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 1lfg_1_A DATA FIRST_RESID 1 DATA SEQUENCE GRRRSVQWcA VSNPEATKcF QWQRNMRKVR GPPVScIKRD SPIQcIQAIA DATA SEQUENCE ENRADAVTLD GGFIYEAGLA PYKLRPVAAE VYGTERQPRT HYYAVAVVKK DATA SEQUENCE GGSFQLNELQ GLKScHTGLR RTAGWNVPIG TLRPFLNWTG PPEPIEAAVA DATA SEQUENCE RFFSAScVPG ADKGQFPNLc RLcAGTGENK cAFSSQEPYF SYSGAFKcLK DATA SEQUENCE DGAGDVAFIR ESTVFEDLSD EAERDEYELL cPDNTRKPVD KFKDcHLARV DATA SEQUENCE PSHAVVARSV NGKEDAIWNL LRQAQEKFGK DKSPKFQLFG SPSGQKDLLF DATA SEQUENCE KDSAIGFSRV PPRIDSGLYL GSGYFTAIQN LRKSEEEVAA RRARVVWcAV DATA SEQUENCE GEQELRKcNQ WSGLSEGSVT cSSASTTEDc IALVLKGEAD AMSLDGGYVY DATA SEQUENCE TAGKcGLVPV LAENYKSAQS SDPDPNcVDR PVEGYLAVAV VRRSDTSLTW DATA SEQUENCE NSVKGKKScH TAVDRTAGWN IPMGLLFNQT GScKFDEYFS QScAPGSDPA DATA SEQUENCE SNLcALcIGD EEGENKcVPN SNERYYGYTG AFRcLAENAG DVAFVKDVTV DATA SEQUENCE LQNTDGNNNE AWAKDLKLAD FALLcLDGKR KPVTEARScH LAMAPNHAVV DATA SEQUENCE SRMDKVERLK QVLLHQQAKF GRNGSDcPDK FcLFQSETKN LLFNDNTEcL DATA SEQUENCE ARLHGKTTYE KYLGPQYVAG ITNLKKcSTS PLLEAcEFLR K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.971 3.960 0.018 0.000 0.244 1 G C 0.000 174.899 174.900 -0.002 0.000 0.946 1 G CA 0.000 45.100 45.100 -0.001 0.000 0.502 2 R N -0.822 119.677 120.500 -0.001 0.000 2.495 2 R HA 0.285 4.636 4.340 0.018 0.000 0.299 2 R C 1.021 177.320 176.300 -0.001 0.000 0.902 2 R CA -0.538 55.561 56.100 -0.001 0.000 1.103 2 R CB 0.173 30.472 30.300 -0.001 0.000 1.750 2 R HN 0.056 nan 8.270 nan 0.000 0.480 3 R N 2.695 123.195 120.500 0.000 0.000 4.680 3 R HA 0.193 4.544 4.340 0.018 0.000 0.222 3 R C 1.278 177.576 176.300 -0.003 0.000 1.803 3 R CA -0.232 55.869 56.100 0.001 0.000 1.560 3 R CB -0.248 30.055 30.300 0.005 0.000 1.412 3 R HN 0.243 nan 8.270 nan 0.000 0.815 4 R N -0.347 120.150 120.500 -0.005 0.000 2.189 4 R HA -0.160 4.191 4.340 0.018 0.000 0.252 4 R C -0.308 175.984 176.300 -0.014 0.000 1.134 4 R CA 2.077 58.172 56.100 -0.009 0.000 0.954 4 R CB -0.077 30.218 30.300 -0.008 0.000 0.890 4 R HN 0.357 nan 8.270 nan 0.000 0.443 5 S N -2.586 113.108 115.700 -0.011 0.000 2.588 5 S HA 0.409 4.890 4.470 0.018 0.000 0.269 5 S C -1.715 172.882 174.600 -0.004 0.000 1.157 5 S CA -0.701 57.489 58.200 -0.016 0.000 0.824 5 S CB 2.404 65.592 63.200 -0.020 0.000 1.126 5 S HN 0.005 nan 8.310 nan 0.000 0.464 6 V N 3.093 123.008 119.914 0.002 0.000 2.247 6 V HA 0.264 4.395 4.120 0.018 0.000 0.262 6 V C -0.195 175.933 176.094 0.057 0.000 1.096 6 V CA -0.277 62.045 62.300 0.037 0.000 0.895 6 V CB 0.452 32.333 31.823 0.096 0.000 1.141 6 V HN 0.766 nan 8.190 nan 0.000 0.478 7 Q N 4.393 124.206 119.800 0.022 0.000 2.257 7 Q HA 0.007 4.358 4.340 0.018 0.000 0.273 7 Q C -0.204 175.817 176.000 0.035 0.000 1.153 7 Q CA 0.407 56.226 55.803 0.027 0.000 0.922 7 Q CB 0.716 29.450 28.738 -0.007 0.000 1.242 7 Q HN 0.680 nan 8.270 nan 0.000 0.409 8 W N 3.026 124.292 121.300 -0.056 0.000 2.261 8 W HA 0.248 4.919 4.660 0.018 0.000 0.323 8 W C -0.485 176.015 176.519 -0.032 0.000 1.243 8 W CA -0.950 56.390 57.345 -0.007 0.000 1.210 8 W CB 1.345 30.836 29.460 0.050 0.000 1.149 8 W HN 0.517 nan 8.180 nan 0.000 0.562 9 c N 5.718 124.257 118.600 -0.102 0.000 2.273 9 c HA 0.736 5.317 4.570 0.018 0.000 0.328 9 c C 0.360 174.493 174.090 0.073 0.000 1.275 9 c CA -0.315 55.992 56.329 -0.036 0.000 1.704 9 c CB -0.871 41.565 42.510 -0.125 0.000 2.326 9 c HN 0.588 nan 8.230 nan 0.000 0.517 10 A N 4.030 126.883 122.820 0.054 0.000 2.295 10 A HA 0.622 4.953 4.320 0.018 0.000 0.318 10 A C 0.606 178.198 177.584 0.013 0.000 1.134 10 A CA 0.019 52.084 52.037 0.046 0.000 0.827 10 A CB 0.946 19.934 19.000 -0.020 0.000 1.136 10 A HN 1.793 nan 8.150 nan 0.000 0.493 11 V N -0.673 119.249 119.914 0.014 0.000 3.276 11 V HA 0.510 4.641 4.120 0.018 0.000 0.319 11 V C 0.183 176.274 176.094 -0.005 0.000 1.427 11 V CA 0.901 63.201 62.300 0.000 0.000 1.102 11 V CB -1.411 30.413 31.823 0.002 0.000 1.020 11 V HN 1.570 nan 8.190 nan 0.000 0.456 12 S N -1.146 114.554 115.700 -0.000 0.000 2.683 12 S HA 0.296 4.777 4.470 0.018 0.000 0.269 12 S C 0.382 174.988 174.600 0.010 0.000 1.165 12 S CA 0.042 58.241 58.200 -0.001 0.000 0.840 12 S CB 0.992 64.191 63.200 -0.001 0.000 1.169 12 S HN 0.176 nan 8.310 nan 0.000 0.490 13 N N 1.061 119.772 118.700 0.018 0.000 2.197 13 N HA 0.093 4.844 4.740 0.018 0.000 0.184 13 N C -1.013 174.524 175.510 0.044 0.000 1.030 13 N CA 1.110 54.183 53.050 0.039 0.000 0.851 13 N CB -1.014 37.495 38.487 0.038 0.000 1.003 13 N HN 0.457 nan 8.380 nan 0.000 0.430 14 P HA -0.164 nan 4.420 nan 0.000 0.215 14 P C 1.087 178.405 177.300 0.030 0.000 1.163 14 P CA 1.471 64.596 63.100 0.041 0.000 0.894 14 P CB -0.242 31.480 31.700 0.038 0.000 0.791 15 E N -0.217 119.991 120.200 0.014 0.000 2.068 15 E HA -0.249 4.112 4.350 0.018 0.000 0.207 15 E C 2.144 178.710 176.600 -0.057 0.000 1.032 15 E CA 1.840 58.234 56.400 -0.011 0.000 0.839 15 E CB -0.734 28.962 29.700 -0.007 0.000 0.758 15 E HN 0.198 nan 8.360 nan 0.000 0.457 16 A N 0.673 123.447 122.820 -0.077 0.000 1.933 16 A HA -0.158 4.173 4.320 0.018 0.000 0.218 16 A C 2.362 179.840 177.584 -0.177 0.000 1.175 16 A CA 1.914 53.801 52.037 -0.250 0.000 0.628 16 A CB -0.688 18.230 19.000 -0.137 0.000 0.814 16 A HN 0.199 nan 8.150 nan 0.000 0.444 17 T N -0.804 113.790 114.554 0.067 0.000 2.951 17 T HA -0.072 4.289 4.350 0.018 0.000 0.268 17 T C 1.926 176.691 174.700 0.109 0.000 1.073 17 T CA 1.563 63.768 62.100 0.175 0.000 1.134 17 T CB -0.058 68.888 68.868 0.130 0.000 0.884 17 T HN 0.607 nan 8.240 nan 0.000 0.479 18 K N 0.270 120.698 120.400 0.048 0.000 2.044 18 K HA -0.014 4.317 4.320 0.018 0.000 0.204 18 K C 2.535 179.166 176.600 0.051 0.000 1.049 18 K CA 0.862 57.198 56.287 0.081 0.000 0.945 18 K CB -0.494 32.060 32.500 0.091 0.000 0.724 18 K HN 0.285 nan 8.250 nan 0.000 0.440 19 c N 0.986 119.556 118.600 -0.050 0.000 2.409 19 c HA -0.050 4.531 4.570 0.018 0.000 0.288 19 c C 2.091 176.104 174.090 -0.128 0.000 1.395 19 c CA 0.394 56.688 56.329 -0.059 0.000 1.792 19 c CB -1.322 41.038 42.510 -0.250 0.000 1.847 19 c HN 0.468 nan 8.230 nan 0.000 0.534 20 F N 1.284 121.221 119.950 -0.021 0.000 2.262 20 F HA 0.049 4.587 4.527 0.019 0.000 0.292 20 F C 2.515 178.214 175.800 -0.168 0.000 1.081 20 F CA 1.284 59.233 58.000 -0.085 0.000 1.355 20 F CB -1.040 37.928 39.000 -0.053 0.000 1.069 20 F HN 0.349 nan 8.300 nan 0.000 0.506 21 Q N -0.658 119.133 119.800 -0.015 0.000 2.020 21 Q HA -0.267 4.084 4.340 0.018 0.000 0.202 21 Q C 2.024 177.690 176.000 -0.557 0.000 0.982 21 Q CA 1.807 57.456 55.803 -0.257 0.000 0.838 21 Q CB -1.288 27.303 28.738 -0.245 0.000 0.899 21 Q HN 0.391 nan 8.270 nan 0.000 0.423 22 W N 2.549 123.234 121.300 -1.026 0.000 2.286 22 W HA -0.361 4.310 4.660 0.018 0.000 0.341 22 W C 2.431 178.614 176.519 -0.560 0.000 1.359 22 W CA 2.303 58.997 57.345 -1.085 0.000 1.269 22 W CB -1.102 28.076 29.460 -0.470 0.000 1.123 22 W HN 0.425 nan 8.180 nan 0.000 0.467 23 Q N 0.532 120.171 119.800 -0.269 0.000 2.112 23 Q HA -0.290 4.061 4.340 0.018 0.000 0.206 23 Q C 2.330 178.223 176.000 -0.180 0.000 0.987 23 Q CA 2.982 58.629 55.803 -0.260 0.000 0.858 23 Q CB -0.482 28.183 28.738 -0.121 0.000 0.905 23 Q HN 0.594 nan 8.270 nan 0.000 0.420 24 R N 0.101 120.505 120.500 -0.161 0.000 2.073 24 R HA -0.101 4.250 4.340 0.018 0.000 0.234 24 R C 1.755 177.974 176.300 -0.136 0.000 1.134 24 R CA 1.792 57.814 56.100 -0.130 0.000 0.952 24 R CB -0.792 29.443 30.300 -0.107 0.000 0.850 24 R HN 0.428 nan 8.270 nan 0.000 0.433 25 N N 0.268 118.832 118.700 -0.227 0.000 2.396 25 N HA -0.029 4.722 4.740 0.018 0.000 0.180 25 N C 1.837 177.356 175.510 0.015 0.000 1.028 25 N CA 0.816 53.767 53.050 -0.166 0.000 0.893 25 N CB -0.022 38.212 38.487 -0.423 0.000 0.967 25 N HN 0.201 nan 8.380 nan 0.000 0.440 26 M N 1.576 121.161 119.600 -0.024 0.000 2.067 26 M HA -0.122 4.369 4.480 0.018 0.000 0.260 26 M C 2.311 178.650 176.300 0.065 0.000 1.069 26 M CA 1.529 56.888 55.300 0.098 0.000 1.117 26 M CB -0.676 31.885 32.600 -0.064 0.000 1.334 26 M HN 0.236 nan 8.290 nan 0.000 0.407 27 R N -0.030 120.467 120.500 -0.004 0.000 2.153 27 R HA -0.066 4.286 4.340 0.018 0.000 0.218 27 R C 2.045 178.358 176.300 0.021 0.000 1.072 27 R CA 1.022 57.122 56.100 -0.000 0.000 0.990 27 R CB -0.585 29.701 30.300 -0.024 0.000 0.889 27 R HN 0.294 nan 8.270 nan 0.000 0.452 28 K N 1.363 121.781 120.400 0.030 0.000 2.152 28 K HA -0.077 4.254 4.320 0.018 0.000 0.206 28 K C 1.177 177.819 176.600 0.070 0.000 1.048 28 K CA 1.454 57.767 56.287 0.043 0.000 0.933 28 K CB 0.220 32.747 32.500 0.044 0.000 0.721 28 K HN 0.151 nan 8.250 nan 0.000 0.447 29 V N 0.858 120.838 119.914 0.110 0.000 3.621 29 V HA 0.129 4.261 4.120 0.018 0.000 0.285 29 V C 0.285 176.419 176.094 0.066 0.000 1.346 29 V CA -0.109 62.255 62.300 0.107 0.000 1.104 29 V CB -0.180 31.743 31.823 0.166 0.000 0.913 29 V HN 0.351 nan 8.190 nan 0.000 0.432 30 R N -0.178 120.354 120.500 0.054 0.000 3.878 30 R HA -0.141 4.210 4.340 0.018 0.000 0.330 30 R C 0.845 177.164 176.300 0.030 0.000 1.186 30 R CA 0.734 56.852 56.100 0.031 0.000 0.885 30 R CB -1.925 28.387 30.300 0.021 0.000 1.377 30 R HN 0.619 nan 8.270 nan 0.000 0.523 31 G N 1.271 110.103 108.800 0.052 0.000 2.653 31 G HA2 0.435 4.406 3.960 0.018 0.000 0.265 31 G HA3 0.435 4.406 3.960 0.018 0.000 0.265 31 G C -2.178 172.735 174.900 0.021 0.000 1.237 31 G CA -0.722 44.406 45.100 0.048 0.000 0.946 31 G HN -0.055 nan 8.290 nan 0.000 0.522 32 P HA 0.219 nan 4.420 nan 0.000 0.269 32 P C -2.306 174.967 177.300 -0.046 0.000 1.209 32 P CA -0.977 62.117 63.100 -0.010 0.000 0.776 32 P CB 0.454 32.153 31.700 -0.001 0.000 0.876 33 P HA 0.237 nan 4.420 nan 0.000 0.276 33 P C -1.081 176.127 177.300 -0.154 0.000 1.244 33 P CA -0.222 62.818 63.100 -0.101 0.000 0.801 33 P CB 0.978 32.641 31.700 -0.061 0.000 1.006 34 V N 1.032 120.807 119.914 -0.232 0.000 2.737 34 V HA 0.414 4.545 4.120 0.018 0.000 0.298 34 V C -0.811 175.150 176.094 -0.221 0.000 1.163 34 V CA -0.271 61.854 62.300 -0.292 0.000 0.925 34 V CB 1.854 33.270 31.823 -0.679 0.000 1.037 34 V HN 0.874 nan 8.190 nan 0.000 0.433 35 S N 6.165 121.808 115.700 -0.095 0.000 2.537 35 S HA 0.749 5.230 4.470 0.018 0.000 0.301 35 S C -0.288 174.320 174.600 0.015 0.000 1.092 35 S CA -0.618 57.579 58.200 -0.004 0.000 1.048 35 S CB 1.545 64.758 63.200 0.022 0.000 1.053 35 S HN 0.947 nan 8.310 nan 0.000 0.501 36 c N 2.696 121.314 118.600 0.029 0.000 2.370 36 c HA 0.774 5.355 4.570 0.018 0.000 0.354 36 c C -0.209 173.892 174.090 0.018 0.000 1.218 36 c CA -0.668 55.612 56.329 -0.081 0.000 2.154 36 c CB -0.437 41.678 42.510 -0.659 0.000 2.391 36 c HN 0.813 nan 8.230 nan 0.000 0.540 37 I N 2.208 122.776 120.570 -0.004 0.000 2.689 37 I HA 0.508 4.689 4.170 0.018 0.000 0.299 37 I C -0.071 176.047 176.117 0.001 0.000 1.059 37 I CA -0.415 60.897 61.300 0.021 0.000 1.055 37 I CB 1.331 39.338 38.000 0.013 0.000 1.243 37 I HN 0.458 nan 8.210 nan 0.000 0.425 38 K N 4.947 125.360 120.400 0.022 0.000 2.259 38 K HA 0.733 5.064 4.320 0.018 0.000 0.252 38 K C -0.856 175.747 176.600 0.006 0.000 0.936 38 K CA -0.722 55.575 56.287 0.016 0.000 0.810 38 K CB 1.940 34.463 32.500 0.038 0.000 1.143 38 K HN 0.533 nan 8.250 nan 0.000 0.427 39 R N 1.096 121.594 120.500 -0.003 0.000 2.756 39 R HA 0.204 4.555 4.340 0.018 0.000 0.273 39 R C -0.576 175.714 176.300 -0.016 0.000 1.030 39 R CA -0.633 55.459 56.100 -0.013 0.000 0.887 39 R CB 0.410 30.695 30.300 -0.026 0.000 1.274 39 R HN 0.541 nan 8.270 nan 0.000 0.461 40 D N 0.022 120.408 120.400 -0.025 0.000 2.407 40 D HA 0.119 4.770 4.640 0.018 0.000 0.208 40 D C -0.075 176.203 176.300 -0.038 0.000 1.083 40 D CA 0.608 54.591 54.000 -0.028 0.000 0.844 40 D CB 0.722 41.507 40.800 -0.026 0.000 0.967 40 D HN 0.466 nan 8.370 nan 0.000 0.506 41 S N -1.613 114.057 115.700 -0.050 0.000 2.587 41 S HA 0.380 4.861 4.470 0.018 0.000 0.269 41 S C -2.594 171.940 174.600 -0.110 0.000 1.154 41 S CA -0.997 57.158 58.200 -0.075 0.000 0.824 41 S CB 2.238 65.379 63.200 -0.098 0.000 1.118 41 S HN -0.360 nan 8.310 nan 0.000 0.462 42 P HA -0.092 nan 4.420 nan 0.000 0.215 42 P C 1.531 178.729 177.300 -0.170 0.000 1.157 42 P CA 1.127 64.084 63.100 -0.238 0.000 0.874 42 P CB -0.151 31.206 31.700 -0.571 0.000 0.790 43 I N -0.762 119.718 120.570 -0.150 0.000 2.264 43 I HA -0.230 3.951 4.170 0.018 0.000 0.248 43 I C 2.312 178.346 176.117 -0.138 0.000 1.111 43 I CA 1.677 62.913 61.300 -0.105 0.000 1.382 43 I CB -1.442 36.526 38.000 -0.053 0.000 1.060 43 I HN 0.161 nan 8.210 nan 0.000 0.418 44 Q N -0.079 119.657 119.800 -0.105 0.000 2.083 44 Q HA -0.154 4.197 4.340 0.018 0.000 0.198 44 Q C 2.608 178.549 176.000 -0.098 0.000 0.969 44 Q CA 1.634 57.389 55.803 -0.081 0.000 0.838 44 Q CB -0.040 28.664 28.738 -0.056 0.000 0.900 44 Q HN 0.515 nan 8.270 nan 0.000 0.436 45 c N 0.443 118.979 118.600 -0.106 0.000 2.429 45 c HA -0.121 4.460 4.570 0.018 0.000 0.277 45 c C 2.573 176.571 174.090 -0.154 0.000 1.262 45 c CA 0.455 56.715 56.329 -0.114 0.000 1.733 45 c CB -0.879 41.570 42.510 -0.102 0.000 2.010 45 c HN 0.475 nan 8.230 nan 0.000 0.483 46 I N 0.467 120.916 120.570 -0.202 0.000 2.208 46 I HA -0.292 3.889 4.170 0.018 0.000 0.245 46 I C 2.690 178.600 176.117 -0.344 0.000 1.097 46 I CA 1.608 62.728 61.300 -0.300 0.000 1.363 46 I CB -0.618 37.135 38.000 -0.412 0.000 1.051 46 I HN 0.517 nan 8.210 nan 0.000 0.413 47 Q N 0.593 120.201 119.800 -0.321 0.000 2.046 47 Q HA -0.163 4.188 4.340 0.018 0.000 0.200 47 Q C 2.544 178.515 176.000 -0.048 0.000 0.975 47 Q CA 1.595 57.319 55.803 -0.132 0.000 0.836 47 Q CB -0.319 28.402 28.738 -0.029 0.000 0.896 47 Q HN 0.564 nan 8.270 nan 0.000 0.428 48 A N 1.397 124.178 122.820 -0.064 0.000 1.927 48 A HA -0.230 4.101 4.320 0.018 0.000 0.220 48 A C 2.084 179.639 177.584 -0.048 0.000 1.185 48 A CA 1.510 53.520 52.037 -0.046 0.000 0.639 48 A CB -0.843 18.122 19.000 -0.058 0.000 0.820 48 A HN 0.324 nan 8.150 nan 0.000 0.451 49 I N -0.390 120.134 120.570 -0.077 0.000 2.179 49 I HA -0.288 3.893 4.170 0.018 0.000 0.242 49 I C 2.912 179.010 176.117 -0.031 0.000 1.088 49 I CA 1.211 62.467 61.300 -0.074 0.000 1.357 49 I CB -0.409 37.523 38.000 -0.113 0.000 1.051 49 I HN 0.354 nan 8.210 nan 0.000 0.409 50 A N 0.730 123.553 122.820 0.005 0.000 2.070 50 A HA -0.175 4.156 4.320 0.018 0.000 0.220 50 A C 1.586 179.199 177.584 0.048 0.000 1.159 50 A CA 1.526 53.605 52.037 0.070 0.000 0.656 50 A CB -0.621 18.519 19.000 0.233 0.000 0.800 50 A HN 0.687 nan 8.150 nan 0.000 0.453 51 E N -0.761 119.458 120.200 0.031 0.000 3.167 51 E HA 0.185 4.546 4.350 0.018 0.000 0.210 51 E C -0.540 176.061 176.600 0.001 0.000 1.004 51 E CA -0.646 55.765 56.400 0.018 0.000 1.256 51 E CB -0.694 29.023 29.700 0.027 0.000 1.193 51 E HN 0.364 nan 8.360 nan 0.000 0.448 52 N N 1.875 120.570 118.700 -0.007 0.000 2.677 52 N HA -0.227 4.524 4.740 0.018 0.000 0.249 52 N C -0.068 175.432 175.510 -0.016 0.000 1.073 52 N CA 0.936 53.977 53.050 -0.015 0.000 0.737 52 N CB -0.506 37.974 38.487 -0.011 0.000 0.999 52 N HN 0.576 nan 8.380 nan 0.000 0.543 53 R N -0.554 119.934 120.500 -0.020 0.000 2.468 53 R HA 0.531 4.882 4.340 0.018 0.000 0.280 53 R C 0.432 176.717 176.300 -0.026 0.000 0.963 53 R CA 0.341 56.431 56.100 -0.017 0.000 1.083 53 R CB 0.931 31.225 30.300 -0.011 0.000 1.200 53 R HN 0.229 nan 8.270 nan 0.000 0.541 54 A N 0.289 123.082 122.820 -0.044 0.000 2.522 54 A HA 0.274 4.605 4.320 0.018 0.000 0.294 54 A C -1.211 176.315 177.584 -0.096 0.000 1.001 54 A CA -0.815 51.181 52.037 -0.069 0.000 0.642 54 A CB 0.882 19.828 19.000 -0.089 0.000 1.326 54 A HN 0.005 nan 8.150 nan 0.000 0.435 55 D N -0.392 119.926 120.400 -0.137 0.000 2.470 55 D HA 0.471 5.122 4.640 0.018 0.000 0.238 55 D C 0.650 176.793 176.300 -0.262 0.000 1.054 55 D CA 1.476 55.384 54.000 -0.155 0.000 0.896 55 D CB 1.149 41.885 40.800 -0.107 0.000 1.118 55 D HN 1.077 nan 8.370 nan 0.000 0.497 56 A N 0.251 122.790 122.820 -0.468 0.000 2.606 56 A HA 0.663 4.994 4.320 0.018 0.000 0.293 56 A C -1.676 175.312 177.584 -0.993 0.000 1.082 56 A CA -0.609 51.004 52.037 -0.708 0.000 0.685 56 A CB 2.327 20.774 19.000 -0.923 0.000 1.284 56 A HN -0.050 nan 8.150 nan 0.000 0.408 57 V N 0.177 119.704 119.914 -0.644 0.000 3.023 57 V HA 0.655 4.786 4.120 0.018 0.000 0.294 57 V C -0.488 175.602 176.094 -0.007 0.000 1.324 57 V CA 0.381 62.466 62.300 -0.359 0.000 0.979 57 V CB 2.195 33.887 31.823 -0.218 0.000 1.093 57 V HN 1.695 nan 8.190 nan 0.000 0.434 58 T N 7.287 121.977 114.554 0.228 0.000 2.749 58 T HA 0.670 5.031 4.350 0.018 0.000 0.295 58 T C -0.601 174.226 174.700 0.212 0.000 0.936 58 T CA -0.114 62.182 62.100 0.326 0.000 1.060 58 T CB -0.014 69.212 68.868 0.598 0.000 0.904 58 T HN 0.578 nan 8.240 nan 0.000 0.500 59 L N 3.676 125.013 121.223 0.190 0.000 2.303 59 L HA 0.566 4.917 4.340 0.018 0.000 0.266 59 L C 0.206 177.138 176.870 0.102 0.000 1.011 59 L CA -1.321 53.602 54.840 0.139 0.000 0.818 59 L CB 1.970 44.136 42.059 0.178 0.000 1.326 59 L HN 0.691 nan 8.230 nan 0.000 0.435 60 D N -0.055 120.328 120.400 -0.029 0.000 2.354 60 D HA 0.220 4.871 4.640 0.018 0.000 0.247 60 D C 1.231 177.723 176.300 0.319 0.000 1.138 60 D CA 0.261 54.164 54.000 -0.162 0.000 0.958 60 D CB 1.761 42.442 40.800 -0.197 0.000 1.144 60 D HN 0.575 nan 8.370 nan 0.000 0.458 61 G N 1.312 110.397 108.800 0.475 0.000 2.513 61 G HA2 -0.300 3.671 3.960 0.018 0.000 0.219 61 G HA3 -0.300 3.671 3.960 0.018 0.000 0.219 61 G C 1.421 176.598 174.900 0.461 0.000 1.160 61 G CA 0.905 46.341 45.100 0.559 0.000 0.767 61 G HN 0.641 nan 8.290 nan 0.000 0.571 62 G N -0.018 109.016 108.800 0.389 0.000 2.450 62 G HA2 -0.132 3.839 3.960 0.018 0.000 0.220 62 G HA3 -0.132 3.839 3.960 0.018 0.000 0.220 62 G C 1.527 176.340 174.900 -0.145 0.000 1.130 62 G CA 0.815 45.987 45.100 0.120 0.000 0.760 62 G HN 0.415 nan 8.290 nan 0.000 0.557 63 F N 0.071 120.141 119.950 0.200 0.000 2.698 63 F HA 0.350 4.887 4.527 0.018 0.000 0.295 63 F C 2.392 178.270 175.800 0.130 0.000 1.124 63 F CA -0.210 57.865 58.000 0.126 0.000 1.426 63 F CB 0.087 39.126 39.000 0.065 0.000 1.120 63 F HN 0.046 nan 8.300 nan 0.000 0.583 64 I N -0.938 119.793 120.570 0.269 0.000 2.226 64 I HA -0.341 3.840 4.170 0.018 0.000 0.245 64 I C 2.414 178.643 176.117 0.186 0.000 1.100 64 I CA 1.404 62.822 61.300 0.197 0.000 1.374 64 I CB -0.516 37.609 38.000 0.208 0.000 1.057 64 I HN 0.138 nan 8.210 nan 0.000 0.413 65 Y N 2.341 122.712 120.300 0.118 0.000 2.053 65 Y HA -0.321 4.240 4.550 0.018 0.000 0.277 65 Y C 2.575 178.527 175.900 0.087 0.000 1.159 65 Y CA 1.876 60.048 58.100 0.120 0.000 1.125 65 Y CB -0.260 38.224 38.460 0.040 0.000 0.969 65 Y HN 0.125 nan 8.280 nan 0.000 0.492 66 E N 0.256 120.457 120.200 0.003 0.000 2.110 66 E HA -0.188 4.173 4.350 0.018 0.000 0.193 66 E C 2.369 178.972 176.600 0.006 0.000 0.988 66 E CA 1.128 57.491 56.400 -0.061 0.000 0.804 66 E CB -0.657 29.044 29.700 0.001 0.000 0.745 66 E HN 0.610 nan 8.360 nan 0.000 0.458 67 A N 1.004 123.841 122.820 0.028 0.000 2.014 67 A HA 0.008 4.339 4.320 0.018 0.000 0.218 67 A C 2.401 180.013 177.584 0.048 0.000 1.163 67 A CA 1.482 53.528 52.037 0.014 0.000 0.652 67 A CB -0.656 18.347 19.000 0.004 0.000 0.808 67 A HN 0.313 nan 8.150 nan 0.000 0.449 68 G N -0.513 108.284 108.800 -0.005 0.000 2.511 68 G HA2 0.224 4.196 3.960 0.018 0.000 0.217 68 G HA3 0.224 4.196 3.960 0.018 0.000 0.217 68 G C 0.686 175.562 174.900 -0.040 0.000 1.133 68 G CA -0.072 45.015 45.100 -0.022 0.000 0.792 68 G HN 0.419 nan 8.290 nan 0.000 0.539 69 L N 0.949 122.120 121.223 -0.087 0.000 2.467 69 L HA 0.431 4.782 4.340 0.018 0.000 0.270 69 L C 1.132 177.971 176.870 -0.051 0.000 1.205 69 L CA -0.712 54.069 54.840 -0.098 0.000 0.828 69 L CB 0.525 42.493 42.059 -0.150 0.000 1.101 69 L HN 0.111 nan 8.230 nan 0.000 0.479 70 A N 3.493 126.255 122.820 -0.097 0.000 2.406 70 A HA 0.310 4.641 4.320 0.018 0.000 0.243 70 A C -1.494 175.913 177.584 -0.295 0.000 1.082 70 A CA -0.805 51.144 52.037 -0.147 0.000 0.786 70 A CB -0.249 18.689 19.000 -0.104 0.000 1.029 70 A HN 0.698 nan 8.150 nan 0.000 0.495 71 P HA 0.086 nan 4.420 nan 0.000 0.261 71 P C -0.051 177.066 177.300 -0.306 0.000 1.352 71 P CA 0.488 63.367 63.100 -0.369 0.000 0.891 71 P CB 0.060 31.532 31.700 -0.379 0.000 1.383 72 Y N 1.548 121.824 120.300 -0.040 0.000 2.201 72 Y HA 0.056 4.617 4.550 0.018 0.000 0.292 72 Y C 1.408 177.282 175.900 -0.044 0.000 1.119 72 Y CA 0.400 58.476 58.100 -0.040 0.000 1.127 72 Y CB -1.100 37.337 38.460 -0.039 0.000 1.019 72 Y HN -0.117 nan 8.280 nan 0.000 0.514 73 K N 0.194 120.657 120.400 0.105 0.000 3.012 73 K HA -0.193 4.138 4.320 0.018 0.000 0.259 73 K C -0.681 175.932 176.600 0.022 0.000 0.989 73 K CA 0.327 56.634 56.287 0.033 0.000 0.728 73 K CB -2.213 30.286 32.500 -0.001 0.000 1.260 73 K HN 0.241 nan 8.250 nan 0.000 0.480 74 L N -0.226 121.017 121.223 0.033 0.000 2.466 74 L HA 0.372 4.723 4.340 0.018 0.000 0.257 74 L C 0.822 177.677 176.870 -0.026 0.000 1.189 74 L CA -0.496 54.340 54.840 -0.007 0.000 0.813 74 L CB 0.744 42.790 42.059 -0.022 0.000 1.118 74 L HN 0.216 nan 8.230 nan 0.000 0.471 75 R N 1.207 121.679 120.500 -0.046 0.000 2.628 75 R HA 0.421 4.772 4.340 0.018 0.000 0.288 75 R C -2.697 173.548 176.300 -0.093 0.000 0.980 75 R CA -1.800 54.261 56.100 -0.066 0.000 0.891 75 R CB 2.401 32.664 30.300 -0.062 0.000 1.188 75 R HN 0.234 nan 8.270 nan 0.000 0.450 76 P HA -0.015 nan 4.420 nan 0.000 0.271 76 P C 0.436 177.651 177.300 -0.141 0.000 1.226 76 P CA -0.107 62.864 63.100 -0.216 0.000 0.765 76 P CB 1.077 32.447 31.700 -0.550 0.000 0.835 77 V N 1.083 120.956 119.914 -0.069 0.000 3.523 77 V HA 0.636 4.767 4.120 0.018 0.000 0.255 77 V C 0.463 176.577 176.094 0.034 0.000 1.226 77 V CA 0.635 62.914 62.300 -0.036 0.000 1.092 77 V CB -0.333 31.490 31.823 -0.001 0.000 0.817 77 V HN 0.483 nan 8.190 nan 0.000 0.458 78 A N 0.251 123.153 122.820 0.137 0.000 2.459 78 A HA 0.920 5.251 4.320 0.018 0.000 0.296 78 A C -0.449 177.371 177.584 0.394 0.000 1.039 78 A CA 0.013 52.234 52.037 0.305 0.000 0.698 78 A CB 1.480 20.716 19.000 0.393 0.000 1.261 78 A HN 1.328 nan 8.150 nan 0.000 0.405 79 A N 2.075 125.173 122.820 0.464 0.000 2.292 79 A HA 0.661 4.992 4.320 0.018 0.000 0.319 79 A C 0.064 177.856 177.584 0.345 0.000 1.206 79 A CA -0.490 51.829 52.037 0.469 0.000 0.835 79 A CB 0.249 19.588 19.000 0.566 0.000 1.164 79 A HN 0.817 nan 8.150 nan 0.000 0.505 80 E N 0.630 120.957 120.200 0.212 0.000 2.404 80 E HA 0.313 4.674 4.350 0.018 0.000 0.261 80 E C -0.748 175.518 176.600 -0.557 0.000 1.074 80 E CA -0.011 56.250 56.400 -0.232 0.000 0.917 80 E CB 0.943 30.498 29.700 -0.241 0.000 0.965 80 E HN 0.361 nan 8.360 nan 0.000 0.433 81 V N 3.284 122.768 119.914 -0.717 0.000 2.495 81 V HA 0.293 4.424 4.120 0.018 0.000 0.298 81 V C -0.906 174.734 176.094 -0.758 0.000 1.031 81 V CA -0.612 61.323 62.300 -0.608 0.000 0.871 81 V CB 0.449 32.078 31.823 -0.324 0.000 0.988 81 V HN 0.520 nan 8.190 nan 0.000 0.432 82 Y N 1.710 121.863 120.300 -0.246 0.000 2.772 82 Y HA 0.905 5.466 4.550 0.018 0.000 0.324 82 Y C 1.088 176.851 175.900 -0.228 0.000 1.169 82 Y CA 0.023 57.960 58.100 -0.272 0.000 1.198 82 Y CB 0.913 39.211 38.460 -0.270 0.000 1.402 82 Y HN 0.921 nan 8.280 nan 0.000 0.577 83 G N 0.114 108.904 108.800 -0.017 0.000 2.498 83 G HA2 0.000 3.972 3.960 0.018 0.000 0.251 83 G HA3 0.000 3.972 3.960 0.018 0.000 0.251 83 G C -0.329 174.518 174.900 -0.088 0.000 1.170 83 G CA -0.146 44.915 45.100 -0.065 0.000 0.944 83 G HN 1.211 nan 8.290 nan 0.000 0.567 84 T N -2.335 112.171 114.554 -0.081 0.000 2.864 84 T HA 0.681 5.042 4.350 0.018 0.000 0.289 84 T C 0.916 175.572 174.700 -0.073 0.000 1.082 84 T CA 0.479 62.531 62.100 -0.080 0.000 1.009 84 T CB 1.953 70.781 68.868 -0.066 0.000 1.234 84 T HN 0.752 nan 8.240 nan 0.000 0.526 85 E N -0.111 120.050 120.200 -0.065 0.000 2.396 85 E HA -0.128 4.233 4.350 0.018 0.000 0.200 85 E C 2.115 178.691 176.600 -0.039 0.000 1.023 85 E CA 1.321 57.689 56.400 -0.053 0.000 0.857 85 E CB -0.614 29.061 29.700 -0.042 0.000 0.775 85 E HN 0.771 nan 8.360 nan 0.000 0.525 86 R N 1.105 121.582 120.500 -0.038 0.000 2.206 86 R HA 0.147 4.498 4.340 0.018 0.000 0.198 86 R C 1.278 177.562 176.300 -0.026 0.000 0.986 86 R CA 0.529 56.613 56.100 -0.027 0.000 1.029 86 R CB -0.298 29.986 30.300 -0.026 0.000 0.966 86 R HN 0.200 nan 8.270 nan 0.000 0.487 87 Q N 1.114 120.893 119.800 -0.034 0.000 3.230 87 Q HA 0.254 4.605 4.340 0.018 0.000 0.303 87 Q C -2.733 173.240 176.000 -0.044 0.000 0.884 87 Q CA -1.998 53.788 55.803 -0.028 0.000 0.859 87 Q CB 2.496 31.222 28.738 -0.019 0.000 1.432 87 Q HN 0.332 nan 8.270 nan 0.000 0.403 88 P HA 0.195 nan 4.420 nan 0.000 0.277 88 P C -0.743 176.502 177.300 -0.092 0.000 1.240 88 P CA -0.248 62.801 63.100 -0.084 0.000 0.798 88 P CB 0.928 32.579 31.700 -0.082 0.000 0.979 89 R N -1.154 119.260 120.500 -0.143 0.000 2.668 89 R HA 0.593 4.945 4.340 0.018 0.000 0.272 89 R C -0.441 175.727 176.300 -0.221 0.000 1.019 89 R CA -0.802 55.173 56.100 -0.209 0.000 0.894 89 R CB 0.502 30.543 30.300 -0.433 0.000 1.228 89 R HN 0.376 nan 8.270 nan 0.000 0.460 90 T N -1.368 113.090 114.554 -0.160 0.000 3.242 90 T HA 0.272 4.633 4.350 0.018 0.000 0.253 90 T C -0.009 174.702 174.700 0.019 0.000 0.946 90 T CA -0.462 61.574 62.100 -0.106 0.000 0.944 90 T CB -0.685 68.134 68.868 -0.082 0.000 1.122 90 T HN 0.784 nan 8.240 nan 0.000 0.546 91 H N -0.824 118.261 119.070 0.025 0.000 2.990 91 H HA 0.617 5.183 4.556 0.017 0.000 0.336 91 H C -1.624 173.734 175.328 0.051 0.000 1.306 91 H CA -1.204 54.815 56.048 -0.049 0.000 1.118 91 H CB 1.062 30.656 29.762 -0.281 0.000 1.856 91 H HN 0.324 nan 8.280 nan 0.000 0.538 92 Y N -1.183 119.023 120.300 -0.158 0.000 2.689 92 Y HA 0.635 5.196 4.550 0.018 0.000 0.333 92 Y C -2.138 173.523 175.900 -0.399 0.000 1.190 92 Y CA -1.514 56.408 58.100 -0.296 0.000 1.063 92 Y CB 0.867 39.131 38.460 -0.327 0.000 1.294 92 Y HN 0.487 nan 8.280 nan 0.000 0.466 93 Y N 0.786 121.075 120.300 -0.020 0.000 2.409 93 Y HA 0.767 5.327 4.550 0.017 0.000 0.339 93 Y C 0.026 175.932 175.900 0.009 0.000 1.033 93 Y CA -1.290 56.754 58.100 -0.094 0.000 1.094 93 Y CB 1.992 40.401 38.460 -0.084 0.000 1.210 93 Y HN 0.888 nan 8.280 nan 0.000 0.456 94 A N 3.131 126.045 122.820 0.156 0.000 2.279 94 A HA 0.664 4.995 4.320 0.018 0.000 0.306 94 A C -0.277 177.441 177.584 0.222 0.000 1.300 94 A CA -0.496 51.648 52.037 0.177 0.000 0.925 94 A CB -0.533 18.523 19.000 0.095 0.000 1.152 94 A HN 0.700 nan 8.150 nan 0.000 0.544 95 V N -0.536 119.495 119.914 0.194 0.000 3.166 95 V HA 0.970 5.101 4.120 0.018 0.000 0.317 95 V C 0.151 176.350 176.094 0.176 0.000 1.136 95 V CA -0.618 61.788 62.300 0.177 0.000 1.035 95 V CB 1.612 33.504 31.823 0.114 0.000 1.110 95 V HN 1.438 nan 8.190 nan 0.000 0.450 96 A N 1.460 124.363 122.820 0.139 0.000 2.310 96 A HA 0.790 5.121 4.320 0.018 0.000 0.304 96 A C -0.714 176.847 177.584 -0.039 0.000 1.231 96 A CA -0.541 51.527 52.037 0.051 0.000 0.799 96 A CB 1.013 20.085 19.000 0.120 0.000 1.162 96 A HN 1.082 nan 8.150 nan 0.000 0.486 97 V N 3.482 123.327 119.914 -0.115 0.000 2.472 97 V HA 0.661 4.792 4.120 0.018 0.000 0.290 97 V C 0.263 176.325 176.094 -0.053 0.000 1.037 97 V CA -0.230 62.016 62.300 -0.090 0.000 0.908 97 V CB 1.260 32.983 31.823 -0.167 0.000 0.985 97 V HN 1.103 nan 8.190 nan 0.000 0.454 98 V N 2.024 121.950 119.914 0.020 0.000 3.181 98 V HA 0.683 4.814 4.120 0.018 0.000 0.308 98 V C -0.767 175.416 176.094 0.149 0.000 1.214 98 V CA -1.250 61.083 62.300 0.055 0.000 1.053 98 V CB 2.239 34.014 31.823 -0.080 0.000 1.069 98 V HN 0.724 nan 8.190 nan 0.000 0.441 99 K N 1.421 121.880 120.400 0.099 0.000 2.172 99 K HA 0.438 4.770 4.320 0.018 0.000 0.276 99 K C -0.182 176.355 176.600 -0.105 0.000 1.013 99 K CA -0.669 55.615 56.287 -0.006 0.000 0.913 99 K CB 1.429 33.915 32.500 -0.023 0.000 1.055 99 K HN 0.651 nan 8.250 nan 0.000 0.461 100 K N 0.156 120.462 120.400 -0.158 0.000 2.508 100 K HA -0.126 4.205 4.320 0.018 0.000 0.273 100 K C 0.966 177.494 176.600 -0.121 0.000 0.964 100 K CA 1.572 57.775 56.287 -0.141 0.000 0.948 100 K CB 0.299 32.709 32.500 -0.151 0.000 0.917 100 K HN 0.939 nan 8.250 nan 0.000 0.512 101 G N 0.689 109.427 108.800 -0.103 0.000 2.259 101 G HA2 -0.189 3.782 3.960 0.018 0.000 0.217 101 G HA3 -0.189 3.782 3.960 0.018 0.000 0.217 101 G C 0.329 175.195 174.900 -0.056 0.000 1.001 101 G CA -0.130 44.927 45.100 -0.072 0.000 0.627 101 G HN 0.894 nan 8.290 nan 0.000 0.501 102 G N -0.739 108.003 108.800 -0.097 0.000 2.601 102 G HA2 0.610 4.581 3.960 0.018 0.000 0.317 102 G HA3 0.610 4.581 3.960 0.018 0.000 0.317 102 G C -0.227 174.576 174.900 -0.162 0.000 1.246 102 G CA 0.451 45.505 45.100 -0.077 0.000 1.012 102 G HN 0.969 nan 8.290 nan 0.000 0.494 103 S N -0.011 115.628 115.700 -0.102 0.000 2.564 103 S HA 0.343 4.824 4.470 0.018 0.000 0.141 103 S C -1.188 173.428 174.600 0.026 0.000 1.474 103 S CA -0.541 57.608 58.200 -0.085 0.000 1.236 103 S CB -0.204 62.990 63.200 -0.011 0.000 1.481 103 S HN 0.665 nan 8.310 nan 0.000 0.397 104 F N -0.051 119.897 119.950 -0.004 0.000 2.556 104 F HA 0.826 5.364 4.527 0.019 0.000 0.314 104 F C -0.260 175.540 175.800 0.001 0.000 1.106 104 F CA -0.952 57.046 58.000 -0.004 0.000 0.911 104 F CB 0.934 39.931 39.000 -0.005 0.000 1.190 104 F HN -0.002 nan 8.300 nan 0.000 0.448 105 Q N 1.861 121.759 119.800 0.164 0.000 2.364 105 Q HA 0.346 4.697 4.340 0.018 0.000 0.204 105 Q C 0.733 176.826 176.000 0.154 0.000 1.002 105 Q CA -0.804 55.054 55.803 0.092 0.000 1.012 105 Q CB 1.475 30.248 28.738 0.059 0.000 1.188 105 Q HN 0.973 nan 8.270 nan 0.000 0.522 106 L N 1.187 122.478 121.223 0.113 0.000 2.478 106 L HA -0.061 4.290 4.340 0.018 0.000 0.223 106 L C 1.175 178.043 176.870 -0.002 0.000 1.140 106 L CA 1.562 56.475 54.840 0.122 0.000 0.842 106 L CB -0.490 41.651 42.059 0.138 0.000 0.953 106 L HN 0.684 nan 8.230 nan 0.000 0.452 107 N N -1.979 116.691 118.700 -0.051 0.000 2.353 107 N HA -0.030 4.721 4.740 0.018 0.000 0.185 107 N C 0.306 175.599 175.510 -0.361 0.000 1.098 107 N CA 0.109 52.985 53.050 -0.290 0.000 0.872 107 N CB 0.034 38.558 38.487 0.060 0.000 0.970 107 N HN 0.404 nan 8.380 nan 0.000 0.467 108 E N 0.739 120.858 120.200 -0.134 0.000 3.269 108 E HA 0.222 4.583 4.350 0.018 0.000 0.221 108 E C 0.197 176.747 176.600 -0.083 0.000 1.113 108 E CA -0.153 56.203 56.400 -0.074 0.000 1.385 108 E CB 0.528 30.253 29.700 0.042 0.000 1.345 108 E HN 0.393 nan 8.360 nan 0.000 0.435 109 L N -0.024 121.141 121.223 -0.097 0.000 2.590 109 L HA 0.139 4.491 4.340 0.018 0.000 0.227 109 L C 1.165 177.803 176.870 -0.386 0.000 1.099 109 L CA -0.051 54.750 54.840 -0.065 0.000 0.872 109 L CB 0.159 42.391 42.059 0.288 0.000 1.088 109 L HN 0.284 nan 8.230 nan 0.000 0.479 110 Q N 1.139 120.474 119.800 -0.776 0.000 2.304 110 Q HA 0.030 4.382 4.340 0.018 0.000 0.315 110 Q C 1.277 176.876 176.000 -0.669 0.000 1.075 110 Q CA 1.253 56.224 55.803 -1.387 0.000 0.988 110 Q CB 0.367 28.654 28.738 -0.752 0.000 1.146 110 Q HN 0.396 nan 8.270 nan 0.000 0.383 111 G N 2.582 111.042 108.800 -0.566 0.000 2.189 111 G HA2 -0.290 3.681 3.960 0.018 0.000 0.267 111 G HA3 -0.290 3.681 3.960 0.018 0.000 0.267 111 G C -0.204 174.631 174.900 -0.108 0.000 0.975 111 G CA 0.311 45.271 45.100 -0.233 0.000 0.644 111 G HN 0.502 nan 8.290 nan 0.000 0.537 112 L N -0.078 121.099 121.223 -0.076 0.000 2.490 112 L HA 0.705 5.056 4.340 0.018 0.000 0.245 112 L C 0.854 177.788 176.870 0.107 0.000 1.185 112 L CA 0.026 54.833 54.840 -0.056 0.000 0.813 112 L CB 0.563 42.495 42.059 -0.211 0.000 1.233 112 L HN 0.182 nan 8.230 nan 0.000 0.489 113 K N -0.590 119.808 120.400 -0.004 0.000 2.207 113 K HA 0.605 4.936 4.320 0.018 0.000 0.255 113 K C -0.994 175.527 176.600 -0.132 0.000 0.941 113 K CA -0.475 55.806 56.287 -0.010 0.000 0.825 113 K CB 1.669 34.169 32.500 -0.001 0.000 1.119 113 K HN 0.663 nan 8.250 nan 0.000 0.430 114 S N 0.261 115.812 115.700 -0.248 0.000 2.542 114 S HA 0.567 5.048 4.470 0.018 0.000 0.293 114 S C -0.656 173.970 174.600 0.043 0.000 1.089 114 S CA -0.889 57.154 58.200 -0.262 0.000 0.961 114 S CB 1.018 63.772 63.200 -0.742 0.000 1.062 114 S HN 0.571 nan 8.310 nan 0.000 0.483 115 c N 3.275 121.894 118.600 0.032 0.000 2.322 115 c HA 0.660 5.241 4.570 0.018 0.000 0.324 115 c C 0.058 174.320 174.090 0.286 0.000 1.284 115 c CA -0.531 55.894 56.329 0.160 0.000 1.606 115 c CB -0.727 41.752 42.510 -0.052 0.000 2.251 115 c HN 0.925 nan 8.230 nan 0.000 0.502 116 H N 0.681 119.862 119.070 0.185 0.000 2.731 116 H HA 0.293 4.860 4.556 0.019 0.000 0.368 116 H C 0.833 176.265 175.328 0.173 0.000 1.168 116 H CA -0.245 55.965 56.048 0.270 0.000 1.181 116 H CB 1.967 31.945 29.762 0.359 0.000 1.743 116 H HN 0.666 nan 8.280 nan 0.000 0.547 117 T N -0.628 114.071 114.554 0.242 0.000 2.985 117 T HA 0.230 4.591 4.350 0.018 0.000 0.266 117 T C 0.953 175.658 174.700 0.007 0.000 1.076 117 T CA 0.557 62.650 62.100 -0.012 0.000 1.135 117 T CB 0.231 68.977 68.868 -0.202 0.000 0.890 117 T HN 0.825 nan 8.240 nan 0.000 0.480 118 G N 0.340 109.296 108.800 0.260 0.000 2.340 118 G HA2 0.406 4.377 3.960 0.018 0.000 0.300 118 G HA3 0.406 4.377 3.960 0.018 0.000 0.300 118 G C -1.827 173.349 174.900 0.459 0.000 1.488 118 G CA -0.920 44.429 45.100 0.414 0.000 0.878 118 G HN 0.367 nan 8.290 nan 0.000 0.618 119 L N 0.548 121.976 121.223 0.342 0.000 2.453 119 L HA 0.601 4.952 4.340 0.018 0.000 0.272 119 L C 1.588 178.436 176.870 -0.037 0.000 1.182 119 L CA 0.979 55.688 54.840 -0.218 0.000 0.858 119 L CB 0.233 42.082 42.059 -0.350 0.000 1.120 119 L HN 0.889 nan 8.230 nan 0.000 0.474 120 R N 0.863 121.223 120.500 -0.234 0.000 3.954 120 R HA -0.183 4.168 4.340 0.018 0.000 0.422 120 R C -0.198 176.223 176.300 0.202 0.000 1.091 120 R CA 1.278 57.388 56.100 0.017 0.000 1.168 120 R CB -1.181 28.940 30.300 -0.298 0.000 1.752 120 R HN 0.633 nan 8.270 nan 0.000 0.547 121 R N -0.270 120.483 120.500 0.422 0.000 2.459 121 R HA 0.237 4.588 4.340 0.018 0.000 0.281 121 R C 1.103 177.646 176.300 0.405 0.000 1.050 121 R CA 0.107 56.472 56.100 0.442 0.000 1.055 121 R CB 0.738 31.286 30.300 0.413 0.000 1.045 121 R HN 0.023 nan 8.270 nan 0.000 0.495 122 T N 1.747 116.542 114.554 0.401 0.000 2.544 122 T HA -0.267 4.094 4.350 0.018 0.000 0.264 122 T C 1.750 176.594 174.700 0.240 0.000 1.096 122 T CA 2.166 64.465 62.100 0.331 0.000 1.181 122 T CB -0.174 68.844 68.868 0.250 0.000 0.864 122 T HN 0.766 nan 8.240 nan 0.000 0.415 123 A N 0.716 123.731 122.820 0.326 0.000 1.970 123 A HA 0.332 4.663 4.320 0.018 0.000 0.216 123 A C 2.494 180.233 177.584 0.259 0.000 1.170 123 A CA 1.443 53.656 52.037 0.293 0.000 0.645 123 A CB -0.855 18.423 19.000 0.463 0.000 0.816 123 A HN 0.539 nan 8.150 nan 0.000 0.447 124 G N -2.646 106.326 108.800 0.288 0.000 2.603 124 G HA2 0.030 4.002 3.960 0.018 0.000 0.214 124 G HA3 0.030 4.002 3.960 0.018 0.000 0.214 124 G C 1.211 176.357 174.900 0.410 0.000 1.140 124 G CA 0.682 45.969 45.100 0.312 0.000 0.800 124 G HN 0.571 nan 8.290 nan 0.000 0.533 125 W N 0.129 121.519 121.300 0.150 0.000 4.409 125 W HA 0.065 4.736 4.660 0.018 0.000 0.188 125 W C 1.615 178.156 176.519 0.036 0.000 2.080 125 W CA 0.179 57.592 57.345 0.113 0.000 2.369 125 W CB -0.277 29.262 29.460 0.131 0.000 1.412 125 W HN 0.047 nan 8.180 nan 0.000 0.720 126 N N 1.325 120.121 118.700 0.161 0.000 2.049 126 N HA -0.213 4.538 4.740 0.018 0.000 0.198 126 N C 1.518 177.006 175.510 -0.037 0.000 1.030 126 N CA 2.565 55.652 53.050 0.063 0.000 0.870 126 N CB -1.086 37.576 38.487 0.291 0.000 1.045 126 N HN 0.022 nan 8.380 nan 0.000 0.434 127 V N 2.290 122.210 119.914 0.009 0.000 2.244 127 V HA -0.125 4.006 4.120 0.018 0.000 0.244 127 V C -0.571 175.428 176.094 -0.158 0.000 1.042 127 V CA 1.845 64.121 62.300 -0.041 0.000 1.006 127 V CB -1.508 30.302 31.823 -0.022 0.000 0.641 127 V HN 0.308 nan 8.190 nan 0.000 0.446 128 P HA -0.140 nan 4.420 nan 0.000 0.216 128 P C 1.773 178.795 177.300 -0.464 0.000 1.153 128 P CA 1.602 64.384 63.100 -0.529 0.000 0.848 128 P CB -0.069 30.854 31.700 -1.296 0.000 0.787 129 I N 0.277 120.515 120.570 -0.553 0.000 2.202 129 I HA -0.087 4.094 4.170 0.018 0.000 0.242 129 I C 2.762 178.663 176.117 -0.359 0.000 1.091 129 I CA 1.759 62.718 61.300 -0.569 0.000 1.368 129 I CB -2.390 35.032 38.000 -0.964 0.000 1.058 129 I HN 0.016 nan 8.210 nan 0.000 0.410 130 G N 0.471 109.105 108.800 -0.277 0.000 2.422 130 G HA2 -0.212 3.759 3.960 0.018 0.000 0.218 130 G HA3 -0.212 3.759 3.960 0.018 0.000 0.218 130 G C 1.643 176.473 174.900 -0.117 0.000 1.146 130 G CA 1.338 46.341 45.100 -0.160 0.000 0.769 130 G HN 0.363 nan 8.290 nan 0.000 0.547 131 T N 1.148 115.641 114.554 -0.101 0.000 2.867 131 T HA 0.023 4.384 4.350 0.018 0.000 0.268 131 T C 2.278 176.981 174.700 0.006 0.000 1.057 131 T CA 0.645 62.726 62.100 -0.032 0.000 1.136 131 T CB -0.079 68.789 68.868 0.000 0.000 0.874 131 T HN 0.164 nan 8.240 nan 0.000 0.466 132 L N 0.083 121.279 121.223 -0.044 0.000 2.375 132 L HA 0.184 4.535 4.340 0.018 0.000 0.215 132 L C 2.752 179.551 176.870 -0.119 0.000 1.108 132 L CA 0.208 55.053 54.840 0.008 0.000 0.830 132 L CB -0.390 41.557 42.059 -0.185 0.000 0.959 132 L HN 0.108 nan 8.230 nan 0.000 0.457 133 R N 0.850 121.247 120.500 -0.170 0.000 2.190 133 R HA -0.249 4.103 4.340 0.018 0.000 0.255 133 R C -0.385 175.806 176.300 -0.182 0.000 1.143 133 R CA 2.332 58.341 56.100 -0.152 0.000 0.965 133 R CB -1.384 28.861 30.300 -0.091 0.000 0.889 133 R HN 0.259 nan 8.270 nan 0.000 0.448 134 P HA -0.157 nan 4.420 nan 0.000 0.216 134 P C 0.694 177.691 177.300 -0.505 0.000 1.150 134 P CA 1.483 64.308 63.100 -0.457 0.000 0.843 134 P CB -0.110 31.150 31.700 -0.733 0.000 0.787 135 F N -1.832 118.033 119.950 -0.143 0.000 2.615 135 F HA 0.062 4.600 4.527 0.018 0.000 0.297 135 F C 1.866 177.551 175.800 -0.192 0.000 1.124 135 F CA 0.641 58.553 58.000 -0.147 0.000 1.451 135 F CB -1.018 37.841 39.000 -0.234 0.000 1.103 135 F HN -0.162 nan 8.300 nan 0.000 0.569 136 L N -0.283 120.870 121.223 -0.116 0.000 2.591 136 L HA 0.042 4.393 4.340 0.018 0.000 0.228 136 L C 0.490 177.420 176.870 0.100 0.000 1.133 136 L CA 0.215 55.022 54.840 -0.056 0.000 0.880 136 L CB -0.818 41.188 42.059 -0.088 0.000 1.033 136 L HN 0.231 nan 8.230 nan 0.000 0.450 137 N N -0.198 118.556 118.700 0.090 0.000 2.710 137 N HA -0.246 4.505 4.740 0.018 0.000 0.249 137 N C -0.257 175.351 175.510 0.164 0.000 1.059 137 N CA 0.537 53.646 53.050 0.099 0.000 0.720 137 N CB -0.690 37.862 38.487 0.108 0.000 0.983 137 N HN 0.431 nan 8.380 nan 0.000 0.544 138 W N 0.678 121.960 121.300 -0.030 0.000 2.251 138 W HA 0.209 4.880 4.660 0.018 0.000 0.329 138 W C 1.336 177.847 176.519 -0.014 0.000 1.234 138 W CA 0.038 57.373 57.345 -0.015 0.000 1.228 138 W CB 0.638 30.081 29.460 -0.029 0.000 1.135 138 W HN -0.122 nan 8.180 nan 0.000 0.576 139 T N 4.077 118.387 114.554 -0.407 0.000 3.081 139 T HA 0.303 4.664 4.350 0.018 0.000 0.255 139 T C 0.563 174.798 174.700 -0.775 0.000 1.113 139 T CA 1.370 63.208 62.100 -0.437 0.000 1.082 139 T CB -0.760 67.998 68.868 -0.183 0.000 0.939 139 T HN 0.984 nan 8.240 nan 0.000 0.506 140 G N 2.072 109.829 108.800 -1.737 0.000 2.710 140 G HA2 -0.092 3.879 3.960 0.018 0.000 0.668 140 G HA3 -0.092 3.879 3.960 0.018 0.000 0.668 140 G C -3.021 171.397 174.900 -0.803 0.000 1.320 140 G CA -1.004 43.079 45.100 -1.695 0.000 0.860 140 G HN 0.121 nan 8.290 nan 0.000 0.538 141 P HA 0.235 nan 4.420 nan 0.000 0.271 141 P C -1.503 175.775 177.300 -0.036 0.000 1.233 141 P CA -0.516 62.597 63.100 0.022 0.000 0.789 141 P CB 0.199 31.941 31.700 0.070 0.000 0.951 142 P HA -0.020 nan 4.420 nan 0.000 0.237 142 P C 0.369 177.779 177.300 0.184 0.000 1.178 142 P CA 0.604 63.764 63.100 0.100 0.000 0.766 142 P CB 0.110 31.852 31.700 0.068 0.000 0.876 143 E N 2.302 122.633 120.200 0.219 0.000 2.351 143 E HA 0.128 4.489 4.350 0.018 0.000 0.266 143 E C -2.143 174.786 176.600 0.549 0.000 1.031 143 E CA -2.098 54.509 56.400 0.344 0.000 0.911 143 E CB 0.249 30.166 29.700 0.361 0.000 0.986 143 E HN 0.100 nan 8.360 nan 0.000 0.446 144 P HA -0.059 nan 4.420 nan 0.000 0.269 144 P C 0.331 177.584 177.300 -0.079 0.000 1.209 144 P CA -0.234 62.980 63.100 0.189 0.000 0.776 144 P CB 0.517 32.327 31.700 0.182 0.000 0.876 145 I N 2.530 122.810 120.570 -0.483 0.000 2.614 145 I HA -0.168 4.013 4.170 0.018 0.000 0.258 145 I C 1.577 177.404 176.117 -0.483 0.000 1.189 145 I CA 1.412 62.063 61.300 -1.081 0.000 1.462 145 I CB -0.946 36.319 38.000 -1.226 0.000 1.092 145 I HN 0.301 nan 8.210 nan 0.000 0.442 146 E N 0.741 120.743 120.200 -0.329 0.000 2.097 146 E HA -0.211 4.150 4.350 0.018 0.000 0.196 146 E C 2.326 178.788 176.600 -0.230 0.000 1.000 146 E CA 1.717 57.875 56.400 -0.403 0.000 0.804 146 E CB -0.524 28.452 29.700 -1.206 0.000 0.740 146 E HN 0.574 nan 8.360 nan 0.000 0.454 147 A N 0.793 123.594 122.820 -0.032 0.000 1.902 147 A HA -0.128 4.203 4.320 0.018 0.000 0.217 147 A C 2.348 180.032 177.584 0.166 0.000 1.181 147 A CA 1.905 54.103 52.037 0.269 0.000 0.623 147 A CB -0.800 18.417 19.000 0.361 0.000 0.818 147 A HN 0.302 nan 8.150 nan 0.000 0.443 148 A N -0.726 122.123 122.820 0.048 0.000 1.930 148 A HA 0.053 4.385 4.320 0.018 0.000 0.217 148 A C 2.317 179.945 177.584 0.072 0.000 1.175 148 A CA 1.679 53.759 52.037 0.073 0.000 0.627 148 A CB -0.923 18.080 19.000 0.005 0.000 0.815 148 A HN 1.015 nan 8.150 nan 0.000 0.443 149 V N -0.528 119.407 119.914 0.035 0.000 2.591 149 V HA 0.016 4.148 4.120 0.018 0.000 0.249 149 V C 2.491 178.756 176.094 0.285 0.000 1.053 149 V CA 1.952 64.334 62.300 0.138 0.000 1.068 149 V CB -0.601 31.273 31.823 0.086 0.000 0.689 149 V HN 0.540 nan 8.190 nan 0.000 0.462 150 A N 0.911 123.878 122.820 0.246 0.000 2.019 150 A HA -0.161 4.170 4.320 0.018 0.000 0.219 150 A C 2.257 179.975 177.584 0.223 0.000 1.164 150 A CA 1.791 53.987 52.037 0.264 0.000 0.644 150 A CB -0.461 18.712 19.000 0.288 0.000 0.805 150 A HN 0.693 nan 8.150 nan 0.000 0.449 151 R N -2.491 118.128 120.500 0.200 0.000 2.246 151 R HA 0.143 4.494 4.340 0.018 0.000 0.199 151 R C 1.728 178.109 176.300 0.134 0.000 0.984 151 R CA 0.583 56.776 56.100 0.155 0.000 1.015 151 R CB -0.323 30.064 30.300 0.146 0.000 0.930 151 R HN 0.476 nan 8.270 nan 0.000 0.475 152 F N 1.600 121.533 119.950 -0.030 0.000 2.039 152 F HA -0.008 4.530 4.527 0.019 0.000 0.294 152 F C 0.606 176.280 175.800 -0.211 0.000 1.130 152 F CA 0.892 58.766 58.000 -0.210 0.000 1.189 152 F CB -0.144 38.586 39.000 -0.450 0.000 0.983 152 F HN -0.273 nan 8.300 nan 0.000 0.471 153 F N 0.071 120.092 119.950 0.118 0.000 2.370 153 F HA 0.217 4.755 4.527 0.018 0.000 0.324 153 F C 1.771 177.576 175.800 0.008 0.000 1.116 153 F CA -0.056 57.947 58.000 0.004 0.000 1.123 153 F CB 0.505 39.591 39.000 0.145 0.000 1.238 153 F HN -0.085 nan 8.300 nan 0.000 0.536 154 S N 0.462 116.269 115.700 0.179 0.000 2.383 154 S HA 0.335 4.816 4.470 0.018 0.000 0.227 154 S C 0.579 175.257 174.600 0.130 0.000 1.026 154 S CA 0.535 58.796 58.200 0.102 0.000 0.981 154 S CB -0.257 62.969 63.200 0.043 0.000 0.818 154 S HN 0.814 nan 8.310 nan 0.000 0.472 155 A N -0.325 122.587 122.820 0.154 0.000 2.612 155 A HA 0.780 5.111 4.320 0.018 0.000 0.293 155 A C -0.686 176.966 177.584 0.112 0.000 1.075 155 A CA -0.629 51.488 52.037 0.133 0.000 0.680 155 A CB 1.373 20.430 19.000 0.094 0.000 1.279 155 A HN 0.251 nan 8.150 nan 0.000 0.411 156 S N -1.255 114.505 115.700 0.100 0.000 2.656 156 S HA 0.641 5.122 4.470 0.018 0.000 0.273 156 S C -1.392 173.261 174.600 0.088 0.000 1.168 156 S CA -0.337 57.897 58.200 0.057 0.000 0.817 156 S CB 1.502 64.701 63.200 -0.002 0.000 1.146 156 S HN 1.690 nan 8.310 nan 0.000 0.475 157 c N 2.486 121.151 118.600 0.108 0.000 2.321 157 c HA 0.782 5.363 4.570 0.018 0.000 0.323 157 c C -1.021 173.144 174.090 0.126 0.000 1.191 157 c CA -0.145 56.277 56.329 0.154 0.000 1.455 157 c CB -1.196 41.465 42.510 0.252 0.000 2.083 157 c HN 0.591 nan 8.230 nan 0.000 0.442 158 V N 8.034 127.991 119.914 0.072 0.000 2.383 158 V HA 0.307 4.438 4.120 0.018 0.000 0.264 158 V C -2.268 173.881 176.094 0.091 0.000 1.001 158 V CA -1.274 61.052 62.300 0.044 0.000 0.828 158 V CB 0.827 32.582 31.823 -0.112 0.000 1.069 158 V HN 0.702 nan 8.190 nan 0.000 0.451 159 P HA 0.178 nan 4.420 nan 0.000 0.260 159 P C 1.163 178.645 177.300 0.302 0.000 1.172 159 P CA 1.828 65.060 63.100 0.220 0.000 0.760 159 P CB 0.552 32.428 31.700 0.292 0.000 0.773 160 G N 1.842 110.770 108.800 0.213 0.000 2.195 160 G HA2 -0.119 3.852 3.960 0.018 0.000 0.224 160 G HA3 -0.119 3.852 3.960 0.018 0.000 0.224 160 G C 0.479 175.381 174.900 0.004 0.000 0.990 160 G CA -0.033 45.156 45.100 0.148 0.000 0.639 160 G HN 0.817 nan 8.290 nan 0.000 0.514 161 A N 0.103 122.918 122.820 -0.008 0.000 2.366 161 A HA 0.479 4.810 4.320 0.018 0.000 0.250 161 A C 0.379 178.006 177.584 0.072 0.000 1.099 161 A CA 0.661 52.666 52.037 -0.052 0.000 0.794 161 A CB 0.219 19.179 19.000 -0.067 0.000 1.056 161 A HN 0.365 nan 8.150 nan 0.000 0.499 162 D N 0.169 120.698 120.400 0.214 0.000 2.393 162 D HA 0.108 4.759 4.640 0.018 0.000 0.232 162 D C 1.022 177.431 176.300 0.183 0.000 1.192 162 D CA -0.015 54.114 54.000 0.215 0.000 0.882 162 D CB 0.620 41.581 40.800 0.269 0.000 1.038 162 D HN 0.560 nan 8.370 nan 0.000 0.499 163 K N 2.437 122.895 120.400 0.096 0.000 2.089 163 K HA -0.201 4.130 4.320 0.018 0.000 0.210 163 K C 1.740 178.352 176.600 0.019 0.000 1.048 163 K CA 1.480 57.806 56.287 0.065 0.000 0.926 163 K CB -0.143 32.379 32.500 0.038 0.000 0.714 163 K HN 0.569 nan 8.250 nan 0.000 0.448 164 G N 0.827 109.619 108.800 -0.014 0.000 2.838 164 G HA2 -0.338 3.633 3.960 0.018 0.000 0.215 164 G HA3 -0.338 3.633 3.960 0.018 0.000 0.215 164 G C 1.258 176.060 174.900 -0.163 0.000 1.327 164 G CA 1.129 46.188 45.100 -0.068 0.000 0.802 164 G HN 0.429 nan 8.290 nan 0.000 0.658 165 Q N -0.643 118.953 119.800 -0.340 0.000 2.245 165 Q HA 0.087 4.438 4.340 0.018 0.000 0.201 165 Q C 0.464 175.908 176.000 -0.927 0.000 0.955 165 Q CA 0.572 55.920 55.803 -0.758 0.000 0.870 165 Q CB 0.203 28.125 28.738 -1.360 0.000 0.945 165 Q HN 0.591 nan 8.270 nan 0.000 0.461 166 F N -0.254 119.711 119.950 0.025 0.000 2.597 166 F HA 0.302 4.840 4.527 0.019 0.000 0.336 166 F C -1.858 173.966 175.800 0.039 0.000 1.432 166 F CA -2.229 55.794 58.000 0.038 0.000 1.120 166 F CB 0.647 39.669 39.000 0.037 0.000 1.253 166 F HN -0.086 nan 8.300 nan 0.000 0.546 167 P HA -0.254 nan 4.420 nan 0.000 0.216 167 P C 1.418 178.788 177.300 0.117 0.000 1.154 167 P CA 1.548 64.700 63.100 0.086 0.000 0.865 167 P CB 0.413 32.141 31.700 0.047 0.000 0.789 168 N N -0.277 118.507 118.700 0.141 0.000 2.137 168 N HA -0.130 4.621 4.740 0.018 0.000 0.190 168 N C 1.737 177.341 175.510 0.156 0.000 1.017 168 N CA 0.973 54.112 53.050 0.149 0.000 0.859 168 N CB -0.931 37.656 38.487 0.168 0.000 1.002 168 N HN 0.126 nan 8.380 nan 0.000 0.428 169 L N -1.109 120.219 121.223 0.175 0.000 2.456 169 L HA -0.082 4.269 4.340 0.018 0.000 0.224 169 L C 1.271 178.199 176.870 0.097 0.000 1.148 169 L CA 0.467 55.386 54.840 0.132 0.000 0.825 169 L CB -0.117 42.016 42.059 0.124 0.000 0.937 169 L HN 0.325 nan 8.230 nan 0.000 0.450 170 c N -2.016 116.649 118.600 0.109 0.000 3.403 170 c HA 0.121 4.702 4.570 0.018 0.000 0.317 170 c C 2.562 176.706 174.090 0.090 0.000 1.346 170 c CA -0.634 55.751 56.329 0.094 0.000 1.743 170 c CB -0.051 42.509 42.510 0.084 0.000 2.308 170 c HN 0.403 nan 8.230 nan 0.000 0.675 171 R N 1.505 122.060 120.500 0.092 0.000 2.196 171 R HA -0.210 4.141 4.340 0.018 0.000 0.234 171 R C 1.537 177.893 176.300 0.092 0.000 1.113 171 R CA 1.696 57.846 56.100 0.083 0.000 0.899 171 R CB -0.809 29.541 30.300 0.084 0.000 0.863 171 R HN 0.486 nan 8.270 nan 0.000 0.430 172 L N 0.823 122.117 121.223 0.117 0.000 2.633 172 L HA -0.022 4.329 4.340 0.018 0.000 0.235 172 L C 0.811 177.821 176.870 0.234 0.000 1.163 172 L CA -0.285 54.656 54.840 0.167 0.000 0.859 172 L CB -0.549 41.607 42.059 0.162 0.000 0.973 172 L HN 0.230 nan 8.230 nan 0.000 0.451 173 c N 0.615 119.311 118.600 0.159 0.000 2.652 173 c HA 0.312 4.893 4.570 0.018 0.000 0.412 173 c C 1.879 175.923 174.090 -0.077 0.000 1.294 173 c CA -0.052 56.346 56.329 0.115 0.000 2.127 173 c CB 0.915 43.481 42.510 0.094 0.000 2.691 173 c HN 0.572 nan 8.230 nan 0.000 0.615 174 A N 2.243 124.847 122.820 -0.361 0.000 2.195 174 A HA 0.384 4.715 4.320 0.018 0.000 0.210 174 A C 1.285 178.714 177.584 -0.259 0.000 1.165 174 A CA 0.639 52.399 52.037 -0.462 0.000 0.806 174 A CB -0.555 17.785 19.000 -1.100 0.000 0.847 174 A HN 1.058 nan 8.150 nan 0.000 0.482 175 G N -0.707 107.988 108.800 -0.174 0.000 2.559 175 G HA2 0.360 4.331 3.960 0.018 0.000 0.235 175 G HA3 0.360 4.331 3.960 0.018 0.000 0.235 175 G C -0.248 174.604 174.900 -0.080 0.000 1.266 175 G CA 0.326 45.362 45.100 -0.106 0.000 0.847 175 G HN 0.089 nan 8.290 nan 0.000 0.583 176 T N 1.074 115.590 114.554 -0.063 0.000 2.874 176 T HA 0.599 4.961 4.350 0.018 0.000 0.321 176 T C 0.759 175.439 174.700 -0.034 0.000 1.075 176 T CA 1.118 63.191 62.100 -0.046 0.000 0.966 176 T CB 0.187 69.029 68.868 -0.045 0.000 1.001 176 T HN 1.766 nan 8.240 nan 0.000 0.476 177 G N 3.627 112.411 108.800 -0.027 0.000 2.501 177 G HA2 -0.141 3.830 3.960 0.018 0.000 0.213 177 G HA3 -0.141 3.830 3.960 0.018 0.000 0.213 177 G C 0.433 175.322 174.900 -0.019 0.000 1.158 177 G CA -0.310 44.778 45.100 -0.021 0.000 1.079 177 G HN 0.529 nan 8.290 nan 0.000 0.586 178 E N 0.953 121.142 120.200 -0.018 0.000 2.481 178 E HA 0.013 4.374 4.350 0.018 0.000 0.195 178 E C 1.950 178.537 176.600 -0.020 0.000 1.047 178 E CA 0.319 56.710 56.400 -0.016 0.000 0.867 178 E CB -0.050 29.642 29.700 -0.013 0.000 0.858 178 E HN 0.330 nan 8.360 nan 0.000 0.513 179 N N 1.439 120.122 118.700 -0.028 0.000 2.244 179 N HA -0.080 4.671 4.740 0.018 0.000 0.183 179 N C 0.559 176.047 175.510 -0.037 0.000 1.016 179 N CA 0.561 53.588 53.050 -0.039 0.000 0.866 179 N CB -0.050 38.410 38.487 -0.045 0.000 0.980 179 N HN 0.029 nan 8.380 nan 0.000 0.430 180 K N 0.767 121.149 120.400 -0.030 0.000 2.473 180 K HA -0.127 4.204 4.320 0.018 0.000 0.277 180 K C 0.369 176.967 176.600 -0.003 0.000 1.052 180 K CA 0.386 56.659 56.287 -0.023 0.000 1.114 180 K CB 0.001 32.493 32.500 -0.013 0.000 0.869 180 K HN 0.387 nan 8.250 nan 0.000 0.481 181 c N 2.619 121.224 118.600 0.008 0.000 4.331 181 c HA -0.230 4.351 4.570 0.018 0.000 0.293 181 c C 0.574 174.684 174.090 0.034 0.000 1.436 181 c CA 0.350 56.704 56.329 0.042 0.000 1.993 181 c CB -2.293 40.251 42.510 0.056 0.000 1.266 181 c HN 0.836 nan 8.230 nan 0.000 0.795 182 A N -0.183 122.630 122.820 -0.012 0.000 2.313 182 A HA 0.592 4.923 4.320 0.018 0.000 0.261 182 A C -0.220 177.305 177.584 -0.099 0.000 1.090 182 A CA 0.060 52.076 52.037 -0.035 0.000 0.807 182 A CB 0.074 19.026 19.000 -0.080 0.000 1.055 182 A HN 1.190 nan 8.150 nan 0.000 0.492 183 F N 2.134 121.911 119.950 -0.289 0.000 2.560 183 F HA 0.426 4.964 4.527 0.018 0.000 0.338 183 F C 0.681 175.914 175.800 -0.946 0.000 1.201 183 F CA 0.842 58.533 58.000 -0.516 0.000 1.291 183 F CB -0.275 38.592 39.000 -0.223 0.000 1.627 183 F HN 0.707 nan 8.300 nan 0.000 0.588 184 S N -1.055 113.834 115.700 -1.352 0.000 2.669 184 S HA 0.200 4.681 4.470 0.018 0.000 0.266 184 S C 0.436 174.628 174.600 -0.680 0.000 1.149 184 S CA -0.330 57.251 58.200 -1.032 0.000 0.842 184 S CB 0.780 63.748 63.200 -0.386 0.000 1.160 184 S HN 0.017 nan 8.310 nan 0.000 0.487 185 S N 0.541 116.106 115.700 -0.225 0.000 2.481 185 S HA -0.052 4.429 4.470 0.018 0.000 0.231 185 S C 1.567 176.150 174.600 -0.029 0.000 0.996 185 S CA 0.618 58.819 58.200 0.001 0.000 0.942 185 S CB -0.422 62.806 63.200 0.047 0.000 0.768 185 S HN 0.574 nan 8.310 nan 0.000 0.520 186 Q N 0.964 120.714 119.800 -0.082 0.000 2.297 186 Q HA 0.018 4.369 4.340 0.018 0.000 0.208 186 Q C 0.592 176.555 176.000 -0.062 0.000 0.981 186 Q CA 1.003 56.768 55.803 -0.063 0.000 0.876 186 Q CB -0.214 28.482 28.738 -0.070 0.000 0.921 186 Q HN 0.544 nan 8.270 nan 0.000 0.446 187 E N 0.934 121.091 120.200 -0.072 0.000 2.081 187 E HA 0.108 4.469 4.350 0.018 0.000 0.276 187 E C -1.871 174.760 176.600 0.052 0.000 0.950 187 E CA -2.361 54.019 56.400 -0.034 0.000 0.776 187 E CB 1.192 30.876 29.700 -0.026 0.000 1.094 187 E HN -0.101 nan 8.360 nan 0.000 0.402 188 P HA -0.141 nan 4.420 nan 0.000 0.222 188 P C 0.134 177.575 177.300 0.235 0.000 1.147 188 P CA 0.933 64.054 63.100 0.035 0.000 0.790 188 P CB 0.185 31.820 31.700 -0.110 0.000 0.780 189 Y N -1.566 118.781 120.300 0.077 0.000 2.571 189 Y HA 0.290 4.851 4.550 0.019 0.000 0.275 189 Y C 0.794 176.758 175.900 0.108 0.000 1.179 189 Y CA -2.228 55.917 58.100 0.074 0.000 1.242 189 Y CB -1.051 37.448 38.460 0.064 0.000 1.126 189 Y HN -0.139 nan 8.280 nan 0.000 0.524 190 F N 0.499 120.501 119.950 0.086 0.000 2.399 190 F HA 0.466 5.005 4.527 0.019 0.000 0.342 190 F C 1.043 176.798 175.800 -0.076 0.000 1.106 190 F CA 0.138 58.105 58.000 -0.055 0.000 1.196 190 F CB 0.718 39.629 39.000 -0.149 0.000 1.163 190 F HN 0.034 nan 8.300 nan 0.000 0.547 191 S N 3.431 118.525 115.700 -1.010 0.000 3.633 191 S HA -0.302 4.179 4.470 0.018 0.000 0.637 191 S C 0.701 175.054 174.600 -0.411 0.000 2.289 191 S CA 0.593 58.220 58.200 -0.955 0.000 2.476 191 S CB -1.182 61.404 63.200 -1.023 0.000 0.330 191 S HN 0.781 nan 8.310 nan 0.000 1.787 192 Y N 0.907 121.092 120.300 -0.192 0.000 2.114 192 Y HA -0.072 4.490 4.550 0.019 0.000 0.284 192 Y C 3.002 178.885 175.900 -0.027 0.000 1.143 192 Y CA 1.815 59.858 58.100 -0.094 0.000 1.135 192 Y CB -1.032 37.353 38.460 -0.124 0.000 0.980 192 Y HN 0.474 nan 8.280 nan 0.000 0.499 193 S N -0.262 115.520 115.700 0.137 0.000 2.371 193 S HA -0.105 4.376 4.470 0.018 0.000 0.224 193 S C 2.402 177.060 174.600 0.097 0.000 1.029 193 S CA 1.009 59.289 58.200 0.134 0.000 0.978 193 S CB -0.962 62.297 63.200 0.098 0.000 0.833 193 S HN 0.642 nan 8.310 nan 0.000 0.466 194 G N 1.643 110.484 108.800 0.069 0.000 2.459 194 G HA2 -0.123 3.848 3.960 0.018 0.000 0.217 194 G HA3 -0.123 3.848 3.960 0.018 0.000 0.217 194 G C 1.611 176.539 174.900 0.046 0.000 1.183 194 G CA 0.975 46.152 45.100 0.129 0.000 0.776 194 G HN 0.567 nan 8.290 nan 0.000 0.552 195 A N 0.308 123.148 122.820 0.033 0.000 1.917 195 A HA -0.068 4.263 4.320 0.018 0.000 0.219 195 A C 2.211 179.796 177.584 0.003 0.000 1.182 195 A CA 1.898 53.941 52.037 0.010 0.000 0.633 195 A CB -0.610 18.431 19.000 0.068 0.000 0.819 195 A HN 0.409 nan 8.150 nan 0.000 0.448 196 F N 0.825 120.699 119.950 -0.127 0.000 2.186 196 F HA -0.082 4.457 4.527 0.019 0.000 0.299 196 F C 2.123 177.808 175.800 -0.193 0.000 1.090 196 F CA 1.784 59.678 58.000 -0.176 0.000 1.307 196 F CB -0.424 38.475 39.000 -0.168 0.000 1.019 196 F HN 0.334 nan 8.300 nan 0.000 0.489 197 K N -0.229 119.979 120.400 -0.320 0.000 2.057 197 K HA -0.208 4.123 4.320 0.018 0.000 0.206 197 K C 2.519 178.834 176.600 -0.475 0.000 1.050 197 K CA 1.615 57.684 56.287 -0.363 0.000 0.935 197 K CB -1.009 31.427 32.500 -0.108 0.000 0.715 197 K HN 0.399 nan 8.250 nan 0.000 0.439 198 c N 1.145 119.282 118.600 -0.771 0.000 2.403 198 c HA -0.140 4.441 4.570 0.018 0.000 0.277 198 c C 2.526 176.341 174.090 -0.458 0.000 1.248 198 c CA 1.054 56.737 56.329 -1.077 0.000 1.762 198 c CB -1.057 40.765 42.510 -1.146 0.000 2.014 198 c HN 0.696 nan 8.230 nan 0.000 0.486 199 L N 1.298 122.342 121.223 -0.297 0.000 1.988 199 L HA -0.023 4.328 4.340 0.018 0.000 0.207 199 L C 2.622 179.422 176.870 -0.117 0.000 1.071 199 L CA 2.166 56.923 54.840 -0.138 0.000 0.744 199 L CB -0.971 41.074 42.059 -0.024 0.000 0.893 199 L HN 0.276 nan 8.230 nan 0.000 0.433 200 K N -0.183 120.061 120.400 -0.259 0.000 2.015 200 K HA -0.225 4.107 4.320 0.018 0.000 0.216 200 K C 1.690 178.228 176.600 -0.103 0.000 1.052 200 K CA 2.037 58.206 56.287 -0.198 0.000 0.937 200 K CB -0.438 31.827 32.500 -0.392 0.000 0.719 200 K HN 0.401 nan 8.250 nan 0.000 0.446 201 D N -0.878 119.453 120.400 -0.116 0.000 2.354 201 D HA -0.087 4.564 4.640 0.018 0.000 0.216 201 D C 1.090 177.382 176.300 -0.013 0.000 0.970 201 D CA 1.384 55.366 54.000 -0.030 0.000 0.905 201 D CB -0.128 40.705 40.800 0.055 0.000 0.903 201 D HN 0.548 nan 8.370 nan 0.000 0.508 202 G N -0.111 108.669 108.800 -0.033 0.000 2.143 202 G HA2 -0.309 3.662 3.960 0.018 0.000 0.249 202 G HA3 -0.309 3.662 3.960 0.018 0.000 0.249 202 G C 1.165 176.064 174.900 -0.002 0.000 0.981 202 G CA 0.683 45.779 45.100 -0.006 0.000 0.665 202 G HN 0.550 nan 8.290 nan 0.000 0.528 203 A N -0.590 122.217 122.820 -0.022 0.000 1.970 203 A HA 0.594 4.925 4.320 0.018 0.000 0.216 203 A C 1.654 179.231 177.584 -0.013 0.000 1.170 203 A CA 2.126 54.169 52.037 0.011 0.000 0.645 203 A CB -0.020 19.022 19.000 0.070 0.000 0.816 203 A HN 1.908 nan 8.150 nan 0.000 0.447 204 G N -2.072 106.694 108.800 -0.058 0.000 2.569 204 G HA2 0.464 4.436 3.960 0.018 0.000 0.300 204 G HA3 0.464 4.436 3.960 0.018 0.000 0.300 204 G C -0.637 174.242 174.900 -0.034 0.000 1.269 204 G CA -0.140 44.928 45.100 -0.052 0.000 0.959 204 G HN -0.026 nan 8.290 nan 0.000 0.478 205 D N -1.109 119.274 120.400 -0.029 0.000 2.346 205 D HA 0.076 4.727 4.640 0.018 0.000 0.206 205 D C 0.432 176.789 176.300 0.096 0.000 1.001 205 D CA 0.738 54.768 54.000 0.050 0.000 0.871 205 D CB 1.485 42.257 40.800 -0.047 0.000 0.943 205 D HN 0.162 nan 8.370 nan 0.000 0.518 206 V N -0.067 119.799 119.914 -0.081 0.000 2.932 206 V HA 0.676 4.807 4.120 0.018 0.000 0.307 206 V C -1.811 174.027 176.094 -0.427 0.000 1.147 206 V CA -0.789 61.373 62.300 -0.230 0.000 0.951 206 V CB 2.060 33.681 31.823 -0.337 0.000 1.031 206 V HN 0.008 nan 8.190 nan 0.000 0.426 207 A N 5.523 128.097 122.820 -0.410 0.000 2.331 207 A HA 0.886 5.217 4.320 0.018 0.000 0.320 207 A C -1.332 176.003 177.584 -0.415 0.000 1.138 207 A CA -0.358 51.484 52.037 -0.326 0.000 0.790 207 A CB 0.991 19.945 19.000 -0.075 0.000 1.206 207 A HN 0.771 nan 8.150 nan 0.000 0.470 208 F N 3.621 123.514 119.950 -0.095 0.000 2.291 208 F HA 0.505 5.043 4.527 0.018 0.000 0.368 208 F C 0.501 176.326 175.800 0.042 0.000 1.085 208 F CA -0.631 57.331 58.000 -0.063 0.000 1.165 208 F CB 0.363 39.236 39.000 -0.213 0.000 1.429 208 F HN 0.590 nan 8.300 nan 0.000 0.503 209 I N -0.339 120.368 120.570 0.229 0.000 3.631 209 I HA 0.709 4.890 4.170 0.018 0.000 0.294 209 I C -0.644 175.586 176.117 0.187 0.000 1.154 209 I CA -1.768 59.700 61.300 0.280 0.000 1.092 209 I CB 2.026 40.105 38.000 0.133 0.000 1.367 209 I HN 0.268 nan 8.210 nan 0.000 0.470 210 R N 0.596 121.095 120.500 -0.000 0.000 2.596 210 R HA 0.320 4.671 4.340 0.018 0.000 0.267 210 R C 0.741 176.886 176.300 -0.259 0.000 1.026 210 R CA -0.295 55.700 56.100 -0.174 0.000 1.087 210 R CB 0.838 30.788 30.300 -0.584 0.000 1.132 210 R HN 0.719 nan 8.270 nan 0.000 0.531 211 E N 1.226 121.271 120.200 -0.259 0.000 2.265 211 E HA -0.168 4.193 4.350 0.018 0.000 0.196 211 E C 0.829 177.166 176.600 -0.438 0.000 0.996 211 E CA 1.849 57.985 56.400 -0.439 0.000 0.832 211 E CB -0.219 28.931 29.700 -0.915 0.000 0.756 211 E HN 0.710 nan 8.360 nan 0.000 0.491 212 S N -0.146 115.304 115.700 -0.417 0.000 2.458 212 S HA -0.004 4.477 4.470 0.018 0.000 0.223 212 S C 1.938 176.415 174.600 -0.205 0.000 1.019 212 S CA 0.673 58.710 58.200 -0.272 0.000 0.937 212 S CB -0.435 62.538 63.200 -0.379 0.000 0.788 212 S HN 0.208 nan 8.310 nan 0.000 0.511 213 T N 2.844 117.189 114.554 -0.350 0.000 2.592 213 T HA -0.165 4.196 4.350 0.018 0.000 0.267 213 T C 1.796 176.230 174.700 -0.444 0.000 1.060 213 T CA 1.761 63.647 62.100 -0.357 0.000 1.167 213 T CB -1.012 67.614 68.868 -0.404 0.000 0.863 213 T HN 0.270 nan 8.240 nan 0.000 0.431 214 V N 0.491 119.993 119.914 -0.688 0.000 2.392 214 V HA -0.156 3.975 4.120 0.018 0.000 0.249 214 V C 2.014 177.757 176.094 -0.585 0.000 1.059 214 V CA 1.772 63.547 62.300 -0.875 0.000 1.051 214 V CB -0.664 30.565 31.823 -0.990 0.000 0.658 214 V HN 0.514 nan 8.190 nan 0.000 0.455 215 F N 0.421 120.232 119.950 -0.232 0.000 2.234 215 F HA 0.025 4.564 4.527 0.021 0.000 0.296 215 F C 2.377 178.114 175.800 -0.106 0.000 1.089 215 F CA 1.416 59.337 58.000 -0.131 0.000 1.343 215 F CB -0.504 38.426 39.000 -0.117 0.000 1.040 215 F HN 0.192 nan 8.300 nan 0.000 0.498 216 E N 0.202 120.414 120.200 0.020 0.000 2.106 216 E HA -0.166 4.196 4.350 0.018 0.000 0.192 216 E C 1.073 177.683 176.600 0.017 0.000 0.984 216 E CA 1.433 57.832 56.400 -0.002 0.000 0.806 216 E CB -0.147 29.521 29.700 -0.053 0.000 0.750 216 E HN 0.376 nan 8.360 nan 0.000 0.458 217 D N -0.354 120.061 120.400 0.025 0.000 2.366 217 D HA 0.083 4.734 4.640 0.018 0.000 0.205 217 D C 0.153 176.512 176.300 0.098 0.000 1.022 217 D CA 0.333 54.388 54.000 0.092 0.000 0.868 217 D CB 0.539 41.455 40.800 0.192 0.000 0.953 217 D HN 0.065 nan 8.370 nan 0.000 0.514 218 L N 1.900 123.161 121.223 0.064 0.000 2.313 218 L HA 0.180 4.531 4.340 0.018 0.000 0.273 218 L C 1.448 178.344 176.870 0.043 0.000 1.028 218 L CA -0.372 54.506 54.840 0.063 0.000 0.871 218 L CB 1.483 43.588 42.059 0.076 0.000 1.242 218 L HN -0.094 nan 8.230 nan 0.000 0.434 219 S N 1.312 117.041 115.700 0.048 0.000 2.392 219 S HA -0.211 4.270 4.470 0.018 0.000 0.225 219 S C 0.732 175.362 174.600 0.050 0.000 1.041 219 S CA 0.918 59.146 58.200 0.046 0.000 1.100 219 S CB -0.257 62.965 63.200 0.036 0.000 1.029 219 S HN 0.692 nan 8.310 nan 0.000 0.424 220 D N 2.200 122.626 120.400 0.044 0.000 2.390 220 D HA 0.085 4.736 4.640 0.018 0.000 0.249 220 D C 1.238 177.566 176.300 0.046 0.000 1.144 220 D CA -0.131 53.894 54.000 0.041 0.000 0.880 220 D CB 0.810 41.629 40.800 0.032 0.000 1.182 220 D HN 0.443 nan 8.370 nan 0.000 0.451 221 E N 3.027 123.257 120.200 0.050 0.000 2.153 221 E HA -0.183 4.178 4.350 0.018 0.000 0.194 221 E C 1.508 178.134 176.600 0.043 0.000 0.988 221 E CA 1.122 57.558 56.400 0.060 0.000 0.811 221 E CB -0.270 29.467 29.700 0.061 0.000 0.746 221 E HN 0.549 nan 8.360 nan 0.000 0.466 222 A N 2.148 124.987 122.820 0.031 0.000 2.067 222 A HA -0.147 4.184 4.320 0.018 0.000 0.217 222 A C 2.074 179.667 177.584 0.014 0.000 1.156 222 A CA 0.877 52.924 52.037 0.017 0.000 0.683 222 A CB -0.317 18.690 19.000 0.010 0.000 0.808 222 A HN 0.348 nan 8.150 nan 0.000 0.455 223 E N 0.259 120.480 120.200 0.035 0.000 2.107 223 E HA -0.175 4.186 4.350 0.018 0.000 0.191 223 E C 1.937 178.614 176.600 0.128 0.000 0.982 223 E CA 0.860 57.298 56.400 0.063 0.000 0.809 223 E CB -0.355 29.398 29.700 0.088 0.000 0.756 223 E HN 0.562 nan 8.360 nan 0.000 0.459 224 R N 0.987 121.556 120.500 0.114 0.000 2.120 224 R HA -0.107 4.244 4.340 0.018 0.000 0.234 224 R C 1.574 177.939 176.300 0.108 0.000 1.123 224 R CA 1.584 57.755 56.100 0.119 0.000 0.975 224 R CB -0.182 30.064 30.300 -0.090 0.000 0.866 224 R HN 0.157 nan 8.270 nan 0.000 0.446 225 D N 0.588 121.003 120.400 0.026 0.000 2.263 225 D HA -0.129 4.522 4.640 0.018 0.000 0.208 225 D C 1.070 177.314 176.300 -0.093 0.000 0.971 225 D CA 1.028 55.017 54.000 -0.018 0.000 0.867 225 D CB 0.079 40.866 40.800 -0.021 0.000 0.929 225 D HN 0.297 nan 8.370 nan 0.000 0.492 226 E N -1.188 118.895 120.200 -0.196 0.000 2.511 226 E HA -0.032 4.329 4.350 0.018 0.000 0.196 226 E C -0.364 175.846 176.600 -0.649 0.000 1.066 226 E CA 0.215 56.346 56.400 -0.448 0.000 0.871 226 E CB 0.243 29.589 29.700 -0.590 0.000 0.863 226 E HN 0.371 nan 8.360 nan 0.000 0.520 227 Y N 0.213 120.490 120.300 -0.039 0.000 2.487 227 Y HA 0.447 5.008 4.550 0.018 0.000 0.337 227 Y C 0.271 176.129 175.900 -0.070 0.000 1.076 227 Y CA -0.968 57.102 58.100 -0.049 0.000 1.115 227 Y CB 1.493 39.925 38.460 -0.045 0.000 1.235 227 Y HN -0.213 nan 8.280 nan 0.000 0.468 228 E N 1.172 121.428 120.200 0.094 0.000 2.446 228 E HA 0.623 4.985 4.350 0.018 0.000 0.276 228 E C -1.634 174.969 176.600 0.005 0.000 0.969 228 E CA -0.980 55.428 56.400 0.014 0.000 0.800 228 E CB 2.764 32.438 29.700 -0.044 0.000 1.341 228 E HN 0.388 nan 8.360 nan 0.000 0.460 229 L N 1.576 122.795 121.223 -0.006 0.000 2.334 229 L HA 0.490 4.841 4.340 0.018 0.000 0.273 229 L C -0.768 176.097 176.870 -0.008 0.000 1.013 229 L CA -0.932 53.910 54.840 0.003 0.000 0.816 229 L CB 1.155 43.236 42.059 0.036 0.000 1.278 229 L HN 0.315 nan 8.230 nan 0.000 0.431 230 L N 2.326 123.555 121.223 0.009 0.000 2.255 230 L HA 0.349 4.700 4.340 0.018 0.000 0.289 230 L C -0.478 176.422 176.870 0.049 0.000 1.046 230 L CA -0.454 54.400 54.840 0.024 0.000 0.816 230 L CB 1.040 43.139 42.059 0.066 0.000 1.197 230 L HN 0.659 nan 8.230 nan 0.000 0.427 231 c N 3.888 122.503 118.600 0.025 0.000 2.398 231 c HA 0.283 4.864 4.570 0.018 0.000 0.364 231 c C -0.756 173.351 174.090 0.028 0.000 1.219 231 c CA -1.126 55.211 56.329 0.014 0.000 2.312 231 c CB 0.817 43.319 42.510 -0.013 0.000 2.428 231 c HN 0.599 nan 8.230 nan 0.000 0.564 232 P HA -0.086 nan 4.420 nan 0.000 0.223 232 P C 0.521 177.844 177.300 0.038 0.000 1.144 232 P CA 1.452 64.572 63.100 0.034 0.000 0.783 232 P CB -0.132 31.572 31.700 0.006 0.000 0.771 233 D N -1.630 118.781 120.400 0.019 0.000 2.587 233 D HA 0.002 4.653 4.640 0.018 0.000 0.233 233 D C -0.212 176.105 176.300 0.028 0.000 1.213 233 D CA -0.760 53.253 54.000 0.022 0.000 0.827 233 D CB -1.271 39.531 40.800 0.002 0.000 1.006 233 D HN -0.119 nan 8.370 nan 0.000 0.490 234 N N 0.744 119.470 118.700 0.042 0.000 2.705 234 N HA -0.169 4.582 4.740 0.018 0.000 0.255 234 N C -0.578 174.943 175.510 0.018 0.000 1.008 234 N CA 1.537 54.612 53.050 0.041 0.000 0.742 234 N CB -1.679 36.842 38.487 0.058 0.000 0.906 234 N HN 0.711 nan 8.380 nan 0.000 0.541 235 T N -2.626 111.931 114.554 0.006 0.000 2.900 235 T HA 0.668 5.029 4.350 0.018 0.000 0.295 235 T C 0.058 174.746 174.700 -0.021 0.000 1.044 235 T CA -0.939 61.155 62.100 -0.011 0.000 0.995 235 T CB 2.383 71.243 68.868 -0.013 0.000 1.072 235 T HN 0.177 nan 8.240 nan 0.000 0.473 236 R N 1.334 121.811 120.500 -0.038 0.000 2.486 236 R HA 0.808 5.159 4.340 0.018 0.000 0.286 236 R C -0.759 175.521 176.300 -0.034 0.000 0.999 236 R CA -0.949 55.122 56.100 -0.049 0.000 0.993 236 R CB 1.197 31.445 30.300 -0.087 0.000 1.084 236 R HN 0.513 nan 8.270 nan 0.000 0.487 237 K N 1.190 121.575 120.400 -0.025 0.000 2.533 237 K HA 0.405 4.736 4.320 0.018 0.000 0.272 237 K C -2.793 173.806 176.600 -0.001 0.000 0.985 237 K CA -2.078 54.199 56.287 -0.016 0.000 0.876 237 K CB 1.906 34.398 32.500 -0.014 0.000 1.452 237 K HN 0.223 nan 8.250 nan 0.000 0.439 238 P HA -0.065 nan 4.420 nan 0.000 0.269 238 P C 0.758 178.097 177.300 0.065 0.000 1.215 238 P CA -0.410 62.706 63.100 0.027 0.000 0.780 238 P CB 0.508 32.224 31.700 0.026 0.000 0.898 239 V N -0.512 119.450 119.914 0.080 0.000 2.688 239 V HA -0.206 3.926 4.120 0.018 0.000 0.256 239 V C 1.158 177.472 176.094 0.367 0.000 1.084 239 V CA 2.257 64.629 62.300 0.120 0.000 1.103 239 V CB -1.332 30.449 31.823 -0.071 0.000 0.688 239 V HN 0.542 nan 8.190 nan 0.000 0.480 240 D N -0.708 119.893 120.400 0.335 0.000 2.350 240 D HA -0.001 4.650 4.640 0.018 0.000 0.213 240 D C 1.346 177.589 176.300 -0.095 0.000 1.031 240 D CA 0.157 54.364 54.000 0.345 0.000 0.861 240 D CB -0.201 40.792 40.800 0.322 0.000 0.926 240 D HN 0.362 nan 8.370 nan 0.000 0.520 241 K N 0.667 121.035 120.400 -0.054 0.000 2.627 241 K HA 0.169 4.500 4.320 0.018 0.000 0.212 241 K C 0.943 177.440 176.600 -0.172 0.000 1.041 241 K CA -0.433 55.751 56.287 -0.172 0.000 1.205 241 K CB -1.189 31.270 32.500 -0.068 0.000 0.936 241 K HN 0.305 nan 8.250 nan 0.000 0.489 242 F N 0.034 119.945 119.950 -0.066 0.000 2.095 242 F HA -0.187 4.350 4.527 0.018 0.000 0.298 242 F C 1.556 177.264 175.800 -0.154 0.000 1.104 242 F CA 0.842 58.778 58.000 -0.106 0.000 1.232 242 F CB -0.498 38.419 39.000 -0.139 0.000 0.987 242 F HN -0.154 nan 8.300 nan 0.000 0.475 243 K N 0.691 120.830 120.400 -0.434 0.000 2.148 243 K HA -0.223 4.108 4.320 0.018 0.000 0.213 243 K C 1.106 177.715 176.600 0.014 0.000 1.050 243 K CA 2.046 58.151 56.287 -0.302 0.000 0.932 243 K CB -0.858 31.408 32.500 -0.389 0.000 0.717 243 K HN 0.527 nan 8.250 nan 0.000 0.462 244 D N -1.801 118.557 120.400 -0.071 0.000 2.395 244 D HA 0.036 4.688 4.640 0.018 0.000 0.213 244 D C -0.110 176.129 176.300 -0.101 0.000 1.110 244 D CA 0.048 54.004 54.000 -0.073 0.000 0.835 244 D CB 0.158 40.909 40.800 -0.082 0.000 0.965 244 D HN 0.037 nan 8.370 nan 0.000 0.505 245 c N 2.758 121.310 118.600 -0.080 0.000 3.280 245 c HA 0.195 4.776 4.570 0.018 0.000 0.334 245 c C -1.115 172.993 174.090 0.030 0.000 0.977 245 c CA -0.480 55.808 56.329 -0.068 0.000 1.264 245 c CB -0.795 41.712 42.510 -0.006 0.000 1.688 245 c HN 0.440 nan 8.230 nan 0.000 0.592 246 H N 2.118 121.238 119.070 0.084 0.000 3.016 246 H HA 0.446 5.013 4.556 0.018 0.000 0.362 246 H C -0.324 175.078 175.328 0.124 0.000 1.233 246 H CA -0.885 55.245 56.048 0.136 0.000 1.124 246 H CB 0.976 30.876 29.762 0.231 0.000 1.850 246 H HN 0.337 nan 8.280 nan 0.000 0.549 247 L N 0.312 121.694 121.223 0.265 0.000 2.529 247 L HA 0.483 4.834 4.340 0.018 0.000 0.223 247 L C 0.692 177.679 176.870 0.195 0.000 1.113 247 L CA 0.707 55.645 54.840 0.162 0.000 0.861 247 L CB 0.165 42.306 42.059 0.137 0.000 1.012 247 L HN 0.778 nan 8.230 nan 0.000 0.461 248 A N 0.116 123.135 122.820 0.330 0.000 2.571 248 A HA 0.452 4.783 4.320 0.018 0.000 0.296 248 A C -1.290 176.316 177.584 0.037 0.000 1.005 248 A CA -0.673 51.471 52.037 0.179 0.000 0.682 248 A CB 1.107 20.109 19.000 0.004 0.000 1.292 248 A HN 0.031 nan 8.150 nan 0.000 0.420 249 R N 1.178 121.594 120.500 -0.140 0.000 2.265 249 R HA 0.613 4.964 4.340 0.018 0.000 0.328 249 R C -0.843 175.199 176.300 -0.430 0.000 0.969 249 R CA -0.138 55.689 56.100 -0.456 0.000 0.832 249 R CB 0.976 30.968 30.300 -0.514 0.000 1.139 249 R HN 1.258 nan 8.270 nan 0.000 0.457 250 V N 1.926 121.506 119.914 -0.558 0.000 2.864 250 V HA 0.694 4.825 4.120 0.018 0.000 0.314 250 V C -2.543 173.302 176.094 -0.414 0.000 1.073 250 V CA -2.764 59.193 62.300 -0.570 0.000 0.956 250 V CB 1.780 33.105 31.823 -0.830 0.000 1.023 250 V HN 0.636 nan 8.190 nan 0.000 0.435 251 P HA 0.159 nan 4.420 nan 0.000 0.269 251 P C 0.106 177.578 177.300 0.287 0.000 1.209 251 P CA 0.318 63.416 63.100 -0.005 0.000 0.776 251 P CB 0.853 32.506 31.700 -0.077 0.000 0.876 252 S N 2.314 118.276 115.700 0.437 0.000 2.579 252 S HA 0.099 4.580 4.470 0.018 0.000 0.275 252 S C 0.318 175.376 174.600 0.764 0.000 1.345 252 S CA -0.316 58.292 58.200 0.680 0.000 1.031 252 S CB -0.387 62.997 63.200 0.306 0.000 0.892 252 S HN 0.458 nan 8.310 nan 0.000 0.529 253 H N 0.657 120.115 119.070 0.646 0.000 2.895 253 H HA 0.446 5.013 4.556 0.019 0.000 0.371 253 H C 0.515 176.102 175.328 0.431 0.000 1.219 253 H CA 0.153 56.508 56.048 0.512 0.000 1.431 253 H CB 0.383 30.421 29.762 0.459 0.000 1.414 253 H HN 0.954 nan 8.280 nan 0.000 0.617 254 A N 1.118 124.211 122.820 0.456 0.000 2.587 254 A HA 0.435 4.766 4.320 0.018 0.000 0.293 254 A C -1.034 176.716 177.584 0.277 0.000 1.087 254 A CA -0.736 51.489 52.037 0.313 0.000 0.692 254 A CB 1.174 20.162 19.000 -0.021 0.000 1.291 254 A HN 0.412 nan 8.150 nan 0.000 0.407 255 V N 1.773 121.862 119.914 0.292 0.000 2.488 255 V HA 0.442 4.574 4.120 0.018 0.000 0.277 255 V C 0.544 176.670 176.094 0.054 0.000 1.046 255 V CA -0.064 62.372 62.300 0.226 0.000 0.986 255 V CB 0.727 32.739 31.823 0.315 0.000 0.989 255 V HN 1.014 nan 8.190 nan 0.000 0.475 256 V N 2.423 122.322 119.914 -0.025 0.000 2.975 256 V HA 1.091 5.222 4.120 0.018 0.000 0.318 256 V C 0.047 176.083 176.094 -0.097 0.000 1.077 256 V CA -0.285 61.978 62.300 -0.062 0.000 1.000 256 V CB 1.519 33.310 31.823 -0.053 0.000 1.066 256 V HN 1.164 nan 8.190 nan 0.000 0.452 257 A N 1.639 124.410 122.820 -0.082 0.000 2.515 257 A HA 0.783 5.114 4.320 0.018 0.000 0.299 257 A C -0.510 177.037 177.584 -0.061 0.000 1.179 257 A CA -1.159 50.825 52.037 -0.088 0.000 0.656 257 A CB 1.093 20.048 19.000 -0.076 0.000 1.306 257 A HN 0.859 nan 8.150 nan 0.000 0.459 258 R N 0.078 120.547 120.500 -0.051 0.000 2.490 258 R HA 0.401 4.752 4.340 0.018 0.000 0.280 258 R C 0.862 177.143 176.300 -0.031 0.000 1.077 258 R CA 0.288 56.368 56.100 -0.032 0.000 1.065 258 R CB 0.925 31.209 30.300 -0.027 0.000 1.003 258 R HN 0.715 nan 8.270 nan 0.000 0.470 259 S N 0.849 116.534 115.700 -0.026 0.000 2.357 259 S HA -0.119 4.362 4.470 0.018 0.000 0.221 259 S C 1.640 176.224 174.600 -0.026 0.000 1.031 259 S CA 0.850 59.033 58.200 -0.029 0.000 0.982 259 S CB 0.075 63.259 63.200 -0.026 0.000 0.853 259 S HN 0.501 nan 8.310 nan 0.000 0.458 260 V N 1.353 121.254 119.914 -0.021 0.000 2.256 260 V HA 0.097 4.228 4.120 0.018 0.000 0.240 260 V C 0.390 176.473 176.094 -0.018 0.000 1.036 260 V CA 1.489 63.777 62.300 -0.020 0.000 1.008 260 V CB -0.216 31.597 31.823 -0.017 0.000 0.648 260 V HN 0.420 nan 8.190 nan 0.000 0.453 261 N N -0.845 117.845 118.700 -0.016 0.000 2.696 261 N HA 0.328 5.079 4.740 0.018 0.000 0.308 261 N C 0.977 176.477 175.510 -0.016 0.000 1.915 261 N CA 0.496 53.538 53.050 -0.014 0.000 0.906 261 N CB 0.877 39.357 38.487 -0.012 0.000 1.284 261 N HN 0.401 nan 8.380 nan 0.000 0.488 262 G N 0.644 109.433 108.800 -0.019 0.000 2.485 262 G HA2 -0.261 3.710 3.960 0.018 0.000 0.221 262 G HA3 -0.261 3.710 3.960 0.018 0.000 0.221 262 G C 0.619 175.508 174.900 -0.018 0.000 1.115 262 G CA 0.602 45.688 45.100 -0.024 0.000 0.751 262 G HN 0.480 nan 8.290 nan 0.000 0.567 263 K N -1.015 119.381 120.400 -0.006 0.000 3.218 263 K HA -0.186 4.145 4.320 0.018 0.000 0.276 263 K C 1.080 177.697 176.600 0.028 0.000 1.173 263 K CA 0.650 56.942 56.287 0.008 0.000 0.812 263 K CB -1.175 31.328 32.500 0.003 0.000 1.275 263 K HN 0.411 nan 8.250 nan 0.000 0.504 264 E N 1.020 121.234 120.200 0.025 0.000 2.130 264 E HA -0.207 4.154 4.350 0.018 0.000 0.196 264 E C 1.368 178.027 176.600 0.098 0.000 0.998 264 E CA 1.941 58.369 56.400 0.047 0.000 0.806 264 E CB 0.083 29.791 29.700 0.013 0.000 0.738 264 E HN 0.423 nan 8.360 nan 0.000 0.459 265 D N 0.127 120.581 120.400 0.089 0.000 2.149 265 D HA -0.115 4.536 4.640 0.018 0.000 0.201 265 D C 1.953 178.340 176.300 0.145 0.000 0.972 265 D CA 1.069 55.152 54.000 0.138 0.000 0.835 265 D CB -0.272 40.588 40.800 0.100 0.000 0.966 265 D HN 0.208 nan 8.370 nan 0.000 0.476 266 A N 1.812 124.690 122.820 0.095 0.000 1.873 266 A HA -0.199 4.132 4.320 0.018 0.000 0.218 266 A C 2.415 180.062 177.584 0.105 0.000 1.193 266 A CA 1.220 53.304 52.037 0.078 0.000 0.629 266 A CB -0.949 18.082 19.000 0.052 0.000 0.826 266 A HN 0.161 nan 8.150 nan 0.000 0.447 267 I N -1.910 118.739 120.570 0.132 0.000 2.127 267 I HA -0.301 3.880 4.170 0.018 0.000 0.241 267 I C 2.582 178.814 176.117 0.192 0.000 1.075 267 I CA 1.798 63.206 61.300 0.179 0.000 1.334 267 I CB -0.379 37.707 38.000 0.143 0.000 1.040 267 I HN 0.744 nan 8.210 nan 0.000 0.405 268 W N 2.149 123.476 121.300 0.044 0.000 2.388 268 W HA -0.222 4.449 4.660 0.017 0.000 0.294 268 W C 2.359 178.906 176.519 0.045 0.000 1.212 268 W CA 1.726 59.090 57.345 0.032 0.000 1.271 268 W CB -0.347 29.130 29.460 0.027 0.000 1.126 268 W HN 0.239 nan 8.180 nan 0.000 0.535 269 N N 1.617 120.337 118.700 0.033 0.000 2.043 269 N HA -0.245 4.506 4.740 0.018 0.000 0.193 269 N C 1.926 177.371 175.510 -0.108 0.000 1.037 269 N CA 2.392 55.415 53.050 -0.045 0.000 0.851 269 N CB -1.093 37.417 38.487 0.039 0.000 1.027 269 N HN 0.199 nan 8.380 nan 0.000 0.422 270 L N 0.613 121.820 121.223 -0.027 0.000 1.989 270 L HA -0.064 4.287 4.340 0.018 0.000 0.211 270 L C 2.179 179.047 176.870 -0.002 0.000 1.071 270 L CA 1.602 56.452 54.840 0.016 0.000 0.749 270 L CB -0.865 41.243 42.059 0.082 0.000 0.890 270 L HN 0.296 nan 8.230 nan 0.000 0.431 271 L N -0.598 120.553 121.223 -0.120 0.000 2.042 271 L HA -0.219 4.132 4.340 0.018 0.000 0.210 271 L C 2.880 179.551 176.870 -0.331 0.000 1.076 271 L CA 1.656 56.309 54.840 -0.311 0.000 0.749 271 L CB -0.709 40.967 42.059 -0.638 0.000 0.893 271 L HN 0.367 nan 8.230 nan 0.000 0.432 272 R N -0.020 120.128 120.500 -0.587 0.000 2.091 272 R HA -0.196 4.155 4.340 0.018 0.000 0.238 272 R C 2.279 178.441 176.300 -0.229 0.000 1.136 272 R CA 1.675 57.448 56.100 -0.544 0.000 0.959 272 R CB -0.075 29.754 30.300 -0.784 0.000 0.856 272 R HN 0.496 nan 8.270 nan 0.000 0.437 273 Q N -0.321 119.381 119.800 -0.164 0.000 2.020 273 Q HA -0.050 4.301 4.340 0.018 0.000 0.198 273 Q C 2.212 178.160 176.000 -0.086 0.000 0.974 273 Q CA 1.276 57.020 55.803 -0.097 0.000 0.829 273 Q CB -0.303 28.405 28.738 -0.049 0.000 0.894 273 Q HN 0.379 nan 8.270 nan 0.000 0.433 274 A N 1.693 124.538 122.820 0.042 0.000 1.917 274 A HA -0.298 4.033 4.320 0.018 0.000 0.219 274 A C 2.129 179.711 177.584 -0.004 0.000 1.182 274 A CA 2.011 54.162 52.037 0.191 0.000 0.633 274 A CB -0.777 18.444 19.000 0.367 0.000 0.819 274 A HN 0.444 nan 8.150 nan 0.000 0.448 275 Q N -0.729 119.060 119.800 -0.018 0.000 2.084 275 Q HA -0.247 4.104 4.340 0.018 0.000 0.202 275 Q C 2.122 178.085 176.000 -0.061 0.000 0.978 275 Q CA 1.907 57.710 55.803 0.001 0.000 0.844 275 Q CB -0.165 28.644 28.738 0.117 0.000 0.898 275 Q HN 0.819 nan 8.270 nan 0.000 0.426 276 E N 0.117 120.254 120.200 -0.105 0.000 2.017 276 E HA -0.223 4.138 4.350 0.018 0.000 0.193 276 E C 1.937 178.409 176.600 -0.214 0.000 0.997 276 E CA 1.474 57.797 56.400 -0.128 0.000 0.804 276 E CB 0.147 29.776 29.700 -0.118 0.000 0.757 276 E HN 0.196 nan 8.360 nan 0.000 0.448 277 K N -0.816 119.342 120.400 -0.402 0.000 2.057 277 K HA -0.086 4.245 4.320 0.018 0.000 0.206 277 K C 0.932 177.065 176.600 -0.778 0.000 1.050 277 K CA 1.206 57.049 56.287 -0.740 0.000 0.935 277 K CB 0.109 31.844 32.500 -1.275 0.000 0.715 277 K HN 0.128 nan 8.250 nan 0.000 0.439 278 F N -0.464 119.468 119.950 -0.029 0.000 2.791 278 F HA 0.341 4.880 4.527 0.019 0.000 0.316 278 F C 0.810 176.467 175.800 -0.237 0.000 1.134 278 F CA -1.022 56.911 58.000 -0.111 0.000 1.222 278 F CB 0.150 39.091 39.000 -0.098 0.000 1.034 278 F HN -0.145 nan 8.300 nan 0.000 0.516 279 G N -0.207 108.560 108.800 -0.056 0.000 2.580 279 G HA2 0.186 4.157 3.960 0.018 0.000 0.278 279 G HA3 0.186 4.157 3.960 0.018 0.000 0.278 279 G C 0.007 174.938 174.900 0.052 0.000 1.212 279 G CA -0.633 44.475 45.100 0.014 0.000 0.939 279 G HN -0.033 nan 8.290 nan 0.000 0.513 280 K N 1.005 121.482 120.400 0.127 0.000 2.344 280 K HA -0.174 4.157 4.320 0.018 0.000 0.240 280 K C 0.331 176.939 176.600 0.012 0.000 1.136 280 K CA 0.818 57.133 56.287 0.048 0.000 1.178 280 K CB -0.561 31.940 32.500 0.003 0.000 0.718 280 K HN 0.746 nan 8.250 nan 0.000 0.513 281 D N 3.350 123.754 120.400 0.006 0.000 3.060 281 D HA -0.220 4.431 4.640 0.018 0.000 0.209 281 D C 0.248 176.550 176.300 0.004 0.000 1.232 281 D CA 1.185 55.187 54.000 0.004 0.000 0.841 281 D CB -0.015 40.785 40.800 0.000 0.000 0.863 281 D HN 0.605 nan 8.370 nan 0.000 0.389 282 K N -0.344 120.062 120.400 0.011 0.000 2.574 282 K HA 0.133 4.464 4.320 0.018 0.000 0.215 282 K C -0.118 176.511 176.600 0.049 0.000 1.485 282 K CA -0.215 56.076 56.287 0.007 0.000 1.006 282 K CB 1.014 33.496 32.500 -0.030 0.000 1.254 282 K HN 0.029 nan 8.250 nan 0.000 0.580 283 S N 1.303 117.060 115.700 0.096 0.000 2.605 283 S HA 0.175 4.656 4.470 0.018 0.000 0.279 283 S C -2.582 172.088 174.600 0.117 0.000 1.166 283 S CA -0.781 57.514 58.200 0.158 0.000 0.975 283 S CB 1.979 65.397 63.200 0.362 0.000 1.111 283 S HN -0.071 nan 8.310 nan 0.000 0.465 284 P HA 0.075 nan 4.420 nan 0.000 0.240 284 P C 0.685 178.039 177.300 0.089 0.000 1.190 284 P CA 0.406 63.547 63.100 0.068 0.000 0.781 284 P CB 0.221 31.952 31.700 0.051 0.000 0.931 285 K N -1.040 119.436 120.400 0.126 0.000 2.002 285 K HA -0.013 4.318 4.320 0.018 0.000 0.209 285 K C 0.605 177.309 176.600 0.173 0.000 1.048 285 K CA 1.051 57.416 56.287 0.130 0.000 0.930 285 K CB -0.183 32.398 32.500 0.135 0.000 0.714 285 K HN 0.171 nan 8.250 nan 0.000 0.438 286 F N 0.601 120.529 119.950 -0.037 0.000 2.628 286 F HA 0.274 4.812 4.527 0.019 0.000 0.309 286 F C -1.898 173.861 175.800 -0.067 0.000 1.108 286 F CA -0.937 56.989 58.000 -0.123 0.000 0.971 286 F CB 1.915 40.708 39.000 -0.346 0.000 1.279 286 F HN -0.208 nan 8.300 nan 0.000 0.441 287 Q N 5.306 124.647 119.800 -0.764 0.000 2.357 287 Q HA 0.315 4.666 4.340 0.018 0.000 0.266 287 Q C 0.305 175.605 176.000 -1.166 0.000 1.021 287 Q CA -0.689 54.687 55.803 -0.712 0.000 0.784 287 Q CB 2.234 30.786 28.738 -0.310 0.000 1.243 287 Q HN 0.844 nan 8.270 nan 0.000 0.465 288 L N 2.589 123.137 121.223 -1.124 0.000 2.079 288 L HA -0.106 4.245 4.340 0.018 0.000 0.210 288 L C 0.500 176.903 176.870 -0.779 0.000 1.081 288 L CA 1.955 56.112 54.840 -1.137 0.000 0.752 288 L CB 0.070 41.347 42.059 -1.303 0.000 0.896 288 L HN 0.613 nan 8.230 nan 0.000 0.433 289 F N -0.653 119.120 119.950 -0.294 0.000 2.925 289 F HA 0.577 5.115 4.527 0.019 0.000 0.302 289 F C 0.864 176.587 175.800 -0.129 0.000 1.189 289 F CA -0.217 57.682 58.000 -0.167 0.000 1.346 289 F CB -0.361 38.524 39.000 -0.192 0.000 0.954 289 F HN -0.030 nan 8.300 nan 0.000 0.506 290 G N -0.919 107.850 108.800 -0.052 0.000 2.690 290 G HA2 0.566 4.537 3.960 0.018 0.000 0.293 290 G HA3 0.566 4.537 3.960 0.018 0.000 0.293 290 G C -1.387 173.492 174.900 -0.034 0.000 1.399 290 G CA -0.679 44.404 45.100 -0.029 0.000 0.890 290 G HN -0.022 nan 8.290 nan 0.000 0.485 291 S N 0.437 116.139 115.700 0.002 0.000 2.536 291 S HA 0.730 5.211 4.470 0.018 0.000 0.298 291 S C -2.318 172.297 174.600 0.025 0.000 1.083 291 S CA -0.689 57.523 58.200 0.020 0.000 0.995 291 S CB 1.849 65.070 63.200 0.035 0.000 1.058 291 S HN 0.501 nan 8.310 nan 0.000 0.488 292 P HA 0.148 nan 4.420 nan 0.000 0.268 292 P C 0.767 178.086 177.300 0.033 0.000 1.208 292 P CA 0.020 63.143 63.100 0.038 0.000 0.777 292 P CB 0.374 32.102 31.700 0.047 0.000 0.875 293 S N 1.408 117.125 115.700 0.029 0.000 2.409 293 S HA -0.202 4.279 4.470 0.018 0.000 0.237 293 S C 1.868 176.485 174.600 0.028 0.000 1.060 293 S CA 2.122 60.338 58.200 0.026 0.000 1.052 293 S CB -0.943 62.270 63.200 0.023 0.000 0.871 293 S HN 0.760 nan 8.310 nan 0.000 0.465 294 G N 0.094 108.912 108.800 0.029 0.000 3.042 294 G HA2 0.185 4.156 3.960 0.018 0.000 0.212 294 G HA3 0.185 4.156 3.960 0.018 0.000 0.212 294 G C 0.409 175.331 174.900 0.038 0.000 1.166 294 G CA -0.196 44.922 45.100 0.030 0.000 0.767 294 G HN 0.390 nan 8.290 nan 0.000 0.546 295 Q N -0.065 119.760 119.800 0.041 0.000 2.252 295 Q HA 0.615 4.966 4.340 0.018 0.000 0.256 295 Q C -0.726 175.305 176.000 0.051 0.000 1.020 295 Q CA -0.461 55.371 55.803 0.049 0.000 0.913 295 Q CB 1.640 30.408 28.738 0.049 0.000 1.286 295 Q HN -0.107 nan 8.270 nan 0.000 0.480 296 K N 1.495 121.931 120.400 0.060 0.000 2.535 296 K HA 0.190 4.521 4.320 0.018 0.000 0.251 296 K C -1.420 175.222 176.600 0.070 0.000 0.942 296 K CA -0.481 55.842 56.287 0.060 0.000 0.798 296 K CB 1.507 34.042 32.500 0.058 0.000 1.267 296 K HN 0.551 nan 8.250 nan 0.000 0.434 297 D N 1.742 122.190 120.400 0.078 0.000 2.803 297 D HA -0.200 4.451 4.640 0.018 0.000 0.233 297 D C -0.315 176.037 176.300 0.087 0.000 1.182 297 D CA 0.604 54.669 54.000 0.107 0.000 0.726 297 D CB -0.722 40.158 40.800 0.133 0.000 0.987 297 D HN 0.143 nan 8.370 nan 0.000 0.412 298 L N 0.746 122.003 121.223 0.057 0.000 2.290 298 L HA 0.327 4.678 4.340 0.018 0.000 0.284 298 L C 2.013 178.845 176.870 -0.063 0.000 1.078 298 L CA -0.095 54.755 54.840 0.017 0.000 0.815 298 L CB 0.446 42.515 42.059 0.017 0.000 1.162 298 L HN 0.416 nan 8.230 nan 0.000 0.435 299 L N 1.654 122.799 121.223 -0.130 0.000 3.417 299 L HA -0.348 4.003 4.340 0.018 0.000 0.368 299 L C -0.305 176.167 176.870 -0.663 0.000 0.810 299 L CA 1.594 56.163 54.840 -0.451 0.000 3.108 299 L CB -1.154 40.472 42.059 -0.722 0.000 0.687 299 L HN 0.420 nan 8.230 nan 0.000 0.756 300 F N -1.035 119.008 119.950 0.155 0.000 2.643 300 F HA 0.535 5.074 4.527 0.020 0.000 0.314 300 F C 0.403 176.336 175.800 0.223 0.000 1.096 300 F CA -1.052 57.102 58.000 0.257 0.000 0.953 300 F CB 0.788 39.980 39.000 0.320 0.000 1.345 300 F HN -0.264 nan 8.300 nan 0.000 0.468 301 K N 1.693 122.364 120.400 0.453 0.000 2.412 301 K HA 0.069 4.400 4.320 0.018 0.000 0.281 301 K C -0.844 175.868 176.600 0.188 0.000 1.027 301 K CA -0.019 56.420 56.287 0.253 0.000 0.989 301 K CB 0.370 32.988 32.500 0.196 0.000 0.935 301 K HN 0.543 nan 8.250 nan 0.000 0.475 302 D N 1.282 121.743 120.400 0.101 0.000 2.414 302 D HA -0.002 4.649 4.640 0.018 0.000 0.242 302 D C 0.407 176.696 176.300 -0.018 0.000 1.129 302 D CA 0.424 54.463 54.000 0.065 0.000 0.885 302 D CB 0.674 41.498 40.800 0.040 0.000 1.198 302 D HN 0.508 nan 8.370 nan 0.000 0.437 303 S N -1.135 114.558 115.700 -0.012 0.000 3.361 303 S HA -0.167 4.314 4.470 0.018 0.000 0.288 303 S C 0.388 174.868 174.600 -0.199 0.000 1.269 303 S CA 0.613 58.756 58.200 -0.096 0.000 0.976 303 S CB -1.377 61.770 63.200 -0.088 0.000 1.162 303 S HN 0.810 nan 8.310 nan 0.000 0.643 304 A N 1.103 123.720 122.820 -0.338 0.000 2.366 304 A HA 0.677 5.008 4.320 0.018 0.000 0.249 304 A C 1.379 178.357 177.584 -1.010 0.000 1.084 304 A CA 0.219 51.882 52.037 -0.622 0.000 0.794 304 A CB 0.116 18.600 19.000 -0.859 0.000 1.034 304 A HN 0.959 nan 8.150 nan 0.000 0.491 305 I N -2.174 117.883 120.570 -0.856 0.000 4.070 305 I HA 0.539 4.721 4.170 0.018 0.000 0.328 305 I C 0.554 176.316 176.117 -0.592 0.000 1.298 305 I CA 0.646 61.579 61.300 -0.611 0.000 1.173 305 I CB -0.028 37.787 38.000 -0.308 0.000 1.051 305 I HN 0.798 nan 8.210 nan 0.000 0.409 306 G N 1.098 109.397 108.800 -0.834 0.000 2.336 306 G HA2 0.344 4.315 3.960 0.018 0.000 0.286 306 G HA3 0.344 4.315 3.960 0.018 0.000 0.286 306 G C -1.847 172.610 174.900 -0.739 0.000 1.269 306 G CA -0.696 44.102 45.100 -0.502 0.000 0.873 306 G HN 0.076 nan 8.290 nan 0.000 0.494 307 F N -0.057 119.930 119.950 0.062 0.000 2.598 307 F HA 0.836 5.373 4.527 0.018 0.000 0.327 307 F C 0.538 176.537 175.800 0.332 0.000 1.057 307 F CA -0.850 57.266 58.000 0.193 0.000 0.957 307 F CB 2.615 41.784 39.000 0.282 0.000 1.278 307 F HN 0.459 nan 8.300 nan 0.000 0.484 308 S N 1.217 117.262 115.700 0.575 0.000 2.647 308 S HA 0.437 4.918 4.470 0.018 0.000 0.300 308 S C -0.748 174.028 174.600 0.293 0.000 1.129 308 S CA -0.737 57.725 58.200 0.437 0.000 1.029 308 S CB 0.771 64.186 63.200 0.360 0.000 1.007 308 S HN 0.690 nan 8.310 nan 0.000 0.484 309 R N 3.309 123.697 120.500 -0.187 0.000 2.590 309 R HA 0.359 4.710 4.340 0.018 0.000 0.274 309 R C -0.898 175.181 176.300 -0.368 0.000 1.061 309 R CA -0.108 55.645 56.100 -0.578 0.000 1.081 309 R CB 0.418 29.932 30.300 -1.310 0.000 0.984 309 R HN 0.492 nan 8.270 nan 0.000 0.448 310 V N 7.789 127.473 119.914 -0.384 0.000 2.364 310 V HA 0.234 4.365 4.120 0.018 0.000 0.272 310 V C -1.978 173.840 176.094 -0.459 0.000 1.036 310 V CA -1.990 59.940 62.300 -0.615 0.000 0.880 310 V CB 1.310 32.910 31.823 -0.371 0.000 0.991 310 V HN 0.845 nan 8.190 nan 0.000 0.460 311 P HA 0.075 nan 4.420 nan 0.000 0.264 311 P C -2.009 175.166 177.300 -0.209 0.000 1.183 311 P CA -0.774 62.160 63.100 -0.277 0.000 0.763 311 P CB 0.100 31.673 31.700 -0.211 0.000 0.807 312 P HA -0.169 nan 4.420 nan 0.000 0.218 312 P C 1.245 178.489 177.300 -0.095 0.000 1.146 312 P CA 1.226 64.257 63.100 -0.115 0.000 0.813 312 P CB 0.067 31.712 31.700 -0.092 0.000 0.778 313 R N -0.221 120.227 120.500 -0.088 0.000 2.307 313 R HA 0.083 4.434 4.340 0.018 0.000 0.199 313 R C 0.519 176.780 176.300 -0.065 0.000 1.000 313 R CA 0.261 56.319 56.100 -0.069 0.000 1.023 313 R CB -1.027 29.237 30.300 -0.060 0.000 0.908 313 R HN 0.123 nan 8.270 nan 0.000 0.473 314 I N 2.253 122.778 120.570 -0.076 0.000 2.441 314 I HA 0.120 4.301 4.170 0.018 0.000 0.287 314 I C -0.155 175.937 176.117 -0.042 0.000 1.049 314 I CA -0.569 60.703 61.300 -0.046 0.000 1.381 314 I CB 0.874 38.852 38.000 -0.038 0.000 1.409 314 I HN 0.235 nan 8.210 nan 0.000 0.523 315 D N 3.355 123.736 120.400 -0.033 0.000 2.467 315 D HA 0.255 4.906 4.640 0.018 0.000 0.245 315 D C 0.799 177.081 176.300 -0.030 0.000 1.038 315 D CA -0.682 53.289 54.000 -0.049 0.000 1.038 315 D CB 0.950 41.706 40.800 -0.074 0.000 1.278 315 D HN 0.448 nan 8.370 nan 0.000 0.564 316 S N -0.398 115.271 115.700 -0.051 0.000 2.359 316 S HA -0.135 4.346 4.470 0.018 0.000 0.223 316 S C 2.179 176.699 174.600 -0.133 0.000 1.039 316 S CA 1.339 59.533 58.200 -0.009 0.000 1.042 316 S CB -1.590 61.619 63.200 0.016 0.000 0.915 316 S HN 0.752 nan 8.310 nan 0.000 0.439 317 G N 2.135 110.653 108.800 -0.470 0.000 2.529 317 G HA2 -0.165 3.806 3.960 0.018 0.000 0.219 317 G HA3 -0.165 3.806 3.960 0.018 0.000 0.219 317 G C 1.456 176.033 174.900 -0.539 0.000 1.177 317 G CA 1.160 45.535 45.100 -1.209 0.000 0.773 317 G HN 0.493 nan 8.290 nan 0.000 0.573 318 L N -1.090 119.988 121.223 -0.241 0.000 2.201 318 L HA -0.022 4.329 4.340 0.018 0.000 0.212 318 L C 2.555 179.440 176.870 0.026 0.000 1.105 318 L CA 0.890 55.677 54.840 -0.087 0.000 0.775 318 L CB -0.285 41.745 42.059 -0.048 0.000 0.913 318 L HN 0.369 nan 8.230 nan 0.000 0.440 319 Y N 0.373 120.655 120.300 -0.031 0.000 2.220 319 Y HA -0.156 4.405 4.550 0.019 0.000 0.291 319 Y C 2.277 178.255 175.900 0.130 0.000 1.129 319 Y CA 1.308 59.462 58.100 0.090 0.000 1.161 319 Y CB 0.052 38.572 38.460 0.099 0.000 0.997 319 Y HN -0.002 nan 8.280 nan 0.000 0.522 320 L N -0.147 121.225 121.223 0.248 0.000 2.156 320 L HA 0.099 4.450 4.340 0.018 0.000 0.208 320 L C 1.091 178.080 176.870 0.198 0.000 1.095 320 L CA 0.726 55.742 54.840 0.295 0.000 0.770 320 L CB -1.043 41.228 42.059 0.352 0.000 0.914 320 L HN 0.447 nan 8.230 nan 0.000 0.439 321 G N -0.900 107.956 108.800 0.092 0.000 2.675 321 G HA2 -0.213 3.758 3.960 0.018 0.000 0.686 321 G HA3 -0.213 3.758 3.960 0.018 0.000 0.686 321 G C 0.578 175.567 174.900 0.148 0.000 1.215 321 G CA -0.193 44.952 45.100 0.075 0.000 0.777 321 G HN 0.161 nan 8.290 nan 0.000 0.638 322 S N 0.434 116.198 115.700 0.107 0.000 2.368 322 S HA 0.034 4.516 4.470 0.018 0.000 0.224 322 S C 2.656 177.339 174.600 0.138 0.000 1.029 322 S CA 2.013 60.297 58.200 0.140 0.000 0.988 322 S CB -0.646 62.603 63.200 0.081 0.000 0.838 322 S HN 2.137 nan 8.310 nan 0.000 0.462 323 G N 0.975 109.840 108.800 0.108 0.000 2.545 323 G HA2 -0.258 3.713 3.960 0.018 0.000 0.217 323 G HA3 -0.258 3.713 3.960 0.018 0.000 0.217 323 G C 1.320 176.307 174.900 0.145 0.000 1.218 323 G CA 1.148 46.310 45.100 0.104 0.000 0.787 323 G HN 0.491 nan 8.290 nan 0.000 0.571 324 Y N 0.663 120.997 120.300 0.057 0.000 2.114 324 Y HA -0.061 4.500 4.550 0.018 0.000 0.284 324 Y C 2.423 178.385 175.900 0.105 0.000 1.143 324 Y CA 1.238 59.373 58.100 0.060 0.000 1.135 324 Y CB -0.903 37.591 38.460 0.056 0.000 0.980 324 Y HN 0.179 nan 8.280 nan 0.000 0.499 325 F N 0.843 120.717 119.950 -0.127 0.000 2.120 325 F HA -0.237 4.302 4.527 0.019 0.000 0.300 325 F C 2.606 178.299 175.800 -0.178 0.000 1.095 325 F CA 2.480 60.374 58.000 -0.177 0.000 1.249 325 F CB -0.883 38.117 39.000 -0.000 0.000 0.995 325 F HN 0.219 nan 8.300 nan 0.000 0.480 326 T N -2.054 112.441 114.554 -0.099 0.000 3.014 326 T HA 0.128 4.489 4.350 0.018 0.000 0.263 326 T C 2.148 176.727 174.700 -0.202 0.000 1.078 326 T CA 0.654 62.636 62.100 -0.197 0.000 1.135 326 T CB -0.845 67.989 68.868 -0.057 0.000 0.895 326 T HN 0.222 nan 8.240 nan 0.000 0.480 327 A N 1.742 124.475 122.820 -0.145 0.000 1.940 327 A HA 0.094 4.425 4.320 0.018 0.000 0.219 327 A C 2.343 179.793 177.584 -0.223 0.000 1.176 327 A CA 1.410 53.376 52.037 -0.118 0.000 0.631 327 A CB -0.852 18.145 19.000 -0.004 0.000 0.814 327 A HN 0.612 nan 8.150 nan 0.000 0.446 328 I N -0.890 119.435 120.570 -0.408 0.000 2.163 328 I HA -0.309 3.872 4.170 0.018 0.000 0.240 328 I C 2.827 178.652 176.117 -0.487 0.000 1.081 328 I CA 1.664 62.631 61.300 -0.554 0.000 1.353 328 I CB -0.559 36.855 38.000 -0.976 0.000 1.054 328 I HN 0.427 nan 8.210 nan 0.000 0.407 329 Q N 0.598 120.086 119.800 -0.520 0.000 2.124 329 Q HA -0.197 4.154 4.340 0.018 0.000 0.202 329 Q C 1.739 177.632 176.000 -0.178 0.000 0.977 329 Q CA 1.512 57.114 55.803 -0.334 0.000 0.850 329 Q CB -0.277 28.248 28.738 -0.355 0.000 0.901 329 Q HN 0.567 nan 8.270 nan 0.000 0.429 330 N N 0.128 118.734 118.700 -0.157 0.000 2.573 330 N HA -0.077 4.675 4.740 0.018 0.000 0.187 330 N C 1.291 176.798 175.510 -0.004 0.000 1.107 330 N CA 0.122 53.132 53.050 -0.066 0.000 0.918 330 N CB 0.084 38.532 38.487 -0.064 0.000 0.966 330 N HN 0.220 nan 8.380 nan 0.000 0.448 331 L N 0.129 121.326 121.223 -0.044 0.000 2.313 331 L HA -0.011 4.340 4.340 0.018 0.000 0.214 331 L C 1.095 178.023 176.870 0.097 0.000 1.119 331 L CA 0.806 55.635 54.840 -0.018 0.000 0.809 331 L CB 0.109 42.115 42.059 -0.089 0.000 0.933 331 L HN 0.056 nan 8.230 nan 0.000 0.449 332 R N -0.413 120.146 120.500 0.099 0.000 2.515 332 R HA 0.208 4.559 4.340 0.018 0.000 0.294 332 R C -0.402 176.007 176.300 0.182 0.000 1.021 332 R CA 0.032 56.236 56.100 0.172 0.000 1.081 332 R CB 0.228 30.574 30.300 0.076 0.000 1.263 332 R HN 0.090 nan 8.270 nan 0.000 0.557 333 K N 0.224 120.737 120.400 0.188 0.000 2.435 333 K HA 0.369 4.700 4.320 0.018 0.000 0.251 333 K C -0.385 176.189 176.600 -0.043 0.000 0.954 333 K CA -0.718 55.600 56.287 0.052 0.000 0.820 333 K CB 2.249 34.755 32.500 0.011 0.000 1.292 333 K HN 0.002 nan 8.250 nan 0.000 0.436 334 S N 0.318 115.924 115.700 -0.157 0.000 2.608 334 S HA 0.051 4.532 4.470 0.018 0.000 0.261 334 S C 0.970 175.477 174.600 -0.155 0.000 1.314 334 S CA -0.567 57.470 58.200 -0.272 0.000 0.992 334 S CB 0.818 63.878 63.200 -0.234 0.000 0.935 334 S HN 0.660 nan 8.310 nan 0.000 0.564 335 E N 0.496 120.601 120.200 -0.159 0.000 2.204 335 E HA -0.152 4.209 4.350 0.018 0.000 0.194 335 E C 1.493 178.042 176.600 -0.085 0.000 0.989 335 E CA 1.036 57.380 56.400 -0.093 0.000 0.824 335 E CB -0.020 29.625 29.700 -0.093 0.000 0.756 335 E HN 0.647 nan 8.360 nan 0.000 0.477 336 E N 0.478 120.618 120.200 -0.099 0.000 2.086 336 E HA -0.135 4.226 4.350 0.018 0.000 0.190 336 E C 1.756 178.315 176.600 -0.069 0.000 0.975 336 E CA 0.724 57.075 56.400 -0.081 0.000 0.813 336 E CB -0.012 29.638 29.700 -0.083 0.000 0.768 336 E HN 0.200 nan 8.360 nan 0.000 0.457 337 E N 0.489 120.644 120.200 -0.075 0.000 2.152 337 E HA -0.116 4.246 4.350 0.018 0.000 0.192 337 E C 1.734 178.304 176.600 -0.050 0.000 0.983 337 E CA 0.695 57.059 56.400 -0.059 0.000 0.818 337 E CB 0.241 29.906 29.700 -0.059 0.000 0.758 337 E HN 0.069 nan 8.360 nan 0.000 0.467 338 V N 0.926 120.810 119.914 -0.051 0.000 2.453 338 V HA -0.164 3.967 4.120 0.018 0.000 0.247 338 V C 2.331 178.401 176.094 -0.039 0.000 1.048 338 V CA 1.649 63.925 62.300 -0.041 0.000 1.049 338 V CB -0.289 31.513 31.823 -0.036 0.000 0.672 338 V HN 0.410 nan 8.190 nan 0.000 0.457 339 A N -0.298 122.497 122.820 -0.043 0.000 2.014 339 A HA 0.066 4.397 4.320 0.018 0.000 0.218 339 A C 2.328 179.891 177.584 -0.035 0.000 1.163 339 A CA 1.552 53.566 52.037 -0.039 0.000 0.652 339 A CB -0.457 18.518 19.000 -0.042 0.000 0.808 339 A HN 0.528 nan 8.150 nan 0.000 0.449 340 A N -0.082 122.715 122.820 -0.038 0.000 1.968 340 A HA -0.045 4.286 4.320 0.018 0.000 0.217 340 A C 2.138 179.703 177.584 -0.032 0.000 1.169 340 A CA 1.746 53.761 52.037 -0.036 0.000 0.638 340 A CB -0.322 18.655 19.000 -0.039 0.000 0.812 340 A HN 0.438 nan 8.150 nan 0.000 0.446 341 R N -0.194 120.287 120.500 -0.031 0.000 2.153 341 R HA 0.093 4.444 4.340 0.018 0.000 0.218 341 R C 2.033 178.321 176.300 -0.020 0.000 1.072 341 R CA 1.349 57.434 56.100 -0.026 0.000 0.990 341 R CB -0.434 29.849 30.300 -0.028 0.000 0.889 341 R HN 0.467 nan 8.270 nan 0.000 0.452 342 R N -0.709 119.778 120.500 -0.021 0.000 2.119 342 R HA 0.126 4.477 4.340 0.018 0.000 0.222 342 R C 1.955 178.249 176.300 -0.009 0.000 1.088 342 R CA 1.123 57.214 56.100 -0.014 0.000 0.984 342 R CB -0.086 30.204 30.300 -0.017 0.000 0.884 342 R HN 0.288 nan 8.270 nan 0.000 0.447 343 A N 0.892 123.703 122.820 -0.015 0.000 1.930 343 A HA -0.054 4.277 4.320 0.018 0.000 0.215 343 A C 1.202 178.781 177.584 -0.009 0.000 1.176 343 A CA 0.275 52.304 52.037 -0.013 0.000 0.632 343 A CB -0.176 18.810 19.000 -0.023 0.000 0.819 343 A HN 0.141 nan 8.150 nan 0.000 0.445 344 R N 0.267 120.759 120.500 -0.014 0.000 2.490 344 R HA 0.400 4.751 4.340 0.018 0.000 0.280 344 R C -1.472 174.828 176.300 -0.001 0.000 1.077 344 R CA -0.125 55.965 56.100 -0.017 0.000 1.065 344 R CB 0.649 30.932 30.300 -0.028 0.000 1.003 344 R HN 0.071 nan 8.270 nan 0.000 0.470 345 V N 5.443 125.361 119.914 0.006 0.000 2.347 345 V HA 0.214 4.345 4.120 0.018 0.000 0.280 345 V C -0.260 175.855 176.094 0.034 0.000 1.021 345 V CA -0.680 61.648 62.300 0.047 0.000 0.847 345 V CB 1.590 33.492 31.823 0.130 0.000 0.990 345 V HN 0.517 nan 8.190 nan 0.000 0.444 346 V N 5.048 124.983 119.914 0.035 0.000 2.364 346 V HA 0.288 4.419 4.120 0.018 0.000 0.272 346 V C -0.116 176.023 176.094 0.075 0.000 1.036 346 V CA -0.578 61.742 62.300 0.033 0.000 0.880 346 V CB 1.309 33.134 31.823 0.002 0.000 0.991 346 V HN 0.841 nan 8.190 nan 0.000 0.460 347 W N 5.102 126.360 121.300 -0.071 0.000 2.315 347 W HA 0.380 5.052 4.660 0.020 0.000 0.316 347 W C -0.214 176.300 176.519 -0.008 0.000 1.211 347 W CA -0.536 56.799 57.345 -0.017 0.000 1.201 347 W CB 1.669 31.140 29.460 0.018 0.000 1.184 347 W HN 0.580 nan 8.180 nan 0.000 0.544 348 c N 5.827 124.291 118.600 -0.227 0.000 2.273 348 c HA 0.735 5.317 4.570 0.018 0.000 0.328 348 c C 0.278 174.392 174.090 0.040 0.000 1.275 348 c CA -0.309 55.971 56.329 -0.081 0.000 1.704 348 c CB -0.651 41.769 42.510 -0.150 0.000 2.326 348 c HN 0.599 nan 8.230 nan 0.000 0.517 349 A N 5.310 128.201 122.820 0.117 0.000 2.290 349 A HA 0.659 4.991 4.320 0.018 0.000 0.310 349 A C -0.551 177.060 177.584 0.045 0.000 1.202 349 A CA -0.316 51.802 52.037 0.134 0.000 0.837 349 A CB 0.707 19.798 19.000 0.152 0.000 1.139 349 A HN 0.868 nan 8.150 nan 0.000 0.509 350 V N 2.801 122.738 119.914 0.039 0.000 2.277 350 V HA 0.650 4.781 4.120 0.018 0.000 0.269 350 V C 0.740 176.821 176.094 -0.023 0.000 1.036 350 V CA 0.678 62.965 62.300 -0.021 0.000 0.821 350 V CB -0.386 31.407 31.823 -0.051 0.000 1.052 350 V HN 1.912 nan 8.190 nan 0.000 0.462 351 G N 4.412 113.192 108.800 -0.033 0.000 2.663 351 G HA2 -0.073 3.898 3.960 0.018 0.000 0.686 351 G HA3 -0.073 3.898 3.960 0.018 0.000 0.686 351 G C 0.106 175.010 174.900 0.006 0.000 1.246 351 G CA -0.246 44.836 45.100 -0.030 0.000 0.795 351 G HN 0.565 nan 8.290 nan 0.000 0.627 352 E N 0.336 120.537 120.200 0.003 0.000 2.070 352 E HA -0.145 4.216 4.350 0.018 0.000 0.197 352 E C 2.562 179.185 176.600 0.037 0.000 1.004 352 E CA 2.126 58.536 56.400 0.018 0.000 0.805 352 E CB -0.300 29.407 29.700 0.011 0.000 0.744 352 E HN 0.716 nan 8.360 nan 0.000 0.451 353 Q N 0.286 120.112 119.800 0.044 0.000 2.050 353 Q HA -0.130 4.222 4.340 0.018 0.000 0.202 353 Q C 2.159 178.210 176.000 0.085 0.000 0.980 353 Q CA 1.344 57.186 55.803 0.065 0.000 0.840 353 Q CB -0.048 28.734 28.738 0.073 0.000 0.898 353 Q HN 0.391 nan 8.270 nan 0.000 0.424 354 E N 0.210 120.463 120.200 0.089 0.000 2.150 354 E HA -0.193 4.168 4.350 0.018 0.000 0.193 354 E C 1.999 178.671 176.600 0.121 0.000 0.985 354 E CA 0.612 57.083 56.400 0.118 0.000 0.814 354 E CB -0.057 29.718 29.700 0.125 0.000 0.752 354 E HN 0.190 nan 8.360 nan 0.000 0.466 355 L N 1.720 122.998 121.223 0.091 0.000 2.012 355 L HA -0.205 4.146 4.340 0.018 0.000 0.210 355 L C 2.198 179.114 176.870 0.077 0.000 1.073 355 L CA 1.724 56.614 54.840 0.083 0.000 0.748 355 L CB -0.302 41.788 42.059 0.052 0.000 0.891 355 L HN -0.048 nan 8.230 nan 0.000 0.431 356 R N -0.214 120.327 120.500 0.068 0.000 2.097 356 R HA -0.259 4.092 4.340 0.018 0.000 0.236 356 R C 2.382 178.733 176.300 0.085 0.000 1.135 356 R CA 2.129 58.266 56.100 0.062 0.000 0.934 356 R CB -0.707 29.628 30.300 0.058 0.000 0.846 356 R HN 0.402 nan 8.270 nan 0.000 0.431 357 K N 0.735 121.207 120.400 0.119 0.000 2.063 357 K HA -0.205 4.126 4.320 0.018 0.000 0.208 357 K C 2.313 179.027 176.600 0.190 0.000 1.048 357 K CA 1.753 58.144 56.287 0.173 0.000 0.928 357 K CB -0.336 32.276 32.500 0.187 0.000 0.713 357 K HN 0.257 nan 8.250 nan 0.000 0.442 358 c N 1.603 120.313 118.600 0.185 0.000 2.413 358 c HA -0.105 4.476 4.570 0.018 0.000 0.276 358 c C 2.415 176.554 174.090 0.082 0.000 1.236 358 c CA 1.285 57.740 56.329 0.210 0.000 1.735 358 c CB -1.358 41.267 42.510 0.192 0.000 2.031 358 c HN 0.578 nan 8.230 nan 0.000 0.474 359 N N 0.528 119.249 118.700 0.037 0.000 2.037 359 N HA -0.197 4.555 4.740 0.018 0.000 0.196 359 N C 1.716 177.180 175.510 -0.076 0.000 1.034 359 N CA 1.816 54.852 53.050 -0.022 0.000 0.861 359 N CB -0.808 37.676 38.487 -0.006 0.000 1.039 359 N HN 0.690 nan 8.380 nan 0.000 0.427 360 Q N -0.833 118.923 119.800 -0.073 0.000 2.082 360 Q HA -0.214 4.137 4.340 0.018 0.000 0.211 360 Q C 1.899 177.606 176.000 -0.487 0.000 1.002 360 Q CA 1.858 57.543 55.803 -0.196 0.000 0.868 360 Q CB -0.340 28.339 28.738 -0.099 0.000 0.931 360 Q HN 0.524 nan 8.270 nan 0.000 0.414 361 W N 0.467 121.263 121.300 -0.840 0.000 2.388 361 W HA -0.095 4.576 4.660 0.018 0.000 0.294 361 W C 2.445 178.641 176.519 -0.537 0.000 1.212 361 W CA 1.284 57.984 57.345 -1.076 0.000 1.271 361 W CB -0.825 28.288 29.460 -0.579 0.000 1.126 361 W HN 0.045 nan 8.180 nan 0.000 0.535 362 S N 0.011 115.542 115.700 -0.281 0.000 2.353 362 S HA -0.136 4.345 4.470 0.018 0.000 0.222 362 S C 2.161 176.638 174.600 -0.205 0.000 1.035 362 S CA 2.253 60.269 58.200 -0.306 0.000 1.025 362 S CB -1.175 61.905 63.200 -0.199 0.000 0.902 362 S HN 0.343 nan 8.310 nan 0.000 0.440 363 G N 0.458 109.160 108.800 -0.163 0.000 2.462 363 G HA2 -0.092 3.879 3.960 0.018 0.000 0.220 363 G HA3 -0.092 3.879 3.960 0.018 0.000 0.220 363 G C 1.038 175.890 174.900 -0.080 0.000 1.121 363 G CA 0.696 45.731 45.100 -0.109 0.000 0.758 363 G HN 0.490 nan 8.290 nan 0.000 0.559 364 L N 1.388 122.543 121.223 -0.113 0.000 2.628 364 L HA 0.206 4.558 4.340 0.018 0.000 0.229 364 L C 2.242 179.240 176.870 0.213 0.000 1.137 364 L CA 0.722 55.571 54.840 0.015 0.000 0.909 364 L CB 0.665 42.620 42.059 -0.172 0.000 1.137 364 L HN 0.236 nan 8.230 nan 0.000 0.470 365 S N -1.945 113.810 115.700 0.092 0.000 2.575 365 S HA 0.078 4.560 4.470 0.018 0.000 0.215 365 S C 0.534 175.196 174.600 0.104 0.000 0.966 365 S CA -0.347 57.945 58.200 0.154 0.000 0.911 365 S CB -0.324 62.858 63.200 -0.031 0.000 0.780 365 S HN 0.437 nan 8.310 nan 0.000 0.514 366 E N 0.913 121.152 120.200 0.066 0.000 2.252 366 E HA -0.204 4.157 4.350 0.018 0.000 0.218 366 E C 0.832 177.431 176.600 -0.002 0.000 1.253 366 E CA 0.195 56.616 56.400 0.035 0.000 0.705 366 E CB -2.165 27.571 29.700 0.060 0.000 1.172 366 E HN 0.900 nan 8.360 nan 0.000 0.369 367 G N -0.092 108.694 108.800 -0.024 0.000 2.186 367 G HA2 -0.455 3.516 3.960 0.018 0.000 0.266 367 G HA3 -0.455 3.516 3.960 0.018 0.000 0.266 367 G C 0.962 175.829 174.900 -0.056 0.000 0.982 367 G CA 1.214 46.288 45.100 -0.045 0.000 0.670 367 G HN 0.876 nan 8.290 nan 0.000 0.533 368 S N -1.806 113.863 115.700 -0.053 0.000 2.446 368 S HA 0.445 4.926 4.470 0.018 0.000 0.225 368 S C 0.823 175.359 174.600 -0.107 0.000 1.016 368 S CA 0.912 59.081 58.200 -0.051 0.000 0.943 368 S CB 0.582 63.777 63.200 -0.008 0.000 0.786 368 S HN 0.865 nan 8.310 nan 0.000 0.508 369 V N 1.154 120.937 119.914 -0.217 0.000 2.555 369 V HA 0.711 4.842 4.120 0.018 0.000 0.302 369 V C -0.165 175.750 176.094 -0.298 0.000 1.038 369 V CA -0.475 61.605 62.300 -0.367 0.000 0.887 369 V CB 1.602 32.864 31.823 -0.935 0.000 0.991 369 V HN 0.396 nan 8.190 nan 0.000 0.434 370 T N 3.040 117.473 114.554 -0.203 0.000 2.883 370 T HA 0.546 4.907 4.350 0.018 0.000 0.296 370 T C -0.961 173.701 174.700 -0.062 0.000 1.117 370 T CA -0.254 61.772 62.100 -0.124 0.000 1.006 370 T CB 1.344 70.166 68.868 -0.077 0.000 1.191 370 T HN 0.777 nan 8.240 nan 0.000 0.508 371 c N 2.468 121.054 118.600 -0.023 0.000 2.382 371 c HA 0.902 5.483 4.570 0.018 0.000 0.327 371 c C 0.418 174.526 174.090 0.030 0.000 1.250 371 c CA -0.707 55.646 56.329 0.039 0.000 1.707 371 c CB 0.535 43.069 42.510 0.040 0.000 2.272 371 c HN 0.891 nan 8.230 nan 0.000 0.506 372 S N 1.719 117.448 115.700 0.047 0.000 2.632 372 S HA 0.933 5.414 4.470 0.018 0.000 0.289 372 S C -0.636 173.980 174.600 0.027 0.000 1.115 372 S CA -0.140 58.073 58.200 0.022 0.000 0.889 372 S CB 1.839 65.042 63.200 0.005 0.000 1.116 372 S HN 1.457 nan 8.310 nan 0.000 0.486 373 S N 0.885 116.590 115.700 0.008 0.000 2.588 373 S HA 0.909 5.390 4.470 0.018 0.000 0.269 373 S C -0.829 173.760 174.600 -0.018 0.000 1.157 373 S CA -0.205 57.999 58.200 0.006 0.000 0.824 373 S CB 0.876 64.087 63.200 0.018 0.000 1.126 373 S HN 2.059 nan 8.310 nan 0.000 0.464 374 A N 0.642 123.444 122.820 -0.030 0.000 2.599 374 A HA 0.802 5.133 4.320 0.018 0.000 0.290 374 A C 0.289 177.837 177.584 -0.059 0.000 1.101 374 A CA -0.115 51.893 52.037 -0.049 0.000 0.674 374 A CB 0.659 19.619 19.000 -0.065 0.000 1.277 374 A HN 1.801 nan 8.150 nan 0.000 0.419 375 S N -0.956 114.702 115.700 -0.071 0.000 2.540 375 S HA 0.328 4.809 4.470 0.018 0.000 0.218 375 S C 0.664 175.194 174.600 -0.116 0.000 0.977 375 S CA 0.847 58.995 58.200 -0.087 0.000 0.918 375 S CB -0.438 62.718 63.200 -0.074 0.000 0.806 375 S HN 1.831 nan 8.310 nan 0.000 0.496 376 T N -2.487 111.995 114.554 -0.120 0.000 2.906 376 T HA 0.490 4.851 4.350 0.018 0.000 0.295 376 T C 0.731 175.321 174.700 -0.183 0.000 1.075 376 T CA -0.391 61.621 62.100 -0.148 0.000 1.005 376 T CB 1.398 70.189 68.868 -0.128 0.000 1.136 376 T HN -0.116 nan 8.240 nan 0.000 0.498 377 T N 0.839 115.231 114.554 -0.270 0.000 2.821 377 T HA -0.053 4.308 4.350 0.018 0.000 0.267 377 T C 1.729 176.233 174.700 -0.326 0.000 1.046 377 T CA 1.440 63.304 62.100 -0.393 0.000 1.139 377 T CB -0.282 68.048 68.868 -0.895 0.000 0.871 377 T HN 0.723 nan 8.240 nan 0.000 0.454 378 E N 1.080 121.116 120.200 -0.273 0.000 2.058 378 E HA -0.178 4.183 4.350 0.018 0.000 0.194 378 E C 2.006 178.523 176.600 -0.137 0.000 0.997 378 E CA 1.279 57.573 56.400 -0.175 0.000 0.801 378 E CB -0.188 29.441 29.700 -0.119 0.000 0.746 378 E HN 0.444 nan 8.360 nan 0.000 0.450 379 D N 0.158 120.482 120.400 -0.126 0.000 2.178 379 D HA -0.124 4.527 4.640 0.018 0.000 0.201 379 D C 1.947 178.185 176.300 -0.103 0.000 0.980 379 D CA 0.685 54.625 54.000 -0.100 0.000 0.842 379 D CB -0.377 40.370 40.800 -0.088 0.000 0.948 379 D HN 0.192 nan 8.370 nan 0.000 0.472 380 c N 0.175 118.699 118.600 -0.128 0.000 2.450 380 c HA 0.060 4.641 4.570 0.018 0.000 0.279 380 c C 2.807 176.820 174.090 -0.128 0.000 1.335 380 c CA -0.207 56.048 56.329 -0.124 0.000 1.749 380 c CB -0.790 41.633 42.510 -0.144 0.000 1.963 380 c HN 0.312 nan 8.230 nan 0.000 0.501 381 I N 1.185 121.672 120.570 -0.139 0.000 2.315 381 I HA -0.184 3.997 4.170 0.018 0.000 0.248 381 I C 2.706 178.766 176.117 -0.095 0.000 1.117 381 I CA 1.446 62.673 61.300 -0.121 0.000 1.404 381 I CB -0.436 37.490 38.000 -0.122 0.000 1.071 381 I HN 0.272 nan 8.210 nan 0.000 0.419 382 A N 1.094 123.861 122.820 -0.088 0.000 1.883 382 A HA -0.186 4.145 4.320 0.018 0.000 0.217 382 A C 2.284 179.830 177.584 -0.062 0.000 1.186 382 A CA 1.494 53.487 52.037 -0.072 0.000 0.624 382 A CB -0.926 18.031 19.000 -0.072 0.000 0.822 382 A HN 0.381 nan 8.150 nan 0.000 0.444 383 L N -0.320 120.867 121.223 -0.061 0.000 2.042 383 L HA -0.176 4.175 4.340 0.018 0.000 0.210 383 L C 2.640 179.487 176.870 -0.038 0.000 1.076 383 L CA 1.549 56.364 54.840 -0.041 0.000 0.749 383 L CB -0.669 41.364 42.059 -0.043 0.000 0.893 383 L HN 0.433 nan 8.230 nan 0.000 0.432 384 V N -0.843 119.033 119.914 -0.063 0.000 2.667 384 V HA -0.168 3.964 4.120 0.018 0.000 0.252 384 V C 2.167 178.239 176.094 -0.036 0.000 1.065 384 V CA 1.222 63.486 62.300 -0.061 0.000 1.083 384 V CB -0.092 31.672 31.823 -0.098 0.000 0.692 384 V HN 0.331 nan 8.190 nan 0.000 0.468 385 L N -0.089 121.110 121.223 -0.040 0.000 2.027 385 L HA -0.074 4.277 4.340 0.018 0.000 0.206 385 L C 2.644 179.514 176.870 -0.000 0.000 1.074 385 L CA 1.926 56.749 54.840 -0.028 0.000 0.745 385 L CB -0.515 41.518 42.059 -0.044 0.000 0.898 385 L HN 0.249 nan 8.230 nan 0.000 0.433 386 K N 0.122 120.522 120.400 0.000 0.000 2.555 386 K HA 0.020 4.351 4.320 0.018 0.000 0.193 386 K C 1.258 177.972 176.600 0.190 0.000 1.032 386 K CA 0.571 56.892 56.287 0.058 0.000 1.004 386 K CB -0.101 32.405 32.500 0.010 0.000 0.804 386 K HN 0.479 nan 8.250 nan 0.000 0.496 387 G N 1.662 110.523 108.800 0.101 0.000 2.189 387 G HA2 -0.365 3.606 3.960 0.018 0.000 0.267 387 G HA3 -0.365 3.606 3.960 0.018 0.000 0.267 387 G C 0.653 175.591 174.900 0.063 0.000 0.975 387 G CA 0.735 45.882 45.100 0.079 0.000 0.644 387 G HN 0.511 nan 8.290 nan 0.000 0.537 388 E N 0.169 120.416 120.200 0.078 0.000 2.478 388 E HA 0.464 4.825 4.350 0.018 0.000 0.198 388 E C 1.132 177.740 176.600 0.014 0.000 1.046 388 E CA 0.974 57.408 56.400 0.057 0.000 0.870 388 E CB -0.053 29.692 29.700 0.074 0.000 0.818 388 E HN 1.097 nan 8.360 nan 0.000 0.527 389 A N -0.407 122.407 122.820 -0.009 0.000 2.606 389 A HA 0.369 4.700 4.320 0.018 0.000 0.293 389 A C -0.830 176.718 177.584 -0.060 0.000 1.082 389 A CA -0.744 51.269 52.037 -0.040 0.000 0.685 389 A CB 1.302 20.268 19.000 -0.058 0.000 1.284 389 A HN 0.060 nan 8.150 nan 0.000 0.408 390 D N -0.215 120.133 120.400 -0.087 0.000 2.470 390 D HA 0.467 5.118 4.640 0.018 0.000 0.238 390 D C 0.555 176.740 176.300 -0.192 0.000 1.054 390 D CA 1.442 55.384 54.000 -0.096 0.000 0.896 390 D CB 1.099 41.872 40.800 -0.046 0.000 1.118 390 D HN 0.979 nan 8.370 nan 0.000 0.497 391 A N 0.535 123.143 122.820 -0.354 0.000 2.601 391 A HA 0.746 5.077 4.320 0.018 0.000 0.291 391 A C -1.492 175.378 177.584 -1.190 0.000 1.075 391 A CA -0.737 50.923 52.037 -0.628 0.000 0.671 391 A CB 1.513 20.141 19.000 -0.620 0.000 1.277 391 A HN 0.063 nan 8.150 nan 0.000 0.417 392 M N -0.736 118.272 119.600 -0.987 0.000 2.643 392 M HA 0.621 5.112 4.480 0.018 0.000 0.276 392 M C -0.770 175.383 176.300 -0.244 0.000 1.200 392 M CA -0.485 54.338 55.300 -0.794 0.000 0.863 392 M CB 1.568 33.906 32.600 -0.437 0.000 1.711 392 M HN 0.638 nan 8.290 nan 0.000 0.492 393 S N 1.443 117.167 115.700 0.041 0.000 2.513 393 S HA 0.793 5.274 4.470 0.018 0.000 0.276 393 S C -0.860 173.822 174.600 0.136 0.000 1.254 393 S CA -0.523 57.787 58.200 0.183 0.000 1.053 393 S CB 0.249 63.593 63.200 0.240 0.000 0.958 393 S HN 0.549 nan 8.310 nan 0.000 0.491 394 L N 2.938 124.246 121.223 0.142 0.000 2.388 394 L HA 0.454 4.806 4.340 0.018 0.000 0.264 394 L C -0.387 176.444 176.870 -0.066 0.000 0.998 394 L CA -1.114 53.792 54.840 0.110 0.000 0.817 394 L CB 2.136 44.276 42.059 0.135 0.000 1.338 394 L HN 0.575 nan 8.230 nan 0.000 0.414 395 D N 0.715 120.953 120.400 -0.270 0.000 2.400 395 D HA 0.100 4.751 4.640 0.018 0.000 0.238 395 D C 1.265 177.538 176.300 -0.045 0.000 1.157 395 D CA 0.659 54.270 54.000 -0.648 0.000 0.889 395 D CB 1.693 42.237 40.800 -0.427 0.000 1.199 395 D HN 0.625 nan 8.370 nan 0.000 0.436 396 G N 1.712 110.609 108.800 0.161 0.000 2.470 396 G HA2 -0.162 3.809 3.960 0.018 0.000 0.220 396 G HA3 -0.162 3.809 3.960 0.018 0.000 0.220 396 G C 1.342 176.473 174.900 0.385 0.000 1.121 396 G CA 0.663 45.976 45.100 0.354 0.000 0.766 396 G HN 0.603 nan 8.290 nan 0.000 0.553 397 G N 0.248 109.164 108.800 0.193 0.000 2.433 397 G HA2 -0.201 3.771 3.960 0.018 0.000 0.216 397 G HA3 -0.201 3.771 3.960 0.018 0.000 0.216 397 G C 1.550 176.497 174.900 0.079 0.000 1.186 397 G CA 0.979 46.106 45.100 0.044 0.000 0.779 397 G HN 0.424 nan 8.290 nan 0.000 0.543 398 Y N 0.370 120.743 120.300 0.122 0.000 2.395 398 Y HA 0.095 4.655 4.550 0.018 0.000 0.293 398 Y C 2.876 178.822 175.900 0.077 0.000 1.123 398 Y CA -0.249 57.892 58.100 0.068 0.000 1.227 398 Y CB -0.660 37.810 38.460 0.016 0.000 1.012 398 Y HN 0.038 nan 8.280 nan 0.000 0.552 399 V N -0.571 119.506 119.914 0.271 0.000 2.759 399 V HA -0.289 3.842 4.120 0.018 0.000 0.256 399 V C 1.999 178.203 176.094 0.183 0.000 1.080 399 V CA 1.582 64.012 62.300 0.217 0.000 1.101 399 V CB -0.938 31.060 31.823 0.291 0.000 0.698 399 V HN 0.461 nan 8.190 nan 0.000 0.477 400 Y N 1.542 121.897 120.300 0.090 0.000 2.153 400 Y HA -0.208 4.351 4.550 0.014 0.000 0.289 400 Y C 2.657 178.418 175.900 -0.230 0.000 1.127 400 Y CA 2.286 60.368 58.100 -0.030 0.000 1.131 400 Y CB -0.632 37.823 38.460 -0.008 0.000 0.995 400 Y HN 0.184 nan 8.280 nan 0.000 0.505 401 T N 1.105 115.630 114.554 -0.048 0.000 2.684 401 T HA -0.240 4.121 4.350 0.018 0.000 0.267 401 T C 2.106 176.677 174.700 -0.216 0.000 1.036 401 T CA 1.798 63.822 62.100 -0.127 0.000 1.148 401 T CB -0.918 67.995 68.868 0.075 0.000 0.863 401 T HN 0.511 nan 8.240 nan 0.000 0.436 402 A N 1.273 124.016 122.820 -0.128 0.000 1.908 402 A HA 0.081 4.412 4.320 0.018 0.000 0.218 402 A C 2.619 180.069 177.584 -0.224 0.000 1.181 402 A CA 1.949 53.906 52.037 -0.133 0.000 0.627 402 A CB -1.327 17.637 19.000 -0.060 0.000 0.818 402 A HN 0.529 nan 8.150 nan 0.000 0.445 403 G N -0.700 107.875 108.800 -0.375 0.000 2.394 403 G HA2 -0.167 3.804 3.960 0.018 0.000 0.215 403 G HA3 -0.167 3.804 3.960 0.018 0.000 0.215 403 G C 1.612 176.073 174.900 -0.731 0.000 1.165 403 G CA 0.832 45.613 45.100 -0.532 0.000 0.784 403 G HN 0.422 nan 8.290 nan 0.000 0.535 404 K N -0.103 119.735 120.400 -0.936 0.000 2.211 404 K HA -0.078 4.253 4.320 0.018 0.000 0.204 404 K C 2.033 178.452 176.600 -0.302 0.000 1.047 404 K CA 0.820 56.739 56.287 -0.614 0.000 0.935 404 K CB -0.398 31.714 32.500 -0.647 0.000 0.728 404 K HN 0.333 nan 8.250 nan 0.000 0.452 405 c N 0.336 118.782 118.600 -0.256 0.000 2.613 405 c HA 0.163 4.745 4.570 0.018 0.000 0.273 405 c C 1.488 175.511 174.090 -0.112 0.000 1.304 405 c CA 0.289 56.528 56.329 -0.149 0.000 1.702 405 c CB -1.049 41.388 42.510 -0.123 0.000 1.792 405 c HN 0.724 nan 8.230 nan 0.000 0.588 406 G N 0.614 109.348 108.800 -0.111 0.000 2.179 406 G HA2 -0.231 3.740 3.960 0.018 0.000 0.260 406 G HA3 -0.231 3.740 3.960 0.018 0.000 0.260 406 G C 0.129 175.011 174.900 -0.029 0.000 0.977 406 G CA 0.008 45.079 45.100 -0.047 0.000 0.641 406 G HN 0.522 nan 8.290 nan 0.000 0.533 407 L N 0.329 121.522 121.223 -0.050 0.000 2.456 407 L HA 0.662 5.013 4.340 0.018 0.000 0.257 407 L C 1.053 177.926 176.870 0.004 0.000 1.162 407 L CA -0.575 54.245 54.840 -0.033 0.000 0.808 407 L CB 1.314 43.339 42.059 -0.056 0.000 1.136 407 L HN 0.334 nan 8.230 nan 0.000 0.466 408 V N -0.876 119.041 119.914 0.006 0.000 2.823 408 V HA 0.600 4.731 4.120 0.018 0.000 0.312 408 V C -2.620 173.470 176.094 -0.006 0.000 1.072 408 V CA -2.309 60.005 62.300 0.024 0.000 0.937 408 V CB 1.668 33.508 31.823 0.029 0.000 1.013 408 V HN 0.545 nan 8.190 nan 0.000 0.430 409 P HA 0.179 nan 4.420 nan 0.000 0.276 409 P C 0.352 177.601 177.300 -0.085 0.000 1.235 409 P CA 0.210 63.239 63.100 -0.119 0.000 0.772 409 P CB 1.932 33.449 31.700 -0.306 0.000 0.871 410 V N 4.330 124.214 119.914 -0.050 0.000 3.013 410 V HA 0.327 4.458 4.120 0.018 0.000 0.238 410 V C 0.175 176.270 176.094 0.002 0.000 1.161 410 V CA 0.805 63.101 62.300 -0.007 0.000 1.170 410 V CB -0.121 31.720 31.823 0.030 0.000 0.917 410 V HN 0.293 nan 8.190 nan 0.000 0.478 411 L N 0.967 122.207 121.223 0.027 0.000 2.434 411 L HA 0.878 5.229 4.340 0.018 0.000 0.260 411 L C -0.592 176.311 176.870 0.056 0.000 0.983 411 L CA -0.277 54.593 54.840 0.050 0.000 0.820 411 L CB 1.949 44.071 42.059 0.105 0.000 1.361 411 L HN 0.218 nan 8.230 nan 0.000 0.410 412 A N 0.967 123.820 122.820 0.055 0.000 2.340 412 A HA 0.614 4.945 4.320 0.018 0.000 0.331 412 A C -0.654 176.950 177.584 0.033 0.000 1.140 412 A CA -0.517 51.576 52.037 0.093 0.000 0.801 412 A CB 0.945 20.050 19.000 0.175 0.000 1.234 412 A HN 0.739 nan 8.150 nan 0.000 0.469 413 E N 1.633 121.854 120.200 0.036 0.000 2.299 413 E HA 0.052 4.414 4.350 0.018 0.000 0.272 413 E C -0.530 175.704 176.600 -0.611 0.000 1.043 413 E CA -0.209 56.060 56.400 -0.219 0.000 0.895 413 E CB 0.478 30.128 29.700 -0.084 0.000 1.011 413 E HN 0.518 nan 8.360 nan 0.000 0.432 414 N N 2.477 120.842 118.700 -0.558 0.000 2.518 414 N HA 0.187 4.938 4.740 0.018 0.000 0.283 414 N C -1.374 173.723 175.510 -0.688 0.000 1.119 414 N CA 0.061 52.796 53.050 -0.526 0.000 0.983 414 N CB 0.524 38.863 38.487 -0.246 0.000 1.139 414 N HN 0.272 nan 8.380 nan 0.000 0.465 415 Y N 0.156 120.414 120.300 -0.068 0.000 2.633 415 Y HA 0.373 4.934 4.550 0.018 0.000 0.339 415 Y C 0.797 176.654 175.900 -0.072 0.000 1.045 415 Y CA -0.999 57.041 58.100 -0.099 0.000 1.098 415 Y CB 0.625 39.019 38.460 -0.112 0.000 1.296 415 Y HN 0.283 nan 8.280 nan 0.000 0.494 416 K N 0.895 121.349 120.400 0.090 0.000 2.606 416 K HA 0.027 4.358 4.320 0.018 0.000 0.279 416 K C 0.387 177.007 176.600 0.034 0.000 0.961 416 K CA 0.603 56.907 56.287 0.029 0.000 1.002 416 K CB 0.319 32.824 32.500 0.008 0.000 0.871 416 K HN 0.905 nan 8.250 nan 0.000 0.508 417 S N 1.085 116.791 115.700 0.010 0.000 2.718 417 S HA 0.414 4.895 4.470 0.018 0.000 0.292 417 S C 0.585 175.185 174.600 -0.000 0.000 1.125 417 S CA -0.314 57.891 58.200 0.009 0.000 1.013 417 S CB 1.449 64.649 63.200 0.000 0.000 1.192 417 S HN 0.607 nan 8.310 nan 0.000 0.535 418 A N -0.459 122.358 122.820 -0.004 0.000 2.176 418 A HA 0.243 4.574 4.320 0.018 0.000 0.214 418 A C 0.333 177.910 177.584 -0.011 0.000 1.327 418 A CA 0.286 52.317 52.037 -0.010 0.000 1.015 418 A CB -1.670 17.323 19.000 -0.011 0.000 0.818 418 A HN 0.911 nan 8.150 nan 0.000 0.500 419 Q N -1.134 118.660 119.800 -0.010 0.000 2.447 419 Q HA -0.162 4.189 4.340 0.018 0.000 0.316 419 Q C 0.947 176.941 176.000 -0.010 0.000 1.448 419 Q CA 0.760 56.556 55.803 -0.011 0.000 0.804 419 Q CB -2.288 26.442 28.738 -0.013 0.000 1.107 419 Q HN 0.975 nan 8.270 nan 0.000 0.373 420 S N -2.039 113.655 115.700 -0.010 0.000 2.460 420 S HA 0.289 4.770 4.470 0.018 0.000 0.185 420 S C 0.917 175.511 174.600 -0.010 0.000 0.908 420 S CA 0.212 58.407 58.200 -0.010 0.000 0.894 420 S CB -0.269 62.925 63.200 -0.010 0.000 0.855 420 S HN 0.848 nan 8.310 nan 0.000 0.574 421 S N 2.520 118.214 115.700 -0.009 0.000 2.559 421 S HA 0.191 4.672 4.470 0.018 0.000 0.282 421 S C -0.442 174.151 174.600 -0.011 0.000 1.336 421 S CA -0.292 57.902 58.200 -0.010 0.000 1.037 421 S CB -0.103 63.092 63.200 -0.010 0.000 0.853 421 S HN 0.515 nan 8.310 nan 0.000 0.523 422 D N 2.162 122.556 120.400 -0.010 0.000 2.390 422 D HA 0.359 5.010 4.640 0.018 0.000 0.279 422 D C -2.421 173.872 176.300 -0.012 0.000 1.193 422 D CA -1.202 52.791 54.000 -0.011 0.000 1.112 422 D CB -1.176 39.617 40.800 -0.010 0.000 1.182 422 D HN 0.373 nan 8.370 nan 0.000 0.569 423 P HA 0.119 nan 4.420 nan 0.000 0.230 423 P C -0.841 176.451 177.300 -0.012 0.000 1.791 423 P CA -0.191 62.901 63.100 -0.013 0.000 1.020 423 P CB -0.531 31.161 31.700 -0.013 0.000 1.977 424 D N 3.267 123.659 120.400 -0.012 0.000 2.660 424 D HA -0.098 4.553 4.640 0.018 0.000 0.253 424 D C -0.838 175.456 176.300 -0.009 0.000 1.256 424 D CA -0.773 53.220 54.000 -0.011 0.000 0.914 424 D CB 0.616 41.409 40.800 -0.012 0.000 1.137 424 D HN 0.259 nan 8.370 nan 0.000 0.542 425 P HA -0.005 nan 4.420 nan 0.000 0.240 425 P C -0.008 177.291 177.300 -0.001 0.000 1.190 425 P CA 0.420 63.517 63.100 -0.006 0.000 0.781 425 P CB 0.383 32.080 31.700 -0.006 0.000 0.931 426 N N -1.039 117.661 118.700 0.001 0.000 2.467 426 N HA 0.071 4.822 4.740 0.018 0.000 0.278 426 N C 1.056 176.573 175.510 0.012 0.000 1.306 426 N CA -0.216 52.840 53.050 0.009 0.000 0.905 426 N CB -0.500 37.994 38.487 0.012 0.000 1.236 426 N HN 0.008 nan 8.380 nan 0.000 0.509 427 c N -0.821 117.780 118.600 0.002 0.000 2.422 427 c HA 0.000 4.581 4.570 0.018 0.000 0.279 427 c C 2.164 176.255 174.090 0.002 0.000 1.305 427 c CA 0.698 57.023 56.329 -0.007 0.000 1.757 427 c CB -0.769 41.726 42.510 -0.025 0.000 1.962 427 c HN 0.315 nan 8.230 nan 0.000 0.499 428 V N 0.984 120.905 119.914 0.012 0.000 2.759 428 V HA -0.081 4.051 4.120 0.018 0.000 0.256 428 V C 1.618 177.740 176.094 0.048 0.000 1.080 428 V CA 2.214 64.526 62.300 0.021 0.000 1.101 428 V CB -0.567 31.269 31.823 0.021 0.000 0.698 428 V HN 0.602 nan 8.190 nan 0.000 0.477 429 D N -0.674 119.769 120.400 0.072 0.000 2.433 429 D HA 0.102 4.753 4.640 0.018 0.000 0.211 429 D C 1.027 177.434 176.300 0.179 0.000 1.114 429 D CA -0.160 53.930 54.000 0.150 0.000 0.837 429 D CB 0.357 41.233 40.800 0.127 0.000 0.984 429 D HN 0.321 nan 8.370 nan 0.000 0.505 430 R N 2.551 123.110 120.500 0.099 0.000 2.242 430 R HA 0.208 4.559 4.340 0.018 0.000 0.334 430 R C -2.533 173.818 176.300 0.085 0.000 1.071 430 R CA -1.258 54.877 56.100 0.059 0.000 0.922 430 R CB 0.501 30.812 30.300 0.019 0.000 1.023 430 R HN -0.252 nan 8.270 nan 0.000 0.458 431 P HA -0.138 nan 4.420 nan 0.000 0.264 431 P C -0.490 176.844 177.300 0.058 0.000 1.179 431 P CA -0.086 63.059 63.100 0.075 0.000 0.763 431 P CB 0.418 32.073 31.700 -0.075 0.000 0.806 432 V N 0.263 120.230 119.914 0.088 0.000 2.775 432 V HA 0.219 4.350 4.120 0.018 0.000 0.299 432 V C 0.748 176.866 176.094 0.039 0.000 1.062 432 V CA 0.122 62.458 62.300 0.060 0.000 1.063 432 V CB 0.705 32.585 31.823 0.095 0.000 0.994 432 V HN 0.487 nan 8.190 nan 0.000 0.483 433 E N 2.609 122.836 120.200 0.046 0.000 2.526 433 E HA 0.476 4.837 4.350 0.018 0.000 0.208 433 E C 0.814 177.429 176.600 0.025 0.000 0.997 433 E CA 0.447 56.863 56.400 0.026 0.000 0.961 433 E CB 0.829 30.543 29.700 0.022 0.000 1.030 433 E HN 1.439 nan 8.360 nan 0.000 0.483 434 G N 0.942 109.789 108.800 0.077 0.000 2.746 434 G HA2 -0.213 3.758 3.960 0.018 0.000 0.685 434 G HA3 -0.213 3.758 3.960 0.018 0.000 0.685 434 G C -0.852 174.119 174.900 0.118 0.000 1.350 434 G CA -0.457 44.652 45.100 0.015 0.000 0.837 434 G HN 0.162 nan 8.290 nan 0.000 0.564 435 Y N -2.121 118.150 120.300 -0.049 0.000 2.633 435 Y HA 0.874 5.436 4.550 0.019 0.000 0.339 435 Y C -0.447 175.341 175.900 -0.187 0.000 1.045 435 Y CA -2.108 55.904 58.100 -0.146 0.000 1.098 435 Y CB 1.080 39.383 38.460 -0.262 0.000 1.296 435 Y HN 0.588 nan 8.280 nan 0.000 0.494 436 L N 2.226 123.404 121.223 -0.075 0.000 2.307 436 L HA 0.742 5.093 4.340 0.018 0.000 0.284 436 L C -0.076 176.744 176.870 -0.084 0.000 1.023 436 L CA -1.304 53.407 54.840 -0.214 0.000 0.810 436 L CB 1.090 42.995 42.059 -0.257 0.000 1.231 436 L HN 0.932 nan 8.230 nan 0.000 0.423 437 A N 4.310 127.076 122.820 -0.090 0.000 2.309 437 A HA 0.655 4.986 4.320 0.018 0.000 0.290 437 A C -0.219 177.404 177.584 0.065 0.000 1.206 437 A CA -0.322 51.733 52.037 0.030 0.000 0.850 437 A CB 0.399 19.404 19.000 0.009 0.000 1.118 437 A HN 0.687 nan 8.150 nan 0.000 0.523 438 V N -0.642 119.327 119.914 0.092 0.000 3.074 438 V HA 0.960 5.091 4.120 0.018 0.000 0.314 438 V C -0.054 176.116 176.094 0.128 0.000 1.117 438 V CA -0.534 61.814 62.300 0.081 0.000 1.014 438 V CB 1.710 33.553 31.823 0.034 0.000 1.057 438 V HN 1.586 nan 8.190 nan 0.000 0.438 439 A N 2.237 125.110 122.820 0.089 0.000 2.285 439 A HA 0.815 5.147 4.320 0.018 0.000 0.310 439 A C -0.558 177.014 177.584 -0.020 0.000 1.266 439 A CA -0.546 51.506 52.037 0.026 0.000 0.832 439 A CB 0.738 19.858 19.000 0.201 0.000 1.163 439 A HN 1.315 nan 8.150 nan 0.000 0.499 440 V N 2.884 122.755 119.914 -0.071 0.000 2.547 440 V HA 0.748 4.879 4.120 0.018 0.000 0.299 440 V C 0.265 176.369 176.094 0.016 0.000 1.040 440 V CA -0.441 61.872 62.300 0.021 0.000 0.913 440 V CB 1.229 33.094 31.823 0.070 0.000 0.992 440 V HN 1.136 nan 8.190 nan 0.000 0.449 441 V N 1.445 121.434 119.914 0.125 0.000 3.188 441 V HA 0.670 4.801 4.120 0.018 0.000 0.305 441 V C -0.568 175.664 176.094 0.230 0.000 1.232 441 V CA -1.391 60.984 62.300 0.124 0.000 1.043 441 V CB 2.112 33.974 31.823 0.066 0.000 1.068 441 V HN 0.797 nan 8.190 nan 0.000 0.439 442 R N 1.219 121.805 120.500 0.143 0.000 2.491 442 R HA 0.377 4.728 4.340 0.018 0.000 0.283 442 R C 1.373 177.654 176.300 -0.033 0.000 1.072 442 R CA -0.416 55.679 56.100 -0.008 0.000 1.048 442 R CB 0.653 30.923 30.300 -0.049 0.000 0.983 442 R HN 0.791 nan 8.270 nan 0.000 0.450 443 R N 1.671 122.108 120.500 -0.104 0.000 2.105 443 R HA -0.160 4.191 4.340 0.018 0.000 0.239 443 R C 1.188 177.460 176.300 -0.047 0.000 1.135 443 R CA 2.040 58.103 56.100 -0.061 0.000 0.967 443 R CB -0.088 30.159 30.300 -0.089 0.000 0.861 443 R HN 0.632 nan 8.270 nan 0.000 0.442 444 S N 0.960 116.620 115.700 -0.067 0.000 2.402 444 S HA -0.130 4.351 4.470 0.018 0.000 0.233 444 S C 0.864 175.452 174.600 -0.021 0.000 1.030 444 S CA 1.103 59.276 58.200 -0.044 0.000 1.003 444 S CB -0.231 62.938 63.200 -0.052 0.000 0.813 444 S HN 0.374 nan 8.310 nan 0.000 0.477 445 D N 2.292 122.684 120.400 -0.014 0.000 2.948 445 D HA 0.038 4.689 4.640 0.018 0.000 0.241 445 D C 1.299 177.606 176.300 0.011 0.000 1.198 445 D CA 0.308 54.310 54.000 0.003 0.000 0.926 445 D CB -0.089 40.717 40.800 0.010 0.000 1.151 445 D HN 0.543 nan 8.370 nan 0.000 0.441 446 T N -2.565 111.993 114.554 0.006 0.000 2.755 446 T HA -0.313 4.048 4.350 0.018 0.000 0.266 446 T C 1.923 176.634 174.700 0.018 0.000 1.041 446 T CA 1.892 63.998 62.100 0.010 0.000 1.147 446 T CB -0.250 68.620 68.868 0.004 0.000 0.847 446 T HN 0.221 nan 8.240 nan 0.000 0.478 447 S N 0.131 115.843 115.700 0.019 0.000 2.528 447 S HA 0.243 4.724 4.470 0.018 0.000 0.219 447 S C 0.699 175.319 174.600 0.032 0.000 0.985 447 S CA -0.601 57.613 58.200 0.023 0.000 0.914 447 S CB -0.410 62.800 63.200 0.018 0.000 0.776 447 S HN 0.304 nan 8.310 nan 0.000 0.526 448 L N 4.178 125.423 121.223 0.038 0.000 2.418 448 L HA 0.453 4.805 4.340 0.018 0.000 0.274 448 L C 0.622 177.538 176.870 0.075 0.000 1.135 448 L CA 0.722 55.594 54.840 0.053 0.000 0.870 448 L CB 0.229 42.318 42.059 0.051 0.000 1.154 448 L HN 0.608 nan 8.230 nan 0.000 0.462 449 T N 0.816 115.424 114.554 0.090 0.000 2.742 449 T HA 0.215 4.576 4.350 0.018 0.000 0.282 449 T C 0.948 175.776 174.700 0.213 0.000 1.025 449 T CA -0.617 61.567 62.100 0.140 0.000 1.020 449 T CB 0.565 69.504 68.868 0.118 0.000 1.317 449 T HN 0.624 nan 8.240 nan 0.000 0.538 450 W N 1.277 122.610 121.300 0.055 0.000 2.335 450 W HA -0.203 4.467 4.660 0.017 0.000 0.311 450 W C 1.519 178.076 176.519 0.063 0.000 1.213 450 W CA 1.638 59.029 57.345 0.077 0.000 1.274 450 W CB -0.415 29.084 29.460 0.065 0.000 1.148 450 W HN 0.675 nan 8.180 nan 0.000 0.498 451 N N 0.491 119.253 118.700 0.102 0.000 2.184 451 N HA -0.188 4.564 4.740 0.018 0.000 0.190 451 N C 1.315 176.765 175.510 -0.098 0.000 1.011 451 N CA 2.086 55.121 53.050 -0.025 0.000 0.867 451 N CB -0.723 37.789 38.487 0.043 0.000 0.993 451 N HN 0.133 nan 8.380 nan 0.000 0.433 452 S N -0.990 114.674 115.700 -0.060 0.000 2.668 452 S HA 0.276 4.757 4.470 0.018 0.000 0.244 452 S C 0.830 175.406 174.600 -0.040 0.000 1.140 452 S CA -0.662 57.502 58.200 -0.060 0.000 1.134 452 S CB 0.361 63.551 63.200 -0.017 0.000 0.954 452 S HN -0.012 nan 8.310 nan 0.000 0.490 453 V N 1.627 121.485 119.914 -0.093 0.000 2.535 453 V HA 0.165 4.296 4.120 0.018 0.000 0.246 453 V C 0.683 176.844 176.094 0.110 0.000 1.045 453 V CA 1.019 63.337 62.300 0.030 0.000 1.058 453 V CB -0.407 31.422 31.823 0.011 0.000 0.689 453 V HN 0.603 nan 8.190 nan 0.000 0.461 454 K N 0.656 120.986 120.400 -0.117 0.000 2.524 454 K HA 0.331 4.662 4.320 0.018 0.000 0.279 454 K C 1.078 177.633 176.600 -0.074 0.000 0.993 454 K CA 0.844 56.983 56.287 -0.247 0.000 1.030 454 K CB -0.083 32.207 32.500 -0.349 0.000 0.891 454 K HN 0.482 nan 8.250 nan 0.000 0.488 455 G N 1.366 110.135 108.800 -0.053 0.000 2.179 455 G HA2 -0.299 3.672 3.960 0.018 0.000 0.260 455 G HA3 -0.299 3.672 3.960 0.018 0.000 0.260 455 G C 0.090 175.096 174.900 0.176 0.000 0.977 455 G CA 0.505 45.642 45.100 0.063 0.000 0.641 455 G HN 0.501 nan 8.290 nan 0.000 0.533 456 K N 0.102 120.685 120.400 0.305 0.000 2.646 456 K HA 0.705 5.036 4.320 0.018 0.000 0.270 456 K C 0.594 177.363 176.600 0.282 0.000 1.026 456 K CA -0.372 56.065 56.287 0.251 0.000 1.043 456 K CB 0.446 33.063 32.500 0.194 0.000 1.383 456 K HN 0.169 nan 8.250 nan 0.000 0.513 457 K N 0.590 121.067 120.400 0.128 0.000 2.185 457 K HA 0.329 4.660 4.320 0.018 0.000 0.269 457 K C -0.829 175.714 176.600 -0.095 0.000 0.987 457 K CA -0.565 55.758 56.287 0.061 0.000 0.865 457 K CB 1.596 34.123 32.500 0.045 0.000 1.090 457 K HN 0.627 nan 8.250 nan 0.000 0.450 458 S N 0.733 116.321 115.700 -0.188 0.000 2.568 458 S HA 0.580 5.061 4.470 0.018 0.000 0.302 458 S C -0.516 174.005 174.600 -0.132 0.000 1.082 458 S CA -0.851 57.137 58.200 -0.353 0.000 1.009 458 S CB 1.135 63.832 63.200 -0.838 0.000 1.069 458 S HN 0.607 nan 8.310 nan 0.000 0.500 459 c N 2.950 121.419 118.600 -0.218 0.000 2.340 459 c HA 0.669 5.250 4.570 0.018 0.000 0.323 459 c C -0.330 173.707 174.090 -0.088 0.000 1.260 459 c CA -0.570 55.702 56.329 -0.096 0.000 1.464 459 c CB -0.290 42.089 42.510 -0.218 0.000 2.156 459 c HN 0.916 nan 8.230 nan 0.000 0.476 460 H N 0.986 120.141 119.070 0.142 0.000 2.622 460 H HA 0.262 4.829 4.556 0.018 0.000 0.363 460 H C 0.939 176.332 175.328 0.108 0.000 1.151 460 H CA -0.036 56.141 56.048 0.215 0.000 1.184 460 H CB 2.166 32.111 29.762 0.305 0.000 1.643 460 H HN 0.710 nan 8.280 nan 0.000 0.531 461 T N 0.177 114.831 114.554 0.167 0.000 2.684 461 T HA 0.099 4.460 4.350 0.018 0.000 0.267 461 T C 0.821 175.467 174.700 -0.089 0.000 1.036 461 T CA 0.889 62.942 62.100 -0.078 0.000 1.148 461 T CB 0.142 68.861 68.868 -0.249 0.000 0.863 461 T HN 0.750 nan 8.240 nan 0.000 0.436 462 A N -0.646 122.214 122.820 0.067 0.000 2.549 462 A HA 0.538 4.869 4.320 0.018 0.000 0.297 462 A C -0.740 176.846 177.584 0.003 0.000 0.983 462 A CA -0.343 51.748 52.037 0.089 0.000 0.654 462 A CB 0.646 19.759 19.000 0.189 0.000 1.319 462 A HN 0.792 nan 8.150 nan 0.000 0.428 463 V N 1.770 121.542 119.914 -0.237 0.000 2.599 463 V HA 0.425 4.556 4.120 0.018 0.000 0.300 463 V C 0.490 176.222 176.094 -0.603 0.000 1.034 463 V CA 1.980 63.762 62.300 -0.862 0.000 1.115 463 V CB 0.131 31.288 31.823 -1.111 0.000 0.934 463 V HN 1.140 nan 8.190 nan 0.000 0.485 464 D N 3.160 123.129 120.400 -0.718 0.000 3.070 464 D HA -0.133 4.518 4.640 0.018 0.000 0.210 464 D C 0.351 176.467 176.300 -0.307 0.000 1.103 464 D CA 0.933 54.724 54.000 -0.349 0.000 0.980 464 D CB -0.730 39.911 40.800 -0.265 0.000 1.100 464 D HN 0.754 nan 8.370 nan 0.000 0.423 465 R N -0.001 120.380 120.500 -0.199 0.000 2.536 465 R HA 0.459 4.811 4.340 0.018 0.000 0.279 465 R C 1.563 177.909 176.300 0.076 0.000 1.001 465 R CA -0.323 55.661 56.100 -0.194 0.000 1.027 465 R CB 0.891 31.077 30.300 -0.189 0.000 1.096 465 R HN -0.107 nan 8.270 nan 0.000 0.502 466 T N 1.304 115.943 114.554 0.142 0.000 2.545 466 T HA -0.229 4.132 4.350 0.018 0.000 0.261 466 T C 1.841 176.651 174.700 0.182 0.000 1.097 466 T CA 1.883 64.100 62.100 0.195 0.000 1.189 466 T CB -0.281 68.653 68.868 0.110 0.000 0.863 466 T HN 0.744 nan 8.240 nan 0.000 0.405 467 A N 1.325 124.301 122.820 0.261 0.000 1.902 467 A HA 0.124 4.455 4.320 0.018 0.000 0.217 467 A C 2.625 180.361 177.584 0.254 0.000 1.181 467 A CA 1.893 54.090 52.037 0.267 0.000 0.623 467 A CB -1.377 17.880 19.000 0.427 0.000 0.818 467 A HN 0.551 nan 8.150 nan 0.000 0.443 468 G N -2.966 105.987 108.800 0.256 0.000 2.484 468 G HA2 -0.073 3.898 3.960 0.018 0.000 0.218 468 G HA3 -0.073 3.898 3.960 0.018 0.000 0.218 468 G C 1.226 176.390 174.900 0.439 0.000 1.130 468 G CA 1.091 46.373 45.100 0.304 0.000 0.784 468 G HN 0.661 nan 8.290 nan 0.000 0.543 469 W N -0.544 120.797 121.300 0.069 0.000 5.276 469 W HA 0.058 4.728 4.660 0.016 0.000 0.176 469 W C 1.437 177.909 176.519 -0.078 0.000 1.298 469 W CA 0.240 57.577 57.345 -0.013 0.000 2.054 469 W CB -0.454 28.947 29.460 -0.099 0.000 0.717 469 W HN 0.060 nan 8.180 nan 0.000 1.057 470 N N 1.952 120.747 118.700 0.158 0.000 2.060 470 N HA -0.216 4.535 4.740 0.018 0.000 0.195 470 N C 1.683 177.196 175.510 0.005 0.000 1.028 470 N CA 2.741 55.830 53.050 0.065 0.000 0.861 470 N CB -0.914 37.686 38.487 0.188 0.000 1.029 470 N HN 0.263 nan 8.380 nan 0.000 0.428 471 I N 1.170 121.770 120.570 0.051 0.000 2.110 471 I HA -0.172 4.009 4.170 0.018 0.000 0.236 471 I C -0.685 175.428 176.117 -0.007 0.000 1.068 471 I CA 1.106 62.428 61.300 0.037 0.000 1.333 471 I CB -1.387 36.636 38.000 0.037 0.000 1.054 471 I HN 0.138 nan 8.210 nan 0.000 0.402 472 P HA -0.182 nan 4.420 nan 0.000 0.214 472 P C 1.748 179.016 177.300 -0.052 0.000 1.163 472 P CA 1.819 64.839 63.100 -0.133 0.000 0.883 472 P CB -0.182 31.054 31.700 -0.774 0.000 0.788 473 M N -0.790 118.652 119.600 -0.264 0.000 2.175 473 M HA 0.008 4.499 4.480 0.018 0.000 0.264 473 M C 2.418 178.733 176.300 0.024 0.000 1.063 473 M CA 1.780 56.907 55.300 -0.289 0.000 1.119 473 M CB -2.458 29.449 32.600 -1.156 0.000 1.377 473 M HN -0.005 nan 8.290 nan 0.000 0.415 474 G N 0.517 109.309 108.800 -0.014 0.000 2.433 474 G HA2 -0.165 3.806 3.960 0.018 0.000 0.216 474 G HA3 -0.165 3.806 3.960 0.018 0.000 0.216 474 G C 1.734 176.778 174.900 0.239 0.000 1.186 474 G CA 0.583 45.771 45.100 0.146 0.000 0.779 474 G HN 0.398 nan 8.290 nan 0.000 0.543 475 L N 0.063 121.404 121.223 0.196 0.000 2.012 475 L HA -0.066 4.285 4.340 0.018 0.000 0.210 475 L C 2.963 179.974 176.870 0.235 0.000 1.073 475 L CA 0.744 55.721 54.840 0.228 0.000 0.748 475 L CB -0.422 41.809 42.059 0.285 0.000 0.891 475 L HN 0.197 nan 8.230 nan 0.000 0.431 476 L N -1.409 119.953 121.223 0.232 0.000 2.083 476 L HA -0.242 4.109 4.340 0.018 0.000 0.209 476 L C 2.581 179.501 176.870 0.083 0.000 1.083 476 L CA 1.214 56.090 54.840 0.061 0.000 0.752 476 L CB -0.619 41.404 42.059 -0.060 0.000 0.899 476 L HN 0.226 nan 8.230 nan 0.000 0.433 477 F N 1.436 121.500 119.950 0.190 0.000 2.186 477 F HA -0.187 4.349 4.527 0.014 0.000 0.299 477 F C 2.110 177.971 175.800 0.101 0.000 1.090 477 F CA 1.587 59.733 58.000 0.243 0.000 1.307 477 F CB -0.357 38.865 39.000 0.369 0.000 1.019 477 F HN 0.059 nan 8.300 nan 0.000 0.489 478 N N -0.170 118.533 118.700 0.004 0.000 2.512 478 N HA -0.124 4.627 4.740 0.018 0.000 0.183 478 N C 1.429 176.865 175.510 -0.123 0.000 1.073 478 N CA 0.915 53.915 53.050 -0.083 0.000 0.911 478 N CB -0.025 38.503 38.487 0.069 0.000 0.964 478 N HN 0.513 nan 8.380 nan 0.000 0.447 479 Q N -2.127 117.601 119.800 -0.121 0.000 2.376 479 Q HA 0.113 4.464 4.340 0.018 0.000 0.206 479 Q C 0.733 176.629 176.000 -0.173 0.000 0.921 479 Q CA 1.247 56.975 55.803 -0.126 0.000 0.911 479 Q CB 0.704 29.374 28.738 -0.113 0.000 1.032 479 Q HN 0.424 nan 8.270 nan 0.000 0.510 480 T N -5.565 108.850 114.554 -0.231 0.000 3.130 480 T HA 0.277 4.638 4.350 0.018 0.000 0.288 480 T C 1.262 175.812 174.700 -0.251 0.000 0.936 480 T CA 0.191 62.164 62.100 -0.212 0.000 0.897 480 T CB 0.711 69.455 68.868 -0.206 0.000 1.178 480 T HN 0.263 nan 8.240 nan 0.000 0.543 481 G N 1.818 110.349 108.800 -0.448 0.000 2.309 481 G HA2 -0.281 3.690 3.960 0.018 0.000 0.286 481 G HA3 -0.281 3.690 3.960 0.018 0.000 0.286 481 G C 0.175 174.931 174.900 -0.241 0.000 1.002 481 G CA 0.669 45.395 45.100 -0.622 0.000 0.786 481 G HN 1.061 nan 8.290 nan 0.000 0.511 482 S N -1.810 113.838 115.700 -0.086 0.000 2.562 482 S HA 0.411 4.892 4.470 0.018 0.000 0.275 482 S C 1.385 176.056 174.600 0.118 0.000 1.281 482 S CA 0.020 58.247 58.200 0.045 0.000 1.045 482 S CB 1.104 64.337 63.200 0.054 0.000 0.962 482 S HN 0.515 nan 8.310 nan 0.000 0.503 483 c N 3.668 122.229 118.600 -0.065 0.000 2.791 483 c HA 0.354 4.935 4.570 0.018 0.000 0.270 483 c C 1.182 174.903 174.090 -0.614 0.000 1.257 483 c CA -0.335 55.731 56.329 -0.438 0.000 1.699 483 c CB -1.160 41.228 42.510 -0.203 0.000 1.904 483 c HN 0.763 nan 8.230 nan 0.000 0.603 484 K N 1.431 121.669 120.400 -0.270 0.000 2.278 484 K HA 0.121 4.452 4.320 0.018 0.000 0.237 484 K C 0.215 176.729 176.600 -0.142 0.000 1.229 484 K CA -0.204 56.000 56.287 -0.138 0.000 1.155 484 K CB -0.180 32.316 32.500 -0.007 0.000 1.590 484 K HN 0.362 nan 8.250 nan 0.000 0.290 485 F N 1.082 120.921 119.950 -0.185 0.000 2.307 485 F HA -0.195 4.342 4.527 0.017 0.000 0.301 485 F C 1.869 177.528 175.800 -0.236 0.000 1.076 485 F CA 1.025 58.707 58.000 -0.531 0.000 1.383 485 F CB -0.235 38.538 39.000 -0.379 0.000 1.055 485 F HN 0.440 nan 8.300 nan 0.000 0.526 486 D N -0.093 120.378 120.400 0.119 0.000 2.336 486 D HA -0.090 4.561 4.640 0.018 0.000 0.229 486 D C 0.807 177.200 176.300 0.155 0.000 1.061 486 D CA 0.462 54.553 54.000 0.152 0.000 0.875 486 D CB -0.589 40.291 40.800 0.134 0.000 0.904 486 D HN 0.431 nan 8.370 nan 0.000 0.525 487 E N -0.811 119.486 120.200 0.161 0.000 2.526 487 E HA 0.012 4.373 4.350 0.018 0.000 0.208 487 E C 0.713 177.455 176.600 0.236 0.000 0.997 487 E CA -0.301 56.202 56.400 0.173 0.000 0.961 487 E CB 0.024 29.802 29.700 0.129 0.000 1.030 487 E HN 0.147 nan 8.360 nan 0.000 0.483 488 Y N 0.273 120.527 120.300 -0.077 0.000 2.274 488 Y HA -0.025 4.535 4.550 0.017 0.000 0.290 488 Y C 0.645 176.139 175.900 -0.676 0.000 1.145 488 Y CA 0.456 58.321 58.100 -0.393 0.000 1.203 488 Y CB -0.076 38.065 38.460 -0.532 0.000 0.984 488 Y HN -0.097 nan 8.280 nan 0.000 0.533 489 F N -1.882 118.218 119.950 0.249 0.000 2.588 489 F HA 0.268 4.806 4.527 0.018 0.000 0.310 489 F C 1.231 177.115 175.800 0.140 0.000 1.082 489 F CA -0.807 57.298 58.000 0.176 0.000 0.929 489 F CB 1.203 40.334 39.000 0.218 0.000 1.254 489 F HN -0.313 nan 8.300 nan 0.000 0.455 490 S N 1.383 117.259 115.700 0.293 0.000 2.353 490 S HA -0.091 4.391 4.470 0.018 0.000 0.222 490 S C 0.255 174.974 174.600 0.198 0.000 1.035 490 S CA 1.172 59.486 58.200 0.191 0.000 1.025 490 S CB -0.236 63.048 63.200 0.140 0.000 0.902 490 S HN 0.712 nan 8.310 nan 0.000 0.440 491 Q N -0.595 119.333 119.800 0.213 0.000 2.456 491 Q HA 0.742 5.094 4.340 0.018 0.000 0.284 491 Q C -1.481 174.633 176.000 0.190 0.000 1.061 491 Q CA -0.769 55.141 55.803 0.178 0.000 0.799 491 Q CB 2.517 31.331 28.738 0.127 0.000 1.445 491 Q HN 0.419 nan 8.270 nan 0.000 0.411 492 S N -0.227 115.583 115.700 0.183 0.000 2.688 492 S HA 0.530 5.011 4.470 0.018 0.000 0.275 492 S C -1.626 173.089 174.600 0.190 0.000 1.175 492 S CA -0.643 57.675 58.200 0.197 0.000 0.818 492 S CB 1.686 65.053 63.200 0.278 0.000 1.157 492 S HN 0.710 nan 8.310 nan 0.000 0.482 493 c N 2.190 120.927 118.600 0.228 0.000 2.534 493 c HA 0.804 5.385 4.570 0.018 0.000 0.309 493 c C -0.312 173.951 174.090 0.288 0.000 1.072 493 c CA -0.119 56.349 56.329 0.233 0.000 1.441 493 c CB -1.150 41.526 42.510 0.276 0.000 1.906 493 c HN 0.915 nan 8.230 nan 0.000 0.429 494 A N 7.262 130.214 122.820 0.219 0.000 2.842 494 A HA 0.649 4.980 4.320 0.018 0.000 0.339 494 A C -2.782 174.847 177.584 0.075 0.000 1.177 494 A CA -1.088 51.043 52.037 0.158 0.000 0.797 494 A CB 0.174 19.205 19.000 0.052 0.000 1.094 494 A HN 0.645 nan 8.150 nan 0.000 0.474 495 P HA 0.221 nan 4.420 nan 0.000 0.263 495 P C 1.138 178.466 177.300 0.046 0.000 1.175 495 P CA 2.186 65.366 63.100 0.133 0.000 0.761 495 P CB 0.638 32.512 31.700 0.290 0.000 0.794 496 G N 0.970 109.772 108.800 0.003 0.000 2.144 496 G HA2 -0.183 3.788 3.960 0.018 0.000 0.218 496 G HA3 -0.183 3.788 3.960 0.018 0.000 0.218 496 G C 0.359 175.200 174.900 -0.098 0.000 0.988 496 G CA -0.065 45.005 45.100 -0.049 0.000 0.659 496 G HN 0.570 nan 8.290 nan 0.000 0.522 497 S N -0.475 115.175 115.700 -0.082 0.000 2.745 497 S HA 0.545 5.026 4.470 0.018 0.000 0.292 497 S C -0.263 174.318 174.600 -0.031 0.000 1.127 497 S CA -0.481 57.672 58.200 -0.079 0.000 1.007 497 S CB 1.458 64.626 63.200 -0.053 0.000 1.165 497 S HN 0.346 nan 8.310 nan 0.000 0.544 498 D N 1.719 122.111 120.400 -0.013 0.000 2.343 498 D HA 0.147 4.798 4.640 0.018 0.000 0.255 498 D C -1.711 174.595 176.300 0.011 0.000 1.187 498 D CA -1.736 52.263 54.000 -0.001 0.000 0.875 498 D CB 1.164 41.968 40.800 0.006 0.000 1.136 498 D HN 0.053 nan 8.370 nan 0.000 0.469 499 P HA -0.060 nan 4.420 nan 0.000 0.228 499 P C 0.587 177.899 177.300 0.019 0.000 1.151 499 P CA 0.522 63.629 63.100 0.013 0.000 0.770 499 P CB 0.210 31.911 31.700 0.002 0.000 0.786 500 A N -0.471 122.360 122.820 0.018 0.000 2.195 500 A HA 0.146 4.477 4.320 0.018 0.000 0.210 500 A C 1.310 178.913 177.584 0.032 0.000 1.165 500 A CA 0.281 52.331 52.037 0.022 0.000 0.806 500 A CB -0.695 18.315 19.000 0.016 0.000 0.847 500 A HN 0.326 nan 8.150 nan 0.000 0.482 501 S N -0.321 115.402 115.700 0.039 0.000 2.603 501 S HA 0.170 4.651 4.470 0.018 0.000 0.268 501 S C 0.630 175.272 174.600 0.070 0.000 1.317 501 S CA 0.106 58.339 58.200 0.054 0.000 1.012 501 S CB 0.415 63.650 63.200 0.058 0.000 0.926 501 S HN 0.388 nan 8.310 nan 0.000 0.539 502 N N 1.127 119.880 118.700 0.087 0.000 2.166 502 N HA -0.016 4.735 4.740 0.018 0.000 0.186 502 N C 1.396 176.984 175.510 0.131 0.000 1.019 502 N CA 1.230 54.345 53.050 0.109 0.000 0.856 502 N CB -0.588 37.971 38.487 0.119 0.000 0.993 502 N HN 0.567 nan 8.380 nan 0.000 0.426 503 L N -0.445 120.857 121.223 0.133 0.000 2.450 503 L HA -0.107 4.244 4.340 0.018 0.000 0.224 503 L C 0.677 177.620 176.870 0.123 0.000 1.149 503 L CA 0.448 55.375 54.840 0.146 0.000 0.816 503 L CB -0.172 41.969 42.059 0.136 0.000 0.932 503 L HN 0.403 nan 8.230 nan 0.000 0.449 504 c N -1.751 116.909 118.600 0.099 0.000 3.491 504 c HA 0.338 4.919 4.570 0.018 0.000 0.298 504 c C 2.499 176.640 174.090 0.085 0.000 1.424 504 c CA -0.258 56.123 56.329 0.087 0.000 1.772 504 c CB -0.231 42.313 42.510 0.056 0.000 2.447 504 c HN 0.509 nan 8.230 nan 0.000 0.670 505 A N 0.992 123.867 122.820 0.092 0.000 2.070 505 A HA -0.025 4.306 4.320 0.018 0.000 0.220 505 A C 1.707 179.340 177.584 0.083 0.000 1.159 505 A CA 1.389 53.473 52.037 0.079 0.000 0.656 505 A CB -0.366 18.683 19.000 0.082 0.000 0.800 505 A HN 0.665 nan 8.150 nan 0.000 0.453 506 L N -0.898 120.393 121.223 0.114 0.000 2.640 506 L HA 0.121 4.472 4.340 0.018 0.000 0.230 506 L C 0.082 177.055 176.870 0.172 0.000 1.123 506 L CA -0.684 54.243 54.840 0.145 0.000 0.900 506 L CB -0.337 41.824 42.059 0.171 0.000 1.146 506 L HN 0.220 nan 8.230 nan 0.000 0.484 507 c N 1.371 120.041 118.600 0.116 0.000 2.644 507 c HA 0.148 4.729 4.570 0.018 0.000 0.417 507 c C 1.958 175.978 174.090 -0.118 0.000 1.304 507 c CA -0.591 55.771 56.329 0.054 0.000 2.035 507 c CB 0.334 42.886 42.510 0.070 0.000 2.673 507 c HN 0.498 nan 8.230 nan 0.000 0.602 508 I N 0.464 120.823 120.570 -0.352 0.000 4.018 508 I HA 0.476 4.657 4.170 0.018 0.000 0.337 508 I C 0.942 176.923 176.117 -0.226 0.000 1.327 508 I CA 0.607 61.705 61.300 -0.337 0.000 1.100 508 I CB -0.663 36.986 38.000 -0.586 0.000 1.025 508 I HN 0.895 nan 8.210 nan 0.000 0.396 509 G N 2.816 111.511 108.800 -0.175 0.000 2.741 509 G HA2 -0.255 3.716 3.960 0.018 0.000 0.222 509 G HA3 -0.255 3.716 3.960 0.018 0.000 0.222 509 G C -0.608 174.231 174.900 -0.102 0.000 1.364 509 G CA 0.014 45.052 45.100 -0.104 0.000 0.866 509 G HN 0.751 nan 8.290 nan 0.000 0.555 510 D N -0.667 119.695 120.400 -0.063 0.000 2.447 510 D HA 0.432 5.083 4.640 0.018 0.000 0.265 510 D C 1.248 177.521 176.300 -0.045 0.000 1.250 510 D CA 0.011 53.985 54.000 -0.043 0.000 1.046 510 D CB 0.159 40.944 40.800 -0.025 0.000 1.095 510 D HN 0.532 nan 8.370 nan 0.000 0.555 511 E N -1.110 119.076 120.200 -0.023 0.000 2.339 511 E HA -0.184 4.177 4.350 0.018 0.000 0.201 511 E C 0.934 177.526 176.600 -0.014 0.000 1.015 511 E CA 1.241 57.634 56.400 -0.012 0.000 0.841 511 E CB 0.083 29.788 29.700 0.008 0.000 0.754 511 E HN 0.395 nan 8.360 nan 0.000 0.508 512 E N -2.178 118.011 120.200 -0.018 0.000 2.473 512 E HA 0.191 4.552 4.350 0.018 0.000 0.204 512 E C 1.091 177.676 176.600 -0.024 0.000 0.994 512 E CA 0.624 57.014 56.400 -0.017 0.000 0.945 512 E CB 0.978 30.671 29.700 -0.012 0.000 0.990 512 E HN 0.236 nan 8.360 nan 0.000 0.493 513 G N 1.741 110.519 108.800 -0.036 0.000 2.131 513 G HA2 -0.199 3.772 3.960 0.018 0.000 0.223 513 G HA3 -0.199 3.772 3.960 0.018 0.000 0.223 513 G C 0.203 175.079 174.900 -0.040 0.000 0.990 513 G CA 0.076 45.149 45.100 -0.045 0.000 0.671 513 G HN 0.120 nan 8.290 nan 0.000 0.521 514 E N -0.189 119.990 120.200 -0.035 0.000 2.446 514 E HA 0.437 4.798 4.350 0.018 0.000 0.251 514 E C 1.060 177.638 176.600 -0.037 0.000 1.087 514 E CA -0.540 55.841 56.400 -0.031 0.000 0.937 514 E CB 0.288 29.973 29.700 -0.025 0.000 1.254 514 E HN 0.142 nan 8.360 nan 0.000 0.479 515 N N 0.170 118.849 118.700 -0.035 0.000 2.741 515 N HA -0.177 4.574 4.740 0.018 0.000 0.251 515 N C -0.812 174.674 175.510 -0.039 0.000 1.112 515 N CA 0.832 53.858 53.050 -0.040 0.000 0.750 515 N CB -0.931 37.531 38.487 -0.043 0.000 1.119 515 N HN 0.275 nan 8.380 nan 0.000 0.561 516 K N -0.098 120.281 120.400 -0.035 0.000 2.489 516 K HA 0.087 4.418 4.320 0.018 0.000 0.278 516 K C 1.158 177.750 176.600 -0.014 0.000 1.000 516 K CA 0.633 56.903 56.287 -0.030 0.000 1.012 516 K CB 0.243 32.726 32.500 -0.027 0.000 0.903 516 K HN 0.357 nan 8.250 nan 0.000 0.485 517 c N 2.188 120.791 118.600 0.005 0.000 4.265 517 c HA -0.162 4.419 4.570 0.018 0.000 0.287 517 c C 0.592 174.687 174.090 0.008 0.000 1.451 517 c CA 0.484 56.830 56.329 0.028 0.000 1.966 517 c CB -2.056 40.469 42.510 0.026 0.000 1.302 517 c HN 0.604 nan 8.230 nan 0.000 0.794 518 V N 2.818 122.719 119.914 -0.021 0.000 2.775 518 V HA 0.450 4.581 4.120 0.018 0.000 0.299 518 V C -1.207 174.829 176.094 -0.097 0.000 1.062 518 V CA -0.486 61.776 62.300 -0.063 0.000 1.063 518 V CB 1.439 33.211 31.823 -0.085 0.000 0.994 518 V HN 0.389 nan 8.190 nan 0.000 0.483 519 P HA 0.227 nan 4.420 nan 0.000 0.212 519 P C -1.285 175.637 177.300 -0.630 0.000 1.816 519 P CA -0.060 62.928 63.100 -0.186 0.000 0.944 519 P CB -0.602 31.084 31.700 -0.024 0.000 1.896 520 N N -1.931 116.237 118.700 -0.887 0.000 2.825 520 N HA 0.094 4.846 4.740 0.018 0.000 0.253 520 N C 0.619 175.681 175.510 -0.747 0.000 1.426 520 N CA -0.770 51.699 53.050 -0.969 0.000 0.851 520 N CB -0.024 38.220 38.487 -0.405 0.000 1.470 520 N HN -0.212 nan 8.380 nan 0.000 0.517 521 S N -0.844 114.648 115.700 -0.347 0.000 2.559 521 S HA -0.164 4.317 4.470 0.018 0.000 0.250 521 S C 0.545 175.154 174.600 0.014 0.000 0.977 521 S CA 0.732 58.949 58.200 0.028 0.000 0.958 521 S CB -0.839 62.448 63.200 0.145 0.000 0.751 521 S HN 0.553 nan 8.310 nan 0.000 0.534 522 N N 1.603 120.272 118.700 -0.051 0.000 2.457 522 N HA 0.035 4.786 4.740 0.018 0.000 0.180 522 N C 0.410 175.912 175.510 -0.013 0.000 1.050 522 N CA 0.709 53.745 53.050 -0.023 0.000 0.906 522 N CB -0.213 38.250 38.487 -0.040 0.000 0.968 522 N HN 0.767 nan 8.380 nan 0.000 0.445 523 E N 0.951 121.148 120.200 -0.006 0.000 2.130 523 E HA 0.177 4.538 4.350 0.018 0.000 0.284 523 E C 0.706 177.363 176.600 0.095 0.000 1.018 523 E CA -0.246 56.169 56.400 0.025 0.000 0.817 523 E CB 0.659 30.385 29.700 0.044 0.000 1.078 523 E HN -0.054 nan 8.360 nan 0.000 0.396 524 R N 3.071 123.582 120.500 0.018 0.000 2.127 524 R HA -0.146 4.205 4.340 0.018 0.000 0.238 524 R C 0.435 176.870 176.300 0.225 0.000 1.134 524 R CA 1.239 57.360 56.100 0.035 0.000 0.975 524 R CB -0.141 30.095 30.300 -0.106 0.000 0.865 524 R HN 0.593 nan 8.270 nan 0.000 0.447 525 Y N -1.135 119.162 120.300 -0.006 0.000 2.495 525 Y HA 0.076 4.637 4.550 0.018 0.000 0.293 525 Y C -0.059 175.884 175.900 0.070 0.000 1.186 525 Y CA -1.250 56.843 58.100 -0.012 0.000 1.266 525 Y CB -1.012 37.437 38.460 -0.019 0.000 1.101 525 Y HN 0.011 nan 8.280 nan 0.000 0.517 526 Y N 0.534 120.921 120.300 0.145 0.000 2.307 526 Y HA 0.519 5.080 4.550 0.018 0.000 0.324 526 Y C 1.033 176.981 175.900 0.081 0.000 1.238 526 Y CA 0.313 58.472 58.100 0.098 0.000 1.280 526 Y CB 0.641 39.146 38.460 0.075 0.000 1.248 526 Y HN 0.373 nan 8.280 nan 0.000 0.508 527 G N 3.220 111.504 108.800 -0.861 0.000 2.752 527 G HA2 -0.368 3.603 3.960 0.018 0.000 0.234 527 G HA3 -0.368 3.603 3.960 0.018 0.000 0.234 527 G C -0.083 174.675 174.900 -0.237 0.000 1.367 527 G CA 0.291 44.956 45.100 -0.724 0.000 0.879 527 G HN 0.777 nan 8.290 nan 0.000 0.563 528 Y N 0.266 120.508 120.300 -0.097 0.000 2.049 528 Y HA -0.126 4.435 4.550 0.018 0.000 0.277 528 Y C 3.532 179.443 175.900 0.017 0.000 1.143 528 Y CA 2.648 60.725 58.100 -0.038 0.000 1.115 528 Y CB -1.266 37.154 38.460 -0.066 0.000 0.975 528 Y HN 0.602 nan 8.280 nan 0.000 0.487 529 T N -0.511 114.184 114.554 0.236 0.000 2.720 529 T HA -0.178 4.183 4.350 0.018 0.000 0.268 529 T C 2.184 176.968 174.700 0.140 0.000 1.037 529 T CA 1.552 63.797 62.100 0.241 0.000 1.144 529 T CB -0.983 68.043 68.868 0.263 0.000 0.864 529 T HN 0.597 nan 8.240 nan 0.000 0.444 530 G N 0.772 109.613 108.800 0.068 0.000 2.394 530 G HA2 0.036 4.007 3.960 0.018 0.000 0.215 530 G HA3 0.036 4.007 3.960 0.018 0.000 0.215 530 G C 1.805 176.621 174.900 -0.140 0.000 1.165 530 G CA 0.774 45.864 45.100 -0.016 0.000 0.784 530 G HN 0.572 nan 8.290 nan 0.000 0.535 531 A N 0.185 122.967 122.820 -0.064 0.000 1.969 531 A HA 0.132 4.463 4.320 0.018 0.000 0.218 531 A C 2.100 179.584 177.584 -0.166 0.000 1.169 531 A CA 1.338 53.305 52.037 -0.115 0.000 0.635 531 A CB -0.460 18.536 19.000 -0.008 0.000 0.810 531 A HN 0.358 nan 8.150 nan 0.000 0.445 532 F N 0.851 120.683 119.950 -0.197 0.000 2.113 532 F HA -0.121 4.417 4.527 0.018 0.000 0.297 532 F C 2.293 177.920 175.800 -0.289 0.000 1.103 532 F CA 1.780 59.656 58.000 -0.206 0.000 1.248 532 F CB -0.400 38.536 39.000 -0.105 0.000 0.999 532 F HN 0.256 nan 8.300 nan 0.000 0.475 533 R N -0.146 120.013 120.500 -0.569 0.000 2.103 533 R HA -0.268 4.083 4.340 0.018 0.000 0.242 533 R C 2.565 178.331 176.300 -0.889 0.000 1.142 533 R CA 2.009 57.499 56.100 -1.015 0.000 0.960 533 R CB -1.376 28.160 30.300 -1.273 0.000 0.858 533 R HN 0.555 nan 8.270 nan 0.000 0.439 534 c N 0.268 118.230 118.600 -1.063 0.000 2.422 534 c HA -0.044 4.537 4.570 0.018 0.000 0.279 534 c C 2.420 176.163 174.090 -0.578 0.000 1.305 534 c CA 0.589 56.190 56.329 -1.214 0.000 1.757 534 c CB -1.102 40.683 42.510 -1.208 0.000 1.962 534 c HN 0.674 nan 8.230 nan 0.000 0.499 535 L N 2.061 122.972 121.223 -0.519 0.000 2.007 535 L HA 0.223 4.574 4.340 0.018 0.000 0.205 535 L C 2.737 179.458 176.870 -0.248 0.000 1.073 535 L CA 2.495 57.122 54.840 -0.355 0.000 0.744 535 L CB -1.148 40.681 42.059 -0.383 0.000 0.898 535 L HN 0.281 nan 8.230 nan 0.000 0.435 536 A N -1.117 121.459 122.820 -0.407 0.000 2.076 536 A HA -0.183 4.148 4.320 0.018 0.000 0.220 536 A C 1.911 179.491 177.584 -0.006 0.000 1.160 536 A CA 1.701 53.671 52.037 -0.111 0.000 0.653 536 A CB -0.604 18.276 19.000 -0.200 0.000 0.801 536 A HN 0.661 nan 8.150 nan 0.000 0.455 537 E N -0.474 119.677 120.200 -0.083 0.000 2.444 537 E HA 0.049 4.410 4.350 0.018 0.000 0.191 537 E C -0.277 176.330 176.600 0.012 0.000 1.041 537 E CA -0.234 56.172 56.400 0.009 0.000 0.883 537 E CB 0.081 29.809 29.700 0.047 0.000 1.024 537 E HN 0.516 nan 8.360 nan 0.000 0.470 538 N N -0.414 118.274 118.700 -0.020 0.000 2.753 538 N HA -0.275 4.476 4.740 0.018 0.000 0.251 538 N C 0.823 176.330 175.510 -0.004 0.000 1.097 538 N CA 0.835 53.879 53.050 -0.010 0.000 0.786 538 N CB -1.221 37.274 38.487 0.013 0.000 1.137 538 N HN 0.339 nan 8.380 nan 0.000 0.566 539 A N -0.136 122.677 122.820 -0.011 0.000 1.855 539 A HA 0.273 4.604 4.320 0.018 0.000 0.215 539 A C 1.391 178.976 177.584 0.001 0.000 1.191 539 A CA 1.834 53.894 52.037 0.038 0.000 0.613 539 A CB -0.452 18.637 19.000 0.148 0.000 0.829 539 A HN 0.451 nan 8.150 nan 0.000 0.442 540 G N -2.192 106.567 108.800 -0.068 0.000 2.552 540 G HA2 0.458 4.429 3.960 0.018 0.000 0.324 540 G HA3 0.458 4.429 3.960 0.018 0.000 0.324 540 G C -0.477 174.373 174.900 -0.083 0.000 1.217 540 G CA 0.008 45.060 45.100 -0.080 0.000 0.989 540 G HN 0.083 nan 8.290 nan 0.000 0.490 541 D N -1.489 118.860 120.400 -0.085 0.000 2.423 541 D HA 0.133 4.784 4.640 0.018 0.000 0.208 541 D C 0.206 176.436 176.300 -0.117 0.000 1.068 541 D CA 0.448 54.409 54.000 -0.065 0.000 0.860 541 D CB 1.582 42.373 40.800 -0.015 0.000 0.992 541 D HN 0.138 nan 8.370 nan 0.000 0.504 542 V N 0.130 119.902 119.914 -0.237 0.000 2.932 542 V HA 0.707 4.838 4.120 0.018 0.000 0.307 542 V C -1.819 173.929 176.094 -0.577 0.000 1.147 542 V CA -0.790 61.268 62.300 -0.402 0.000 0.951 542 V CB 2.087 33.635 31.823 -0.457 0.000 1.031 542 V HN 0.036 nan 8.190 nan 0.000 0.426 543 A N 5.519 128.003 122.820 -0.560 0.000 2.330 543 A HA 0.870 5.201 4.320 0.018 0.000 0.313 543 A C -1.343 175.936 177.584 -0.509 0.000 1.124 543 A CA -0.363 51.417 52.037 -0.429 0.000 0.774 543 A CB 0.943 19.838 19.000 -0.174 0.000 1.198 543 A HN 0.743 nan 8.150 nan 0.000 0.465 544 F N 3.055 122.944 119.950 -0.102 0.000 2.303 544 F HA 0.485 5.025 4.527 0.020 0.000 0.368 544 F C 0.700 176.538 175.800 0.064 0.000 1.105 544 F CA -0.283 57.704 58.000 -0.022 0.000 1.153 544 F CB 1.134 40.083 39.000 -0.085 0.000 1.362 544 F HN 0.547 nan 8.300 nan 0.000 0.511 545 V N 0.095 120.145 119.914 0.227 0.000 3.149 545 V HA 0.691 4.822 4.120 0.018 0.000 0.310 545 V C -0.896 175.297 176.094 0.165 0.000 1.353 545 V CA -1.333 61.122 62.300 0.258 0.000 1.040 545 V CB 2.028 33.952 31.823 0.168 0.000 1.136 545 V HN 0.478 nan 8.190 nan 0.000 0.477 546 K N -0.340 120.053 120.400 -0.012 0.000 2.238 546 K HA 0.524 4.855 4.320 0.018 0.000 0.239 546 K C 0.247 176.732 176.600 -0.190 0.000 0.987 546 K CA 0.110 56.326 56.287 -0.117 0.000 0.857 546 K CB 1.722 34.059 32.500 -0.273 0.000 1.154 546 K HN 0.707 nan 8.250 nan 0.000 0.439 547 D N 1.075 121.379 120.400 -0.160 0.000 2.117 547 D HA -0.192 4.459 4.640 0.018 0.000 0.198 547 D C 1.762 177.920 176.300 -0.237 0.000 0.982 547 D CA 1.699 55.596 54.000 -0.170 0.000 0.828 547 D CB -0.936 39.794 40.800 -0.117 0.000 0.967 547 D HN 0.377 nan 8.370 nan 0.000 0.464 548 V N -1.168 118.582 119.914 -0.273 0.000 3.026 548 V HA -0.158 3.973 4.120 0.018 0.000 0.265 548 V C 1.939 177.836 176.094 -0.329 0.000 1.121 548 V CA 1.812 63.942 62.300 -0.283 0.000 1.142 548 V CB -1.465 30.182 31.823 -0.293 0.000 0.730 548 V HN 0.105 nan 8.190 nan 0.000 0.503 549 T N 1.049 115.373 114.554 -0.384 0.000 2.708 549 T HA -0.141 4.220 4.350 0.018 0.000 0.266 549 T C 1.927 176.299 174.700 -0.546 0.000 1.037 549 T CA 2.000 63.860 62.100 -0.400 0.000 1.146 549 T CB -0.345 68.322 68.868 -0.336 0.000 0.865 549 T HN 0.472 nan 8.240 nan 0.000 0.435 550 V N 1.432 120.937 119.914 -0.682 0.000 2.255 550 V HA -0.099 4.032 4.120 0.018 0.000 0.243 550 V C 2.454 178.270 176.094 -0.463 0.000 1.038 550 V CA 1.117 62.881 62.300 -0.893 0.000 1.008 550 V CB -0.879 30.556 31.823 -0.646 0.000 0.645 550 V HN 0.257 nan 8.190 nan 0.000 0.449 551 L N 0.317 121.362 121.223 -0.297 0.000 1.976 551 L HA -0.312 4.039 4.340 0.018 0.000 0.223 551 L C 2.622 179.384 176.870 -0.181 0.000 1.081 551 L CA 2.075 56.803 54.840 -0.187 0.000 0.784 551 L CB -1.635 40.332 42.059 -0.154 0.000 0.896 551 L HN 0.424 nan 8.230 nan 0.000 0.438 552 Q N -0.799 118.883 119.800 -0.198 0.000 2.308 552 Q HA -0.168 4.183 4.340 0.018 0.000 0.209 552 Q C 0.689 176.612 176.000 -0.130 0.000 0.985 552 Q CA 1.235 56.947 55.803 -0.151 0.000 0.881 552 Q CB -0.277 28.375 28.738 -0.144 0.000 0.917 552 Q HN 0.611 nan 8.270 nan 0.000 0.443 553 N N 0.460 119.058 118.700 -0.170 0.000 2.351 553 N HA 0.059 4.810 4.740 0.018 0.000 0.254 553 N C -0.507 174.963 175.510 -0.066 0.000 1.241 553 N CA 0.282 53.275 53.050 -0.095 0.000 0.883 553 N CB 1.297 39.844 38.487 0.100 0.000 1.202 553 N HN 0.189 nan 8.380 nan 0.000 0.512 554 T N -3.187 111.323 114.554 -0.073 0.000 2.841 554 T HA 0.342 4.703 4.350 0.018 0.000 0.296 554 T C -0.669 174.021 174.700 -0.017 0.000 1.166 554 T CA -0.443 61.662 62.100 0.008 0.000 1.007 554 T CB 2.341 71.269 68.868 0.101 0.000 1.253 554 T HN -0.107 nan 8.240 nan 0.000 0.511 555 D N 0.049 120.453 120.400 0.006 0.000 2.800 555 D HA -0.081 4.570 4.640 0.018 0.000 0.232 555 D C 0.982 177.266 176.300 -0.026 0.000 1.137 555 D CA 2.006 56.003 54.000 -0.006 0.000 0.718 555 D CB -1.690 39.106 40.800 -0.008 0.000 1.084 555 D HN 1.841 nan 8.370 nan 0.000 0.432 556 G N 0.245 109.022 108.800 -0.038 0.000 2.350 556 G HA2 -0.363 3.608 3.960 0.018 0.000 0.298 556 G HA3 -0.363 3.608 3.960 0.018 0.000 0.298 556 G C 0.741 175.607 174.900 -0.056 0.000 1.037 556 G CA 0.374 45.443 45.100 -0.051 0.000 1.074 556 G HN 0.429 nan 8.290 nan 0.000 0.511 557 N N -0.149 118.509 118.700 -0.069 0.000 2.197 557 N HA 0.060 4.811 4.740 0.018 0.000 0.201 557 N C 0.304 175.768 175.510 -0.076 0.000 1.148 557 N CA 0.375 53.385 53.050 -0.067 0.000 0.883 557 N CB 0.493 38.938 38.487 -0.070 0.000 1.012 557 N HN 0.575 nan 8.380 nan 0.000 0.507 558 N N 0.179 118.816 118.700 -0.106 0.000 2.629 558 N HA 0.170 4.922 4.740 0.018 0.000 0.277 558 N C -0.718 174.679 175.510 -0.188 0.000 1.188 558 N CA -0.214 52.753 53.050 -0.138 0.000 0.835 558 N CB 0.176 38.568 38.487 -0.159 0.000 1.420 558 N HN -0.219 nan 8.380 nan 0.000 0.542 559 N N 1.076 119.702 118.700 -0.124 0.000 2.512 559 N HA -0.038 4.713 4.740 0.018 0.000 0.183 559 N C -0.157 175.273 175.510 -0.133 0.000 1.073 559 N CA 0.372 53.356 53.050 -0.111 0.000 0.911 559 N CB 0.217 38.667 38.487 -0.061 0.000 0.964 559 N HN 0.609 nan 8.380 nan 0.000 0.447 560 E N -0.163 119.935 120.200 -0.171 0.000 2.442 560 E HA -0.038 4.323 4.350 0.018 0.000 0.262 560 E C 1.104 177.574 176.600 -0.217 0.000 1.004 560 E CA -0.034 56.284 56.400 -0.137 0.000 0.928 560 E CB 0.604 30.266 29.700 -0.063 0.000 0.937 560 E HN 0.288 nan 8.360 nan 0.000 0.446 561 A N 6.252 129.042 122.820 -0.050 0.000 1.923 561 A HA -0.239 4.093 4.320 0.018 0.000 0.222 561 A C 1.845 179.443 177.584 0.024 0.000 1.258 561 A CA 2.375 54.422 52.037 0.018 0.000 0.670 561 A CB -1.179 17.893 19.000 0.121 0.000 0.834 561 A HN 0.982 nan 8.150 nan 0.000 0.470 562 W N -1.479 119.854 121.300 0.055 0.000 2.467 562 W HA 0.274 4.945 4.660 0.019 0.000 0.275 562 W C 1.828 178.385 176.519 0.065 0.000 1.239 562 W CA 1.128 58.508 57.345 0.058 0.000 1.266 562 W CB -0.799 28.701 29.460 0.066 0.000 1.112 562 W HN 0.428 nan 8.180 nan 0.000 0.576 563 A N 2.363 124.541 122.820 -1.070 0.000 1.956 563 A HA -0.076 4.255 4.320 0.018 0.000 0.212 563 A C 2.112 179.466 177.584 -0.383 0.000 1.188 563 A CA 1.612 53.050 52.037 -0.997 0.000 0.675 563 A CB -0.598 17.576 19.000 -1.377 0.000 0.845 563 A HN 0.287 nan 8.150 nan 0.000 0.455 564 K N 0.385 120.615 120.400 -0.284 0.000 2.091 564 K HA -0.293 4.039 4.320 0.018 0.000 0.225 564 K C 0.380 176.932 176.600 -0.079 0.000 1.028 564 K CA 2.261 58.462 56.287 -0.143 0.000 0.965 564 K CB -0.907 31.539 32.500 -0.090 0.000 0.786 564 K HN 0.291 nan 8.250 nan 0.000 0.459 565 D N 0.655 121.029 120.400 -0.044 0.000 2.325 565 D HA 0.150 4.801 4.640 0.018 0.000 0.234 565 D C -0.113 176.209 176.300 0.037 0.000 1.122 565 D CA 0.255 54.254 54.000 -0.001 0.000 0.850 565 D CB -0.066 40.741 40.800 0.012 0.000 0.921 565 D HN 0.225 nan 8.370 nan 0.000 0.513 566 L N 1.165 122.423 121.223 0.059 0.000 2.292 566 L HA 0.250 4.601 4.340 0.018 0.000 0.284 566 L C 0.543 177.513 176.870 0.167 0.000 1.065 566 L CA -0.469 54.481 54.840 0.184 0.000 0.806 566 L CB 0.967 43.215 42.059 0.316 0.000 1.175 566 L HN -0.403 nan 8.230 nan 0.000 0.431 567 K N 3.333 123.837 120.400 0.174 0.000 2.221 567 K HA 0.232 4.563 4.320 0.018 0.000 0.258 567 K C 0.540 177.258 176.600 0.196 0.000 0.944 567 K CA -0.804 55.556 56.287 0.121 0.000 0.823 567 K CB 2.590 35.117 32.500 0.045 0.000 1.113 567 K HN 0.382 nan 8.250 nan 0.000 0.431 568 L N 3.324 124.646 121.223 0.166 0.000 2.021 568 L HA -0.282 4.069 4.340 0.018 0.000 0.215 568 L C 1.966 178.931 176.870 0.157 0.000 1.074 568 L CA 2.467 57.421 54.840 0.190 0.000 0.760 568 L CB -0.585 41.523 42.059 0.081 0.000 0.889 568 L HN 0.869 nan 8.230 nan 0.000 0.433 569 A N -1.135 121.722 122.820 0.063 0.000 2.139 569 A HA -0.223 4.108 4.320 0.018 0.000 0.221 569 A C 1.741 179.295 177.584 -0.050 0.000 1.159 569 A CA 1.828 53.872 52.037 0.013 0.000 0.662 569 A CB -0.807 18.192 19.000 -0.002 0.000 0.796 569 A HN 0.645 nan 8.150 nan 0.000 0.463 570 D N -1.528 118.789 120.400 -0.139 0.000 2.355 570 D HA 0.130 4.781 4.640 0.018 0.000 0.218 570 D C -0.295 175.622 176.300 -0.637 0.000 1.004 570 D CA 0.487 54.229 54.000 -0.430 0.000 0.880 570 D CB 0.008 40.380 40.800 -0.712 0.000 0.911 570 D HN 0.435 nan 8.370 nan 0.000 0.528 571 F N 0.326 120.317 119.950 0.069 0.000 2.538 571 F HA 0.623 5.161 4.527 0.019 0.000 0.325 571 F C 0.442 176.271 175.800 0.048 0.000 1.066 571 F CA -1.120 56.931 58.000 0.084 0.000 0.946 571 F CB 1.691 40.789 39.000 0.164 0.000 1.199 571 F HN -0.267 nan 8.300 nan 0.000 0.473 572 A N 1.796 124.745 122.820 0.214 0.000 2.530 572 A HA 0.915 5.246 4.320 0.018 0.000 0.288 572 A C -1.674 175.978 177.584 0.112 0.000 1.172 572 A CA -0.782 51.327 52.037 0.119 0.000 0.733 572 A CB 1.469 20.512 19.000 0.071 0.000 1.320 572 A HN 0.692 nan 8.150 nan 0.000 0.419 573 L N 0.183 121.450 121.223 0.074 0.000 2.334 573 L HA 0.528 4.879 4.340 0.018 0.000 0.273 573 L C -1.234 175.670 176.870 0.057 0.000 1.013 573 L CA -0.941 53.933 54.840 0.056 0.000 0.816 573 L CB 1.453 43.533 42.059 0.035 0.000 1.278 573 L HN 0.476 nan 8.230 nan 0.000 0.431 574 L N 1.931 123.194 121.223 0.068 0.000 2.275 574 L HA 0.396 4.748 4.340 0.018 0.000 0.288 574 L C -0.238 176.642 176.870 0.018 0.000 1.046 574 L CA 0.083 54.984 54.840 0.102 0.000 0.805 574 L CB 1.113 43.310 42.059 0.230 0.000 1.193 574 L HN 0.655 nan 8.230 nan 0.000 0.426 575 c N 2.836 121.439 118.600 0.006 0.000 2.349 575 c HA 0.369 4.950 4.570 0.018 0.000 0.361 575 c C 1.987 176.016 174.090 -0.101 0.000 1.189 575 c CA -1.075 55.201 56.329 -0.088 0.000 2.155 575 c CB 1.082 43.546 42.510 -0.076 0.000 2.336 575 c HN 0.761 nan 8.230 nan 0.000 0.540 576 L N 1.225 122.314 121.223 -0.223 0.000 2.551 576 L HA -0.062 4.289 4.340 0.018 0.000 0.228 576 L C 1.388 178.235 176.870 -0.039 0.000 1.153 576 L CA 1.275 55.968 54.840 -0.245 0.000 0.851 576 L CB -0.499 41.373 42.059 -0.311 0.000 0.959 576 L HN 0.849 nan 8.230 nan 0.000 0.451 577 D N -2.036 118.351 120.400 -0.021 0.000 2.349 577 D HA 0.128 4.779 4.640 0.018 0.000 0.214 577 D C 1.402 177.729 176.300 0.046 0.000 1.063 577 D CA 0.747 54.754 54.000 0.011 0.000 0.847 577 D CB 0.618 41.410 40.800 -0.014 0.000 0.933 577 D HN 0.153 nan 8.370 nan 0.000 0.513 578 G N -0.550 108.298 108.800 0.080 0.000 2.307 578 G HA2 -0.254 3.717 3.960 0.018 0.000 0.210 578 G HA3 -0.254 3.717 3.960 0.018 0.000 0.210 578 G C 0.356 175.302 174.900 0.076 0.000 1.005 578 G CA -0.308 44.849 45.100 0.095 0.000 0.634 578 G HN 0.283 nan 8.290 nan 0.000 0.496 579 K N 1.171 121.600 120.400 0.048 0.000 2.230 579 K HA 0.675 5.006 4.320 0.018 0.000 0.253 579 K C 0.815 177.441 176.600 0.043 0.000 1.008 579 K CA 0.222 56.530 56.287 0.034 0.000 0.910 579 K CB 0.242 32.749 32.500 0.012 0.000 0.994 579 K HN 0.518 nan 8.250 nan 0.000 0.495 580 R N 1.317 121.838 120.500 0.036 0.000 2.621 580 R HA 0.499 4.850 4.340 0.018 0.000 0.292 580 R C -0.582 175.733 176.300 0.026 0.000 0.969 580 R CA -0.962 55.162 56.100 0.039 0.000 0.887 580 R CB 1.970 32.297 30.300 0.046 0.000 1.180 580 R HN 0.406 nan 8.270 nan 0.000 0.450 581 K N 1.665 122.080 120.400 0.025 0.000 2.480 581 K HA 0.482 4.813 4.320 0.018 0.000 0.258 581 K C -2.688 173.929 176.600 0.027 0.000 0.990 581 K CA -2.161 54.137 56.287 0.019 0.000 0.857 581 K CB 2.508 35.013 32.500 0.008 0.000 1.384 581 K HN 0.325 nan 8.250 nan 0.000 0.446 582 P HA 0.004 nan 4.420 nan 0.000 0.272 582 P C 0.828 178.144 177.300 0.027 0.000 1.230 582 P CA -0.272 62.846 63.100 0.029 0.000 0.788 582 P CB 0.616 32.328 31.700 0.019 0.000 0.949 583 V N 1.283 121.219 119.914 0.035 0.000 2.568 583 V HA -0.223 3.908 4.120 0.018 0.000 0.253 583 V C 2.376 178.465 176.094 -0.008 0.000 1.072 583 V CA 2.731 65.038 62.300 0.013 0.000 1.084 583 V CB -2.095 29.733 31.823 0.010 0.000 0.676 583 V HN 0.721 nan 8.190 nan 0.000 0.469 584 T N -1.414 113.137 114.554 -0.004 0.000 3.072 584 T HA -0.076 4.285 4.350 0.018 0.000 0.266 584 T C 1.045 175.742 174.700 -0.006 0.000 1.127 584 T CA 0.943 63.036 62.100 -0.012 0.000 1.107 584 T CB -0.275 68.587 68.868 -0.010 0.000 0.910 584 T HN 0.677 nan 8.240 nan 0.000 0.513 585 E N 0.705 120.906 120.200 0.002 0.000 2.496 585 E HA 0.555 4.916 4.350 0.018 0.000 0.202 585 E C 1.785 178.398 176.600 0.022 0.000 1.021 585 E CA -0.062 56.343 56.400 0.008 0.000 1.015 585 E CB 0.219 29.922 29.700 0.005 0.000 1.102 585 E HN 0.516 nan 8.360 nan 0.000 0.452 586 A N 1.336 124.169 122.820 0.023 0.000 1.948 586 A HA -0.263 4.068 4.320 0.018 0.000 0.220 586 A C 2.150 179.820 177.584 0.143 0.000 1.177 586 A CA 1.520 53.588 52.037 0.052 0.000 0.636 586 A CB -0.327 18.677 19.000 0.006 0.000 0.815 586 A HN 0.155 nan 8.150 nan 0.000 0.449 587 R N 0.170 120.727 120.500 0.094 0.000 2.200 587 R HA -0.100 4.252 4.340 0.018 0.000 0.234 587 R C 1.581 177.990 176.300 0.182 0.000 1.127 587 R CA 1.596 57.782 56.100 0.143 0.000 0.989 587 R CB -0.126 30.203 30.300 0.049 0.000 0.869 587 R HN 0.664 nan 8.270 nan 0.000 0.459 588 S N -2.917 112.826 115.700 0.073 0.000 2.629 588 S HA 0.140 4.621 4.470 0.018 0.000 0.236 588 S C 0.178 174.724 174.600 -0.090 0.000 1.010 588 S CA -0.639 57.549 58.200 -0.019 0.000 0.981 588 S CB 0.477 63.665 63.200 -0.021 0.000 0.919 588 S HN 0.240 nan 8.310 nan 0.000 0.514 589 c N 4.262 122.828 118.600 -0.058 0.000 3.517 589 c HA 0.544 5.125 4.570 0.018 0.000 0.202 589 c C -0.502 173.558 174.090 -0.051 0.000 1.370 589 c CA -0.431 55.843 56.329 -0.092 0.000 1.308 589 c CB -1.157 41.333 42.510 -0.033 0.000 1.840 589 c HN 0.754 nan 8.230 nan 0.000 0.525 590 H N 1.251 120.269 119.070 -0.086 0.000 2.928 590 H HA 0.429 4.996 4.556 0.018 0.000 0.371 590 H C -0.079 175.163 175.328 -0.143 0.000 1.186 590 H CA -0.844 55.145 56.048 -0.099 0.000 1.134 590 H CB 0.890 30.605 29.762 -0.078 0.000 1.824 590 H HN 0.275 nan 8.280 nan 0.000 0.554 591 L N 0.461 121.691 121.223 0.012 0.000 2.095 591 L HA 0.296 4.647 4.340 0.018 0.000 0.204 591 L C 1.036 177.908 176.870 0.005 0.000 1.080 591 L CA 1.367 56.142 54.840 -0.107 0.000 0.759 591 L CB -0.260 41.715 42.059 -0.140 0.000 0.914 591 L HN 0.784 nan 8.230 nan 0.000 0.439 592 A N -1.304 121.585 122.820 0.115 0.000 2.544 592 A HA 0.546 4.877 4.320 0.018 0.000 0.291 592 A C -1.248 176.291 177.584 -0.074 0.000 1.055 592 A CA -0.647 51.425 52.037 0.060 0.000 0.651 592 A CB 1.005 19.994 19.000 -0.019 0.000 1.296 592 A HN -0.096 nan 8.150 nan 0.000 0.431 593 M N 1.237 120.745 119.600 -0.155 0.000 2.144 593 M HA 0.543 5.034 4.480 0.018 0.000 0.356 593 M C 0.250 176.322 176.300 -0.380 0.000 1.217 593 M CA -0.127 55.003 55.300 -0.283 0.000 1.087 593 M CB 0.983 33.453 32.600 -0.216 0.000 1.609 593 M HN 1.037 nan 8.290 nan 0.000 0.467 594 A N 7.031 129.502 122.820 -0.581 0.000 2.317 594 A HA 0.823 5.154 4.320 0.018 0.000 0.327 594 A C -2.485 174.685 177.584 -0.691 0.000 1.178 594 A CA -1.514 50.035 52.037 -0.814 0.000 0.817 594 A CB 0.428 18.683 19.000 -1.241 0.000 1.189 594 A HN 0.441 nan 8.150 nan 0.000 0.489 595 P HA 0.116 nan 4.420 nan 0.000 0.271 595 P C -0.561 176.885 177.300 0.244 0.000 1.218 595 P CA -0.265 62.723 63.100 -0.188 0.000 0.780 595 P CB 0.366 31.896 31.700 -0.283 0.000 0.901 596 N N 0.527 119.474 118.700 0.411 0.000 2.441 596 N HA 0.001 4.752 4.740 0.018 0.000 0.251 596 N C 0.288 176.282 175.510 0.805 0.000 1.242 596 N CA 0.236 53.718 53.050 0.720 0.000 0.898 596 N CB -0.325 38.422 38.487 0.432 0.000 1.100 596 N HN 0.440 nan 8.380 nan 0.000 0.443 597 H N 0.155 119.551 119.070 0.544 0.000 3.001 597 H HA 0.266 4.833 4.556 0.019 0.000 0.334 597 H C -0.229 175.302 175.328 0.338 0.000 1.034 597 H CA -0.338 55.960 56.048 0.416 0.000 1.420 597 H CB 0.527 30.503 29.762 0.358 0.000 1.405 597 H HN 0.520 nan 8.280 nan 0.000 0.593 598 A N 3.292 126.314 122.820 0.338 0.000 2.401 598 A HA 0.394 4.725 4.320 0.018 0.000 0.310 598 A C -0.451 177.214 177.584 0.136 0.000 1.075 598 A CA -0.751 51.368 52.037 0.136 0.000 0.746 598 A CB 1.550 20.407 19.000 -0.239 0.000 1.277 598 A HN 0.535 nan 8.150 nan 0.000 0.425 599 V N 2.726 122.727 119.914 0.146 0.000 2.498 599 V HA 0.675 4.806 4.120 0.018 0.000 0.279 599 V C 0.014 176.123 176.094 0.026 0.000 1.048 599 V CA -0.002 62.388 62.300 0.150 0.000 0.967 599 V CB 0.728 32.749 31.823 0.330 0.000 0.988 599 V HN 1.495 nan 8.190 nan 0.000 0.473 600 V N 3.685 123.577 119.914 -0.036 0.000 2.769 600 V HA 0.981 5.112 4.120 0.018 0.000 0.312 600 V C -0.137 175.900 176.094 -0.095 0.000 1.058 600 V CA 0.079 62.345 62.300 -0.057 0.000 0.952 600 V CB 1.492 33.287 31.823 -0.046 0.000 1.019 600 V HN 1.208 nan 8.190 nan 0.000 0.445 601 S N 1.282 116.945 115.700 -0.062 0.000 2.752 601 S HA 0.613 5.095 4.470 0.018 0.000 0.284 601 S C -0.606 173.970 174.600 -0.040 0.000 1.189 601 S CA -1.032 57.130 58.200 -0.065 0.000 0.835 601 S CB 1.931 65.107 63.200 -0.040 0.000 1.192 601 S HN 0.936 nan 8.310 nan 0.000 0.506 602 R N 0.654 121.134 120.500 -0.033 0.000 2.615 602 R HA 0.327 4.678 4.340 0.018 0.000 0.270 602 R C 1.230 177.527 176.300 -0.005 0.000 1.081 602 R CA -0.242 55.847 56.100 -0.018 0.000 1.154 602 R CB 0.211 30.503 30.300 -0.012 0.000 1.063 602 R HN 0.650 nan 8.270 nan 0.000 0.519 603 M N 1.508 121.109 119.600 0.000 0.000 2.149 603 M HA -0.206 4.285 4.480 0.018 0.000 0.261 603 M C 1.393 177.698 176.300 0.008 0.000 1.064 603 M CA 1.783 57.087 55.300 0.007 0.000 1.102 603 M CB -0.123 32.483 32.600 0.010 0.000 1.369 603 M HN 0.649 nan 8.290 nan 0.000 0.408 604 D N -0.807 119.597 120.400 0.007 0.000 2.309 604 D HA -0.208 4.443 4.640 0.018 0.000 0.212 604 D C 1.605 177.911 176.300 0.009 0.000 0.968 604 D CA 1.069 55.074 54.000 0.008 0.000 0.882 604 D CB -0.224 40.581 40.800 0.007 0.000 0.918 604 D HN 0.222 nan 8.370 nan 0.000 0.503 605 K N 0.370 120.776 120.400 0.010 0.000 2.360 605 K HA 0.155 4.486 4.320 0.018 0.000 0.196 605 K C 1.870 178.487 176.600 0.028 0.000 1.049 605 K CA -0.083 56.215 56.287 0.017 0.000 1.049 605 K CB 0.156 32.662 32.500 0.010 0.000 0.881 605 K HN -0.083 nan 8.250 nan 0.000 0.542 606 V N 1.965 121.894 119.914 0.025 0.000 2.225 606 V HA -0.364 3.767 4.120 0.018 0.000 0.252 606 V C 1.923 178.042 176.094 0.042 0.000 1.055 606 V CA 2.336 64.655 62.300 0.032 0.000 1.032 606 V CB -0.349 31.488 31.823 0.022 0.000 0.655 606 V HN 0.416 nan 8.190 nan 0.000 0.458 607 E N -0.098 120.123 120.200 0.034 0.000 2.118 607 E HA -0.272 4.089 4.350 0.018 0.000 0.195 607 E C 2.275 178.901 176.600 0.043 0.000 0.992 607 E CA 1.570 57.991 56.400 0.035 0.000 0.804 607 E CB -0.410 29.305 29.700 0.025 0.000 0.741 607 E HN 0.488 nan 8.360 nan 0.000 0.458 608 R N 1.167 121.691 120.500 0.041 0.000 2.115 608 R HA -0.059 4.292 4.340 0.018 0.000 0.226 608 R C 2.224 178.570 176.300 0.076 0.000 1.100 608 R CA 0.490 56.617 56.100 0.046 0.000 0.980 608 R CB -0.591 29.729 30.300 0.032 0.000 0.875 608 R HN 0.164 nan 8.270 nan 0.000 0.445 609 L N 0.828 122.105 121.223 0.091 0.000 2.046 609 L HA -0.043 4.308 4.340 0.018 0.000 0.208 609 L C 1.860 178.836 176.870 0.175 0.000 1.077 609 L CA 1.929 56.855 54.840 0.144 0.000 0.747 609 L CB -0.600 41.536 42.059 0.128 0.000 0.896 609 L HN 0.138 nan 8.230 nan 0.000 0.432 610 K N -0.802 119.675 120.400 0.127 0.000 2.032 610 K HA -0.228 4.103 4.320 0.018 0.000 0.209 610 K C 2.128 178.803 176.600 0.125 0.000 1.048 610 K CA 2.108 58.466 56.287 0.119 0.000 0.927 610 K CB -0.101 32.446 32.500 0.077 0.000 0.712 610 K HN 0.685 nan 8.250 nan 0.000 0.441 611 Q N -0.230 119.634 119.800 0.107 0.000 2.046 611 Q HA -0.104 4.247 4.340 0.018 0.000 0.200 611 Q C 2.042 178.128 176.000 0.143 0.000 0.975 611 Q CA 1.453 57.317 55.803 0.103 0.000 0.836 611 Q CB -0.409 28.368 28.738 0.065 0.000 0.896 611 Q HN 0.055 nan 8.270 nan 0.000 0.428 612 V N 1.918 121.922 119.914 0.151 0.000 2.332 612 V HA -0.247 3.884 4.120 0.018 0.000 0.248 612 V C 2.390 178.654 176.094 0.283 0.000 1.055 612 V CA 1.528 63.946 62.300 0.196 0.000 1.038 612 V CB -0.574 31.352 31.823 0.171 0.000 0.651 612 V HN 0.327 nan 8.190 nan 0.000 0.450 613 L N -0.965 120.426 121.223 0.280 0.000 2.027 613 L HA -0.167 4.184 4.340 0.018 0.000 0.206 613 L C 2.425 179.416 176.870 0.201 0.000 1.074 613 L CA 1.528 56.546 54.840 0.297 0.000 0.745 613 L CB -0.505 41.759 42.059 0.340 0.000 0.898 613 L HN 0.314 nan 8.230 nan 0.000 0.433 614 L N -1.065 120.256 121.223 0.163 0.000 2.017 614 L HA -0.288 4.063 4.340 0.018 0.000 0.208 614 L C 2.758 179.672 176.870 0.073 0.000 1.073 614 L CA 1.408 56.311 54.840 0.105 0.000 0.745 614 L CB -0.935 41.182 42.059 0.098 0.000 0.894 614 L HN 0.417 nan 8.230 nan 0.000 0.432 615 H N 0.085 119.182 119.070 0.045 0.000 2.267 615 H HA -0.185 4.382 4.556 0.018 0.000 0.297 615 H C 2.226 177.549 175.328 -0.010 0.000 1.080 615 H CA 1.743 57.801 56.048 0.016 0.000 1.278 615 H CB 0.187 29.969 29.762 0.034 0.000 1.365 615 H HN 0.287 nan 8.280 nan 0.000 0.489 616 Q N 0.353 120.218 119.800 0.108 0.000 2.234 616 Q HA -0.178 4.173 4.340 0.018 0.000 0.206 616 Q C 2.377 178.326 176.000 -0.085 0.000 0.980 616 Q CA 1.848 57.719 55.803 0.113 0.000 0.869 616 Q CB -0.261 28.780 28.738 0.505 0.000 0.912 616 Q HN 0.812 nan 8.270 nan 0.000 0.436 617 Q N -1.443 118.299 119.800 -0.097 0.000 2.331 617 Q HA 0.179 4.530 4.340 0.018 0.000 0.203 617 Q C 1.861 177.743 176.000 -0.196 0.000 0.944 617 Q CA 0.884 56.584 55.803 -0.172 0.000 0.892 617 Q CB -0.194 28.506 28.738 -0.064 0.000 0.983 617 Q HN 0.181 nan 8.270 nan 0.000 0.482 618 A N 1.559 124.250 122.820 -0.215 0.000 1.972 618 A HA -0.131 4.200 4.320 0.018 0.000 0.219 618 A C 2.064 179.464 177.584 -0.307 0.000 1.169 618 A CA 1.431 53.337 52.037 -0.219 0.000 0.635 618 A CB -0.211 18.663 19.000 -0.209 0.000 0.810 618 A HN 0.245 nan 8.150 nan 0.000 0.446 619 K N -2.013 118.091 120.400 -0.493 0.000 2.214 619 K HA 0.144 4.476 4.320 0.018 0.000 0.201 619 K C 0.230 176.432 176.600 -0.663 0.000 1.049 619 K CA 0.758 56.631 56.287 -0.690 0.000 0.978 619 K CB 0.141 31.943 32.500 -1.164 0.000 0.842 619 K HN 0.514 nan 8.250 nan 0.000 0.474 620 F N 0.343 120.176 119.950 -0.194 0.000 2.683 620 F HA 0.284 4.822 4.527 0.018 0.000 0.306 620 F C 1.125 176.643 175.800 -0.472 0.000 1.102 620 F CA -0.811 57.026 58.000 -0.272 0.000 1.244 620 F CB -0.116 38.766 39.000 -0.197 0.000 1.029 620 F HN -0.122 nan 8.300 nan 0.000 0.545 621 G N 0.544 109.183 108.800 -0.268 0.000 2.661 621 G HA2 -0.022 3.949 3.960 0.018 0.000 0.272 621 G HA3 -0.022 3.949 3.960 0.018 0.000 0.272 621 G C 1.305 176.145 174.900 -0.099 0.000 1.296 621 G CA -0.277 44.681 45.100 -0.236 0.000 0.998 621 G HN 0.134 nan 8.290 nan 0.000 0.553 622 R N -0.056 120.503 120.500 0.099 0.000 2.083 622 R HA -0.105 4.246 4.340 0.018 0.000 0.237 622 R C 1.229 177.534 176.300 0.008 0.000 1.137 622 R CA 1.876 58.033 56.100 0.095 0.000 0.951 622 R CB -0.598 29.769 30.300 0.111 0.000 0.851 622 R HN 0.570 nan 8.270 nan 0.000 0.434 623 N N -0.185 118.513 118.700 -0.003 0.000 2.401 623 N HA 0.185 4.937 4.740 0.018 0.000 0.264 623 N C -0.837 174.646 175.510 -0.045 0.000 1.238 623 N CA -0.019 53.017 53.050 -0.024 0.000 0.889 623 N CB 0.843 39.321 38.487 -0.016 0.000 1.196 623 N HN 0.239 nan 8.380 nan 0.000 0.511 624 G N -0.718 108.042 108.800 -0.067 0.000 2.415 624 G HA2 0.117 4.088 3.960 0.018 0.000 0.269 624 G HA3 0.117 4.088 3.960 0.018 0.000 0.269 624 G C 1.103 175.944 174.900 -0.098 0.000 1.209 624 G CA -0.073 44.966 45.100 -0.103 0.000 0.835 624 G HN 0.273 nan 8.290 nan 0.000 0.534 625 S N 1.289 116.915 115.700 -0.123 0.000 2.448 625 S HA -0.275 4.207 4.470 0.018 0.000 0.250 625 S C 1.180 175.738 174.600 -0.071 0.000 1.088 625 S CA 2.464 60.600 58.200 -0.106 0.000 1.058 625 S CB -0.184 62.931 63.200 -0.143 0.000 0.873 625 S HN 0.510 nan 8.310 nan 0.000 0.473 626 D N -0.482 119.888 120.400 -0.051 0.000 2.469 626 D HA 0.291 4.942 4.640 0.018 0.000 0.215 626 D C -0.251 176.120 176.300 0.119 0.000 1.154 626 D CA -0.096 53.947 54.000 0.072 0.000 0.832 626 D CB 0.458 41.375 40.800 0.194 0.000 1.008 626 D HN 0.460 nan 8.370 nan 0.000 0.506 627 c N 2.413 121.040 118.600 0.046 0.000 2.281 627 c HA 0.600 5.181 4.570 0.018 0.000 0.325 627 c C -1.977 172.103 174.090 -0.018 0.000 1.282 627 c CA -1.524 54.805 56.329 -0.000 0.000 1.640 627 c CB 0.514 42.988 42.510 -0.060 0.000 2.288 627 c HN 0.046 nan 8.230 nan 0.000 0.507 628 P HA 0.238 nan 4.420 nan 0.000 0.276 628 P C 0.673 177.980 177.300 0.011 0.000 1.585 628 P CA 0.199 63.288 63.100 -0.018 0.000 1.162 628 P CB 0.170 31.851 31.700 -0.033 0.000 1.556 629 D N 0.534 120.952 120.400 0.030 0.000 2.117 629 D HA -0.134 4.517 4.640 0.018 0.000 0.197 629 D C 1.490 177.827 176.300 0.063 0.000 0.987 629 D CA 1.306 55.330 54.000 0.040 0.000 0.829 629 D CB 0.516 41.338 40.800 0.036 0.000 0.961 629 D HN 0.225 nan 8.370 nan 0.000 0.460 630 K N -2.128 118.335 120.400 0.105 0.000 2.353 630 K HA 0.092 4.423 4.320 0.018 0.000 0.206 630 K C -0.260 176.444 176.600 0.174 0.000 1.191 630 K CA -0.161 56.206 56.287 0.135 0.000 0.897 630 K CB 1.399 34.005 32.500 0.177 0.000 1.283 630 K HN -0.082 nan 8.250 nan 0.000 0.477 631 F N 0.233 120.165 119.950 -0.030 0.000 2.615 631 F HA 0.364 4.902 4.527 0.018 0.000 0.312 631 F C -1.829 173.885 175.800 -0.145 0.000 1.119 631 F CA -1.148 56.739 58.000 -0.188 0.000 0.979 631 F CB 1.527 40.211 39.000 -0.527 0.000 1.266 631 F HN -0.111 nan 8.300 nan 0.000 0.444 632 c N 7.176 125.195 118.600 -0.968 0.000 2.322 632 c HA 0.383 4.964 4.570 0.018 0.000 0.324 632 c C 1.639 174.959 174.090 -1.284 0.000 1.249 632 c CA -0.708 55.150 56.329 -0.785 0.000 1.453 632 c CB 0.468 42.729 42.510 -0.414 0.000 2.145 632 c HN 1.058 nan 8.230 nan 0.000 0.466 633 L N 1.836 122.356 121.223 -1.171 0.000 2.013 633 L HA -0.121 4.230 4.340 0.018 0.000 0.212 633 L C 1.242 177.637 176.870 -0.792 0.000 1.073 633 L CA 1.993 56.102 54.840 -1.219 0.000 0.753 633 L CB -0.143 40.968 42.059 -1.580 0.000 0.890 633 L HN 0.670 nan 8.230 nan 0.000 0.432 634 F N -0.446 119.265 119.950 -0.399 0.000 2.696 634 F HA 0.272 4.810 4.527 0.019 0.000 0.296 634 F C 0.419 176.124 175.800 -0.158 0.000 1.181 634 F CA -0.156 57.705 58.000 -0.232 0.000 1.411 634 F CB -0.606 38.262 39.000 -0.219 0.000 1.014 634 F HN 0.122 nan 8.300 nan 0.000 0.512 635 Q N -0.474 119.269 119.800 -0.095 0.000 2.345 635 Q HA 0.563 4.914 4.340 0.018 0.000 0.275 635 Q C 0.189 176.156 176.000 -0.055 0.000 1.063 635 Q CA -0.302 55.467 55.803 -0.056 0.000 0.819 635 Q CB 2.171 30.861 28.738 -0.080 0.000 1.356 635 Q HN 0.109 nan 8.270 nan 0.000 0.418 636 S N -0.567 115.138 115.700 0.009 0.000 2.857 636 S HA 0.304 4.785 4.470 0.018 0.000 0.238 636 S C -0.304 174.329 174.600 0.056 0.000 0.875 636 S CA 0.008 58.233 58.200 0.041 0.000 1.368 636 S CB -0.071 63.179 63.200 0.084 0.000 1.238 636 S HN 0.987 nan 8.310 nan 0.000 0.635 637 E N 1.286 121.508 120.200 0.036 0.000 2.504 637 E HA 0.010 4.371 4.350 0.018 0.000 0.183 637 E C 1.209 177.848 176.600 0.066 0.000 1.857 637 E CA 1.378 57.800 56.400 0.037 0.000 0.670 637 E CB -2.807 26.911 29.700 0.030 0.000 1.024 637 E HN 2.274 nan 8.360 nan 0.000 0.322 638 T N -2.088 112.507 114.554 0.068 0.000 7.776 638 T HA -0.339 4.022 4.350 0.018 0.000 0.302 638 T C 1.511 176.300 174.700 0.148 0.000 2.093 638 T CA 2.253 64.415 62.100 0.104 0.000 3.360 638 T CB -1.563 67.380 68.868 0.125 0.000 1.793 638 T HN 1.059 nan 8.240 nan 0.000 1.076 639 K N 1.333 121.815 120.400 0.138 0.000 2.211 639 K HA 0.135 4.466 4.320 0.018 0.000 0.201 639 K C 0.811 177.516 176.600 0.174 0.000 1.052 639 K CA 0.696 57.080 56.287 0.161 0.000 0.973 639 K CB -0.185 32.400 32.500 0.141 0.000 0.766 639 K HN 0.705 nan 8.250 nan 0.000 0.466 640 N N 1.130 119.927 118.700 0.163 0.000 2.727 640 N HA -0.182 4.569 4.740 0.018 0.000 0.251 640 N C -1.201 174.437 175.510 0.214 0.000 1.040 640 N CA 0.443 53.608 53.050 0.193 0.000 0.712 640 N CB -1.203 37.412 38.487 0.214 0.000 0.912 640 N HN 0.016 nan 8.380 nan 0.000 0.545 641 L N 1.164 122.504 121.223 0.195 0.000 2.260 641 L HA 0.356 4.707 4.340 0.018 0.000 0.289 641 L C 1.735 178.718 176.870 0.189 0.000 1.057 641 L CA 0.176 55.125 54.840 0.182 0.000 0.811 641 L CB 0.351 42.502 42.059 0.154 0.000 1.184 641 L HN 0.405 nan 8.230 nan 0.000 0.429 642 L N 1.455 122.766 121.223 0.146 0.000 3.015 642 L HA -0.350 4.001 4.340 0.018 0.000 0.389 642 L C -0.196 176.544 176.870 -0.218 0.000 0.737 642 L CA 1.334 56.162 54.840 -0.020 0.000 3.213 642 L CB -1.287 40.712 42.059 -0.100 0.000 0.600 642 L HN 0.389 nan 8.230 nan 0.000 0.774 643 F N -1.024 119.080 119.950 0.258 0.000 2.675 643 F HA 0.504 5.042 4.527 0.018 0.000 0.324 643 F C 0.553 176.477 175.800 0.207 0.000 1.106 643 F CA -0.944 57.217 58.000 0.269 0.000 0.970 643 F CB 0.576 39.758 39.000 0.303 0.000 1.385 643 F HN -0.178 nan 8.300 nan 0.000 0.489 644 N N 1.100 120.018 118.700 0.363 0.000 2.514 644 N HA 0.071 4.822 4.740 0.018 0.000 0.277 644 N C 0.216 175.810 175.510 0.140 0.000 1.126 644 N CA 0.029 53.194 53.050 0.191 0.000 0.978 644 N CB 1.070 39.604 38.487 0.079 0.000 1.106 644 N HN 0.562 nan 8.380 nan 0.000 0.461 645 D N 0.353 120.812 120.400 0.099 0.000 2.221 645 D HA -0.157 4.494 4.640 0.018 0.000 0.204 645 D C 1.031 177.344 176.300 0.022 0.000 0.982 645 D CA 1.148 55.192 54.000 0.073 0.000 0.857 645 D CB -0.013 40.815 40.800 0.047 0.000 0.934 645 D HN 0.605 nan 8.370 nan 0.000 0.475 646 N N 0.378 119.065 118.700 -0.021 0.000 2.322 646 N HA -0.055 4.696 4.740 0.018 0.000 0.216 646 N C -0.512 175.009 175.510 0.018 0.000 1.144 646 N CA 0.036 53.067 53.050 -0.032 0.000 0.830 646 N CB -0.205 38.223 38.487 -0.098 0.000 1.034 646 N HN -0.203 nan 8.380 nan 0.000 0.484 647 T N 0.876 115.366 114.554 -0.107 0.000 2.851 647 T HA 0.014 4.375 4.350 0.018 0.000 0.298 647 T C 1.108 175.523 174.700 -0.476 0.000 0.977 647 T CA -0.314 61.553 62.100 -0.389 0.000 1.126 647 T CB 2.181 70.484 68.868 -0.941 0.000 0.916 647 T HN 0.324 nan 8.240 nan 0.000 0.529 648 E N 1.208 121.201 120.200 -0.345 0.000 2.102 648 E HA 0.007 4.368 4.350 0.018 0.000 0.190 648 E C 0.794 177.265 176.600 -0.216 0.000 0.971 648 E CA 0.527 56.807 56.400 -0.200 0.000 0.821 648 E CB 0.320 29.955 29.700 -0.108 0.000 0.777 648 E HN 0.843 nan 8.360 nan 0.000 0.460 649 c N -1.622 116.786 118.600 -0.320 0.000 3.284 649 c HA 0.591 5.172 4.570 0.018 0.000 0.348 649 c C -1.258 172.668 174.090 -0.274 0.000 1.448 649 c CA -1.311 54.888 56.329 -0.218 0.000 1.223 649 c CB 0.274 42.753 42.510 -0.052 0.000 1.588 649 c HN 0.173 nan 8.230 nan 0.000 0.451 650 L N 2.317 123.480 121.223 -0.099 0.000 2.265 650 L HA 0.700 5.051 4.340 0.018 0.000 0.289 650 L C 0.614 177.482 176.870 -0.002 0.000 1.033 650 L CA 0.042 54.867 54.840 -0.026 0.000 0.814 650 L CB 1.154 43.267 42.059 0.090 0.000 1.203 650 L HN 1.060 nan 8.230 nan 0.000 0.423 651 A N 4.665 127.477 122.820 -0.012 0.000 2.346 651 A HA 0.758 5.089 4.320 0.018 0.000 0.313 651 A C -0.395 177.184 177.584 -0.008 0.000 1.140 651 A CA -0.820 51.216 52.037 -0.001 0.000 0.826 651 A CB 1.151 20.152 19.000 0.001 0.000 1.332 651 A HN 0.684 nan 8.150 nan 0.000 0.457 652 R N 0.323 120.785 120.500 -0.064 0.000 2.490 652 R HA 0.263 4.615 4.340 0.018 0.000 0.280 652 R C 0.216 176.342 176.300 -0.290 0.000 1.077 652 R CA -0.349 55.640 56.100 -0.186 0.000 1.065 652 R CB 0.470 30.597 30.300 -0.288 0.000 1.003 652 R HN 0.666 nan 8.270 nan 0.000 0.470 653 L N 1.902 123.005 121.223 -0.201 0.000 2.418 653 L HA -0.024 4.327 4.340 0.018 0.000 0.218 653 L C 0.127 176.982 176.870 -0.025 0.000 1.125 653 L CA 0.227 55.043 54.840 -0.039 0.000 0.835 653 L CB -0.395 41.678 42.059 0.024 0.000 0.953 653 L HN 0.737 nan 8.230 nan 0.000 0.454 654 H N -0.358 118.756 119.070 0.074 0.000 2.862 654 H HA -0.180 4.387 4.556 0.018 0.000 0.290 654 H C 1.420 176.785 175.328 0.061 0.000 1.211 654 H CA 0.795 56.879 56.048 0.060 0.000 1.140 654 H CB -1.610 28.186 29.762 0.057 0.000 1.341 654 H HN 0.573 nan 8.280 nan 0.000 0.392 655 G N -0.310 108.548 108.800 0.096 0.000 2.313 655 G HA2 -0.284 3.687 3.960 0.018 0.000 0.215 655 G HA3 -0.284 3.687 3.960 0.018 0.000 0.215 655 G C 0.377 175.335 174.900 0.096 0.000 1.023 655 G CA 0.050 45.205 45.100 0.092 0.000 0.626 655 G HN 0.416 nan 8.290 nan 0.000 0.503 656 K N 2.250 122.732 120.400 0.136 0.000 2.111 656 K HA 0.392 4.723 4.320 0.018 0.000 0.249 656 K C 0.651 177.341 176.600 0.149 0.000 1.157 656 K CA 0.645 57.029 56.287 0.160 0.000 1.048 656 K CB 0.189 32.839 32.500 0.250 0.000 1.498 656 K HN 0.450 nan 8.250 nan 0.000 0.344 657 T N -2.041 112.569 114.554 0.093 0.000 3.215 657 T HA 0.031 4.392 4.350 0.018 0.000 0.271 657 T C 0.384 175.124 174.700 0.067 0.000 1.012 657 T CA -0.508 61.629 62.100 0.062 0.000 0.899 657 T CB -0.094 68.798 68.868 0.041 0.000 1.089 657 T HN 0.485 nan 8.240 nan 0.000 0.552 658 T N -1.234 113.375 114.554 0.091 0.000 2.900 658 T HA 0.438 4.799 4.350 0.018 0.000 0.295 658 T C 0.841 175.623 174.700 0.137 0.000 1.044 658 T CA -0.879 61.277 62.100 0.094 0.000 0.995 658 T CB 1.377 70.258 68.868 0.023 0.000 1.072 658 T HN 0.191 nan 8.240 nan 0.000 0.473 659 Y N 1.448 121.811 120.300 0.104 0.000 2.139 659 Y HA -0.145 4.415 4.550 0.016 0.000 0.282 659 Y C 1.905 177.929 175.900 0.208 0.000 1.179 659 Y CA 1.825 60.024 58.100 0.165 0.000 1.161 659 Y CB -0.821 37.702 38.460 0.104 0.000 0.970 659 Y HN 0.762 nan 8.280 nan 0.000 0.511 660 E N 0.667 120.478 120.200 -0.649 0.000 2.051 660 E HA -0.163 4.198 4.350 0.018 0.000 0.192 660 E C 2.143 178.686 176.600 -0.096 0.000 0.991 660 E CA 1.544 57.673 56.400 -0.453 0.000 0.799 660 E CB -0.125 29.263 29.700 -0.520 0.000 0.748 660 E HN 0.557 nan 8.360 nan 0.000 0.449 661 K N -0.159 120.220 120.400 -0.035 0.000 2.057 661 K HA -0.166 4.165 4.320 0.018 0.000 0.206 661 K C 2.118 178.790 176.600 0.120 0.000 1.050 661 K CA 1.129 57.443 56.287 0.045 0.000 0.935 661 K CB -0.205 32.334 32.500 0.065 0.000 0.715 661 K HN 0.132 nan 8.250 nan 0.000 0.439 662 Y N 1.620 121.954 120.300 0.057 0.000 2.133 662 Y HA -0.161 4.399 4.550 0.017 0.000 0.287 662 Y C 1.769 177.746 175.900 0.127 0.000 1.134 662 Y CA 1.424 59.585 58.100 0.102 0.000 1.133 662 Y CB -0.140 38.400 38.460 0.133 0.000 0.987 662 Y HN -0.082 nan 8.280 nan 0.000 0.502 663 L N -0.449 120.876 121.223 0.170 0.000 2.156 663 L HA 0.138 4.489 4.340 0.018 0.000 0.208 663 L C 1.032 177.975 176.870 0.122 0.000 1.095 663 L CA 0.673 55.623 54.840 0.183 0.000 0.770 663 L CB -1.021 41.327 42.059 0.481 0.000 0.914 663 L HN 0.459 nan 8.230 nan 0.000 0.439 664 G N -0.904 107.950 108.800 0.091 0.000 2.712 664 G HA2 -0.125 3.846 3.960 0.018 0.000 0.686 664 G HA3 -0.125 3.846 3.960 0.018 0.000 0.686 664 G C -2.210 172.744 174.900 0.091 0.000 1.181 664 G CA -0.461 44.678 45.100 0.065 0.000 0.762 664 G HN -0.102 nan 8.290 nan 0.000 0.641 665 P HA -0.237 nan 4.420 nan 0.000 0.215 665 P C 1.719 179.060 177.300 0.068 0.000 1.163 665 P CA 2.239 65.368 63.100 0.048 0.000 0.894 665 P CB 0.035 31.754 31.700 0.032 0.000 0.791 666 Q N -1.239 118.606 119.800 0.076 0.000 2.020 666 Q HA -0.208 4.143 4.340 0.018 0.000 0.202 666 Q C 2.415 178.497 176.000 0.136 0.000 0.982 666 Q CA 1.389 57.245 55.803 0.089 0.000 0.838 666 Q CB -1.560 27.221 28.738 0.071 0.000 0.899 666 Q HN 0.195 nan 8.270 nan 0.000 0.423 667 Y N 1.326 121.633 120.300 0.010 0.000 2.069 667 Y HA -0.270 4.292 4.550 0.021 0.000 0.278 667 Y C 2.148 178.062 175.900 0.023 0.000 1.175 667 Y CA 1.338 59.445 58.100 0.011 0.000 1.134 667 Y CB -0.562 37.905 38.460 0.011 0.000 0.965 667 Y HN -0.051 nan 8.280 nan 0.000 0.498 668 V N 0.178 120.106 119.914 0.023 0.000 2.594 668 V HA -0.302 3.829 4.120 0.018 0.000 0.253 668 V C 2.607 178.693 176.094 -0.012 0.000 1.069 668 V CA 1.596 63.902 62.300 0.010 0.000 1.082 668 V CB -1.666 30.259 31.823 0.170 0.000 0.680 668 V HN 0.539 nan 8.190 nan 0.000 0.469 669 A N 0.678 123.506 122.820 0.014 0.000 1.897 669 A HA 0.010 4.341 4.320 0.018 0.000 0.215 669 A C 2.426 180.003 177.584 -0.012 0.000 1.181 669 A CA 1.683 53.735 52.037 0.025 0.000 0.620 669 A CB -1.092 17.936 19.000 0.046 0.000 0.821 669 A HN 0.495 nan 8.150 nan 0.000 0.443 670 G N 0.255 109.034 108.800 -0.036 0.000 2.421 670 G HA2 -0.185 3.786 3.960 0.018 0.000 0.216 670 G HA3 -0.185 3.786 3.960 0.018 0.000 0.216 670 G C 1.519 176.327 174.900 -0.153 0.000 1.171 670 G CA 1.143 46.217 45.100 -0.044 0.000 0.775 670 G HN 0.468 nan 8.290 nan 0.000 0.543 671 I N 0.832 121.187 120.570 -0.357 0.000 2.226 671 I HA -0.177 4.005 4.170 0.018 0.000 0.245 671 I C 2.955 178.843 176.117 -0.382 0.000 1.100 671 I CA 1.438 62.436 61.300 -0.503 0.000 1.374 671 I CB -0.659 36.745 38.000 -0.993 0.000 1.057 671 I HN 0.087 nan 8.210 nan 0.000 0.413 672 T N 0.545 114.921 114.554 -0.296 0.000 2.720 672 T HA -0.186 4.175 4.350 0.018 0.000 0.268 672 T C 1.811 176.490 174.700 -0.034 0.000 1.037 672 T CA 1.418 63.469 62.100 -0.082 0.000 1.144 672 T CB -0.357 68.547 68.868 0.061 0.000 0.864 672 T HN 0.341 nan 8.240 nan 0.000 0.444 673 N N 0.785 119.466 118.700 -0.032 0.000 2.188 673 N HA 0.031 4.782 4.740 0.018 0.000 0.184 673 N C 1.912 177.359 175.510 -0.104 0.000 1.018 673 N CA 0.797 53.858 53.050 0.017 0.000 0.858 673 N CB -0.197 38.361 38.487 0.119 0.000 0.989 673 N HN 0.336 nan 8.380 nan 0.000 0.426 674 L N 1.247 122.355 121.223 -0.192 0.000 2.027 674 L HA -0.133 4.218 4.340 0.018 0.000 0.206 674 L C 2.212 179.029 176.870 -0.088 0.000 1.074 674 L CA 1.070 55.761 54.840 -0.250 0.000 0.745 674 L CB -0.339 41.608 42.059 -0.187 0.000 0.898 674 L HN 0.042 nan 8.230 nan 0.000 0.433 675 K N 0.684 121.039 120.400 -0.075 0.000 2.160 675 K HA -0.183 4.148 4.320 0.018 0.000 0.206 675 K C 1.830 178.441 176.600 0.019 0.000 1.047 675 K CA 1.203 57.486 56.287 -0.007 0.000 0.930 675 K CB -0.323 32.188 32.500 0.017 0.000 0.720 675 K HN 0.402 nan 8.250 nan 0.000 0.450 676 K N -0.096 120.307 120.400 0.004 0.000 2.360 676 K HA -0.073 4.258 4.320 0.018 0.000 0.201 676 K C 2.139 178.750 176.600 0.018 0.000 1.046 676 K CA 0.975 57.278 56.287 0.026 0.000 0.945 676 K CB -0.197 32.331 32.500 0.046 0.000 0.750 676 K HN 0.119 nan 8.250 nan 0.000 0.464 677 c N 0.940 119.537 118.600 -0.005 0.000 2.464 677 c HA 0.026 4.607 4.570 0.018 0.000 0.278 677 c C 0.963 175.076 174.090 0.037 0.000 1.375 677 c CA 0.120 56.444 56.329 -0.008 0.000 1.761 677 c CB -0.633 41.826 42.510 -0.086 0.000 1.944 677 c HN 0.488 nan 8.230 nan 0.000 0.509 678 S N -0.845 114.892 115.700 0.061 0.000 2.602 678 S HA 0.402 4.883 4.470 0.018 0.000 0.301 678 S C -0.819 173.808 174.600 0.045 0.000 1.091 678 S CA -0.498 57.734 58.200 0.053 0.000 0.895 678 S CB 0.443 63.684 63.200 0.069 0.000 1.090 678 S HN 0.378 nan 8.310 nan 0.000 0.449 679 T N 0.054 114.628 114.554 0.033 0.000 2.936 679 T HA 0.879 5.240 4.350 0.018 0.000 0.282 679 T C 0.385 175.093 174.700 0.012 0.000 1.003 679 T CA -0.418 61.701 62.100 0.032 0.000 1.005 679 T CB 1.247 70.136 68.868 0.036 0.000 1.097 679 T HN 1.331 nan 8.240 nan 0.000 0.532 680 S N 0.051 115.756 115.700 0.009 0.000 2.722 680 S HA 0.477 4.958 4.470 0.018 0.000 0.292 680 S C -2.086 172.505 174.600 -0.015 0.000 1.135 680 S CA -1.550 56.644 58.200 -0.010 0.000 1.003 680 S CB 0.962 64.153 63.200 -0.015 0.000 1.067 680 S HN 0.474 nan 8.310 nan 0.000 0.546 681 P HA -0.107 nan 4.420 nan 0.000 0.216 681 P C 1.530 178.809 177.300 -0.033 0.000 1.150 681 P CA 0.547 63.626 63.100 -0.035 0.000 0.843 681 P CB 0.019 31.693 31.700 -0.043 0.000 0.787 682 L N -1.412 119.791 121.223 -0.033 0.000 2.056 682 L HA -0.117 4.234 4.340 0.018 0.000 0.207 682 L C 2.069 178.922 176.870 -0.027 0.000 1.078 682 L CA 1.762 56.581 54.840 -0.035 0.000 0.749 682 L CB -1.286 40.746 42.059 -0.044 0.000 0.901 682 L HN -0.123 nan 8.230 nan 0.000 0.433 683 L N -0.619 120.594 121.223 -0.016 0.000 2.156 683 L HA -0.108 4.243 4.340 0.018 0.000 0.208 683 L C 2.464 179.333 176.870 -0.002 0.000 1.095 683 L CA 1.462 56.292 54.840 -0.016 0.000 0.770 683 L CB -0.707 41.359 42.059 0.012 0.000 0.914 683 L HN 0.347 nan 8.230 nan 0.000 0.439 684 E N -0.779 119.422 120.200 0.003 0.000 2.072 684 E HA -0.204 4.157 4.350 0.018 0.000 0.191 684 E C 2.155 178.776 176.600 0.035 0.000 0.985 684 E CA 1.149 57.558 56.400 0.015 0.000 0.801 684 E CB -0.115 29.581 29.700 -0.008 0.000 0.750 684 E HN 0.528 nan 8.360 nan 0.000 0.452 685 A N 1.183 124.010 122.820 0.011 0.000 1.851 685 A HA -0.232 4.099 4.320 0.018 0.000 0.216 685 A C 2.564 180.203 177.584 0.091 0.000 1.195 685 A CA 1.672 53.728 52.037 0.032 0.000 0.622 685 A CB -1.090 17.905 19.000 -0.009 0.000 0.831 685 A HN 0.379 nan 8.150 nan 0.000 0.444 686 c N -1.019 117.601 118.600 0.032 0.000 2.419 686 c HA -0.046 4.535 4.570 0.018 0.000 0.281 686 c C 2.673 176.773 174.090 0.018 0.000 1.336 686 c CA 1.271 57.605 56.329 0.009 0.000 1.770 686 c CB -1.239 41.239 42.510 -0.052 0.000 1.929 686 c HN 0.641 nan 8.230 nan 0.000 0.509 687 E N 0.203 120.426 120.200 0.038 0.000 2.106 687 E HA -0.108 4.254 4.350 0.018 0.000 0.192 687 E C 1.674 178.301 176.600 0.045 0.000 0.984 687 E CA 0.768 57.186 56.400 0.030 0.000 0.806 687 E CB -0.505 29.219 29.700 0.039 0.000 0.750 687 E HN 0.692 nan 8.360 nan 0.000 0.458 688 F N 0.737 120.668 119.950 -0.032 0.000 2.069 688 F HA -0.150 4.388 4.527 0.018 0.000 0.298 688 F C 1.641 177.416 175.800 -0.042 0.000 1.113 688 F CA 1.421 59.406 58.000 -0.026 0.000 1.214 688 F CB -0.167 38.822 39.000 -0.017 0.000 0.978 688 F HN -0.032 nan 8.300 nan 0.000 0.474 689 L N 0.148 121.399 121.223 0.047 0.000 2.551 689 L HA -0.059 4.292 4.340 0.018 0.000 0.228 689 L C 2.097 178.869 176.870 -0.164 0.000 1.153 689 L CA 0.284 55.066 54.840 -0.096 0.000 0.851 689 L CB -0.568 41.503 42.059 0.019 0.000 0.959 689 L HN 0.128 nan 8.230 nan 0.000 0.451 690 R N 0.181 120.599 120.500 -0.135 0.000 2.146 690 R HA 0.141 4.492 4.340 0.018 0.000 0.206 690 R C 0.881 177.104 176.300 -0.127 0.000 1.049 690 R CA 0.052 56.084 56.100 -0.114 0.000 1.029 690 R CB -0.187 30.071 30.300 -0.071 0.000 0.949 690 R HN 0.299 nan 8.270 nan 0.000 0.471 691 K N 0.000 120.313 120.400 -0.145 0.000 2.780 691 K HA 0.000 4.331 4.320 0.018 0.000 0.191 691 K CA 0.000 56.218 56.287 -0.115 0.000 0.838 691 K CB 0.000 32.406 32.500 -0.157 0.000 1.064 691 K HN 0.000 nan 8.250 nan 0.000 0.543