532 0.000 2.212 716 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.266 716 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.266 716 G C 0.264 175.071 174.900 -0.155 0.000 0.978 716 G CA 0.305 45.267 45.100 -0.231 0.000 0.632 716 G HN 0.982 nan 8.290 nan 0.000 0.537 717 A N -0.051 122.653 122.820 -0.192 0.000 2.462 717 A HA 0.558 4.877 4.320 -0.000 0.000 0.243 717 A C 0.971 178.524 177.584 -0.051 0.000 1.076 717 A CA 1.185 53.157 52.037 -0.107 0.000 0.773 717 A CB 0.468 19.398 19.000 -0.116 0.000 1.010 717 A HN 0.326 nan 8.150 nan 0.000 0.493 718 D N -0.235 120.153 120.400 -0.019 0.000 2.454 718 D HA 0.171 4.811 4.640 -0.000 0.000 0.214 718 D C 0.173 176.472 176.300 -0.001 0.000 1.088 718 D CA 0.975 54.980 54.000 0.007 0.000 0.855 718 D CB 0.582 41.446 40.800 0.106 0.000 1.025 718 D HN 0.467 nan 8.370 nan 0.000 0.502 719 T N -0.593 113.971 114.554 0.016 0.000 2.883 719 T HA 0.571 4.921 4.350 -0.000 0.000 0.301 719 T C -1.887 172.802 174.700 -0.018 0.000 1.158 719 T CA -0.640 61.482 62.100 0.036 0.000 1.007 719 T CB 1.906 70.830 68.868 0.093 0.000 1.186 719 T HN -0.225 nan 8.240 nan 0.000 0.499 720 V N 2.131 122.024 119.914 -0.034 0.000 2.733 720 V HA 0.721 4.841 4.120 -0.000 0.000 0.306 720 V C -0.401 175.645 176.094 -0.080 0.000 1.084 720 V CA -0.533 61.734 62.300 -0.055 0.000 0.905 720 V CB 2.171 33.958 31.823 -0.060 0.000 1.010 720 V HN 0.854 nan 8.190 nan 0.000 0.424 721 S N 5.363 121.021 115.700 -0.070 0.000 2.430 721 S HA 0.716 5.186 4.470 -0.000 0.000 0.282 721 S C 0.066 174.609 174.600 -0.095 0.000 1.186 721 S CA 0.299 58.446 58.200 -0.088 0.000 1.060 721 S CB -0.164 63.002 63.200 -0.057 0.000 0.966 721 S HN 1.634 nan 8.310 nan 0.000 0.501 722 A N 4.991 127.714 122.820 -0.161 0.000 2.355 722 A HA 0.561 4.880 4.320 -0.000 0.000 0.317 722 A C -1.150 176.324 177.584 -0.183 0.000 1.094 722 A CA -0.664 51.271 52.037 -0.171 0.000 0.764 722 A CB 0.742 19.593 19.000 -0.248 0.000 1.230 722 A HN 0.895 nan 8.150 nan 0.000 0.448 723 Y N 3.626 123.796 120.300 -0.218 0.000 2.425 723 Y HA 0.502 5.052 4.550 -0.000 0.000 0.347 723 Y C -0.178 175.540 175.900 -0.302 0.000 0.976 723 Y CA -1.085 56.884 58.100 -0.218 0.000 1.190 723 Y CB 0.455 38.838 38.460 -0.128 0.000 1.136 723 Y HN 0.654 nan 8.280 nan 0.000 0.517 724 I N 8.476 128.515 120.570 -0.884 0.000 2.315 724 I HA 0.619 4.789 4.170 -0.000 0.000 0.291 724 I C -2.874 172.609 176.117 -1.056 0.000 1.006 724 I CA -2.734 58.001 61.300 -0.941 0.000 1.265 724 I CB 1.147 38.696 38.000 -0.752 0.000 1.387 724 I HN 0.359 nan 8.210 nan 0.000 0.475 725 P HA 0.121 nan 4.420 nan 0.000 0.286 725 P C -0.826 176.306 177.300 -0.281 0.000 1.293 725 P CA -0.178 62.464 63.100 -0.763 0.000 0.770 725 P CB 0.382 31.391 31.700 -1.152 0.000 1.206 726 D N -0.712 119.558 120.400 -0.218 0.000 2.688 726 D HA 0.423 5.062 4.640 -0.000 0.000 0.228 726 D C -0.612 175.734 176.300 0.077 0.000 1.116 726 D CA 0.058 54.064 54.000 0.009 0.000 1.023 726 D CB -1.238 39.620 40.800 0.096 0.000 1.100 726 D HN 0.351 nan 8.370 nan 0.000 0.487 727 A N 1.651 124.482 122.820 0.019 0.000 2.533 727 A HA 0.616 4.936 4.320 -0.000 0.000 0.293 727 A C -0.776 176.596 177.584 -0.354 0.000 1.228 727 A CA -0.755 51.176 52.037 -0.176 0.000 0.689 727 A CB 0.846 19.637 19.000 -0.348 0.000 1.303 727 A HN 0.253 nan 8.150 nan 0.000 0.444 728 I N 0.459 120.757 120.570 -0.453 0.000 2.342 728 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 728 I C -1.135 174.547 176.117 -0.726 0.000 1.010 728 I CA 0.108 61.145 61.300 -0.439 0.000 1.308 728 I CB 0.742 38.560 38.000 -0.302 0.000 1.400 728 I HN 0.605 nan 8.210 nan 0.000 0.488 729 W N 5.642 126.770 121.300 -0.286 0.000 2.666 729 W HA 0.517 5.176 4.660 -0.000 0.000 0.334 729 W C -0.944 175.365 176.519 -0.350 0.000 1.051 729 W CA -0.505 56.722 57.345 -0.197 0.000 1.224 729 W CB 1.015 30.401 29.460 -0.123 0.000 1.405 729 W HN 0.218 nan 8.180 nan 0.000 0.513 730 Y N 1.075 121.585 120.300 0.349 0.000 2.393 730 Y HA 0.211 4.761 4.550 -0.000 0.000 0.341 730 Y C 0.139 176.203 175.900 0.273 0.000 0.988 730 Y CA -1.219 57.008 58.100 0.212 0.000 1.078 730 Y CB 1.361 39.878 38.460 0.096 0.000 1.203 730 Y HN 0.328 nan 8.280 nan 0.000 0.453 731 D N 1.298 121.874 120.400 0.293 0.000 2.458 731 D HA -0.098 4.542 4.640 -0.000 0.000 0.243 731 D C 0.627 176.967 176.300 0.066 0.000 1.146 731 D CA 0.454 54.495 54.000 0.068 0.000 0.877 731 D CB 0.536 41.343 40.800 0.012 0.000 1.176 731 D HN 0.573 nan 8.370 nan 0.000 0.461 732 Y N 3.314 123.564 120.300 -0.083 0.000 2.145 732 Y HA -0.137 4.413 4.550 -0.000 0.000 0.286 732 Y C 1.846 177.734 175.900 -0.020 0.000 1.145 732 Y CA 1.746 59.832 58.100 -0.024 0.000 1.148 732 Y CB 0.098 38.539 38.460 -0.033 0.000 0.981 732 Y HN 0.592 nan 8.280 nan 0.000 0.507 733 E N -0.428 119.804 120.200 0.054 0.000 2.028 733 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 733 E C 2.428 178.965 176.600 -0.105 0.000 0.988 733 E CA 1.978 58.365 56.400 -0.021 0.000 0.799 733 E CB -0.217 29.520 29.700 0.062 0.000 0.755 733 E HN 0.552 nan 8.360 nan 0.000 0.447 734 S N -1.489 114.171 115.700 -0.066 0.000 2.406 734 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 734 S C 1.773 176.319 174.600 -0.090 0.000 1.030 734 S CA 0.826 58.985 58.200 -0.069 0.000 0.958 734 S CB 0.425 63.603 63.200 -0.038 0.000 0.811 734 S HN 0.431 nan 8.310 nan 0.000 0.489 735 G N 0.926 109.684 108.800 -0.070 0.000 2.175 735 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.244 735 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.244 735 G C 0.191 175.122 174.900 0.052 0.000 0.982 735 G CA 0.003 45.066 45.100 -0.062 0.000 0.641 735 G HN 1.323 nan 8.290 nan 0.000 0.527 736 A N 0.493 123.346 122.820 0.055 0.000 2.409 736 A HA 0.578 4.898 4.320 -0.000 0.000 0.262 736 A C 0.755 178.411 177.584 0.120 0.000 1.113 736 A CA 0.491 52.566 52.037 0.064 0.000 0.790 736 A CB 0.376 19.366 19.000 -0.015 0.000 1.046 736 A HN 0.593 nan 8.150 nan 0.000 0.496 737 K N 2.565 123.037 120.400 0.118 0.000 2.395 737 K HA 0.087 4.407 4.320 -0.000 0.000 0.283 737 K C -0.017 176.456 176.600 -0.212 0.000 1.068 737 K CA -0.016 56.190 56.287 -0.135 0.000 1.039 737 K CB 0.115 32.533 32.500 -0.135 0.000 0.924 737 K HN 0.605 nan 8.250 nan 0.000 0.468 738 R N 4.210 124.545 120.500 -0.275 0.000 2.537 738 R HA 0.085 4.425 4.340 -0.000 0.000 0.280 738 R C -1.740 174.297 176.300 -0.439 0.000 1.058 738 R CA -1.078 54.724 56.100 -0.497 0.000 1.057 738 R CB 0.336 30.254 30.300 -0.637 0.000 0.973 738 R HN 0.660 nan 8.270 nan 0.000 0.438 739 P HA 0.089 nan 4.420 nan 0.000 0.249 739 P C -0.807 176.447 177.300 -0.078 0.000 1.593 739 P CA 0.069 63.011 63.100 -0.264 0.000 0.896 739 P CB 0.240 31.812 31.700 -0.213 0.000 1.581 740 W N 0.952 122.219 121.300 -0.055 0.000 2.606 740 W HA 0.610 5.270 4.660 -0.000 0.000 0.332 740 W C 0.470 176.963 176.519 -0.044 0.000 1.052 740 W CA -0.765 56.534 57.345 -0.078 0.000 1.223 740 W CB 1.470 30.842 29.460 -0.148 0.000 1.383 740 W HN -0.063 nan 8.180 nan 0.000 0.524 741 R N 2.334 122.931 120.500 0.162 0.000 2.560 741 R HA 0.134 4.473 4.340 -0.000 0.000 0.267 741 R C -0.276 176.019 176.300 -0.009 0.000 1.150 741 R CA -0.776 55.371 56.100 0.079 0.000 0.997 741 R CB 0.949 31.286 30.300 0.062 0.000 1.250 741 R HN 0.541 nan 8.270 nan 0.000 0.433 742 K N 3.263 123.611 120.400 -0.087 0.000 3.689 742 K HA -0.252 4.068 4.320 -0.000 0.000 0.276 742 K C -1.416 175.140 176.600 -0.073 0.000 0.932 742 K CA 1.871 58.097 56.287 -0.100 0.000 0.758 742 K CB -0.616 31.887 32.500 0.006 0.000 1.500 742 K HN 0.771 nan 8.250 nan 0.000 0.448 743 Q N -0.228 119.454 119.800 -0.197 0.000 2.633 743 Q HA 0.328 4.668 4.340 -0.000 0.000 0.289 743 Q C -1.486 174.401 176.000 -0.189 0.000 0.940 743 Q CA -1.297 54.441 55.803 -0.108 0.000 0.785 743 Q CB 0.983 29.669 28.738 -0.086 0.000 1.467 743 Q HN 0.269 nan 8.270 nan 0.000 0.401 744 R N 0.993 121.443 120.500 -0.083 0.000 2.297 744 R HA 0.624 4.964 4.340 -0.000 0.000 0.308 744 R C -0.476 175.678 176.300 -0.243 0.000 1.029 744 R CA -0.207 55.824 56.100 -0.116 0.000 0.929 744 R CB 1.334 31.623 30.300 -0.018 0.000 1.046 744 R HN 0.569 nan 8.270 nan 0.000 0.461 745 V N -0.210 119.479 119.914 -0.374 0.000 3.102 745 V HA 0.493 4.613 4.120 -0.000 0.000 0.312 745 V C -1.100 174.784 176.094 -0.350 0.000 1.135 745 V CA -1.083 60.935 62.300 -0.469 0.000 1.022 745 V CB 2.355 33.574 31.823 -1.007 0.000 1.056 745 V HN 0.636 nan 8.190 nan 0.000 0.436 746 D N 3.241 123.491 120.400 -0.250 0.000 2.500 746 D HA 0.329 4.969 4.640 -0.000 0.000 0.219 746 D C -0.059 176.174 176.300 -0.111 0.000 1.137 746 D CA 0.215 54.130 54.000 -0.141 0.000 0.946 746 D CB 1.072 41.836 40.800 -0.059 0.000 1.022 746 D HN 0.717 nan 8.370 nan 0.000 0.518 747 M N 2.590 122.090 119.600 -0.167 0.000 2.246 747 M HA 0.027 4.507 4.480 -0.000 0.000 0.350 747 M C -0.723 175.629 176.300 0.088 0.000 1.406 747 M CA -0.394 54.869 55.300 -0.062 0.000 1.089 747 M CB 0.458 32.981 32.600 -0.129 0.000 1.782 747 M HN 0.262 nan 8.290 nan 0.000 0.457 748 Y N 6.909 127.251 120.300 0.070 0.000 2.486 748 Y HA 0.411 4.961 4.550 -0.000 0.000 0.348 748 Y C -1.451 174.483 175.900 0.057 0.000 1.000 748 Y CA -0.398 57.735 58.100 0.056 0.000 1.253 748 Y CB 0.220 38.721 38.460 0.069 0.000 1.140 748 Y HN 0.576 nan 8.280 nan 0.000 0.526 749 L N 10.327 131.257 121.223 -0.488 0.000 2.417 749 L HA 0.388 4.728 4.340 -0.000 0.000 0.259 749 L C -2.251 174.313 176.870 -0.510 0.000 1.023 749 L CA -2.025 52.555 54.840 -0.433 0.000 0.901 749 L CB 1.281 43.222 42.059 -0.196 0.000 1.227 749 L HN 0.508 nan 8.230 nan 0.000 0.454 750 P HA 0.023 nan 4.420 nan 0.000 0.280 750 P C 0.768 177.986 177.300 -0.137 0.000 1.278 750 P CA -0.282 62.607 63.100 -0.351 0.000 0.787 750 P CB 1.011 32.572 31.700 -0.232 0.000 1.163 751 A N 0.338 123.129 122.820 -0.048 0.000 2.186 751 A HA -0.176 4.143 4.320 -0.000 0.000 0.219 751 A C 1.364 178.955 177.584 0.012 0.000 1.159 751 A CA 2.021 54.056 52.037 -0.003 0.000 0.680 751 A CB -1.182 17.830 19.000 0.021 0.000 0.787 751 A HN 0.700 nan 8.150 nan 0.000 0.467 752 D N -2.449 117.962 120.400 0.018 0.000 2.500 752 D HA 0.260 4.900 4.640 -0.000 0.000 0.217 752 D C 0.595 176.994 176.300 0.166 0.000 1.159 752 D CA 0.790 54.838 54.000 0.079 0.000 0.828 752 D CB -0.335 40.502 40.800 0.063 0.000 1.039 752 D HN 0.361 nan 8.370 nan 0.000 0.512 753 K N 0.805 121.244 120.400 0.065 0.000 2.156 753 K HA 0.748 5.068 4.320 -0.000 0.000 0.250 753 K C -0.762 175.779 176.600 -0.098 0.000 0.955 753 K CA -0.827 55.508 56.287 0.079 0.000 0.855 753 K CB 1.993 34.497 32.500 0.007 0.000 1.101 753 K HN 0.260 nan 8.250 nan 0.000 0.434 754 I N 0.395 120.841 120.570 -0.207 0.000 2.686 754 I HA 0.595 4.765 4.170 -0.000 0.000 0.295 754 I C 0.451 176.402 176.117 -0.275 0.000 1.114 754 I CA -0.938 60.165 61.300 -0.328 0.000 1.038 754 I CB 2.148 39.819 38.000 -0.547 0.000 1.238 754 I HN 0.793 nan 8.210 nan 0.000 0.420 755 G N 7.808 116.472 108.800 -0.227 0.000 2.327 755 G HA2 0.361 4.321 3.960 -0.000 0.000 0.278 755 G HA3 0.361 4.321 3.960 -0.000 0.000 0.278 755 G C -0.792 173.924 174.900 -0.306 0.000 1.145 755 G CA -0.081 44.915 45.100 -0.172 0.000 1.097 755 G HN 0.496 nan 8.290 nan 0.000 0.430 756 L N 3.135 124.128 121.223 -0.383 0.000 2.349 756 L HA 0.455 4.794 4.340 -0.000 0.000 0.278 756 L C -0.646 175.979 176.870 -0.410 0.000 0.996 756 L CA -0.882 53.730 54.840 -0.381 0.000 0.825 756 L CB 1.958 43.820 42.059 -0.329 0.000 1.243 756 L HN 0.578 nan 8.230 nan 0.000 0.412 757 H N 2.778 121.860 119.070 0.020 0.000 2.717 757 H HA 0.570 5.126 4.556 -0.000 0.000 0.366 757 H C -0.964 174.598 175.328 0.390 0.000 1.132 757 H CA -0.501 55.686 56.048 0.231 0.000 1.180 757 H CB 2.336 32.223 29.762 0.209 0.000 1.678 757 H HN 0.376 nan 8.280 nan 0.000 0.537 758 L N 2.198 123.760 121.223 0.565 0.000 2.309 758 L HA 0.445 4.785 4.340 -0.000 0.000 0.282 758 L C 0.234 177.382 176.870 0.463 0.000 1.036 758 L CA -0.603 54.517 54.840 0.467 0.000 0.806 758 L CB 1.158 43.418 42.059 0.334 0.000 1.220 758 L HN 0.451 nan 8.230 nan 0.000 0.429 759 R N 2.306 122.940 120.500 0.223 0.000 2.254 759 R HA 0.370 4.710 4.340 -0.000 0.000 0.318 759 R C 0.056 176.429 176.300 0.121 0.000 1.031 759 R CA -0.519 55.449 56.100 -0.219 0.000 0.905 759 R CB 1.122 31.184 30.300 -0.396 0.000 1.050 759 R HN 0.783 nan 8.270 nan 0.000 0.456 760 G N 1.399 110.231 108.800 0.054 0.000 2.391 760 G HA2 0.278 4.238 3.960 -0.000 0.000 0.234 760 G HA3 0.278 4.238 3.960 -0.000 0.000 0.234 760 G C 0.853 175.817 174.900 0.107 0.000 1.284 760 G CA 0.379 45.596 45.100 0.195 0.000 0.873 760 G HN 1.001 nan 8.290 nan 0.000 0.549 761 G N 0.055 108.868 108.800 0.022 0.000 2.179 761 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 761 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 761 G C -0.031 174.561 174.900 -0.513 0.000 0.990 761 G CA 0.416 45.374 45.100 -0.236 0.000 0.646 761 G HN 0.856 nan 8.290 nan 0.000 0.517 762 Y N -0.534 119.794 120.300 0.047 0.000 2.462 762 Y HA 0.740 5.290 4.550 -0.000 0.000 0.346 762 Y C 0.343 176.263 175.900 0.034 0.000 0.976 762 Y CA -1.154 56.981 58.100 0.059 0.000 1.044 762 Y CB 1.694 40.193 38.460 0.064 0.000 1.230 762 Y HN 0.081 nan 8.280 nan 0.000 0.455 763 I N 4.989 125.696 120.570 0.229 0.000 2.382 763 I HA 0.441 4.611 4.170 -0.000 0.000 0.286 763 I C -0.815 175.410 176.117 0.181 0.000 1.002 763 I CA -0.665 60.719 61.300 0.142 0.000 1.135 763 I CB 1.087 39.189 38.000 0.170 0.000 1.288 763 I HN 0.434 nan 8.210 nan 0.000 0.448 764 I N 5.442 126.025 120.570 0.020 0.000 2.433 764 I HA 0.676 4.846 4.170 -0.000 0.000 0.292 764 I C -2.687 173.458 176.117 0.045 0.000 1.001 764 I CA -2.297 58.981 61.300 -0.037 0.000 1.119 764 I CB 1.759 39.473 38.000 -0.476 0.000 1.289 764 I HN 0.224 nan 8.210 nan 0.000 0.438 765 P HA 0.438 nan 4.420 nan 0.000 0.286 765 P C -0.832 176.605 177.300 0.227 0.000 1.269 765 P CA -0.155 63.029 63.100 0.140 0.000 0.787 765 P CB 1.495 33.310 31.700 0.192 0.000 0.920 766 I N -0.716 119.932 120.570 0.130 0.000 3.206 766 I HA 0.733 4.903 4.170 -0.000 0.000 0.313 766 I C -0.941 175.258 176.117 0.136 0.000 1.103 766 I CA -1.336 60.083 61.300 0.199 0.000 0.985 766 I CB 2.565 40.672 38.000 0.178 0.000 1.240 766 I HN 0.266 nan 8.210 nan 0.000 0.464 767 Q N 1.610 121.516 119.800 0.178 0.000 2.281 767 Q HA 0.302 4.642 4.340 -0.000 0.000 0.263 767 Q C -1.482 174.605 176.000 0.145 0.000 0.989 767 Q CA -0.582 55.294 55.803 0.121 0.000 0.852 767 Q CB 2.215 31.042 28.738 0.148 0.000 1.337 767 Q HN 0.764 nan 8.270 nan 0.000 0.418 768 E N 5.104 125.356 120.200 0.087 0.000 2.820 768 E HA -0.030 4.319 4.350 -0.000 0.000 0.251 768 E C -2.079 174.597 176.600 0.126 0.000 0.944 768 E CA -0.458 55.994 56.400 0.088 0.000 0.955 768 E CB 0.365 30.092 29.700 0.044 0.000 0.904 768 E HN 0.345 nan 8.360 nan 0.000 0.513 769 P HA 0.087 nan 4.420 nan 0.000 0.274 769 P C -0.566 176.795 177.300 0.102 0.000 1.246 769 P CA -0.024 63.178 63.100 0.170 0.000 0.795 769 P CB 1.061 32.850 31.700 0.149 0.000 1.006 770 D N -1.132 119.318 120.400 0.083 0.000 2.825 770 D HA 0.118 4.758 4.640 -0.000 0.000 0.327 770 D C 0.648 176.874 176.300 -0.123 0.000 1.277 770 D CA -0.355 53.650 54.000 0.009 0.000 0.950 770 D CB 1.631 42.463 40.800 0.054 0.000 1.438 770 D HN 0.102 nan 8.370 nan 0.000 0.526 771 V N -1.518 118.329 119.914 -0.112 0.000 3.608 771 V HA 0.281 4.401 4.120 -0.000 0.000 0.269 771 V C 0.716 176.715 176.094 -0.158 0.000 1.245 771 V CA 1.138 63.323 62.300 -0.193 0.000 1.138 771 V CB -0.429 31.340 31.823 -0.090 0.000 0.841 771 V HN 0.551 nan 8.190 nan 0.000 0.451 772 T N -3.550 110.997 114.554 -0.011 0.000 2.883 772 T HA 0.427 4.777 4.350 -0.000 0.000 0.296 772 T C 0.893 175.784 174.700 0.319 0.000 1.117 772 T CA 0.370 62.552 62.100 0.137 0.000 1.006 772 T CB 1.642 70.535 68.868 0.040 0.000 1.191 772 T HN 0.390 nan 8.240 nan 0.000 0.508 773 T N -1.174 113.623 114.554 0.405 0.000 2.857 773 T HA -0.054 4.295 4.350 -0.000 0.000 0.266 773 T C 1.902 176.758 174.700 0.259 0.000 1.048 773 T CA 1.669 64.022 62.100 0.422 0.000 1.139 773 T CB -1.350 67.809 68.868 0.484 0.000 0.874 773 T HN 0.697 nan 8.240 nan 0.000 0.455 774 T N 2.664 117.320 114.554 0.171 0.000 2.597 774 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 774 T C 2.433 177.184 174.700 0.086 0.000 1.053 774 T CA 1.856 64.009 62.100 0.088 0.000 1.165 774 T CB -1.015 67.876 68.868 0.037 0.000 0.863 774 T HN 0.629 nan 8.240 nan 0.000 0.427 775 A N 1.753 124.626 122.820 0.088 0.000 1.873 775 A HA -0.087 4.232 4.320 -0.000 0.000 0.215 775 A C 2.644 180.292 177.584 0.106 0.000 1.186 775 A CA 2.302 54.384 52.037 0.074 0.000 0.616 775 A CB -1.045 17.985 19.000 0.051 0.000 0.823 775 A HN 0.625 nan 8.150 nan 0.000 0.442 776 S N -0.096 115.704 115.700 0.166 0.000 2.383 776 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 776 S C 1.960 176.674 174.600 0.190 0.000 1.030 776 S CA 1.365 59.687 58.200 0.204 0.000 1.002 776 S CB -0.516 62.884 63.200 0.333 0.000 0.829 776 S HN 0.572 nan 8.310 nan 0.000 0.467 777 R N 1.766 122.376 120.500 0.183 0.000 2.193 777 R HA 0.010 4.350 4.340 -0.000 0.000 0.229 777 R C 1.877 178.279 176.300 0.171 0.000 1.110 777 R CA 1.492 57.708 56.100 0.193 0.000 0.988 777 R CB -0.162 30.180 30.300 0.071 0.000 0.871 777 R HN 0.687 nan 8.270 nan 0.000 0.458 778 K N -0.419 120.043 120.400 0.103 0.000 2.374 778 K HA 0.137 4.457 4.320 -0.000 0.000 0.196 778 K C 0.015 176.628 176.600 0.022 0.000 1.023 778 K CA -0.204 56.119 56.287 0.060 0.000 1.103 778 K CB 0.273 32.800 32.500 0.046 0.000 0.848 778 K HN -0.017 nan 8.250 nan 0.000 0.528 779 N N 3.092 121.811 118.700 0.032 0.000 2.482 779 N HA 0.143 4.883 4.740 -0.000 0.000 0.260 779 N C -2.473 173.012 175.510 -0.043 0.000 1.236 779 N CA -1.732 51.323 53.050 0.008 0.000 0.938 779 N CB 0.165 38.675 38.487 0.039 0.000 1.128 779 N HN -0.000 nan 8.380 nan 0.000 0.448 780 P HA 0.015 nan 4.420 nan 0.000 0.265 780 P C -0.047 177.187 177.300 -0.110 0.000 1.187 780 P CA 0.245 63.286 63.100 -0.098 0.000 0.766 780 P CB 0.668 32.330 31.700 -0.064 0.000 0.820 781 L N 1.468 122.574 121.223 -0.195 0.000 2.440 781 L HA 0.827 5.167 4.340 -0.000 0.000 0.262 781 L C 1.221 178.076 176.870 -0.026 0.000 1.072 781 L CA -0.015 54.713 54.840 -0.187 0.000 0.798 781 L CB 0.928 42.683 42.059 -0.507 0.000 1.307 781 L HN 0.564 nan 8.230 nan 0.000 0.475 782 G N -0.293 108.550 108.800 0.072 0.000 2.576 782 G HA2 0.588 4.548 3.960 -0.000 0.000 0.290 782 G HA3 0.588 4.548 3.960 -0.000 0.000 0.290 782 G C -2.041 172.796 174.900 -0.105 0.000 1.442 782 G CA -0.632 44.478 45.100 0.017 0.000 0.792 782 G HN 0.348 nan 8.290 nan 0.000 0.491 783 L N 0.057 121.119 121.223 -0.269 0.000 2.370 783 L HA 0.650 4.990 4.340 -0.000 0.000 0.266 783 L C -0.625 176.086 176.870 -0.266 0.000 1.002 783 L CA -0.946 53.663 54.840 -0.384 0.000 0.818 783 L CB 2.454 44.097 42.059 -0.694 0.000 1.325 783 L HN 0.347 nan 8.230 nan 0.000 0.418 784 I N 2.549 122.994 120.570 -0.209 0.000 2.389 784 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 784 I C -0.663 175.349 176.117 -0.176 0.000 0.999 784 I CA -0.753 60.438 61.300 -0.183 0.000 1.129 784 I CB 2.164 40.095 38.000 -0.116 0.000 1.288 784 I HN 0.168 nan 8.210 nan 0.000 0.444 785 V N 6.137 125.921 119.914 -0.217 0.000 2.294 785 V HA 0.410 4.529 4.120 -0.000 0.000 0.272 785 V C 0.562 176.526 176.094 -0.216 0.000 1.027 785 V CA -0.549 61.645 62.300 -0.177 0.000 0.823 785 V CB 1.183 32.891 31.823 -0.192 0.000 1.030 785 V HN 0.817 nan 8.190 nan 0.000 0.457 786 A N 6.806 129.533 122.820 -0.154 0.000 2.415 786 A HA 0.616 4.936 4.320 -0.000 0.000 0.309 786 A C -0.002 177.548 177.584 -0.056 0.000 1.356 786 A CA -0.305 51.591 52.037 -0.236 0.000 0.998 786 A CB -0.098 18.881 19.000 -0.035 0.000 1.145 786 A HN 0.817 nan 8.150 nan 0.000 0.545 787 L N 2.093 123.266 121.223 -0.083 0.000 2.461 787 L HA 0.401 4.740 4.340 -0.000 0.000 0.272 787 L C 1.011 177.977 176.870 0.160 0.000 1.197 787 L CA 0.173 55.048 54.840 0.058 0.000 0.836 787 L CB 0.863 42.963 42.059 0.069 0.000 1.105 787 L HN 0.729 nan 8.230 nan 0.000 0.477 788 G N 0.776 109.626 108.800 0.083 0.000 2.737 788 G HA2 0.401 4.361 3.960 -0.000 0.000 0.290 788 G HA3 0.401 4.361 3.960 -0.000 0.000 0.290 788 G C -0.016 174.899 174.900 0.026 0.000 1.482 788 G CA -0.187 44.945 45.100 0.053 0.000 1.017 788 G HN 0.845 nan 8.290 nan 0.000 0.529 789 E N 1.067 121.281 120.200 0.023 0.000 4.115 789 E HA -0.362 3.988 4.350 -0.000 0.000 0.209 789 E C 1.175 177.786 176.600 0.018 0.000 1.290 789 E CA 2.341 58.749 56.400 0.013 0.000 2.168 789 E CB -0.452 29.249 29.700 0.001 0.000 1.888 789 E HN 0.515 nan 8.360 nan 0.000 0.272 790 N N 1.692 120.399 118.700 0.011 0.000 2.485 790 N HA 0.000 4.740 4.740 -0.000 0.000 0.199 790 N C -0.346 175.173 175.510 0.015 0.000 1.236 790 N CA 0.875 53.931 53.050 0.010 0.000 0.852 790 N CB -0.164 38.324 38.487 0.002 0.000 1.018 790 N HN 0.314 nan 8.380 nan 0.000 0.457 791 N N -0.701 118.017 118.700 0.030 0.000 2.754 791 N HA -0.144 4.595 4.740 -0.000 0.000 0.248 791 N C -1.004 174.530 175.510 0.040 0.000 1.093 791 N CA 1.052 54.131 53.050 0.048 0.000 0.699 791 N CB -1.423 37.093 38.487 0.048 0.000 1.016 791 N HN 0.174 nan 8.380 nan 0.000 0.552 792 T N -0.747 113.818 114.554 0.020 0.000 2.942 792 T HA 0.939 5.289 4.350 -0.000 0.000 0.289 792 T C -0.117 174.576 174.700 -0.013 0.000 1.044 792 T CA -0.055 62.047 62.100 0.004 0.000 1.023 792 T CB 2.323 71.180 68.868 -0.019 0.000 1.123 792 T HN 0.363 nan 8.240 nan 0.000 0.512 793 A N 1.604 124.414 122.820 -0.017 0.000 2.594 793 A HA 0.719 5.039 4.320 -0.000 0.000 0.296 793 A C -1.548 176.026 177.584 -0.017 0.000 1.061 793 A CA -0.920 51.086 52.037 -0.051 0.000 0.689 793 A CB 1.455 20.453 19.000 -0.003 0.000 1.280 793 A HN 0.522 nan 8.150 nan 0.000 0.406 794 K N 0.171 120.536 120.400 -0.058 0.000 2.435 794 K HA 0.830 5.149 4.320 -0.000 0.000 0.251 794 K C -0.269 176.431 176.600 0.168 0.000 0.954 794 K CA -0.269 56.046 56.287 0.046 0.000 0.820 794 K CB 2.640 35.136 32.500 -0.008 0.000 1.292 794 K HN 1.460 nan 8.250 nan 0.000 0.436 795 G N 0.946 109.907 108.800 0.267 0.000 2.576 795 G HA2 0.542 4.501 3.960 -0.000 0.000 0.290 795 G HA3 0.542 4.501 3.960 -0.000 0.000 0.290 795 G C -1.947 173.079 174.900 0.211 0.000 1.442 795 G CA -0.696 44.629 45.100 0.375 0.000 0.792 795 G HN 0.561 nan 8.290 nan 0.000 0.491 796 D N -1.721 118.832 120.400 0.255 0.000 2.610 796 D HA 0.768 5.408 4.640 -0.000 0.000 0.271 796 D C -1.451 175.089 176.300 0.400 0.000 1.174 796 D CA -0.762 53.291 54.000 0.088 0.000 0.949 796 D CB 2.310 43.226 40.800 0.192 0.000 1.430 796 D HN 0.555 nan 8.370 nan 0.000 0.467 797 F N 0.471 120.539 119.950 0.197 0.000 2.623 797 F HA 0.597 5.123 4.527 -0.000 0.000 0.323 797 F C -2.494 173.581 175.800 0.458 0.000 1.158 797 F CA -1.579 56.696 58.000 0.458 0.000 1.030 797 F CB 1.510 40.895 39.000 0.643 0.000 1.280 797 F HN 0.426 nan 8.300 nan 0.000 0.474 798 F N 7.271 127.100 119.950 -0.203 0.000 2.507 798 F HA 0.665 5.192 4.527 -0.000 0.000 0.325 798 F C -2.107 173.532 175.800 -0.267 0.000 1.116 798 F CA -0.699 57.070 58.000 -0.384 0.000 0.930 798 F CB 1.463 40.078 39.000 -0.641 0.000 1.146 798 F HN 0.604 nan 8.300 nan 0.000 0.447 799 W N 8.642 129.251 121.300 -1.153 0.000 3.042 799 W HA 0.324 4.984 4.660 -0.000 0.000 0.337 799 W C -1.876 174.193 176.519 -0.749 0.000 1.086 799 W CA -0.534 56.380 57.345 -0.718 0.000 1.236 799 W CB 2.003 31.192 29.460 -0.451 0.000 1.381 799 W HN 0.796 nan 8.180 nan 0.000 0.472 800 D N 1.616 121.364 120.400 -1.087 0.000 2.895 800 D HA 0.106 4.746 4.640 -0.000 0.000 0.320 800 D C 0.575 176.112 176.300 -1.271 0.000 1.249 800 D CA -0.231 53.086 54.000 -1.139 0.000 0.997 800 D CB 0.149 40.570 40.800 -0.630 0.000 1.430 800 D HN 0.359 nan 8.370 nan 0.000 0.558 801 D N -1.120 118.667 120.400 -1.020 0.000 2.363 801 D HA 0.092 4.732 4.640 -0.000 0.000 0.226 801 D C 1.277 177.377 176.300 -0.332 0.000 1.020 801 D CA 0.678 54.382 54.000 -0.493 0.000 0.892 801 D CB -0.468 40.233 40.800 -0.164 0.000 0.900 801 D HN 0.876 nan 8.370 nan 0.000 0.531 802 G N 1.869 110.484 108.800 -0.309 0.000 2.249 802 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.273 802 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.273 802 G C 0.474 175.380 174.900 0.010 0.000 1.036 802 G CA 0.944 45.960 45.100 -0.140 0.000 0.824 802 G HN 0.634 nan 8.290 nan 0.000 0.504 803 E N -3.612 116.597 120.200 0.015 0.000 2.145 803 E HA 0.032 4.382 4.350 -0.000 0.000 0.199 803 E C 0.377 177.004 176.600 0.045 0.000 1.006 803 E CA 0.222 56.661 56.400 0.066 0.000 1.418 803 E CB -0.165 29.603 29.700 0.113 0.000 3.464 803 E HN 0.266 nan 8.360 nan 0.000 1.000 804 T N 2.236 116.803 114.554 0.022 0.000 2.870 804 T HA 0.105 4.455 4.350 -0.000 0.000 0.300 804 T C 0.612 175.326 174.700 0.023 0.000 0.989 804 T CA -0.215 61.903 62.100 0.030 0.000 1.139 804 T CB 1.660 70.544 68.868 0.028 0.000 0.920 804 T HN 0.070 nan 8.240 nan 0.000 0.537 805 K N 1.879 122.298 120.400 0.031 0.000 2.097 805 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 805 K C 0.965 177.573 176.600 0.013 0.000 1.049 805 K CA 1.447 57.744 56.287 0.017 0.000 0.933 805 K CB 0.076 32.598 32.500 0.036 0.000 0.717 805 K HN 0.721 nan 8.250 nan 0.000 0.442 806 D N -0.838 119.584 120.400 0.037 0.000 2.501 806 D HA -0.032 4.608 4.640 -0.000 0.000 0.226 806 D C 1.138 177.487 176.300 0.081 0.000 1.198 806 D CA 0.169 54.202 54.000 0.054 0.000 0.830 806 D CB 0.087 40.923 40.800 0.059 0.000 1.014 806 D HN 0.092 nan 8.370 nan 0.000 0.496 807 T N -0.883 113.720 114.554 0.082 0.000 2.684 807 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 807 T C 1.952 176.813 174.700 0.269 0.000 1.036 807 T CA 0.790 62.975 62.100 0.143 0.000 1.148 807 T CB -0.438 68.497 68.868 0.111 0.000 0.863 807 T HN 0.081 nan 8.240 nan 0.000 0.436 808 I N 1.851 122.556 120.570 0.226 0.000 2.179 808 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 808 I C 2.979 179.254 176.117 0.264 0.000 1.088 808 I CA 1.559 63.015 61.300 0.261 0.000 1.357 808 I CB -0.633 37.419 38.000 0.087 0.000 1.051 808 I HN 0.352 nan 8.210 nan 0.000 0.409 809 Q N 0.260 120.159 119.800 0.165 0.000 2.291 809 Q HA -0.175 4.165 4.340 -0.000 0.000 0.205 809 Q C 0.900 176.969 176.000 0.115 0.000 0.970 809 Q CA 1.211 57.086 55.803 0.121 0.000 0.876 809 Q CB 0.082 28.876 28.738 0.093 0.000 0.935 809 Q HN 0.490 nan 8.270 nan 0.000 0.455 810 N N -0.795 117.983 118.700 0.130 0.000 2.203 810 N HA 0.126 4.866 4.740 -0.000 0.000 0.207 810 N C 0.107 175.676 175.510 0.097 0.000 1.130 810 N CA 0.811 53.922 53.050 0.101 0.000 0.861 810 N CB 1.132 39.671 38.487 0.086 0.000 1.005 810 N HN 0.310 nan 8.380 nan 0.000 0.507 811 G N 1.433 110.306 108.800 0.123 0.000 2.273 811 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 811 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 811 G C -0.202 174.644 174.900 -0.089 0.000 1.047 811 G CA -0.192 44.873 45.100 -0.057 0.000 0.869 811 G HN 0.277 nan 8.290 nan 0.000 0.502 812 N N 0.165 118.885 118.700 0.032 0.000 3.228 812 N HA 0.467 5.207 4.740 -0.000 0.000 0.289 812 N C -0.287 175.264 175.510 0.067 0.000 1.419 812 N CA 0.163 53.242 53.050 0.049 0.000 1.088 812 N CB 0.270 38.810 38.487 0.088 0.000 1.357 812 N HN 0.749 nan 8.380 nan 0.000 0.504 813 Y N -1.982 118.362 120.300 0.072 0.000 2.705 813 Y HA 0.621 5.171 4.550 -0.000 0.000 0.332 813 Y C -1.060 174.861 175.900 0.036 0.000 1.221 813 Y CA -1.311 56.712 58.100 -0.128 0.000 1.059 813 Y CB 0.943 39.191 38.460 -0.354 0.000 1.298 813 Y HN -0.165 nan 8.280 nan 0.000 0.459 814 I N 2.335 123.008 120.570 0.171 0.000 2.441 814 I HA 0.489 4.658 4.170 -0.000 0.000 0.295 814 I C -1.367 174.845 176.117 0.158 0.000 0.994 814 I CA -0.906 60.508 61.300 0.189 0.000 1.144 814 I CB 1.874 40.030 38.000 0.259 0.000 1.314 814 I HN 0.530 nan 8.210 nan 0.000 0.445 815 L N 7.236 128.570 121.223 0.185 0.000 2.381 815 L HA 0.538 4.878 4.340 -0.000 0.000 0.274 815 L C -1.640 175.263 176.870 0.055 0.000 0.988 815 L CA -0.175 54.764 54.840 0.166 0.000 0.824 815 L CB 1.406 43.640 42.059 0.292 0.000 1.263 815 L HN 0.357 nan 8.230 nan 0.000 0.410 816 Y N 1.937 122.332 120.300 0.159 0.000 2.524 816 Y HA 0.700 5.250 4.550 -0.000 0.000 0.344 816 Y C 0.014 175.807 175.900 -0.178 0.000 1.012 816 Y CA -0.522 57.635 58.100 0.096 0.000 1.068 816 Y CB 2.687 41.328 38.460 0.302 0.000 1.249 816 Y HN 0.460 nan 8.280 nan 0.000 0.468 817 T N 3.750 118.305 114.554 0.002 0.000 2.848 817 T HA 0.544 4.894 4.350 -0.000 0.000 0.285 817 T C -1.441 173.212 174.700 -0.079 0.000 0.995 817 T CA -0.557 61.477 62.100 -0.110 0.000 0.970 817 T CB 0.265 69.171 68.868 0.063 0.000 0.976 817 T HN 0.206 nan 8.240 nan 0.000 0.441 818 F N 1.445 121.521 119.950 0.211 0.000 2.492 818 F HA 0.797 5.324 4.527 -0.000 0.000 0.327 818 F C 0.757 176.614 175.800 0.094 0.000 1.079 818 F CA -1.419 56.655 58.000 0.124 0.000 0.967 818 F CB 1.398 40.434 39.000 0.060 0.000 1.169 818 F HN 0.650 nan 8.300 nan 0.000 0.472 819 S N 1.099 116.956 115.700 0.262 0.000 2.603 819 S HA 0.725 5.194 4.470 -0.000 0.000 0.274 819 S C -1.529 173.140 174.600 0.116 0.000 1.168 819 S CA -0.679 57.611 58.200 0.150 0.000 0.963 819 S CB 1.068 64.335 63.200 0.112 0.000 1.078 819 S HN 0.381 nan 8.310 nan 0.000 0.477 820 V N 2.960 122.929 119.914 0.091 0.000 2.540 820 V HA 0.963 5.082 4.120 -0.000 0.000 0.302 820 V C 0.089 176.206 176.094 0.039 0.000 1.035 820 V CA -0.232 62.121 62.300 0.088 0.000 0.873 820 V CB 1.054 32.977 31.823 0.165 0.000 0.992 820 V HN 1.372 nan 8.190 nan 0.000 0.428 821 S N 2.837 118.530 115.700 -0.012 0.000 2.567 821 S HA 0.503 4.973 4.470 -0.000 0.000 0.270 821 S C -0.214 174.321 174.600 -0.109 0.000 1.152 821 S CA -0.608 57.570 58.200 -0.036 0.000 0.835 821 S CB 1.694 64.879 63.200 -0.024 0.000 1.115 821 S HN 0.710 nan 8.310 nan 0.000 0.459 822 N N 1.385 120.020 118.700 -0.108 0.000 2.725 822 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 822 N C -0.333 174.991 175.510 -0.310 0.000 1.103 822 N CA 1.235 54.189 53.050 -0.161 0.000 0.707 822 N CB -1.898 36.505 38.487 -0.139 0.000 1.043 822 N HN 0.973 nan 8.380 nan 0.000 0.553 823 N N -1.585 116.885 118.700 -0.383 0.000 2.735 823 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 823 N C -0.652 173.951 175.510 -1.512 0.000 1.083 823 N CA 1.345 53.835 53.050 -0.934 0.000 0.703 823 N CB -0.682 37.297 38.487 -0.847 0.000 1.005 823 N HN 0.517 nan 8.380 nan 0.000 0.550 824 T N -0.298 113.727 114.554 -0.881 0.000 2.991 824 T HA 0.536 4.885 4.350 -0.000 0.000 0.303 824 T C -1.170 173.387 174.700 -0.238 0.000 1.015 824 T CA -0.879 60.838 62.100 -0.638 0.000 1.007 824 T CB 1.283 69.931 68.868 -0.366 0.000 1.034 824 T HN 0.240 nan 8.240 nan 0.000 0.446 825 L N 4.490 125.689 121.223 -0.040 0.000 2.289 825 L HA 0.654 4.994 4.340 -0.000 0.000 0.285 825 L C -0.781 176.141 176.870 0.087 0.000 1.049 825 L CA 0.021 54.932 54.840 0.118 0.000 0.804 825 L CB 1.105 43.299 42.059 0.225 0.000 1.195 825 L HN 0.630 nan 8.230 nan 0.000 0.428 826 D N 6.518 126.986 120.400 0.114 0.000 2.256 826 D HA 0.360 5.000 4.640 -0.000 0.000 0.240 826 D C -0.560 175.887 176.300 0.246 0.000 1.062 826 D CA 0.065 54.155 54.000 0.149 0.000 0.832 826 D CB 2.110 42.984 40.800 0.123 0.000 1.135 826 D HN 0.454 nan 8.370 nan 0.000 0.484 827 I N 2.390 123.134 120.570 0.291 0.000 2.371 827 I HA 0.125 4.295 4.170 -0.000 0.000 0.282 827 I C -0.429 175.998 176.117 0.516 0.000 1.031 827 I CA -0.675 60.898 61.300 0.454 0.000 1.180 827 I CB 1.431 39.639 38.000 0.346 0.000 1.336 827 I HN -0.010 nan 8.210 nan 0.000 0.467 828 V N 5.071 125.294 119.914 0.514 0.000 2.357 828 V HA 0.228 4.348 4.120 -0.000 0.000 0.284 828 V C -0.017 176.206 176.094 0.214 0.000 1.018 828 V CA -0.765 61.725 62.300 0.316 0.000 0.841 828 V CB 1.486 33.421 31.823 0.187 0.000 0.991 828 V HN 0.813 nan 8.190 nan 0.000 0.437 829 C N 5.445 124.735 119.300 -0.017 0.000 2.349 829 C HA 0.397 4.857 4.460 -0.000 0.000 0.348 829 C C 1.898 176.783 174.990 -0.175 0.000 1.223 829 C CA 0.459 59.190 59.018 -0.479 0.000 1.746 829 C CB -0.262 27.182 27.740 -0.494 0.000 2.360 829 C HN 1.072 nan 8.230 nan 0.000 0.533 830 T N 1.106 115.599 114.554 -0.100 0.000 3.081 830 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 830 T C 0.183 174.952 174.700 0.114 0.000 1.100 830 T CA 0.492 62.615 62.100 0.038 0.000 1.038 830 T CB -0.277 68.650 68.868 0.100 0.000 0.962 830 T HN 0.891 nan 8.240 nan 0.000 0.516 831 H N -0.323 118.712 119.070 -0.059 0.000 3.140 831 H HA 0.501 5.057 4.556 -0.000 0.000 0.336 831 H C -1.936 173.327 175.328 -0.109 0.000 1.142 831 H CA -0.414 55.595 56.048 -0.064 0.000 1.308 831 H CB 1.625 31.377 29.762 -0.016 0.000 1.970 831 H HN 0.066 nan 8.280 nan 0.000 0.521 832 S N 3.522 118.948 115.700 -0.456 0.000 2.609 832 S HA 0.605 5.075 4.470 -0.000 0.000 0.250 832 S C -0.976 173.462 174.600 -0.269 0.000 1.112 832 S CA 0.258 58.322 58.200 -0.228 0.000 1.102 832 S CB -0.005 63.120 63.200 -0.124 0.000 1.124 832 S HN 0.992 nan 8.310 nan 0.000 0.460 833 S N 3.352 118.953 115.700 -0.164 0.000 2.598 833 S HA 0.472 4.942 4.470 -0.000 0.000 0.209 833 S C -0.852 173.800 174.600 0.086 0.000 1.029 833 S CA -0.293 57.855 58.200 -0.086 0.000 1.172 833 S CB 0.246 63.361 63.200 -0.141 0.000 1.427 833 S HN 0.847 nan 8.310 nan 0.000 0.418 834 Y N 1.138 121.420 120.300 -0.030 0.000 2.422 834 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 834 Y C 0.816 176.738 175.900 0.037 0.000 1.097 834 Y CA -0.074 58.034 58.100 0.014 0.000 1.307 834 Y CB 0.447 38.927 38.460 0.034 0.000 1.102 834 Y HN 0.300 nan 8.280 nan 0.000 0.520 835 Q N 2.589 122.250 119.800 -0.231 0.000 2.030 835 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 835 Q C 1.816 177.586 176.000 -0.384 0.000 0.986 835 Q CA 2.778 58.441 55.803 -0.233 0.000 0.843 835 Q CB -1.194 27.469 28.738 -0.124 0.000 0.904 835 Q HN 0.922 nan 8.270 nan 0.000 0.420 836 E N 0.341 120.182 120.200 -0.598 0.000 2.267 836 E HA 0.053 4.403 4.350 -0.000 0.000 0.197 836 E C 2.331 178.671 176.600 -0.434 0.000 0.998 836 E CA 1.429 57.553 56.400 -0.460 0.000 0.830 836 E CB -1.224 28.292 29.700 -0.306 0.000 0.751 836 E HN 0.850 nan 8.360 nan 0.000 0.491 837 G N -0.099 108.258 108.800 -0.738 0.000 2.484 837 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 837 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 837 G C 1.880 176.760 174.900 -0.033 0.000 1.130 837 G CA 1.405 46.467 45.100 -0.064 0.000 0.784 837 G HN 0.495 nan 8.290 nan 0.000 0.543 838 T N 1.351 115.852 114.554 -0.088 0.000 2.915 838 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 838 T C 2.736 177.416 174.700 -0.032 0.000 1.071 838 T CA 1.735 63.821 62.100 -0.024 0.000 1.132 838 T CB -0.423 68.430 68.868 -0.025 0.000 0.878 838 T HN 0.548 nan 8.240 nan 0.000 0.479 839 T N 0.496 115.015 114.554 -0.059 0.000 2.962 839 T HA 0.124 4.474 4.350 -0.000 0.000 0.270 839 T C 0.850 175.510 174.700 -0.067 0.000 1.088 839 T CA 0.389 62.459 62.100 -0.050 0.000 1.127 839 T CB -0.529 68.311 68.868 -0.047 0.000 0.883 839 T HN 0.243 nan 8.240 nan 0.000 0.493 840 L N 1.359 122.523 121.223 -0.098 0.000 2.439 840 L HA 0.656 4.996 4.340 -0.000 0.000 0.261 840 L C 0.288 177.018 176.870 -0.233 0.000 1.153 840 L CA -0.805 53.927 54.840 -0.181 0.000 0.808 840 L CB 0.903 42.794 42.059 -0.280 0.000 1.126 840 L HN 0.314 nan 8.230 nan 0.000 0.460 841 A N 1.277 123.918 122.820 -0.299 0.000 2.574 841 A HA 0.674 4.994 4.320 -0.000 0.000 0.297 841 A C -1.233 176.101 177.584 -0.417 0.000 1.062 841 A CA -0.603 51.231 52.037 -0.338 0.000 0.686 841 A CB 0.825 19.717 19.000 -0.180 0.000 1.285 841 A HN 0.381 nan 8.150 nan 0.000 0.403 842 F N 1.009 120.808 119.950 -0.251 0.000 2.504 842 F HA 0.317 4.844 4.527 -0.000 0.000 0.369 842 F C 1.485 177.134 175.800 -0.250 0.000 1.082 842 F CA 0.698 58.526 58.000 -0.288 0.000 1.216 842 F CB 0.845 39.629 39.000 -0.360 0.000 1.108 842 F HN 0.677 nan 8.300 nan 0.000 0.554 843 Q N 0.750 120.531 119.800 -0.031 0.000 2.149 843 Q HA 0.155 4.495 4.340 -0.000 0.000 0.221 843 Q C -0.018 175.949 176.000 -0.056 0.000 0.807 843 Q CA -0.038 55.730 55.803 -0.057 0.000 1.000 843 Q CB 1.360 30.066 28.738 -0.054 0.000 1.157 843 Q HN 0.659 nan 8.270 nan 0.000 0.487 844 T N -0.205 114.307 114.554 -0.071 0.000 3.295 844 T HA 0.408 4.758 4.350 -0.000 0.000 0.331 844 T C -1.865 172.747 174.700 -0.146 0.000 1.142 844 T CA -0.392 61.654 62.100 -0.090 0.000 1.078 844 T CB 1.430 70.262 68.868 -0.060 0.000 1.150 844 T HN -0.119 nan 8.240 nan 0.000 0.465 845 V N 6.021 125.825 119.914 -0.183 0.000 2.443 845 V HA 0.579 4.698 4.120 -0.000 0.000 0.293 845 V C -0.124 175.820 176.094 -0.250 0.000 1.021 845 V CA -0.884 61.266 62.300 -0.251 0.000 0.848 845 V CB 1.748 33.396 31.823 -0.292 0.000 0.998 845 V HN 0.836 nan 8.190 nan 0.000 0.424 846 K N 5.482 125.731 120.400 -0.253 0.000 2.235 846 K HA 0.705 5.025 4.320 -0.000 0.000 0.266 846 K C -1.376 175.032 176.600 -0.320 0.000 0.980 846 K CA -0.597 55.537 56.287 -0.256 0.000 0.849 846 K CB 1.394 33.766 32.500 -0.213 0.000 1.098 846 K HN 0.633 nan 8.250 nan 0.000 0.445 847 I N 6.167 126.514 120.570 -0.372 0.000 2.382 847 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 847 I C -0.542 175.356 176.117 -0.365 0.000 1.002 847 I CA -0.761 60.280 61.300 -0.430 0.000 1.135 847 I CB 1.431 39.020 38.000 -0.686 0.000 1.288 847 I HN 0.427 nan 8.210 nan 0.000 0.448 848 L N 5.415 126.391 121.223 -0.411 0.000 2.343 848 L HA 0.662 5.002 4.340 -0.000 0.000 0.275 848 L C 0.903 177.508 176.870 -0.443 0.000 1.056 848 L CA -0.764 53.774 54.840 -0.504 0.000 0.804 848 L CB 1.309 42.862 42.059 -0.844 0.000 1.203 848 L HN 0.862 nan 8.230 nan 0.000 0.440 849 G N 2.735 111.430 108.800 -0.176 0.000 2.385 849 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.294 849 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.294 849 G C -0.552 174.401 174.900 0.088 0.000 1.070 849 G CA -0.461 44.722 45.100 0.139 0.000 1.172 849 G HN 0.395 nan 8.290 nan 0.000 0.516 850 L N 0.153 121.419 121.223 0.071 0.000 2.331 850 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 850 L C 1.884 178.834 176.870 0.134 0.000 1.106 850 L CA 0.238 55.148 54.840 0.116 0.000 0.824 850 L CB 1.380 43.538 42.059 0.164 0.000 1.142 850 L HN 0.346 nan 8.230 nan 0.000 0.443 851 T N 0.637 115.265 114.554 0.123 0.000 2.985 851 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 851 T C 0.054 174.808 174.700 0.090 0.000 1.076 851 T CA 0.869 63.027 62.100 0.096 0.000 1.135 851 T CB -0.037 68.877 68.868 0.076 0.000 0.890 851 T HN 0.657 nan 8.240 nan 0.000 0.480 852 D N -0.243 120.212 120.400 0.092 0.000 2.756 852 D HA 0.443 5.083 4.640 -0.000 0.000 0.226 852 D C -0.667 175.619 176.300 -0.024 0.000 1.186 852 D CA -0.510 53.518 54.000 0.047 0.000 0.845 852 D CB 1.861 42.675 40.800 0.023 0.000 1.610 852 D HN 0.193 nan 8.370 nan 0.000 0.465 853 S N 0.670 116.300 115.700 -0.118 0.000 2.593 853 S HA 0.530 5.000 4.470 -0.000 0.000 0.269 853 S C -0.185 174.110 174.600 -0.508 0.000 1.334 853 S CA -0.679 57.196 58.200 -0.542 0.000 1.015 853 S CB 1.081 64.096 63.200 -0.308 0.000 0.912 853 S HN 0.267 nan 8.310 nan 0.000 0.541 854 V N 2.088 121.530 119.914 -0.785 0.000 2.459 854 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 854 V C 0.646 176.667 176.094 -0.123 0.000 1.029 854 V CA -0.538 61.556 62.300 -0.343 0.000 0.874 854 V CB 1.543 33.183 31.823 -0.305 0.000 0.985 854 V HN 1.153 nan 8.190 nan 0.000 0.438 855 T N 2.790 117.318 114.554 -0.043 0.000 3.071 855 T HA 0.134 4.484 4.350 -0.000 0.000 0.239 855 T C 0.312 175.098 174.700 0.144 0.000 0.997 855 T CA 0.353 62.495 62.100 0.069 0.000 1.134 855 T CB 0.352 69.234 68.868 0.023 0.000 0.928 855 T HN 0.722 nan 8.240 nan 0.000 0.453 856 E N 0.854 121.055 120.200 0.001 0.000 2.293 856 E HA 0.565 4.915 4.350 -0.000 0.000 0.270 856 E C -1.733 174.774 176.600 -0.155 0.000 0.879 856 E CA -0.656 55.745 56.400 0.002 0.000 0.756 856 E CB 1.875 31.586 29.700 0.018 0.000 1.208 856 E HN -0.087 nan 8.360 nan 0.000 0.428 857 V N 4.497 124.319 119.914 -0.154 0.000 2.495 857 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 857 V C -0.229 175.880 176.094 0.026 0.000 1.031 857 V CA -0.704 61.514 62.300 -0.138 0.000 0.871 857 V CB 1.682 33.328 31.823 -0.295 0.000 0.988 857 V HN 0.679 nan 8.190 nan 0.000 0.432 858 R N 2.538 123.049 120.500 0.018 0.000 2.686 858 R HA 0.866 5.206 4.340 -0.000 0.000 0.286 858 R C -1.739 174.585 176.300 0.040 0.000 0.969 858 R CA -0.669 55.457 56.100 0.043 0.000 0.898 858 R CB 2.580 32.890 30.300 0.017 0.000 1.183 858 R HN 0.520 nan 8.270 nan 0.000 0.456 859 V N 1.503 121.457 119.914 0.066 0.000 2.577 859 V HA 0.709 4.829 4.120 -0.000 0.000 0.303 859 V C -0.780 175.379 176.094 0.109 0.000 1.042 859 V CA -0.856 61.489 62.300 0.074 0.000 0.872 859 V CB 1.791 33.645 31.823 0.053 0.000 0.998 859 V HN 0.916 nan 8.190 nan 0.000 0.423 860 A N 3.206 126.105 122.820 0.132 0.000 2.371 860 A HA 0.801 5.121 4.320 -0.000 0.000 0.311 860 A C -0.560 177.144 177.584 0.200 0.000 1.068 860 A CA -0.607 51.508 52.037 0.131 0.000 0.744 860 A CB 1.472 20.515 19.000 0.071 0.000 1.239 860 A HN 0.872 nan 8.150 nan 0.000 0.435 861 E N 2.439 122.733 120.200 0.157 0.000 2.266 861 E HA 0.274 4.624 4.350 -0.000 0.000 0.277 861 E C 0.599 177.132 176.600 -0.110 0.000 1.018 861 E CA -0.451 55.933 56.400 -0.027 0.000 0.840 861 E CB 0.486 30.177 29.700 -0.015 0.000 1.082 861 E HN 0.781 nan 8.360 nan 0.000 0.395 862 N N 2.991 121.550 118.700 -0.234 0.000 1.758 862 N HA -0.329 4.411 4.740 -0.000 0.000 0.152 862 N C 0.161 175.638 175.510 -0.055 0.000 0.558 862 N CA 2.280 55.248 53.050 -0.138 0.000 1.229 862 N CB -1.092 37.326 38.487 -0.116 0.000 1.337 862 N HN 0.682 nan 8.380 nan 0.000 0.432 863 N N 1.000 119.680 118.700 -0.034 0.000 2.143 863 N HA 0.220 4.960 4.740 -0.000 0.000 0.229 863 N C -0.877 174.630 175.510 -0.004 0.000 1.294 863 N CA 0.030 53.072 53.050 -0.013 0.000 0.883 863 N CB 0.554 39.035 38.487 -0.010 0.000 1.148 863 N HN 0.363 nan 8.380 nan 0.000 0.511 864 Q N 0.955 120.753 119.800 -0.003 0.000 2.414 864 Q HA 0.112 4.452 4.340 -0.000 0.000 0.288 864 Q C -2.141 173.869 176.000 0.018 0.000 1.086 864 Q CA -0.819 54.990 55.803 0.009 0.000 0.943 864 Q CB -0.016 28.732 28.738 0.016 0.000 1.282 864 Q HN 0.161 nan 8.270 nan 0.000 0.438 865 P HA -0.012 nan 4.420 nan 0.000 0.272 865 P C -0.886 176.433 177.300 0.031 0.000 1.223 865 P CA 0.096 63.207 63.100 0.019 0.000 0.784 865 P CB 0.537 32.246 31.700 0.015 0.000 0.923 866 M N 2.755 122.372 119.600 0.028 0.000 2.162 866 M HA 0.144 4.623 4.480 -0.000 0.000 0.356 866 M C 0.320 176.646 176.300 0.044 0.000 1.303 866 M CA 0.056 55.380 55.300 0.040 0.000 1.116 866 M CB 0.220 32.835 32.600 0.025 0.000 1.632 866 M HN 0.289 nan 8.290 nan 0.000 0.469 867 N N 2.172 120.910 118.700 0.063 0.000 2.489 867 N HA 0.578 5.318 4.740 -0.000 0.000 0.284 867 N C -0.643 174.917 175.510 0.084 0.000 1.158 867 N CA -0.623 52.466 53.050 0.066 0.000 0.965 867 N CB 0.837 39.367 38.487 0.072 0.000 1.195 867 N HN 0.659 nan 8.380 nan 0.000 0.506 868 A N 0.076 122.944 122.820 0.079 0.000 2.425 868 A HA 0.152 4.472 4.320 -0.000 0.000 0.242 868 A C -0.420 177.255 177.584 0.152 0.000 1.077 868 A CA 0.155 52.253 52.037 0.102 0.000 0.781 868 A CB -0.277 18.771 19.000 0.080 0.000 1.020 868 A HN 0.831 nan 8.150 nan 0.000 0.494 869 H N 0.580 119.700 119.070 0.083 0.000 2.547 869 H HA 0.464 5.020 4.556 -0.000 0.000 0.342 869 H C 0.740 176.188 175.328 0.200 0.000 1.048 869 H CA 0.057 56.170 56.048 0.108 0.000 1.204 869 H CB 1.664 31.477 29.762 0.085 0.000 1.493 869 H HN 0.511 nan 8.280 nan 0.000 0.511 870 S N 2.566 118.151 115.700 -0.192 0.000 2.371 870 S HA -0.072 4.398 4.470 -0.000 0.000 0.219 870 S C 0.706 175.287 174.600 -0.032 0.000 1.040 870 S CA 0.099 58.268 58.200 -0.052 0.000 0.958 870 S CB -0.201 62.930 63.200 -0.115 0.000 0.860 870 S HN 0.622 nan 8.310 nan 0.000 0.487 871 N N 2.074 120.660 118.700 -0.190 0.000 2.410 871 N HA 0.351 5.091 4.740 -0.000 0.000 0.281 871 N C -0.892 174.781 175.510 0.272 0.000 1.241 871 N CA -0.012 53.027 53.050 -0.018 0.000 0.998 871 N CB -0.574 37.896 38.487 -0.027 0.000 1.376 871 N HN 0.420 nan 8.380 nan 0.000 0.490 872 F N -0.907 119.085 119.950 0.070 0.000 2.693 872 F HA 0.625 5.152 4.527 -0.000 0.000 0.309 872 F C -1.149 174.674 175.800 0.038 0.000 1.129 872 F CA -0.957 57.085 58.000 0.070 0.000 0.948 872 F CB 1.039 40.101 39.000 0.103 0.000 1.315 872 F HN -0.095 nan 8.300 nan 0.000 0.447 873 T N 2.108 116.808 114.554 0.242 0.000 2.881 873 T HA 0.399 4.748 4.350 -0.000 0.000 0.290 873 T C -2.245 172.621 174.700 0.276 0.000 1.000 873 T CA -0.474 61.695 62.100 0.115 0.000 0.978 873 T CB 1.247 70.124 68.868 0.014 0.000 0.997 873 T HN 0.716 nan 8.240 nan 0.000 0.443 874 Y N 2.738 123.114 120.300 0.127 0.000 2.328 874 Y HA 0.544 5.094 4.550 -0.000 0.000 0.336 874 Y C -0.940 174.977 175.900 0.030 0.000 0.960 874 Y CA -1.351 56.808 58.100 0.100 0.000 1.134 874 Y CB 1.216 39.775 38.460 0.166 0.000 1.166 874 Y HN 0.557 nan 8.280 nan 0.000 0.464 875 D N 4.778 124.768 120.400 -0.683 0.000 2.460 875 D HA 0.384 5.023 4.640 -0.000 0.000 0.232 875 D C 0.396 176.217 176.300 -0.799 0.000 1.079 875 D CA -0.005 53.658 54.000 -0.560 0.000 0.864 875 D CB 1.423 42.045 40.800 -0.297 0.000 1.048 875 D HN 0.705 nan 8.370 nan 0.000 0.523 876 A N 2.737 125.157 122.820 -0.666 0.000 2.121 876 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 876 A C 1.960 179.443 177.584 -0.169 0.000 1.154 876 A CA 1.123 52.941 52.037 -0.364 0.000 0.679 876 A CB -0.143 18.847 19.000 -0.017 0.000 0.795 876 A HN 0.531 nan 8.150 nan 0.000 0.458 877 S N 0.942 116.544 115.700 -0.163 0.000 2.357 877 S HA -0.097 4.373 4.470 -0.000 0.000 0.221 877 S C 1.417 175.961 174.600 -0.094 0.000 1.031 877 S CA 1.366 59.507 58.200 -0.098 0.000 0.982 877 S CB -0.347 62.801 63.200 -0.086 0.000 0.853 877 S HN 0.646 nan 8.310 nan 0.000 0.458 878 N N 1.033 119.656 118.700 -0.128 0.000 2.336 878 N HA 0.118 4.858 4.740 -0.000 0.000 0.189 878 N C -0.471 174.985 175.510 -0.089 0.000 1.113 878 N CA 0.056 53.048 53.050 -0.097 0.000 0.858 878 N CB -0.114 38.311 38.487 -0.105 0.000 0.970 878 N HN 0.207 nan 8.380 nan 0.000 0.471 879 Q N -0.815 118.906 119.800 -0.133 0.000 2.434 879 Q HA -0.157 4.183 4.340 -0.000 0.000 0.299 879 Q C -0.811 175.136 176.000 -0.088 0.000 1.286 879 Q CA 0.554 56.312 55.803 -0.075 0.000 0.872 879 Q CB -2.419 26.345 28.738 0.044 0.000 1.193 879 Q HN 0.118 nan 8.270 nan 0.000 0.466 880 V N 0.988 120.785 119.914 -0.195 0.000 2.483 880 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 880 V C 0.048 176.058 176.094 -0.141 0.000 1.035 880 V CA -0.915 61.281 62.300 -0.173 0.000 0.896 880 V CB 1.827 33.543 31.823 -0.178 0.000 0.986 880 V HN 0.359 nan 8.190 nan 0.000 0.447 881 L N 6.899 128.048 121.223 -0.123 0.000 2.333 881 L HA 0.761 5.101 4.340 -0.000 0.000 0.280 881 L C -0.760 176.023 176.870 -0.144 0.000 1.004 881 L CA -0.240 54.558 54.840 -0.069 0.000 0.820 881 L CB 1.516 43.470 42.059 -0.174 0.000 1.247 881 L HN 0.683 nan 8.230 nan 0.000 0.416 882 L N 3.963 125.153 121.223 -0.054 0.000 2.349 882 L HA 0.699 5.039 4.340 -0.000 0.000 0.278 882 L C -1.172 175.701 176.870 0.005 0.000 0.996 882 L CA -0.501 54.294 54.840 -0.075 0.000 0.825 882 L CB 1.452 43.462 42.059 -0.081 0.000 1.243 882 L HN 0.500 nan 8.230 nan 0.000 0.412 883 I N 4.297 124.835 120.570 -0.053 0.000 2.297 883 I HA 0.650 4.820 4.170 -0.000 0.000 0.291 883 I C 0.666 176.787 176.117 0.006 0.000 1.033 883 I CA -0.189 61.112 61.300 0.002 0.000 1.253 883 I CB 1.387 39.301 38.000 -0.143 0.000 1.396 883 I HN 0.896 nan 8.210 nan 0.000 0.476 884 A N 4.312 127.202 122.820 0.117 0.000 2.281 884 A HA 0.483 4.802 4.320 -0.000 0.000 0.329 884 A C 0.057 177.744 177.584 0.171 0.000 1.122 884 A CA -0.423 51.667 52.037 0.089 0.000 0.850 884 A CB 0.466 19.504 19.000 0.064 0.000 1.207 884 A HN 0.792 nan 8.150 nan 0.000 0.495 885 D N -0.827 119.625 120.400 0.088 0.000 2.737 885 D HA -0.129 4.511 4.640 -0.000 0.000 0.238 885 D C -0.576 175.823 176.300 0.165 0.000 1.157 885 D CA 1.079 55.137 54.000 0.096 0.000 0.694 885 D CB -1.250 39.598 40.800 0.080 0.000 1.021 885 D HN 0.389 nan 8.370 nan 0.000 0.420 886 L N -0.301 120.948 121.223 0.044 0.000 2.376 886 L HA 0.552 4.892 4.340 -0.000 0.000 0.267 886 L C 1.129 177.965 176.870 -0.057 0.000 1.035 886 L CA -0.586 54.242 54.840 -0.019 0.000 0.800 886 L CB 0.732 42.683 42.059 -0.180 0.000 1.290 886 L HN -0.182 nan 8.230 nan 0.000 0.462 887 K N 0.767 121.099 120.400 -0.113 0.000 3.309 887 K HA 0.425 4.745 4.320 -0.000 0.000 0.187 887 K C -1.509 174.916 176.600 -0.292 0.000 1.085 887 K CA 0.034 56.244 56.287 -0.129 0.000 0.867 887 K CB -0.047 32.428 32.500 -0.042 0.000 0.846 887 K HN 0.374 nan 8.250 nan 0.000 0.522 888 L N 1.690 122.633 121.223 -0.466 0.000 2.385 888 L HA 0.331 4.671 4.340 -0.000 0.000 0.285 888 L C -0.298 176.390 176.870 -0.304 0.000 1.125 888 L CA -0.583 53.678 54.840 -0.965 0.000 0.890 888 L CB -0.045 41.507 42.059 -0.846 0.000 1.251 888 L HN 0.233 nan 8.230 nan 0.000 0.445 889 N N 2.622 121.312 118.700 -0.017 0.000 2.458 889 N HA 0.290 5.030 4.740 -0.000 0.000 0.270 889 N C -0.477 175.207 175.510 0.290 0.000 1.102 889 N CA -0.612 52.514 53.050 0.125 0.000 0.967 889 N CB 0.906 39.488 38.487 0.158 0.000 1.078 889 N HN 0.323 nan 8.380 nan 0.000 0.471 890 L N 2.267 123.570 121.223 0.134 0.000 2.601 890 L HA 0.097 4.437 4.340 -0.000 0.000 0.277 890 L C 1.578 178.647 176.870 0.330 0.000 1.219 890 L CA 1.259 56.284 54.840 0.309 0.000 0.915 890 L CB -0.348 41.797 42.059 0.145 0.000 1.160 890 L HN 0.910 nan 8.230 nan 0.000 0.494 891 G N 2.935 111.994 108.800 0.431 0.000 2.617 891 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.197 891 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.197 891 G C 0.529 175.532 174.900 0.171 0.000 1.017 891 G CA -0.386 44.835 45.100 0.202 0.000 0.713 891 G HN 0.483 nan 8.290 nan 0.000 0.481 892 R N 0.181 120.861 120.500 0.301 0.000 2.902 892 R HA 0.622 4.962 4.340 -0.000 0.000 0.258 892 R C -1.005 175.332 176.300 0.062 0.000 1.071 892 R CA -0.925 55.228 56.100 0.088 0.000 1.024 892 R CB 0.757 31.026 30.300 -0.052 0.000 1.184 892 R HN 0.142 nan 8.270 nan 0.000 0.492 893 N N 0.463 119.018 118.700 -0.241 0.000 2.487 893 N HA 0.451 5.190 4.740 -0.000 0.000 0.292 893 N C -1.238 173.923 175.510 -0.583 0.000 1.108 893 N CA 0.052 53.011 53.050 -0.152 0.000 0.956 893 N CB 0.737 39.196 38.487 -0.047 0.000 1.176 893 N HN 0.266 nan 8.380 nan 0.000 0.484 894 F N -0.932 119.121 119.950 0.171 0.000 2.631 894 F HA 0.472 4.998 4.527 -0.000 0.000 0.308 894 F C 0.090 175.937 175.800 0.077 0.000 1.097 894 F CA -0.739 57.325 58.000 0.107 0.000 0.952 894 F CB 1.864 40.920 39.000 0.095 0.000 1.307 894 F HN 0.131 nan 8.300 nan 0.000 0.450 895 S N 0.957 116.803 115.700 0.243 0.000 2.521 895 S HA 0.822 5.292 4.470 -0.000 0.000 0.295 895 S C -1.376 173.285 174.600 0.102 0.000 1.098 895 S CA -0.638 57.640 58.200 0.130 0.000 0.999 895 S CB 1.906 65.146 63.200 0.067 0.000 1.034 895 S HN 0.335 nan 8.310 nan 0.000 0.483 896 V N 4.002 123.960 119.914 0.075 0.000 2.487 896 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 896 V C -0.432 175.695 176.094 0.055 0.000 1.028 896 V CA -0.699 61.651 62.300 0.083 0.000 0.860 896 V CB 1.732 33.615 31.823 0.100 0.000 0.991 896 V HN 0.780 nan 8.190 nan 0.000 0.427 897 Q N 2.800 122.602 119.800 0.003 0.000 2.345 897 Q HA 0.588 4.927 4.340 -0.000 0.000 0.268 897 Q C -1.321 174.675 176.000 -0.007 0.000 1.054 897 Q CA -0.629 55.057 55.803 -0.195 0.000 0.835 897 Q CB 3.143 31.771 28.738 -0.185 0.000 1.339 897 Q HN 0.844 nan 8.270 nan 0.000 0.447 898 W N 0.000 121.211 121.300 -0.148 0.000 2.388 898 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 898 W CA 0.000 57.221 57.345 -0.206 0.000 1.226 898 W CB 0.000 29.322 29.460 -0.231 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535