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_D 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 -0.016 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 2.715 121.312 118.600 -0.005 0.000 2.771 30 c HA 0.897 5.467 4.570 -0.001 0.000 0.333 30 c C -2.044 172.079 174.090 0.056 0.000 1.267 30 c CA -1.142 55.189 56.329 0.003 0.000 1.721 30 c CB 1.641 44.148 42.510 -0.006 0.000 2.222 30 c HN 0.938 nan 8.230 nan 0.000 0.485 31 P HA 0.175 nan 4.420 nan 0.000 0.265 31 P C 0.486 177.827 177.300 0.068 0.000 1.193 31 P CA 0.668 63.827 63.100 0.099 0.000 0.765 31 P CB 0.275 32.055 31.700 0.133 0.000 0.823 32 N N 2.851 121.581 118.700 0.050 0.000 2.069 32 N HA -0.110 4.629 4.740 -0.001 0.000 0.191 32 N C 1.078 176.611 175.510 0.038 0.000 1.031 32 N CA 1.297 54.369 53.050 0.037 0.000 0.852 32 N CB -0.743 37.761 38.487 0.028 0.000 1.018 32 N HN 0.461 nan 8.380 nan 0.000 0.423 33 V N 0.813 120.752 119.914 0.041 0.000 2.599 33 V HA 0.411 4.531 4.120 -0.001 0.000 0.300 33 V C 2.006 178.131 176.094 0.052 0.000 1.034 33 V CA 0.644 62.969 62.300 0.040 0.000 1.115 33 V CB 0.324 32.168 31.823 0.036 0.000 0.934 33 V HN 0.718 nan 8.190 nan 0.000 0.485 34 L N 4.684 125.936 121.223 0.047 0.000 2.007 34 L HA 0.116 4.456 4.340 -0.001 0.000 0.205 34 L C 2.015 178.928 176.870 0.073 0.000 1.073 34 L CA 2.254 57.127 54.840 0.055 0.000 0.744 34 L CB -2.061 40.022 42.059 0.039 0.000 0.898 34 L HN 1.074 nan 8.230 nan 0.000 0.435 35 N N 1.843 120.584 118.700 0.067 0.000 3.254 35 N HA 0.321 5.061 4.740 -0.001 0.000 0.308 35 N C 0.375 175.930 175.510 0.076 0.000 1.281 35 N CA 0.147 53.252 53.050 0.091 0.000 1.212 35 N CB -1.240 37.296 38.487 0.082 0.000 1.478 35 N HN 0.923 nan 8.380 nan 0.000 0.548 36 D N 0.166 120.604 120.400 0.064 0.000 2.362 36 D HA 0.080 4.719 4.640 -0.001 0.000 0.238 36 D C -2.333 173.946 176.300 -0.036 0.000 1.212 36 D CA -0.743 53.270 54.000 0.022 0.000 0.902 36 D CB 0.663 41.485 40.800 0.037 0.000 1.180 36 D HN 0.256 nan 8.370 nan 0.000 0.445 37 P HA 0.062 nan 4.420 nan 0.000 0.287 37 P C 1.016 178.201 177.300 -0.191 0.000 1.294 37 P CA -0.571 62.473 63.100 -0.093 0.000 0.776 37 P CB 1.526 33.193 31.700 -0.055 0.000 0.889 38 V N 0.885 120.639 119.914 -0.265 0.000 2.719 38 V HA -0.098 4.022 4.120 -0.001 0.000 0.252 38 V C 1.411 177.387 176.094 -0.196 0.000 1.065 38 V CA 1.178 63.225 62.300 -0.421 0.000 1.086 38 V CB -1.415 29.943 31.823 -0.775 0.000 0.700 38 V HN 0.370 nan 8.190 nan 0.000 0.467 39 N N 0.279 118.929 118.700 -0.084 0.000 2.571 39 N HA 0.051 4.791 4.740 -0.001 0.000 0.189 39 N C 1.166 176.636 175.510 -0.067 0.000 1.154 39 N CA 0.732 53.774 53.050 -0.013 0.000 0.907 39 N CB 0.353 38.803 38.487 -0.062 0.000 0.977 39 N HN 0.425 nan 8.380 nan 0.000 0.449 40 V N 0.676 120.536 119.914 -0.089 0.000 3.578 40 V HA 0.105 4.224 4.120 -0.001 0.000 0.290 40 V C 0.523 176.574 176.094 -0.072 0.000 1.376 40 V CA 0.079 62.333 62.300 -0.077 0.000 1.083 40 V CB -0.089 31.692 31.823 -0.069 0.000 0.911 40 V HN 0.155 nan 8.190 nan 0.000 0.433 41 R N 0.714 121.124 120.500 -0.151 0.000 2.351 41 R HA 0.269 4.609 4.340 -0.001 0.000 0.318 41 R C -0.792 175.527 176.300 0.033 0.000 1.055 41 R CA -0.105 55.842 56.100 -0.255 0.000 0.968 41 R CB 0.510 30.383 30.300 -0.712 0.000 0.974 41 R HN 0.136 nan 8.270 nan 0.000 0.439 42 I N 3.258 123.932 120.570 0.173 0.000 2.304 42 I HA 0.007 4.177 4.170 -0.001 0.000 0.291 42 I C 0.387 176.661 176.117 0.262 0.000 1.018 42 I CA -0.447 61.010 61.300 0.262 0.000 1.260 42 I CB 0.789 38.986 38.000 0.327 0.000 1.390 42 I HN 0.435 nan 8.210 nan 0.000 0.475 43 N N 4.839 123.604 118.700 0.108 0.000 2.411 43 N HA -0.110 4.630 4.740 -0.001 0.000 0.261 43 N C 0.788 176.159 175.510 -0.231 0.000 1.248 43 N CA 0.381 53.398 53.050 -0.055 0.000 0.885 43 N CB 0.702 39.097 38.487 -0.153 0.000 1.062 43 N HN 0.805 nan 8.380 nan 0.000 0.471 44 c N 4.313 122.606 118.600 -0.512 0.000 2.735 44 c HA 0.371 4.941 4.570 -0.001 0.000 0.271 44 c C 0.838 174.661 174.090 -0.446 0.000 1.281 44 c CA -0.190 55.558 56.329 -0.967 0.000 1.719 44 c CB -0.644 41.249 42.510 -1.027 0.000 2.024 44 c HN 0.692 nan 8.230 nan 0.000 0.566 45 I N 2.469 122.888 120.570 -0.251 0.000 2.621 45 I HA 0.282 4.451 4.170 -0.001 0.000 0.276 45 I C -1.872 174.194 176.117 -0.085 0.000 1.118 45 I CA -1.093 60.120 61.300 -0.145 0.000 1.159 45 I CB 1.202 39.133 38.000 -0.114 0.000 1.357 45 I HN 0.109 nan 8.210 nan 0.000 0.513 46 P HA 0.086 nan 4.420 nan 0.000 0.261 46 P C 0.310 177.688 177.300 0.130 0.000 1.268 46 P CA 0.551 63.658 63.100 0.013 0.000 0.833 46 P CB 0.315 32.045 31.700 0.049 0.000 1.231 47 E N -1.318 118.988 120.200 0.177 0.000 2.676 47 E HA 0.214 4.564 4.350 -0.001 0.000 0.222 47 E C 0.442 177.120 176.600 0.130 0.000 0.968 47 E CA -0.355 56.178 56.400 0.222 0.000 1.090 47 E CB 0.347 30.288 29.700 0.401 0.000 1.066 47 E HN 0.131 nan 8.360 nan 0.000 0.496 48 Q N 0.053 119.905 119.800 0.086 0.000 2.594 48 Q HA 0.264 4.604 4.340 -0.001 0.000 0.278 48 Q C -1.493 174.551 176.000 0.073 0.000 0.961 48 Q CA -0.986 54.868 55.803 0.086 0.000 0.844 48 Q CB 1.051 29.838 28.738 0.082 0.000 1.475 48 Q HN 0.128 nan 8.270 nan 0.000 0.389 49 F N 3.916 123.843 119.950 -0.039 0.000 2.578 49 F HA 0.268 4.795 4.527 -0.001 0.000 0.381 49 F C -1.987 173.799 175.800 -0.024 0.000 1.069 49 F CA -0.987 56.971 58.000 -0.070 0.000 1.231 49 F CB 0.636 39.603 39.000 -0.054 0.000 1.086 49 F HN 0.340 nan 8.300 nan 0.000 0.564 50 P HA 0.126 nan 4.420 nan 0.000 0.264 50 P C -1.022 176.221 177.300 -0.094 0.000 1.193 50 P CA 0.079 63.009 63.100 -0.284 0.000 0.763 50 P CB 0.533 32.064 31.700 -0.282 0.000 0.810 51 T N -1.456 113.096 114.554 -0.003 0.000 2.893 51 T HA 0.300 4.650 4.350 -0.001 0.000 0.291 51 T C 0.905 175.175 174.700 -0.715 0.000 1.028 51 T CA -0.799 61.203 62.100 -0.163 0.000 0.995 51 T CB 1.929 70.747 68.868 -0.082 0.000 1.051 51 T HN 0.348 nan 8.240 nan 0.000 0.470 52 E N 1.605 121.040 120.200 -1.276 0.000 2.118 52 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 52 E C 2.074 178.227 176.600 -0.745 0.000 0.992 52 E CA 1.617 57.016 56.400 -1.668 0.000 0.804 52 E CB -0.697 28.172 29.700 -1.384 0.000 0.741 52 E HN 0.896 nan 8.360 nan 0.000 0.458 53 G N 0.914 109.443 108.800 -0.450 0.000 2.404 53 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.215 53 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.215 53 G C 1.561 176.336 174.900 -0.207 0.000 1.174 53 G CA 0.642 45.584 45.100 -0.264 0.000 0.780 53 G HN 0.223 nan 8.290 nan 0.000 0.537 54 I N -0.010 120.444 120.570 -0.192 0.000 2.394 54 I HA -0.136 4.034 4.170 -0.001 0.000 0.251 54 I C 2.850 178.881 176.117 -0.144 0.000 1.136 54 I CA 0.256 61.469 61.300 -0.144 0.000 1.425 54 I CB -0.185 37.747 38.000 -0.113 0.000 1.079 54 I HN 0.297 nan 8.210 nan 0.000 0.425 55 c N 0.796 119.299 118.600 -0.161 0.000 2.388 55 c HA -0.264 4.306 4.570 -0.001 0.000 0.277 55 c C 3.221 177.255 174.090 -0.094 0.000 1.210 55 c CA 1.465 57.742 56.329 -0.087 0.000 1.743 55 c CB -1.023 41.511 42.510 0.040 0.000 2.047 55 c HN 0.594 nan 8.230 nan 0.000 0.458 56 A N -0.916 121.824 122.820 -0.134 0.000 1.908 56 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 56 A C 2.204 179.742 177.584 -0.076 0.000 1.181 56 A CA 2.030 54.006 52.037 -0.101 0.000 0.627 56 A CB -1.021 17.901 19.000 -0.130 0.000 0.818 56 A HN 0.828 nan 8.150 nan 0.000 0.445 57 Q N -0.754 118.992 119.800 -0.091 0.000 2.234 57 Q HA -0.137 4.203 4.340 -0.001 0.000 0.206 57 Q C 1.842 177.811 176.000 -0.052 0.000 0.980 57 Q CA 1.306 57.065 55.803 -0.073 0.000 0.869 57 Q CB -0.018 28.669 28.738 -0.085 0.000 0.912 57 Q HN 0.670 nan 8.270 nan 0.000 0.436 58 R N -1.513 118.956 120.500 -0.051 0.000 2.334 58 R HA 0.107 4.447 4.340 -0.001 0.000 0.216 58 R C 0.748 177.114 176.300 0.111 0.000 0.905 58 R CA 0.501 56.602 56.100 0.001 0.000 1.064 58 R CB 0.624 30.874 30.300 -0.085 0.000 1.046 58 R HN 0.336 nan 8.270 nan 0.000 0.508 59 G N 1.217 110.042 108.800 0.043 0.000 2.246 59 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.273 59 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.273 59 G C 0.085 175.043 174.900 0.096 0.000 1.055 59 G CA 0.092 45.225 45.100 0.056 0.000 0.851 59 G HN 0.329 nan 8.290 nan 0.000 0.500 60 c N -1.279 117.333 118.600 0.020 0.000 2.451 60 c HA 0.800 5.370 4.570 -0.001 0.000 0.391 60 c C 1.314 175.333 174.090 -0.118 0.000 1.286 60 c CA -0.327 55.969 56.329 -0.056 0.000 1.935 60 c CB 1.607 43.999 42.510 -0.197 0.000 2.188 60 c HN 0.893 nan 8.230 nan 0.000 0.523 61 c N 2.554 120.973 118.600 -0.301 0.000 2.347 61 c HA 0.522 5.092 4.570 -0.001 0.000 0.353 61 c C -0.293 173.573 174.090 -0.373 0.000 1.273 61 c CA -0.462 55.619 56.329 -0.412 0.000 1.861 61 c CB -0.920 41.137 42.510 -0.754 0.000 2.420 61 c HN 0.880 nan 8.230 nan 0.000 0.542 62 W N 8.136 129.263 121.300 -0.289 0.000 2.291 62 W HA 0.533 5.193 4.660 -0.001 0.000 0.312 62 W C -0.312 176.162 176.519 -0.075 0.000 1.061 62 W CA -0.580 56.673 57.345 -0.154 0.000 1.296 62 W CB 0.540 29.943 29.460 -0.095 0.000 1.223 62 W HN 0.786 nan 8.180 nan 0.000 0.421 63 R N 7.018 127.163 120.500 -0.593 0.000 3.107 63 R HA 0.230 4.570 4.340 -0.001 0.000 0.251 63 R C -2.662 173.370 176.300 -0.448 0.000 1.818 63 R CA -1.168 54.706 56.100 -0.377 0.000 1.228 63 R CB 1.484 31.797 30.300 0.022 0.000 1.459 63 R HN 0.181 nan 8.270 nan 0.000 0.520 64 P HA 0.101 nan 4.420 nan 0.000 0.273 64 P C -1.067 175.830 177.300 -0.672 0.000 1.250 64 P CA -0.295 62.092 63.100 -1.188 0.000 0.793 64 P CB 0.643 31.548 31.700 -1.324 0.000 1.011 65 W N 0.819 121.439 121.300 -1.134 0.000 3.031 65 W HA 0.175 4.834 4.660 -0.001 0.000 0.337 65 W C 0.880 177.273 176.519 -0.209 0.000 1.187 65 W CA -0.559 56.541 57.345 -0.408 0.000 1.166 65 W CB 1.781 31.174 29.460 -0.111 0.000 1.437 65 W HN 0.336 nan 8.180 nan 0.000 0.551 66 N N 1.077 119.239 118.700 -0.897 0.000 2.202 66 N HA -0.257 4.483 4.740 -0.001 0.000 0.197 66 N C 0.075 175.536 175.510 -0.081 0.000 0.995 66 N CA 2.321 55.016 53.050 -0.592 0.000 0.894 66 N CB -0.003 37.953 38.487 -0.884 0.000 1.010 66 N HN 0.486 nan 8.380 nan 0.000 0.453 67 D N -2.795 117.754 120.400 0.249 0.000 2.744 67 D HA 0.181 4.821 4.640 -0.001 0.000 0.304 67 D C -0.140 176.399 176.300 0.398 0.000 1.179 67 D CA -0.525 53.645 54.000 0.284 0.000 1.024 67 D CB 0.349 41.264 40.800 0.191 0.000 1.453 67 D HN -0.080 nan 8.370 nan 0.000 0.529 68 S N -1.222 114.576 115.700 0.162 0.000 2.602 68 S HA 0.219 4.689 4.470 -0.001 0.000 0.240 68 S C 1.353 175.817 174.600 -0.226 0.000 0.992 68 S CA -0.525 57.637 58.200 -0.062 0.000 0.971 68 S CB -0.487 62.662 63.200 -0.085 0.000 0.855 68 S HN 0.455 nan 8.310 nan 0.000 0.481 69 L N 0.285 121.359 121.223 -0.248 0.000 2.102 69 L HA 0.302 4.642 4.340 -0.001 0.000 0.202 69 L C 0.441 176.664 176.870 -1.078 0.000 1.076 69 L CA 0.571 55.078 54.840 -0.554 0.000 0.761 69 L CB -0.367 41.367 42.059 -0.543 0.000 0.921 69 L HN 0.310 nan 8.230 nan 0.000 0.444 70 I N 0.945 120.966 120.570 -0.916 0.000 2.618 70 I HA 0.048 4.218 4.170 -0.001 0.000 0.284 70 I C -2.028 173.778 176.117 -0.517 0.000 1.146 70 I CA -1.489 59.236 61.300 -0.959 0.000 1.425 70 I CB 0.037 37.540 38.000 -0.829 0.000 1.383 70 I HN -0.166 nan 8.210 nan 0.000 0.562 71 P HA -0.058 nan 4.420 nan 0.000 0.268 71 P C -0.341 176.995 177.300 0.062 0.000 1.204 71 P CA 0.002 62.974 63.100 -0.213 0.000 0.768 71 P CB 0.289 31.921 31.700 -0.113 0.000 0.842 72 W N 1.392 122.572 121.300 -0.201 0.000 2.812 72 W HA 0.197 4.857 4.660 -0.000 0.000 0.263 72 W C 0.449 176.811 176.519 -0.262 0.000 1.284 72 W CA -0.146 57.007 57.345 -0.320 0.000 1.430 72 W CB -0.609 28.497 29.460 -0.589 0.000 1.088 72 W HN 0.247 nan 8.180 nan 0.000 0.623 73 c N 2.693 121.389 118.600 0.159 0.000 2.322 73 c HA 0.693 5.263 4.570 -0.001 0.000 0.324 73 c C -0.574 173.545 174.090 0.048 0.000 1.249 73 c CA -0.957 55.436 56.329 0.106 0.000 1.453 73 c CB -1.500 41.128 42.510 0.196 0.000 2.145 73 c HN 0.091 nan 8.230 nan 0.000 0.466 74 F N 3.192 123.060 119.950 -0.138 0.000 2.588 74 F HA 0.781 5.308 4.527 -0.001 0.000 0.310 74 F C -0.861 174.847 175.800 -0.154 0.000 1.082 74 F CA -1.531 56.351 58.000 -0.196 0.000 0.929 74 F CB 0.539 39.501 39.000 -0.063 0.000 1.254 74 F HN 0.449 nan 8.300 nan 0.000 0.455 75 F N 1.651 121.678 119.950 0.127 0.000 2.504 75 F HA 0.421 4.947 4.527 -0.001 0.000 0.369 75 F C 0.816 176.725 175.800 0.182 0.000 1.082 75 F CA -0.682 57.374 58.000 0.093 0.000 1.216 75 F CB 0.243 39.293 39.000 0.083 0.000 1.108 75 F HN 0.375 nan 8.300 nan 0.000 0.554 76 V N 1.439 121.531 119.914 0.296 0.000 2.388 76 V HA 0.012 4.132 4.120 -0.001 0.000 0.217 76 V C 1.263 177.493 176.094 0.225 0.000 1.085 76 V CA 1.548 64.014 62.300 0.277 0.000 1.092 76 V CB -0.568 31.359 31.823 0.173 0.000 0.695 76 V HN 0.837 nan 8.190 nan 0.000 0.482 77 D N -0.313 120.184 120.400 0.161 0.000 2.963 77 D HA 0.301 4.941 4.640 -0.001 0.000 0.361 77 D C 0.497 176.869 176.300 0.119 0.000 1.317 77 D CA -0.129 53.944 54.000 0.121 0.000 0.832 77 D CB -0.667 40.177 40.800 0.073 0.000 1.135 77 D HN 0.478 nan 8.370 nan 0.000 0.476 78 N N -0.765 118.052 118.700 0.195 0.000 2.348 78 N HA 0.067 4.807 4.740 -0.001 0.000 0.183 78 N C -0.386 175.188 175.510 0.108 0.000 1.094 78 N CA 0.221 53.366 53.050 0.158 0.000 0.885 78 N CB 0.756 39.363 38.487 0.201 0.000 1.065 78 N HN 0.459 nan 8.380 nan 0.000 0.472 79 H N -0.581 118.544 119.070 0.092 0.000 2.670 79 H HA 0.731 5.287 4.556 -0.001 0.000 0.361 79 H C 0.620 175.950 175.328 0.003 0.000 1.169 79 H CA 0.133 56.205 56.048 0.040 0.000 1.198 79 H CB 2.102 31.889 29.762 0.042 0.000 1.700 79 H HN 0.192 nan 8.280 nan 0.000 0.542 80 G N -0.286 108.589 108.800 0.124 0.000 2.352 80 G HA2 0.161 4.121 3.960 -0.001 0.000 0.283 80 G HA3 0.161 4.121 3.960 -0.001 0.000 0.283 80 G C -2.214 172.771 174.900 0.143 0.000 1.308 80 G CA -0.870 44.347 45.100 0.195 0.000 0.892 80 G HN 0.367 nan 8.290 nan 0.000 0.504 81 Y N 0.204 120.553 120.300 0.080 0.000 2.545 81 Y HA 0.679 5.228 4.550 -0.000 0.000 0.348 81 Y C 0.185 176.126 175.900 0.069 0.000 1.002 81 Y CA -1.130 56.999 58.100 0.047 0.000 1.039 81 Y CB 2.408 40.862 38.460 -0.009 0.000 1.271 81 Y HN 0.502 nan 8.280 nan 0.000 0.467 82 N N 0.440 119.232 118.700 0.153 0.000 2.370 82 N HA 0.425 5.164 4.740 -0.001 0.000 0.303 82 N C -1.294 174.270 175.510 0.090 0.000 1.103 82 N CA -0.658 52.460 53.050 0.113 0.000 0.848 82 N CB 2.602 41.118 38.487 0.048 0.000 1.235 82 N HN 0.469 nan 8.380 nan 0.000 0.496 83 V N 1.361 121.326 119.914 0.086 0.000 2.530 83 V HA 0.387 4.507 4.120 -0.001 0.000 0.282 83 V C -0.718 175.398 176.094 0.037 0.000 1.048 83 V CA -0.121 62.208 62.300 0.049 0.000 0.997 83 V CB 0.480 32.345 31.823 0.070 0.000 0.987 83 V HN 0.744 nan 8.190 nan 0.000 0.477 84 Q N 3.227 123.042 119.800 0.025 0.000 2.303 84 Q HA 0.666 5.005 4.340 -0.001 0.000 0.267 84 Q C -0.401 175.611 176.000 0.020 0.000 1.011 84 Q CA 0.290 56.105 55.803 0.020 0.000 0.740 84 Q CB 1.039 29.785 28.738 0.014 0.000 1.250 84 Q HN 1.811 nan 8.270 nan 0.000 0.458 85 D N 2.050 122.463 120.400 0.023 0.000 7.496 85 D HA 0.099 4.739 4.640 -0.001 0.000 0.252 85 D C -0.484 175.838 176.300 0.036 0.000 2.088 85 D CA 0.821 54.836 54.000 0.025 0.000 1.915 85 D CB -1.608 39.203 40.800 0.018 0.000 0.793 85 D HN 1.221 nan 8.370 nan 0.000 0.499 86 M N 0.387 120.013 119.600 0.045 0.000 2.446 86 M HA 0.842 5.321 4.480 -0.001 0.000 0.294 86 M C 0.029 176.362 176.300 0.054 0.000 1.158 86 M CA 0.061 55.399 55.300 0.063 0.000 0.899 86 M CB 2.519 35.175 32.600 0.094 0.000 1.687 86 M HN 1.163 nan 8.290 nan 0.000 0.455 87 T N -0.944 113.643 114.554 0.054 0.000 2.910 87 T HA 0.766 5.116 4.350 -0.001 0.000 0.287 87 T C -0.407 174.323 174.700 0.050 0.000 1.050 87 T CA -0.661 61.465 62.100 0.043 0.000 1.011 87 T CB 1.865 70.750 68.868 0.029 0.000 1.195 87 T HN 0.731 nan 8.240 nan 0.000 0.540 88 T N 2.100 116.679 114.554 0.042 0.000 2.824 88 T HA 0.656 5.005 4.350 -0.001 0.000 0.280 88 T C 0.468 175.188 174.700 0.035 0.000 0.995 88 T CA -0.626 61.500 62.100 0.045 0.000 1.009 88 T CB 1.274 70.167 68.868 0.042 0.000 0.955 88 T HN 1.026 nan 8.240 nan 0.000 0.452 89 T N -1.388 113.189 114.554 0.038 0.000 2.919 89 T HA 0.412 4.761 4.350 -0.001 0.000 0.282 89 T C 1.718 176.442 174.700 0.039 0.000 1.020 89 T CA -0.240 61.877 62.100 0.029 0.000 0.994 89 T CB 0.992 69.873 68.868 0.021 0.000 1.180 89 T HN 0.409 nan 8.240 nan 0.000 0.566 90 S N 0.261 115.981 115.700 0.032 0.000 2.399 90 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 90 S C 1.780 176.422 174.600 0.071 0.000 1.022 90 S CA 1.147 59.370 58.200 0.038 0.000 0.983 90 S CB -0.886 62.324 63.200 0.017 0.000 0.803 90 S HN 0.645 nan 8.310 nan 0.000 0.480 91 I N 1.028 121.651 120.570 0.089 0.000 2.867 91 I HA 0.401 4.571 4.170 -0.001 0.000 0.265 91 I C 1.680 177.891 176.117 0.157 0.000 1.162 91 I CA 0.771 62.168 61.300 0.162 0.000 1.471 91 I CB -0.260 37.861 38.000 0.201 0.000 1.123 91 I HN 0.521 nan 8.210 nan 0.000 0.440 92 G N -0.446 108.421 108.800 0.112 0.000 3.074 92 G HA2 0.499 4.459 3.960 -0.001 0.000 0.127 92 G HA3 0.499 4.459 3.960 -0.001 0.000 0.127 92 G C -1.360 173.594 174.900 0.090 0.000 1.216 92 G CA -0.113 45.060 45.100 0.122 0.000 1.390 92 G HN -0.194 nan 8.290 nan 0.000 0.676 93 V N 0.937 120.894 119.914 0.071 0.000 2.733 93 V HA 0.748 4.868 4.120 -0.001 0.000 0.306 93 V C -0.310 175.796 176.094 0.020 0.000 1.084 93 V CA -0.013 62.334 62.300 0.079 0.000 0.905 93 V CB 1.009 32.928 31.823 0.161 0.000 1.010 93 V HN 1.242 nan 8.190 nan 0.000 0.424 94 E N 1.973 122.194 120.200 0.035 0.000 2.202 94 E HA 0.908 5.257 4.350 -0.001 0.000 0.272 94 E C -0.319 176.338 176.600 0.095 0.000 0.951 94 E CA -0.352 56.059 56.400 0.019 0.000 0.813 94 E CB 2.121 31.820 29.700 -0.003 0.000 1.151 94 E HN 1.712 nan 8.360 nan 0.000 0.398 95 A N 0.599 123.496 122.820 0.127 0.000 2.459 95 A HA 0.780 5.100 4.320 -0.001 0.000 0.296 95 A C -0.111 177.504 177.584 0.052 0.000 1.039 95 A CA -0.118 51.998 52.037 0.131 0.000 0.698 95 A CB 0.946 20.087 19.000 0.233 0.000 1.261 95 A HN 1.251 nan 8.150 nan 0.000 0.405 96 K N 2.076 122.487 120.400 0.018 0.000 2.234 96 K HA 0.729 5.049 4.320 -0.001 0.000 0.282 96 K C -0.740 175.845 176.600 -0.025 0.000 1.039 96 K CA -0.125 56.156 56.287 -0.011 0.000 0.928 96 K CB 0.311 32.811 32.500 -0.001 0.000 1.039 96 K HN 0.738 nan 8.250 nan 0.000 0.470 97 L N 2.170 123.365 121.223 -0.046 0.000 2.346 97 L HA 0.492 4.831 4.340 -0.001 0.000 0.274 97 L C -0.113 176.830 176.870 0.121 0.000 1.007 97 L CA -1.002 53.831 54.840 -0.012 0.000 0.818 97 L CB 2.359 44.312 42.059 -0.178 0.000 1.284 97 L HN 0.847 nan 8.230 nan 0.000 0.424 98 N N 1.087 119.869 118.700 0.137 0.000 2.314 98 N HA 0.383 5.123 4.740 -0.001 0.000 0.294 98 N C -0.974 174.443 175.510 -0.156 0.000 1.029 98 N CA -0.936 52.144 53.050 0.049 0.000 0.845 98 N CB 2.270 40.755 38.487 -0.004 0.000 1.321 98 N HN 0.451 nan 8.380 nan 0.000 0.481 99 R N 2.744 122.984 120.500 -0.433 0.000 2.421 99 R HA 0.160 4.499 4.340 -0.001 0.000 0.305 99 R C -0.323 175.738 176.300 -0.399 0.000 1.039 99 R CA -0.125 55.463 56.100 -0.853 0.000 1.003 99 R CB 0.114 30.003 30.300 -0.685 0.000 0.959 99 R HN 0.526 nan 8.270 nan 0.000 0.427 100 I N 8.164 128.528 120.570 -0.342 0.000 2.668 100 I HA 0.017 4.187 4.170 -0.001 0.000 0.285 100 I C -1.464 174.532 176.117 -0.202 0.000 1.168 100 I CA -1.508 59.679 61.300 -0.189 0.000 1.424 100 I CB 0.843 38.767 38.000 -0.127 0.000 1.377 100 I HN 0.536 nan 8.210 nan 0.000 0.560 101 P HA 0.067 nan 4.420 nan 0.000 0.220 101 P C -0.134 177.077 177.300 -0.148 0.000 1.778 101 P CA -0.342 62.676 63.100 -0.137 0.000 0.912 101 P CB -0.438 31.206 31.700 -0.094 0.000 1.861 102 S N 0.575 116.137 115.700 -0.230 0.000 2.617 102 S HA 0.439 4.908 4.470 -0.001 0.000 0.259 102 S C -2.056 172.429 174.600 -0.191 0.000 1.301 102 S CA -0.991 57.024 58.200 -0.308 0.000 0.984 102 S CB -1.024 61.718 63.200 -0.762 0.000 0.954 102 S HN 0.072 nan 8.310 nan 0.000 0.572 103 P HA 0.285 nan 4.420 nan 0.000 0.274 103 P C -0.025 177.316 177.300 0.068 0.000 1.246 103 P CA -0.425 62.665 63.100 -0.016 0.000 0.795 103 P CB 0.095 31.798 31.700 0.005 0.000 1.006 104 T N 0.234 114.819 114.554 0.052 0.000 2.860 104 T HA 0.159 4.509 4.350 -0.001 0.000 0.299 104 T C 1.093 175.805 174.700 0.020 0.000 1.045 104 T CA -0.131 62.012 62.100 0.072 0.000 1.071 104 T CB -0.002 68.894 68.868 0.047 0.000 0.985 104 T HN 0.114 nan 8.240 nan 0.000 0.537 105 L N 2.145 123.353 121.223 -0.025 0.000 2.194 105 L HA 0.408 4.748 4.340 -0.001 0.000 0.197 105 L C 1.074 177.550 176.870 -0.658 0.000 1.106 105 L CA 1.356 55.974 54.840 -0.371 0.000 0.785 105 L CB -0.105 41.742 42.059 -0.353 0.000 0.960 105 L HN 0.723 nan 8.230 nan 0.000 0.465 106 F N -0.304 119.627 119.950 -0.032 0.000 2.735 106 F HA 0.544 5.071 4.527 -0.000 0.000 0.304 106 F C 0.926 176.761 175.800 0.058 0.000 1.119 106 F CA -0.040 57.962 58.000 0.003 0.000 1.280 106 F CB -0.065 38.933 39.000 -0.004 0.000 0.994 106 F HN 0.123 nan 8.300 nan 0.000 0.520 107 G N 0.794 109.686 108.800 0.155 0.000 2.814 107 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.677 107 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.677 107 G C -0.054 174.942 174.900 0.160 0.000 1.429 107 G CA -0.484 44.696 45.100 0.132 0.000 0.868 107 G HN 0.531 nan 8.290 nan 0.000 0.553 108 N N -1.256 117.520 118.700 0.126 0.000 2.714 108 N HA -0.022 4.718 4.740 -0.001 0.000 0.253 108 N C 0.522 176.130 175.510 0.164 0.000 1.024 108 N CA 2.115 55.242 53.050 0.129 0.000 0.726 108 N CB -1.346 37.214 38.487 0.121 0.000 0.908 108 N HN 1.492 nan 8.380 nan 0.000 0.542 109 D N 0.218 120.717 120.400 0.166 0.000 2.361 109 D HA 0.538 5.178 4.640 -0.001 0.000 0.239 109 D C 0.455 176.880 176.300 0.208 0.000 1.200 109 D CA 0.245 54.371 54.000 0.210 0.000 0.915 109 D CB 0.604 41.514 40.800 0.183 0.000 1.170 109 D HN 0.328 nan 8.370 nan 0.000 0.444 110 I N 1.542 122.283 120.570 0.286 0.000 2.382 110 I HA 0.192 4.361 4.170 -0.001 0.000 0.285 110 I C 0.983 177.255 176.117 0.259 0.000 1.007 110 I CA -0.625 60.828 61.300 0.256 0.000 1.142 110 I CB 1.600 39.786 38.000 0.310 0.000 1.289 110 I HN 0.472 nan 8.210 nan 0.000 0.453 111 N N 2.565 121.354 118.700 0.148 0.000 2.270 111 N HA -0.063 4.676 4.740 -0.001 0.000 0.181 111 N C 0.520 176.100 175.510 0.116 0.000 1.016 111 N CA 0.775 53.875 53.050 0.084 0.000 0.870 111 N CB 0.329 38.833 38.487 0.028 0.000 0.979 111 N HN 0.397 nan 8.380 nan 0.000 0.431 112 S N 0.894 116.659 115.700 0.109 0.000 2.566 112 S HA 0.488 4.957 4.470 -0.001 0.000 0.324 112 S C -0.698 173.917 174.600 0.025 0.000 1.081 112 S CA -0.505 57.736 58.200 0.068 0.000 1.105 112 S CB 0.789 64.010 63.200 0.035 0.000 0.981 112 S HN -0.170 nan 8.310 nan 0.000 0.464 113 V N 4.946 124.850 119.914 -0.017 0.000 2.876 113 V HA 0.636 4.756 4.120 -0.001 0.000 0.312 113 V C -0.913 175.071 176.094 -0.184 0.000 1.085 113 V CA -0.916 61.269 62.300 -0.191 0.000 0.945 113 V CB 2.053 33.622 31.823 -0.423 0.000 1.017 113 V HN 0.738 nan 8.190 nan 0.000 0.428 114 L N 3.909 125.012 121.223 -0.200 0.000 2.325 114 L HA 0.671 5.011 4.340 -0.001 0.000 0.281 114 L C -1.128 175.686 176.870 -0.093 0.000 1.004 114 L CA -0.110 54.659 54.840 -0.119 0.000 0.823 114 L CB 1.244 43.252 42.059 -0.084 0.000 1.236 114 L HN 0.571 nan 8.230 nan 0.000 0.415 115 F N 4.298 124.119 119.950 -0.216 0.000 2.408 115 F HA 0.750 5.276 4.527 -0.000 0.000 0.344 115 F C -0.458 175.310 175.800 -0.054 0.000 1.112 115 F CA 0.031 57.934 58.000 -0.163 0.000 1.096 115 F CB 1.360 40.189 39.000 -0.284 0.000 1.129 115 F HN 0.580 nan 8.300 nan 0.000 0.486 116 T N 4.239 118.356 114.554 -0.728 0.000 2.881 116 T HA 0.402 4.752 4.350 -0.001 0.000 0.290 116 T C -0.702 173.598 174.700 -0.666 0.000 1.000 116 T CA -0.623 61.150 62.100 -0.546 0.000 0.978 116 T CB 1.635 70.341 68.868 -0.270 0.000 0.997 116 T HN 0.575 nan 8.240 nan 0.000 0.443 117 T N 3.457 117.752 114.554 -0.432 0.000 2.856 117 T HA 0.532 4.882 4.350 -0.001 0.000 0.283 117 T C -0.794 173.833 174.700 -0.121 0.000 1.008 117 T CA -0.678 61.282 62.100 -0.233 0.000 0.997 117 T CB 1.247 70.155 68.868 0.066 0.000 0.992 117 T HN 0.490 nan 8.240 nan 0.000 0.454 118 Q N 2.600 122.282 119.800 -0.197 0.000 2.275 118 Q HA 0.327 4.667 4.340 -0.001 0.000 0.266 118 Q C -0.888 175.076 176.000 -0.060 0.000 1.002 118 Q CA -0.845 54.905 55.803 -0.089 0.000 0.761 118 Q CB 1.427 30.076 28.738 -0.148 0.000 1.255 118 Q HN 0.456 nan 8.270 nan 0.000 0.446 119 N N 3.200 121.988 118.700 0.148 0.000 2.663 119 N HA 0.030 4.770 4.740 -0.001 0.000 0.250 119 N C 0.367 175.900 175.510 0.037 0.000 1.129 119 N CA 0.269 53.482 53.050 0.272 0.000 0.995 119 N CB 0.855 39.555 38.487 0.354 0.000 1.324 119 N HN 0.602 nan 8.380 nan 0.000 0.512 120 Q N -0.038 119.622 119.800 -0.234 0.000 2.049 120 Q HA -0.046 4.294 4.340 -0.001 0.000 0.198 120 Q C 0.838 176.675 176.000 -0.271 0.000 0.971 120 Q CA 1.023 56.377 55.803 -0.748 0.000 0.833 120 Q CB 0.233 28.495 28.738 -0.793 0.000 0.896 120 Q HN 0.617 nan 8.270 nan 0.000 0.434 121 T N -3.759 110.786 114.554 -0.015 0.000 2.812 121 T HA 0.286 4.636 4.350 -0.001 0.000 0.294 121 T C -2.563 172.236 174.700 0.164 0.000 1.159 121 T CA -1.904 60.238 62.100 0.070 0.000 1.008 121 T CB 1.626 70.518 68.868 0.040 0.000 1.289 121 T HN -0.271 nan 8.240 nan 0.000 0.514 122 P HA 0.132 nan 4.420 nan 0.000 0.231 122 P C 0.763 178.156 177.300 0.154 0.000 1.158 122 P CA 0.700 63.827 63.100 0.043 0.000 0.763 122 P CB 0.064 31.767 31.700 0.005 0.000 0.805 123 N N -0.978 117.857 118.700 0.225 0.000 2.317 123 N HA 0.073 4.813 4.740 -0.001 0.000 0.199 123 N C 0.493 176.147 175.510 0.240 0.000 1.145 123 N CA 0.078 53.263 53.050 0.224 0.000 0.882 123 N CB 0.886 39.441 38.487 0.113 0.000 1.113 123 N HN 0.224 nan 8.380 nan 0.000 0.486 124 R N 0.069 120.694 120.500 0.208 0.000 2.513 124 R HA 0.366 4.706 4.340 -0.001 0.000 0.301 124 R C -1.395 174.873 176.300 -0.055 0.000 0.968 124 R CA -0.640 55.500 56.100 0.068 0.000 0.872 124 R CB 0.895 31.223 30.300 0.047 0.000 1.177 124 R HN -0.207 nan 8.270 nan 0.000 0.444 125 F N 2.917 122.562 119.950 -0.508 0.000 2.432 125 F HA 0.590 5.117 4.527 -0.001 0.000 0.329 125 F C -0.628 174.983 175.800 -0.316 0.000 1.076 125 F CA -1.074 56.560 58.000 -0.609 0.000 1.018 125 F CB 1.566 39.929 39.000 -1.062 0.000 1.201 125 F HN 0.619 nan 8.300 nan 0.000 0.489 126 R N 6.233 125.913 120.500 -1.367 0.000 2.574 126 R HA 0.445 4.785 4.340 -0.001 0.000 0.288 126 R C -2.129 173.406 176.300 -1.275 0.000 1.004 126 R CA -0.563 54.791 56.100 -1.244 0.000 0.895 126 R CB 1.470 31.163 30.300 -1.010 0.000 1.191 126 R HN 0.741 nan 8.270 nan 0.000 0.444 127 F N 2.005 121.355 119.950 -1.000 0.000 2.577 127 F HA 0.688 5.215 4.527 -0.000 0.000 0.318 127 F C -1.398 174.178 175.800 -0.373 0.000 1.065 127 F CA -0.897 56.730 58.000 -0.622 0.000 0.929 127 F CB 1.539 40.395 39.000 -0.240 0.000 1.237 127 F HN 0.481 nan 8.300 nan 0.000 0.468 128 K N 2.787 123.073 120.400 -0.189 0.000 2.532 128 K HA 0.759 5.079 4.320 -0.001 0.000 0.265 128 K C -2.106 174.510 176.600 0.026 0.000 0.948 128 K CA -0.855 55.352 56.287 -0.134 0.000 0.842 128 K CB 2.725 35.078 32.500 -0.245 0.000 1.392 128 K HN 0.853 nan 8.250 nan 0.000 0.436 129 I N 2.454 123.083 120.570 0.098 0.000 2.410 129 I HA 0.294 4.464 4.170 -0.001 0.000 0.286 129 I C -0.540 175.530 176.117 -0.079 0.000 1.009 129 I CA -0.488 60.830 61.300 0.029 0.000 1.111 129 I CB 2.176 40.235 38.000 0.099 0.000 1.262 129 I HN 0.920 nan 8.210 nan 0.000 0.443 130 T N 0.220 114.661 114.554 -0.188 0.000 2.907 130 T HA 0.408 4.757 4.350 -0.001 0.000 0.290 130 T C -0.838 173.738 174.700 -0.207 0.000 1.066 130 T CA -0.859 61.169 62.100 -0.118 0.000 1.012 130 T CB 2.314 71.153 68.868 -0.047 0.000 1.184 130 T HN 0.302 nan 8.240 nan 0.000 0.522 131 D N 1.313 121.686 120.400 -0.044 0.000 2.347 131 D HA 0.392 5.032 4.640 -0.001 0.000 0.235 131 D C -1.571 174.725 176.300 -0.007 0.000 1.149 131 D CA -2.385 51.609 54.000 -0.011 0.000 0.850 131 D CB 1.604 42.469 40.800 0.109 0.000 1.061 131 D HN 0.175 nan 8.370 nan 0.000 0.487 132 P HA -0.010 nan 4.420 nan 0.000 0.219 132 P C 0.346 177.649 177.300 0.005 0.000 1.150 132 P CA 0.655 63.746 63.100 -0.015 0.000 0.814 132 P CB 0.326 32.014 31.700 -0.021 0.000 0.787 133 N N -0.083 118.627 118.700 0.016 0.000 2.322 133 N HA 0.076 4.816 4.740 -0.001 0.000 0.216 133 N C -0.182 175.349 175.510 0.035 0.000 1.144 133 N CA 0.246 53.311 53.050 0.024 0.000 0.830 133 N CB -0.340 38.164 38.487 0.027 0.000 1.034 133 N HN 0.179 nan 8.380 nan 0.000 0.484 134 N N -0.322 118.401 118.700 0.039 0.000 3.126 134 N HA 0.088 4.828 4.740 -0.001 0.000 0.233 134 N C -1.042 174.500 175.510 0.053 0.000 1.069 134 N CA -0.357 52.723 53.050 0.050 0.000 1.071 134 N CB 0.673 39.201 38.487 0.067 0.000 1.683 134 N HN 0.066 nan 8.380 nan 0.000 0.586 135 R N 2.852 123.381 120.500 0.049 0.000 2.309 135 R HA 0.470 4.809 4.340 -0.001 0.000 0.331 135 R C 0.277 176.622 176.300 0.075 0.000 1.116 135 R CA -0.102 56.027 56.100 0.048 0.000 0.970 135 R CB -0.737 29.584 30.300 0.036 0.000 1.024 135 R HN 0.634 nan 8.270 nan 0.000 0.472 136 R N 1.162 121.716 120.500 0.089 0.000 2.577 136 R HA 0.218 4.558 4.340 -0.001 0.000 0.269 136 R C -0.198 176.182 176.300 0.133 0.000 1.084 136 R CA -0.646 55.531 56.100 0.129 0.000 1.163 136 R CB 0.540 30.932 30.300 0.154 0.000 1.100 136 R HN 0.727 nan 8.270 nan 0.000 0.547 137 Y N 1.430 121.764 120.300 0.056 0.000 2.620 137 Y HA -0.060 4.490 4.550 -0.001 0.000 0.330 137 Y C -0.475 175.436 175.900 0.018 0.000 1.186 137 Y CA 0.612 58.737 58.100 0.042 0.000 1.467 137 Y CB 0.489 38.987 38.460 0.064 0.000 1.262 137 Y HN 0.412 nan 8.280 nan 0.000 0.550 138 E N 5.054 124.837 120.200 -0.694 0.000 2.234 138 E HA 0.293 4.643 4.350 -0.001 0.000 0.266 138 E C -1.113 174.891 176.600 -0.992 0.000 0.877 138 E CA -1.186 54.810 56.400 -0.673 0.000 0.758 138 E CB 2.224 31.738 29.700 -0.310 0.000 1.170 138 E HN 0.480 nan 8.360 nan 0.000 0.415 139 V N 4.733 124.165 119.914 -0.804 0.000 2.555 139 V HA -0.031 4.088 4.120 -0.001 0.000 0.299 139 V C -1.647 174.233 176.094 -0.356 0.000 1.012 139 V CA -0.336 61.658 62.300 -0.509 0.000 1.180 139 V CB -0.444 31.285 31.823 -0.156 0.000 0.887 139 V HN 0.590 nan 8.190 nan 0.000 0.476 140 P HA 0.122 nan 4.420 nan 0.000 0.225 140 P C 0.178 177.195 177.300 -0.471 0.000 1.813 140 P CA -0.282 62.525 63.100 -0.488 0.000 1.013 140 P CB -0.090 31.142 31.700 -0.781 0.000 1.961 141 H N 2.197 121.121 119.070 -0.244 0.000 2.929 141 H HA 0.018 4.573 4.556 -0.001 0.000 0.358 141 H C 0.886 176.224 175.328 0.017 0.000 1.111 141 H CA 0.801 56.821 56.048 -0.047 0.000 1.409 141 H CB 1.023 30.809 29.762 0.040 0.000 1.373 141 H HN 0.204 nan 8.280 nan 0.000 0.610 142 Q N 3.296 123.175 119.800 0.131 0.000 2.282 142 Q HA -0.045 4.294 4.340 -0.001 0.000 0.206 142 Q C 0.615 176.816 176.000 0.335 0.000 0.878 142 Q CA 0.413 56.333 55.803 0.194 0.000 0.944 142 Q CB 0.402 29.226 28.738 0.143 0.000 1.100 142 Q HN 0.708 nan 8.270 nan 0.000 0.509 143 Y N -0.717 119.851 120.300 0.446 0.000 2.769 143 Y HA 0.166 4.715 4.550 -0.001 0.000 0.266 143 Y C 0.519 176.477 175.900 0.097 0.000 1.091 143 Y CA -0.095 58.150 58.100 0.242 0.000 1.272 143 Y CB 0.652 39.243 38.460 0.220 0.000 1.469 143 Y HN -0.330 nan 8.280 nan 0.000 0.475 144 V N 4.308 124.362 119.914 0.233 0.000 2.536 144 V HA 0.039 4.159 4.120 -0.001 0.000 0.287 144 V C 0.395 176.466 176.094 -0.038 0.000 0.979 144 V CA 1.067 63.345 62.300 -0.036 0.000 1.161 144 V CB -1.280 30.399 31.823 -0.240 0.000 0.915 144 V HN 0.327 nan 8.190 nan 0.000 0.467 145 K N 4.732 125.078 120.400 -0.090 0.000 2.144 145 K HA 0.367 4.686 4.320 -0.001 0.000 0.270 145 K C 0.254 176.861 176.600 0.011 0.000 1.005 145 K CA -0.584 55.663 56.287 -0.067 0.000 0.932 145 K CB 0.444 32.877 32.500 -0.110 0.000 1.021 145 K HN 0.795 nan 8.250 nan 0.000 0.462 146 E N 0.207 120.412 120.200 0.009 0.000 2.392 146 E HA 0.224 4.574 4.350 -0.001 0.000 0.264 146 E C -0.894 175.762 176.600 0.093 0.000 1.024 146 E CA 0.010 56.434 56.400 0.040 0.000 0.903 146 E CB 0.428 30.125 29.700 -0.004 0.000 0.963 146 E HN 0.503 nan 8.360 nan 0.000 0.432 147 F N 1.631 121.559 119.950 -0.038 0.000 2.469 147 F HA 0.227 4.753 4.527 -0.001 0.000 0.332 147 F C 0.733 176.512 175.800 -0.034 0.000 1.103 147 F CA -0.211 57.771 58.000 -0.030 0.000 0.979 147 F CB 1.415 40.404 39.000 -0.017 0.000 1.137 147 F HN 0.389 nan 8.300 nan 0.000 0.463 148 T N 0.599 114.711 114.554 -0.736 0.000 3.029 148 T HA 0.618 4.967 4.350 -0.001 0.000 0.256 148 T C 0.379 174.687 174.700 -0.654 0.000 0.914 148 T CA 0.144 61.941 62.100 -0.504 0.000 0.880 148 T CB 0.183 68.891 68.868 -0.266 0.000 1.246 148 T HN 1.010 nan 8.240 nan 0.000 0.523 149 G N 1.864 110.010 108.800 -1.091 0.000 2.320 149 G HA2 0.531 4.491 3.960 -0.001 0.000 0.296 149 G HA3 0.531 4.491 3.960 -0.001 0.000 0.296 149 G C -3.166 171.441 174.900 -0.488 0.000 1.306 149 G CA -0.723 43.991 45.100 -0.644 0.000 0.836 149 G HN 0.191 nan 8.290 nan 0.000 0.517 150 P HA 0.399 nan 4.420 nan 0.000 0.278 150 P C 0.244 177.589 177.300 0.075 0.000 1.266 150 P CA -0.127 62.946 63.100 -0.046 0.000 0.807 150 P CB 0.867 32.565 31.700 -0.003 0.000 1.094 151 T N -2.210 112.384 114.554 0.068 0.000 2.817 151 T HA 0.343 4.693 4.350 -0.001 0.000 0.295 151 T C 0.334 175.104 174.700 0.117 0.000 0.958 151 T CA -0.603 61.569 62.100 0.120 0.000 1.157 151 T CB -1.073 67.840 68.868 0.075 0.000 0.898 151 T HN 0.437 nan 8.240 nan 0.000 0.536 152 V N 4.500 124.504 119.914 0.151 0.000 2.461 152 V HA 0.636 4.756 4.120 -0.001 0.000 0.275 152 V C 0.642 176.767 176.094 0.051 0.000 1.047 152 V CA -0.472 61.887 62.300 0.098 0.000 0.955 152 V CB 0.754 32.641 31.823 0.105 0.000 0.988 152 V HN 1.212 nan 8.190 nan 0.000 0.471 153 S N 2.291 118.005 115.700 0.022 0.000 2.568 153 S HA 0.731 5.201 4.470 -0.001 0.000 0.302 153 S C 0.088 174.669 174.600 -0.032 0.000 1.082 153 S CA 0.631 58.827 58.200 -0.006 0.000 1.009 153 S CB 1.358 64.559 63.200 0.001 0.000 1.069 153 S HN 2.627 nan 8.310 nan 0.000 0.500 154 D N -0.704 119.660 120.400 -0.060 0.000 3.515 154 D HA 0.076 4.716 4.640 -0.001 0.000 0.247 154 D C 0.097 176.321 176.300 -0.127 0.000 1.084 154 D CA 0.731 54.684 54.000 -0.080 0.000 1.030 154 D CB -2.379 38.393 40.800 -0.047 0.000 0.946 154 D HN 1.534 nan 8.370 nan 0.000 0.420 155 T N -2.485 111.928 114.554 -0.234 0.000 2.952 155 T HA 0.738 5.088 4.350 -0.001 0.000 0.286 155 T C 1.426 175.896 174.700 -0.384 0.000 1.024 155 T CA -0.470 61.379 62.100 -0.418 0.000 1.029 155 T CB 1.700 70.027 68.868 -0.902 0.000 1.094 155 T HN 0.654 nan 8.240 nan 0.000 0.515 156 L N 0.073 121.102 121.223 -0.323 0.000 2.418 156 L HA 0.207 4.547 4.340 -0.001 0.000 0.218 156 L C 0.510 177.332 176.870 -0.080 0.000 1.125 156 L CA 0.014 54.780 54.840 -0.123 0.000 0.835 156 L CB -0.544 41.518 42.059 0.005 0.000 0.953 156 L HN 0.714 nan 8.230 nan 0.000 0.454 157 Y N -2.468 117.810 120.300 -0.038 0.000 2.565 157 Y HA 0.727 5.276 4.550 -0.001 0.000 0.325 157 Y C -0.723 175.106 175.900 -0.117 0.000 1.221 157 Y CA -1.766 56.282 58.100 -0.088 0.000 1.316 157 Y CB 0.670 39.062 38.460 -0.112 0.000 1.404 157 Y HN -0.263 nan 8.280 nan 0.000 0.527 158 D N -0.095 120.348 120.400 0.073 0.000 2.738 158 D HA 0.379 5.018 4.640 -0.001 0.000 0.218 158 D C -1.918 174.324 176.300 -0.096 0.000 1.345 158 D CA -0.331 53.649 54.000 -0.034 0.000 0.943 158 D CB 2.090 42.858 40.800 -0.052 0.000 1.514 158 D HN 0.525 nan 8.370 nan 0.000 0.585 159 V N 2.681 122.518 119.914 -0.128 0.000 2.293 159 V HA 0.645 4.765 4.120 -0.001 0.000 0.275 159 V C 0.691 176.719 176.094 -0.109 0.000 1.021 159 V CA -0.771 61.402 62.300 -0.212 0.000 0.815 159 V CB 0.615 32.226 31.823 -0.353 0.000 1.025 159 V HN 0.567 nan 8.190 nan 0.000 0.448 160 K N 3.107 123.440 120.400 -0.112 0.000 2.205 160 K HA 0.737 5.057 4.320 -0.001 0.000 0.279 160 K C -0.583 175.947 176.600 -0.117 0.000 1.027 160 K CA -0.399 55.834 56.287 -0.090 0.000 0.932 160 K CB 1.647 34.093 32.500 -0.089 0.000 1.032 160 K HN 0.507 nan 8.250 nan 0.000 0.466 161 V N 2.305 122.164 119.914 -0.091 0.000 2.340 161 V HA 0.514 4.634 4.120 -0.001 0.000 0.277 161 V C 0.518 176.535 176.094 -0.128 0.000 1.017 161 V CA -1.246 60.972 62.300 -0.137 0.000 0.820 161 V CB 0.591 32.399 31.823 -0.026 0.000 1.028 161 V HN 1.135 nan 8.190 nan 0.000 0.436 162 A N 3.828 126.529 122.820 -0.199 0.000 2.507 162 A HA 0.328 4.648 4.320 -0.001 0.000 0.235 162 A C 1.023 178.555 177.584 -0.086 0.000 1.070 162 A CA 0.250 52.200 52.037 -0.144 0.000 0.768 162 A CB 0.420 19.314 19.000 -0.176 0.000 1.011 162 A HN 0.778 nan 8.150 nan 0.000 0.502 163 Q N 0.253 120.033 119.800 -0.033 0.000 2.387 163 Q HA 0.054 4.394 4.340 -0.001 0.000 0.208 163 Q C -0.474 175.546 176.000 0.034 0.000 0.935 163 Q CA 0.952 56.766 55.803 0.017 0.000 0.891 163 Q CB 0.118 28.862 28.738 0.011 0.000 1.007 163 Q HN 0.879 nan 8.270 nan 0.000 0.548 164 N N 1.806 120.512 118.700 0.010 0.000 2.581 164 N HA 0.270 5.009 4.740 -0.001 0.000 0.279 164 N C -2.619 172.891 175.510 -0.000 0.000 1.124 164 N CA -0.801 52.259 53.050 0.016 0.000 0.833 164 N CB 1.707 40.201 38.487 0.011 0.000 1.338 164 N HN 0.030 nan 8.380 nan 0.000 0.533 165 P HA 0.274 nan 4.420 nan 0.000 0.281 165 P C -0.612 176.704 177.300 0.027 0.000 1.264 165 P CA -0.607 62.517 63.100 0.040 0.000 0.824 165 P CB 0.728 32.455 31.700 0.044 0.000 1.092 166 F N 1.594 121.516 119.950 -0.046 0.000 2.607 166 F HA 0.278 4.805 4.527 -0.001 0.000 0.374 166 F C -0.024 175.683 175.800 -0.154 0.000 1.104 166 F CA 0.848 58.778 58.000 -0.117 0.000 1.296 166 F CB 0.311 39.235 39.000 -0.128 0.000 1.085 166 F HN 0.476 nan 8.300 nan 0.000 0.584 167 S N 6.870 121.793 115.700 -1.294 0.000 2.542 167 S HA 0.453 4.922 4.470 -0.001 0.000 0.276 167 S C -1.097 172.834 174.600 -1.114 0.000 1.148 167 S CA -1.120 56.306 58.200 -1.290 0.000 0.886 167 S CB 0.868 63.721 63.200 -0.579 0.000 1.109 167 S HN 1.011 nan 8.310 nan 0.000 0.458 168 I N 1.323 121.312 120.570 -0.968 0.000 2.566 168 I HA 0.633 4.802 4.170 -0.001 0.000 0.303 168 I C -0.677 175.248 176.117 -0.320 0.000 0.983 168 I CA -0.482 60.470 61.300 -0.580 0.000 1.235 168 I CB 1.600 39.250 38.000 -0.584 0.000 1.386 168 I HN 0.920 nan 8.210 nan 0.000 0.494 169 Q N 5.550 125.218 119.800 -0.221 0.000 2.275 169 Q HA 0.435 4.775 4.340 -0.001 0.000 0.258 169 Q C -2.069 173.847 176.000 -0.141 0.000 0.960 169 Q CA -0.650 55.065 55.803 -0.146 0.000 0.801 169 Q CB 2.201 30.845 28.738 -0.158 0.000 1.302 169 Q HN 0.586 nan 8.270 nan 0.000 0.433 170 V N 5.708 125.564 119.914 -0.097 0.000 2.398 170 V HA 0.555 4.675 4.120 -0.001 0.000 0.286 170 V C -0.272 175.744 176.094 -0.131 0.000 1.026 170 V CA -0.406 61.792 62.300 -0.170 0.000 0.868 170 V CB 1.396 33.095 31.823 -0.207 0.000 0.982 170 V HN 0.656 nan 8.190 nan 0.000 0.443 171 I N 4.395 124.901 120.570 -0.107 0.000 2.509 171 I HA 0.522 4.692 4.170 -0.001 0.000 0.293 171 I C 0.197 176.293 176.117 -0.035 0.000 1.020 171 I CA -0.680 60.577 61.300 -0.072 0.000 1.088 171 I CB 1.900 39.863 38.000 -0.061 0.000 1.267 171 I HN 0.500 nan 8.210 nan 0.000 0.430 172 R N 6.056 126.540 120.500 -0.027 0.000 2.288 172 R HA 0.158 4.497 4.340 -0.001 0.000 0.330 172 R C 1.113 177.410 176.300 -0.005 0.000 1.069 172 R CA -0.256 55.846 56.100 0.003 0.000 0.941 172 R CB 0.682 30.993 30.300 0.018 0.000 0.998 172 R HN 0.725 nan 8.270 nan 0.000 0.452 173 K N 2.131 122.521 120.400 -0.015 0.000 2.057 173 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 173 K C 1.692 178.283 176.600 -0.014 0.000 1.050 173 K CA 1.354 57.626 56.287 -0.024 0.000 0.935 173 K CB -0.346 32.127 32.500 -0.043 0.000 0.715 173 K HN 0.537 nan 8.250 nan 0.000 0.439 174 S N 2.948 118.642 115.700 -0.009 0.000 2.451 174 S HA -0.276 4.194 4.470 -0.001 0.000 0.272 174 S C 1.593 176.197 174.600 0.006 0.000 1.136 174 S CA 2.431 60.632 58.200 0.001 0.000 1.209 174 S CB -0.579 62.626 63.200 0.010 0.000 1.130 174 S HN 0.753 nan 8.310 nan 0.000 0.440 175 N N -0.576 118.131 118.700 0.010 0.000 2.143 175 N HA 0.242 4.982 4.740 -0.001 0.000 0.222 175 N C 1.170 176.686 175.510 0.011 0.000 1.264 175 N CA 1.021 54.080 53.050 0.015 0.000 0.897 175 N CB -0.190 38.313 38.487 0.028 0.000 1.092 175 N HN 0.891 nan 8.380 nan 0.000 0.516 176 G N 1.213 110.014 108.800 0.002 0.000 2.184 176 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.264 176 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.264 176 G C -0.027 174.870 174.900 -0.006 0.000 0.975 176 G CA 0.677 45.774 45.100 -0.006 0.000 0.642 176 G HN 0.708 nan 8.290 nan 0.000 0.536 177 K N 1.574 121.977 120.400 0.005 0.000 2.416 177 K HA 0.434 4.753 4.320 -0.001 0.000 0.283 177 K C 0.835 177.426 176.600 -0.015 0.000 1.037 177 K CA 0.528 56.820 56.287 0.010 0.000 0.995 177 K CB 0.354 32.876 32.500 0.038 0.000 0.938 177 K HN 0.310 nan 8.250 nan 0.000 0.475 178 T N 4.075 118.614 114.554 -0.024 0.000 2.780 178 T HA 0.236 4.586 4.350 -0.001 0.000 0.294 178 T C 0.986 175.642 174.700 -0.073 0.000 0.949 178 T CA -0.681 61.385 62.100 -0.056 0.000 1.074 178 T CB 0.436 69.269 68.868 -0.058 0.000 0.910 178 T HN 0.639 nan 8.240 nan 0.000 0.501 179 L N 3.295 124.421 121.223 -0.162 0.000 2.221 179 L HA 0.431 4.771 4.340 -0.001 0.000 0.202 179 L C 0.432 177.174 176.870 -0.213 0.000 1.074 179 L CA 0.227 54.845 54.840 -0.371 0.000 0.795 179 L CB 0.090 41.628 42.059 -0.869 0.000 0.960 179 L HN 0.629 nan 8.230 nan 0.000 0.458 180 F N 0.796 120.582 119.950 -0.273 0.000 2.659 180 F HA 0.342 4.869 4.527 -0.000 0.000 0.342 180 F C -1.082 174.637 175.800 -0.134 0.000 1.168 180 F CA -0.994 56.920 58.000 -0.144 0.000 1.003 180 F CB 1.043 39.967 39.000 -0.127 0.000 1.267 180 F HN -0.224 nan 8.300 nan 0.000 0.463 181 D N 4.020 124.223 120.400 -0.327 0.000 2.446 181 D HA 0.223 4.862 4.640 -0.001 0.000 0.251 181 D C 0.654 176.756 176.300 -0.329 0.000 1.137 181 D CA -0.051 53.797 54.000 -0.252 0.000 0.890 181 D CB 1.676 42.374 40.800 -0.170 0.000 1.071 181 D HN 0.517 nan 8.370 nan 0.000 0.528 182 T N 0.454 114.809 114.554 -0.332 0.000 3.035 182 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 182 T C 1.892 176.439 174.700 -0.255 0.000 1.109 182 T CA 1.292 63.204 62.100 -0.314 0.000 1.119 182 T CB 0.026 68.695 68.868 -0.332 0.000 0.900 182 T HN 0.487 nan 8.240 nan 0.000 0.503 183 S N 0.975 116.531 115.700 -0.241 0.000 2.493 183 S HA -0.072 4.398 4.470 -0.001 0.000 0.243 183 S C 1.774 176.300 174.600 -0.123 0.000 0.991 183 S CA 0.421 58.508 58.200 -0.189 0.000 0.957 183 S CB -0.543 62.557 63.200 -0.165 0.000 0.756 183 S HN 0.343 nan 8.310 nan 0.000 0.521 184 I N 1.498 121.997 120.570 -0.118 0.000 2.928 184 I HA 0.334 4.504 4.170 -0.001 0.000 0.266 184 I C 1.153 177.253 176.117 -0.030 0.000 1.234 184 I CA 0.182 61.439 61.300 -0.072 0.000 1.483 184 I CB -0.162 37.787 38.000 -0.085 0.000 1.097 184 I HN 0.508 nan 8.210 nan 0.000 0.455 185 G N -0.574 108.197 108.800 -0.047 0.000 2.682 185 G HA2 0.504 4.464 3.960 -0.001 0.000 0.303 185 G HA3 0.504 4.464 3.960 -0.001 0.000 0.303 185 G C -2.954 171.897 174.900 -0.081 0.000 1.341 185 G CA -0.613 44.466 45.100 -0.035 0.000 0.784 185 G HN -0.136 nan 8.290 nan 0.000 0.497 186 P HA 0.523 nan 4.420 nan 0.000 0.279 186 P C -1.040 176.248 177.300 -0.020 0.000 1.276 186 P CA -0.567 62.461 63.100 -0.120 0.000 0.801 186 P CB 1.693 33.190 31.700 -0.339 0.000 1.127 187 L N 0.941 122.243 121.223 0.133 0.000 2.295 187 L HA 0.448 4.787 4.340 -0.001 0.000 0.285 187 L C -1.036 175.984 176.870 0.251 0.000 1.035 187 L CA -0.532 54.410 54.840 0.170 0.000 0.806 187 L CB 1.286 43.448 42.059 0.171 0.000 1.214 187 L HN 0.033 nan 8.230 nan 0.000 0.426 188 V N 6.085 126.125 119.914 0.209 0.000 2.407 188 V HA 0.329 4.449 4.120 -0.001 0.000 0.291 188 V C -1.239 175.036 176.094 0.301 0.000 1.018 188 V CA -0.436 62.057 62.300 0.322 0.000 0.842 188 V CB 1.147 33.160 31.823 0.316 0.000 0.996 188 V HN 0.689 nan 8.190 nan 0.000 0.426 189 Y N 4.606 125.047 120.300 0.235 0.000 2.526 189 Y HA 0.573 5.123 4.550 -0.001 0.000 0.328 189 Y C 0.447 176.483 175.900 0.227 0.000 0.995 189 Y CA -0.249 57.936 58.100 0.140 0.000 1.304 189 Y CB 1.427 39.871 38.460 -0.028 0.000 1.096 189 Y HN 0.726 nan 8.280 nan 0.000 0.499 190 S N 1.399 117.229 115.700 0.217 0.000 2.607 190 S HA 0.245 4.714 4.470 -0.001 0.000 0.303 190 S C 0.610 175.282 174.600 0.120 0.000 1.086 190 S CA -0.627 57.713 58.200 0.233 0.000 0.995 190 S CB 1.684 65.062 63.200 0.298 0.000 1.084 190 S HN 0.663 nan 8.310 nan 0.000 0.507 191 D N 0.601 121.089 120.400 0.148 0.000 2.149 191 D HA -0.193 4.447 4.640 -0.001 0.000 0.194 191 D C 1.337 177.698 176.300 0.102 0.000 1.001 191 D CA 1.935 56.002 54.000 0.110 0.000 0.849 191 D CB 0.066 40.932 40.800 0.110 0.000 0.939 191 D HN 0.714 nan 8.370 nan 0.000 0.449 192 Q N -2.099 117.791 119.800 0.149 0.000 2.139 192 Q HA 0.137 4.477 4.340 -0.001 0.000 0.219 192 Q C -1.049 175.094 176.000 0.238 0.000 0.805 192 Q CA -0.316 55.601 55.803 0.189 0.000 1.024 192 Q CB 1.383 30.231 28.738 0.183 0.000 1.163 192 Q HN 0.304 nan 8.270 nan 0.000 0.485 193 Y N 0.475 120.803 120.300 0.046 0.000 2.361 193 Y HA 0.431 4.980 4.550 -0.001 0.000 0.328 193 Y C -1.990 173.889 175.900 -0.035 0.000 1.044 193 Y CA -1.217 56.867 58.100 -0.025 0.000 1.085 193 Y CB 1.129 39.565 38.460 -0.040 0.000 1.194 193 Y HN -0.114 nan 8.280 nan 0.000 0.438 194 L N 5.733 126.651 121.223 -0.510 0.000 2.362 194 L HA 0.585 4.925 4.340 -0.001 0.000 0.275 194 L C -0.888 175.675 176.870 -0.511 0.000 0.998 194 L CA -0.585 54.015 54.840 -0.399 0.000 0.820 194 L CB 2.017 43.894 42.059 -0.303 0.000 1.270 194 L HN 0.719 nan 8.230 nan 0.000 0.415 195 Q N 3.543 123.198 119.800 -0.242 0.000 2.289 195 Q HA 0.700 5.040 4.340 -0.001 0.000 0.270 195 Q C -1.870 174.166 176.000 0.060 0.000 1.038 195 Q CA -0.434 55.291 55.803 -0.130 0.000 0.812 195 Q CB 3.015 31.695 28.738 -0.096 0.000 1.300 195 Q HN 0.692 nan 8.270 nan 0.000 0.427 196 I N 1.335 121.995 120.570 0.150 0.000 2.775 196 I HA 0.490 4.660 4.170 -0.001 0.000 0.295 196 I C -1.503 174.739 176.117 0.208 0.000 1.287 196 I CA -0.258 61.142 61.300 0.167 0.000 1.029 196 I CB 2.535 40.661 38.000 0.210 0.000 1.282 196 I HN 0.606 nan 8.210 nan 0.000 0.426 197 S N 4.443 120.194 115.700 0.085 0.000 2.568 197 S HA 0.944 5.414 4.470 -0.001 0.000 0.293 197 S C -1.064 173.459 174.600 -0.128 0.000 1.089 197 S CA -0.641 57.586 58.200 0.045 0.000 0.945 197 S CB 1.949 65.163 63.200 0.023 0.000 1.077 197 S HN 0.767 nan 8.310 nan 0.000 0.485 198 A N 1.848 124.550 122.820 -0.196 0.000 2.427 198 A HA 0.685 5.004 4.320 -0.001 0.000 0.298 198 A C -0.637 176.775 177.584 -0.287 0.000 1.036 198 A CA -0.701 51.050 52.037 -0.477 0.000 0.701 198 A CB 1.162 19.524 19.000 -1.063 0.000 1.250 198 A HN 0.701 nan 8.150 nan 0.000 0.412 199 R N 2.849 123.194 120.500 -0.258 0.000 2.308 199 R HA 0.579 4.919 4.340 -0.001 0.000 0.305 199 R C -1.182 175.065 176.300 -0.088 0.000 1.053 199 R CA -0.217 55.793 56.100 -0.149 0.000 0.957 199 R CB 0.364 30.591 30.300 -0.122 0.000 1.022 199 R HN 0.737 nan 8.270 nan 0.000 0.461 200 L N 6.254 127.471 121.223 -0.011 0.000 2.334 200 L HA 0.437 4.777 4.340 -0.001 0.000 0.272 200 L C -1.297 175.637 176.870 0.106 0.000 1.020 200 L CA -2.127 52.791 54.840 0.129 0.000 0.812 200 L CB 2.088 44.257 42.059 0.184 0.000 1.264 200 L HN 0.552 nan 8.230 nan 0.000 0.439 201 P HA -0.029 nan 4.420 nan 0.000 0.227 201 P C 0.240 177.620 177.300 0.132 0.000 1.161 201 P CA 0.604 63.789 63.100 0.143 0.000 0.788 201 P CB 0.464 32.276 31.700 0.187 0.000 0.822 202 S N -1.461 114.323 115.700 0.140 0.000 2.740 202 S HA 0.410 4.880 4.470 -0.001 0.000 0.300 202 S C -0.066 174.571 174.600 0.062 0.000 1.147 202 S CA -0.648 57.643 58.200 0.151 0.000 0.871 202 S CB 1.223 64.562 63.200 0.232 0.000 1.173 202 S HN -0.310 nan 8.310 nan 0.000 0.510 203 D N 0.218 120.658 120.400 0.067 0.000 2.358 203 D HA 0.233 4.872 4.640 -0.001 0.000 0.224 203 D C -1.127 174.814 176.300 -0.599 0.000 1.123 203 D CA 0.457 54.296 54.000 -0.268 0.000 0.833 203 D CB -0.201 40.397 40.800 -0.337 0.000 0.946 203 D HN 0.484 nan 8.370 nan 0.000 0.505 204 Y N 0.495 120.698 120.300 -0.162 0.000 2.464 204 Y HA 0.446 4.996 4.550 -0.001 0.000 0.326 204 Y C 0.184 175.777 175.900 -0.511 0.000 0.969 204 Y CA -0.627 57.278 58.100 -0.325 0.000 1.270 204 Y CB 0.934 39.293 38.460 -0.169 0.000 1.103 204 Y HN -0.262 nan 8.280 nan 0.000 0.491 205 I N 3.814 123.977 120.570 -0.679 0.000 2.509 205 I HA 0.448 4.618 4.170 -0.001 0.000 0.293 205 I C -1.246 174.364 176.117 -0.845 0.000 1.020 205 I CA -1.068 59.867 61.300 -0.609 0.000 1.088 205 I CB 1.879 39.509 38.000 -0.616 0.000 1.267 205 I HN 0.393 nan 8.210 nan 0.000 0.430 206 Y N 3.366 123.485 120.300 -0.301 0.000 2.406 206 Y HA 0.797 5.346 4.550 -0.000 0.000 0.340 206 Y C 0.602 176.299 175.900 -0.337 0.000 0.975 206 Y CA -0.541 57.278 58.100 -0.470 0.000 1.056 206 Y CB 2.167 40.198 38.460 -0.715 0.000 1.210 206 Y HN 0.830 nan 8.280 nan 0.000 0.448 207 G N 1.474 110.178 108.800 -0.159 0.000 2.297 207 G HA2 0.173 4.133 3.960 -0.001 0.000 0.209 207 G HA3 0.173 4.133 3.960 -0.001 0.000 0.209 207 G C -1.130 173.821 174.900 0.086 0.000 1.267 207 G CA -0.572 44.508 45.100 -0.033 0.000 1.127 207 G HN 0.967 nan 8.290 nan 0.000 0.498 208 I N -0.948 119.781 120.570 0.264 0.000 8.785 208 I HA 0.193 4.363 4.170 -0.001 0.000 0.126 208 I C 0.655 176.936 176.117 0.272 0.000 1.862 208 I CA 1.287 62.681 61.300 0.157 0.000 2.038 208 I CB -0.728 37.250 38.000 -0.037 0.000 3.895 208 I HN 2.371 nan 8.210 nan 0.000 0.169 209 G N 4.151 112.978 108.800 0.046 0.000 2.495 209 G HA2 0.542 4.501 3.960 -0.001 0.000 0.294 209 G HA3 0.542 4.501 3.960 -0.001 0.000 0.294 209 G C -1.867 172.993 174.900 -0.066 0.000 1.397 209 G CA -0.651 44.468 45.100 0.032 0.000 0.790 209 G HN 0.790 nan 8.290 nan 0.000 0.486 210 E N -0.154 120.051 120.200 0.009 0.000 2.130 210 E HA 0.560 4.910 4.350 -0.001 0.000 0.284 210 E C -0.431 176.171 176.600 0.004 0.000 1.018 210 E CA -0.141 56.321 56.400 0.102 0.000 0.817 210 E CB 0.797 30.645 29.700 0.246 0.000 1.078 210 E HN 0.381 nan 8.360 nan 0.000 0.396 211 Q N 1.437 121.154 119.800 -0.138 0.000 2.605 211 Q HA 0.451 4.791 4.340 -0.001 0.000 0.296 211 Q C -1.397 174.381 176.000 -0.371 0.000 1.056 211 Q CA -0.877 54.777 55.803 -0.248 0.000 0.778 211 Q CB 2.181 30.741 28.738 -0.297 0.000 1.497 211 Q HN 0.328 nan 8.270 nan 0.000 0.443 212 V N 2.001 121.752 119.914 -0.272 0.000 2.353 212 V HA 0.127 4.247 4.120 -0.001 0.000 0.264 212 V C -0.102 175.756 176.094 -0.393 0.000 1.049 212 V CA 0.140 62.264 62.300 -0.294 0.000 0.896 212 V CB 0.285 31.954 31.823 -0.257 0.000 1.025 212 V HN 0.728 nan 8.190 nan 0.000 0.475 213 H N 2.931 121.846 119.070 -0.258 0.000 2.497 213 H HA 0.112 4.667 4.556 -0.001 0.000 0.282 213 H C 1.572 176.749 175.328 -0.252 0.000 1.003 213 H CA 0.674 56.524 56.048 -0.329 0.000 1.307 213 H CB 0.223 29.686 29.762 -0.499 0.000 1.437 213 H HN 0.691 nan 8.280 nan 0.000 0.544 214 K N -1.386 118.878 120.400 -0.227 0.000 4.998 214 K HA -0.179 4.140 4.320 -0.001 0.000 0.444 214 K C -0.022 176.623 176.600 0.075 0.000 0.393 214 K CA 1.453 57.584 56.287 -0.258 0.000 1.908 214 K CB -0.545 31.756 32.500 -0.332 0.000 0.757 214 K HN 0.071 nan 8.250 nan 0.000 0.588 215 R N -0.126 120.401 120.500 0.046 0.000 2.711 215 R HA 0.276 4.615 4.340 -0.001 0.000 0.284 215 R C 0.464 176.797 176.300 0.055 0.000 0.968 215 R CA -0.399 55.752 56.100 0.084 0.000 0.924 215 R CB 0.942 31.268 30.300 0.043 0.000 1.162 215 R HN 0.032 nan 8.270 nan 0.000 0.465 216 F N 2.388 122.326 119.950 -0.019 0.000 2.187 216 F HA 0.024 4.551 4.527 -0.000 0.000 0.295 216 F C 1.077 176.846 175.800 -0.053 0.000 1.091 216 F CA 0.771 58.765 58.000 -0.010 0.000 1.308 216 F CB 0.155 39.217 39.000 0.104 0.000 1.030 216 F HN 0.400 nan 8.300 nan 0.000 0.487 217 R N 0.600 121.043 120.500 -0.096 0.000 2.308 217 R HA 0.202 4.542 4.340 -0.001 0.000 0.305 217 R C -1.207 174.851 176.300 -0.402 0.000 1.053 217 R CA -0.171 55.680 56.100 -0.415 0.000 0.957 217 R CB -0.256 29.949 30.300 -0.159 0.000 1.022 217 R HN 0.191 nan 8.270 nan 0.000 0.461 218 H N 1.251 119.998 119.070 -0.538 0.000 2.848 218 H HA 0.049 4.604 4.556 -0.001 0.000 0.341 218 H C -0.523 174.631 175.328 -0.289 0.000 1.060 218 H CA 0.894 56.696 56.048 -0.410 0.000 1.444 218 H CB 0.639 30.105 29.762 -0.493 0.000 1.446 218 H HN 0.674 nan 8.280 nan 0.000 0.583 219 D N 2.691 123.061 120.400 -0.049 0.000 2.390 219 D HA -0.014 4.626 4.640 -0.001 0.000 0.249 219 D C 0.433 176.675 176.300 -0.096 0.000 1.144 219 D CA 0.089 54.055 54.000 -0.056 0.000 0.880 219 D CB 0.778 41.582 40.800 0.007 0.000 1.182 219 D HN 0.488 nan 8.370 nan 0.000 0.451 220 L N 2.230 123.340 121.223 -0.189 0.000 2.607 220 L HA 0.113 4.453 4.340 -0.001 0.000 0.228 220 L C 1.351 178.006 176.870 -0.357 0.000 1.123 220 L CA -0.080 54.583 54.840 -0.295 0.000 0.890 220 L CB 0.049 41.913 42.059 -0.324 0.000 1.103 220 L HN 0.247 nan 8.230 nan 0.000 0.468 221 S N 0.470 116.040 115.700 -0.216 0.000 4.183 221 S HA 0.082 4.552 4.470 -0.001 0.000 0.195 221 S C -0.596 174.000 174.600 -0.007 0.000 1.421 221 S CA -0.461 57.666 58.200 -0.121 0.000 0.920 221 S CB -0.860 62.356 63.200 0.027 0.000 1.525 221 S HN 0.418 nan 8.310 nan 0.000 0.447 222 W N 1.413 122.558 121.300 -0.258 0.000 5.655 222 W HA -0.181 4.478 4.660 -0.001 0.000 0.428 222 W C -0.123 176.109 176.519 -0.478 0.000 1.712 222 W CA -0.009 57.125 57.345 -0.351 0.000 0.956 222 W CB -1.583 27.845 29.460 -0.054 0.000 2.931 222 W HN 0.280 nan 8.180 nan 0.000 1.293 223 K N 0.755 120.785 120.400 -0.616 0.000 2.270 223 K HA 0.630 4.950 4.320 -0.001 0.000 0.255 223 K C 0.334 176.507 176.600 -0.711 0.000 0.936 223 K CA -0.782 55.174 56.287 -0.551 0.000 0.809 223 K CB 1.882 34.127 32.500 -0.424 0.000 1.131 223 K HN -0.007 nan 8.250 nan 0.000 0.427 224 T N -0.623 113.626 114.554 -0.508 0.000 2.875 224 T HA 0.522 4.872 4.350 -0.001 0.000 0.284 224 T C -0.554 173.796 174.700 -0.583 0.000 0.995 224 T CA -0.751 61.190 62.100 -0.265 0.000 1.060 224 T CB 0.639 69.534 68.868 0.046 0.000 0.967 224 T HN 0.510 nan 8.240 nan 0.000 0.476 225 W N 3.340 124.663 121.300 0.039 0.000 2.521 225 W HA 0.382 5.041 4.660 -0.000 0.000 0.310 225 W C -2.594 173.946 176.519 0.035 0.000 1.000 225 W CA -2.469 54.899 57.345 0.037 0.000 1.353 225 W CB 1.566 31.062 29.460 0.061 0.000 1.276 225 W HN 0.478 nan 8.180 nan 0.000 0.417 226 P HA 0.314 nan 4.420 nan 0.000 0.280 226 P C -0.476 176.903 177.300 0.133 0.000 1.244 226 P CA 0.096 63.279 63.100 0.139 0.000 0.784 226 P CB 1.664 33.412 31.700 0.080 0.000 0.913 227 I N 4.318 124.941 120.570 0.089 0.000 2.382 227 I HA 0.502 4.672 4.170 -0.001 0.000 0.286 227 I C -0.610 175.597 176.117 0.150 0.000 1.002 227 I CA -0.564 60.732 61.300 -0.007 0.000 1.135 227 I CB 0.929 38.785 38.000 -0.240 0.000 1.288 227 I HN 0.222 nan 8.210 nan 0.000 0.448 228 F N 4.319 124.276 119.950 0.013 0.000 2.688 228 F HA 0.169 4.696 4.527 -0.000 0.000 0.332 228 F C -0.112 175.801 175.800 0.187 0.000 1.131 228 F CA -0.458 57.645 58.000 0.172 0.000 1.113 228 F CB 1.305 40.361 39.000 0.095 0.000 1.359 228 F HN 0.299 nan 8.300 nan 0.000 0.551 229 T N 5.127 119.618 114.554 -0.105 0.000 2.908 229 T HA 0.418 4.768 4.350 -0.001 0.000 0.301 229 T C -0.474 174.151 174.700 -0.125 0.000 1.019 229 T CA 0.694 62.726 62.100 -0.113 0.000 1.152 229 T CB -0.044 68.702 68.868 -0.204 0.000 0.966 229 T HN 0.739 nan 8.240 nan 0.000 0.540 230 R N 3.237 123.718 120.500 -0.032 0.000 2.561 230 R HA 0.289 4.629 4.340 -0.001 0.000 0.266 230 R C -1.956 174.326 176.300 -0.029 0.000 1.091 230 R CA -0.719 55.370 56.100 -0.018 0.000 0.927 230 R CB 1.166 31.462 30.300 -0.006 0.000 1.240 230 R HN 0.478 nan 8.270 nan 0.000 0.449 231 D N 2.693 123.119 120.400 0.044 0.000 2.325 231 D HA 0.285 4.925 4.640 -0.001 0.000 0.251 231 D C -1.261 175.050 176.300 0.020 0.000 1.196 231 D CA 0.454 54.525 54.000 0.119 0.000 0.866 231 D CB 1.167 42.070 40.800 0.173 0.000 1.101 231 D HN 0.466 nan 8.370 nan 0.000 0.476 232 Q N 3.310 123.059 119.800 -0.085 0.000 2.468 232 Q HA 0.281 4.620 4.340 -0.001 0.000 0.263 232 Q C -1.594 174.379 176.000 -0.044 0.000 0.979 232 Q CA -0.552 55.210 55.803 -0.069 0.000 0.932 232 Q CB 0.871 29.537 28.738 -0.119 0.000 1.462 232 Q HN 0.453 nan 8.270 nan 0.000 0.403 233 L N 5.163 126.445 121.223 0.098 0.000 2.513 233 L HA 0.293 4.632 4.340 -0.001 0.000 0.272 233 L C -1.826 175.105 176.870 0.102 0.000 1.187 233 L CA -1.509 53.432 54.840 0.168 0.000 0.895 233 L CB 0.065 42.248 42.059 0.206 0.000 1.147 233 L HN 0.550 nan 8.230 nan 0.000 0.483 234 P HA 0.159 nan 4.420 nan 0.000 0.268 234 P C -0.000 177.411 177.300 0.186 0.000 1.204 234 P CA 0.029 63.200 63.100 0.118 0.000 0.768 234 P CB 1.055 32.865 31.700 0.184 0.000 0.842 235 G N 1.070 109.955 108.800 0.142 0.000 2.749 235 G HA2 0.315 4.275 3.960 -0.001 0.000 0.300 235 G HA3 0.315 4.275 3.960 -0.001 0.000 0.300 235 G C -1.384 173.564 174.900 0.080 0.000 1.352 235 G CA -0.431 44.789 45.100 0.200 0.000 0.789 235 G HN 0.333 nan 8.290 nan 0.000 0.509 236 D N 1.165 121.637 120.400 0.121 0.000 2.551 236 D HA 0.237 4.877 4.640 -0.001 0.000 0.223 236 D C 0.295 176.583 176.300 -0.020 0.000 1.144 236 D CA -0.140 53.846 54.000 -0.025 0.000 1.025 236 D CB -0.823 40.078 40.800 0.168 0.000 1.085 236 D HN 0.512 nan 8.370 nan 0.000 0.506 237 N N 0.711 119.381 118.700 -0.051 0.000 3.308 237 N HA 0.031 4.770 4.740 -0.001 0.000 0.276 237 N C -0.414 175.092 175.510 -0.008 0.000 1.533 237 N CA -0.650 52.383 53.050 -0.029 0.000 0.878 237 N CB 0.108 38.590 38.487 -0.008 0.000 1.566 237 N HN 0.063 nan 8.380 nan 0.000 0.546 238 N N -0.528 118.148 118.700 -0.040 0.000 2.279 238 N HA 0.029 4.768 4.740 -0.001 0.000 0.226 238 N C -1.026 174.520 175.510 0.060 0.000 1.126 238 N CA -0.318 52.732 53.050 -0.000 0.000 0.846 238 N CB -0.853 37.428 38.487 -0.342 0.000 1.050 238 N HN 0.430 nan 8.380 nan 0.000 0.502 239 N N 1.928 120.646 118.700 0.030 0.000 2.356 239 N HA -0.072 4.667 4.740 -0.001 0.000 0.252 239 N C -0.153 175.379 175.510 0.037 0.000 1.241 239 N CA -0.072 52.990 53.050 0.020 0.000 0.861 239 N CB 0.335 38.818 38.487 -0.007 0.000 1.075 239 N HN 0.419 nan 8.380 nan 0.000 0.461 240 N N 3.255 121.982 118.700 0.045 0.000 2.468 240 N HA 0.030 4.770 4.740 -0.001 0.000 0.265 240 N C -0.436 175.055 175.510 -0.032 0.000 1.199 240 N CA 0.348 53.426 53.050 0.047 0.000 0.928 240 N CB 1.078 39.629 38.487 0.108 0.000 1.059 240 N HN 0.400 nan 8.380 nan 0.000 0.467 241 L N 0.951 122.129 121.223 -0.074 0.000 2.798 241 L HA 0.291 4.631 4.340 -0.001 0.000 0.230 241 L C 1.307 178.085 176.870 -0.153 0.000 1.868 241 L CA -0.992 53.696 54.840 -0.253 0.000 2.126 241 L CB -0.330 41.525 42.059 -0.340 0.000 2.569 241 L HN 0.316 nan 8.230 nan 0.000 0.592 242 Y N 0.263 120.594 120.300 0.051 0.000 2.224 242 Y HA -0.012 4.538 4.550 -0.000 0.000 0.289 242 Y C 1.468 177.408 175.900 0.067 0.000 1.146 242 Y CA 0.724 58.849 58.100 0.041 0.000 1.182 242 Y CB -0.876 37.594 38.460 0.017 0.000 0.983 242 Y HN 0.416 nan 8.280 nan 0.000 0.524 243 G N -1.851 107.101 108.800 0.253 0.000 2.491 243 G HA2 0.386 4.345 3.960 -0.001 0.000 0.327 243 G HA3 0.386 4.345 3.960 -0.001 0.000 0.327 243 G C -1.625 173.373 174.900 0.163 0.000 1.189 243 G CA -0.559 44.662 45.100 0.202 0.000 0.956 243 G HN 0.379 nan 8.290 nan 0.000 0.491 244 H N 0.178 119.283 119.070 0.058 0.000 2.791 244 H HA 0.406 4.961 4.556 -0.001 0.000 0.272 244 H C -0.797 174.438 175.328 -0.155 0.000 1.188 244 H CA -0.557 55.526 56.048 0.059 0.000 1.436 244 H CB 0.457 30.374 29.762 0.258 0.000 1.467 244 H HN 0.211 nan 8.280 nan 0.000 0.500 245 Q N 3.506 123.152 119.800 -0.258 0.000 2.290 245 Q HA 0.144 4.484 4.340 -0.001 0.000 0.269 245 Q C 0.395 176.209 176.000 -0.311 0.000 1.016 245 Q CA -0.443 55.047 55.803 -0.523 0.000 0.754 245 Q CB 2.013 29.898 28.738 -1.423 0.000 1.247 245 Q HN 0.839 nan 8.270 nan 0.000 0.451 246 T N -1.517 113.018 114.554 -0.031 0.000 3.086 246 T HA 0.144 4.494 4.350 -0.001 0.000 0.250 246 T C 0.454 175.316 174.700 0.270 0.000 1.074 246 T CA -0.193 61.994 62.100 0.145 0.000 0.988 246 T CB -0.067 68.921 68.868 0.199 0.000 0.988 246 T HN 0.316 nan 8.240 nan 0.000 0.530 247 F N 3.989 123.953 119.950 0.024 0.000 2.504 247 F HA 0.487 5.014 4.527 -0.000 0.000 0.369 247 F C -0.528 175.340 175.800 0.113 0.000 1.082 247 F CA -2.457 55.521 58.000 -0.036 0.000 1.216 247 F CB 0.033 38.697 39.000 -0.561 0.000 1.108 247 F HN 0.263 nan 8.300 nan 0.000 0.554 248 F N 6.288 125.847 119.950 -0.652 0.000 2.620 248 F HA 0.736 5.262 4.527 -0.001 0.000 0.320 248 F C -1.247 173.970 175.800 -0.972 0.000 1.069 248 F CA -1.564 55.978 58.000 -0.764 0.000 0.953 248 F CB 1.483 40.248 39.000 -0.391 0.000 1.322 248 F HN 0.552 nan 8.300 nan 0.000 0.479 249 M N 2.852 122.183 119.600 -0.448 0.000 2.619 249 M HA 0.727 5.206 4.480 -0.001 0.000 0.297 249 M C -2.125 174.079 176.300 -0.159 0.000 1.229 249 M CA -0.525 54.526 55.300 -0.415 0.000 0.860 249 M CB 2.285 34.687 32.600 -0.330 0.000 1.741 249 M HN 1.105 nan 8.290 nan 0.000 0.462 250 C N 4.479 123.566 119.300 -0.355 0.000 2.871 250 C HA 0.609 5.069 4.460 -0.001 0.000 0.378 250 C C -1.391 173.361 174.990 -0.398 0.000 1.052 250 C CA -0.785 58.007 59.018 -0.376 0.000 1.250 250 C CB 0.792 28.149 27.740 -0.638 0.000 1.689 250 C HN 0.979 nan 8.230 nan 0.000 0.506 251 I N 5.625 126.050 120.570 -0.242 0.000 2.321 251 I HA 0.422 4.591 4.170 -0.001 0.000 0.291 251 I C 0.870 176.839 176.117 -0.247 0.000 0.998 251 I CA 0.005 61.108 61.300 -0.328 0.000 1.227 251 I CB 1.418 39.074 38.000 -0.574 0.000 1.368 251 I HN 0.875 nan 8.210 nan 0.000 0.466 252 E N 4.485 124.630 120.200 -0.092 0.000 2.076 252 E HA -0.024 4.325 4.350 -0.001 0.000 0.190 252 E C -0.640 176.026 176.600 0.109 0.000 0.979 252 E CA 0.813 57.254 56.400 0.067 0.000 0.807 252 E CB 0.139 29.926 29.700 0.145 0.000 0.761 252 E HN 0.875 nan 8.360 nan 0.000 0.454 253 D N -2.853 117.610 120.400 0.106 0.000 2.779 253 D HA 0.026 4.665 4.640 -0.001 0.000 0.331 253 D C 0.195 176.716 176.300 0.368 0.000 1.331 253 D CA -0.586 53.577 54.000 0.272 0.000 0.866 253 D CB 0.493 41.407 40.800 0.191 0.000 1.409 253 D HN -0.251 nan 8.370 nan 0.000 0.486 254 T N -1.201 113.591 114.554 0.397 0.000 2.929 254 T HA -0.097 4.253 4.350 -0.001 0.000 0.271 254 T C 1.605 176.517 174.700 0.354 0.000 1.085 254 T CA 1.961 64.303 62.100 0.403 0.000 1.125 254 T CB -0.602 68.392 68.868 0.211 0.000 0.874 254 T HN 0.475 nan 8.240 nan 0.000 0.494 255 S N -0.360 115.482 115.700 0.237 0.000 2.555 255 S HA 0.249 4.718 4.470 -0.001 0.000 0.230 255 S C 1.822 176.486 174.600 0.107 0.000 0.978 255 S CA 1.035 59.351 58.200 0.193 0.000 0.934 255 S CB -0.303 62.967 63.200 0.117 0.000 0.766 255 S HN 0.760 nan 8.310 nan 0.000 0.533 256 G N 0.545 109.330 108.800 -0.026 0.000 2.194 256 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.236 256 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.236 256 G C -0.025 174.655 174.900 -0.367 0.000 0.987 256 G CA -0.016 44.741 45.100 -0.572 0.000 0.635 256 G HN 0.583 nan 8.290 nan 0.000 0.520 257 K N 1.428 121.742 120.400 -0.143 0.000 2.447 257 K HA 0.492 4.811 4.320 -0.001 0.000 0.281 257 K C 0.124 176.687 176.600 -0.062 0.000 1.031 257 K CA 0.783 57.029 56.287 -0.069 0.000 1.019 257 K CB 0.540 33.048 32.500 0.013 0.000 0.918 257 K HN 0.259 nan 8.250 nan 0.000 0.476 258 S N 1.831 117.508 115.700 -0.038 0.000 2.651 258 S HA 0.712 5.182 4.470 -0.001 0.000 0.279 258 S C -1.241 173.436 174.600 0.128 0.000 1.148 258 S CA -0.976 57.197 58.200 -0.046 0.000 0.837 258 S CB 0.905 63.993 63.200 -0.186 0.000 1.138 258 S HN 0.542 nan 8.310 nan 0.000 0.478 259 F N -1.411 118.535 119.950 -0.006 0.000 2.715 259 F HA 0.983 5.510 4.527 -0.001 0.000 0.318 259 F C -0.199 175.610 175.800 0.016 0.000 1.141 259 F CA -0.921 57.094 58.000 0.026 0.000 0.950 259 F CB 0.948 39.978 39.000 0.050 0.000 1.374 259 F HN 0.771 nan 8.300 nan 0.000 0.477 260 G N 0.039 108.980 108.800 0.235 0.000 2.612 260 G HA2 0.629 4.589 3.960 -0.001 0.000 0.298 260 G HA3 0.629 4.589 3.960 -0.001 0.000 0.298 260 G C -2.420 172.567 174.900 0.145 0.000 1.336 260 G CA -1.161 43.980 45.100 0.069 0.000 0.953 260 G HN 0.767 nan 8.290 nan 0.000 0.482 261 V N 1.228 121.014 119.914 -0.214 0.000 2.482 261 V HA 0.554 4.674 4.120 -0.001 0.000 0.295 261 V C -1.393 174.757 176.094 0.093 0.000 1.026 261 V CA -0.684 61.557 62.300 -0.099 0.000 0.856 261 V CB 1.320 32.987 31.823 -0.261 0.000 1.001 261 V HN 0.703 nan 8.190 nan 0.000 0.424 262 F N 6.683 126.714 119.950 0.135 0.000 2.493 262 F HA 0.792 5.319 4.527 -0.000 0.000 0.329 262 F C -1.029 174.754 175.800 -0.027 0.000 1.126 262 F CA -1.332 56.755 58.000 0.144 0.000 0.937 262 F CB 1.747 40.883 39.000 0.228 0.000 1.146 262 F HN 0.436 nan 8.300 nan 0.000 0.442 263 L N 8.127 128.863 121.223 -0.812 0.000 2.265 263 L HA 0.529 4.869 4.340 -0.001 0.000 0.289 263 L C -0.669 175.455 176.870 -1.243 0.000 1.033 263 L CA -0.627 53.516 54.840 -1.162 0.000 0.814 263 L CB 1.215 42.688 42.059 -0.976 0.000 1.203 263 L HN 0.781 nan 8.230 nan 0.000 0.423 264 M N 6.327 125.268 119.600 -1.098 0.000 2.664 264 M HA 0.418 4.898 4.480 -0.001 0.000 0.332 264 M C -1.150 174.999 176.300 -0.252 0.000 1.354 264 M CA 0.548 55.492 55.300 -0.594 0.000 1.399 264 M CB -0.765 31.666 32.600 -0.283 0.000 1.224 264 M HN 0.666 nan 8.290 nan 0.000 0.479 265 N N 1.400 120.063 118.700 -0.062 0.000 2.452 265 N HA 0.242 4.981 4.740 -0.001 0.000 0.277 265 N C -0.941 174.707 175.510 0.229 0.000 1.078 265 N CA 0.078 53.159 53.050 0.051 0.000 0.947 265 N CB 1.657 40.123 38.487 -0.035 0.000 1.655 265 N HN 0.525 nan 8.380 nan 0.000 0.490 266 S N 1.306 117.123 115.700 0.195 0.000 2.593 266 S HA 0.266 4.736 4.470 -0.001 0.000 0.236 266 S C 0.189 174.863 174.600 0.123 0.000 0.991 266 S CA -0.612 57.594 58.200 0.009 0.000 0.963 266 S CB -0.266 62.806 63.200 -0.214 0.000 0.865 266 S HN 0.497 nan 8.310 nan 0.000 0.488 267 N N 2.097 120.916 118.700 0.199 0.000 2.424 267 N HA 0.431 5.170 4.740 -0.001 0.000 0.257 267 N C 0.144 175.781 175.510 0.213 0.000 1.250 267 N CA 0.085 53.202 53.050 0.112 0.000 0.946 267 N CB 0.790 39.282 38.487 0.008 0.000 1.175 267 N HN 0.435 nan 8.380 nan 0.000 0.477 268 A N 1.162 123.934 122.820 -0.080 0.000 2.531 268 A HA 0.307 4.627 4.320 -0.001 0.000 0.236 268 A C 0.359 177.922 177.584 -0.035 0.000 1.062 268 A CA 0.388 52.285 52.037 -0.234 0.000 0.760 268 A CB -0.235 18.174 19.000 -0.985 0.000 0.995 268 A HN 0.761 nan 8.150 nan 0.000 0.501 269 M N 0.389 120.022 119.600 0.056 0.000 2.682 269 M HA 0.658 5.137 4.480 -0.001 0.000 0.272 269 M C -1.346 175.037 176.300 0.138 0.000 1.232 269 M CA -0.543 54.834 55.300 0.128 0.000 0.849 269 M CB 1.660 34.364 32.600 0.172 0.000 1.695 269 M HN 0.526 nan 8.290 nan 0.000 0.481 270 E N 1.547 121.868 120.200 0.202 0.000 2.183 270 E HA 0.656 5.006 4.350 -0.001 0.000 0.271 270 E C -1.424 175.278 176.600 0.169 0.000 0.919 270 E CA -0.750 55.770 56.400 0.199 0.000 0.781 270 E CB 2.823 32.681 29.700 0.264 0.000 1.140 270 E HN 0.578 nan 8.360 nan 0.000 0.402 271 I N 3.501 124.153 120.570 0.136 0.000 2.330 271 I HA 0.269 4.439 4.170 -0.001 0.000 0.289 271 I C -0.793 175.379 176.117 0.091 0.000 1.001 271 I CA -0.650 60.655 61.300 0.009 0.000 1.193 271 I CB 0.671 38.605 38.000 -0.111 0.000 1.345 271 I HN 0.403 nan 8.210 nan 0.000 0.461 272 F N 8.059 127.952 119.950 -0.094 0.000 2.427 272 F HA 0.622 5.149 4.527 -0.001 0.000 0.346 272 F C -0.512 175.195 175.800 -0.156 0.000 1.120 272 F CA -0.511 57.444 58.000 -0.075 0.000 1.033 272 F CB 0.895 39.890 39.000 -0.008 0.000 1.126 272 F HN 0.206 nan 8.300 nan 0.000 0.462 273 I N 6.212 126.363 120.570 -0.698 0.000 2.404 273 I HA 0.373 4.542 4.170 -0.001 0.000 0.293 273 I C -0.849 174.787 176.117 -0.802 0.000 0.992 273 I CA -0.580 60.364 61.300 -0.593 0.000 1.149 273 I CB 1.781 39.495 38.000 -0.476 0.000 1.315 273 I HN 0.620 nan 8.210 nan 0.000 0.446 274 Q N 6.554 125.959 119.800 -0.659 0.000 2.456 274 Q HA 0.627 4.966 4.340 -0.001 0.000 0.284 274 Q C -3.003 172.547 176.000 -0.750 0.000 1.061 274 Q CA -2.227 53.001 55.803 -0.960 0.000 0.799 274 Q CB 2.576 30.650 28.738 -1.106 0.000 1.445 274 Q HN 0.171 nan 8.270 nan 0.000 0.411 275 P HA 0.230 nan 4.420 nan 0.000 0.269 275 P C -0.037 177.064 177.300 -0.332 0.000 1.215 275 P CA 1.935 64.755 63.100 -0.467 0.000 0.780 275 P CB 0.815 32.298 31.700 -0.361 0.000 0.898 276 T N -0.539 113.878 114.554 -0.228 0.000 5.601 276 T HA -0.006 4.343 4.350 -0.001 0.000 0.270 276 T C -2.506 172.119 174.700 -0.125 0.000 2.207 276 T CA -0.240 61.769 62.100 -0.152 0.000 3.784 276 T CB -2.420 66.363 68.868 -0.141 0.000 0.428 276 T HN 0.416 nan 8.240 nan 0.000 0.338 277 P HA 0.815 nan 4.420 nan 0.000 0.290 277 P C -1.165 176.018 177.300 -0.195 0.000 1.283 277 P CA -0.686 62.279 63.100 -0.226 0.000 0.869 277 P CB 1.501 33.041 31.700 -0.267 0.000 1.100 278 I N 1.571 122.005 120.570 -0.227 0.000 2.418 278 I HA 0.288 4.458 4.170 -0.001 0.000 0.287 278 I C 0.045 176.059 176.117 -0.173 0.000 1.008 278 I CA -1.102 60.097 61.300 -0.169 0.000 1.104 278 I CB 2.149 40.073 38.000 -0.127 0.000 1.264 278 I HN 0.064 nan 8.210 nan 0.000 0.438 279 V N 6.305 126.127 119.914 -0.154 0.000 2.539 279 V HA 0.599 4.719 4.120 -0.001 0.000 0.292 279 V C -0.226 175.838 176.094 -0.050 0.000 1.045 279 V CA 0.307 62.499 62.300 -0.179 0.000 0.945 279 V CB 1.882 33.530 31.823 -0.293 0.000 0.993 279 V HN 0.797 nan 8.190 nan 0.000 0.464 280 T N 6.657 121.191 114.554 -0.035 0.000 2.879 280 T HA 0.534 4.884 4.350 -0.001 0.000 0.290 280 T C -1.281 173.446 174.700 0.046 0.000 0.993 280 T CA -0.046 62.114 62.100 0.100 0.000 0.975 280 T CB 1.028 70.000 68.868 0.174 0.000 0.981 280 T HN 0.555 nan 8.240 nan 0.000 0.439 281 Y N 2.258 122.661 120.300 0.171 0.000 2.328 281 Y HA 0.523 5.073 4.550 -0.001 0.000 0.337 281 Y C 1.001 176.924 175.900 0.038 0.000 1.008 281 Y CA -1.074 57.122 58.100 0.161 0.000 1.129 281 Y CB 1.166 39.775 38.460 0.250 0.000 1.185 281 Y HN 0.255 nan 8.280 nan 0.000 0.476 282 R N 3.103 123.684 120.500 0.134 0.000 2.388 282 R HA 0.601 4.941 4.340 -0.001 0.000 0.314 282 R C -1.457 174.847 176.300 0.006 0.000 0.959 282 R CA -0.827 55.205 56.100 -0.113 0.000 0.851 282 R CB 2.147 32.422 30.300 -0.041 0.000 1.168 282 R HN 0.506 nan 8.270 nan 0.000 0.472 283 V N 1.866 121.694 119.914 -0.143 0.000 2.789 283 V HA 0.334 4.454 4.120 -0.001 0.000 0.311 283 V C 0.834 176.931 176.094 0.005 0.000 1.073 283 V CA -0.398 61.909 62.300 0.011 0.000 0.921 283 V CB 2.242 34.087 31.823 0.036 0.000 1.009 283 V HN 0.897 nan 8.190 nan 0.000 0.426 284 T N 1.892 116.493 114.554 0.077 0.000 3.129 284 T HA 0.600 4.950 4.350 -0.001 0.000 0.251 284 T C 0.721 175.524 174.700 0.171 0.000 1.117 284 T CA 0.574 62.752 62.100 0.130 0.000 1.034 284 T CB -0.218 68.648 68.868 -0.003 0.000 0.968 284 T HN 1.643 nan 8.240 nan 0.000 0.526 285 G N -1.177 107.685 108.800 0.103 0.000 2.427 285 G HA2 0.557 4.517 3.960 -0.001 0.000 0.306 285 G HA3 0.557 4.517 3.960 -0.001 0.000 0.306 285 G C 0.048 175.009 174.900 0.102 0.000 1.280 285 G CA -0.129 45.068 45.100 0.163 0.000 0.837 285 G HN 0.995 nan 8.290 nan 0.000 0.482 286 G N -1.009 107.898 108.800 0.179 0.000 2.601 286 G HA2 0.235 4.195 3.960 -0.001 0.000 0.252 286 G HA3 0.235 4.195 3.960 -0.001 0.000 0.252 286 G C 0.281 175.206 174.900 0.042 0.000 1.294 286 G CA 0.989 46.198 45.100 0.181 0.000 0.912 286 G HN 2.064 nan 8.290 nan 0.000 0.574 287 I N -2.697 117.884 120.570 0.018 0.000 3.237 287 I HA 0.818 4.987 4.170 -0.001 0.000 0.308 287 I C 0.129 176.242 176.117 -0.006 0.000 1.093 287 I CA -1.526 59.810 61.300 0.060 0.000 1.001 287 I CB 1.714 39.772 38.000 0.098 0.000 1.245 287 I HN 0.529 nan 8.210 nan 0.000 0.485 288 L N 1.818 123.103 121.223 0.103 0.000 2.262 288 L HA 0.426 4.765 4.340 -0.001 0.000 0.288 288 L C -1.187 175.595 176.870 -0.146 0.000 1.035 288 L CA -0.026 54.821 54.840 0.010 0.000 0.820 288 L CB 0.749 42.989 42.059 0.301 0.000 1.204 288 L HN 0.601 nan 8.230 nan 0.000 0.424 289 D N 3.887 124.019 120.400 -0.446 0.000 2.420 289 D HA 0.345 4.985 4.640 -0.001 0.000 0.255 289 D C -1.101 174.695 176.300 -0.839 0.000 1.185 289 D CA -0.166 53.509 54.000 -0.541 0.000 0.904 289 D CB 0.618 41.183 40.800 -0.392 0.000 1.102 289 D HN 0.038 nan 8.370 nan 0.000 0.534 290 F N 2.431 121.777 119.950 -1.006 0.000 2.443 290 F HA 0.452 4.979 4.527 -0.000 0.000 0.335 290 F C -0.196 175.018 175.800 -0.977 0.000 1.104 290 F CA -0.647 56.757 58.000 -0.993 0.000 1.013 290 F CB 1.224 39.416 39.000 -1.346 0.000 1.136 290 F HN 0.174 nan 8.300 nan 0.000 0.470 291 Y N 3.367 123.497 120.300 -0.284 0.000 2.377 291 Y HA 0.639 5.189 4.550 -0.000 0.000 0.339 291 Y C -0.366 175.491 175.900 -0.071 0.000 1.011 291 Y CA -0.852 57.141 58.100 -0.178 0.000 1.093 291 Y CB 1.581 40.032 38.460 -0.015 0.000 1.201 291 Y HN 0.316 nan 8.280 nan 0.000 0.455 292 I N 4.541 125.139 120.570 0.047 0.000 2.436 292 I HA 0.347 4.517 4.170 -0.001 0.000 0.289 292 I C -1.447 174.731 176.117 0.102 0.000 1.010 292 I CA -0.656 60.683 61.300 0.065 0.000 1.098 292 I CB 1.363 39.338 38.000 -0.042 0.000 1.266 292 I HN 0.321 nan 8.210 nan 0.000 0.434 293 L N 7.538 128.871 121.223 0.184 0.000 2.342 293 L HA 0.479 4.819 4.340 -0.001 0.000 0.276 293 L C -0.591 176.402 176.870 0.206 0.000 0.997 293 L CA -0.242 54.702 54.840 0.173 0.000 0.838 293 L CB 1.180 43.349 42.059 0.183 0.000 1.224 293 L HN 0.361 nan 8.230 nan 0.000 0.416 294 L N 2.373 123.702 121.223 0.176 0.000 2.399 294 L HA 0.903 5.243 4.340 -0.001 0.000 0.266 294 L C 0.789 177.732 176.870 0.121 0.000 1.114 294 L CA 0.248 55.195 54.840 0.178 0.000 0.804 294 L CB 1.459 43.622 42.059 0.174 0.000 1.146 294 L HN 0.705 nan 8.230 nan 0.000 0.451 295 G N 0.125 108.978 108.800 0.089 0.000 2.698 295 G HA2 0.345 4.305 3.960 -0.001 0.000 0.293 295 G HA3 0.345 4.305 3.960 -0.001 0.000 0.293 295 G C -0.486 174.405 174.900 -0.016 0.000 1.437 295 G CA -0.410 44.705 45.100 0.025 0.000 0.852 295 G HN 0.460 nan 8.290 nan 0.000 0.499 296 D N -0.361 120.014 120.400 -0.041 0.000 2.234 296 D HA 0.086 4.725 4.640 -0.001 0.000 0.205 296 D C 1.567 177.762 176.300 -0.175 0.000 0.962 296 D CA 1.715 55.673 54.000 -0.069 0.000 0.855 296 D CB 0.457 41.234 40.800 -0.038 0.000 0.951 296 D HN 0.608 nan 8.370 nan 0.000 0.500 297 T N -3.820 110.605 114.554 -0.214 0.000 2.883 297 T HA 0.393 4.742 4.350 -0.001 0.000 0.296 297 T C -2.422 172.073 174.700 -0.341 0.000 1.117 297 T CA -1.751 60.111 62.100 -0.397 0.000 1.006 297 T CB 2.450 71.137 68.868 -0.302 0.000 1.191 297 T HN -0.385 nan 8.240 nan 0.000 0.508 298 P HA -0.049 nan 4.420 nan 0.000 0.216 298 P C 1.570 178.585 177.300 -0.475 0.000 1.150 298 P CA 0.815 63.627 63.100 -0.480 0.000 0.837 298 P CB 0.118 31.416 31.700 -0.669 0.000 0.786 299 E N -0.229 119.703 120.200 -0.446 0.000 2.130 299 E HA -0.257 4.093 4.350 -0.001 0.000 0.196 299 E C 2.048 178.597 176.600 -0.085 0.000 0.998 299 E CA 1.254 57.542 56.400 -0.187 0.000 0.806 299 E CB -0.363 29.316 29.700 -0.036 0.000 0.738 299 E HN 0.401 nan 8.360 nan 0.000 0.459 300 Q N 0.208 119.948 119.800 -0.099 0.000 2.172 300 Q HA -0.091 4.249 4.340 -0.001 0.000 0.200 300 Q C 2.195 178.181 176.000 -0.022 0.000 0.964 300 Q CA 0.864 56.637 55.803 -0.050 0.000 0.855 300 Q CB 0.293 28.999 28.738 -0.053 0.000 0.918 300 Q HN 0.078 nan 8.270 nan 0.000 0.444 301 V N -0.189 119.709 119.914 -0.026 0.000 2.307 301 V HA -0.226 3.894 4.120 -0.001 0.000 0.245 301 V C 2.244 178.390 176.094 0.087 0.000 1.045 301 V CA 1.391 63.718 62.300 0.046 0.000 1.024 301 V CB -0.391 31.461 31.823 0.048 0.000 0.651 301 V HN 0.232 nan 8.190 nan 0.000 0.449 302 V N -0.370 119.594 119.914 0.084 0.000 2.392 302 V HA -0.338 3.782 4.120 -0.001 0.000 0.249 302 V C 2.476 178.583 176.094 0.023 0.000 1.059 302 V CA 2.061 64.421 62.300 0.101 0.000 1.051 302 V CB -0.720 31.198 31.823 0.158 0.000 0.658 302 V HN 0.594 nan 8.190 nan 0.000 0.455 303 Q N -0.972 118.830 119.800 0.003 0.000 2.084 303 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 303 Q C 2.472 178.433 176.000 -0.065 0.000 0.978 303 Q CA 1.371 57.156 55.803 -0.032 0.000 0.844 303 Q CB -0.189 28.541 28.738 -0.013 0.000 0.898 303 Q HN 0.575 nan 8.270 nan 0.000 0.426 304 Q N -0.434 119.345 119.800 -0.036 0.000 2.124 304 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 304 Q C 1.814 177.745 176.000 -0.116 0.000 0.977 304 Q CA 1.217 56.992 55.803 -0.047 0.000 0.850 304 Q CB -0.270 28.476 28.738 0.012 0.000 0.901 304 Q HN 0.479 nan 8.270 nan 0.000 0.429 305 Y N 1.416 121.543 120.300 -0.289 0.000 2.163 305 Y HA -0.209 4.340 4.550 -0.001 0.000 0.288 305 Y C 2.212 177.813 175.900 -0.498 0.000 1.136 305 Y CA 1.824 59.612 58.100 -0.521 0.000 1.147 305 Y CB -0.100 37.778 38.460 -0.970 0.000 0.987 305 Y HN 0.100 nan 8.280 nan 0.000 0.509 306 Q N -0.398 119.111 119.800 -0.484 0.000 2.167 306 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 306 Q C 2.586 178.302 176.000 -0.474 0.000 0.970 306 Q CA 1.949 57.436 55.803 -0.527 0.000 0.855 306 Q CB -0.265 28.288 28.738 -0.307 0.000 0.911 306 Q HN 0.745 nan 8.270 nan 0.000 0.438 307 Q N 0.758 120.362 119.800 -0.327 0.000 2.030 307 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 307 Q C 1.991 177.838 176.000 -0.255 0.000 0.986 307 Q CA 1.842 57.505 55.803 -0.233 0.000 0.843 307 Q CB -1.131 27.525 28.738 -0.138 0.000 0.904 307 Q HN 0.450 nan 8.270 nan 0.000 0.420 308 L N -0.193 120.819 121.223 -0.352 0.000 1.994 308 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 308 L C 2.408 179.003 176.870 -0.458 0.000 1.071 308 L CA 2.308 56.911 54.840 -0.395 0.000 0.745 308 L CB -0.373 41.363 42.059 -0.539 0.000 0.892 308 L HN 0.271 nan 8.230 nan 0.000 0.431 309 V N -0.481 118.977 119.914 -0.758 0.000 2.992 309 V HA 0.435 4.555 4.120 -0.001 0.000 0.250 309 V C 0.883 176.502 176.094 -0.791 0.000 1.090 309 V CA 0.640 62.449 62.300 -0.819 0.000 1.101 309 V CB -0.470 30.620 31.823 -1.221 0.000 0.743 309 V HN 0.723 nan 8.190 nan 0.000 0.468 310 G N -0.037 108.181 108.800 -0.971 0.000 2.634 310 G HA2 0.051 4.011 3.960 -0.001 0.000 0.568 310 G HA3 0.051 4.011 3.960 -0.001 0.000 0.568 310 G C -1.132 173.356 174.900 -0.687 0.000 1.495 310 G CA -0.993 43.377 45.100 -1.217 0.000 0.903 310 G HN 0.126 nan 8.290 nan 0.000 0.646 311 L N 3.551 124.429 121.223 -0.575 0.000 2.395 311 L HA 0.485 4.825 4.340 -0.001 0.000 0.269 311 L C -1.264 175.407 176.870 -0.331 0.000 1.133 311 L CA -1.799 52.793 54.840 -0.414 0.000 0.812 311 L CB 1.110 42.907 42.059 -0.437 0.000 1.125 311 L HN 0.411 nan 8.230 nan 0.000 0.452 312 P HA 0.066 nan 4.420 nan 0.000 0.269 312 P C -0.775 176.525 177.300 -0.000 0.000 1.215 312 P CA -0.445 62.592 63.100 -0.105 0.000 0.780 312 P CB 0.685 32.367 31.700 -0.030 0.000 0.898 313 A N 3.110 125.927 122.820 -0.006 0.000 2.498 313 A HA 0.242 4.562 4.320 -0.001 0.000 0.239 313 A C 0.537 178.125 177.584 0.008 0.000 1.068 313 A CA -0.221 51.840 52.037 0.041 0.000 0.766 313 A CB -0.433 18.542 19.000 -0.041 0.000 1.003 313 A HN 0.635 nan 8.150 nan 0.000 0.497 314 M N 4.942 124.437 119.600 -0.175 0.000 2.188 314 M HA 0.332 4.812 4.480 -0.001 0.000 0.354 314 M C -2.018 174.116 176.300 -0.275 0.000 1.342 314 M CA -1.479 53.606 55.300 -0.357 0.000 1.117 314 M CB 0.593 32.757 32.600 -0.726 0.000 1.670 314 M HN 0.487 nan 8.290 nan 0.000 0.466 315 P HA 0.319 nan 4.420 nan 0.000 0.276 315 P C -1.355 175.814 177.300 -0.218 0.000 1.261 315 P CA -0.580 62.318 63.100 -0.337 0.000 0.800 315 P CB 0.495 31.843 31.700 -0.586 0.000 1.066 316 A N 0.707 123.366 122.820 -0.269 0.000 2.407 316 A HA 0.055 4.375 4.320 -0.001 0.000 0.248 316 A C 1.076 178.542 177.584 -0.198 0.000 1.082 316 A CA -0.251 51.662 52.037 -0.206 0.000 0.785 316 A CB -0.623 18.140 19.000 -0.394 0.000 1.020 316 A HN 0.673 nan 8.150 nan 0.000 0.489 317 Y N 1.543 121.750 120.300 -0.156 0.000 2.151 317 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 317 Y C 2.154 177.957 175.900 -0.161 0.000 1.166 317 Y CA 2.947 60.895 58.100 -0.253 0.000 1.163 317 Y CB -0.098 38.092 38.460 -0.450 0.000 0.974 317 Y HN 0.883 nan 8.280 nan 0.000 0.511 318 W N 0.072 121.383 121.300 0.018 0.000 2.525 318 W HA -0.130 4.529 4.660 -0.000 0.000 0.259 318 W C 1.025 177.444 176.519 -0.166 0.000 1.253 318 W CA 0.871 58.189 57.345 -0.045 0.000 1.262 318 W CB -1.221 28.222 29.460 -0.028 0.000 1.122 318 W HN 0.128 nan 8.180 nan 0.000 0.607 319 N N 2.013 120.206 118.700 -0.847 0.000 2.272 319 N HA -0.155 4.585 4.740 -0.001 0.000 0.185 319 N C 1.787 177.055 175.510 -0.405 0.000 1.014 319 N CA 1.809 54.364 53.050 -0.824 0.000 0.870 319 N CB -0.865 37.209 38.487 -0.688 0.000 0.975 319 N HN 0.344 nan 8.380 nan 0.000 0.433 320 L N -0.520 120.493 121.223 -0.349 0.000 2.492 320 L HA 0.197 4.537 4.340 -0.001 0.000 0.223 320 L C 1.365 178.095 176.870 -0.233 0.000 1.132 320 L CA -0.254 54.425 54.840 -0.268 0.000 0.850 320 L CB -0.610 41.235 42.059 -0.356 0.000 0.966 320 L HN 0.007 nan 8.230 nan 0.000 0.454 321 G N -0.241 108.450 108.800 -0.181 0.000 2.594 321 G HA2 0.102 4.062 3.960 -0.001 0.000 0.243 321 G HA3 0.102 4.062 3.960 -0.001 0.000 0.243 321 G C -0.696 174.278 174.900 0.122 0.000 1.229 321 G CA -0.405 44.667 45.100 -0.046 0.000 0.843 321 G HN -0.067 nan 8.290 nan 0.000 0.578 322 F N 0.275 120.345 119.950 0.199 0.000 2.518 322 F HA 0.298 4.825 4.527 -0.001 0.000 0.359 322 F C 0.706 176.598 175.800 0.154 0.000 1.118 322 F CA 0.035 58.126 58.000 0.151 0.000 1.287 322 F CB 0.770 39.926 39.000 0.260 0.000 1.132 322 F HN 0.379 nan 8.300 nan 0.000 0.587 323 Q N 5.851 125.161 119.800 -0.817 0.000 2.365 323 Q HA 0.539 4.879 4.340 -0.001 0.000 0.269 323 Q C -1.325 174.193 176.000 -0.803 0.000 1.061 323 Q CA -0.962 54.513 55.803 -0.547 0.000 0.816 323 Q CB 2.835 31.331 28.738 -0.404 0.000 1.325 323 Q HN 0.623 nan 8.270 nan 0.000 0.446 324 L N 0.900 121.940 121.223 -0.304 0.000 2.331 324 L HA 0.755 5.095 4.340 -0.001 0.000 0.275 324 L C -0.213 176.699 176.870 0.070 0.000 1.022 324 L CA -0.485 54.255 54.840 -0.167 0.000 0.812 324 L CB 1.995 43.985 42.059 -0.116 0.000 1.257 324 L HN 0.618 nan 8.230 nan 0.000 0.435 325 S N 1.653 117.457 115.700 0.173 0.000 2.597 325 S HA 0.730 5.200 4.470 -0.001 0.000 0.274 325 S C -1.736 173.032 174.600 0.280 0.000 1.132 325 S CA -0.796 57.608 58.200 0.340 0.000 0.835 325 S CB 1.703 65.035 63.200 0.220 0.000 1.092 325 S HN 0.775 nan 8.310 nan 0.000 0.457 326 R N 1.123 121.717 120.500 0.156 0.000 2.687 326 R HA 0.472 4.812 4.340 -0.001 0.000 0.265 326 R C -2.205 174.108 176.300 0.021 0.000 1.048 326 R CA -0.882 55.107 56.100 -0.184 0.000 0.884 326 R CB 0.006 29.951 30.300 -0.591 0.000 1.258 326 R HN 0.523 nan 8.270 nan 0.000 0.469 327 W N 4.463 125.661 121.300 -0.170 0.000 2.311 327 W HA 0.355 5.015 4.660 -0.001 0.000 0.310 327 W C -0.326 176.086 176.519 -0.180 0.000 1.274 327 W CA -0.139 57.177 57.345 -0.047 0.000 1.215 327 W CB 0.078 29.552 29.460 0.024 0.000 1.227 327 W HN 0.890 nan 8.180 nan 0.000 0.523 328 N N 5.160 123.919 118.700 0.099 0.000 2.522 328 N HA -0.285 4.455 4.740 -0.001 0.000 0.281 328 N C -0.404 175.047 175.510 -0.099 0.000 1.267 328 N CA 0.620 53.614 53.050 -0.094 0.000 0.675 328 N CB -1.516 36.699 38.487 -0.453 0.000 0.890 328 N HN 0.525 nan 8.380 nan 0.000 0.542 329 Y N 1.236 121.614 120.300 0.129 0.000 2.544 329 Y HA 0.079 4.628 4.550 -0.000 0.000 0.286 329 Y C 2.151 178.104 175.900 0.087 0.000 1.141 329 Y CA 1.860 60.034 58.100 0.123 0.000 1.299 329 Y CB -0.189 38.391 38.460 0.201 0.000 1.030 329 Y HN 0.727 nan 8.280 nan 0.000 0.543 330 K N 0.070 120.622 120.400 0.253 0.000 4.018 330 K HA -0.272 4.048 4.320 -0.001 0.000 0.416 330 K C 0.675 177.398 176.600 0.204 0.000 0.464 330 K CA 1.420 57.808 56.287 0.169 0.000 1.816 330 K CB -2.300 30.237 32.500 0.062 0.000 0.928 330 K HN 0.707 nan 8.250 nan 0.000 0.497 331 S N -1.931 113.817 115.700 0.081 0.000 2.565 331 S HA 0.669 5.138 4.470 -0.001 0.000 0.269 331 S C 0.438 174.646 174.600 -0.653 0.000 1.153 331 S CA 0.000 58.067 58.200 -0.223 0.000 0.835 331 S CB 1.609 64.735 63.200 -0.123 0.000 1.122 331 S HN 1.448 nan 8.310 nan 0.000 0.462 332 L N 1.359 121.902 121.223 -1.133 0.000 2.187 332 L HA 0.025 4.365 4.340 -0.001 0.000 0.213 332 L C 1.412 177.913 176.870 -0.615 0.000 1.100 332 L CA 2.133 56.319 54.840 -1.090 0.000 0.765 332 L CB -1.045 40.478 42.059 -0.893 0.000 0.904 332 L HN 0.822 nan 8.230 nan 0.000 0.437 333 D N -1.171 118.996 120.400 -0.389 0.000 2.117 333 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 333 D C 2.305 178.481 176.300 -0.206 0.000 0.982 333 D CA 1.498 55.354 54.000 -0.241 0.000 0.828 333 D CB -0.301 40.411 40.800 -0.147 0.000 0.967 333 D HN 0.253 nan 8.370 nan 0.000 0.464 334 V N 0.810 120.616 119.914 -0.180 0.000 2.358 334 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 334 V C 2.747 178.735 176.094 -0.177 0.000 1.047 334 V CA 1.722 63.973 62.300 -0.082 0.000 1.035 334 V CB -1.002 30.867 31.823 0.077 0.000 0.658 334 V HN 0.227 nan 8.190 nan 0.000 0.452 335 V N -0.001 119.672 119.914 -0.401 0.000 2.252 335 V HA -0.341 3.779 4.120 -0.001 0.000 0.249 335 V C 2.435 178.289 176.094 -0.400 0.000 1.056 335 V CA 3.064 64.966 62.300 -0.663 0.000 1.022 335 V CB -0.701 30.648 31.823 -0.789 0.000 0.641 335 V HN 0.422 nan 8.190 nan 0.000 0.445 336 K N -0.023 120.144 120.400 -0.388 0.000 2.032 336 K HA -0.165 4.155 4.320 -0.001 0.000 0.209 336 K C 2.430 178.993 176.600 -0.061 0.000 1.048 336 K CA 2.015 58.208 56.287 -0.157 0.000 0.927 336 K CB -0.363 32.043 32.500 -0.156 0.000 0.712 336 K HN 0.762 nan 8.250 nan 0.000 0.441 337 E N 0.842 120.988 120.200 -0.091 0.000 2.085 337 E HA -0.150 4.200 4.350 -0.001 0.000 0.194 337 E C 2.037 178.612 176.600 -0.041 0.000 0.994 337 E CA 1.776 58.143 56.400 -0.056 0.000 0.801 337 E CB -1.043 28.619 29.700 -0.064 0.000 0.743 337 E HN 0.139 nan 8.360 nan 0.000 0.453 338 V N 0.631 120.511 119.914 -0.057 0.000 2.295 338 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 338 V C 2.679 178.779 176.094 0.010 0.000 1.049 338 V CA 1.737 64.024 62.300 -0.022 0.000 1.024 338 V CB -0.260 31.582 31.823 0.032 0.000 0.648 338 V HN 0.516 nan 8.190 nan 0.000 0.447 339 V N 1.347 121.295 119.914 0.057 0.000 2.287 339 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 339 V C 2.642 178.819 176.094 0.139 0.000 1.053 339 V CA 2.698 65.106 62.300 0.180 0.000 1.027 339 V CB -0.939 31.040 31.823 0.261 0.000 0.646 339 V HN 0.745 nan 8.190 nan 0.000 0.447 340 R N 1.901 122.442 120.500 0.068 0.000 2.115 340 R HA -0.148 4.191 4.340 -0.001 0.000 0.226 340 R C 2.263 178.587 176.300 0.040 0.000 1.100 340 R CA 1.641 57.766 56.100 0.042 0.000 0.980 340 R CB -0.694 29.617 30.300 0.019 0.000 0.875 340 R HN 0.614 nan 8.270 nan 0.000 0.445 341 R N 0.142 120.658 120.500 0.027 0.000 2.148 341 R HA 0.070 4.410 4.340 -0.001 0.000 0.223 341 R C 1.344 177.663 176.300 0.032 0.000 1.088 341 R CA 1.485 57.598 56.100 0.020 0.000 0.985 341 R CB -0.432 29.872 30.300 0.006 0.000 0.880 341 R HN 0.272 nan 8.270 nan 0.000 0.451 342 N N 0.734 119.454 118.700 0.034 0.000 2.336 342 N HA 0.010 4.749 4.740 -0.001 0.000 0.177 342 N C 1.608 177.200 175.510 0.138 0.000 1.018 342 N CA 0.568 53.632 53.050 0.023 0.000 0.878 342 N CB 0.002 38.383 38.487 -0.178 0.000 0.997 342 N HN 0.301 nan 8.380 nan 0.000 0.433 343 R N 1.300 121.928 120.500 0.214 0.000 2.081 343 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 343 R C 1.952 178.311 176.300 0.098 0.000 1.131 343 R CA 1.031 57.243 56.100 0.188 0.000 0.960 343 R CB -0.211 30.151 30.300 0.103 0.000 0.856 343 R HN 0.403 nan 8.270 nan 0.000 0.436 344 E N 0.611 120.852 120.200 0.069 0.000 2.106 344 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 344 E C 1.488 178.110 176.600 0.037 0.000 0.984 344 E CA 1.060 57.486 56.400 0.043 0.000 0.806 344 E CB 0.027 29.745 29.700 0.030 0.000 0.750 344 E HN 0.341 nan 8.360 nan 0.000 0.458 345 A N 0.020 122.865 122.820 0.042 0.000 2.235 345 A HA 0.216 4.536 4.320 -0.001 0.000 0.208 345 A C 1.666 179.267 177.584 0.029 0.000 1.172 345 A CA 0.886 52.942 52.037 0.031 0.000 0.786 345 A CB -0.492 18.527 19.000 0.032 0.000 0.804 345 A HN 0.477 nan 8.150 nan 0.000 0.479 346 G N -0.668 108.158 108.800 0.043 0.000 2.143 346 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.248 346 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.248 346 G C 0.048 174.963 174.900 0.025 0.000 0.991 346 G CA 0.148 45.267 45.100 0.030 0.000 0.689 346 G HN 0.346 nan 8.290 nan 0.000 0.522 347 I N 1.511 122.117 120.570 0.061 0.000 2.517 347 I HA 0.172 4.342 4.170 -0.001 0.000 0.285 347 I C -1.803 174.397 176.117 0.139 0.000 1.106 347 I CA -2.282 59.052 61.300 0.056 0.000 1.402 347 I CB 0.392 38.420 38.000 0.048 0.000 1.399 347 I HN -0.091 nan 8.210 nan 0.000 0.535 348 P HA 0.189 nan 4.420 nan 0.000 0.269 348 P C -0.894 176.539 177.300 0.221 0.000 1.252 348 P CA 0.159 63.153 63.100 -0.176 0.000 0.780 348 P CB -0.140 31.120 31.700 -0.734 0.000 0.829 349 F N 0.460 120.467 119.950 0.095 0.000 2.605 349 F HA 0.472 4.999 4.527 -0.001 0.000 0.320 349 F C -0.017 175.911 175.800 0.213 0.000 1.159 349 F CA -0.894 57.287 58.000 0.302 0.000 0.999 349 F CB 1.374 40.606 39.000 0.386 0.000 1.258 349 F HN -0.025 nan 8.300 nan 0.000 0.464 350 D N 1.214 121.743 120.400 0.215 0.000 2.183 350 D HA 0.048 4.687 4.640 -0.001 0.000 0.205 350 D C 0.697 176.975 176.300 -0.036 0.000 0.962 350 D CA 1.780 55.823 54.000 0.072 0.000 0.849 350 D CB 0.479 41.422 40.800 0.239 0.000 0.978 350 D HN 0.668 nan 8.370 nan 0.000 0.488 351 T N -1.217 113.387 114.554 0.084 0.000 2.900 351 T HA 0.502 4.852 4.350 -0.001 0.000 0.295 351 T C -1.471 173.347 174.700 0.197 0.000 1.044 351 T CA -0.886 61.269 62.100 0.092 0.000 0.995 351 T CB 1.843 70.801 68.868 0.151 0.000 1.072 351 T HN -0.204 nan 8.240 nan 0.000 0.473 352 Q N 2.798 122.727 119.800 0.214 0.000 2.341 352 Q HA 0.685 5.024 4.340 -0.001 0.000 0.268 352 Q C -0.738 175.429 176.000 0.278 0.000 1.013 352 Q CA -0.560 55.431 55.803 0.314 0.000 0.798 352 Q CB 0.980 29.956 28.738 0.398 0.000 1.253 352 Q HN 0.982 nan 8.270 nan 0.000 0.457 353 V N 2.367 122.418 119.914 0.228 0.000 2.863 353 V HA 0.847 4.967 4.120 -0.001 0.000 0.307 353 V C -0.123 176.181 176.094 0.350 0.000 1.061 353 V CA -0.271 62.148 62.300 0.198 0.000 1.024 353 V CB 2.169 34.062 31.823 0.116 0.000 1.049 353 V HN 0.713 nan 8.190 nan 0.000 0.471 354 T N 2.797 117.534 114.554 0.305 0.000 3.031 354 T HA 0.379 4.729 4.350 -0.001 0.000 0.305 354 T C -0.598 174.352 174.700 0.417 0.000 0.985 354 T CA -0.358 61.996 62.100 0.423 0.000 1.008 354 T CB 0.678 69.777 68.868 0.385 0.000 1.005 354 T HN 0.990 nan 8.240 nan 0.000 0.444 355 D N 1.775 122.454 120.400 0.465 0.000 2.376 355 D HA 0.201 4.840 4.640 -0.001 0.000 0.268 355 D C 1.973 178.371 176.300 0.164 0.000 1.252 355 D CA -0.433 53.733 54.000 0.277 0.000 1.041 355 D CB 0.641 41.645 40.800 0.339 0.000 1.109 355 D HN 0.670 nan 8.370 nan 0.000 0.552 356 I N -1.226 119.275 120.570 -0.115 0.000 2.850 356 I HA -0.169 4.001 4.170 -0.001 0.000 0.266 356 I C 1.289 177.260 176.117 -0.243 0.000 1.257 356 I CA 0.906 62.026 61.300 -0.300 0.000 1.465 356 I CB -0.444 37.271 38.000 -0.474 0.000 1.091 356 I HN 0.169 nan 8.210 nan 0.000 0.467 357 D N 1.775 122.159 120.400 -0.027 0.000 2.310 357 D HA -0.283 4.357 4.640 -0.001 0.000 0.212 357 D C 2.039 178.172 176.300 -0.278 0.000 0.965 357 D CA 1.204 55.197 54.000 -0.011 0.000 0.879 357 D CB -0.795 40.118 40.800 0.189 0.000 0.921 357 D HN 0.742 nan 8.370 nan 0.000 0.510 358 Y N 0.952 120.944 120.300 -0.512 0.000 2.352 358 Y HA 0.108 4.658 4.550 -0.001 0.000 0.292 358 Y C 1.255 176.906 175.900 -0.415 0.000 1.136 358 Y CA -0.289 57.188 58.100 -1.039 0.000 1.227 358 Y CB -0.562 37.574 38.460 -0.539 0.000 0.991 358 Y HN -0.194 nan 8.280 nan 0.000 0.545 359 M N 1.500 120.606 119.600 -0.824 0.000 2.227 359 M HA 0.100 4.580 4.480 -0.001 0.000 0.316 359 M C 0.123 176.297 176.300 -0.211 0.000 1.144 359 M CA -0.204 54.763 55.300 -0.554 0.000 1.121 359 M CB 0.631 32.825 32.600 -0.677 0.000 1.440 359 M HN 0.145 nan 8.290 nan 0.000 0.473 360 E N 1.566 121.701 120.200 -0.110 0.000 2.129 360 E HA -0.012 4.338 4.350 -0.001 0.000 0.283 360 E C -0.809 175.732 176.600 -0.098 0.000 1.080 360 E CA -0.201 56.161 56.400 -0.063 0.000 0.867 360 E CB 0.249 29.927 29.700 -0.037 0.000 1.056 360 E HN 0.595 nan 8.360 nan 0.000 0.404 361 D N 4.892 125.251 120.400 -0.069 0.000 2.701 361 D HA -0.229 4.411 4.640 -0.001 0.000 0.235 361 D C -0.368 175.880 176.300 -0.087 0.000 1.155 361 D CA 1.290 55.252 54.000 -0.063 0.000 0.649 361 D CB -0.781 39.978 40.800 -0.068 0.000 1.050 361 D HN 0.793 nan 8.370 nan 0.000 0.425 362 K N -2.107 118.222 120.400 -0.119 0.000 3.088 362 K HA -0.268 4.052 4.320 -0.001 0.000 0.273 362 K C 0.160 176.666 176.600 -0.158 0.000 1.111 362 K CA 1.027 57.228 56.287 -0.142 0.000 0.803 362 K CB -1.109 31.380 32.500 -0.018 0.000 1.226 362 K HN 0.339 nan 8.250 nan 0.000 0.485 363 K N 1.590 121.870 120.400 -0.201 0.000 2.227 363 K HA 0.127 4.447 4.320 -0.001 0.000 0.280 363 K C -0.217 176.285 176.600 -0.163 0.000 1.041 363 K CA -0.680 55.479 56.287 -0.214 0.000 0.905 363 K CB 0.814 33.096 32.500 -0.364 0.000 1.068 363 K HN 0.014 nan 8.250 nan 0.000 0.470 364 D N 1.816 122.163 120.400 -0.087 0.000 2.506 364 D HA -0.076 4.564 4.640 -0.001 0.000 0.234 364 D C -0.114 176.100 176.300 -0.144 0.000 1.143 364 D CA 0.831 54.677 54.000 -0.257 0.000 0.871 364 D CB 0.104 40.783 40.800 -0.202 0.000 1.190 364 D HN 0.442 nan 8.370 nan 0.000 0.459 365 F N -1.353 118.349 119.950 -0.414 0.000 3.018 365 F HA -0.270 4.257 4.527 -0.001 0.000 0.287 365 F C 0.810 176.355 175.800 -0.424 0.000 0.813 365 F CA 0.889 58.384 58.000 -0.841 0.000 1.209 365 F CB -2.559 36.212 39.000 -0.383 0.000 1.321 365 F HN 0.324 nan 8.300 nan 0.000 0.477 366 T N -2.600 111.927 114.554 -0.045 0.000 2.838 366 T HA 0.814 5.163 4.350 -0.001 0.000 0.292 366 T C -0.838 174.132 174.700 0.450 0.000 1.113 366 T CA -0.520 61.749 62.100 0.282 0.000 1.008 366 T CB 3.196 72.145 68.868 0.137 0.000 1.259 366 T HN 0.606 nan 8.240 nan 0.000 0.520 367 Y N -1.065 119.441 120.300 0.344 0.000 2.553 367 Y HA 0.685 5.235 4.550 -0.001 0.000 0.347 367 Y C -0.943 175.061 175.900 0.173 0.000 1.019 367 Y CA -1.410 56.856 58.100 0.278 0.000 1.032 367 Y CB 1.151 39.885 38.460 0.456 0.000 1.284 367 Y HN 0.633 nan 8.280 nan 0.000 0.466 368 D N 2.940 123.502 120.400 0.270 0.000 2.349 368 D HA 0.022 4.662 4.640 -0.001 0.000 0.266 368 D C 0.645 177.091 176.300 0.244 0.000 1.293 368 D CA 0.431 54.542 54.000 0.185 0.000 0.926 368 D CB 0.989 41.916 40.800 0.211 0.000 1.090 368 D HN 0.681 nan 8.370 nan 0.000 0.502 369 Q N 2.559 122.372 119.800 0.021 0.000 2.364 369 Q HA -0.058 4.282 4.340 -0.001 0.000 0.207 369 Q C 1.482 177.554 176.000 0.121 0.000 0.970 369 Q CA 0.643 56.454 55.803 0.014 0.000 0.888 369 Q CB 0.346 29.037 28.738 -0.078 0.000 0.951 369 Q HN 0.444 nan 8.270 nan 0.000 0.469 370 V N 0.256 120.246 119.914 0.127 0.000 2.465 370 V HA -0.013 4.106 4.120 -0.001 0.000 0.230 370 V C 2.105 178.283 176.094 0.141 0.000 1.084 370 V CA 1.499 63.866 62.300 0.112 0.000 1.092 370 V CB -0.975 30.895 31.823 0.078 0.000 0.730 370 V HN 0.245 nan 8.190 nan 0.000 0.491 371 A N -1.388 121.539 122.820 0.178 0.000 2.066 371 A HA 0.026 4.346 4.320 -0.001 0.000 0.218 371 A C 1.480 179.148 177.584 0.141 0.000 1.157 371 A CA 1.183 53.313 52.037 0.155 0.000 0.670 371 A CB -0.435 18.676 19.000 0.185 0.000 0.804 371 A HN 0.491 nan 8.150 nan 0.000 0.453 372 F N 0.314 120.349 119.950 0.141 0.000 2.923 372 F HA 0.282 4.809 4.527 -0.001 0.000 0.314 372 F C 0.417 176.351 175.800 0.222 0.000 1.196 372 F CA -1.123 56.975 58.000 0.163 0.000 1.320 372 F CB -0.360 38.796 39.000 0.260 0.000 0.953 372 F HN 0.117 nan 8.300 nan 0.000 0.505 373 N N 0.636 119.483 118.700 0.244 0.000 2.468 373 N HA 0.377 5.116 4.740 -0.001 0.000 0.265 373 N C 0.985 176.573 175.510 0.130 0.000 1.199 373 N CA 1.473 54.654 53.050 0.218 0.000 0.928 373 N CB 0.587 39.149 38.487 0.126 0.000 1.059 373 N HN 0.513 nan 8.380 nan 0.000 0.467 374 G N 2.425 111.321 108.800 0.160 0.000 2.134 374 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.209 374 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.209 374 G C 0.644 175.567 174.900 0.038 0.000 0.993 374 G CA 0.214 45.362 45.100 0.080 0.000 0.669 374 G HN 0.568 nan 8.290 nan 0.000 0.519 375 L N 1.087 122.299 121.223 -0.017 0.000 2.012 375 L HA 0.112 4.452 4.340 -0.001 0.000 0.210 375 L C 0.307 177.106 176.870 -0.119 0.000 1.073 375 L CA 3.260 58.028 54.840 -0.120 0.000 0.748 375 L CB -0.747 41.066 42.059 -0.409 0.000 0.891 375 L HN 0.217 nan 8.230 nan 0.000 0.431 376 P HA -0.125 nan 4.420 nan 0.000 0.223 376 P C 1.261 178.521 177.300 -0.068 0.000 1.151 376 P CA 1.013 64.039 63.100 -0.125 0.000 0.787 376 P CB 0.077 31.724 31.700 -0.087 0.000 0.788 377 Q N -1.677 118.112 119.800 -0.017 0.000 2.083 377 Q HA -0.084 4.255 4.340 -0.001 0.000 0.198 377 Q C 1.863 177.864 176.000 0.002 0.000 0.969 377 Q CA 1.197 56.999 55.803 -0.001 0.000 0.838 377 Q CB -1.192 27.560 28.738 0.024 0.000 0.900 377 Q HN 0.247 nan 8.270 nan 0.000 0.436 378 F N 0.107 119.979 119.950 -0.130 0.000 2.113 378 F HA -0.185 4.341 4.527 -0.001 0.000 0.297 378 F C 1.786 177.455 175.800 -0.217 0.000 1.103 378 F CA 0.944 58.848 58.000 -0.160 0.000 1.248 378 F CB -0.365 38.526 39.000 -0.182 0.000 0.999 378 F HN -0.141 nan 8.300 nan 0.000 0.475 379 V N 0.731 120.426 119.914 -0.364 0.000 2.278 379 V HA -0.385 3.735 4.120 -0.001 0.000 0.251 379 V C 2.455 178.370 176.094 -0.298 0.000 1.062 379 V CA 2.314 64.313 62.300 -0.502 0.000 1.038 379 V CB -1.040 30.578 31.823 -0.342 0.000 0.646 379 V HN 0.435 nan 8.190 nan 0.000 0.447 380 Q N 0.692 120.417 119.800 -0.124 0.000 2.096 380 Q HA -0.262 4.078 4.340 -0.001 0.000 0.204 380 Q C 1.822 177.771 176.000 -0.085 0.000 0.982 380 Q CA 2.497 58.283 55.803 -0.029 0.000 0.850 380 Q CB -0.728 27.986 28.738 -0.040 0.000 0.901 380 Q HN 0.771 nan 8.270 nan 0.000 0.422 381 D N -1.012 119.287 120.400 -0.168 0.000 2.149 381 D HA -0.163 4.476 4.640 -0.001 0.000 0.198 381 D C 1.796 178.005 176.300 -0.151 0.000 0.990 381 D CA 1.338 55.263 54.000 -0.125 0.000 0.839 381 D CB -0.148 40.568 40.800 -0.141 0.000 0.948 381 D HN 0.382 nan 8.370 nan 0.000 0.460 382 L N -0.655 120.294 121.223 -0.458 0.000 1.994 382 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 382 L C 2.419 179.105 176.870 -0.308 0.000 1.071 382 L CA 1.619 56.170 54.840 -0.481 0.000 0.745 382 L CB -0.716 40.925 42.059 -0.698 0.000 0.892 382 L HN 0.266 nan 8.230 nan 0.000 0.431 383 H N -0.694 118.264 119.070 -0.187 0.000 2.387 383 H HA -0.170 4.386 4.556 -0.001 0.000 0.299 383 H C 1.864 177.123 175.328 -0.115 0.000 1.090 383 H CA 1.330 57.290 56.048 -0.146 0.000 1.332 383 H CB 0.008 29.687 29.762 -0.139 0.000 1.386 383 H HN 0.295 nan 8.280 nan 0.000 0.516 384 D N -0.092 120.310 120.400 0.004 0.000 2.218 384 D HA -0.110 4.530 4.640 -0.001 0.000 0.204 384 D C 1.084 177.265 176.300 -0.199 0.000 0.976 384 D CA 1.271 55.216 54.000 -0.092 0.000 0.853 384 D CB -0.143 40.584 40.800 -0.122 0.000 0.939 384 D HN 0.591 nan 8.370 nan 0.000 0.481 385 H N -1.172 117.826 119.070 -0.120 0.000 2.529 385 H HA 0.342 4.898 4.556 -0.001 0.000 0.277 385 H C 1.271 176.523 175.328 -0.128 0.000 1.004 385 H CA 0.465 56.439 56.048 -0.123 0.000 1.167 385 H CB 0.468 30.137 29.762 -0.155 0.000 1.445 385 H HN 0.096 nan 8.280 nan 0.000 0.554 386 G N 0.750 109.532 108.800 -0.031 0.000 2.176 386 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.252 386 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.252 386 G C 0.063 174.901 174.900 -0.105 0.000 1.024 386 G CA 0.057 45.126 45.100 -0.052 0.000 0.755 386 G HN 0.456 nan 8.290 nan 0.000 0.507 387 Q N -0.908 118.789 119.800 -0.173 0.000 2.252 387 Q HA 0.718 5.058 4.340 -0.001 0.000 0.256 387 Q C 0.092 175.883 176.000 -0.349 0.000 1.020 387 Q CA -0.839 54.807 55.803 -0.261 0.000 0.913 387 Q CB 1.276 29.812 28.738 -0.336 0.000 1.286 387 Q HN 0.148 nan 8.270 nan 0.000 0.480 388 K N 0.460 120.663 120.400 -0.329 0.000 2.350 388 K HA 0.429 4.749 4.320 -0.001 0.000 0.241 388 K C -1.547 174.972 176.600 -0.134 0.000 0.994 388 K CA -0.757 55.294 56.287 -0.392 0.000 0.839 388 K CB 1.713 33.781 32.500 -0.719 0.000 1.244 388 K HN 0.534 nan 8.250 nan 0.000 0.443 389 Y N 0.419 120.594 120.300 -0.208 0.000 2.346 389 Y HA 0.348 4.898 4.550 -0.000 0.000 0.332 389 Y C -1.357 174.630 175.900 0.145 0.000 0.985 389 Y CA -0.837 57.246 58.100 -0.028 0.000 1.112 389 Y CB 1.230 39.649 38.460 -0.068 0.000 1.170 389 Y HN 0.198 nan 8.280 nan 0.000 0.447 390 V N 7.998 127.785 119.914 -0.211 0.000 2.459 390 V HA 0.510 4.630 4.120 -0.001 0.000 0.295 390 V C -0.075 175.802 176.094 -0.361 0.000 1.029 390 V CA -0.751 61.495 62.300 -0.091 0.000 0.874 390 V CB 1.388 33.336 31.823 0.207 0.000 0.985 390 V HN 0.684 nan 8.190 nan 0.000 0.438 391 I N 2.537 122.937 120.570 -0.284 0.000 2.648 391 I HA 0.654 4.824 4.170 -0.001 0.000 0.304 391 I C -0.236 175.858 176.117 -0.037 0.000 1.009 391 I CA -0.694 60.425 61.300 -0.301 0.000 1.114 391 I CB 1.741 39.473 38.000 -0.447 0.000 1.293 391 I HN 0.536 nan 8.210 nan 0.000 0.449 392 I N 5.027 125.603 120.570 0.010 0.000 2.581 392 I HA 0.406 4.575 4.170 -0.001 0.000 0.288 392 I C -1.006 175.005 176.117 -0.178 0.000 1.047 392 I CA -0.453 60.703 61.300 -0.240 0.000 1.374 392 I CB 0.877 38.498 38.000 -0.631 0.000 1.423 392 I HN 0.543 nan 8.210 nan 0.000 0.549 393 L N 6.771 127.853 121.223 -0.235 0.000 2.409 393 L HA 0.465 4.804 4.340 -0.001 0.000 0.272 393 L C -1.170 175.657 176.870 -0.072 0.000 0.980 393 L CA -0.851 53.891 54.840 -0.164 0.000 0.826 393 L CB 1.855 43.862 42.059 -0.087 0.000 1.268 393 L HN 0.547 nan 8.230 nan 0.000 0.407 394 D N 3.580 123.962 120.400 -0.029 0.000 2.217 394 D HA 0.293 4.932 4.640 -0.001 0.000 0.248 394 D C -1.824 174.599 176.300 0.205 0.000 1.008 394 D CA -1.375 52.664 54.000 0.065 0.000 0.914 394 D CB 2.231 43.076 40.800 0.074 0.000 1.182 394 D HN 0.225 nan 8.370 nan 0.000 0.451 395 P HA 0.017 nan 4.420 nan 0.000 0.218 395 P C 0.077 177.584 177.300 0.346 0.000 1.152 395 P CA 0.585 63.917 63.100 0.386 0.000 0.826 395 P CB 0.213 32.242 31.700 0.549 0.000 0.790 396 A N 0.824 123.745 122.820 0.168 0.000 2.511 396 A HA 0.251 4.571 4.320 -0.001 0.000 0.242 396 A C 0.133 177.709 177.584 -0.013 0.000 1.069 396 A CA 0.533 52.510 52.037 -0.100 0.000 0.763 396 A CB -0.681 18.153 19.000 -0.277 0.000 1.001 396 A HN -0.001 nan 8.150 nan 0.000 0.498 397 I N 2.148 122.661 120.570 -0.094 0.000 2.406 397 I HA 0.217 4.387 4.170 -0.001 0.000 0.290 397 I C 0.774 176.790 176.117 -0.168 0.000 0.999 397 I CA -0.189 61.163 61.300 0.086 0.000 1.124 397 I CB 1.232 39.454 38.000 0.370 0.000 1.289 397 I HN 0.639 nan 8.210 nan 0.000 0.441 398 S N 5.204 120.841 115.700 -0.104 0.000 2.537 398 S HA 0.154 4.623 4.470 -0.001 0.000 0.286 398 S C 1.490 175.800 174.600 -0.483 0.000 1.299 398 S CA -0.418 57.602 58.200 -0.300 0.000 1.067 398 S CB 0.203 63.202 63.200 -0.336 0.000 0.864 398 S HN 0.509 nan 8.310 nan 0.000 0.494 399 I N 3.412 123.599 120.570 -0.639 0.000 3.111 399 I HA 0.308 4.478 4.170 -0.001 0.000 0.272 399 I C 1.216 177.053 176.117 -0.467 0.000 1.268 399 I CA -0.094 60.648 61.300 -0.930 0.000 1.467 399 I CB -0.823 36.811 38.000 -0.611 0.000 1.087 399 I HN 0.537 nan 8.210 nan 0.000 0.467 400 G N 1.129 109.756 108.800 -0.288 0.000 2.611 400 G HA2 0.592 4.551 3.960 -0.001 0.000 0.273 400 G HA3 0.592 4.551 3.960 -0.001 0.000 0.273 400 G C -0.079 174.797 174.900 -0.041 0.000 1.305 400 G CA -0.039 44.975 45.100 -0.143 0.000 1.010 400 G HN 0.608 nan 8.290 nan 0.000 0.509 401 R N -0.613 119.878 120.500 -0.015 0.000 2.598 401 R HA 0.703 5.043 4.340 -0.001 0.000 0.279 401 R C 0.573 176.868 176.300 -0.008 0.000 0.984 401 R CA -0.651 55.476 56.100 0.045 0.000 0.999 401 R CB 0.359 30.688 30.300 0.049 0.000 1.114 401 R HN 0.779 nan 8.270 nan 0.000 0.493 402 R N 0.531 121.059 120.500 0.047 0.000 2.919 402 R HA 0.370 4.710 4.340 -0.001 0.000 0.284 402 R C 1.861 178.165 176.300 0.006 0.000 1.104 402 R CA 1.302 57.414 56.100 0.019 0.000 1.207 402 R CB 0.220 30.578 30.300 0.097 0.000 1.162 402 R HN 0.892 nan 8.270 nan 0.000 0.561 403 A N 0.972 123.792 122.820 0.000 0.000 1.834 403 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 403 A C 1.084 178.675 177.584 0.010 0.000 1.203 403 A CA 1.703 53.739 52.037 -0.001 0.000 0.621 403 A CB -0.633 18.366 19.000 -0.002 0.000 0.841 403 A HN 0.706 nan 8.150 nan 0.000 0.446 404 N N 0.355 119.066 118.700 0.018 0.000 2.906 404 N HA 0.210 4.950 4.740 -0.001 0.000 0.282 404 N C 1.017 176.543 175.510 0.027 0.000 1.293 404 N CA 1.005 54.067 53.050 0.021 0.000 1.059 404 N CB -0.431 38.068 38.487 0.020 0.000 1.388 404 N HN 0.722 nan 8.380 nan 0.000 0.533 405 G N -0.080 108.736 108.800 0.028 0.000 2.228 405 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.270 405 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.270 405 G C 0.519 175.449 174.900 0.049 0.000 0.976 405 G CA 1.151 46.271 45.100 0.034 0.000 0.636 405 G HN 0.543 nan 8.290 nan 0.000 0.542 406 T N -1.448 113.141 114.554 0.058 0.000 2.898 406 T HA 0.594 4.944 4.350 -0.001 0.000 0.301 406 T C 0.850 175.615 174.700 0.109 0.000 1.049 406 T CA 0.699 62.843 62.100 0.074 0.000 1.095 406 T CB 1.088 69.999 68.868 0.072 0.000 0.976 406 T HN 1.518 nan 8.240 nan 0.000 0.539 407 T N 1.159 115.780 114.554 0.112 0.000 2.934 407 T HA 0.182 4.532 4.350 -0.001 0.000 0.306 407 T C -0.306 174.526 174.700 0.220 0.000 1.042 407 T CA 0.036 62.228 62.100 0.153 0.000 1.145 407 T CB -0.407 68.526 68.868 0.109 0.000 0.982 407 T HN 0.749 nan 8.240 nan 0.000 0.544 408 Y N 4.199 124.581 120.300 0.138 0.000 2.504 408 Y HA 0.474 5.024 4.550 -0.001 0.000 0.351 408 Y C 1.198 177.215 175.900 0.195 0.000 0.988 408 Y CA -1.351 56.846 58.100 0.162 0.000 1.239 408 Y CB 0.170 38.739 38.460 0.181 0.000 1.128 408 Y HN 0.708 nan 8.280 nan 0.000 0.525 409 A N 3.808 126.609 122.820 -0.032 0.000 1.940 409 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 409 A C 2.096 179.578 177.584 -0.170 0.000 1.176 409 A CA 2.349 54.340 52.037 -0.078 0.000 0.631 409 A CB -0.885 18.097 19.000 -0.029 0.000 0.814 409 A HN 0.790 nan 8.150 nan 0.000 0.446 410 T N -1.514 112.766 114.554 -0.456 0.000 2.746 410 T HA -0.174 4.175 4.350 -0.001 0.000 0.267 410 T C 1.844 176.634 174.700 0.150 0.000 1.039 410 T CA 1.641 63.606 62.100 -0.224 0.000 1.142 410 T CB -0.433 68.233 68.868 -0.336 0.000 0.866 410 T HN 0.574 nan 8.240 nan 0.000 0.444 411 Y N 2.422 122.607 120.300 -0.192 0.000 2.200 411 Y HA -0.061 4.488 4.550 -0.001 0.000 0.290 411 Y C 2.701 178.730 175.900 0.214 0.000 1.137 411 Y CA 1.498 59.747 58.100 0.248 0.000 1.163 411 Y CB -1.003 37.664 38.460 0.344 0.000 0.988 411 Y HN 0.335 nan 8.280 nan 0.000 0.518 412 E N 1.071 121.233 120.200 -0.062 0.000 2.031 412 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 412 E C 2.228 178.728 176.600 -0.167 0.000 0.994 412 E CA 1.904 58.196 56.400 -0.180 0.000 0.800 412 E CB -0.818 28.841 29.700 -0.067 0.000 0.752 412 E HN 0.656 nan 8.360 nan 0.000 0.447 413 R N -0.414 120.054 120.500 -0.054 0.000 2.096 413 R HA -0.034 4.306 4.340 -0.001 0.000 0.235 413 R C 2.824 178.992 176.300 -0.220 0.000 1.127 413 R CA 0.937 57.017 56.100 -0.033 0.000 0.968 413 R CB -0.526 29.853 30.300 0.131 0.000 0.861 413 R HN 0.468 nan 8.270 nan 0.000 0.440 414 G N 1.502 110.108 108.800 -0.324 0.000 2.446 414 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.217 414 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.217 414 G C 1.217 175.472 174.900 -1.075 0.000 1.168 414 G CA 0.776 45.160 45.100 -1.194 0.000 0.771 414 G HN 0.239 nan 8.290 nan 0.000 0.551 415 N N 0.476 118.856 118.700 -0.533 0.000 2.043 415 N HA -0.110 4.629 4.740 -0.001 0.000 0.193 415 N C 2.452 177.587 175.510 -0.624 0.000 1.037 415 N CA 1.837 54.627 53.050 -0.433 0.000 0.851 415 N CB -0.926 37.368 38.487 -0.320 0.000 1.027 415 N HN 0.267 nan 8.380 nan 0.000 0.422 416 T N 1.587 115.845 114.554 -0.494 0.000 2.699 416 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 416 T C 1.629 175.986 174.700 -0.571 0.000 1.036 416 T CA 1.268 63.098 62.100 -0.451 0.000 1.147 416 T CB -0.191 68.525 68.868 -0.253 0.000 0.862 416 T HN 0.414 nan 8.240 nan 0.000 0.446 417 Q N -0.337 119.149 119.800 -0.524 0.000 2.360 417 Q HA 0.111 4.451 4.340 -0.001 0.000 0.202 417 Q C -0.590 175.174 176.000 -0.393 0.000 0.915 417 Q CA -0.097 55.474 55.803 -0.386 0.000 0.943 417 Q CB 0.059 28.629 28.738 -0.280 0.000 1.064 417 Q HN 0.713 nan 8.270 nan 0.000 0.511 418 H N -1.873 116.930 119.070 -0.444 0.000 2.765 418 H HA -0.120 4.436 4.556 -0.001 0.000 0.332 418 H C 0.297 175.306 175.328 -0.532 0.000 1.180 418 H CA 0.140 55.934 56.048 -0.425 0.000 1.142 418 H CB -1.748 27.879 29.762 -0.226 0.000 1.576 418 H HN 0.052 nan 8.280 nan 0.000 0.420 419 V N -1.684 117.688 119.914 -0.903 0.000 3.590 419 V HA -0.004 4.116 4.120 -0.001 0.000 0.265 419 V C 1.300 177.014 176.094 -0.633 0.000 1.239 419 V CA 0.473 62.230 62.300 -0.905 0.000 1.117 419 V CB -0.203 30.727 31.823 -1.488 0.000 0.818 419 V HN 0.440 nan 8.190 nan 0.000 0.451 420 W N -0.654 120.501 121.300 -0.241 0.000 2.141 420 W HA 0.533 5.192 4.660 -0.001 0.000 0.354 420 W C 0.140 176.605 176.519 -0.089 0.000 1.297 420 W CA -0.996 56.252 57.345 -0.162 0.000 1.380 420 W CB 0.561 29.964 29.460 -0.095 0.000 1.168 420 W HN -0.065 nan 8.180 nan 0.000 0.639 421 I N 3.018 123.748 120.570 0.266 0.000 2.371 421 I HA 0.046 4.216 4.170 -0.001 0.000 0.290 421 I C -0.040 176.158 176.117 0.135 0.000 1.028 421 I CA -0.485 60.907 61.300 0.153 0.000 1.345 421 I CB 0.123 38.214 38.000 0.152 0.000 1.407 421 I HN 0.348 nan 8.210 nan 0.000 0.501 422 N N 5.684 124.437 118.700 0.088 0.000 2.476 422 N HA 0.295 5.034 4.740 -0.001 0.000 0.275 422 N C -0.133 175.402 175.510 0.041 0.000 1.190 422 N CA -0.589 52.502 53.050 0.067 0.000 0.977 422 N CB 0.834 39.350 38.487 0.049 0.000 1.200 422 N HN 0.494 nan 8.380 nan 0.000 0.515 423 E N -0.463 119.753 120.200 0.028 0.000 2.585 423 E HA 0.023 4.373 4.350 -0.001 0.000 0.256 423 E C 0.932 177.536 176.600 0.006 0.000 1.383 423 E CA -0.102 56.303 56.400 0.009 0.000 1.029 423 E CB 0.375 30.076 29.700 0.002 0.000 1.044 423 E HN 0.644 nan 8.360 nan 0.000 0.595 424 S N 0.602 116.300 115.700 -0.003 0.000 2.419 424 S HA -0.196 4.274 4.470 -0.001 0.000 0.233 424 S C 1.293 175.893 174.600 0.000 0.000 1.016 424 S CA 1.505 59.703 58.200 -0.003 0.000 0.974 424 S CB -0.403 62.791 63.200 -0.011 0.000 0.786 424 S HN 0.641 nan 8.310 nan 0.000 0.492 425 D N 1.596 121.996 120.400 0.001 0.000 2.178 425 D HA -0.008 4.632 4.640 -0.001 0.000 0.201 425 D C 1.560 177.862 176.300 0.002 0.000 0.980 425 D CA 0.974 54.975 54.000 0.001 0.000 0.842 425 D CB -1.001 39.800 40.800 0.001 0.000 0.948 425 D HN 0.723 nan 8.370 nan 0.000 0.472 426 G N -0.077 108.727 108.800 0.007 0.000 2.132 426 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.228 426 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.228 426 G C 0.748 175.649 174.900 0.002 0.000 1.000 426 G CA 0.585 45.688 45.100 0.006 0.000 0.693 426 G HN 0.506 nan 8.290 nan 0.000 0.515 427 S N -1.525 114.180 115.700 0.009 0.000 3.472 427 S HA 0.220 4.689 4.470 -0.001 0.000 0.247 427 S C 0.765 175.386 174.600 0.035 0.000 1.084 427 S CA 0.734 58.939 58.200 0.008 0.000 0.795 427 S CB 0.237 63.437 63.200 -0.000 0.000 0.892 427 S HN 0.606 nan 8.310 nan 0.000 0.513 428 T N 5.816 120.390 114.554 0.033 0.000 2.799 428 T HA 0.284 4.634 4.350 -0.001 0.000 0.296 428 T C -2.680 172.054 174.700 0.057 0.000 0.947 428 T CA -0.820 61.306 62.100 0.044 0.000 1.141 428 T CB 0.461 69.344 68.868 0.025 0.000 0.891 428 T HN 0.175 nan 8.240 nan 0.000 0.533 429 P HA 0.206 nan 4.420 nan 0.000 0.271 429 P C 0.015 177.326 177.300 0.020 0.000 1.216 429 P CA -0.472 62.679 63.100 0.085 0.000 0.771 429 P CB 0.676 32.439 31.700 0.106 0.000 0.864 430 I N 3.596 124.186 120.570 0.033 0.000 2.638 430 I HA 0.159 4.329 4.170 -0.001 0.000 0.286 430 I C -0.020 176.092 176.117 -0.008 0.000 1.088 430 I CA -0.434 60.881 61.300 0.025 0.000 1.397 430 I CB 0.318 38.351 38.000 0.055 0.000 1.414 430 I HN 0.149 nan 8.210 nan 0.000 0.566 431 I N 7.297 127.852 120.570 -0.025 0.000 2.382 431 I HA 0.412 4.582 4.170 -0.001 0.000 0.286 431 I C 0.492 176.594 176.117 -0.025 0.000 1.002 431 I CA -0.211 61.035 61.300 -0.089 0.000 1.135 431 I CB 0.365 38.298 38.000 -0.112 0.000 1.288 431 I HN 0.649 nan 8.210 nan 0.000 0.448 432 G N 4.898 113.689 108.800 -0.015 0.000 2.857 432 G HA2 0.615 4.574 3.960 -0.001 0.000 0.217 432 G HA3 0.615 4.574 3.960 -0.001 0.000 0.217 432 G C -0.961 173.870 174.900 -0.116 0.000 1.357 432 G CA -0.302 44.839 45.100 0.069 0.000 1.033 432 G HN 0.641 nan 8.290 nan 0.000 0.571 433 E N -1.413 118.710 120.200 -0.129 0.000 2.311 433 E HA 0.507 4.856 4.350 -0.001 0.000 0.281 433 E C -1.168 175.105 176.600 -0.545 0.000 0.905 433 E CA -0.679 55.565 56.400 -0.259 0.000 0.778 433 E CB 2.021 31.647 29.700 -0.124 0.000 1.240 433 E HN 0.269 nan 8.360 nan 0.000 0.410 434 V N 3.155 122.634 119.914 -0.724 0.000 5.412 434 V HA 0.315 4.434 4.120 -0.001 0.000 0.289 434 V C 0.706 176.168 176.094 -1.054 0.000 1.523 434 V CA -0.710 60.804 62.300 -1.310 0.000 0.771 434 V CB -0.108 31.227 31.823 -0.813 0.000 1.379 434 V HN 0.902 nan 8.190 nan 0.000 0.431 435 W N 1.072 122.090 121.300 -0.471 0.000 2.355 435 W HA -0.017 4.643 4.660 -0.000 0.000 0.309 435 W C -0.767 175.689 176.519 -0.105 0.000 1.206 435 W CA 1.461 58.712 57.345 -0.156 0.000 1.284 435 W CB -1.233 28.173 29.460 -0.089 0.000 1.145 435 W HN 0.442 nan 8.180 nan 0.000 0.502 436 P HA 0.302 nan 4.420 nan 0.000 0.243 436 P C 0.539 177.785 177.300 -0.090 0.000 1.672 436 P CA 0.961 64.041 63.100 -0.034 0.000 1.000 436 P CB 0.040 31.673 31.700 -0.111 0.000 1.562 437 G N 0.845 109.593 108.800 -0.086 0.000 2.553 437 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.242 437 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.242 437 G C -0.621 174.167 174.900 -0.185 0.000 1.277 437 G CA -0.557 44.480 45.100 -0.104 0.000 0.910 437 G HN 0.312 nan 8.290 nan 0.000 0.576 438 L N 1.464 122.584 121.223 -0.172 0.000 2.543 438 L HA 0.464 4.803 4.340 -0.001 0.000 0.285 438 L C 1.279 177.960 176.870 -0.315 0.000 1.236 438 L CA 1.043 55.752 54.840 -0.218 0.000 0.871 438 L CB 0.164 42.116 42.059 -0.178 0.000 1.121 438 L HN 1.155 nan 8.230 nan 0.000 0.501 439 T N -0.522 113.795 114.554 -0.396 0.000 2.853 439 T HA 0.709 5.059 4.350 -0.001 0.000 0.311 439 T C -0.463 173.824 174.700 -0.688 0.000 1.307 439 T CA -0.933 60.841 62.100 -0.543 0.000 1.019 439 T CB 1.545 70.062 68.868 -0.584 0.000 1.264 439 T HN 0.408 nan 8.240 nan 0.000 0.497 440 V N -0.764 118.662 119.914 -0.813 0.000 3.093 440 V HA 0.797 4.917 4.120 -0.001 0.000 0.320 440 V C -1.358 174.241 176.094 -0.825 0.000 1.093 440 V CA -1.340 60.445 62.300 -0.859 0.000 1.016 440 V CB 0.846 31.932 31.823 -1.229 0.000 1.096 440 V HN 0.941 nan 8.190 nan 0.000 0.452 441 Y N 0.833 121.011 120.300 -0.204 0.000 2.341 441 Y HA 0.607 5.156 4.550 -0.000 0.000 0.338 441 Y C -2.528 173.497 175.900 0.209 0.000 0.965 441 Y CA -2.562 55.551 58.100 0.021 0.000 1.108 441 Y CB 2.171 40.625 38.460 -0.009 0.000 1.180 441 Y HN 0.457 nan 8.280 nan 0.000 0.458 442 P HA 0.010 nan 4.420 nan 0.000 0.276 442 P C -0.607 176.512 177.300 -0.301 0.000 1.235 442 P CA -0.156 62.890 63.100 -0.090 0.000 0.772 442 P CB 0.709 32.079 31.700 -0.550 0.000 0.871 443 D N 2.735 122.952 120.400 -0.306 0.000 2.522 443 D HA 0.122 4.762 4.640 -0.001 0.000 0.218 443 D C -0.025 176.018 176.300 -0.429 0.000 1.149 443 D CA -0.338 53.505 54.000 -0.262 0.000 0.981 443 D CB -0.750 39.959 40.800 -0.152 0.000 1.041 443 D HN 0.139 nan 8.370 nan 0.000 0.518 444 F N 0.938 120.638 119.950 -0.416 0.000 2.773 444 F HA -0.000 4.526 4.527 -0.001 0.000 0.299 444 F C 2.426 177.880 175.800 -0.576 0.000 1.204 444 F CA 0.715 58.428 58.000 -0.479 0.000 1.454 444 F CB -0.344 38.278 39.000 -0.629 0.000 1.117 444 F HN 0.355 nan 8.300 nan 0.000 0.590 445 T N -4.058 110.149 114.554 -0.577 0.000 3.060 445 T HA 0.025 4.375 4.350 -0.001 0.000 0.249 445 T C 0.790 175.218 174.700 -0.453 0.000 1.079 445 T CA -0.194 61.331 62.100 -0.958 0.000 1.013 445 T CB -0.215 67.596 68.868 -1.761 0.000 0.975 445 T HN 0.037 nan 8.240 nan 0.000 0.518 446 N N 2.542 121.073 118.700 -0.283 0.000 2.422 446 N HA 0.241 4.980 4.740 -0.001 0.000 0.264 446 N C -2.122 173.341 175.510 -0.078 0.000 1.063 446 N CA -1.880 51.082 53.050 -0.147 0.000 0.959 446 N CB 1.993 40.384 38.487 -0.159 0.000 1.087 446 N HN -0.004 nan 8.380 nan 0.000 0.483 447 P HA -0.039 nan 4.420 nan 0.000 0.219 447 P C 0.518 177.829 177.300 0.019 0.000 1.146 447 P CA 1.246 64.355 63.100 0.015 0.000 0.808 447 P CB 0.369 32.088 31.700 0.032 0.000 0.779 448 N N -1.796 116.900 118.700 -0.007 0.000 2.244 448 N HA -0.129 4.611 4.740 -0.001 0.000 0.183 448 N C 1.738 177.263 175.510 0.025 0.000 1.016 448 N CA 0.598 53.645 53.050 -0.005 0.000 0.866 448 N CB -0.489 37.968 38.487 -0.050 0.000 0.980 448 N HN 0.151 nan 8.380 nan 0.000 0.430 449 C N 1.017 120.308 119.300 -0.015 0.000 2.466 449 C HA 0.021 4.481 4.460 -0.001 0.000 0.278 449 C C 2.574 177.711 174.990 0.245 0.000 1.288 449 C CA 0.240 59.275 59.018 0.028 0.000 1.722 449 C CB -1.138 26.489 27.740 -0.188 0.000 2.017 449 C HN 0.522 nan 8.230 nan 0.000 0.488 450 I N 0.127 120.802 120.570 0.175 0.000 2.264 450 I HA -0.130 4.040 4.170 -0.001 0.000 0.248 450 I C 1.877 178.143 176.117 0.250 0.000 1.111 450 I CA 2.270 63.720 61.300 0.249 0.000 1.382 450 I CB -0.877 37.209 38.000 0.142 0.000 1.060 450 I HN 0.191 nan 8.210 nan 0.000 0.418 451 D N 0.883 121.389 120.400 0.176 0.000 2.084 451 D HA -0.209 4.431 4.640 -0.001 0.000 0.196 451 D C 1.652 178.042 176.300 0.150 0.000 0.985 451 D CA 1.649 55.727 54.000 0.130 0.000 0.826 451 D CB -0.642 40.209 40.800 0.086 0.000 0.978 451 D HN 0.685 nan 8.370 nan 0.000 0.456 452 W N 1.297 122.600 121.300 0.006 0.000 2.305 452 W HA -0.225 4.435 4.660 -0.001 0.000 0.308 452 W C 2.326 178.890 176.519 0.075 0.000 1.226 452 W CA 1.731 59.063 57.345 -0.021 0.000 1.253 452 W CB -0.635 28.763 29.460 -0.103 0.000 1.146 452 W HN 0.141 nan 8.180 nan 0.000 0.507 453 W N 0.994 122.185 121.300 -0.183 0.000 2.353 453 W HA -0.233 4.427 4.660 -0.000 0.000 0.319 453 W C 2.301 178.678 176.519 -0.238 0.000 1.207 453 W CA 2.494 59.649 57.345 -0.317 0.000 1.291 453 W CB -0.945 28.627 29.460 0.186 0.000 1.159 453 W HN 0.019 nan 8.180 nan 0.000 0.478 454 A N 0.914 123.738 122.820 0.006 0.000 1.903 454 A HA -0.370 3.950 4.320 -0.001 0.000 0.219 454 A C 1.682 179.148 177.584 -0.197 0.000 1.191 454 A CA 2.502 54.488 52.037 -0.086 0.000 0.638 454 A CB -1.520 17.494 19.000 0.025 0.000 0.823 454 A HN 0.546 nan 8.150 nan 0.000 0.451 455 N N -0.469 118.106 118.700 -0.208 0.000 2.069 455 N HA -0.170 4.570 4.740 -0.001 0.000 0.191 455 N C 1.664 176.944 175.510 -0.383 0.000 1.031 455 N CA 1.767 54.674 53.050 -0.238 0.000 0.852 455 N CB -0.203 38.172 38.487 -0.186 0.000 1.018 455 N HN 0.419 nan 8.380 nan 0.000 0.423 456 E N -0.111 119.680 120.200 -0.681 0.000 2.118 456 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 456 E C 2.150 178.255 176.600 -0.825 0.000 0.992 456 E CA 0.864 56.642 56.400 -1.037 0.000 0.804 456 E CB -0.721 27.882 29.700 -1.828 0.000 0.741 456 E HN 0.493 nan 8.360 nan 0.000 0.458 457 C N 0.188 119.164 119.300 -0.539 0.000 2.446 457 C HA 0.018 4.478 4.460 -0.001 0.000 0.279 457 C C 3.031 178.101 174.990 0.133 0.000 1.366 457 C CA 0.800 59.802 59.018 -0.026 0.000 1.763 457 C CB -0.735 26.960 27.740 -0.075 0.000 1.929 457 C HN 0.404 nan 8.230 nan 0.000 0.509 458 S N 0.596 116.256 115.700 -0.066 0.000 2.357 458 S HA -0.004 4.466 4.470 -0.001 0.000 0.221 458 S C 1.688 176.276 174.600 -0.019 0.000 1.031 458 S CA 1.086 59.244 58.200 -0.070 0.000 0.982 458 S CB -0.226 62.905 63.200 -0.114 0.000 0.853 458 S HN 0.561 nan 8.310 nan 0.000 0.458 459 I N 0.482 121.025 120.570 -0.045 0.000 2.163 459 I HA -0.152 4.017 4.170 -0.001 0.000 0.243 459 I C 2.143 178.330 176.117 0.117 0.000 1.085 459 I CA 1.452 62.748 61.300 -0.006 0.000 1.347 459 I CB -0.430 37.531 38.000 -0.066 0.000 1.044 459 I HN 0.320 nan 8.210 nan 0.000 0.408 460 F N 0.879 120.854 119.950 0.040 0.000 2.234 460 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 460 F C 2.665 178.610 175.800 0.241 0.000 1.087 460 F CA 1.679 59.811 58.000 0.220 0.000 1.340 460 F CB -0.630 38.624 39.000 0.425 0.000 1.031 460 F HN 0.150 nan 8.300 nan 0.000 0.500 461 H N 0.100 119.197 119.070 0.045 0.000 2.456 461 H HA -0.124 4.432 4.556 -0.001 0.000 0.296 461 H C 1.806 176.963 175.328 -0.285 0.000 1.079 461 H CA 1.704 57.553 56.048 -0.333 0.000 1.322 461 H CB 0.075 29.459 29.762 -0.630 0.000 1.388 461 H HN 0.432 nan 8.280 nan 0.000 0.538 462 Q N 0.014 119.700 119.800 -0.189 0.000 2.224 462 Q HA -0.112 4.228 4.340 -0.001 0.000 0.203 462 Q C 2.063 177.948 176.000 -0.193 0.000 0.970 462 Q CA 1.065 56.756 55.803 -0.187 0.000 0.865 462 Q CB 0.225 28.914 28.738 -0.082 0.000 0.922 462 Q HN 0.592 nan 8.270 nan 0.000 0.445 463 E N -0.103 119.982 120.200 -0.192 0.000 2.075 463 E HA -0.001 4.349 4.350 -0.001 0.000 0.190 463 E C -0.384 176.077 176.600 -0.232 0.000 0.969 463 E CA 0.451 56.770 56.400 -0.135 0.000 0.815 463 E CB 0.799 30.486 29.700 -0.022 0.000 0.776 463 E HN -0.031 nan 8.360 nan 0.000 0.457 464 V N 2.063 121.701 119.914 -0.460 0.000 2.443 464 V HA 0.187 4.306 4.120 -0.001 0.000 0.293 464 V C -0.684 175.184 176.094 -0.377 0.000 1.021 464 V CA -0.512 61.552 62.300 -0.394 0.000 0.848 464 V CB 1.509 33.067 31.823 -0.442 0.000 0.998 464 V HN 0.125 nan 8.190 nan 0.000 0.424 465 Q N 4.065 123.669 119.800 -0.327 0.000 3.184 465 Q HA 0.210 4.550 4.340 -0.001 0.000 0.288 465 Q C -0.345 175.734 176.000 0.132 0.000 1.412 465 Q CA -0.341 55.190 55.803 -0.453 0.000 0.991 465 Q CB -0.130 28.395 28.738 -0.355 0.000 1.688 465 Q HN 0.815 nan 8.270 nan 0.000 0.554 466 Y N -1.838 118.695 120.300 0.387 0.000 2.550 466 Y HA 0.008 4.558 4.550 -0.001 0.000 0.343 466 Y C 0.510 176.778 175.900 0.614 0.000 1.245 466 Y CA -0.190 58.218 58.100 0.513 0.000 1.462 466 Y CB 0.644 39.329 38.460 0.375 0.000 1.340 466 Y HN 0.160 nan 8.280 nan 0.000 0.604 467 D N 0.995 121.746 120.400 0.586 0.000 2.423 467 D HA 0.236 4.876 4.640 -0.001 0.000 0.212 467 D C 0.488 176.951 176.300 0.272 0.000 1.060 467 D CA 0.890 55.063 54.000 0.288 0.000 0.872 467 D CB 0.887 41.630 40.800 -0.096 0.000 1.012 467 D HN 0.832 nan 8.370 nan 0.000 0.503 468 G N 0.263 109.372 108.800 0.516 0.000 2.677 468 G HA2 0.575 4.534 3.960 -0.001 0.000 0.291 468 G HA3 0.575 4.534 3.960 -0.001 0.000 0.291 468 G C -1.693 173.426 174.900 0.365 0.000 1.435 468 G CA -0.625 44.781 45.100 0.509 0.000 0.826 468 G HN -0.030 nan 8.290 nan 0.000 0.491 469 L N -0.283 121.080 121.223 0.234 0.000 2.342 469 L HA 0.700 5.040 4.340 -0.001 0.000 0.271 469 L C -1.205 175.723 176.870 0.096 0.000 1.008 469 L CA -0.893 54.003 54.840 0.094 0.000 0.818 469 L CB 2.701 44.780 42.059 0.034 0.000 1.296 469 L HN 0.617 nan 8.230 nan 0.000 0.427 470 W N 5.373 126.601 121.300 -0.121 0.000 2.453 470 W HA 0.557 5.217 4.660 -0.001 0.000 0.310 470 W C -1.001 175.455 176.519 -0.105 0.000 1.000 470 W CA -1.817 55.422 57.345 -0.178 0.000 1.367 470 W CB 0.736 30.078 29.460 -0.195 0.000 1.269 470 W HN 0.335 nan 8.180 nan 0.000 0.418 471 I N 3.630 124.282 120.570 0.136 0.000 2.312 471 I HA 0.428 4.598 4.170 -0.001 0.000 0.291 471 I C -0.117 176.025 176.117 0.041 0.000 1.031 471 I CA -0.065 61.250 61.300 0.025 0.000 1.293 471 I CB 0.995 39.019 38.000 0.039 0.000 1.403 471 I HN 0.208 nan 8.210 nan 0.000 0.484 472 D N 5.679 126.008 120.400 -0.118 0.000 2.525 472 D HA 0.481 5.121 4.640 -0.001 0.000 0.249 472 D C 0.588 176.919 176.300 0.052 0.000 1.072 472 D CA -0.304 53.679 54.000 -0.029 0.000 1.067 472 D CB 1.255 41.868 40.800 -0.311 0.000 1.282 472 D HN 0.638 nan 8.370 nan 0.000 0.587 473 M N 0.259 119.922 119.600 0.105 0.000 2.762 473 M HA -0.244 4.236 4.480 -0.001 0.000 0.190 473 M C 0.501 176.855 176.300 0.091 0.000 0.586 473 M CA 0.308 55.673 55.300 0.109 0.000 0.620 473 M CB -2.577 30.084 32.600 0.102 0.000 2.269 473 M HN 0.424 nan 8.290 nan 0.000 0.563 474 N N 1.404 120.170 118.700 0.111 0.000 2.205 474 N HA -0.098 4.642 4.740 -0.001 0.000 0.186 474 N C 1.870 177.443 175.510 0.106 0.000 1.015 474 N CA 1.968 55.105 53.050 0.146 0.000 0.862 474 N CB -0.071 38.492 38.487 0.127 0.000 0.986 474 N HN 0.796 nan 8.380 nan 0.000 0.429 475 E N 0.797 121.019 120.200 0.036 0.000 2.339 475 E HA 0.075 4.425 4.350 -0.001 0.000 0.201 475 E C 1.136 177.566 176.600 -0.283 0.000 1.015 475 E CA 1.122 57.474 56.400 -0.080 0.000 0.841 475 E CB -1.456 28.245 29.700 0.001 0.000 0.754 475 E HN 0.621 nan 8.360 nan 0.000 0.508 476 V N -2.246 117.470 119.914 -0.330 0.000 5.534 476 V HA 0.201 4.321 4.120 -0.001 0.000 0.325 476 V C 0.438 176.364 176.094 -0.280 0.000 0.622 476 V CA 1.220 63.187 62.300 -0.556 0.000 1.198 476 V CB -2.644 28.588 31.823 -0.985 0.000 1.407 476 V HN 1.357 nan 8.190 nan 0.000 0.477 477 S N 2.251 117.872 115.700 -0.133 0.000 2.562 477 S HA 0.952 5.422 4.470 -0.001 0.000 0.275 477 S C 0.332 174.906 174.600 -0.044 0.000 1.281 477 S CA 0.276 58.455 58.200 -0.035 0.000 1.045 477 S CB 1.367 64.595 63.200 0.046 0.000 0.962 477 S HN 2.530 nan 8.310 nan 0.000 0.503 478 S N 1.321 117.027 115.700 0.009 0.000 2.538 478 S HA 0.667 5.137 4.470 -0.001 0.000 0.288 478 S C -0.049 174.653 174.600 0.170 0.000 1.108 478 S CA -0.531 57.691 58.200 0.036 0.000 0.971 478 S CB 0.202 63.431 63.200 0.049 0.000 1.041 478 S HN 0.438 nan 8.310 nan 0.000 0.483 479 F N 3.015 122.904 119.950 -0.101 0.000 2.325 479 F HA 0.209 4.736 4.527 -0.001 0.000 0.299 479 F C 1.129 176.902 175.800 -0.045 0.000 1.090 479 F CA -0.023 57.913 58.000 -0.106 0.000 1.392 479 F CB -0.638 38.268 39.000 -0.157 0.000 1.053 479 F HN 0.593 nan 8.300 nan 0.000 0.521 480 I N -1.540 119.127 120.570 0.163 0.000 2.577 480 I HA 0.359 4.528 4.170 -0.001 0.000 0.305 480 I C -0.080 176.102 176.117 0.108 0.000 0.986 480 I CA -1.068 60.296 61.300 0.108 0.000 1.189 480 I CB 1.007 39.053 38.000 0.076 0.000 1.355 480 I HN -0.284 nan 8.210 nan 0.000 0.476 481 Q N 4.161 124.036 119.800 0.125 0.000 2.307 481 Q HA 0.311 4.651 4.340 -0.001 0.000 0.261 481 Q C 0.796 176.940 176.000 0.240 0.000 1.051 481 Q CA 0.843 56.771 55.803 0.208 0.000 0.911 481 Q CB 0.842 29.718 28.738 0.229 0.000 1.227 481 Q HN 1.133 nan 8.270 nan 0.000 0.418 482 G N 3.083 112.012 108.800 0.215 0.000 4.951 482 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.295 482 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.295 482 G C 0.104 174.985 174.900 -0.031 0.000 1.540 482 G CA 0.296 45.403 45.100 0.012 0.000 1.044 482 G HN 1.079 nan 8.290 nan 0.000 0.731 483 S N -2.312 113.365 115.700 -0.038 0.000 2.625 483 S HA 0.640 5.110 4.470 -0.001 0.000 0.271 483 S C 0.697 175.290 174.600 -0.011 0.000 1.161 483 S CA 1.046 59.233 58.200 -0.020 0.000 0.820 483 S CB 1.110 64.284 63.200 -0.043 0.000 1.137 483 S HN 1.221 nan 8.310 nan 0.000 0.470 484 T N 0.754 115.300 114.554 -0.014 0.000 2.778 484 T HA -0.060 4.289 4.350 -0.001 0.000 0.269 484 T C 1.151 175.843 174.700 -0.014 0.000 1.050 484 T CA 2.041 64.130 62.100 -0.018 0.000 1.137 484 T CB -0.515 68.332 68.868 -0.035 0.000 0.860 484 T HN 0.831 nan 8.240 nan 0.000 0.468 485 K N -0.163 120.224 120.400 -0.021 0.000 2.726 485 K HA 0.637 4.957 4.320 -0.001 0.000 0.209 485 K C 0.903 177.485 176.600 -0.030 0.000 1.082 485 K CA 0.007 56.282 56.287 -0.020 0.000 1.081 485 K CB -0.333 32.156 32.500 -0.019 0.000 0.830 485 K HN 0.611 nan 8.250 nan 0.000 0.470 486 G N 0.160 108.938 108.800 -0.037 0.000 2.598 486 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 486 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 486 G C -0.124 174.676 174.900 -0.167 0.000 1.302 486 G CA -0.238 44.820 45.100 -0.069 0.000 0.903 486 G HN 0.809 nan 8.290 nan 0.000 0.575 487 C N -0.306 118.857 119.300 -0.228 0.000 2.563 487 C HA 0.660 5.119 4.460 -0.001 0.000 0.314 487 C C 0.647 175.568 174.990 -0.114 0.000 1.199 487 C CA -0.314 58.520 59.018 -0.307 0.000 1.564 487 C CB 0.988 28.276 27.740 -0.754 0.000 2.173 487 C HN 0.922 nan 8.230 nan 0.000 0.485 488 N N 0.426 119.078 118.700 -0.080 0.000 2.492 488 N HA 0.249 4.989 4.740 -0.001 0.000 0.260 488 N C -0.316 175.242 175.510 0.080 0.000 1.215 488 N CA -0.391 52.656 53.050 -0.005 0.000 0.923 488 N CB 1.091 39.570 38.487 -0.013 0.000 1.092 488 N HN 0.521 nan 8.380 nan 0.000 0.448 489 V N 2.538 122.519 119.914 0.112 0.000 2.338 489 V HA 0.299 4.419 4.120 -0.001 0.000 0.255 489 V C -0.014 176.174 176.094 0.157 0.000 1.082 489 V CA -0.380 62.036 62.300 0.193 0.000 0.951 489 V CB -1.203 30.642 31.823 0.037 0.000 1.102 489 V HN 0.982 nan 8.190 nan 0.000 0.489 490 N N 2.893 121.729 118.700 0.227 0.000 2.972 490 N HA 0.553 5.293 4.740 -0.001 0.000 0.262 490 N C 0.824 176.412 175.510 0.130 0.000 1.478 490 N CA -0.367 52.755 53.050 0.120 0.000 0.841 490 N CB 1.104 39.618 38.487 0.045 0.000 1.512 490 N HN 0.049 nan 8.380 nan 0.000 0.548 491 K N -0.007 120.423 120.400 0.050 0.000 2.218 491 K HA 0.004 4.324 4.320 -0.001 0.000 0.205 491 K C 1.610 178.171 176.600 -0.067 0.000 1.046 491 K CA 1.920 58.216 56.287 0.015 0.000 0.933 491 K CB -1.392 31.095 32.500 -0.022 0.000 0.728 491 K HN 0.561 nan 8.250 nan 0.000 0.454 492 L N -0.486 120.660 121.223 -0.127 0.000 2.209 492 L HA -0.008 4.332 4.340 -0.001 0.000 0.207 492 L C 2.194 179.064 176.870 -0.001 0.000 1.094 492 L CA 1.299 55.996 54.840 -0.239 0.000 0.790 492 L CB -0.077 41.842 42.059 -0.233 0.000 0.932 492 L HN 0.459 nan 8.230 nan 0.000 0.447 493 N N -1.456 117.234 118.700 -0.017 0.000 2.368 493 N HA -0.043 4.697 4.740 -0.001 0.000 0.176 493 N C -0.371 174.904 175.510 -0.391 0.000 1.021 493 N CA 0.480 53.441 53.050 -0.148 0.000 0.888 493 N CB 0.358 38.706 38.487 -0.231 0.000 0.995 493 N HN 0.172 nan 8.380 nan 0.000 0.437 494 Y N 0.779 121.140 120.300 0.101 0.000 2.658 494 Y HA 0.361 4.911 4.550 -0.001 0.000 0.362 494 Y C -2.339 173.590 175.900 0.048 0.000 1.017 494 Y CA -2.288 55.854 58.100 0.070 0.000 1.134 494 Y CB 0.648 39.148 38.460 0.068 0.000 1.144 494 Y HN -0.028 nan 8.280 nan 0.000 0.655 495 P HA 0.126 nan 4.420 nan 0.000 0.272 495 P C -2.164 175.198 177.300 0.104 0.000 1.230 495 P CA -1.329 61.840 63.100 0.116 0.000 0.788 495 P CB 1.273 33.065 31.700 0.154 0.000 0.949 496 P HA 0.006 nan 4.420 nan 0.000 0.218 496 P C -0.008 177.360 177.300 0.112 0.000 1.149 496 P CA 1.226 64.434 63.100 0.179 0.000 0.817 496 P CB 0.011 31.861 31.700 0.251 0.000 0.785 497 F N -0.016 119.777 119.950 -0.261 0.000 2.536 497 F HA 0.467 4.994 4.527 -0.000 0.000 0.322 497 F C -1.052 174.630 175.800 -0.197 0.000 1.144 497 F CA -0.671 57.046 58.000 -0.471 0.000 0.924 497 F CB 1.266 39.590 39.000 -1.127 0.000 1.181 497 F HN -0.415 nan 8.300 nan 0.000 0.438 498 T N 7.932 121.961 114.554 -0.875 0.000 2.758 498 T HA 0.444 4.794 4.350 -0.001 0.000 0.285 498 T C -2.548 171.474 174.700 -1.129 0.000 0.981 498 T CA -1.266 60.359 62.100 -0.791 0.000 0.965 498 T CB 1.313 69.953 68.868 -0.381 0.000 0.927 498 T HN 0.390 nan 8.240 nan 0.000 0.448 499 P HA 0.204 nan 4.420 nan 0.000 0.277 499 P C 0.068 177.204 177.300 -0.275 0.000 1.276 499 P CA -0.381 62.398 63.100 -0.536 0.000 0.788 499 P CB 0.683 32.263 31.700 -0.201 0.000 1.114 500 D N -0.393 119.944 120.400 -0.106 0.000 2.644 500 D HA 0.041 4.680 4.640 -0.001 0.000 0.252 500 D C 0.333 176.602 176.300 -0.053 0.000 1.254 500 D CA -0.085 53.876 54.000 -0.065 0.000 0.884 500 D CB -1.536 39.253 40.800 -0.018 0.000 1.034 500 D HN 0.263 nan 8.370 nan 0.000 0.473 501 I N -2.184 118.339 120.570 -0.079 0.000 2.692 501 I HA 0.110 4.280 4.170 -0.001 0.000 0.284 501 I C 0.419 176.515 176.117 -0.035 0.000 1.159 501 I CA -1.085 60.197 61.300 -0.030 0.000 1.423 501 I CB 0.548 38.531 38.000 -0.029 0.000 1.380 501 I HN -0.189 nan 8.210 nan 0.000 0.580 502 L N 6.785 128.004 121.223 -0.007 0.000 2.593 502 L HA -0.064 4.276 4.340 -0.001 0.000 0.287 502 L C 0.533 177.381 176.870 -0.037 0.000 1.243 502 L CA 1.345 56.175 54.840 -0.017 0.000 0.890 502 L CB -0.578 41.478 42.059 -0.005 0.000 1.134 502 L HN 0.903 nan 8.230 nan 0.000 0.502 503 D N 1.211 121.585 120.400 -0.043 0.000 2.837 503 D HA -0.307 4.333 4.640 -0.001 0.000 0.195 503 D C 0.789 177.040 176.300 -0.082 0.000 1.033 503 D CA 1.463 55.427 54.000 -0.059 0.000 1.021 503 D CB -1.426 39.332 40.800 -0.071 0.000 1.101 503 D HN 1.071 nan 8.370 nan 0.000 0.431 504 K N -0.550 119.796 120.400 -0.089 0.000 3.071 504 K HA -0.170 4.150 4.320 -0.001 0.000 0.262 504 K C 0.075 176.590 176.600 -0.142 0.000 0.977 504 K CA 1.727 57.944 56.287 -0.116 0.000 0.721 504 K CB -2.028 30.417 32.500 -0.092 0.000 1.293 504 K HN 0.613 nan 8.250 nan 0.000 0.475 505 L N 0.701 121.814 121.223 -0.183 0.000 2.568 505 L HA 0.359 4.699 4.340 -0.001 0.000 0.262 505 L C 1.243 177.920 176.870 -0.321 0.000 0.980 505 L CA -0.767 53.898 54.840 -0.291 0.000 0.882 505 L CB 1.172 43.024 42.059 -0.344 0.000 1.198 505 L HN 0.353 nan 8.230 nan 0.000 0.425 506 M N 3.890 123.314 119.600 -0.294 0.000 2.088 506 M HA -0.252 4.227 4.480 -0.001 0.000 0.256 506 M C 1.581 177.846 176.300 -0.058 0.000 1.071 506 M CA 2.298 57.492 55.300 -0.175 0.000 1.097 506 M CB -1.159 31.345 32.600 -0.160 0.000 1.315 506 M HN 0.781 nan 8.290 nan 0.000 0.406 507 Y N -0.670 119.553 120.300 -0.127 0.000 2.578 507 Y HA 0.357 4.907 4.550 -0.001 0.000 0.297 507 Y C 1.155 177.015 175.900 -0.066 0.000 1.176 507 Y CA -0.286 57.747 58.100 -0.112 0.000 1.315 507 Y CB -0.877 37.505 38.460 -0.130 0.000 1.031 507 Y HN 0.040 nan 8.280 nan 0.000 0.524 508 S N 1.917 117.488 115.700 -0.214 0.000 2.537 508 S HA 0.316 4.785 4.470 -0.001 0.000 0.286 508 S C 1.117 175.708 174.600 -0.014 0.000 1.299 508 S CA 0.629 58.753 58.200 -0.126 0.000 1.067 508 S CB -0.157 62.954 63.200 -0.148 0.000 0.864 508 S HN 0.914 nan 8.310 nan 0.000 0.494 509 K N 0.876 121.289 120.400 0.023 0.000 3.016 509 K HA -0.172 4.147 4.320 -0.001 0.000 0.262 509 K C 0.501 177.124 176.600 0.037 0.000 1.043 509 K CA 2.072 58.387 56.287 0.047 0.000 0.761 509 K CB -2.772 29.755 32.500 0.044 0.000 1.230 509 K HN 1.130 nan 8.250 nan 0.000 0.485 510 T N -2.426 112.144 114.554 0.027 0.000 2.627 510 T HA 0.785 5.134 4.350 -0.001 0.000 0.294 510 T C -0.586 174.087 174.700 -0.045 0.000 1.230 510 T CA 0.156 62.239 62.100 -0.027 0.000 1.084 510 T CB 0.711 69.587 68.868 0.012 0.000 1.693 510 T HN 1.355 nan 8.240 nan 0.000 0.465 511 I N -0.274 120.228 120.570 -0.113 0.000 2.863 511 I HA 0.721 4.890 4.170 -0.001 0.000 0.311 511 I C 0.114 176.194 176.117 -0.061 0.000 1.026 511 I CA -1.110 60.122 61.300 -0.113 0.000 1.077 511 I CB 1.187 39.045 38.000 -0.237 0.000 1.262 511 I HN 0.602 nan 8.210 nan 0.000 0.461 512 C N 4.176 123.425 119.300 -0.085 0.000 2.563 512 C HA 0.015 4.474 4.460 -0.001 0.000 0.411 512 C C 1.998 176.959 174.990 -0.048 0.000 1.386 512 C CA -0.306 58.640 59.018 -0.119 0.000 1.703 512 C CB -0.163 27.485 27.740 -0.153 0.000 2.596 512 C HN 0.782 nan 8.230 nan 0.000 0.605 513 M N 2.567 122.156 119.600 -0.018 0.000 2.557 513 M HA -0.035 4.445 4.480 -0.001 0.000 0.259 513 M C 1.454 177.790 176.300 0.059 0.000 1.086 513 M CA 1.294 56.632 55.300 0.064 0.000 1.096 513 M CB -0.931 31.759 32.600 0.151 0.000 1.424 513 M HN 0.819 nan 8.290 nan 0.000 0.488 514 D N -0.473 119.927 120.400 0.001 0.000 2.340 514 D HA 0.207 4.847 4.640 -0.001 0.000 0.217 514 D C 0.460 176.760 176.300 -0.000 0.000 1.081 514 D CA -0.084 53.914 54.000 -0.004 0.000 0.842 514 D CB -0.437 40.348 40.800 -0.026 0.000 0.934 514 D HN 0.064 nan 8.370 nan 0.000 0.511 515 A N 0.467 123.287 122.820 0.001 0.000 2.511 515 A HA 0.462 4.782 4.320 -0.001 0.000 0.242 515 A C 0.558 178.156 177.584 0.024 0.000 1.069 515 A CA 0.047 52.089 52.037 0.008 0.000 0.763 515 A CB -0.009 18.991 19.000 -0.001 0.000 1.001 515 A HN 0.488 nan 8.150 nan 0.000 0.498 516 V N 2.295 122.224 119.914 0.026 0.000 2.439 516 V HA 0.643 4.762 4.120 -0.001 0.000 0.282 516 V C 0.075 176.190 176.094 0.035 0.000 1.039 516 V CA -0.508 61.811 62.300 0.032 0.000 0.913 516 V CB 0.879 32.718 31.823 0.026 0.000 0.983 516 V HN 0.984 nan 8.190 nan 0.000 0.460 517 Q N 2.074 121.898 119.800 0.039 0.000 2.496 517 Q HA 0.293 4.633 4.340 -0.001 0.000 0.286 517 Q C 0.882 176.901 176.000 0.032 0.000 1.103 517 Q CA -0.660 55.154 55.803 0.018 0.000 0.813 517 Q CB 2.233 30.975 28.738 0.007 0.000 1.444 517 Q HN 0.931 nan 8.270 nan 0.000 0.443 518 N N 0.149 118.839 118.700 -0.017 0.000 2.104 518 N HA -0.157 4.583 4.740 -0.001 0.000 0.190 518 N C 0.659 176.301 175.510 0.220 0.000 1.024 518 N CA 1.415 54.491 53.050 0.043 0.000 0.853 518 N CB 0.162 38.633 38.487 -0.027 0.000 1.008 518 N HN 0.572 nan 8.380 nan 0.000 0.424 519 W N 0.773 122.099 121.300 0.044 0.000 2.800 519 W HA 0.303 4.963 4.660 -0.001 0.000 0.249 519 W C 1.339 177.918 176.519 0.100 0.000 1.294 519 W CA 0.872 58.264 57.345 0.078 0.000 1.402 519 W CB -0.751 28.762 29.460 0.088 0.000 1.126 519 W HN 0.195 nan 8.180 nan 0.000 0.652 520 G N -1.431 107.523 108.800 0.256 0.000 2.350 520 G HA2 0.326 4.285 3.960 -0.001 0.000 0.282 520 G HA3 0.326 4.285 3.960 -0.001 0.000 0.282 520 G C -0.787 174.153 174.900 0.068 0.000 1.314 520 G CA -0.538 44.646 45.100 0.139 0.000 0.915 520 G HN 0.022 nan 8.290 nan 0.000 0.499 521 K N -0.307 120.108 120.400 0.025 0.000 2.295 521 K HA 0.595 4.914 4.320 -0.001 0.000 0.270 521 K C 1.336 177.958 176.600 0.036 0.000 1.011 521 K CA 0.869 57.175 56.287 0.032 0.000 0.953 521 K CB 0.548 33.068 32.500 0.034 0.000 0.956 521 K HN 1.012 nan 8.250 nan 0.000 0.477 522 Q N 0.456 120.295 119.800 0.065 0.000 2.096 522 Q HA -0.241 4.099 4.340 -0.001 0.000 0.208 522 Q C 1.830 177.909 176.000 0.132 0.000 0.993 522 Q CA 2.755 58.614 55.803 0.093 0.000 0.862 522 Q CB -0.767 28.015 28.738 0.073 0.000 0.915 522 Q HN 0.879 nan 8.270 nan 0.000 0.416 523 Y N 0.333 120.632 120.300 -0.002 0.000 2.228 523 Y HA -0.305 4.244 4.550 -0.001 0.000 0.285 523 Y C 1.285 177.170 175.900 -0.026 0.000 1.178 523 Y CA 2.194 60.294 58.100 -0.000 0.000 1.202 523 Y CB 0.055 38.495 38.460 -0.034 0.000 0.974 523 Y HN 0.264 nan 8.280 nan 0.000 0.527 524 D N -1.385 118.988 120.400 -0.045 0.000 2.369 524 D HA -0.023 4.616 4.640 -0.001 0.000 0.231 524 D C 1.719 177.772 176.300 -0.411 0.000 0.967 524 D CA 1.534 55.276 54.000 -0.431 0.000 0.905 524 D CB -0.270 39.959 40.800 -0.952 0.000 1.044 524 D HN 0.294 nan 8.370 nan 0.000 0.487 525 V N -0.661 119.133 119.914 -0.199 0.000 3.342 525 V HA 0.149 4.269 4.120 -0.001 0.000 0.322 525 V C 1.723 177.846 176.094 0.049 0.000 1.370 525 V CA 0.052 62.340 62.300 -0.020 0.000 1.170 525 V CB -0.471 31.432 31.823 0.134 0.000 1.101 525 V HN 0.185 nan 8.190 nan 0.000 0.442 526 H N 1.440 120.488 119.070 -0.037 0.000 2.321 526 H HA -0.117 4.439 4.556 -0.001 0.000 0.300 526 H C 1.969 177.229 175.328 -0.112 0.000 1.087 526 H CA 2.112 58.118 56.048 -0.071 0.000 1.319 526 H CB 0.109 29.818 29.762 -0.087 0.000 1.379 526 H HN 0.546 nan 8.280 nan 0.000 0.501 527 S N 0.298 115.875 115.700 -0.205 0.000 2.603 527 S HA 0.045 4.514 4.470 -0.001 0.000 0.229 527 S C 1.929 176.414 174.600 -0.192 0.000 0.972 527 S CA 0.148 58.208 58.200 -0.234 0.000 0.935 527 S CB 0.040 63.163 63.200 -0.130 0.000 0.769 527 S HN 0.358 nan 8.310 nan 0.000 0.536 528 L N -0.758 120.366 121.223 -0.165 0.000 2.607 528 L HA 0.197 4.536 4.340 -0.001 0.000 0.228 528 L C 1.714 178.644 176.870 0.100 0.000 1.123 528 L CA 0.190 54.990 54.840 -0.067 0.000 0.890 528 L CB -0.268 41.808 42.059 0.029 0.000 1.103 528 L HN 0.297 nan 8.230 nan 0.000 0.468 529 Y N 1.365 121.609 120.300 -0.092 0.000 2.114 529 Y HA -0.192 4.358 4.550 -0.001 0.000 0.284 529 Y C 2.381 178.239 175.900 -0.071 0.000 1.143 529 Y CA 1.916 59.961 58.100 -0.092 0.000 1.135 529 Y CB -0.245 38.127 38.460 -0.147 0.000 0.980 529 Y HN 0.118 nan 8.280 nan 0.000 0.499 530 G N -1.160 107.740 108.800 0.167 0.000 2.442 530 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.219 530 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.219 530 G C 1.515 176.438 174.900 0.039 0.000 1.141 530 G CA 1.074 46.232 45.100 0.096 0.000 0.763 530 G HN 0.585 nan 8.290 nan 0.000 0.554 531 Y N 2.834 123.119 120.300 -0.026 0.000 2.114 531 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 531 Y C 3.111 178.932 175.900 -0.132 0.000 1.143 531 Y CA 2.045 60.138 58.100 -0.011 0.000 1.135 531 Y CB -0.525 37.974 38.460 0.066 0.000 0.980 531 Y HN 0.301 nan 8.280 nan 0.000 0.499 532 S N -0.239 115.322 115.700 -0.232 0.000 2.423 532 S HA -0.232 4.238 4.470 -0.001 0.000 0.231 532 S C 2.159 176.422 174.600 -0.561 0.000 1.014 532 S CA 1.280 59.208 58.200 -0.454 0.000 0.965 532 S CB -0.716 62.153 63.200 -0.553 0.000 0.785 532 S HN 0.648 nan 8.310 nan 0.000 0.495 533 M N 1.236 120.428 119.600 -0.680 0.000 2.254 533 M HA 0.064 4.544 4.480 -0.001 0.000 0.265 533 M C 2.336 178.277 176.300 -0.599 0.000 1.066 533 M CA 1.323 56.006 55.300 -1.027 0.000 1.123 533 M CB -0.523 31.426 32.600 -1.085 0.000 1.388 533 M HN 0.544 nan 8.290 nan 0.000 0.425 534 A N 0.714 123.307 122.820 -0.378 0.000 1.902 534 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 534 A C 1.898 179.308 177.584 -0.289 0.000 1.181 534 A CA 1.456 53.354 52.037 -0.232 0.000 0.623 534 A CB -0.867 18.066 19.000 -0.111 0.000 0.818 534 A HN 0.555 nan 8.150 nan 0.000 0.443 535 I N -0.181 120.083 120.570 -0.509 0.000 2.226 535 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 535 I C 2.958 178.941 176.117 -0.224 0.000 1.100 535 I CA 1.064 62.056 61.300 -0.514 0.000 1.374 535 I CB -0.306 37.306 38.000 -0.648 0.000 1.057 535 I HN 0.349 nan 8.210 nan 0.000 0.413 536 A N 0.251 122.933 122.820 -0.229 0.000 1.902 536 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 536 A C 2.369 180.053 177.584 0.167 0.000 1.181 536 A CA 2.464 54.476 52.037 -0.042 0.000 0.623 536 A CB -1.080 17.824 19.000 -0.161 0.000 0.818 536 A HN 0.406 nan 8.150 nan 0.000 0.443 537 T N -0.750 113.868 114.554 0.107 0.000 2.951 537 T HA -0.067 4.282 4.350 -0.001 0.000 0.268 537 T C 1.765 176.557 174.700 0.154 0.000 1.073 537 T CA 1.188 63.449 62.100 0.267 0.000 1.134 537 T CB -0.110 68.895 68.868 0.228 0.000 0.884 537 T HN 0.666 nan 8.240 nan 0.000 0.479 538 E N 0.883 121.129 120.200 0.077 0.000 2.110 538 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 538 E C 2.255 178.919 176.600 0.107 0.000 0.988 538 E CA 1.003 57.458 56.400 0.091 0.000 0.804 538 E CB 0.034 29.792 29.700 0.096 0.000 0.745 538 E HN 0.426 nan 8.360 nan 0.000 0.458 539 Q N 0.046 119.907 119.800 0.100 0.000 2.050 539 Q HA -0.116 4.224 4.340 -0.001 0.000 0.202 539 Q C 2.032 178.102 176.000 0.116 0.000 0.980 539 Q CA 1.820 57.686 55.803 0.105 0.000 0.840 539 Q CB -0.258 28.542 28.738 0.103 0.000 0.898 539 Q HN 0.348 nan 8.270 nan 0.000 0.424 540 A N -0.307 122.603 122.820 0.150 0.000 1.948 540 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 540 A C 2.276 179.924 177.584 0.107 0.000 1.177 540 A CA 1.677 53.771 52.037 0.096 0.000 0.636 540 A CB -0.907 18.122 19.000 0.047 0.000 0.815 540 A HN 0.268 nan 8.150 nan 0.000 0.449 541 V N -0.231 119.789 119.914 0.177 0.000 2.343 541 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 541 V C 2.745 178.972 176.094 0.222 0.000 1.051 541 V CA 2.106 64.573 62.300 0.279 0.000 1.036 541 V CB -0.642 31.340 31.823 0.264 0.000 0.654 541 V HN 0.538 nan 8.190 nan 0.000 0.451 542 Q N 0.253 120.138 119.800 0.141 0.000 2.124 542 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 542 Q C 2.465 178.496 176.000 0.052 0.000 0.977 542 Q CA 2.383 58.247 55.803 0.102 0.000 0.850 542 Q CB -0.704 28.084 28.738 0.083 0.000 0.901 542 Q HN 0.782 nan 8.270 nan 0.000 0.429 543 K N 0.284 120.698 120.400 0.023 0.000 2.001 543 K HA -0.048 4.272 4.320 -0.001 0.000 0.208 543 K C 2.252 178.786 176.600 -0.110 0.000 1.048 543 K CA 1.592 57.860 56.287 -0.032 0.000 0.932 543 K CB -1.112 31.366 32.500 -0.037 0.000 0.715 543 K HN 0.125 nan 8.250 nan 0.000 0.437 544 V N -0.305 119.500 119.914 -0.182 0.000 2.323 544 V HA 0.062 4.181 4.120 -0.001 0.000 0.244 544 V C 0.665 176.311 176.094 -0.746 0.000 1.041 544 V CA 0.856 62.833 62.300 -0.538 0.000 1.025 544 V CB -0.485 30.878 31.823 -0.766 0.000 0.656 544 V HN 0.507 nan 8.190 nan 0.000 0.451 545 F N 0.794 120.679 119.950 -0.110 0.000 2.451 545 F HA 0.481 5.008 4.527 -0.001 0.000 0.367 545 F C -2.614 173.173 175.800 -0.021 0.000 1.100 545 F CA -2.830 55.123 58.000 -0.078 0.000 1.171 545 F CB 0.219 39.200 39.000 -0.032 0.000 1.405 545 F HN 0.003 nan 8.300 nan 0.000 0.482 546 P HA 0.005 nan 4.420 nan 0.000 0.264 546 P C 0.519 177.875 177.300 0.093 0.000 1.193 546 P CA 0.600 63.743 63.100 0.070 0.000 0.763 546 P CB 0.508 32.226 31.700 0.030 0.000 0.810 547 N N 0.369 119.121 118.700 0.087 0.000 2.815 547 N HA -0.192 4.548 4.740 -0.001 0.000 0.247 547 N C -0.224 175.338 175.510 0.087 0.000 1.030 547 N CA 1.324 54.421 53.050 0.079 0.000 0.881 547 N CB -0.685 37.839 38.487 0.063 0.000 1.134 547 N HN 0.308 nan 8.380 nan 0.000 0.582 548 K N 0.125 120.597 120.400 0.118 0.000 2.109 548 K HA 0.326 4.646 4.320 -0.001 0.000 0.243 548 K C 1.301 177.952 176.600 0.084 0.000 1.006 548 K CA -0.451 55.901 56.287 0.107 0.000 0.917 548 K CB 0.473 33.054 32.500 0.134 0.000 1.081 548 K HN 0.172 nan 8.250 nan 0.000 0.468 549 R N 0.208 120.742 120.500 0.057 0.000 2.128 549 R HA -0.007 4.333 4.340 -0.001 0.000 0.211 549 R C 0.919 177.225 176.300 0.011 0.000 1.067 549 R CA 0.594 56.708 56.100 0.022 0.000 1.010 549 R CB 0.145 30.436 30.300 -0.015 0.000 0.922 549 R HN 0.866 nan 8.270 nan 0.000 0.457 550 S N -0.643 115.071 115.700 0.023 0.000 3.469 550 S HA -0.315 4.155 4.470 -0.001 0.000 0.628 550 S C -0.634 174.018 174.600 0.087 0.000 2.687 550 S CA 1.239 59.465 58.200 0.043 0.000 3.829 550 S CB -0.731 62.343 63.200 -0.209 0.000 0.258 550 S HN 0.254 nan 8.310 nan 0.000 1.222 551 F N 0.855 120.757 119.950 -0.080 0.000 2.604 551 F HA 0.732 5.259 4.527 -0.001 0.000 0.316 551 F C -1.104 174.660 175.800 -0.060 0.000 1.136 551 F CA -0.781 57.105 58.000 -0.190 0.000 0.989 551 F CB 1.127 39.970 39.000 -0.262 0.000 1.258 551 F HN 0.524 nan 8.300 nan 0.000 0.451 552 I N 7.392 127.580 120.570 -0.636 0.000 2.468 552 I HA 0.342 4.511 4.170 -0.001 0.000 0.284 552 I C -1.559 174.088 176.117 -0.783 0.000 1.038 552 I CA -0.838 60.141 61.300 -0.534 0.000 1.083 552 I CB 1.815 39.697 38.000 -0.196 0.000 1.223 552 I HN 0.424 nan 8.210 nan 0.000 0.443 553 L N 6.338 127.081 121.223 -0.799 0.000 2.280 553 L HA 0.591 4.931 4.340 -0.001 0.000 0.287 553 L C -0.062 176.773 176.870 -0.059 0.000 1.023 553 L CA 0.401 54.881 54.840 -0.600 0.000 0.819 553 L CB 1.595 43.158 42.059 -0.827 0.000 1.212 553 L HN 0.563 nan 8.230 nan 0.000 0.420 554 T N 3.778 118.356 114.554 0.041 0.000 2.918 554 T HA 0.423 4.772 4.350 -0.001 0.000 0.286 554 T C 0.782 175.679 174.700 0.328 0.000 1.026 554 T CA -0.410 61.810 62.100 0.200 0.000 1.031 554 T CB 1.512 70.447 68.868 0.112 0.000 1.046 554 T HN 0.832 nan 8.240 nan 0.000 0.479 555 R N 1.725 122.394 120.500 0.282 0.000 2.051 555 R HA 0.245 4.585 4.340 -0.001 0.000 0.218 555 R C 1.008 177.375 176.300 0.111 0.000 1.188 555 R CA 0.283 56.369 56.100 -0.024 0.000 0.992 555 R CB -0.396 29.793 30.300 -0.185 0.000 0.883 555 R HN 0.594 nan 8.270 nan 0.000 0.444 556 S N 0.283 116.063 115.700 0.133 0.000 2.576 556 S HA 0.152 4.622 4.470 -0.001 0.000 0.276 556 S C -0.726 173.977 174.600 0.171 0.000 1.339 556 S CA -0.103 58.196 58.200 0.165 0.000 1.039 556 S CB 0.821 64.102 63.200 0.134 0.000 0.902 556 S HN 0.424 nan 8.310 nan 0.000 0.516 557 T N 2.459 117.122 114.554 0.181 0.000 2.956 557 T HA 0.627 4.977 4.350 -0.001 0.000 0.312 557 T C -1.031 173.828 174.700 0.265 0.000 1.151 557 T CA -0.639 61.582 62.100 0.202 0.000 1.024 557 T CB 1.046 69.986 68.868 0.121 0.000 1.140 557 T HN 0.535 nan 8.240 nan 0.000 0.473 558 F N 1.410 121.411 119.950 0.086 0.000 2.661 558 F HA 0.777 5.304 4.527 -0.001 0.000 0.347 558 F C -0.034 175.744 175.800 -0.037 0.000 1.086 558 F CA -1.212 56.773 58.000 -0.026 0.000 1.016 558 F CB 1.136 40.001 39.000 -0.225 0.000 1.368 558 F HN 0.948 nan 8.300 nan 0.000 0.505 559 A N 1.340 123.603 122.820 -0.929 0.000 2.553 559 A HA 0.399 4.718 4.320 -0.001 0.000 0.258 559 A C 0.968 178.476 177.584 -0.127 0.000 1.069 559 A CA 0.810 52.514 52.037 -0.555 0.000 0.767 559 A CB -1.566 17.000 19.000 -0.723 0.000 0.997 559 A HN 2.060 nan 8.150 nan 0.000 0.512 560 G N 2.296 111.029 108.800 -0.111 0.000 2.176 560 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.252 560 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.252 560 G C 0.812 175.801 174.900 0.148 0.000 1.024 560 G CA 0.548 45.612 45.100 -0.060 0.000 0.755 560 G HN 1.172 nan 8.290 nan 0.000 0.507 561 S N -0.398 115.447 115.700 0.241 0.000 2.555 561 S HA 0.129 4.599 4.470 -0.001 0.000 0.230 561 S C 2.490 177.186 174.600 0.159 0.000 0.978 561 S CA 1.205 59.614 58.200 0.349 0.000 0.934 561 S CB 0.002 63.406 63.200 0.339 0.000 0.766 561 S HN 1.175 nan 8.310 nan 0.000 0.533 562 G N 1.977 110.817 108.800 0.067 0.000 2.450 562 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 562 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 562 G C 1.326 176.171 174.900 -0.092 0.000 1.130 562 G CA 0.555 45.662 45.100 0.011 0.000 0.760 562 G HN 0.458 nan 8.290 nan 0.000 0.557 563 R N -0.614 119.744 120.500 -0.236 0.000 2.193 563 R HA -0.073 4.267 4.340 -0.001 0.000 0.229 563 R C 1.869 177.872 176.300 -0.494 0.000 1.110 563 R CA 1.382 57.211 56.100 -0.452 0.000 0.988 563 R CB -0.078 29.799 30.300 -0.704 0.000 0.871 563 R HN 0.501 nan 8.270 nan 0.000 0.458 564 H N -2.605 116.461 119.070 -0.007 0.000 2.927 564 H HA 0.404 4.960 4.556 -0.001 0.000 0.255 564 H C 0.069 175.365 175.328 -0.053 0.000 0.974 564 H CA 0.644 56.675 56.048 -0.028 0.000 1.199 564 H CB 0.983 30.716 29.762 -0.049 0.000 1.447 564 H HN 0.215 nan 8.280 nan 0.000 0.467 565 A N 0.672 123.525 122.820 0.055 0.000 2.583 565 A HA 0.748 5.067 4.320 -0.001 0.000 0.289 565 A C -1.097 176.443 177.584 -0.072 0.000 1.151 565 A CA -0.122 51.888 52.037 -0.044 0.000 0.695 565 A CB 1.183 20.168 19.000 -0.026 0.000 1.290 565 A HN 0.223 nan 8.150 nan 0.000 0.419 566 A N -0.303 122.397 122.820 -0.201 0.000 2.294 566 A HA 0.737 5.056 4.320 -0.001 0.000 0.330 566 A C -0.582 176.915 177.584 -0.145 0.000 1.133 566 A CA -0.198 51.712 52.037 -0.211 0.000 0.836 566 A CB 0.531 19.283 19.000 -0.414 0.000 1.190 566 A HN 1.455 nan 8.150 nan 0.000 0.492 567 H N -0.391 118.550 119.070 -0.215 0.000 2.637 567 H HA 0.580 5.136 4.556 -0.001 0.000 0.363 567 H C -1.160 174.070 175.328 -0.163 0.000 1.131 567 H CA -0.668 55.267 56.048 -0.189 0.000 1.183 567 H CB 1.097 30.698 29.762 -0.269 0.000 1.637 567 H HN 0.861 nan 8.280 nan 0.000 0.531 568 W N 5.616 126.310 121.300 -1.010 0.000 2.719 568 W HA 0.417 5.076 4.660 -0.000 0.000 0.352 568 W C -0.945 174.985 176.519 -0.981 0.000 1.085 568 W CA -1.200 55.699 57.345 -0.744 0.000 1.187 568 W CB 0.967 30.195 29.460 -0.386 0.000 1.417 568 W HN 0.525 nan 8.180 nan 0.000 0.557 569 L N 4.237 125.033 121.223 -0.711 0.000 2.675 569 L HA 0.231 4.571 4.340 -0.001 0.000 0.238 569 L C 1.290 177.829 176.870 -0.552 0.000 1.155 569 L CA 0.984 55.517 54.840 -0.512 0.000 0.881 569 L CB -1.394 40.587 42.059 -0.130 0.000 1.008 569 L HN 1.025 nan 8.230 nan 0.000 0.443 570 G N 0.273 108.243 108.800 -1.384 0.000 2.568 570 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.222 570 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.222 570 G C -0.658 174.113 174.900 -0.214 0.000 1.321 570 G CA -0.437 44.017 45.100 -1.077 0.000 0.893 570 G HN 0.220 nan 8.290 nan 0.000 0.569 571 D N 2.437 122.852 120.400 0.024 0.000 2.558 571 D HA 0.345 4.985 4.640 -0.001 0.000 0.221 571 D C 1.174 177.653 176.300 0.298 0.000 1.143 571 D CA 0.018 54.069 54.000 0.086 0.000 1.010 571 D CB -0.348 40.566 40.800 0.190 0.000 1.068 571 D HN 0.656 nan 8.370 nan 0.000 0.511 572 N N -0.086 118.794 118.700 0.300 0.000 2.328 572 N HA 0.221 4.961 4.740 -0.001 0.000 0.277 572 N C -0.293 175.430 175.510 0.356 0.000 1.286 572 N CA -0.260 52.997 53.050 0.345 0.000 0.949 572 N CB 0.251 38.962 38.487 0.372 0.000 1.136 572 N HN -0.085 nan 8.380 nan 0.000 0.550 573 T N -1.544 113.200 114.554 0.318 0.000 2.886 573 T HA 0.663 5.013 4.350 -0.001 0.000 0.292 573 T C -0.518 174.320 174.700 0.230 0.000 1.012 573 T CA -0.669 61.563 62.100 0.220 0.000 0.982 573 T CB 1.438 70.420 68.868 0.190 0.000 1.018 573 T HN 0.741 nan 8.240 nan 0.000 0.451 574 A N 2.660 125.551 122.820 0.119 0.000 2.535 574 A HA 0.530 4.850 4.320 -0.001 0.000 0.290 574 A C 0.597 178.252 177.584 0.118 0.000 1.270 574 A CA -0.056 52.071 52.037 0.149 0.000 0.937 574 A CB -0.950 18.062 19.000 0.021 0.000 1.096 574 A HN 1.030 nan 8.150 nan 0.000 0.534 575 S N 1.687 117.454 115.700 0.111 0.000 2.560 575 S HA 0.350 4.820 4.470 -0.001 0.000 0.283 575 S C -0.124 174.376 174.600 -0.167 0.000 1.141 575 S CA -0.645 57.561 58.200 0.011 0.000 0.902 575 S CB 0.049 63.261 63.200 0.021 0.000 1.104 575 S HN 0.526 nan 8.310 nan 0.000 0.454 576 W N 2.390 123.575 121.300 -0.191 0.000 2.388 576 W HA 0.120 4.780 4.660 -0.001 0.000 0.294 576 W C 2.185 178.437 176.519 -0.446 0.000 1.212 576 W CA 1.275 58.443 57.345 -0.294 0.000 1.271 576 W CB -0.367 28.974 29.460 -0.199 0.000 1.126 576 W HN 0.853 nan 8.180 nan 0.000 0.535 577 E N 0.096 120.107 120.200 -0.316 0.000 2.048 577 E HA -0.302 4.048 4.350 -0.001 0.000 0.202 577 E C 2.122 177.938 176.600 -1.307 0.000 1.021 577 E CA 1.737 57.592 56.400 -0.909 0.000 0.825 577 E CB -0.466 28.568 29.700 -1.109 0.000 0.756 577 E HN 0.335 nan 8.360 nan 0.000 0.454 578 Q N -0.274 119.027 119.800 -0.832 0.000 2.226 578 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 578 Q C 2.079 177.957 176.000 -0.203 0.000 0.975 578 Q CA 0.835 56.454 55.803 -0.306 0.000 0.866 578 Q CB -0.133 28.658 28.738 0.087 0.000 0.915 578 Q HN 0.421 nan 8.270 nan 0.000 0.440 579 M N 0.340 119.572 119.600 -0.614 0.000 2.156 579 M HA -0.155 4.325 4.480 -0.001 0.000 0.264 579 M C 2.000 178.067 176.300 -0.388 0.000 1.067 579 M CA 1.358 56.088 55.300 -0.950 0.000 1.131 579 M CB -0.005 31.651 32.600 -1.574 0.000 1.368 579 M HN 0.133 nan 8.290 nan 0.000 0.416 580 E N -0.389 119.626 120.200 -0.310 0.000 2.072 580 E HA -0.223 4.127 4.350 -0.001 0.000 0.191 580 E C 1.614 178.285 176.600 0.119 0.000 0.985 580 E CA 1.334 57.675 56.400 -0.098 0.000 0.801 580 E CB -0.062 29.573 29.700 -0.109 0.000 0.750 580 E HN 0.610 nan 8.360 nan 0.000 0.452 581 W N 0.923 122.243 121.300 0.034 0.000 2.525 581 W HA -0.043 4.617 4.660 -0.000 0.000 0.259 581 W C 2.589 179.155 176.519 0.079 0.000 1.253 581 W CA 1.078 58.465 57.345 0.069 0.000 1.262 581 W CB -1.001 28.512 29.460 0.087 0.000 1.122 581 W HN 0.201 nan 8.180 nan 0.000 0.607 582 S N -0.140 115.733 115.700 0.289 0.000 2.428 582 S HA -0.133 4.337 4.470 -0.001 0.000 0.230 582 S C 1.772 176.450 174.600 0.130 0.000 1.014 582 S CA 0.935 59.272 58.200 0.228 0.000 0.957 582 S CB -0.703 62.688 63.200 0.318 0.000 0.784 582 S HN 0.210 nan 8.310 nan 0.000 0.499 583 I N 1.973 122.612 120.570 0.115 0.000 2.163 583 I HA -0.142 4.028 4.170 -0.001 0.000 0.240 583 I C 3.131 179.208 176.117 -0.066 0.000 1.081 583 I CA 1.698 62.984 61.300 -0.023 0.000 1.353 583 I CB -0.836 37.169 38.000 0.009 0.000 1.054 583 I HN 0.460 nan 8.210 nan 0.000 0.407 584 T N -0.076 114.504 114.554 0.044 0.000 2.915 584 T HA -0.066 4.284 4.350 -0.001 0.000 0.269 584 T C 1.813 176.584 174.700 0.118 0.000 1.071 584 T CA 1.471 63.609 62.100 0.063 0.000 1.132 584 T CB -0.473 68.510 68.868 0.191 0.000 0.878 584 T HN 0.471 nan 8.240 nan 0.000 0.479 585 G N 0.980 109.863 108.800 0.139 0.000 2.394 585 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.215 585 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.215 585 G C 1.605 176.621 174.900 0.194 0.000 1.165 585 G CA 0.778 45.995 45.100 0.195 0.000 0.784 585 G HN 0.558 nan 8.290 nan 0.000 0.535 586 M N 0.131 119.760 119.600 0.049 0.000 2.117 586 M HA 0.047 4.526 4.480 -0.001 0.000 0.262 586 M C 2.389 178.666 176.300 -0.040 0.000 1.065 586 M CA 1.355 56.648 55.300 -0.012 0.000 1.114 586 M CB -0.249 32.260 32.600 -0.152 0.000 1.361 586 M HN 0.187 nan 8.290 nan 0.000 0.408 587 L N 0.129 121.246 121.223 -0.177 0.000 2.131 587 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 587 L C 2.235 178.995 176.870 -0.184 0.000 1.092 587 L CA 1.413 56.057 54.840 -0.328 0.000 0.759 587 L CB -0.663 40.925 42.059 -0.786 0.000 0.903 587 L HN 0.406 nan 8.230 nan 0.000 0.435 588 E N -0.438 119.735 120.200 -0.046 0.000 2.106 588 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 588 E C 2.024 178.173 176.600 -0.751 0.000 0.984 588 E CA 1.158 57.410 56.400 -0.247 0.000 0.806 588 E CB -0.026 29.599 29.700 -0.126 0.000 0.750 588 E HN 0.342 nan 8.360 nan 0.000 0.458 589 F N 0.372 120.138 119.950 -0.307 0.000 2.325 589 F HA -0.096 4.430 4.527 -0.000 0.000 0.299 589 F C 2.477 178.215 175.800 -0.102 0.000 1.090 589 F CA 0.614 58.537 58.000 -0.129 0.000 1.392 589 F CB 0.064 39.119 39.000 0.091 0.000 1.053 589 F HN -0.089 nan 8.300 nan 0.000 0.521 590 S N 0.461 116.160 115.700 -0.001 0.000 2.359 590 S HA -0.174 4.296 4.470 -0.001 0.000 0.224 590 S C 2.158 176.734 174.600 -0.040 0.000 1.035 590 S CA 1.186 59.366 58.200 -0.034 0.000 1.018 590 S CB -0.500 62.642 63.200 -0.097 0.000 0.876 590 S HN 0.298 nan 8.310 nan 0.000 0.448 591 L N -0.018 121.132 121.223 -0.122 0.000 2.083 591 L HA -0.078 4.262 4.340 -0.001 0.000 0.209 591 L C 1.602 178.508 176.870 0.061 0.000 1.083 591 L CA 1.043 55.876 54.840 -0.013 0.000 0.752 591 L CB -0.697 41.329 42.059 -0.054 0.000 0.899 591 L HN 0.288 nan 8.230 nan 0.000 0.433 592 F N 0.540 120.505 119.950 0.024 0.000 2.816 592 F HA 0.215 4.741 4.527 -0.001 0.000 0.302 592 F C 1.813 177.647 175.800 0.056 0.000 1.178 592 F CA 0.030 58.013 58.000 -0.028 0.000 1.421 592 F CB -1.379 37.484 39.000 -0.229 0.000 1.114 592 F HN 0.183 nan 8.300 nan 0.000 0.573 593 G N 1.358 110.264 108.800 0.178 0.000 2.246 593 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.273 593 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.273 593 G C 0.143 175.096 174.900 0.087 0.000 1.055 593 G CA 0.065 45.208 45.100 0.072 0.000 0.851 593 G HN 0.423 nan 8.290 nan 0.000 0.500 594 I N 0.725 121.402 120.570 0.178 0.000 2.697 594 I HA 0.179 4.349 4.170 -0.001 0.000 0.279 594 I C -1.018 175.207 176.117 0.181 0.000 1.171 594 I CA -2.082 59.341 61.300 0.204 0.000 1.135 594 I CB 1.375 39.590 38.000 0.357 0.000 1.445 594 I HN -0.041 nan 8.210 nan 0.000 0.541 595 P HA -0.111 nan 4.420 nan 0.000 0.222 595 P C 0.708 178.135 177.300 0.211 0.000 1.153 595 P CA 0.602 63.742 63.100 0.067 0.000 0.798 595 P CB 0.616 32.267 31.700 -0.081 0.000 0.796 596 L N 1.224 122.656 121.223 0.349 0.000 2.375 596 L HA 0.342 4.681 4.340 -0.001 0.000 0.276 596 L C -0.494 176.477 176.870 0.168 0.000 1.162 596 L CA -0.234 54.807 54.840 0.335 0.000 0.991 596 L CB -0.354 41.786 42.059 0.134 0.000 1.315 596 L HN -0.259 nan 8.230 nan 0.000 0.431 597 V N 3.962 124.001 119.914 0.207 0.000 2.888 597 V HA 1.008 5.128 4.120 -0.001 0.000 0.309 597 V C -0.182 176.004 176.094 0.153 0.000 1.114 597 V CA 0.314 62.687 62.300 0.121 0.000 0.940 597 V CB 1.961 33.826 31.823 0.070 0.000 1.021 597 V HN 0.741 nan 8.190 nan 0.000 0.426 598 G N 3.090 111.960 108.800 0.116 0.000 2.649 598 G HA2 0.881 4.841 3.960 -0.001 0.000 0.290 598 G HA3 0.881 4.841 3.960 -0.001 0.000 0.290 598 G C -1.045 173.739 174.900 -0.194 0.000 1.426 598 G CA -0.105 44.906 45.100 -0.147 0.000 0.794 598 G HN 1.385 nan 8.290 nan 0.000 0.483 599 A N -0.644 121.890 122.820 -0.476 0.000 2.284 599 A HA 0.744 5.063 4.320 -0.001 0.000 0.317 599 A C -0.821 176.853 177.584 0.150 0.000 1.120 599 A CA -0.565 51.452 52.037 -0.035 0.000 0.900 599 A CB 0.928 19.988 19.000 0.100 0.000 1.319 599 A HN 0.427 nan 8.150 nan 0.000 0.494 600 D N 1.394 121.904 120.400 0.183 0.000 2.352 600 D HA 0.316 4.955 4.640 -0.001 0.000 0.245 600 D C -0.030 176.093 176.300 -0.294 0.000 1.224 600 D CA 0.443 54.474 54.000 0.052 0.000 0.879 600 D CB 0.269 41.173 40.800 0.174 0.000 1.057 600 D HN 0.359 nan 8.370 nan 0.000 0.491 601 I N 1.846 122.246 120.570 -0.283 0.000 2.741 601 I HA -0.152 4.018 4.170 -0.001 0.000 0.288 601 I C 1.106 176.739 176.117 -0.807 0.000 1.192 601 I CA -0.017 60.880 61.300 -0.672 0.000 1.426 601 I CB 0.199 38.116 38.000 -0.139 0.000 1.367 601 I HN 0.595 nan 8.210 nan 0.000 0.563 602 c N 3.871 121.653 118.600 -1.363 0.000 5.538 602 c HA -0.107 4.463 4.570 -0.001 0.000 0.254 602 c C 0.855 174.626 174.090 -0.532 0.000 1.712 602 c CA 0.259 56.246 56.329 -0.569 0.000 1.530 602 c CB -2.369 40.045 42.510 -0.160 0.000 2.410 602 c HN 1.569 nan 8.230 nan 0.000 0.564 603 G N -1.049 107.277 108.800 -0.791 0.000 3.338 603 G HA2 0.103 4.063 3.960 -0.001 0.000 0.686 603 G HA3 0.103 4.063 3.960 -0.001 0.000 0.686 603 G C -0.297 174.556 174.900 -0.078 0.000 1.053 603 G CA 0.109 45.030 45.100 -0.297 0.000 0.852 603 G HN 0.940 nan 8.290 nan 0.000 0.545 604 F N 3.010 122.903 119.950 -0.095 0.000 1.983 604 F HA 0.168 4.695 4.527 -0.001 0.000 0.295 604 F C 1.932 177.678 175.800 -0.090 0.000 1.197 604 F CA 2.045 60.026 58.000 -0.032 0.000 1.165 604 F CB -0.464 38.615 39.000 0.132 0.000 0.970 604 F HN 0.527 nan 8.300 nan 0.000 0.488 605 V N 1.317 121.231 119.914 -0.001 0.000 2.740 605 V HA 0.393 4.513 4.120 -0.001 0.000 0.303 605 V C 0.339 176.140 176.094 -0.489 0.000 1.054 605 V CA -0.515 61.635 62.300 -0.250 0.000 1.106 605 V CB -0.457 31.410 31.823 0.072 0.000 0.957 605 V HN 0.861 nan 8.190 nan 0.000 0.486 606 A N 3.575 125.702 122.820 -1.156 0.000 2.441 606 A HA -0.096 4.224 4.320 -0.001 0.000 0.686 606 A C -0.130 177.015 177.584 -0.733 0.000 0.143 606 A CA -0.041 51.447 52.037 -0.916 0.000 0.029 606 A CB -0.925 17.911 19.000 -0.274 0.000 3.973 606 A HN 0.864 nan 8.150 nan 0.000 0.548 607 E N 0.155 120.185 120.200 -0.283 0.000 2.331 607 E HA 0.435 4.784 4.350 -0.001 0.000 0.272 607 E C 0.453 177.044 176.600 -0.014 0.000 1.036 607 E CA 0.357 56.720 56.400 -0.062 0.000 0.864 607 E CB 1.238 30.982 29.700 0.072 0.000 1.035 607 E HN 0.746 nan 8.360 nan 0.000 0.408 608 T N 1.420 115.996 114.554 0.037 0.000 2.902 608 T HA 0.220 4.570 4.350 -0.001 0.000 0.280 608 T C -0.095 174.711 174.700 0.176 0.000 0.992 608 T CA -0.493 61.665 62.100 0.095 0.000 1.015 608 T CB 1.005 69.937 68.868 0.107 0.000 1.044 608 T HN 0.325 nan 8.240 nan 0.000 0.520 609 T N 3.087 117.739 114.554 0.163 0.000 2.899 609 T HA 0.215 4.565 4.350 -0.001 0.000 0.284 609 T C 1.379 176.200 174.700 0.201 0.000 1.004 609 T CA -0.744 61.476 62.100 0.201 0.000 1.043 609 T CB 1.308 70.303 68.868 0.211 0.000 1.013 609 T HN 0.717 nan 8.240 nan 0.000 0.518 610 E N 1.273 121.612 120.200 0.231 0.000 2.058 610 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 610 E C 1.910 178.496 176.600 -0.025 0.000 0.997 610 E CA 1.562 58.005 56.400 0.072 0.000 0.801 610 E CB -0.032 29.764 29.700 0.159 0.000 0.746 610 E HN 0.827 nan 8.360 nan 0.000 0.450 611 E N 0.069 120.331 120.200 0.104 0.000 2.031 611 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 611 E C 2.475 179.149 176.600 0.122 0.000 0.994 611 E CA 1.159 57.658 56.400 0.165 0.000 0.800 611 E CB -0.188 29.688 29.700 0.294 0.000 0.752 611 E HN 0.196 nan 8.360 nan 0.000 0.447 612 L N 0.825 122.078 121.223 0.049 0.000 2.017 612 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 612 L C 2.559 179.277 176.870 -0.253 0.000 1.073 612 L CA 2.035 56.597 54.840 -0.465 0.000 0.745 612 L CB -0.853 40.908 42.059 -0.497 0.000 0.894 612 L HN 0.344 nan 8.230 nan 0.000 0.432 613 c N -0.083 118.455 118.600 -0.103 0.000 2.432 613 c HA -0.091 4.479 4.570 -0.001 0.000 0.280 613 c C 3.050 177.065 174.090 -0.126 0.000 1.353 613 c CA 0.894 57.179 56.329 -0.074 0.000 1.766 613 c CB -1.049 41.388 42.510 -0.122 0.000 1.924 613 c HN 0.691 nan 8.230 nan 0.000 0.509 614 R N 0.054 120.450 120.500 -0.172 0.000 2.081 614 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 614 R C 2.403 178.671 176.300 -0.053 0.000 1.131 614 R CA 1.328 57.353 56.100 -0.124 0.000 0.960 614 R CB -0.244 29.997 30.300 -0.098 0.000 0.856 614 R HN 0.375 nan 8.270 nan 0.000 0.436 615 R N -0.175 120.293 120.500 -0.054 0.000 2.073 615 R HA -0.135 4.204 4.340 -0.001 0.000 0.229 615 R C 1.908 178.185 176.300 -0.039 0.000 1.120 615 R CA 0.926 56.992 56.100 -0.057 0.000 0.967 615 R CB -0.970 29.291 30.300 -0.066 0.000 0.862 615 R HN 0.421 nan 8.270 nan 0.000 0.436 616 W N 0.888 122.057 121.300 -0.218 0.000 2.374 616 W HA -0.072 4.588 4.660 -0.001 0.000 0.288 616 W C 1.718 178.155 176.519 -0.135 0.000 1.218 616 W CA 0.810 58.052 57.345 -0.172 0.000 1.245 616 W CB -0.147 29.216 29.460 -0.162 0.000 1.126 616 W HN 0.011 nan 8.180 nan 0.000 0.545 617 M N 0.086 119.756 119.600 0.116 0.000 2.175 617 M HA -0.181 4.299 4.480 -0.001 0.000 0.264 617 M C 1.930 178.220 176.300 -0.017 0.000 1.063 617 M CA 1.543 56.852 55.300 0.013 0.000 1.119 617 M CB -1.297 31.277 32.600 -0.043 0.000 1.377 617 M HN 0.129 nan 8.290 nan 0.000 0.415 618 Q N -0.341 119.442 119.800 -0.028 0.000 2.016 618 Q HA -0.187 4.153 4.340 -0.001 0.000 0.200 618 Q C 2.063 178.044 176.000 -0.032 0.000 0.978 618 Q CA 1.302 57.041 55.803 -0.106 0.000 0.833 618 Q CB -0.381 28.214 28.738 -0.239 0.000 0.895 618 Q HN 0.336 nan 8.270 nan 0.000 0.427 619 L N 0.619 121.820 121.223 -0.037 0.000 1.994 619 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 619 L C 2.159 178.948 176.870 -0.134 0.000 1.071 619 L CA 2.398 57.218 54.840 -0.033 0.000 0.745 619 L CB -1.137 40.873 42.059 -0.083 0.000 0.892 619 L HN 0.215 nan 8.230 nan 0.000 0.431 620 G N -0.944 107.726 108.800 -0.218 0.000 2.475 620 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.220 620 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.220 620 G C 1.573 176.403 174.900 -0.118 0.000 1.125 620 G CA 0.829 45.712 45.100 -0.361 0.000 0.755 620 G HN 0.705 nan 8.290 nan 0.000 0.565 621 A N -0.325 122.423 122.820 -0.120 0.000 2.131 621 A HA 0.180 4.499 4.320 -0.001 0.000 0.220 621 A C 1.544 178.835 177.584 -0.488 0.000 1.158 621 A CA 0.968 52.819 52.037 -0.310 0.000 0.665 621 A CB -0.355 18.378 19.000 -0.445 0.000 0.795 621 A HN 0.378 nan 8.150 nan 0.000 0.460 622 F N -2.910 117.095 119.950 0.091 0.000 2.724 622 F HA 0.311 4.838 4.527 -0.001 0.000 0.310 622 F C -0.284 175.926 175.800 0.684 0.000 1.107 622 F CA -1.036 57.127 58.000 0.271 0.000 1.218 622 F CB 0.231 39.152 39.000 -0.132 0.000 1.042 622 F HN 0.022 nan 8.300 nan 0.000 0.540 623 Y N 2.115 122.753 120.300 0.564 0.000 2.425 623 Y HA 0.163 4.713 4.550 -0.001 0.000 0.331 623 Y C -1.235 174.919 175.900 0.423 0.000 1.157 623 Y CA -3.141 55.224 58.100 0.441 0.000 1.372 623 Y CB -0.038 38.592 38.460 0.283 0.000 1.253 623 Y HN -0.091 nan 8.280 nan 0.000 0.536 624 P HA -0.208 nan 4.420 nan 0.000 0.215 624 P C -0.102 177.427 177.300 0.382 0.000 1.157 624 P CA 1.497 64.799 63.100 0.338 0.000 0.874 624 P CB 0.122 31.975 31.700 0.254 0.000 0.790 625 F N -0.097 119.983 119.950 0.216 0.000 2.388 625 F HA 0.522 5.049 4.527 -0.001 0.000 0.358 625 F C -0.180 175.739 175.800 0.199 0.000 1.122 625 F CA -1.091 56.988 58.000 0.132 0.000 1.056 625 F CB 0.910 39.955 39.000 0.075 0.000 1.155 625 F HN -0.328 nan 8.300 nan 0.000 0.461 626 S N 7.887 123.357 115.700 -0.383 0.000 2.601 626 S HA 0.518 4.987 4.470 -0.001 0.000 0.312 626 S C -0.798 173.559 174.600 -0.405 0.000 1.107 626 S CA -0.619 57.509 58.200 -0.120 0.000 1.129 626 S CB 0.015 63.325 63.200 0.183 0.000 0.982 626 S HN 0.874 nan 8.310 nan 0.000 0.469 627 R N 4.112 124.331 120.500 -0.469 0.000 2.564 627 R HA 0.327 4.666 4.340 -0.001 0.000 0.284 627 R C -1.442 174.702 176.300 -0.259 0.000 1.031 627 R CA -0.649 55.101 56.100 -0.584 0.000 0.904 627 R CB 0.960 30.779 30.300 -0.802 0.000 1.199 627 R HN 0.580 nan 8.270 nan 0.000 0.443 628 N N 2.719 121.269 118.700 -0.250 0.000 2.444 628 N HA 0.124 4.864 4.740 -0.001 0.000 0.271 628 N C -1.552 173.956 175.510 -0.003 0.000 1.069 628 N CA 0.188 53.213 53.050 -0.041 0.000 0.965 628 N CB 0.898 39.467 38.487 0.137 0.000 1.092 628 N HN 0.668 nan 8.380 nan 0.000 0.476 629 H N 2.044 121.067 119.070 -0.078 0.000 2.996 629 H HA 0.499 5.054 4.556 -0.001 0.000 0.368 629 H C -1.528 173.875 175.328 0.125 0.000 1.185 629 H CA -0.684 55.369 56.048 0.009 0.000 1.160 629 H CB 1.116 30.852 29.762 -0.043 0.000 1.820 629 H HN 0.544 nan 8.280 nan 0.000 0.547 630 N N 1.351 119.801 118.700 -0.417 0.000 2.277 630 N HA 0.314 5.054 4.740 -0.001 0.000 0.286 630 N C -1.263 173.925 175.510 -0.538 0.000 1.140 630 N CA -0.459 52.384 53.050 -0.346 0.000 0.799 630 N CB 2.613 40.933 38.487 -0.279 0.000 1.596 630 N HN 0.526 nan 8.380 nan 0.000 0.473 631 S N 0.419 115.628 115.700 -0.819 0.000 2.632 631 S HA 0.167 4.637 4.470 -0.001 0.000 0.267 631 S C -0.422 173.992 174.600 -0.310 0.000 1.276 631 S CA -0.382 57.352 58.200 -0.776 0.000 0.998 631 S CB 0.379 62.978 63.200 -1.001 0.000 0.953 631 S HN 0.570 nan 8.310 nan 0.000 0.547 632 D N 0.624 120.718 120.400 -0.510 0.000 2.488 632 D HA 0.361 5.001 4.640 -0.001 0.000 0.238 632 D C 1.269 177.153 176.300 -0.694 0.000 1.138 632 D CA 1.888 55.343 54.000 -0.909 0.000 0.873 632 D CB 0.136 39.840 40.800 -1.827 0.000 1.183 632 D HN 0.777 nan 8.370 nan 0.000 0.458 633 G N 2.449 110.883 108.800 -0.609 0.000 2.383 633 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.229 633 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.229 633 G C 0.132 174.695 174.900 -0.562 0.000 1.089 633 G CA 0.310 45.050 45.100 -0.600 0.000 0.640 633 G HN 0.532 nan 8.290 nan 0.000 0.510 634 Y N 1.926 122.036 120.300 -0.316 0.000 2.397 634 Y HA 0.534 5.084 4.550 -0.001 0.000 0.335 634 Y C 0.993 176.694 175.900 -0.332 0.000 1.213 634 Y CA -0.142 57.798 58.100 -0.267 0.000 1.391 634 Y CB 0.448 38.764 38.460 -0.240 0.000 1.293 634 Y HN 0.347 nan 8.280 nan 0.000 0.557 635 E N 1.353 121.480 120.200 -0.122 0.000 2.492 635 E HA -0.093 4.256 4.350 -0.001 0.000 0.266 635 E C -0.924 175.402 176.600 -0.458 0.000 1.047 635 E CA 0.123 56.358 56.400 -0.274 0.000 0.968 635 E CB 0.167 29.768 29.700 -0.164 0.000 0.960 635 E HN 0.524 nan 8.360 nan 0.000 0.452 636 H N 1.524 120.166 119.070 -0.713 0.000 3.016 636 H HA 0.008 4.564 4.556 -0.001 0.000 0.345 636 H C 0.319 175.187 175.328 -0.766 0.000 1.066 636 H CA 1.536 57.112 56.048 -0.787 0.000 1.390 636 H CB 0.503 29.650 29.762 -1.024 0.000 1.344 636 H HN 0.476 nan 8.280 nan 0.000 0.605 637 Q N 1.576 121.251 119.800 -0.208 0.000 2.055 637 Q HA 0.108 4.447 4.340 -0.001 0.000 0.226 637 Q C -0.946 175.204 176.000 0.249 0.000 0.805 637 Q CA -0.572 55.260 55.803 0.048 0.000 1.072 637 Q CB 0.438 29.226 28.738 0.083 0.000 1.219 637 Q HN 0.706 nan 8.270 nan 0.000 0.451 638 D N 0.581 121.094 120.400 0.189 0.000 2.362 638 D HA 0.091 4.730 4.640 -0.001 0.000 0.242 638 D C -1.807 174.707 176.300 0.357 0.000 1.132 638 D CA -1.357 52.783 54.000 0.233 0.000 0.907 638 D CB 1.602 42.496 40.800 0.157 0.000 1.195 638 D HN -0.170 nan 8.370 nan 0.000 0.429 639 P HA -0.170 nan 4.420 nan 0.000 0.214 639 P C 1.292 178.788 177.300 0.326 0.000 1.163 639 P CA 2.208 65.480 63.100 0.286 0.000 0.889 639 P CB -0.062 31.700 31.700 0.103 0.000 0.790 640 A N -1.864 121.074 122.820 0.195 0.000 2.172 640 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 640 A C 1.883 179.548 177.584 0.135 0.000 1.154 640 A CA 0.611 52.728 52.037 0.134 0.000 0.701 640 A CB -1.784 17.255 19.000 0.066 0.000 0.789 640 A HN 0.193 nan 8.150 nan 0.000 0.465 641 F N -0.988 118.977 119.950 0.025 0.000 2.502 641 F HA 0.048 4.575 4.527 -0.001 0.000 0.298 641 F C 1.126 176.830 175.800 -0.160 0.000 1.111 641 F CA 0.784 58.717 58.000 -0.112 0.000 1.445 641 F CB -0.091 38.789 39.000 -0.201 0.000 1.081 641 F HN 0.211 nan 8.300 nan 0.000 0.558 642 F N 1.090 121.060 119.950 0.033 0.000 2.797 642 F HA 0.365 4.891 4.527 -0.001 0.000 0.302 642 F C 1.048 176.790 175.800 -0.096 0.000 1.130 642 F CA 0.724 58.707 58.000 -0.028 0.000 1.387 642 F CB -0.235 38.812 39.000 0.078 0.000 1.107 642 F HN 0.033 nan 8.300 nan 0.000 0.577 643 G N 0.235 109.042 108.800 0.012 0.000 2.841 643 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.684 643 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.684 643 G C 0.086 174.996 174.900 0.017 0.000 1.273 643 G CA -0.845 44.243 45.100 -0.021 0.000 0.811 643 G HN -0.100 nan 8.290 nan 0.000 0.631 644 Q N 0.536 120.333 119.800 -0.005 0.000 2.170 644 Q HA -0.093 4.247 4.340 -0.001 0.000 0.203 644 Q C 1.629 177.635 176.000 0.010 0.000 0.976 644 Q CA 1.848 57.654 55.803 0.006 0.000 0.858 644 Q CB 0.039 28.775 28.738 -0.004 0.000 0.907 644 Q HN 0.656 nan 8.270 nan 0.000 0.433 645 N N 0.058 118.763 118.700 0.008 0.000 2.328 645 N HA 0.017 4.756 4.740 -0.001 0.000 0.247 645 N C -0.632 174.888 175.510 0.017 0.000 1.165 645 N CA -0.101 52.955 53.050 0.009 0.000 0.873 645 N CB 0.806 39.295 38.487 0.004 0.000 1.125 645 N HN 0.055 nan 8.380 nan 0.000 0.513 646 S N -0.302 115.416 115.700 0.029 0.000 2.592 646 S HA 0.124 4.594 4.470 -0.001 0.000 0.271 646 S C 1.171 175.788 174.600 0.028 0.000 1.326 646 S CA -0.715 57.510 58.200 0.042 0.000 1.024 646 S CB 1.081 64.331 63.200 0.083 0.000 0.921 646 S HN 0.118 nan 8.310 nan 0.000 0.527 647 L N 2.244 123.481 121.223 0.023 0.000 2.131 647 L HA 0.040 4.379 4.340 -0.001 0.000 0.210 647 L C 2.069 178.938 176.870 -0.000 0.000 1.092 647 L CA 1.496 56.344 54.840 0.013 0.000 0.759 647 L CB -1.045 41.024 42.059 0.017 0.000 0.903 647 L HN 0.931 nan 8.230 nan 0.000 0.435 648 L N -1.854 119.355 121.223 -0.023 0.000 2.046 648 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 648 L C 2.297 179.148 176.870 -0.032 0.000 1.077 648 L CA 1.340 56.135 54.840 -0.075 0.000 0.747 648 L CB -0.193 41.731 42.059 -0.225 0.000 0.896 648 L HN 0.086 nan 8.230 nan 0.000 0.432 649 V N 0.436 120.355 119.914 0.008 0.000 2.358 649 V HA -0.282 3.838 4.120 -0.001 0.000 0.246 649 V C 3.130 179.222 176.094 -0.003 0.000 1.047 649 V CA 2.253 64.563 62.300 0.016 0.000 1.035 649 V CB -0.963 30.883 31.823 0.038 0.000 0.658 649 V HN 0.614 nan 8.190 nan 0.000 0.452 650 K N -0.223 120.176 120.400 -0.001 0.000 2.032 650 K HA -0.273 4.046 4.320 -0.001 0.000 0.209 650 K C 2.451 179.040 176.600 -0.019 0.000 1.048 650 K CA 2.251 58.530 56.287 -0.012 0.000 0.927 650 K CB -1.371 31.125 32.500 -0.007 0.000 0.712 650 K HN 0.501 nan 8.250 nan 0.000 0.441 651 S N 0.233 115.939 115.700 0.011 0.000 2.345 651 S HA -0.144 4.326 4.470 -0.001 0.000 0.220 651 S C 2.412 177.070 174.600 0.097 0.000 1.031 651 S CA 1.947 60.190 58.200 0.072 0.000 0.996 651 S CB -0.507 62.758 63.200 0.108 0.000 0.882 651 S HN 0.620 nan 8.310 nan 0.000 0.445 652 S N 1.377 117.096 115.700 0.033 0.000 2.359 652 S HA -0.131 4.339 4.470 -0.001 0.000 0.224 652 S C 1.959 176.524 174.600 -0.058 0.000 1.035 652 S CA 1.481 59.668 58.200 -0.021 0.000 1.018 652 S CB -0.542 62.609 63.200 -0.082 0.000 0.876 652 S HN 0.592 nan 8.310 nan 0.000 0.448 653 R N 1.108 121.573 120.500 -0.059 0.000 2.073 653 R HA -0.119 4.220 4.340 -0.001 0.000 0.234 653 R C 2.576 178.824 176.300 -0.087 0.000 1.134 653 R CA 1.544 57.601 56.100 -0.072 0.000 0.952 653 R CB -0.322 29.947 30.300 -0.052 0.000 0.850 653 R HN 0.436 nan 8.270 nan 0.000 0.433 654 Q N -0.678 119.049 119.800 -0.121 0.000 2.096 654 Q HA -0.219 4.120 4.340 -0.001 0.000 0.204 654 Q C 1.506 177.330 176.000 -0.295 0.000 0.982 654 Q CA 1.891 57.551 55.803 -0.239 0.000 0.850 654 Q CB -0.036 28.476 28.738 -0.377 0.000 0.901 654 Q HN 0.532 nan 8.270 nan 0.000 0.422 655 Y N -0.453 119.836 120.300 -0.019 0.000 2.397 655 Y HA -0.024 4.526 4.550 -0.000 0.000 0.292 655 Y C 2.079 177.899 175.900 -0.133 0.000 1.115 655 Y CA 0.240 58.327 58.100 -0.022 0.000 1.208 655 Y CB 0.257 38.735 38.460 0.030 0.000 1.046 655 Y HN 0.061 nan 8.280 nan 0.000 0.552 656 L N -0.813 120.402 121.223 -0.014 0.000 2.093 656 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 656 L C 2.217 179.143 176.870 0.094 0.000 1.085 656 L CA 1.447 56.273 54.840 -0.024 0.000 0.755 656 L CB -0.723 41.255 42.059 -0.134 0.000 0.904 656 L HN 0.209 nan 8.230 nan 0.000 0.435 657 T N 0.226 114.790 114.554 0.017 0.000 2.746 657 T HA -0.171 4.178 4.350 -0.001 0.000 0.267 657 T C 1.913 176.691 174.700 0.129 0.000 1.039 657 T CA 1.345 63.476 62.100 0.051 0.000 1.142 657 T CB -0.188 68.675 68.868 -0.009 0.000 0.866 657 T HN 0.181 nan 8.240 nan 0.000 0.444 658 I N 0.682 121.307 120.570 0.091 0.000 2.163 658 I HA -0.210 3.960 4.170 -0.001 0.000 0.243 658 I C 2.813 179.004 176.117 0.123 0.000 1.085 658 I CA 1.310 62.690 61.300 0.133 0.000 1.347 658 I CB -0.349 37.741 38.000 0.150 0.000 1.044 658 I HN 0.163 nan 8.210 nan 0.000 0.408 659 R N 0.428 120.938 120.500 0.015 0.000 2.097 659 R HA -0.263 4.077 4.340 -0.001 0.000 0.236 659 R C 2.498 178.933 176.300 0.226 0.000 1.135 659 R CA 2.237 58.352 56.100 0.025 0.000 0.934 659 R CB -0.632 29.618 30.300 -0.082 0.000 0.846 659 R HN 0.207 nan 8.270 nan 0.000 0.431 660 Y N 0.986 121.358 120.300 0.120 0.000 2.193 660 Y HA -0.211 4.339 4.550 -0.001 0.000 0.285 660 Y C 2.675 178.711 175.900 0.227 0.000 1.166 660 Y CA 2.107 60.311 58.100 0.174 0.000 1.181 660 Y CB -0.643 37.904 38.460 0.145 0.000 0.976 660 Y HN 0.222 nan 8.280 nan 0.000 0.520 661 T N 0.074 114.838 114.554 0.350 0.000 2.759 661 T HA -0.175 4.175 4.350 -0.001 0.000 0.269 661 T C 1.772 176.683 174.700 0.351 0.000 1.042 661 T CA 1.365 63.651 62.100 0.310 0.000 1.140 661 T CB -0.445 68.588 68.868 0.275 0.000 0.864 661 T HN 0.267 nan 8.240 nan 0.000 0.455 662 L N 0.253 121.710 121.223 0.389 0.000 2.591 662 L HA 0.251 4.590 4.340 -0.001 0.000 0.228 662 L C 2.013 179.217 176.870 0.557 0.000 1.133 662 L CA 0.005 55.158 54.840 0.522 0.000 0.880 662 L CB -0.441 41.984 42.059 0.611 0.000 1.033 662 L HN 0.226 nan 8.230 nan 0.000 0.450 663 L N 0.457 121.922 121.223 0.403 0.000 2.043 663 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 663 L C -0.182 176.956 176.870 0.446 0.000 1.075 663 L CA 1.655 56.654 54.840 0.265 0.000 0.752 663 L CB -1.558 40.519 42.059 0.030 0.000 0.891 663 L HN 0.255 nan 8.230 nan 0.000 0.432 664 P HA -0.242 nan 4.420 nan 0.000 0.216 664 P C 1.509 179.328 177.300 0.865 0.000 1.153 664 P CA 1.423 65.072 63.100 0.915 0.000 0.858 664 P CB -0.100 32.080 31.700 0.799 0.000 0.789 665 F N 0.571 120.854 119.950 0.554 0.000 2.075 665 F HA -0.164 4.363 4.527 -0.001 0.000 0.297 665 F C 2.014 178.049 175.800 0.392 0.000 1.113 665 F CA 1.183 59.476 58.000 0.488 0.000 1.218 665 F CB -1.340 37.931 39.000 0.451 0.000 0.984 665 F HN -0.237 nan 8.300 nan 0.000 0.472 666 L N -0.189 121.072 121.223 0.063 0.000 2.012 666 L HA -0.252 4.088 4.340 -0.001 0.000 0.210 666 L C 2.305 179.195 176.870 0.034 0.000 1.073 666 L CA 2.091 56.749 54.840 -0.303 0.000 0.748 666 L CB -1.562 40.272 42.059 -0.375 0.000 0.891 666 L HN 0.338 nan 8.230 nan 0.000 0.431 667 Y N 0.084 120.453 120.300 0.114 0.000 2.207 667 Y HA -0.260 4.290 4.550 -0.000 0.000 0.287 667 Y C 2.446 178.516 175.900 0.285 0.000 1.156 667 Y CA 2.233 60.457 58.100 0.206 0.000 1.182 667 Y CB -0.664 37.950 38.460 0.257 0.000 0.979 667 Y HN 0.256 nan 8.280 nan 0.000 0.521 668 T N 0.813 115.609 114.554 0.404 0.000 2.821 668 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 668 T C 2.032 176.838 174.700 0.177 0.000 1.046 668 T CA 1.616 63.932 62.100 0.360 0.000 1.139 668 T CB -0.437 68.769 68.868 0.564 0.000 0.871 668 T HN 0.296 nan 8.240 nan 0.000 0.454 669 L N -0.451 120.771 121.223 -0.003 0.000 2.093 669 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 669 L C 2.237 178.966 176.870 -0.235 0.000 1.085 669 L CA 1.212 55.950 54.840 -0.170 0.000 0.755 669 L CB -0.600 41.205 42.059 -0.423 0.000 0.904 669 L HN 0.188 nan 8.230 nan 0.000 0.435 670 F N -0.807 119.007 119.950 -0.228 0.000 2.234 670 F HA -0.252 4.275 4.527 -0.001 0.000 0.299 670 F C 2.551 178.155 175.800 -0.326 0.000 1.087 670 F CA 1.430 59.266 58.000 -0.272 0.000 1.340 670 F CB -0.600 38.215 39.000 -0.310 0.000 1.031 670 F HN 0.047 nan 8.300 nan 0.000 0.500 671 Y N 0.971 121.052 120.300 -0.366 0.000 2.181 671 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 671 Y C 2.180 177.856 175.900 -0.373 0.000 1.146 671 Y CA 1.750 59.479 58.100 -0.618 0.000 1.164 671 Y CB -0.579 37.228 38.460 -1.088 0.000 0.982 671 Y HN -0.092 nan 8.280 nan 0.000 0.515 672 K N 0.210 120.365 120.400 -0.408 0.000 2.148 672 K HA -0.079 4.241 4.320 -0.001 0.000 0.204 672 K C 2.341 178.786 176.600 -0.259 0.000 1.050 672 K CA 0.977 57.065 56.287 -0.331 0.000 0.942 672 K CB -0.325 32.193 32.500 0.031 0.000 0.724 672 K HN 0.453 nan 8.250 nan 0.000 0.446 673 A N 0.507 123.192 122.820 -0.225 0.000 1.858 673 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 673 A C 1.963 179.424 177.584 -0.205 0.000 1.190 673 A CA 1.933 53.862 52.037 -0.180 0.000 0.617 673 A CB -0.823 18.070 19.000 -0.178 0.000 0.827 673 A HN 0.460 nan 8.150 nan 0.000 0.443 674 H N -0.983 117.889 119.070 -0.330 0.000 2.421 674 H HA -0.023 4.533 4.556 -0.001 0.000 0.298 674 H C 1.645 176.706 175.328 -0.445 0.000 1.087 674 H CA 1.896 57.740 56.048 -0.341 0.000 1.330 674 H CB 0.071 29.637 29.762 -0.326 0.000 1.388 674 H HN 0.158 nan 8.280 nan 0.000 0.526 675 V N -0.837 118.678 119.914 -0.665 0.000 2.436 675 V HA -0.048 4.071 4.120 -0.001 0.000 0.240 675 V C 1.470 177.066 176.094 -0.831 0.000 1.040 675 V CA 1.563 63.308 62.300 -0.924 0.000 1.052 675 V CB -0.337 30.631 31.823 -1.426 0.000 0.707 675 V HN 0.380 nan 8.190 nan 0.000 0.469 676 F N 0.178 119.939 119.950 -0.314 0.000 2.731 676 F HA 0.486 5.013 4.527 -0.001 0.000 0.298 676 F C 1.800 177.489 175.800 -0.185 0.000 1.106 676 F CA 0.693 58.566 58.000 -0.213 0.000 1.329 676 F CB 0.274 39.171 39.000 -0.171 0.000 1.100 676 F HN 0.279 nan 8.300 nan 0.000 0.592 677 G N 0.932 109.681 108.800 -0.084 0.000 2.141 677 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.242 677 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.242 677 G C 0.033 174.906 174.900 -0.045 0.000 0.982 677 G CA -0.203 44.839 45.100 -0.097 0.000 0.662 677 G HN 0.369 nan 8.290 nan 0.000 0.527 678 E N 0.843 121.035 120.200 -0.014 0.000 2.425 678 E HA 0.428 4.777 4.350 -0.001 0.000 0.258 678 E C 1.131 177.701 176.600 -0.050 0.000 1.151 678 E CA 0.706 57.104 56.400 -0.004 0.000 0.958 678 E CB 0.360 30.071 29.700 0.018 0.000 0.968 678 E HN 0.433 nan 8.360 nan 0.000 0.451 679 T N -1.732 112.806 114.554 -0.026 0.000 2.909 679 T HA 0.273 4.622 4.350 -0.001 0.000 0.286 679 T C 0.811 175.415 174.700 -0.161 0.000 1.002 679 T CA -0.991 61.064 62.100 -0.075 0.000 1.074 679 T CB 1.383 70.234 68.868 -0.029 0.000 0.984 679 T HN 0.164 nan 8.240 nan 0.000 0.495 680 V N 1.239 120.984 119.914 -0.281 0.000 2.339 680 V HA 0.311 4.431 4.120 -0.001 0.000 0.234 680 V C 1.768 177.724 176.094 -0.230 0.000 1.053 680 V CA 0.871 62.908 62.300 -0.438 0.000 1.042 680 V CB -0.956 30.328 31.823 -0.898 0.000 0.678 680 V HN 1.117 nan 8.190 nan 0.000 0.475 681 A N 2.714 125.458 122.820 -0.126 0.000 2.410 681 A HA 0.458 4.778 4.320 -0.001 0.000 0.292 681 A C 0.432 178.048 177.584 0.053 0.000 1.232 681 A CA -0.126 51.999 52.037 0.146 0.000 0.893 681 A CB -0.512 18.604 19.000 0.193 0.000 1.131 681 A HN 0.616 nan 8.150 nan 0.000 0.530 682 R N 3.242 123.801 120.500 0.098 0.000 2.664 682 R HA 0.721 5.061 4.340 -0.001 0.000 0.286 682 R C -3.050 173.218 176.300 -0.052 0.000 0.967 682 R CA -1.954 54.098 56.100 -0.079 0.000 0.933 682 R CB 1.659 31.915 30.300 -0.073 0.000 1.146 682 R HN 0.348 nan 8.270 nan 0.000 0.468 683 P HA -0.000 nan 4.420 nan 0.000 0.274 683 P C 0.858 178.205 177.300 0.079 0.000 1.231 683 P CA -0.498 62.508 63.100 -0.156 0.000 0.790 683 P CB 1.007 32.490 31.700 -0.361 0.000 0.951 684 V N 2.100 122.135 119.914 0.203 0.000 2.568 684 V HA -0.231 3.889 4.120 -0.001 0.000 0.253 684 V C 2.302 178.667 176.094 0.453 0.000 1.072 684 V CA 2.101 64.628 62.300 0.378 0.000 1.084 684 V CB -1.429 30.621 31.823 0.378 0.000 0.676 684 V HN 0.557 nan 8.190 nan 0.000 0.469 685 L N -2.355 119.093 121.223 0.375 0.000 2.376 685 L HA -0.035 4.305 4.340 -0.001 0.000 0.219 685 L C 2.287 179.410 176.870 0.421 0.000 1.133 685 L CA 1.625 56.708 54.840 0.405 0.000 0.816 685 L CB -1.145 41.086 42.059 0.287 0.000 0.933 685 L HN 0.308 nan 8.230 nan 0.000 0.449 686 H N 0.201 119.378 119.070 0.178 0.000 2.421 686 H HA -0.045 4.511 4.556 -0.001 0.000 0.298 686 H C 1.456 176.891 175.328 0.178 0.000 1.087 686 H CA 1.415 57.558 56.048 0.158 0.000 1.330 686 H CB 0.460 30.272 29.762 0.083 0.000 1.388 686 H HN 0.519 nan 8.280 nan 0.000 0.526 687 E N 0.046 120.320 120.200 0.123 0.000 2.340 687 E HA 0.019 4.369 4.350 -0.001 0.000 0.198 687 E C 0.060 176.243 176.600 -0.695 0.000 0.961 687 E CA 0.313 56.504 56.400 -0.349 0.000 0.905 687 E CB 0.399 29.685 29.700 -0.690 0.000 0.884 687 E HN 0.329 nan 8.360 nan 0.000 0.491 688 F N 0.805 120.805 119.950 0.084 0.000 2.879 688 F HA 0.148 4.675 4.527 -0.001 0.000 0.354 688 F C 0.801 176.648 175.800 0.077 0.000 1.291 688 F CA -0.882 57.129 58.000 0.020 0.000 1.238 688 F CB -0.359 38.758 39.000 0.194 0.000 1.005 688 F HN -0.039 nan 8.300 nan 0.000 0.508 689 Y N -1.093 119.408 120.300 0.335 0.000 2.421 689 Y HA -0.013 4.537 4.550 -0.001 0.000 0.292 689 Y C 1.390 177.557 175.900 0.444 0.000 1.136 689 Y CA 0.534 58.882 58.100 0.412 0.000 1.255 689 Y CB -0.975 37.609 38.460 0.207 0.000 0.991 689 Y HN 0.096 nan 8.280 nan 0.000 0.552 690 E N 0.338 120.648 120.200 0.185 0.000 2.401 690 E HA -0.109 4.241 4.350 -0.001 0.000 0.199 690 E C -0.077 176.607 176.600 0.140 0.000 1.023 690 E CA 1.158 57.682 56.400 0.206 0.000 0.859 690 E CB -0.144 29.605 29.700 0.081 0.000 0.780 690 E HN 0.376 nan 8.360 nan 0.000 0.523 691 D N -0.222 120.265 120.400 0.144 0.000 2.381 691 D HA 0.049 4.688 4.640 -0.001 0.000 0.235 691 D C 0.583 176.754 176.300 -0.214 0.000 1.068 691 D CA -0.258 53.755 54.000 0.020 0.000 0.832 691 D CB 1.159 42.048 40.800 0.149 0.000 1.101 691 D HN 0.007 nan 8.370 nan 0.000 0.515 692 T N 1.000 115.216 114.554 -0.563 0.000 3.155 692 T HA -0.071 4.279 4.350 -0.001 0.000 0.264 692 T C 1.126 175.437 174.700 -0.649 0.000 1.160 692 T CA 0.422 61.797 62.100 -1.208 0.000 1.075 692 T CB -0.011 68.099 68.868 -1.264 0.000 0.921 692 T HN 0.233 nan 8.240 nan 0.000 0.533 693 N N 1.964 120.419 118.700 -0.408 0.000 2.354 693 N HA -0.038 4.702 4.740 -0.001 0.000 0.179 693 N C 2.163 177.383 175.510 -0.484 0.000 1.021 693 N CA 1.339 54.110 53.050 -0.465 0.000 0.887 693 N CB -0.216 37.884 38.487 -0.645 0.000 0.974 693 N HN 0.732 nan 8.380 nan 0.000 0.437 694 S N -0.542 115.024 115.700 -0.223 0.000 2.453 694 S HA -0.066 4.403 4.470 -0.001 0.000 0.231 694 S C 1.555 176.359 174.600 0.340 0.000 1.005 694 S CA 0.181 58.444 58.200 0.104 0.000 0.949 694 S CB -0.453 62.982 63.200 0.391 0.000 0.774 694 S HN 0.271 nan 8.310 nan 0.000 0.510 695 W N 2.743 124.064 121.300 0.036 0.000 2.392 695 W HA 0.137 4.797 4.660 -0.001 0.000 0.279 695 W C 2.151 178.843 176.519 0.289 0.000 1.225 695 W CA 0.321 57.740 57.345 0.124 0.000 1.233 695 W CB -0.720 28.667 29.460 -0.122 0.000 1.122 695 W HN 0.577 nan 8.180 nan 0.000 0.561 696 I N -2.642 118.173 120.570 0.409 0.000 3.941 696 I HA 0.225 4.395 4.170 -0.001 0.000 0.321 696 I C 0.544 176.821 176.117 0.268 0.000 1.284 696 I CA -0.081 61.424 61.300 0.343 0.000 1.226 696 I CB -0.329 37.814 38.000 0.238 0.000 1.045 696 I HN -0.349 nan 8.210 nan 0.000 0.420 697 E N 3.550 123.877 120.200 0.213 0.000 2.324 697 E HA 0.032 4.382 4.350 -0.001 0.000 0.271 697 E C -0.481 176.243 176.600 0.208 0.000 1.028 697 E CA 0.388 56.887 56.400 0.164 0.000 0.890 697 E CB 0.447 30.222 29.700 0.125 0.000 1.004 697 E HN 0.588 nan 8.360 nan 0.000 0.431 698 D N 1.141 121.644 120.400 0.171 0.000 2.783 698 D HA -0.013 4.626 4.640 -0.001 0.000 0.306 698 D C 0.008 176.383 176.300 0.124 0.000 1.633 698 D CA 0.010 54.094 54.000 0.141 0.000 0.796 698 D CB -0.549 40.377 40.800 0.210 0.000 1.230 698 D HN 0.318 nan 8.370 nan 0.000 0.441 699 T N -1.961 112.665 114.554 0.120 0.000 3.129 699 T HA 0.309 4.658 4.350 -0.001 0.000 0.267 699 T C 0.252 175.021 174.700 0.114 0.000 1.018 699 T CA -0.319 61.845 62.100 0.107 0.000 0.903 699 T CB 0.114 69.026 68.868 0.075 0.000 1.067 699 T HN 0.380 nan 8.240 nan 0.000 0.549 700 E N 0.767 121.056 120.200 0.149 0.000 2.392 700 E HA 0.647 4.996 4.350 -0.001 0.000 0.279 700 E C -1.233 175.524 176.600 0.262 0.000 0.964 700 E CA -1.401 55.087 56.400 0.146 0.000 0.777 700 E CB 1.566 31.258 29.700 -0.013 0.000 1.249 700 E HN 0.308 nan 8.360 nan 0.000 0.449 701 F N -0.742 119.202 119.950 -0.011 0.000 2.726 701 F HA 0.764 5.290 4.527 -0.001 0.000 0.324 701 F C -1.817 174.022 175.800 0.065 0.000 1.140 701 F CA -1.485 56.529 58.000 0.024 0.000 0.964 701 F CB 1.115 40.130 39.000 0.026 0.000 1.399 701 F HN 0.327 nan 8.300 nan 0.000 0.491 702 L N 0.693 122.034 121.223 0.197 0.000 2.354 702 L HA 0.413 4.753 4.340 -0.001 0.000 0.269 702 L C -1.501 175.619 176.870 0.418 0.000 1.005 702 L CA -0.613 54.333 54.840 0.177 0.000 0.819 702 L CB 1.640 43.853 42.059 0.256 0.000 1.311 702 L HN 0.539 nan 8.230 nan 0.000 0.423 703 W N 2.529 123.896 121.300 0.111 0.000 2.342 703 W HA 0.533 5.192 4.660 -0.001 0.000 0.310 703 W C 0.951 177.550 176.519 0.134 0.000 1.128 703 W CA 0.038 57.455 57.345 0.121 0.000 1.322 703 W CB 0.232 29.791 29.460 0.165 0.000 1.251 703 W HN 0.801 nan 8.180 nan 0.000 0.439 704 G N 5.771 114.688 108.800 0.194 0.000 2.594 704 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.297 704 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.297 704 G C -1.278 173.725 174.900 0.172 0.000 1.273 704 G CA 0.348 45.535 45.100 0.145 0.000 0.974 704 G HN 0.355 nan 8.290 nan 0.000 0.552 705 P HA 0.239 nan 4.420 nan 0.000 0.235 705 P C 1.268 178.432 177.300 -0.226 0.000 1.177 705 P CA 2.238 65.273 63.100 -0.108 0.000 0.785 705 P CB 0.251 31.784 31.700 -0.279 0.000 0.885 706 A N -0.803 121.978 122.820 -0.064 0.000 2.035 706 A HA 0.253 4.573 4.320 -0.001 0.000 0.208 706 A C 0.872 178.584 177.584 0.213 0.000 1.206 706 A CA 0.263 52.232 52.037 -0.114 0.000 0.773 706 A CB -0.458 18.429 19.000 -0.188 0.000 0.878 706 A HN 0.203 nan 8.150 nan 0.000 0.469 707 L N 0.502 121.926 121.223 0.335 0.000 2.313 707 L HA 0.666 5.006 4.340 -0.001 0.000 0.283 707 L C -1.027 175.937 176.870 0.157 0.000 1.013 707 L CA -0.700 54.300 54.840 0.268 0.000 0.816 707 L CB 1.672 43.881 42.059 0.251 0.000 1.236 707 L HN 0.221 nan 8.230 nan 0.000 0.419 708 L N 6.449 127.736 121.223 0.106 0.000 2.282 708 L HA 0.611 4.951 4.340 -0.001 0.000 0.288 708 L C -1.005 175.663 176.870 -0.338 0.000 1.033 708 L CA 0.097 54.863 54.840 -0.124 0.000 0.807 708 L CB 1.147 43.014 42.059 -0.320 0.000 1.209 708 L HN 0.551 nan 8.230 nan 0.000 0.423 709 I N 4.472 124.713 120.570 -0.549 0.000 2.382 709 I HA 0.355 4.525 4.170 -0.001 0.000 0.285 709 I C -0.439 175.379 176.117 -0.500 0.000 1.007 709 I CA -0.055 60.806 61.300 -0.731 0.000 1.142 709 I CB 1.624 38.902 38.000 -1.204 0.000 1.289 709 I HN 0.547 nan 8.210 nan 0.000 0.453 710 T N 7.112 121.458 114.554 -0.347 0.000 2.893 710 T HA 0.397 4.747 4.350 -0.001 0.000 0.324 710 T C -2.558 172.033 174.700 -0.182 0.000 1.082 710 T CA -1.379 60.597 62.100 -0.207 0.000 0.983 710 T CB 0.892 69.662 68.868 -0.162 0.000 1.005 710 T HN 0.267 nan 8.240 nan 0.000 0.475 711 P HA 0.425 nan 4.420 nan 0.000 0.282 711 P C -0.479 176.783 177.300 -0.064 0.000 1.259 711 P CA -0.623 62.413 63.100 -0.107 0.000 0.826 711 P CB 1.085 32.752 31.700 -0.055 0.000 1.064 712 V N 3.156 123.039 119.914 -0.051 0.000 2.488 712 V HA 0.120 4.240 4.120 -0.001 0.000 0.277 712 V C 1.299 177.439 176.094 0.076 0.000 1.046 712 V CA 0.324 62.627 62.300 0.005 0.000 0.986 712 V CB 0.289 32.124 31.823 0.020 0.000 0.989 712 V HN 0.462 nan 8.190 nan 0.000 0.475 713 L N 4.176 125.452 121.223 0.087 0.000 3.217 713 L HA 0.343 4.683 4.340 -0.001 0.000 0.288 713 L C 0.295 177.270 176.870 0.174 0.000 1.202 713 L CA -0.030 54.888 54.840 0.130 0.000 1.027 713 L CB 0.363 42.439 42.059 0.027 0.000 1.427 713 L HN 0.453 nan 8.230 nan 0.000 0.600 714 K N 1.288 121.699 120.400 0.017 0.000 2.207 714 K HA 0.320 4.640 4.320 -0.001 0.000 0.255 714 K C -0.402 175.760 176.600 -0.729 0.000 0.941 714 K CA -0.540 55.609 56.287 -0.231 0.000 0.825 714 K CB 2.073 34.469 32.500 -0.173 0.000 1.119 714 K HN -0.139 nan 8.250 nan 0.000 0.430 715 Q N 0.460 119.506 119.800 -1.257 0.000 2.330 715 Q HA 0.070 4.409 4.340 -0.001 0.000 0.279 715 Q C 0.691 176.238 176.000 -0.755 0.000 1.024 715 Q CA 1.640 56.407 55.803 -1.726 0.000 0.900 715 Q CB 0.446 28.303 28.738 -1.468 0.000 1.221 715 Q HN 0.892 nan 8.270 nan 0.000 0.396 716 G N 2.644 111.126 108.800 -0.530 0.000 2.212 716 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.266 716 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.266 716 G C 0.271 175.076 174.900 -0.159 0.000 0.978 716 G CA 0.336 45.295 45.100 -0.235 0.000 0.632 716 G HN 0.981 nan 8.290 nan 0.000 0.537 717 A N -0.049 122.654 122.820 -0.195 0.000 2.462 717 A HA 0.556 4.876 4.320 -0.001 0.000 0.243 717 A C 0.966 178.516 177.584 -0.056 0.000 1.076 717 A CA 1.168 53.138 52.037 -0.111 0.000 0.773 717 A CB 0.468 19.396 19.000 -0.119 0.000 1.010 717 A HN 0.317 nan 8.150 nan 0.000 0.493 718 D N -0.245 120.142 120.400 -0.022 0.000 2.454 718 D HA 0.175 4.814 4.640 -0.001 0.000 0.214 718 D C 0.102 176.404 176.300 0.004 0.000 1.088 718 D CA 0.934 54.937 54.000 0.005 0.000 0.855 718 D CB 0.580 41.443 40.800 0.105 0.000 1.025 718 D HN 0.463 nan 8.370 nan 0.000 0.502 719 T N -0.565 113.999 114.554 0.017 0.000 2.900 719 T HA 0.556 4.906 4.350 -0.001 0.000 0.303 719 T C -1.922 172.769 174.700 -0.016 0.000 1.142 719 T CA -0.630 61.493 62.100 0.039 0.000 1.007 719 T CB 1.868 70.792 68.868 0.094 0.000 1.156 719 T HN -0.224 nan 8.240 nan 0.000 0.490 720 V N 2.346 122.241 119.914 -0.032 0.000 2.733 720 V HA 0.741 4.861 4.120 -0.001 0.000 0.306 720 V C -0.399 175.647 176.094 -0.079 0.000 1.084 720 V CA -0.521 61.747 62.300 -0.054 0.000 0.905 720 V CB 2.151 33.939 31.823 -0.059 0.000 1.010 720 V HN 0.858 nan 8.190 nan 0.000 0.424 721 S N 5.367 121.025 115.700 -0.070 0.000 2.430 721 S HA 0.737 5.207 4.470 -0.001 0.000 0.282 721 S C 0.041 174.584 174.600 -0.095 0.000 1.186 721 S CA 0.298 58.445 58.200 -0.088 0.000 1.060 721 S CB -0.075 63.091 63.200 -0.056 0.000 0.966 721 S HN 1.677 nan 8.310 nan 0.000 0.501 722 A N 4.939 127.662 122.820 -0.161 0.000 2.371 722 A HA 0.568 4.888 4.320 -0.001 0.000 0.311 722 A C -1.220 176.258 177.584 -0.178 0.000 1.068 722 A CA -0.666 51.270 52.037 -0.168 0.000 0.744 722 A CB 0.793 19.644 19.000 -0.247 0.000 1.239 722 A HN 0.902 nan 8.150 nan 0.000 0.435 723 Y N 3.493 123.665 120.300 -0.214 0.000 2.425 723 Y HA 0.508 5.058 4.550 -0.000 0.000 0.347 723 Y C -0.179 175.545 175.900 -0.294 0.000 0.976 723 Y CA -1.091 56.882 58.100 -0.212 0.000 1.190 723 Y CB 0.503 38.889 38.460 -0.122 0.000 1.136 723 Y HN 0.658 nan 8.280 nan 0.000 0.517 724 I N 8.555 128.600 120.570 -0.875 0.000 2.315 724 I HA 0.621 4.790 4.170 -0.001 0.000 0.291 724 I C -2.885 172.613 176.117 -1.032 0.000 1.006 724 I CA -2.697 58.049 61.300 -0.923 0.000 1.265 724 I CB 1.170 38.727 38.000 -0.737 0.000 1.387 724 I HN 0.363 nan 8.210 nan 0.000 0.475 725 P HA 0.133 nan 4.420 nan 0.000 0.286 725 P C -0.899 176.232 177.300 -0.281 0.000 1.293 725 P CA -0.213 62.434 63.100 -0.755 0.000 0.770 725 P CB 0.384 31.401 31.700 -1.138 0.000 1.206 726 D N -0.625 119.645 120.400 -0.217 0.000 2.608 726 D HA 0.430 5.069 4.640 -0.001 0.000 0.224 726 D C -0.631 175.702 176.300 0.055 0.000 1.123 726 D CA 0.153 54.153 54.000 -0.001 0.000 1.030 726 D CB -1.243 39.610 40.800 0.088 0.000 1.093 726 D HN 0.373 nan 8.370 nan 0.000 0.497 727 A N 2.090 124.900 122.820 -0.017 0.000 2.529 727 A HA 0.576 4.895 4.320 -0.001 0.000 0.296 727 A C -0.895 176.450 177.584 -0.398 0.000 1.205 727 A CA -0.760 51.152 52.037 -0.208 0.000 0.671 727 A CB 0.752 19.544 19.000 -0.346 0.000 1.301 727 A HN 0.261 nan 8.150 nan 0.000 0.450 728 I N 0.467 120.752 120.570 -0.475 0.000 2.342 728 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 728 I C -1.116 174.577 176.117 -0.706 0.000 1.010 728 I CA 0.124 61.155 61.300 -0.448 0.000 1.308 728 I CB 0.747 38.565 38.000 -0.304 0.000 1.400 728 I HN 0.609 nan 8.210 nan 0.000 0.488 729 W N 5.612 126.730 121.300 -0.304 0.000 2.666 729 W HA 0.523 5.182 4.660 -0.001 0.000 0.334 729 W C -0.964 175.324 176.519 -0.385 0.000 1.051 729 W CA -0.515 56.703 57.345 -0.211 0.000 1.224 729 W CB 1.092 30.481 29.460 -0.118 0.000 1.405 729 W HN 0.214 nan 8.180 nan 0.000 0.513 730 Y N 1.014 121.528 120.300 0.358 0.000 2.409 730 Y HA 0.220 4.770 4.550 -0.000 0.000 0.343 730 Y C 0.105 176.176 175.900 0.285 0.000 0.973 730 Y CA -1.222 57.009 58.100 0.218 0.000 1.064 730 Y CB 1.382 39.904 38.460 0.104 0.000 1.207 730 Y HN 0.316 nan 8.280 nan 0.000 0.452 731 D N 1.177 121.760 120.400 0.305 0.000 2.425 731 D HA -0.086 4.554 4.640 -0.001 0.000 0.247 731 D C 0.595 176.942 176.300 0.078 0.000 1.147 731 D CA 0.434 54.488 54.000 0.089 0.000 0.879 731 D CB 0.540 41.360 40.800 0.032 0.000 1.179 731 D HN 0.571 nan 8.370 nan 0.000 0.456 732 Y N 3.286 123.538 120.300 -0.080 0.000 2.163 732 Y HA -0.126 4.423 4.550 -0.001 0.000 0.288 732 Y C 1.835 177.724 175.900 -0.018 0.000 1.136 732 Y CA 1.712 59.799 58.100 -0.023 0.000 1.147 732 Y CB 0.117 38.555 38.460 -0.037 0.000 0.987 732 Y HN 0.588 nan 8.280 nan 0.000 0.509 733 E N -0.390 119.848 120.200 0.063 0.000 2.028 733 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 733 E C 2.418 178.958 176.600 -0.100 0.000 0.988 733 E CA 2.009 58.400 56.400 -0.015 0.000 0.799 733 E CB -0.220 29.519 29.700 0.065 0.000 0.755 733 E HN 0.553 nan 8.360 nan 0.000 0.447 734 S N -1.452 114.212 115.700 -0.060 0.000 2.406 734 S HA 0.076 4.546 4.470 -0.001 0.000 0.224 734 S C 1.768 176.317 174.600 -0.086 0.000 1.030 734 S CA 0.782 58.943 58.200 -0.064 0.000 0.958 734 S CB 0.427 63.607 63.200 -0.034 0.000 0.811 734 S HN 0.439 nan 8.310 nan 0.000 0.489 735 G N 0.933 109.692 108.800 -0.069 0.000 2.175 735 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.244 735 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.244 735 G C 0.194 175.125 174.900 0.053 0.000 0.982 735 G CA -0.004 45.058 45.100 -0.063 0.000 0.641 735 G HN 1.312 nan 8.290 nan 0.000 0.527 736 A N 0.427 123.284 122.820 0.061 0.000 2.409 736 A HA 0.583 4.903 4.320 -0.001 0.000 0.262 736 A C 0.738 178.400 177.584 0.131 0.000 1.113 736 A CA 0.475 52.553 52.037 0.069 0.000 0.790 736 A CB 0.398 19.391 19.000 -0.010 0.000 1.046 736 A HN 0.578 nan 8.150 nan 0.000 0.496 737 K N 2.895 123.369 120.400 0.123 0.000 2.402 737 K HA 0.036 4.355 4.320 -0.001 0.000 0.285 737 K C -0.251 176.225 176.600 -0.206 0.000 1.054 737 K CA -0.258 55.960 56.287 -0.114 0.000 1.001 737 K CB 0.230 32.662 32.500 -0.114 0.000 0.946 737 K HN 0.641 nan 8.250 nan 0.000 0.473 738 R N 4.542 124.877 120.500 -0.275 0.000 2.491 738 R HA 0.074 4.413 4.340 -0.001 0.000 0.283 738 R C -1.815 174.219 176.300 -0.443 0.000 1.072 738 R CA -1.871 53.928 56.100 -0.501 0.000 1.048 738 R CB 0.489 30.384 30.300 -0.676 0.000 0.983 738 R HN 0.567 nan 8.270 nan 0.000 0.450 739 P HA 0.057 nan 4.420 nan 0.000 0.249 739 P C -0.674 176.573 177.300 -0.088 0.000 1.593 739 P CA 0.129 63.067 63.100 -0.271 0.000 0.896 739 P CB 0.187 31.754 31.700 -0.221 0.000 1.581 740 W N 0.860 122.127 121.300 -0.056 0.000 2.627 740 W HA 0.626 5.286 4.660 -0.000 0.000 0.339 740 W C 0.447 176.941 176.519 -0.042 0.000 1.058 740 W CA -0.775 56.524 57.345 -0.077 0.000 1.223 740 W CB 1.533 30.904 29.460 -0.147 0.000 1.389 740 W HN -0.068 nan 8.180 nan 0.000 0.541 741 R N 2.252 122.854 120.500 0.170 0.000 2.868 741 R HA 0.105 4.445 4.340 -0.001 0.000 0.262 741 R C -0.372 175.925 176.300 -0.004 0.000 1.163 741 R CA -0.762 55.388 56.100 0.083 0.000 1.105 741 R CB 0.839 31.177 30.300 0.062 0.000 1.270 741 R HN 0.546 nan 8.270 nan 0.000 0.437 742 K N 3.304 123.655 120.400 -0.080 0.000 3.730 742 K HA -0.255 4.064 4.320 -0.001 0.000 0.276 742 K C -1.392 175.171 176.600 -0.063 0.000 0.904 742 K CA 1.909 58.140 56.287 -0.094 0.000 0.741 742 K CB -0.601 31.905 32.500 0.009 0.000 1.542 742 K HN 0.757 nan 8.250 nan 0.000 0.446 743 Q N -0.125 119.567 119.800 -0.180 0.000 2.633 743 Q HA 0.331 4.670 4.340 -0.001 0.000 0.289 743 Q C -1.477 174.420 176.000 -0.171 0.000 0.940 743 Q CA -1.308 54.438 55.803 -0.094 0.000 0.785 743 Q CB 0.981 29.673 28.738 -0.077 0.000 1.467 743 Q HN 0.276 nan 8.270 nan 0.000 0.401 744 R N 0.982 121.437 120.500 -0.074 0.000 2.349 744 R HA 0.632 4.972 4.340 -0.001 0.000 0.299 744 R C -0.501 175.655 176.300 -0.241 0.000 1.027 744 R CA -0.236 55.796 56.100 -0.113 0.000 0.958 744 R CB 1.394 31.684 30.300 -0.016 0.000 1.047 744 R HN 0.574 nan 8.270 nan 0.000 0.468 745 V N -0.169 119.519 119.914 -0.376 0.000 3.102 745 V HA 0.497 4.617 4.120 -0.001 0.000 0.312 745 V C -1.112 174.774 176.094 -0.348 0.000 1.135 745 V CA -1.073 60.946 62.300 -0.469 0.000 1.022 745 V CB 2.344 33.567 31.823 -1.001 0.000 1.056 745 V HN 0.649 nan 8.190 nan 0.000 0.436 746 D N 3.343 123.595 120.400 -0.246 0.000 2.500 746 D HA 0.330 4.969 4.640 -0.001 0.000 0.219 746 D C -0.085 176.153 176.300 -0.103 0.000 1.137 746 D CA 0.234 54.152 54.000 -0.137 0.000 0.946 746 D CB 1.089 41.855 40.800 -0.057 0.000 1.022 746 D HN 0.722 nan 8.370 nan 0.000 0.518 747 M N 2.661 122.168 119.600 -0.156 0.000 2.217 747 M HA 0.053 4.532 4.480 -0.001 0.000 0.352 747 M C -0.787 175.571 176.300 0.097 0.000 1.376 747 M CA -0.457 54.812 55.300 -0.052 0.000 1.107 747 M CB 0.492 33.015 32.600 -0.128 0.000 1.723 747 M HN 0.261 nan 8.290 nan 0.000 0.461 748 Y N 6.827 127.169 120.300 0.070 0.000 2.452 748 Y HA 0.418 4.968 4.550 -0.001 0.000 0.348 748 Y C -1.443 174.493 175.900 0.059 0.000 0.985 748 Y CA -0.412 57.722 58.100 0.056 0.000 1.214 748 Y CB 0.283 38.784 38.460 0.068 0.000 1.136 748 Y HN 0.583 nan 8.280 nan 0.000 0.523 749 L N 10.331 131.280 121.223 -0.456 0.000 2.454 749 L HA 0.376 4.715 4.340 -0.001 0.000 0.258 749 L C -2.245 174.327 176.870 -0.496 0.000 1.025 749 L CA -1.996 52.601 54.840 -0.406 0.000 0.901 749 L CB 1.230 43.177 42.059 -0.185 0.000 1.210 749 L HN 0.515 nan 8.230 nan 0.000 0.457 750 P HA 0.018 nan 4.420 nan 0.000 0.280 750 P C 0.797 178.009 177.300 -0.147 0.000 1.278 750 P CA -0.259 62.617 63.100 -0.374 0.000 0.787 750 P CB 1.019 32.557 31.700 -0.269 0.000 1.163 751 A N 0.303 123.089 122.820 -0.057 0.000 2.139 751 A HA -0.178 4.142 4.320 -0.001 0.000 0.221 751 A C 1.372 178.961 177.584 0.008 0.000 1.159 751 A CA 2.051 54.083 52.037 -0.009 0.000 0.662 751 A CB -1.179 17.830 19.000 0.016 0.000 0.796 751 A HN 0.705 nan 8.150 nan 0.000 0.463 752 D N -2.558 117.850 120.400 0.013 0.000 2.500 752 D HA 0.267 4.907 4.640 -0.001 0.000 0.217 752 D C 0.562 176.960 176.300 0.163 0.000 1.159 752 D CA 0.779 54.824 54.000 0.075 0.000 0.828 752 D CB -0.334 40.500 40.800 0.057 0.000 1.039 752 D HN 0.363 nan 8.370 nan 0.000 0.512 753 K N 0.772 121.213 120.400 0.068 0.000 2.208 753 K HA 0.755 5.074 4.320 -0.001 0.000 0.247 753 K C -0.825 175.724 176.600 -0.085 0.000 0.953 753 K CA -0.829 55.511 56.287 0.088 0.000 0.837 753 K CB 2.073 34.582 32.500 0.016 0.000 1.131 753 K HN 0.252 nan 8.250 nan 0.000 0.431 754 I N 0.379 120.833 120.570 -0.192 0.000 2.722 754 I HA 0.608 4.778 4.170 -0.001 0.000 0.295 754 I C 0.402 176.357 176.117 -0.269 0.000 1.161 754 I CA -0.953 60.158 61.300 -0.315 0.000 1.032 754 I CB 2.171 39.853 38.000 -0.530 0.000 1.244 754 I HN 0.795 nan 8.210 nan 0.000 0.421 755 G N 7.635 116.299 108.800 -0.227 0.000 2.346 755 G HA2 0.409 4.369 3.960 -0.001 0.000 0.275 755 G HA3 0.409 4.369 3.960 -0.001 0.000 0.275 755 G C -0.880 173.830 174.900 -0.316 0.000 1.190 755 G CA -0.127 44.867 45.100 -0.175 0.000 1.015 755 G HN 0.496 nan 8.290 nan 0.000 0.441 756 L N 3.136 124.117 121.223 -0.403 0.000 2.376 756 L HA 0.434 4.773 4.340 -0.001 0.000 0.275 756 L C -0.750 175.848 176.870 -0.453 0.000 0.987 756 L CA -0.865 53.731 54.840 -0.407 0.000 0.828 756 L CB 2.012 43.862 42.059 -0.348 0.000 1.249 756 L HN 0.593 nan 8.230 nan 0.000 0.409 757 H N 2.870 121.945 119.070 0.007 0.000 2.717 757 H HA 0.561 5.117 4.556 -0.001 0.000 0.366 757 H C -0.944 174.618 175.328 0.389 0.000 1.132 757 H CA -0.495 55.683 56.048 0.217 0.000 1.180 757 H CB 2.337 32.203 29.762 0.173 0.000 1.678 757 H HN 0.376 nan 8.280 nan 0.000 0.537 758 L N 2.351 123.917 121.223 0.571 0.000 2.307 758 L HA 0.427 4.767 4.340 -0.001 0.000 0.282 758 L C 0.279 177.449 176.870 0.500 0.000 1.051 758 L CA -0.559 54.573 54.840 0.487 0.000 0.804 758 L CB 1.075 43.346 42.059 0.353 0.000 1.197 758 L HN 0.450 nan 8.230 nan 0.000 0.431 759 R N 2.515 123.173 120.500 0.264 0.000 2.221 759 R HA 0.349 4.688 4.340 -0.001 0.000 0.327 759 R C 0.120 176.506 176.300 0.142 0.000 1.033 759 R CA -0.494 55.498 56.100 -0.181 0.000 0.887 759 R CB 1.053 31.144 30.300 -0.348 0.000 1.057 759 R HN 0.785 nan 8.270 nan 0.000 0.455 760 G N 1.491 110.332 108.800 0.068 0.000 2.391 760 G HA2 0.268 4.227 3.960 -0.001 0.000 0.234 760 G HA3 0.268 4.227 3.960 -0.001 0.000 0.234 760 G C 0.846 175.810 174.900 0.105 0.000 1.284 760 G CA 0.352 45.574 45.100 0.204 0.000 0.873 760 G HN 1.002 nan 8.290 nan 0.000 0.549 761 G N -0.120 108.691 108.800 0.019 0.000 2.159 761 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.227 761 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.227 761 G C -0.042 174.545 174.900 -0.523 0.000 0.986 761 G CA 0.484 45.441 45.100 -0.238 0.000 0.651 761 G HN 0.868 nan 8.290 nan 0.000 0.523 762 Y N -0.651 119.679 120.300 0.050 0.000 2.462 762 Y HA 0.730 5.279 4.550 -0.001 0.000 0.346 762 Y C 0.372 176.294 175.900 0.036 0.000 0.976 762 Y CA -1.179 56.957 58.100 0.061 0.000 1.044 762 Y CB 1.676 40.175 38.460 0.064 0.000 1.230 762 Y HN 0.076 nan 8.280 nan 0.000 0.455 763 I N 5.094 125.806 120.570 0.237 0.000 2.382 763 I HA 0.416 4.586 4.170 -0.001 0.000 0.286 763 I C -0.768 175.460 176.117 0.184 0.000 1.002 763 I CA -0.624 60.768 61.300 0.153 0.000 1.135 763 I CB 0.898 39.016 38.000 0.197 0.000 1.288 763 I HN 0.436 nan 8.210 nan 0.000 0.448 764 I N 5.663 126.244 120.570 0.018 0.000 2.404 764 I HA 0.659 4.828 4.170 -0.001 0.000 0.293 764 I C -2.646 173.493 176.117 0.037 0.000 0.992 764 I CA -2.303 58.965 61.300 -0.053 0.000 1.149 764 I CB 1.611 39.317 38.000 -0.491 0.000 1.315 764 I HN 0.229 nan 8.210 nan 0.000 0.446 765 P HA 0.416 nan 4.420 nan 0.000 0.286 765 P C -0.810 176.619 177.300 0.215 0.000 1.269 765 P CA -0.134 63.040 63.100 0.123 0.000 0.787 765 P CB 1.439 33.237 31.700 0.162 0.000 0.920 766 I N -0.549 120.093 120.570 0.120 0.000 3.206 766 I HA 0.740 4.910 4.170 -0.001 0.000 0.313 766 I C -0.876 175.320 176.117 0.132 0.000 1.103 766 I CA -1.339 60.077 61.300 0.193 0.000 0.985 766 I CB 2.483 40.588 38.000 0.175 0.000 1.240 766 I HN 0.260 nan 8.210 nan 0.000 0.464 767 Q N 1.428 121.333 119.800 0.175 0.000 2.295 767 Q HA 0.298 4.638 4.340 -0.001 0.000 0.268 767 Q C -1.523 174.565 176.000 0.147 0.000 1.010 767 Q CA -0.587 55.290 55.803 0.122 0.000 0.856 767 Q CB 2.215 31.045 28.738 0.153 0.000 1.349 767 Q HN 0.757 nan 8.270 nan 0.000 0.412 768 E N 5.124 125.378 120.200 0.090 0.000 2.694 768 E HA -0.010 4.339 4.350 -0.001 0.000 0.250 768 E C -2.082 174.594 176.600 0.126 0.000 0.963 768 E CA -0.564 55.890 56.400 0.090 0.000 0.949 768 E CB 0.390 30.118 29.700 0.046 0.000 0.911 768 E HN 0.332 nan 8.360 nan 0.000 0.500 769 P HA 0.089 nan 4.420 nan 0.000 0.274 769 P C -0.563 176.801 177.300 0.106 0.000 1.246 769 P CA -0.036 63.168 63.100 0.173 0.000 0.795 769 P CB 1.067 32.859 31.700 0.155 0.000 1.006 770 D N -1.195 119.259 120.400 0.090 0.000 2.825 770 D HA 0.116 4.755 4.640 -0.001 0.000 0.327 770 D C 0.596 176.828 176.300 -0.115 0.000 1.277 770 D CA -0.353 53.656 54.000 0.014 0.000 0.950 770 D CB 1.598 42.433 40.800 0.058 0.000 1.438 770 D HN 0.102 nan 8.370 nan 0.000 0.526 771 V N -1.482 118.371 119.914 -0.102 0.000 3.649 771 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 771 V C 0.668 176.678 176.094 -0.139 0.000 1.281 771 V CA 1.086 63.279 62.300 -0.178 0.000 1.143 771 V CB -0.469 31.309 31.823 -0.075 0.000 0.892 771 V HN 0.549 nan 8.190 nan 0.000 0.441 772 T N -3.722 110.834 114.554 0.004 0.000 2.896 772 T HA 0.419 4.769 4.350 -0.001 0.000 0.297 772 T C 0.874 175.772 174.700 0.330 0.000 1.108 772 T CA 0.367 62.558 62.100 0.151 0.000 1.004 772 T CB 1.631 70.527 68.868 0.047 0.000 1.159 772 T HN 0.387 nan 8.240 nan 0.000 0.499 773 T N -1.079 113.723 114.554 0.412 0.000 2.904 773 T HA -0.064 4.286 4.350 -0.001 0.000 0.267 773 T C 1.888 176.736 174.700 0.246 0.000 1.059 773 T CA 1.698 64.049 62.100 0.418 0.000 1.137 773 T CB -1.333 67.830 68.868 0.491 0.000 0.879 773 T HN 0.702 nan 8.240 nan 0.000 0.467 774 T N 2.675 117.326 114.554 0.161 0.000 2.597 774 T HA -0.123 4.227 4.350 -0.001 0.000 0.267 774 T C 2.445 177.191 174.700 0.078 0.000 1.053 774 T CA 1.811 63.959 62.100 0.079 0.000 1.165 774 T CB -1.021 67.866 68.868 0.031 0.000 0.863 774 T HN 0.626 nan 8.240 nan 0.000 0.427 775 A N 1.748 124.618 122.820 0.083 0.000 1.898 775 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 775 A C 2.635 180.280 177.584 0.102 0.000 1.181 775 A CA 2.244 54.324 52.037 0.070 0.000 0.620 775 A CB -1.005 18.025 19.000 0.050 0.000 0.819 775 A HN 0.621 nan 8.150 nan 0.000 0.442 776 S N -0.231 115.566 115.700 0.163 0.000 2.399 776 S HA -0.180 4.290 4.470 -0.001 0.000 0.231 776 S C 1.940 176.650 174.600 0.184 0.000 1.022 776 S CA 1.305 59.626 58.200 0.201 0.000 0.983 776 S CB -0.464 62.936 63.200 0.333 0.000 0.803 776 S HN 0.577 nan 8.310 nan 0.000 0.480 777 R N 1.619 122.218 120.500 0.165 0.000 2.189 777 R HA 0.067 4.406 4.340 -0.001 0.000 0.223 777 R C 1.824 178.221 176.300 0.162 0.000 1.092 777 R CA 1.345 57.551 56.100 0.176 0.000 0.989 777 R CB -0.091 30.237 30.300 0.046 0.000 0.876 777 R HN 0.670 nan 8.270 nan 0.000 0.457 778 K N -0.436 120.023 120.400 0.097 0.000 2.374 778 K HA 0.142 4.461 4.320 -0.001 0.000 0.196 778 K C 0.012 176.624 176.600 0.020 0.000 1.023 778 K CA -0.201 56.120 56.287 0.056 0.000 1.103 778 K CB 0.279 32.804 32.500 0.042 0.000 0.848 778 K HN -0.029 nan 8.250 nan 0.000 0.528 779 N N 3.046 121.764 118.700 0.030 0.000 2.503 779 N HA 0.147 4.887 4.740 -0.001 0.000 0.267 779 N C -2.481 173.004 175.510 -0.041 0.000 1.214 779 N CA -1.783 51.271 53.050 0.007 0.000 0.959 779 N CB 0.178 38.688 38.487 0.038 0.000 1.142 779 N HN -0.006 nan 8.380 nan 0.000 0.455 780 P HA -0.014 nan 4.420 nan 0.000 0.265 780 P C -0.008 177.227 177.300 -0.110 0.000 1.187 780 P CA 0.292 63.334 63.100 -0.096 0.000 0.766 780 P CB 0.633 32.296 31.700 -0.063 0.000 0.820 781 L N 1.526 122.632 121.223 -0.194 0.000 2.569 781 L HA 0.806 5.146 4.340 -0.001 0.000 0.247 781 L C 1.284 178.144 176.870 -0.018 0.000 1.135 781 L CA 0.071 54.806 54.840 -0.175 0.000 0.812 781 L CB 0.700 42.478 42.059 -0.468 0.000 1.431 781 L HN 0.564 nan 8.230 nan 0.000 0.499 782 G N -0.414 108.430 108.800 0.072 0.000 2.576 782 G HA2 0.591 4.551 3.960 -0.001 0.000 0.290 782 G HA3 0.591 4.551 3.960 -0.001 0.000 0.290 782 G C -2.036 172.788 174.900 -0.128 0.000 1.442 782 G CA -0.641 44.462 45.100 0.004 0.000 0.792 782 G HN 0.343 nan 8.290 nan 0.000 0.491 783 L N 0.109 121.163 121.223 -0.282 0.000 2.381 783 L HA 0.642 4.982 4.340 -0.001 0.000 0.268 783 L C -0.623 176.087 176.870 -0.267 0.000 0.997 783 L CA -0.924 53.679 54.840 -0.395 0.000 0.818 783 L CB 2.416 44.055 42.059 -0.700 0.000 1.310 783 L HN 0.346 nan 8.230 nan 0.000 0.416 784 I N 2.645 123.090 120.570 -0.207 0.000 2.389 784 I HA 0.345 4.515 4.170 -0.001 0.000 0.288 784 I C -0.642 175.372 176.117 -0.171 0.000 0.999 784 I CA -0.782 60.409 61.300 -0.181 0.000 1.129 784 I CB 2.172 40.103 38.000 -0.116 0.000 1.288 784 I HN 0.169 nan 8.210 nan 0.000 0.444 785 V N 6.055 125.842 119.914 -0.211 0.000 2.294 785 V HA 0.425 4.544 4.120 -0.001 0.000 0.272 785 V C 0.519 176.488 176.094 -0.209 0.000 1.027 785 V CA -0.561 61.638 62.300 -0.168 0.000 0.823 785 V CB 1.230 32.945 31.823 -0.180 0.000 1.030 785 V HN 0.821 nan 8.190 nan 0.000 0.457 786 A N 6.822 129.556 122.820 -0.142 0.000 2.343 786 A HA 0.626 4.946 4.320 -0.001 0.000 0.305 786 A C -0.043 177.517 177.584 -0.040 0.000 1.308 786 A CA -0.305 51.604 52.037 -0.213 0.000 0.949 786 A CB -0.082 18.918 19.000 -0.001 0.000 1.148 786 A HN 0.820 nan 8.150 nan 0.000 0.545 787 L N 2.157 123.338 121.223 -0.071 0.000 2.461 787 L HA 0.420 4.759 4.340 -0.001 0.000 0.272 787 L C 0.990 177.960 176.870 0.167 0.000 1.197 787 L CA 0.126 55.005 54.840 0.065 0.000 0.836 787 L CB 0.963 43.065 42.059 0.072 0.000 1.105 787 L HN 0.734 nan 8.230 nan 0.000 0.477 788 G N 0.980 109.830 108.800 0.085 0.000 2.760 788 G HA2 0.407 4.367 3.960 -0.001 0.000 0.285 788 G HA3 0.407 4.367 3.960 -0.001 0.000 0.285 788 G C -0.036 174.878 174.900 0.023 0.000 1.496 788 G CA -0.172 44.958 45.100 0.050 0.000 1.026 788 G HN 0.847 nan 8.290 nan 0.000 0.536 789 E N 1.099 121.311 120.200 0.021 0.000 4.109 789 E HA -0.356 3.993 4.350 -0.001 0.000 0.206 789 E C 1.174 177.784 176.600 0.017 0.000 1.281 789 E CA 2.292 58.698 56.400 0.011 0.000 2.179 789 E CB -0.510 29.189 29.700 -0.002 0.000 1.884 789 E HN 0.513 nan 8.360 nan 0.000 0.280 790 N N 1.821 120.527 118.700 0.009 0.000 2.485 790 N HA -0.008 4.732 4.740 -0.001 0.000 0.199 790 N C -0.321 175.198 175.510 0.014 0.000 1.236 790 N CA 0.971 54.026 53.050 0.008 0.000 0.852 790 N CB -0.237 38.250 38.487 0.000 0.000 1.018 790 N HN 0.325 nan 8.380 nan 0.000 0.457 791 N N -0.794 117.924 118.700 0.029 0.000 2.754 791 N HA -0.143 4.597 4.740 -0.001 0.000 0.248 791 N C -1.048 174.485 175.510 0.039 0.000 1.093 791 N CA 1.063 54.141 53.050 0.047 0.000 0.699 791 N CB -1.445 37.069 38.487 0.045 0.000 1.016 791 N HN 0.175 nan 8.380 nan 0.000 0.552 792 T N -0.735 113.830 114.554 0.019 0.000 2.932 792 T HA 0.926 5.276 4.350 -0.001 0.000 0.289 792 T C -0.110 174.582 174.700 -0.014 0.000 1.039 792 T CA -0.078 62.023 62.100 0.002 0.000 1.024 792 T CB 2.345 71.200 68.868 -0.022 0.000 1.090 792 T HN 0.356 nan 8.240 nan 0.000 0.496 793 A N 1.782 124.594 122.820 -0.015 0.000 2.589 793 A HA 0.730 5.050 4.320 -0.001 0.000 0.296 793 A C -1.432 176.146 177.584 -0.010 0.000 1.062 793 A CA -0.924 51.086 52.037 -0.046 0.000 0.686 793 A CB 1.472 20.475 19.000 0.004 0.000 1.282 793 A HN 0.528 nan 8.150 nan 0.000 0.404 794 K N 0.230 120.600 120.400 -0.049 0.000 2.385 794 K HA 0.836 5.155 4.320 -0.001 0.000 0.248 794 K C -0.247 176.458 176.600 0.176 0.000 0.955 794 K CA -0.283 56.036 56.287 0.053 0.000 0.816 794 K CB 2.623 35.123 32.500 -0.000 0.000 1.250 794 K HN 1.428 nan 8.250 nan 0.000 0.434 795 G N 0.824 109.782 108.800 0.264 0.000 2.576 795 G HA2 0.518 4.477 3.960 -0.001 0.000 0.290 795 G HA3 0.518 4.477 3.960 -0.001 0.000 0.290 795 G C -1.936 173.078 174.900 0.189 0.000 1.442 795 G CA -0.712 44.605 45.100 0.361 0.000 0.792 795 G HN 0.613 nan 8.290 nan 0.000 0.491 796 D N -2.058 118.480 120.400 0.230 0.000 2.610 796 D HA 0.779 5.419 4.640 -0.001 0.000 0.271 796 D C -1.442 175.087 176.300 0.382 0.000 1.174 796 D CA -0.844 53.202 54.000 0.076 0.000 0.949 796 D CB 2.403 43.324 40.800 0.202 0.000 1.430 796 D HN 0.615 nan 8.370 nan 0.000 0.467 797 F N 0.376 120.447 119.950 0.200 0.000 2.639 797 F HA 0.573 5.100 4.527 -0.001 0.000 0.326 797 F C -2.544 173.537 175.800 0.468 0.000 1.150 797 F CA -1.546 56.727 58.000 0.454 0.000 1.057 797 F CB 1.530 40.902 39.000 0.619 0.000 1.300 797 F HN 0.461 nan 8.300 nan 0.000 0.486 798 F N 7.255 127.092 119.950 -0.189 0.000 2.520 798 F HA 0.678 5.204 4.527 -0.000 0.000 0.322 798 F C -2.085 173.560 175.800 -0.260 0.000 1.103 798 F CA -0.718 57.059 58.000 -0.372 0.000 0.926 798 F CB 1.482 40.114 39.000 -0.613 0.000 1.154 798 F HN 0.603 nan 8.300 nan 0.000 0.453 799 W N 8.527 129.129 121.300 -1.163 0.000 3.097 799 W HA 0.341 5.001 4.660 -0.001 0.000 0.335 799 W C -1.873 174.178 176.519 -0.780 0.000 1.114 799 W CA -0.534 56.376 57.345 -0.724 0.000 1.231 799 W CB 2.019 31.212 29.460 -0.445 0.000 1.388 799 W HN 0.793 nan 8.180 nan 0.000 0.485 800 D N 1.585 121.321 120.400 -1.106 0.000 2.895 800 D HA 0.097 4.736 4.640 -0.001 0.000 0.320 800 D C 0.515 176.056 176.300 -1.265 0.000 1.249 800 D CA -0.241 53.070 54.000 -1.149 0.000 0.997 800 D CB 0.157 40.578 40.800 -0.631 0.000 1.430 800 D HN 0.357 nan 8.370 nan 0.000 0.558 801 D N -1.085 118.712 120.400 -1.005 0.000 2.363 801 D HA 0.097 4.737 4.640 -0.001 0.000 0.226 801 D C 1.294 177.399 176.300 -0.324 0.000 1.020 801 D CA 0.657 54.367 54.000 -0.482 0.000 0.892 801 D CB -0.497 40.215 40.800 -0.147 0.000 0.900 801 D HN 0.880 nan 8.370 nan 0.000 0.531 802 G N 1.846 110.467 108.800 -0.299 0.000 2.249 802 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.273 802 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.273 802 G C 0.486 175.399 174.900 0.021 0.000 1.036 802 G CA 0.939 45.967 45.100 -0.121 0.000 0.824 802 G HN 0.632 nan 8.290 nan 0.000 0.504 803 E N -3.519 116.694 120.200 0.021 0.000 2.370 803 E HA 0.036 4.386 4.350 -0.001 0.000 0.195 803 E C 0.361 176.991 176.600 0.050 0.000 1.001 803 E CA 0.200 56.642 56.400 0.071 0.000 1.531 803 E CB -0.119 29.649 29.700 0.114 0.000 2.982 803 E HN 0.261 nan 8.360 nan 0.000 1.057 804 T N 2.300 116.870 114.554 0.027 0.000 2.834 804 T HA 0.098 4.448 4.350 -0.001 0.000 0.298 804 T C 0.620 175.338 174.700 0.030 0.000 0.966 804 T CA -0.188 61.933 62.100 0.035 0.000 1.141 804 T CB 1.691 70.578 68.868 0.032 0.000 0.905 804 T HN 0.065 nan 8.240 nan 0.000 0.535 805 K N 1.924 122.346 120.400 0.038 0.000 2.147 805 K HA -0.124 4.195 4.320 -0.001 0.000 0.205 805 K C 0.953 177.567 176.600 0.024 0.000 1.049 805 K CA 1.403 57.706 56.287 0.026 0.000 0.936 805 K CB 0.086 32.614 32.500 0.045 0.000 0.722 805 K HN 0.721 nan 8.250 nan 0.000 0.446 806 D N -0.727 119.701 120.400 0.047 0.000 2.559 806 D HA -0.031 4.609 4.640 -0.001 0.000 0.234 806 D C 1.113 177.468 176.300 0.091 0.000 1.226 806 D CA 0.137 54.176 54.000 0.065 0.000 0.830 806 D CB 0.126 40.967 40.800 0.068 0.000 1.028 806 D HN 0.089 nan 8.370 nan 0.000 0.492 807 T N -1.018 113.592 114.554 0.094 0.000 2.684 807 T HA -0.205 4.145 4.350 -0.001 0.000 0.267 807 T C 1.959 176.836 174.700 0.294 0.000 1.036 807 T CA 0.739 62.933 62.100 0.156 0.000 1.148 807 T CB -0.417 68.527 68.868 0.127 0.000 0.863 807 T HN 0.080 nan 8.240 nan 0.000 0.436 808 I N 1.851 122.577 120.570 0.259 0.000 2.163 808 I HA -0.160 4.010 4.170 -0.001 0.000 0.243 808 I C 3.006 179.296 176.117 0.288 0.000 1.085 808 I CA 1.604 63.083 61.300 0.299 0.000 1.347 808 I CB -0.641 37.432 38.000 0.121 0.000 1.044 808 I HN 0.343 nan 8.210 nan 0.000 0.408 809 Q N 0.305 120.214 119.800 0.181 0.000 2.226 809 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 809 Q C 0.922 176.995 176.000 0.122 0.000 0.975 809 Q CA 1.353 57.235 55.803 0.131 0.000 0.866 809 Q CB 0.046 28.846 28.738 0.102 0.000 0.915 809 Q HN 0.495 nan 8.270 nan 0.000 0.440 810 N N -0.833 117.947 118.700 0.133 0.000 2.230 810 N HA 0.123 4.863 4.740 -0.001 0.000 0.202 810 N C 0.106 175.669 175.510 0.090 0.000 1.119 810 N CA 0.810 53.920 53.050 0.100 0.000 0.851 810 N CB 1.056 39.595 38.487 0.086 0.000 0.990 810 N HN 0.325 nan 8.380 nan 0.000 0.497 811 G N 1.415 110.277 108.800 0.104 0.000 2.273 811 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.280 811 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.280 811 G C -0.154 174.677 174.900 -0.115 0.000 1.047 811 G CA -0.163 44.883 45.100 -0.089 0.000 0.869 811 G HN 0.285 nan 8.290 nan 0.000 0.502 812 N N 0.149 118.851 118.700 0.003 0.000 3.170 812 N HA 0.461 5.200 4.740 -0.001 0.000 0.305 812 N C -0.276 175.272 175.510 0.064 0.000 1.499 812 N CA 0.179 53.252 53.050 0.039 0.000 1.110 812 N CB 0.247 38.787 38.487 0.088 0.000 1.390 812 N HN 0.747 nan 8.380 nan 0.000 0.508 813 Y N -1.984 118.364 120.300 0.081 0.000 2.744 813 Y HA 0.627 5.177 4.550 -0.001 0.000 0.330 813 Y C -1.066 174.860 175.900 0.043 0.000 1.263 813 Y CA -1.314 56.714 58.100 -0.119 0.000 1.065 813 Y CB 0.964 39.222 38.460 -0.337 0.000 1.306 813 Y HN -0.169 nan 8.280 nan 0.000 0.459 814 I N 2.266 122.947 120.570 0.185 0.000 2.441 814 I HA 0.500 4.670 4.170 -0.001 0.000 0.295 814 I C -1.419 174.798 176.117 0.166 0.000 0.994 814 I CA -0.912 60.510 61.300 0.204 0.000 1.144 814 I CB 1.930 40.091 38.000 0.268 0.000 1.314 814 I HN 0.535 nan 8.210 nan 0.000 0.445 815 L N 7.184 128.526 121.223 0.198 0.000 2.409 815 L HA 0.535 4.874 4.340 -0.001 0.000 0.272 815 L C -1.669 175.237 176.870 0.061 0.000 0.980 815 L CA -0.157 54.789 54.840 0.177 0.000 0.826 815 L CB 1.406 43.644 42.059 0.298 0.000 1.268 815 L HN 0.353 nan 8.230 nan 0.000 0.407 816 Y N 2.009 122.408 120.300 0.165 0.000 2.524 816 Y HA 0.706 5.256 4.550 -0.001 0.000 0.344 816 Y C 0.031 175.833 175.900 -0.164 0.000 1.012 816 Y CA -0.507 57.655 58.100 0.103 0.000 1.068 816 Y CB 2.684 41.328 38.460 0.307 0.000 1.249 816 Y HN 0.455 nan 8.280 nan 0.000 0.468 817 T N 3.929 118.489 114.554 0.010 0.000 2.848 817 T HA 0.549 4.898 4.350 -0.001 0.000 0.285 817 T C -1.444 173.227 174.700 -0.050 0.000 0.995 817 T CA -0.561 61.484 62.100 -0.092 0.000 0.970 817 T CB 0.246 69.155 68.868 0.069 0.000 0.976 817 T HN 0.208 nan 8.240 nan 0.000 0.441 818 F N 1.330 121.411 119.950 0.217 0.000 2.492 818 F HA 0.793 5.320 4.527 -0.001 0.000 0.327 818 F C 0.658 176.518 175.800 0.101 0.000 1.079 818 F CA -1.298 56.781 58.000 0.132 0.000 0.967 818 F CB 1.988 41.028 39.000 0.066 0.000 1.169 818 F HN 0.392 nan 8.300 nan 0.000 0.472 819 S N 1.303 117.164 115.700 0.270 0.000 2.603 819 S HA 0.735 5.205 4.470 -0.001 0.000 0.274 819 S C -1.810 172.862 174.600 0.120 0.000 1.168 819 S CA -0.486 57.807 58.200 0.155 0.000 0.963 819 S CB 1.067 64.337 63.200 0.117 0.000 1.078 819 S HN 0.393 nan 8.310 nan 0.000 0.477 820 V N 4.159 124.130 119.914 0.094 0.000 2.540 820 V HA 0.938 5.058 4.120 -0.001 0.000 0.302 820 V C -0.266 175.850 176.094 0.036 0.000 1.035 820 V CA -0.390 61.962 62.300 0.086 0.000 0.873 820 V CB 1.528 33.448 31.823 0.162 0.000 0.992 820 V HN 1.026 nan 8.190 nan 0.000 0.428 821 S N 2.906 118.596 115.700 -0.016 0.000 2.578 821 S HA 0.494 4.964 4.470 -0.001 0.000 0.272 821 S C -0.249 174.284 174.600 -0.113 0.000 1.145 821 S CA -0.575 57.601 58.200 -0.039 0.000 0.835 821 S CB 1.694 64.878 63.200 -0.026 0.000 1.104 821 S HN 0.738 nan 8.310 nan 0.000 0.458 822 N N 1.418 120.051 118.700 -0.111 0.000 2.725 822 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 822 N C -0.298 175.029 175.510 -0.306 0.000 1.103 822 N CA 1.216 54.169 53.050 -0.162 0.000 0.707 822 N CB -1.911 36.493 38.487 -0.138 0.000 1.043 822 N HN 0.977 nan 8.380 nan 0.000 0.553 823 N N -1.553 116.919 118.700 -0.380 0.000 2.721 823 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 823 N C -0.633 173.971 175.510 -1.510 0.000 1.072 823 N CA 1.371 53.870 53.050 -0.919 0.000 0.710 823 N CB -0.651 37.334 38.487 -0.837 0.000 0.993 823 N HN 0.516 nan 8.380 nan 0.000 0.547 824 T N -0.249 113.772 114.554 -0.888 0.000 2.991 824 T HA 0.527 4.877 4.350 -0.001 0.000 0.303 824 T C -1.154 173.394 174.700 -0.252 0.000 1.015 824 T CA -0.874 60.840 62.100 -0.644 0.000 1.007 824 T CB 1.246 69.894 68.868 -0.367 0.000 1.034 824 T HN 0.241 nan 8.240 nan 0.000 0.446 825 L N 4.530 125.719 121.223 -0.057 0.000 2.289 825 L HA 0.663 5.003 4.340 -0.001 0.000 0.285 825 L C -0.817 176.107 176.870 0.090 0.000 1.049 825 L CA 0.055 54.962 54.840 0.112 0.000 0.804 825 L CB 1.074 43.266 42.059 0.221 0.000 1.195 825 L HN 0.625 nan 8.230 nan 0.000 0.428 826 D N 6.557 127.029 120.400 0.120 0.000 2.344 826 D HA 0.366 5.006 4.640 -0.001 0.000 0.239 826 D C -0.588 175.867 176.300 0.258 0.000 1.064 826 D CA 0.054 54.148 54.000 0.157 0.000 0.829 826 D CB 2.105 42.982 40.800 0.128 0.000 1.129 826 D HN 0.452 nan 8.370 nan 0.000 0.506 827 I N 2.364 123.119 120.570 0.308 0.000 2.359 827 I HA 0.147 4.317 4.170 -0.001 0.000 0.284 827 I C -0.423 176.017 176.117 0.537 0.000 1.018 827 I CA -0.687 60.903 61.300 0.483 0.000 1.173 827 I CB 1.458 39.685 38.000 0.379 0.000 1.326 827 I HN -0.019 nan 8.210 nan 0.000 0.462 828 V N 5.197 125.429 119.914 0.530 0.000 2.378 828 V HA 0.235 4.354 4.120 -0.001 0.000 0.288 828 V C -0.094 176.113 176.094 0.190 0.000 1.016 828 V CA -0.774 61.715 62.300 0.314 0.000 0.840 828 V CB 1.590 33.525 31.823 0.187 0.000 0.994 828 V HN 0.823 nan 8.190 nan 0.000 0.431 829 C N 5.353 124.623 119.300 -0.049 0.000 2.349 829 C HA 0.402 4.861 4.460 -0.001 0.000 0.348 829 C C 1.897 176.780 174.990 -0.179 0.000 1.223 829 C CA 0.449 59.167 59.018 -0.499 0.000 1.746 829 C CB -0.287 27.155 27.740 -0.496 0.000 2.360 829 C HN 1.080 nan 8.230 nan 0.000 0.533 830 T N 1.147 115.641 114.554 -0.099 0.000 3.065 830 T HA 0.158 4.508 4.350 -0.001 0.000 0.252 830 T C 0.218 174.992 174.700 0.124 0.000 1.099 830 T CA 0.558 62.683 62.100 0.042 0.000 1.063 830 T CB -0.276 68.653 68.868 0.103 0.000 0.948 830 T HN 0.891 nan 8.240 nan 0.000 0.506 831 H N -0.321 118.723 119.070 -0.043 0.000 3.140 831 H HA 0.510 5.066 4.556 -0.001 0.000 0.336 831 H C -1.923 173.354 175.328 -0.085 0.000 1.142 831 H CA -0.422 55.599 56.048 -0.044 0.000 1.308 831 H CB 1.719 31.491 29.762 0.016 0.000 1.970 831 H HN 0.073 nan 8.280 nan 0.000 0.521 832 S N 3.785 119.227 115.700 -0.430 0.000 2.609 832 S HA 0.432 4.901 4.470 -0.001 0.000 0.250 832 S C -1.255 173.188 174.600 -0.261 0.000 1.112 832 S CA -0.223 57.850 58.200 -0.212 0.000 1.102 832 S CB 0.667 63.800 63.200 -0.113 0.000 1.124 832 S HN 0.530 nan 8.310 nan 0.000 0.460 833 S N 4.367 119.975 115.700 -0.154 0.000 2.612 833 S HA 0.332 4.802 4.470 -0.001 0.000 0.203 833 S C -1.680 172.974 174.600 0.089 0.000 0.965 833 S CA -0.250 57.898 58.200 -0.085 0.000 1.157 833 S CB 0.133 63.243 63.200 -0.150 0.000 1.526 833 S HN 0.759 nan 8.310 nan 0.000 0.423 834 Y N 2.050 122.334 120.300 -0.028 0.000 2.359 834 Y HA 0.413 4.963 4.550 -0.000 0.000 0.336 834 Y C 0.750 176.672 175.900 0.037 0.000 1.098 834 Y CA -0.686 57.423 58.100 0.014 0.000 1.272 834 Y CB 0.622 39.103 38.460 0.034 0.000 1.112 834 Y HN 0.140 nan 8.280 nan 0.000 0.481 835 Q N 2.801 122.450 119.800 -0.252 0.000 2.030 835 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 835 Q C 1.971 177.744 176.000 -0.378 0.000 0.986 835 Q CA 2.322 57.980 55.803 -0.242 0.000 0.843 835 Q CB -0.272 28.388 28.738 -0.131 0.000 0.904 835 Q HN 0.964 nan 8.270 nan 0.000 0.420 836 E N 0.371 120.217 120.200 -0.590 0.000 2.267 836 E HA -0.078 4.271 4.350 -0.001 0.000 0.197 836 E C 1.965 178.323 176.600 -0.404 0.000 0.998 836 E CA 1.262 57.397 56.400 -0.441 0.000 0.830 836 E CB -1.016 28.507 29.700 -0.295 0.000 0.751 836 E HN 0.576 nan 8.360 nan 0.000 0.491 837 G N -0.069 108.319 108.800 -0.687 0.000 2.484 837 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.218 837 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.218 837 G C 1.881 176.768 174.900 -0.021 0.000 1.130 837 G CA 1.392 46.468 45.100 -0.040 0.000 0.784 837 G HN 0.492 nan 8.290 nan 0.000 0.543 838 T N 1.340 115.847 114.554 -0.079 0.000 2.962 838 T HA -0.122 4.228 4.350 -0.001 0.000 0.270 838 T C 2.725 177.407 174.700 -0.030 0.000 1.088 838 T CA 1.724 63.813 62.100 -0.019 0.000 1.127 838 T CB -0.400 68.454 68.868 -0.022 0.000 0.883 838 T HN 0.548 nan 8.240 nan 0.000 0.493 839 T N 0.410 114.931 114.554 -0.055 0.000 2.962 839 T HA 0.142 4.492 4.350 -0.001 0.000 0.270 839 T C 0.855 175.515 174.700 -0.066 0.000 1.088 839 T CA 0.344 62.415 62.100 -0.049 0.000 1.127 839 T CB -0.507 68.334 68.868 -0.045 0.000 0.883 839 T HN 0.241 nan 8.240 nan 0.000 0.493 840 L N 1.355 122.519 121.223 -0.098 0.000 2.439 840 L HA 0.656 4.996 4.340 -0.001 0.000 0.261 840 L C 0.306 177.036 176.870 -0.234 0.000 1.153 840 L CA -0.796 53.935 54.840 -0.181 0.000 0.808 840 L CB 0.866 42.756 42.059 -0.282 0.000 1.126 840 L HN 0.322 nan 8.230 nan 0.000 0.460 841 A N 1.105 123.745 122.820 -0.301 0.000 2.594 841 A HA 0.674 4.993 4.320 -0.001 0.000 0.295 841 A C -1.259 176.071 177.584 -0.424 0.000 1.071 841 A CA -0.606 51.222 52.037 -0.347 0.000 0.685 841 A CB 0.829 19.717 19.000 -0.187 0.000 1.285 841 A HN 0.375 nan 8.150 nan 0.000 0.405 842 F N 0.969 120.768 119.950 -0.251 0.000 2.506 842 F HA 0.337 4.863 4.527 -0.001 0.000 0.371 842 F C 1.448 177.098 175.800 -0.249 0.000 1.078 842 F CA 0.659 58.487 58.000 -0.287 0.000 1.195 842 F CB 0.852 39.636 39.000 -0.360 0.000 1.099 842 F HN 0.668 nan 8.300 nan 0.000 0.548 843 Q N 0.842 120.623 119.800 -0.032 0.000 2.118 843 Q HA 0.165 4.505 4.340 -0.001 0.000 0.219 843 Q C -0.068 175.900 176.000 -0.054 0.000 0.794 843 Q CA -0.076 55.692 55.803 -0.057 0.000 1.035 843 Q CB 1.358 30.064 28.738 -0.054 0.000 1.177 843 Q HN 0.664 nan 8.270 nan 0.000 0.478 844 T N -0.375 114.136 114.554 -0.071 0.000 3.435 844 T HA 0.391 4.741 4.350 -0.001 0.000 0.344 844 T C -1.897 172.716 174.700 -0.146 0.000 1.211 844 T CA -0.389 61.658 62.100 -0.089 0.000 1.104 844 T CB 1.401 70.233 68.868 -0.059 0.000 1.196 844 T HN -0.113 nan 8.240 nan 0.000 0.471 845 V N 6.012 125.818 119.914 -0.181 0.000 2.443 845 V HA 0.582 4.701 4.120 -0.001 0.000 0.293 845 V C -0.130 175.815 176.094 -0.248 0.000 1.021 845 V CA -0.883 61.268 62.300 -0.248 0.000 0.848 845 V CB 1.743 33.394 31.823 -0.287 0.000 0.998 845 V HN 0.840 nan 8.190 nan 0.000 0.424 846 K N 5.505 125.754 120.400 -0.251 0.000 2.235 846 K HA 0.702 5.021 4.320 -0.001 0.000 0.266 846 K C -1.385 175.023 176.600 -0.319 0.000 0.980 846 K CA -0.600 55.533 56.287 -0.256 0.000 0.849 846 K CB 1.423 33.795 32.500 -0.214 0.000 1.098 846 K HN 0.637 nan 8.250 nan 0.000 0.445 847 I N 6.203 126.549 120.570 -0.373 0.000 2.382 847 I HA 0.259 4.428 4.170 -0.001 0.000 0.286 847 I C -0.546 175.350 176.117 -0.367 0.000 1.002 847 I CA -0.751 60.290 61.300 -0.433 0.000 1.135 847 I CB 1.409 38.994 38.000 -0.691 0.000 1.288 847 I HN 0.429 nan 8.210 nan 0.000 0.448 848 L N 5.513 126.489 121.223 -0.411 0.000 2.343 848 L HA 0.655 4.994 4.340 -0.001 0.000 0.275 848 L C 0.904 177.501 176.870 -0.456 0.000 1.056 848 L CA -0.743 53.792 54.840 -0.509 0.000 0.804 848 L CB 1.316 42.868 42.059 -0.845 0.000 1.203 848 L HN 0.860 nan 8.230 nan 0.000 0.440 849 G N 2.849 111.538 108.800 -0.186 0.000 2.385 849 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.294 849 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.294 849 G C -0.540 174.410 174.900 0.084 0.000 1.070 849 G CA -0.473 44.704 45.100 0.129 0.000 1.172 849 G HN 0.402 nan 8.290 nan 0.000 0.516 850 L N -0.027 121.237 121.223 0.068 0.000 2.331 850 L HA 0.644 4.984 4.340 -0.001 0.000 0.278 850 L C 2.001 178.952 176.870 0.135 0.000 1.106 850 L CA 0.446 55.356 54.840 0.116 0.000 0.824 850 L CB 0.928 43.087 42.059 0.166 0.000 1.142 850 L HN 0.572 nan 8.230 nan 0.000 0.443 851 T N 0.375 115.003 114.554 0.124 0.000 2.942 851 T HA 0.122 4.471 4.350 -0.001 0.000 0.265 851 T C 0.591 175.346 174.700 0.091 0.000 1.062 851 T CA 1.471 63.629 62.100 0.096 0.000 1.139 851 T CB -0.348 68.566 68.868 0.076 0.000 0.883 851 T HN 0.738 nan 8.240 nan 0.000 0.468 852 D N 0.502 120.957 120.400 0.091 0.000 2.732 852 D HA 0.605 5.245 4.640 -0.001 0.000 0.229 852 D C 0.108 176.392 176.300 -0.027 0.000 1.152 852 D CA -0.043 53.984 54.000 0.045 0.000 0.854 852 D CB 1.163 41.975 40.800 0.020 0.000 1.590 852 D HN 0.500 nan 8.370 nan 0.000 0.468 853 S N -0.645 114.981 115.700 -0.123 0.000 2.593 853 S HA 0.568 5.038 4.470 -0.001 0.000 0.269 853 S C 0.029 174.328 174.600 -0.502 0.000 1.334 853 S CA -0.439 57.434 58.200 -0.545 0.000 1.015 853 S CB 1.112 64.120 63.200 -0.321 0.000 0.912 853 S HN 0.905 nan 8.310 nan 0.000 0.541 854 V N 2.112 121.563 119.914 -0.770 0.000 2.495 854 V HA 0.411 4.530 4.120 -0.001 0.000 0.298 854 V C 0.624 176.644 176.094 -0.123 0.000 1.031 854 V CA -0.552 61.545 62.300 -0.338 0.000 0.871 854 V CB 1.531 33.174 31.823 -0.300 0.000 0.988 854 V HN 1.149 nan 8.190 nan 0.000 0.432 855 T N 2.730 117.259 114.554 -0.041 0.000 3.071 855 T HA 0.142 4.492 4.350 -0.001 0.000 0.239 855 T C 0.301 175.091 174.700 0.149 0.000 0.997 855 T CA 0.339 62.484 62.100 0.074 0.000 1.134 855 T CB 0.373 69.256 68.868 0.026 0.000 0.928 855 T HN 0.726 nan 8.240 nan 0.000 0.453 856 E N 0.835 121.037 120.200 0.004 0.000 2.293 856 E HA 0.567 4.917 4.350 -0.001 0.000 0.270 856 E C -1.754 174.753 176.600 -0.155 0.000 0.879 856 E CA -0.651 55.752 56.400 0.006 0.000 0.756 856 E CB 1.897 31.610 29.700 0.021 0.000 1.208 856 E HN -0.096 nan 8.360 nan 0.000 0.428 857 V N 4.507 124.330 119.914 -0.151 0.000 2.540 857 V HA 0.608 4.727 4.120 -0.001 0.000 0.302 857 V C -0.233 175.881 176.094 0.032 0.000 1.035 857 V CA -0.692 61.528 62.300 -0.134 0.000 0.873 857 V CB 1.681 33.331 31.823 -0.287 0.000 0.992 857 V HN 0.679 nan 8.190 nan 0.000 0.428 858 R N 2.558 123.072 120.500 0.023 0.000 2.750 858 R HA 0.877 5.217 4.340 -0.001 0.000 0.281 858 R C -1.733 174.594 176.300 0.044 0.000 0.972 858 R CA -0.679 55.450 56.100 0.048 0.000 0.912 858 R CB 2.581 32.894 30.300 0.022 0.000 1.187 858 R HN 0.515 nan 8.270 nan 0.000 0.464 859 V N 1.466 121.423 119.914 0.071 0.000 2.623 859 V HA 0.702 4.822 4.120 -0.001 0.000 0.304 859 V C -0.831 175.332 176.094 0.115 0.000 1.054 859 V CA -0.843 61.505 62.300 0.080 0.000 0.882 859 V CB 1.795 33.654 31.823 0.061 0.000 1.002 859 V HN 0.919 nan 8.190 nan 0.000 0.424 860 A N 3.235 126.137 122.820 0.138 0.000 2.386 860 A HA 0.816 5.136 4.320 -0.001 0.000 0.311 860 A C -0.597 177.107 177.584 0.201 0.000 1.068 860 A CA -0.611 51.507 52.037 0.134 0.000 0.743 860 A CB 1.536 20.580 19.000 0.073 0.000 1.258 860 A HN 0.866 nan 8.150 nan 0.000 0.429 861 E N 2.323 122.612 120.200 0.148 0.000 2.266 861 E HA 0.291 4.640 4.350 -0.001 0.000 0.277 861 E C 0.482 177.011 176.600 -0.117 0.000 1.018 861 E CA -0.452 55.920 56.400 -0.046 0.000 0.840 861 E CB 0.477 30.152 29.700 -0.042 0.000 1.082 861 E HN 0.795 nan 8.360 nan 0.000 0.395 862 N N 1.939 120.498 118.700 -0.235 0.000 1.758 862 N HA -0.416 4.324 4.740 -0.001 0.000 0.152 862 N C 0.502 175.979 175.510 -0.054 0.000 0.558 862 N CA 2.562 55.531 53.050 -0.134 0.000 1.229 862 N CB -1.367 37.052 38.487 -0.113 0.000 1.337 862 N HN 0.712 nan 8.380 nan 0.000 0.432 863 N N 0.592 119.272 118.700 -0.034 0.000 2.143 863 N HA 0.189 4.928 4.740 -0.001 0.000 0.229 863 N C 0.368 175.875 175.510 -0.004 0.000 1.294 863 N CA 0.345 53.387 53.050 -0.012 0.000 0.883 863 N CB 0.449 38.930 38.487 -0.010 0.000 1.148 863 N HN 0.470 nan 8.380 nan 0.000 0.511 864 Q N 1.200 120.998 119.800 -0.003 0.000 2.469 864 Q HA 0.206 4.546 4.340 -0.001 0.000 0.279 864 Q C -2.087 173.924 176.000 0.018 0.000 1.097 864 Q CA -0.410 55.398 55.803 0.010 0.000 0.951 864 Q CB 0.392 29.140 28.738 0.018 0.000 1.297 864 Q HN 0.391 nan 8.270 nan 0.000 0.465 865 P HA 0.010 nan 4.420 nan 0.000 0.272 865 P C -0.908 176.412 177.300 0.033 0.000 1.223 865 P CA 0.201 63.313 63.100 0.020 0.000 0.784 865 P CB 0.554 32.264 31.700 0.017 0.000 0.923 866 M N 2.656 122.275 119.600 0.030 0.000 2.162 866 M HA 0.167 4.646 4.480 -0.001 0.000 0.356 866 M C 0.292 176.620 176.300 0.047 0.000 1.303 866 M CA -0.090 55.235 55.300 0.042 0.000 1.116 866 M CB 0.330 32.947 32.600 0.028 0.000 1.632 866 M HN 0.298 nan 8.290 nan 0.000 0.469 867 N N 1.921 120.661 118.700 0.066 0.000 2.489 867 N HA 0.567 5.307 4.740 -0.001 0.000 0.284 867 N C -0.582 174.980 175.510 0.088 0.000 1.158 867 N CA -0.578 52.514 53.050 0.070 0.000 0.965 867 N CB 0.858 39.390 38.487 0.076 0.000 1.195 867 N HN 0.667 nan 8.380 nan 0.000 0.506 868 A N 0.117 122.987 122.820 0.083 0.000 2.425 868 A HA 0.161 4.481 4.320 -0.001 0.000 0.242 868 A C -0.427 177.252 177.584 0.157 0.000 1.077 868 A CA 0.159 52.259 52.037 0.106 0.000 0.781 868 A CB -0.253 18.797 19.000 0.083 0.000 1.020 868 A HN 0.835 nan 8.150 nan 0.000 0.494 869 H N 0.476 119.599 119.070 0.089 0.000 2.547 869 H HA 0.461 5.016 4.556 -0.001 0.000 0.342 869 H C 0.729 176.178 175.328 0.202 0.000 1.048 869 H CA 0.050 56.166 56.048 0.113 0.000 1.204 869 H CB 1.685 31.503 29.762 0.093 0.000 1.493 869 H HN 0.510 nan 8.280 nan 0.000 0.511 870 S N 2.580 118.164 115.700 -0.193 0.000 2.371 870 S HA -0.068 4.401 4.470 -0.001 0.000 0.219 870 S C 0.719 175.289 174.600 -0.048 0.000 1.040 870 S CA 0.086 58.249 58.200 -0.061 0.000 0.958 870 S CB -0.193 62.934 63.200 -0.122 0.000 0.860 870 S HN 0.609 nan 8.310 nan 0.000 0.487 871 N N 2.088 120.672 118.700 -0.194 0.000 2.400 871 N HA 0.366 5.105 4.740 -0.001 0.000 0.278 871 N C -0.907 174.760 175.510 0.262 0.000 1.247 871 N CA -0.027 53.008 53.050 -0.025 0.000 0.970 871 N CB -0.594 37.878 38.487 -0.024 0.000 1.312 871 N HN 0.423 nan 8.380 nan 0.000 0.488 872 F N -0.839 119.154 119.950 0.072 0.000 2.693 872 F HA 0.617 5.144 4.527 -0.001 0.000 0.309 872 F C -1.171 174.653 175.800 0.039 0.000 1.129 872 F CA -0.949 57.094 58.000 0.071 0.000 0.948 872 F CB 1.005 40.066 39.000 0.103 0.000 1.315 872 F HN -0.083 nan 8.300 nan 0.000 0.447 873 T N 2.121 116.814 114.554 0.232 0.000 2.881 873 T HA 0.407 4.756 4.350 -0.001 0.000 0.290 873 T C -2.237 172.632 174.700 0.281 0.000 1.000 873 T CA -0.488 61.677 62.100 0.107 0.000 0.978 873 T CB 1.289 70.162 68.868 0.007 0.000 0.997 873 T HN 0.721 nan 8.240 nan 0.000 0.443 874 Y N 2.626 123.006 120.300 0.132 0.000 2.341 874 Y HA 0.551 5.101 4.550 -0.001 0.000 0.338 874 Y C -0.951 174.967 175.900 0.029 0.000 0.965 874 Y CA -1.277 56.883 58.100 0.100 0.000 1.108 874 Y CB 1.263 39.822 38.460 0.166 0.000 1.180 874 Y HN 0.558 nan 8.280 nan 0.000 0.458 875 D N 4.710 124.687 120.400 -0.705 0.000 2.460 875 D HA 0.396 5.035 4.640 -0.001 0.000 0.232 875 D C 0.358 176.184 176.300 -0.791 0.000 1.079 875 D CA 0.002 53.667 54.000 -0.557 0.000 0.864 875 D CB 1.479 42.102 40.800 -0.295 0.000 1.048 875 D HN 0.710 nan 8.370 nan 0.000 0.523 876 A N 2.728 125.171 122.820 -0.628 0.000 2.067 876 A HA -0.070 4.250 4.320 -0.001 0.000 0.219 876 A C 1.982 179.472 177.584 -0.156 0.000 1.158 876 A CA 1.223 53.062 52.037 -0.329 0.000 0.661 876 A CB -0.189 18.814 19.000 0.006 0.000 0.801 876 A HN 0.541 nan 8.150 nan 0.000 0.452 877 S N 1.030 116.639 115.700 -0.151 0.000 2.345 877 S HA -0.119 4.351 4.470 -0.001 0.000 0.220 877 S C 1.454 176.000 174.600 -0.090 0.000 1.031 877 S CA 1.489 59.634 58.200 -0.092 0.000 0.996 877 S CB -0.372 62.779 63.200 -0.082 0.000 0.882 877 S HN 0.645 nan 8.310 nan 0.000 0.445 878 N N 0.605 119.230 118.700 -0.125 0.000 2.280 878 N HA 0.135 4.875 4.740 -0.001 0.000 0.192 878 N C -0.431 175.026 175.510 -0.088 0.000 1.109 878 N CA 0.077 53.071 53.050 -0.094 0.000 0.855 878 N CB -0.073 38.352 38.487 -0.103 0.000 0.974 878 N HN 0.115 nan 8.380 nan 0.000 0.482 879 Q N -0.625 119.093 119.800 -0.137 0.000 2.453 879 Q HA -0.146 4.194 4.340 -0.001 0.000 0.294 879 Q C -0.929 175.010 176.000 -0.103 0.000 1.295 879 Q CA 0.510 56.262 55.803 -0.086 0.000 0.853 879 Q CB -2.251 26.512 28.738 0.041 0.000 1.193 879 Q HN 0.116 nan 8.270 nan 0.000 0.461 880 V N 0.911 120.698 119.914 -0.212 0.000 2.483 880 V HA 0.608 4.728 4.120 -0.001 0.000 0.295 880 V C 0.112 176.112 176.094 -0.158 0.000 1.035 880 V CA -0.904 61.284 62.300 -0.187 0.000 0.896 880 V CB 1.908 33.620 31.823 -0.185 0.000 0.986 880 V HN 0.338 nan 8.190 nan 0.000 0.447 881 L N 6.828 127.970 121.223 -0.136 0.000 2.333 881 L HA 0.757 5.097 4.340 -0.001 0.000 0.280 881 L C -0.788 175.995 176.870 -0.146 0.000 1.004 881 L CA -0.260 54.535 54.840 -0.076 0.000 0.820 881 L CB 1.539 43.489 42.059 -0.180 0.000 1.247 881 L HN 0.678 nan 8.230 nan 0.000 0.416 882 L N 3.867 125.056 121.223 -0.057 0.000 2.349 882 L HA 0.705 5.044 4.340 -0.001 0.000 0.278 882 L C -1.144 175.732 176.870 0.009 0.000 0.996 882 L CA -0.508 54.287 54.840 -0.076 0.000 0.825 882 L CB 1.468 43.476 42.059 -0.084 0.000 1.243 882 L HN 0.507 nan 8.230 nan 0.000 0.412 883 I N 4.322 124.864 120.570 -0.046 0.000 2.297 883 I HA 0.635 4.805 4.170 -0.001 0.000 0.291 883 I C 0.655 176.778 176.117 0.010 0.000 1.033 883 I CA -0.199 61.108 61.300 0.011 0.000 1.253 883 I CB 1.348 39.266 38.000 -0.136 0.000 1.396 883 I HN 0.895 nan 8.210 nan 0.000 0.476 884 A N 4.306 127.198 122.820 0.120 0.000 2.269 884 A HA 0.493 4.813 4.320 -0.001 0.000 0.319 884 A C 0.288 177.974 177.584 0.171 0.000 1.110 884 A CA -0.333 51.758 52.037 0.090 0.000 0.847 884 A CB 0.583 19.621 19.000 0.063 0.000 1.161 884 A HN 0.872 nan 8.150 nan 0.000 0.497 885 D N -1.141 119.311 120.400 0.087 0.000 2.746 885 D HA -0.114 4.526 4.640 -0.001 0.000 0.241 885 D C -0.832 175.569 176.300 0.168 0.000 1.140 885 D CA 0.957 55.014 54.000 0.096 0.000 0.707 885 D CB -1.800 39.042 40.800 0.071 0.000 1.034 885 D HN 0.414 nan 8.370 nan 0.000 0.423 886 L N 0.114 121.369 121.223 0.053 0.000 2.376 886 L HA 0.655 4.995 4.340 -0.001 0.000 0.267 886 L C 1.096 177.934 176.870 -0.053 0.000 1.035 886 L CA -0.846 53.988 54.840 -0.010 0.000 0.800 886 L CB 0.930 42.887 42.059 -0.170 0.000 1.290 886 L HN -0.005 nan 8.230 nan 0.000 0.462 887 K N 0.806 121.140 120.400 -0.110 0.000 3.309 887 K HA 0.423 4.743 4.320 -0.001 0.000 0.187 887 K C -1.479 174.945 176.600 -0.293 0.000 1.085 887 K CA 0.038 56.248 56.287 -0.128 0.000 0.867 887 K CB -0.062 32.414 32.500 -0.039 0.000 0.846 887 K HN 0.374 nan 8.250 nan 0.000 0.522 888 L N 1.705 122.643 121.223 -0.476 0.000 2.385 888 L HA 0.324 4.664 4.340 -0.001 0.000 0.285 888 L C -0.306 176.361 176.870 -0.338 0.000 1.125 888 L CA -0.560 53.686 54.840 -0.990 0.000 0.890 888 L CB -0.044 41.513 42.059 -0.836 0.000 1.251 888 L HN 0.232 nan 8.230 nan 0.000 0.445 889 N N 2.663 121.342 118.700 -0.034 0.000 2.458 889 N HA 0.281 5.021 4.740 -0.001 0.000 0.270 889 N C -0.467 175.216 175.510 0.287 0.000 1.102 889 N CA -0.622 52.502 53.050 0.122 0.000 0.967 889 N CB 0.902 39.488 38.487 0.164 0.000 1.078 889 N HN 0.324 nan 8.380 nan 0.000 0.471 890 L N 2.268 123.563 121.223 0.120 0.000 2.601 890 L HA 0.092 4.431 4.340 -0.001 0.000 0.277 890 L C 1.577 178.649 176.870 0.336 0.000 1.219 890 L CA 1.273 56.291 54.840 0.296 0.000 0.915 890 L CB -0.335 41.802 42.059 0.130 0.000 1.160 890 L HN 0.909 nan 8.230 nan 0.000 0.494 891 G N 2.925 111.994 108.800 0.448 0.000 2.428 891 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.199 891 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.199 891 G C 0.543 175.551 174.900 0.180 0.000 1.005 891 G CA -0.341 44.888 45.100 0.214 0.000 0.671 891 G HN 0.490 nan 8.290 nan 0.000 0.485 892 R N 0.104 120.788 120.500 0.307 0.000 2.902 892 R HA 0.631 4.971 4.340 -0.001 0.000 0.258 892 R C -1.017 175.326 176.300 0.073 0.000 1.071 892 R CA -0.933 55.222 56.100 0.091 0.000 1.024 892 R CB 0.738 31.000 30.300 -0.062 0.000 1.184 892 R HN 0.136 nan 8.270 nan 0.000 0.492 893 N N 0.397 118.951 118.700 -0.244 0.000 2.487 893 N HA 0.462 5.201 4.740 -0.001 0.000 0.292 893 N C -1.258 173.924 175.510 -0.546 0.000 1.108 893 N CA -0.012 52.958 53.050 -0.132 0.000 0.956 893 N CB 0.846 39.310 38.487 -0.039 0.000 1.176 893 N HN 0.268 nan 8.380 nan 0.000 0.484 894 F N -0.882 119.176 119.950 0.181 0.000 2.626 894 F HA 0.488 5.015 4.527 -0.001 0.000 0.311 894 F C 0.169 176.020 175.800 0.086 0.000 1.088 894 F CA -0.734 57.336 58.000 0.116 0.000 0.949 894 F CB 1.903 40.967 39.000 0.106 0.000 1.322 894 F HN 0.130 nan 8.300 nan 0.000 0.461 895 S N 0.858 116.709 115.700 0.253 0.000 2.521 895 S HA 0.833 5.303 4.470 -0.001 0.000 0.295 895 S C -1.441 173.224 174.600 0.108 0.000 1.098 895 S CA -0.626 57.656 58.200 0.137 0.000 0.999 895 S CB 1.918 65.161 63.200 0.072 0.000 1.034 895 S HN 0.339 nan 8.310 nan 0.000 0.483 896 V N 3.980 123.940 119.914 0.077 0.000 2.531 896 V HA 0.521 4.641 4.120 -0.001 0.000 0.301 896 V C -0.492 175.630 176.094 0.048 0.000 1.034 896 V CA -0.706 61.644 62.300 0.083 0.000 0.865 896 V CB 1.766 33.653 31.823 0.107 0.000 0.995 896 V HN 0.784 nan 8.190 nan 0.000 0.424 897 Q N 2.777 122.576 119.800 -0.003 0.000 2.345 897 Q HA 0.597 4.936 4.340 -0.001 0.000 0.268 897 Q C -1.323 174.669 176.000 -0.012 0.000 1.054 897 Q CA -0.627 55.058 55.803 -0.197 0.000 0.835 897 Q CB 3.150 31.781 28.738 -0.177 0.000 1.339 897 Q HN 0.839 nan 8.270 nan 0.000 0.447 898 W N 0.000 121.213 121.300 -0.146 0.000 2.388 898 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 898 W CA 0.000 57.221 57.345 -0.207 0.000 1.226 898 W CB 0.000 29.321 29.460 -0.231 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535