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 3det_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR AGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLASA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.296 176.300 -0.006 0.000 0.893 18 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 18 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 19 R N 2.048 122.545 120.500 -0.006 0.000 2.133 19 R HA -0.163 4.176 4.340 -0.001 0.000 0.247 19 R C 2.024 178.320 176.300 -0.007 0.000 1.151 19 R CA 2.706 58.803 56.100 -0.005 0.000 0.971 19 R CB -0.553 29.744 30.300 -0.004 0.000 0.866 19 R HN 0.555 nan 8.270 nan 0.000 0.447 20 Q N -0.559 119.236 119.800 -0.009 0.000 1.990 20 Q HA -0.158 4.181 4.340 -0.001 0.000 0.200 20 Q C 2.003 177.995 176.000 -0.013 0.000 0.980 20 Q CA 1.696 57.492 55.803 -0.012 0.000 0.832 20 Q CB -0.332 28.396 28.738 -0.016 0.000 0.897 20 Q HN 0.360 nan 8.270 nan 0.000 0.427 21 L N 1.229 122.443 121.223 -0.014 0.000 1.991 21 L HA -0.286 4.054 4.340 -0.001 0.000 0.221 21 L C 2.271 179.136 176.870 -0.009 0.000 1.079 21 L CA 2.019 56.851 54.840 -0.014 0.000 0.778 21 L CB -0.644 41.408 42.059 -0.011 0.000 0.893 21 L HN 0.421 nan 8.230 nan 0.000 0.437 22 I N -1.119 119.447 120.570 -0.006 0.000 2.185 22 I HA -0.386 3.783 4.170 -0.001 0.000 0.246 22 I C 2.639 178.753 176.117 -0.004 0.000 1.088 22 I CA 1.620 62.917 61.300 -0.004 0.000 1.347 22 I CB -0.427 37.571 38.000 -0.004 0.000 1.041 22 I HN 0.355 nan 8.210 nan 0.000 0.415 23 R N 1.264 121.761 120.500 -0.005 0.000 2.096 23 R HA -0.176 4.163 4.340 -0.001 0.000 0.235 23 R C 2.110 178.407 176.300 -0.004 0.000 1.127 23 R CA 1.714 57.812 56.100 -0.005 0.000 0.968 23 R CB -0.473 29.824 30.300 -0.006 0.000 0.861 23 R HN 0.441 nan 8.270 nan 0.000 0.440 24 Q N -0.152 119.644 119.800 -0.007 0.000 2.020 24 Q HA -0.050 4.289 4.340 -0.001 0.000 0.198 24 Q C 2.214 178.213 176.000 -0.000 0.000 0.974 24 Q CA 1.630 57.429 55.803 -0.006 0.000 0.829 24 Q CB -0.206 28.523 28.738 -0.015 0.000 0.894 24 Q HN 0.287 nan 8.270 nan 0.000 0.433 25 L N 0.597 121.819 121.223 -0.001 0.000 1.978 25 L HA -0.279 4.060 4.340 -0.001 0.000 0.218 25 L C 2.376 179.247 176.870 0.002 0.000 1.075 25 L CA 1.404 56.245 54.840 0.002 0.000 0.767 25 L CB -0.797 41.262 42.059 0.001 0.000 0.890 25 L HN 0.294 nan 8.230 nan 0.000 0.434 26 L N -0.694 120.530 121.223 0.001 0.000 2.351 26 L HA -0.195 4.145 4.340 -0.001 0.000 0.220 26 L C 2.212 179.083 176.870 0.002 0.000 1.127 26 L CA 0.883 55.724 54.840 0.000 0.000 0.786 26 L CB -0.407 41.652 42.059 -0.001 0.000 0.914 26 L HN 0.299 nan 8.230 nan 0.000 0.443 27 E N -0.692 119.510 120.200 0.003 0.000 2.476 27 E HA 0.083 4.432 4.350 -0.001 0.000 0.199 27 E C 0.709 177.315 176.600 0.010 0.000 1.021 27 E CA -0.070 56.333 56.400 0.006 0.000 0.907 27 E CB 0.212 29.915 29.700 0.006 0.000 0.974 27 E HN 0.318 nan 8.360 nan 0.000 0.489 28 R N 1.902 122.409 120.500 0.011 0.000 2.756 28 R HA -0.086 4.254 4.340 -0.001 0.000 0.264 28 R C -0.357 175.951 176.300 0.013 0.000 1.026 28 R CA 0.491 56.601 56.100 0.017 0.000 1.121 28 R CB 0.182 30.492 30.300 0.017 0.000 0.999 28 R HN -0.123 nan 8.270 nan 0.000 0.449 29 D N 1.676 122.087 120.400 0.018 0.000 2.812 29 D HA -0.156 4.484 4.640 -0.001 0.000 0.237 29 D C -1.377 174.927 176.300 0.006 0.000 1.162 29 D CA 1.228 55.234 54.000 0.010 0.000 0.740 29 D CB -0.488 40.311 40.800 -0.002 0.000 1.000 29 D HN 0.537 nan 8.370 nan 0.000 0.416 30 K N 1.215 121.623 120.400 0.013 0.000 2.827 30 K HA 0.256 4.575 4.320 -0.001 0.000 0.186 30 K C -0.579 176.031 176.600 0.016 0.000 1.093 30 K CA -0.663 55.630 56.287 0.011 0.000 0.993 30 K CB 1.064 33.570 32.500 0.010 0.000 1.199 30 K HN 0.062 nan 8.250 nan 0.000 0.598 31 T N 3.067 117.630 114.554 0.015 0.000 2.794 31 T HA 0.172 4.522 4.350 -0.001 0.000 0.296 31 T C -2.249 172.463 174.700 0.019 0.000 0.949 31 T CA -1.455 60.657 62.100 0.020 0.000 1.101 31 T CB 0.387 69.266 68.868 0.019 0.000 0.905 31 T HN 0.157 nan 8.240 nan 0.000 0.516 32 P HA 0.022 nan 4.420 nan 0.000 0.258 32 P C 1.086 178.400 177.300 0.024 0.000 1.172 32 P CA -0.075 63.037 63.100 0.020 0.000 0.762 32 P CB 0.356 32.069 31.700 0.022 0.000 0.764 33 L N 3.617 124.852 121.223 0.021 0.000 2.197 33 L HA -0.317 4.022 4.340 -0.001 0.000 0.215 33 L C 1.998 178.899 176.870 0.053 0.000 1.095 33 L CA 2.040 56.900 54.840 0.033 0.000 0.764 33 L CB -0.413 41.657 42.059 0.018 0.000 0.897 33 L HN 0.418 nan 8.230 nan 0.000 0.436 34 A N 0.287 123.125 122.820 0.030 0.000 1.877 34 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 34 A C 2.098 179.710 177.584 0.046 0.000 1.186 34 A CA 2.024 54.079 52.037 0.031 0.000 0.620 34 A CB -0.756 18.252 19.000 0.013 0.000 0.822 34 A HN 0.515 nan 8.150 nan 0.000 0.443 35 I N -0.229 120.360 120.570 0.032 0.000 2.226 35 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 35 I C 2.430 178.559 176.117 0.021 0.000 1.100 35 I CA 1.086 62.399 61.300 0.021 0.000 1.374 35 I CB -0.467 37.547 38.000 0.023 0.000 1.057 35 I HN 0.308 nan 8.210 nan 0.000 0.413 36 L N -0.036 121.210 121.223 0.038 0.000 1.970 36 L HA -0.266 4.074 4.340 -0.001 0.000 0.212 36 L C 2.660 179.552 176.870 0.037 0.000 1.071 36 L CA 1.713 56.574 54.840 0.035 0.000 0.751 36 L CB -0.806 41.279 42.059 0.044 0.000 0.889 36 L HN 0.190 nan 8.230 nan 0.000 0.432 37 F N -0.111 119.803 119.950 -0.061 0.000 2.250 37 F HA -0.268 4.258 4.527 -0.002 0.000 0.301 37 F C 2.470 178.198 175.800 -0.120 0.000 1.077 37 F CA 1.368 59.320 58.000 -0.080 0.000 1.348 37 F CB 0.021 38.971 39.000 -0.083 0.000 1.040 37 F HN 0.027 nan 8.300 nan 0.000 0.509 38 M N -0.214 119.353 119.600 -0.055 0.000 2.288 38 M HA 0.032 4.511 4.480 -0.001 0.000 0.266 38 M C 2.532 178.718 176.300 -0.189 0.000 1.072 38 M CA 1.220 56.415 55.300 -0.175 0.000 1.132 38 M CB -1.683 30.842 32.600 -0.125 0.000 1.386 38 M HN 0.280 nan 8.290 nan 0.000 0.432 39 A N 0.509 123.254 122.820 -0.124 0.000 1.940 39 A HA -0.045 4.274 4.320 -0.001 0.000 0.219 39 A C 2.429 179.933 177.584 -0.133 0.000 1.176 39 A CA 2.079 54.058 52.037 -0.096 0.000 0.631 39 A CB -0.848 18.125 19.000 -0.046 0.000 0.814 39 A HN 0.450 nan 8.150 nan 0.000 0.446 40 A N -0.530 122.170 122.820 -0.199 0.000 1.865 40 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 40 A C 2.406 179.847 177.584 -0.239 0.000 1.191 40 A CA 2.094 53.993 52.037 -0.230 0.000 0.623 40 A CB -1.257 17.540 19.000 -0.339 0.000 0.826 40 A HN 1.052 nan 8.150 nan 0.000 0.444 41 V N -0.247 119.472 119.914 -0.324 0.000 2.343 41 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 41 V C 2.303 178.306 176.094 -0.152 0.000 1.051 41 V CA 2.451 64.603 62.300 -0.247 0.000 1.036 41 V CB -0.629 31.024 31.823 -0.283 0.000 0.654 41 V HN 0.313 nan 8.190 nan 0.000 0.451 42 V N 1.460 121.285 119.914 -0.148 0.000 2.220 42 V HA -0.267 3.852 4.120 -0.001 0.000 0.250 42 V C 2.826 178.865 176.094 -0.091 0.000 1.056 42 V CA 2.667 64.902 62.300 -0.108 0.000 1.016 42 V CB -1.815 29.950 31.823 -0.097 0.000 0.639 42 V HN 0.656 nan 8.190 nan 0.000 0.446 43 G N -0.765 107.983 108.800 -0.088 0.000 2.476 43 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.218 43 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.218 43 G C 1.657 176.519 174.900 -0.063 0.000 1.164 43 G CA 1.696 46.754 45.100 -0.070 0.000 0.768 43 G HN 0.499 nan 8.290 nan 0.000 0.560 44 T N 1.490 116.001 114.554 -0.071 0.000 2.699 44 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 44 T C 2.389 177.059 174.700 -0.050 0.000 1.036 44 T CA 1.287 63.353 62.100 -0.056 0.000 1.147 44 T CB -0.235 68.592 68.868 -0.069 0.000 0.862 44 T HN 0.187 nan 8.240 nan 0.000 0.446 45 L N 0.505 121.693 121.223 -0.059 0.000 2.007 45 L HA -0.057 4.282 4.340 -0.001 0.000 0.205 45 L C 2.757 179.596 176.870 -0.052 0.000 1.073 45 L CA 0.892 55.701 54.840 -0.051 0.000 0.744 45 L CB -0.912 41.114 42.059 -0.055 0.000 0.898 45 L HN 0.115 nan 8.230 nan 0.000 0.435 46 V N 0.641 120.517 119.914 -0.062 0.000 2.317 46 V HA -0.285 3.834 4.120 -0.001 0.000 0.251 46 V C 2.599 178.652 176.094 -0.067 0.000 1.065 46 V CA 2.114 64.373 62.300 -0.069 0.000 1.049 46 V CB -1.561 30.215 31.823 -0.079 0.000 0.651 46 V HN 0.609 nan 8.190 nan 0.000 0.450 47 G N -0.080 108.686 108.800 -0.056 0.000 2.552 47 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 47 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 47 G C 1.524 176.380 174.900 -0.073 0.000 1.240 47 G CA 1.149 46.225 45.100 -0.040 0.000 0.796 47 G HN 0.442 nan 8.290 nan 0.000 0.568 48 L N 0.867 122.031 121.223 -0.099 0.000 2.064 48 L HA -0.257 4.082 4.340 -0.001 0.000 0.216 48 L C 3.423 180.215 176.870 -0.129 0.000 1.077 48 L CA 1.454 56.193 54.840 -0.169 0.000 0.766 48 L CB -0.570 41.425 42.059 -0.108 0.000 0.890 48 L HN 0.361 nan 8.230 nan 0.000 0.435 49 A N -0.288 122.497 122.820 -0.057 0.000 1.898 49 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 49 A C 2.532 180.096 177.584 -0.034 0.000 1.181 49 A CA 1.678 53.718 52.037 0.005 0.000 0.620 49 A CB -0.619 18.392 19.000 0.018 0.000 0.819 49 A HN 0.423 nan 8.150 nan 0.000 0.442 50 A N -0.531 122.250 122.820 -0.065 0.000 1.898 50 A HA 0.036 4.355 4.320 -0.001 0.000 0.216 50 A C 2.225 179.808 177.584 -0.003 0.000 1.181 50 A CA 1.677 53.680 52.037 -0.057 0.000 0.620 50 A CB -0.943 18.019 19.000 -0.063 0.000 0.819 50 A HN 0.361 nan 8.150 nan 0.000 0.442 51 V N 0.022 119.898 119.914 -0.062 0.000 2.255 51 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 51 V C 3.086 179.107 176.094 -0.122 0.000 1.051 51 V CA 2.161 64.376 62.300 -0.141 0.000 1.018 51 V CB -1.339 30.203 31.823 -0.469 0.000 0.641 51 V HN 0.620 nan 8.190 nan 0.000 0.445 52 A N -0.610 122.141 122.820 -0.115 0.000 1.908 52 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 52 A C 2.118 179.641 177.584 -0.103 0.000 1.181 52 A CA 2.135 54.144 52.037 -0.047 0.000 0.627 52 A CB -0.768 18.275 19.000 0.073 0.000 0.818 52 A HN 0.527 nan 8.150 nan 0.000 0.445 53 F N 1.221 120.924 119.950 -0.411 0.000 2.065 53 F HA -0.238 4.288 4.527 -0.002 0.000 0.298 53 F C 1.974 177.582 175.800 -0.321 0.000 1.112 53 F CA 2.369 59.969 58.000 -0.668 0.000 1.212 53 F CB -0.366 38.237 39.000 -0.660 0.000 0.975 53 F HN 0.344 nan 8.300 nan 0.000 0.476 54 D N 0.087 120.422 120.400 -0.109 0.000 2.117 54 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 54 D C 2.057 178.294 176.300 -0.105 0.000 0.987 54 D CA 1.319 55.281 54.000 -0.062 0.000 0.829 54 D CB -0.115 40.744 40.800 0.098 0.000 0.961 54 D HN 0.224 nan 8.370 nan 0.000 0.460 55 K N 0.080 120.433 120.400 -0.077 0.000 2.026 55 K HA -0.056 4.263 4.320 -0.001 0.000 0.208 55 K C 2.247 178.833 176.600 -0.024 0.000 1.048 55 K CA 1.147 57.423 56.287 -0.018 0.000 0.929 55 K CB -0.887 31.617 32.500 0.006 0.000 0.713 55 K HN 0.239 nan 8.250 nan 0.000 0.439 56 G N 1.807 110.529 108.800 -0.129 0.000 2.514 56 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.217 56 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.217 56 G C 1.746 176.585 174.900 -0.102 0.000 1.198 56 G CA 1.454 46.473 45.100 -0.135 0.000 0.780 56 G HN 0.120 nan 8.290 nan 0.000 0.565 57 V N 1.860 121.587 119.914 -0.311 0.000 2.282 57 V HA -0.224 3.895 4.120 -0.001 0.000 0.249 57 V C 3.368 179.436 176.094 -0.044 0.000 1.057 57 V CA 2.285 64.442 62.300 -0.238 0.000 1.032 57 V CB -1.245 30.370 31.823 -0.346 0.000 0.645 57 V HN 0.537 nan 8.190 nan 0.000 0.447 58 A N -0.822 121.989 122.820 -0.014 0.000 1.873 58 A HA -0.331 3.988 4.320 -0.001 0.000 0.218 58 A C 1.983 179.624 177.584 0.094 0.000 1.193 58 A CA 2.324 54.388 52.037 0.045 0.000 0.629 58 A CB -1.153 17.879 19.000 0.054 0.000 0.826 58 A HN 0.741 nan 8.150 nan 0.000 0.447 59 W N 0.345 121.612 121.300 -0.055 0.000 2.321 59 W HA -0.204 4.455 4.660 -0.002 0.000 0.306 59 W C 1.820 178.316 176.519 -0.037 0.000 1.217 59 W CA 2.104 59.426 57.345 -0.037 0.000 1.257 59 W CB -0.183 29.256 29.460 -0.036 0.000 1.145 59 W HN 0.296 nan 8.180 nan 0.000 0.509 60 L N -0.205 121.204 121.223 0.310 0.000 2.095 60 L HA -0.174 4.165 4.340 -0.001 0.000 0.204 60 L C 2.525 179.405 176.870 0.018 0.000 1.080 60 L CA 1.301 56.264 54.840 0.206 0.000 0.759 60 L CB -1.001 41.182 42.059 0.207 0.000 0.914 60 L HN -0.025 nan 8.230 nan 0.000 0.439 61 Q N -0.393 119.417 119.800 0.016 0.000 2.291 61 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 61 Q C 1.836 177.807 176.000 -0.049 0.000 0.976 61 Q CA 1.132 56.933 55.803 -0.003 0.000 0.875 61 Q CB -0.208 28.540 28.738 0.017 0.000 0.927 61 Q HN 0.532 nan 8.270 nan 0.000 0.450 62 N N -0.306 118.325 118.700 -0.114 0.000 2.132 62 N HA -0.151 4.588 4.740 -0.001 0.000 0.187 62 N C 1.671 177.038 175.510 -0.239 0.000 1.038 62 N CA 0.683 53.624 53.050 -0.182 0.000 0.846 62 N CB 0.273 38.596 38.487 -0.274 0.000 1.012 62 N HN 0.189 nan 8.380 nan 0.000 0.429 63 Q N 1.096 120.672 119.800 -0.373 0.000 2.096 63 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 63 Q C 1.971 177.851 176.000 -0.201 0.000 0.982 63 Q CA 1.178 56.764 55.803 -0.361 0.000 0.850 63 Q CB -0.553 27.915 28.738 -0.450 0.000 0.901 63 Q HN 0.431 nan 8.270 nan 0.000 0.422 64 R N 0.045 120.468 120.500 -0.129 0.000 2.105 64 R HA -0.111 4.228 4.340 -0.001 0.000 0.239 64 R C 2.324 178.587 176.300 -0.063 0.000 1.135 64 R CA 1.546 57.603 56.100 -0.072 0.000 0.967 64 R CB -0.398 29.887 30.300 -0.026 0.000 0.861 64 R HN 0.208 nan 8.270 nan 0.000 0.442 65 M N 0.083 119.650 119.600 -0.056 0.000 2.059 65 M HA -0.088 4.391 4.480 -0.001 0.000 0.259 65 M C 2.253 178.530 176.300 -0.040 0.000 1.072 65 M CA 2.217 57.505 55.300 -0.019 0.000 1.117 65 M CB -0.498 32.092 32.600 -0.017 0.000 1.320 65 M HN 0.248 nan 8.290 nan 0.000 0.408 66 G N -1.034 107.709 108.800 -0.095 0.000 2.422 66 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.218 66 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.218 66 G C 1.448 176.230 174.900 -0.197 0.000 1.146 66 G CA 0.863 45.893 45.100 -0.117 0.000 0.769 66 G HN 0.642 nan 8.290 nan 0.000 0.547 67 A N 0.101 122.794 122.820 -0.212 0.000 2.119 67 A HA 0.280 4.599 4.320 -0.001 0.000 0.217 67 A C 2.304 179.823 177.584 -0.107 0.000 1.153 67 A CA 0.628 52.537 52.037 -0.214 0.000 0.692 67 A CB -0.196 18.705 19.000 -0.165 0.000 0.799 67 A HN 0.367 nan 8.150 nan 0.000 0.458 68 L N -0.908 120.268 121.223 -0.079 0.000 2.179 68 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 68 L C 2.384 179.266 176.870 0.020 0.000 1.096 68 L CA 0.496 55.296 54.840 -0.066 0.000 0.779 68 L CB -0.352 41.646 42.059 -0.102 0.000 0.922 68 L HN 0.229 nan 8.230 nan 0.000 0.443 69 V N -0.398 119.557 119.914 0.068 0.000 2.295 69 V HA -0.326 3.793 4.120 -0.001 0.000 0.246 69 V C 2.269 178.477 176.094 0.190 0.000 1.049 69 V CA 1.844 64.230 62.300 0.143 0.000 1.024 69 V CB -0.726 31.209 31.823 0.187 0.000 0.648 69 V HN 0.521 nan 8.190 nan 0.000 0.447 70 H N -0.303 118.758 119.070 -0.014 0.000 2.502 70 H HA -0.030 4.525 4.556 -0.002 0.000 0.283 70 H C 1.837 177.158 175.328 -0.012 0.000 1.015 70 H CA 1.382 57.423 56.048 -0.012 0.000 1.298 70 H CB 0.192 29.945 29.762 -0.015 0.000 1.411 70 H HN 0.581 nan 8.280 nan 0.000 0.556 71 T N -2.114 112.503 114.554 0.104 0.000 3.269 71 T HA 0.463 4.812 4.350 -0.001 0.000 0.269 71 T C 1.657 176.368 174.700 0.018 0.000 0.993 71 T CA 0.137 62.262 62.100 0.041 0.000 0.909 71 T CB 0.248 69.123 68.868 0.012 0.000 1.115 71 T HN 0.269 nan 8.240 nan 0.000 0.543 72 A N 1.728 124.571 122.820 0.037 0.000 2.104 72 A HA -0.036 4.283 4.320 -0.001 0.000 0.223 72 A C 0.579 178.178 177.584 0.025 0.000 1.164 72 A CA 1.524 53.586 52.037 0.041 0.000 0.659 72 A CB -0.631 18.396 19.000 0.046 0.000 0.808 72 A HN 0.822 nan 8.150 nan 0.000 0.465 73 D N -2.891 117.519 120.400 0.016 0.000 2.450 73 D HA 0.517 5.156 4.640 -0.001 0.000 0.238 73 D C -0.630 175.689 176.300 0.031 0.000 1.020 73 D CA -0.841 53.169 54.000 0.017 0.000 1.010 73 D CB 0.449 41.259 40.800 0.017 0.000 1.342 73 D HN 0.039 nan 8.370 nan 0.000 0.530 74 N N 0.080 118.817 118.700 0.061 0.000 2.617 74 N HA 0.275 5.014 4.740 -0.001 0.000 0.263 74 N C -1.154 174.460 175.510 0.173 0.000 1.074 74 N CA -0.329 52.760 53.050 0.065 0.000 0.841 74 N CB -0.033 38.502 38.487 0.081 0.000 1.221 74 N HN 0.546 nan 8.380 nan 0.000 0.529 75 Y N 1.217 121.570 120.300 0.089 0.000 2.887 75 Y HA -0.433 4.117 4.550 -0.001 0.000 0.467 75 Y C -1.055 174.878 175.900 0.055 0.000 1.191 75 Y CA 1.491 59.653 58.100 0.103 0.000 2.539 75 Y CB -1.968 36.541 38.460 0.082 0.000 1.225 75 Y HN 0.411 nan 8.280 nan 0.000 0.630 76 P HA -0.285 nan 4.420 nan 0.000 0.225 76 P C 1.680 179.016 177.300 0.059 0.000 1.154 76 P CA 2.599 65.772 63.100 0.121 0.000 0.885 76 P CB -0.255 31.498 31.700 0.088 0.000 0.785 77 L N -0.785 120.470 121.223 0.052 0.000 2.089 77 L HA -0.179 4.160 4.340 -0.001 0.000 0.213 77 L C 1.673 178.539 176.870 -0.006 0.000 1.079 77 L CA 2.194 57.046 54.840 0.020 0.000 0.758 77 L CB -1.443 40.627 42.059 0.018 0.000 0.891 77 L HN 0.032 nan 8.230 nan 0.000 0.433 78 L N -4.095 117.111 121.223 -0.029 0.000 2.537 78 L HA 0.214 4.553 4.340 -0.001 0.000 0.224 78 L C 2.027 178.784 176.870 -0.188 0.000 1.065 78 L CA 0.842 55.608 54.840 -0.124 0.000 0.860 78 L CB -1.381 40.564 42.059 -0.190 0.000 1.086 78 L HN 0.089 nan 8.230 nan 0.000 0.482 79 L N 0.285 121.456 121.223 -0.087 0.000 2.187 79 L HA -0.163 4.176 4.340 -0.001 0.000 0.213 79 L C 2.226 179.123 176.870 0.044 0.000 1.100 79 L CA 1.804 56.639 54.840 -0.008 0.000 0.765 79 L CB -0.960 41.173 42.059 0.124 0.000 0.904 79 L HN 0.404 nan 8.230 nan 0.000 0.437 80 T N -0.623 113.946 114.554 0.024 0.000 2.814 80 T HA -0.088 4.261 4.350 -0.001 0.000 0.254 80 T C 1.951 176.695 174.700 0.074 0.000 1.037 80 T CA 1.282 63.407 62.100 0.042 0.000 1.143 80 T CB -0.172 68.691 68.868 -0.007 0.000 0.866 80 T HN 0.297 nan 8.240 nan 0.000 0.431 81 V N 1.381 121.305 119.914 0.016 0.000 2.469 81 V HA -0.107 4.012 4.120 -0.001 0.000 0.251 81 V C 2.618 178.723 176.094 0.018 0.000 1.064 81 V CA 1.588 63.895 62.300 0.012 0.000 1.066 81 V CB -1.675 30.131 31.823 -0.029 0.000 0.667 81 V HN 0.429 nan 8.190 nan 0.000 0.461 82 A N 0.342 123.154 122.820 -0.013 0.000 1.845 82 A HA -0.107 4.212 4.320 -0.001 0.000 0.215 82 A C 2.086 179.719 177.584 0.081 0.000 1.195 82 A CA 1.894 53.925 52.037 -0.010 0.000 0.616 82 A CB -0.946 18.005 19.000 -0.083 0.000 0.832 82 A HN 0.615 nan 8.150 nan 0.000 0.443 83 F N 0.907 120.854 119.950 -0.005 0.000 2.043 83 F HA -0.229 4.298 4.527 -0.001 0.000 0.297 83 F C 2.014 177.833 175.800 0.033 0.000 1.121 83 F CA 1.997 60.013 58.000 0.026 0.000 1.199 83 F CB -0.643 38.374 39.000 0.027 0.000 0.968 83 F HN 0.170 nan 8.300 nan 0.000 0.478 84 L N -0.493 120.996 121.223 0.443 0.000 1.963 84 L HA -0.391 3.948 4.340 -0.001 0.000 0.220 84 L C 2.739 179.690 176.870 0.136 0.000 1.076 84 L CA 1.934 56.939 54.840 0.276 0.000 0.772 84 L CB -1.565 40.596 42.059 0.170 0.000 0.892 84 L HN 0.290 nan 8.230 nan 0.000 0.435 85 C N -0.771 118.581 119.300 0.087 0.000 2.396 85 C HA -0.200 4.259 4.460 -0.001 0.000 0.277 85 C C 3.160 178.179 174.990 0.049 0.000 1.231 85 C CA 1.505 60.555 59.018 0.054 0.000 1.775 85 C CB -0.852 26.904 27.740 0.026 0.000 2.036 85 C HN 0.536 nan 8.230 nan 0.000 0.484 86 S N -0.095 115.614 115.700 0.016 0.000 2.425 86 S HA 0.074 4.543 4.470 -0.001 0.000 0.225 86 S C 2.117 176.714 174.600 -0.005 0.000 1.024 86 S CA 0.900 59.099 58.200 -0.002 0.000 0.951 86 S CB -0.279 62.889 63.200 -0.053 0.000 0.796 86 S HN 0.697 nan 8.310 nan 0.000 0.498 87 A N 1.427 124.214 122.820 -0.056 0.000 1.855 87 A HA -0.040 4.279 4.320 -0.001 0.000 0.215 87 A C 2.250 179.892 177.584 0.097 0.000 1.191 87 A CA 1.535 53.564 52.037 -0.014 0.000 0.613 87 A CB -1.003 18.024 19.000 0.044 0.000 0.829 87 A HN 0.326 nan 8.150 nan 0.000 0.442 88 V N -0.056 119.928 119.914 0.116 0.000 2.469 88 V HA -0.238 3.881 4.120 -0.001 0.000 0.251 88 V C 2.469 178.673 176.094 0.184 0.000 1.064 88 V CA 1.848 64.234 62.300 0.143 0.000 1.066 88 V CB -0.744 31.151 31.823 0.119 0.000 0.667 88 V HN 0.522 nan 8.190 nan 0.000 0.461 89 L N -0.393 120.926 121.223 0.161 0.000 2.162 89 L HA 0.014 4.354 4.340 -0.001 0.000 0.205 89 L C 2.727 179.765 176.870 0.280 0.000 1.086 89 L CA 1.077 56.035 54.840 0.196 0.000 0.778 89 L CB -0.688 41.449 42.059 0.130 0.000 0.928 89 L HN 0.320 nan 8.230 nan 0.000 0.446 90 A N 0.352 123.319 122.820 0.246 0.000 1.869 90 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 90 A C 2.277 180.144 177.584 0.471 0.000 1.203 90 A CA 2.306 54.554 52.037 0.351 0.000 0.638 90 A CB -0.598 18.567 19.000 0.275 0.000 0.831 90 A HN 0.344 nan 8.150 nan 0.000 0.450 91 M N -2.312 117.485 119.600 0.329 0.000 2.086 91 M HA -0.071 4.408 4.480 -0.001 0.000 0.261 91 M C 2.160 178.685 176.300 0.375 0.000 1.067 91 M CA 1.926 57.407 55.300 0.301 0.000 1.116 91 M CB -0.545 32.167 32.600 0.186 0.000 1.348 91 M HN 0.510 nan 8.290 nan 0.000 0.407 92 F N 1.127 121.225 119.950 0.247 0.000 2.176 92 F HA -0.231 4.295 4.527 -0.002 0.000 0.301 92 F C 1.958 177.889 175.800 0.219 0.000 1.071 92 F CA 1.859 60.010 58.000 0.251 0.000 1.289 92 F CB -0.494 38.617 39.000 0.184 0.000 1.028 92 F HN 0.078 nan 8.300 nan 0.000 0.494 93 G N -1.582 107.391 108.800 0.290 0.000 2.417 93 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.212 93 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.212 93 G C 1.299 176.190 174.900 -0.016 0.000 1.187 93 G CA 0.591 45.760 45.100 0.115 0.000 0.804 93 G HN 0.424 nan 8.290 nan 0.000 0.534 94 Y N 0.105 120.410 120.300 0.010 0.000 2.151 94 Y HA -0.122 4.427 4.550 -0.001 0.000 0.284 94 Y C 2.362 178.204 175.900 -0.097 0.000 1.166 94 Y CA 1.592 59.637 58.100 -0.092 0.000 1.163 94 Y CB -0.531 37.902 38.460 -0.045 0.000 0.974 94 Y HN 0.258 nan 8.280 nan 0.000 0.511 95 F N -0.202 119.750 119.950 0.003 0.000 2.010 95 F HA -0.290 4.237 4.527 -0.001 0.000 0.296 95 F C 2.130 177.859 175.800 -0.119 0.000 1.146 95 F CA 0.922 58.876 58.000 -0.075 0.000 1.181 95 F CB -0.436 38.532 39.000 -0.053 0.000 0.965 95 F HN -0.111 nan 8.300 nan 0.000 0.480 96 L N 0.642 121.579 121.223 -0.476 0.000 2.230 96 L HA -0.269 4.070 4.340 -0.001 0.000 0.217 96 L C 2.176 178.908 176.870 -0.230 0.000 1.090 96 L CA 1.355 55.897 54.840 -0.498 0.000 0.771 96 L CB -1.352 40.385 42.059 -0.537 0.000 0.892 96 L HN 0.239 nan 8.230 nan 0.000 0.438 97 V N -1.085 118.705 119.914 -0.206 0.000 2.300 97 V HA -0.130 3.990 4.120 -0.001 0.000 0.241 97 V C 2.591 178.564 176.094 -0.202 0.000 1.034 97 V CA 0.889 63.072 62.300 -0.195 0.000 1.021 97 V CB -0.465 31.202 31.823 -0.260 0.000 0.662 97 V HN 0.309 nan 8.190 nan 0.000 0.458 98 R N 0.724 121.076 120.500 -0.246 0.000 2.096 98 R HA -0.215 4.124 4.340 -0.001 0.000 0.240 98 R C 2.239 178.445 176.300 -0.158 0.000 1.139 98 R CA 1.857 57.816 56.100 -0.234 0.000 0.952 98 R CB -0.687 29.474 30.300 -0.232 0.000 0.854 98 R HN 0.385 nan 8.270 nan 0.000 0.436 99 K N -0.155 120.144 120.400 -0.169 0.000 2.025 99 K HA -0.106 4.214 4.320 -0.001 0.000 0.207 99 K C 1.548 177.819 176.600 -0.549 0.000 1.049 99 K CA 1.537 57.606 56.287 -0.364 0.000 0.933 99 K CB -0.094 32.063 32.500 -0.571 0.000 0.714 99 K HN 0.203 nan 8.250 nan 0.000 0.438 100 Y N -1.963 118.214 120.300 -0.206 0.000 2.444 100 Y HA 0.504 5.053 4.550 -0.001 0.000 0.252 100 Y C -0.224 175.589 175.900 -0.146 0.000 1.091 100 Y CA -0.080 57.922 58.100 -0.164 0.000 1.276 100 Y CB 1.140 39.485 38.460 -0.192 0.000 1.170 100 Y HN 0.043 nan 8.280 nan 0.000 0.517 101 A N -0.116 122.688 122.820 -0.026 0.000 2.770 101 A HA 0.426 4.745 4.320 -0.001 0.000 0.295 101 A C -2.542 174.982 177.584 -0.100 0.000 1.256 101 A CA -0.784 51.211 52.037 -0.070 0.000 0.870 101 A CB 0.284 19.237 19.000 -0.078 0.000 1.451 101 A HN -0.060 nan 8.150 nan 0.000 0.505 102 P HA -0.153 nan 4.420 nan 0.000 0.220 102 P C 1.097 178.338 177.300 -0.097 0.000 1.148 102 P CA 1.584 64.611 63.100 -0.122 0.000 0.803 102 P CB 0.197 31.846 31.700 -0.085 0.000 0.782 103 E N -0.453 119.701 120.200 -0.076 0.000 2.516 103 E HA 0.059 4.408 4.350 -0.001 0.000 0.199 103 E C 1.315 177.876 176.600 -0.065 0.000 1.069 103 E CA 0.551 56.916 56.400 -0.060 0.000 0.876 103 E CB -0.554 29.111 29.700 -0.058 0.000 0.843 103 E HN 0.106 nan 8.360 nan 0.000 0.530 104 A N 1.378 124.148 122.820 -0.084 0.000 2.415 104 A HA 0.392 4.711 4.320 -0.001 0.000 0.248 104 A C 0.956 178.482 177.584 -0.097 0.000 1.299 104 A CA 0.015 52.004 52.037 -0.080 0.000 0.899 104 A CB -0.020 18.934 19.000 -0.077 0.000 0.997 104 A HN 0.264 nan 8.150 nan 0.000 0.506 105 G N -1.724 107.009 108.800 -0.112 0.000 2.528 105 G HA2 0.525 4.485 3.960 -0.001 0.000 0.289 105 G HA3 0.525 4.485 3.960 -0.001 0.000 0.289 105 G C 0.880 175.725 174.900 -0.093 0.000 1.192 105 G CA 0.105 45.121 45.100 -0.140 0.000 0.921 105 G HN 1.241 nan 8.290 nan 0.000 0.512 106 G N -0.108 108.620 108.800 -0.120 0.000 2.602 106 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.317 106 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.317 106 G C 1.724 176.708 174.900 0.140 0.000 1.327 106 G CA 1.614 46.657 45.100 -0.095 0.000 0.971 106 G HN 1.717 nan 8.290 nan 0.000 0.540 107 S N -0.449 115.458 115.700 0.344 0.000 2.380 107 S HA 0.182 4.651 4.470 -0.001 0.000 0.217 107 S C 2.344 177.014 174.600 0.116 0.000 1.036 107 S CA 3.575 61.968 58.200 0.322 0.000 1.050 107 S CB -0.727 62.707 63.200 0.391 0.000 1.016 107 S HN 2.813 nan 8.310 nan 0.000 0.419 108 G N -0.278 108.576 108.800 0.090 0.000 2.380 108 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.197 108 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.197 108 G C 0.927 175.849 174.900 0.036 0.000 1.001 108 G CA 0.259 45.373 45.100 0.024 0.000 0.668 108 G HN 0.507 nan 8.290 nan 0.000 0.483 109 I N 1.692 122.312 120.570 0.083 0.000 2.233 109 I HA -0.028 4.141 4.170 -0.001 0.000 0.243 109 I C 0.096 176.254 176.117 0.069 0.000 1.093 109 I CA 1.530 62.885 61.300 0.091 0.000 1.380 109 I CB -1.035 37.077 38.000 0.187 0.000 1.067 109 I HN 0.125 nan 8.210 nan 0.000 0.413 110 P HA -0.204 nan 4.420 nan 0.000 0.214 110 P C 1.402 178.729 177.300 0.045 0.000 1.163 110 P CA 1.464 64.611 63.100 0.078 0.000 0.889 110 P CB 0.048 31.806 31.700 0.098 0.000 0.790 111 E N -0.332 119.890 120.200 0.038 0.000 2.035 111 E HA -0.195 4.154 4.350 -0.001 0.000 0.204 111 E C 1.994 178.601 176.600 0.012 0.000 1.025 111 E CA 1.383 57.794 56.400 0.018 0.000 0.835 111 E CB -1.121 28.582 29.700 0.005 0.000 0.764 111 E HN 0.064 nan 8.360 nan 0.000 0.457 112 I N 0.984 121.557 120.570 0.005 0.000 2.361 112 I HA -0.200 3.970 4.170 -0.001 0.000 0.251 112 I C 2.058 178.169 176.117 -0.010 0.000 1.133 112 I CA 1.268 62.566 61.300 -0.004 0.000 1.413 112 I CB -0.992 36.998 38.000 -0.017 0.000 1.073 112 I HN 0.281 nan 8.210 nan 0.000 0.424 113 E N 0.905 121.094 120.200 -0.018 0.000 2.077 113 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 113 E C 2.280 178.881 176.600 0.002 0.000 0.989 113 E CA 1.235 57.616 56.400 -0.032 0.000 0.800 113 E CB -0.348 29.333 29.700 -0.032 0.000 0.746 113 E HN 0.559 nan 8.360 nan 0.000 0.452 114 G N 1.791 110.602 108.800 0.019 0.000 2.586 114 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.218 114 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.218 114 G C 1.756 176.681 174.900 0.042 0.000 1.216 114 G CA 1.466 46.586 45.100 0.033 0.000 0.786 114 G HN 0.381 nan 8.290 nan 0.000 0.583 115 A N 0.192 123.035 122.820 0.039 0.000 2.042 115 A HA -0.031 4.288 4.320 -0.001 0.000 0.222 115 A C 2.454 180.098 177.584 0.101 0.000 1.167 115 A CA 1.688 53.761 52.037 0.060 0.000 0.649 115 A CB -0.382 18.647 19.000 0.048 0.000 0.809 115 A HN 0.410 nan 8.150 nan 0.000 0.457 116 L N -1.121 120.144 121.223 0.070 0.000 2.179 116 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 116 L C 2.265 179.179 176.870 0.074 0.000 1.096 116 L CA 0.749 55.629 54.840 0.067 0.000 0.779 116 L CB -0.326 41.702 42.059 -0.051 0.000 0.922 116 L HN 0.227 nan 8.230 nan 0.000 0.443 117 E N -0.272 119.971 120.200 0.071 0.000 2.347 117 E HA -0.151 4.198 4.350 -0.001 0.000 0.196 117 E C 0.031 176.716 176.600 0.141 0.000 1.008 117 E CA 0.409 56.862 56.400 0.090 0.000 0.852 117 E CB -0.119 29.622 29.700 0.069 0.000 0.783 117 E HN 0.323 nan 8.360 nan 0.000 0.505 118 D N 0.312 120.804 120.400 0.153 0.000 2.835 118 D HA -0.160 4.479 4.640 -0.001 0.000 0.230 118 D C 0.044 176.389 176.300 0.074 0.000 1.130 118 D CA 0.440 54.507 54.000 0.111 0.000 0.738 118 D CB -0.733 40.133 40.800 0.111 0.000 1.090 118 D HN 0.239 nan 8.370 nan 0.000 0.433 119 Q N -0.525 119.314 119.800 0.065 0.000 2.135 119 Q HA 0.189 4.528 4.340 -0.001 0.000 0.222 119 Q C 0.383 176.406 176.000 0.039 0.000 0.808 119 Q CA 0.152 55.984 55.803 0.047 0.000 1.049 119 Q CB 1.234 29.998 28.738 0.044 0.000 1.168 119 Q HN 0.267 nan 8.270 nan 0.000 0.483 120 R N 0.456 120.981 120.500 0.041 0.000 2.692 120 R HA 0.565 4.904 4.340 -0.001 0.000 0.269 120 R C -2.780 173.540 176.300 0.033 0.000 1.030 120 R CA -1.405 54.713 56.100 0.030 0.000 0.882 120 R CB 1.100 31.414 30.300 0.023 0.000 1.250 120 R HN -0.067 nan 8.270 nan 0.000 0.465 121 P HA 0.445 nan 4.420 nan 0.000 0.287 121 P C -0.663 176.632 177.300 -0.008 0.000 1.290 121 P CA -0.751 62.366 63.100 0.029 0.000 0.889 121 P CB 1.288 33.014 31.700 0.043 0.000 1.190 122 V N 2.354 122.273 119.914 0.007 0.000 2.218 122 V HA 0.248 4.367 4.120 -0.001 0.000 0.261 122 V C 1.006 176.964 176.094 -0.226 0.000 1.142 122 V CA -0.462 61.823 62.300 -0.025 0.000 0.965 122 V CB -0.661 31.217 31.823 0.092 0.000 1.190 122 V HN 0.394 nan 8.190 nan 0.000 0.478 123 R N 4.157 124.370 120.500 -0.478 0.000 4.576 123 R HA 0.027 4.366 4.340 -0.001 0.000 0.185 123 R C 1.481 176.936 176.300 -1.407 0.000 1.837 123 R CA -0.162 55.167 56.100 -1.285 0.000 1.520 123 R CB -0.046 29.771 30.300 -0.805 0.000 1.403 123 R HN 0.944 nan 8.270 nan 0.000 0.831 124 W N 1.056 121.735 121.300 -1.035 0.000 2.338 124 W HA -0.236 4.423 4.660 -0.001 0.000 0.304 124 W C 0.833 177.151 176.519 -0.336 0.000 1.212 124 W CA 0.641 57.728 57.345 -0.431 0.000 1.264 124 W CB -1.074 28.331 29.460 -0.092 0.000 1.142 124 W HN 0.454 nan 8.180 nan 0.000 0.512 125 W N 1.752 122.778 121.300 -0.457 0.000 2.480 125 W HA 0.035 4.694 4.660 -0.002 0.000 0.257 125 W C 1.949 178.390 176.519 -0.129 0.000 1.235 125 W CA 1.354 58.442 57.345 -0.427 0.000 1.218 125 W CB -1.142 27.768 29.460 -0.916 0.000 1.131 125 W HN -0.158 nan 8.180 nan 0.000 0.606 126 R N 0.082 120.232 120.500 -0.583 0.000 2.140 126 R HA 0.074 4.413 4.340 -0.001 0.000 0.200 126 R C 2.201 178.403 176.300 -0.163 0.000 1.069 126 R CA 0.781 56.715 56.100 -0.278 0.000 1.088 126 R CB -0.560 29.550 30.300 -0.317 0.000 1.012 126 R HN 0.112 nan 8.270 nan 0.000 0.500 127 V N 2.437 122.225 119.914 -0.209 0.000 2.261 127 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 127 V C 2.373 178.467 176.094 0.001 0.000 1.047 127 V CA 1.743 63.983 62.300 -0.100 0.000 1.015 127 V CB -0.639 31.115 31.823 -0.114 0.000 0.642 127 V HN 0.227 nan 8.190 nan 0.000 0.446 128 L N 0.549 121.805 121.223 0.055 0.000 1.978 128 L HA -0.224 4.115 4.340 -0.001 0.000 0.235 128 L C 0.456 177.426 176.870 0.168 0.000 1.094 128 L CA 2.642 57.557 54.840 0.126 0.000 0.814 128 L CB -2.495 39.670 42.059 0.176 0.000 0.911 128 L HN 0.327 nan 8.230 nan 0.000 0.442 129 P HA -0.158 nan 4.420 nan 0.000 0.216 129 P C 1.791 179.269 177.300 0.295 0.000 1.157 129 P CA 2.001 65.268 63.100 0.278 0.000 0.880 129 P CB -0.246 31.497 31.700 0.072 0.000 0.791 130 V N 0.570 120.540 119.914 0.094 0.000 2.233 130 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 130 V C 2.739 178.902 176.094 0.115 0.000 1.050 130 V CA 2.410 64.735 62.300 0.041 0.000 1.010 130 V CB -1.638 30.164 31.823 -0.036 0.000 0.637 130 V HN 0.047 nan 8.190 nan 0.000 0.444 131 K N 0.215 120.668 120.400 0.089 0.000 1.991 131 K HA -0.191 4.128 4.320 -0.001 0.000 0.212 131 K C 1.950 178.652 176.600 0.171 0.000 1.049 131 K CA 1.866 58.191 56.287 0.062 0.000 0.932 131 K CB -0.911 31.579 32.500 -0.017 0.000 0.717 131 K HN 0.324 nan 8.250 nan 0.000 0.441 132 F N 0.449 120.407 119.950 0.012 0.000 2.027 132 F HA -0.215 4.311 4.527 -0.002 0.000 0.297 132 F C 1.815 177.632 175.800 0.028 0.000 1.129 132 F CA 1.828 59.843 58.000 0.024 0.000 1.195 132 F CB -0.952 37.949 39.000 -0.164 0.000 0.960 132 F HN 0.074 nan 8.300 nan 0.000 0.485 133 F N 0.466 120.894 119.950 0.797 0.000 2.333 133 F HA 0.022 4.548 4.527 -0.001 0.000 0.300 133 F C 2.558 178.646 175.800 0.479 0.000 1.083 133 F CA 0.939 59.270 58.000 0.552 0.000 1.395 133 F CB -1.385 37.816 39.000 0.336 0.000 1.056 133 F HN 0.107 nan 8.300 nan 0.000 0.529 134 G N 0.107 109.175 108.800 0.447 0.000 2.464 134 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.214 134 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.214 134 G C 2.069 177.129 174.900 0.267 0.000 1.218 134 G CA 0.706 45.960 45.100 0.257 0.000 0.794 134 G HN 0.436 nan 8.290 nan 0.000 0.542 135 G N 0.671 109.637 108.800 0.277 0.000 2.422 135 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.218 135 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.218 135 G C 1.764 176.811 174.900 0.246 0.000 1.146 135 G CA 0.865 46.159 45.100 0.322 0.000 0.769 135 G HN 0.306 nan 8.290 nan 0.000 0.547 136 L N 1.297 122.631 121.223 0.186 0.000 2.151 136 L HA -0.103 4.236 4.340 -0.001 0.000 0.215 136 L C 2.850 179.757 176.870 0.062 0.000 1.084 136 L CA 2.031 56.844 54.840 -0.046 0.000 0.764 136 L CB -0.624 41.487 42.059 0.086 0.000 0.891 136 L HN 0.278 nan 8.230 nan 0.000 0.435 137 G N -2.475 106.445 108.800 0.200 0.000 2.447 137 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.211 137 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.211 137 G C 1.536 176.536 174.900 0.168 0.000 1.184 137 G CA 0.808 46.039 45.100 0.219 0.000 0.813 137 G HN 0.427 nan 8.290 nan 0.000 0.540 138 T N 0.583 115.232 114.554 0.158 0.000 2.708 138 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 138 T C 2.290 177.054 174.700 0.106 0.000 1.037 138 T CA 0.867 63.042 62.100 0.125 0.000 1.146 138 T CB -0.276 68.633 68.868 0.069 0.000 0.865 138 T HN -0.034 nan 8.240 nan 0.000 0.435 139 L N 1.844 123.126 121.223 0.097 0.000 2.005 139 L HA 0.148 4.487 4.340 -0.001 0.000 0.207 139 L C 3.097 179.986 176.870 0.031 0.000 1.072 139 L CA 2.231 57.110 54.840 0.065 0.000 0.744 139 L CB -1.918 40.171 42.059 0.050 0.000 0.895 139 L HN 0.516 nan 8.230 nan 0.000 0.433 140 G N -1.087 107.719 108.800 0.010 0.000 2.470 140 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.220 140 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.220 140 G C 1.407 176.336 174.900 0.049 0.000 1.121 140 G CA 0.730 45.841 45.100 0.019 0.000 0.766 140 G HN 0.526 nan 8.290 nan 0.000 0.553 141 G N -0.883 107.955 108.800 0.064 0.000 3.088 141 G HA2 0.399 4.359 3.960 -0.001 0.000 0.217 141 G HA3 0.399 4.359 3.960 -0.001 0.000 0.217 141 G C 1.059 175.993 174.900 0.056 0.000 1.159 141 G CA 0.387 45.525 45.100 0.063 0.000 0.760 141 G HN 1.320 nan 8.290 nan 0.000 0.550 142 G N 0.162 108.998 108.800 0.060 0.000 2.142 142 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.225 142 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.225 142 G C 0.322 175.263 174.900 0.069 0.000 1.015 142 G CA 0.004 45.141 45.100 0.062 0.000 0.716 142 G HN 0.372 nan 8.290 nan 0.000 0.508 143 M N 0.498 120.146 119.600 0.080 0.000 2.233 143 M HA 0.283 4.762 4.480 -0.001 0.000 0.350 143 M C 1.250 177.604 176.300 0.091 0.000 1.176 143 M CA -0.401 54.956 55.300 0.095 0.000 1.150 143 M CB 1.260 33.933 32.600 0.122 0.000 1.530 143 M HN -0.040 nan 8.290 nan 0.000 0.459 144 V N 5.840 125.810 119.914 0.094 0.000 2.624 144 V HA -0.074 4.045 4.120 -0.001 0.000 0.240 144 V C 0.025 176.185 176.094 0.109 0.000 1.041 144 V CA 0.856 63.210 62.300 0.091 0.000 1.237 144 V CB -2.006 29.878 31.823 0.102 0.000 1.155 144 V HN 0.597 nan 8.190 nan 0.000 0.479 145 L N 2.583 123.855 121.223 0.082 0.000 2.672 145 L HA 0.641 4.980 4.340 -0.001 0.000 0.256 145 L C 0.390 177.290 176.870 0.050 0.000 0.946 145 L CA -0.497 54.398 54.840 0.091 0.000 0.889 145 L CB 1.882 44.026 42.059 0.141 0.000 1.441 145 L HN 0.476 nan 8.230 nan 0.000 0.418 146 G N 0.246 109.067 108.800 0.035 0.000 2.537 146 G HA2 0.520 4.479 3.960 -0.001 0.000 0.297 146 G HA3 0.520 4.479 3.960 -0.001 0.000 0.297 146 G C 0.286 175.180 174.900 -0.011 0.000 1.310 146 G CA -0.467 44.633 45.100 -0.001 0.000 1.027 146 G HN 0.720 nan 8.290 nan 0.000 0.505 147 R N -0.337 120.111 120.500 -0.086 0.000 2.280 147 R HA 0.219 4.558 4.340 -0.001 0.000 0.195 147 R C 2.402 178.486 176.300 -0.359 0.000 0.935 147 R CA 0.609 56.631 56.100 -0.130 0.000 1.033 147 R CB 0.153 30.400 30.300 -0.089 0.000 0.964 147 R HN 0.445 nan 8.270 nan 0.000 0.489 148 A N 1.379 123.961 122.820 -0.396 0.000 1.825 148 A HA -0.003 4.316 4.320 -0.001 0.000 0.214 148 A C 2.287 179.646 177.584 -0.376 0.000 1.206 148 A CA 1.567 53.279 52.037 -0.542 0.000 0.609 148 A CB -1.444 17.203 19.000 -0.588 0.000 0.851 148 A HN 0.353 nan 8.150 nan 0.000 0.445 149 G N 0.318 108.982 108.800 -0.225 0.000 2.812 149 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.218 149 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.218 149 G C -0.204 174.582 174.900 -0.191 0.000 1.287 149 G CA 1.655 46.685 45.100 -0.117 0.000 0.796 149 G HN 0.429 nan 8.290 nan 0.000 0.649 150 P HA -0.220 nan 4.420 nan 0.000 0.218 150 P C 2.373 179.417 177.300 -0.428 0.000 1.165 150 P CA 3.133 66.007 63.100 -0.376 0.000 0.922 150 P CB -0.611 30.715 31.700 -0.622 0.000 0.794 151 T N -3.864 110.394 114.554 -0.492 0.000 2.904 151 T HA -0.041 4.308 4.350 -0.001 0.000 0.267 151 T C 1.810 176.344 174.700 -0.276 0.000 1.059 151 T CA 0.935 62.782 62.100 -0.422 0.000 1.137 151 T CB -1.365 67.245 68.868 -0.430 0.000 0.879 151 T HN -0.115 nan 8.240 nan 0.000 0.467 152 V N 1.578 121.342 119.914 -0.250 0.000 2.358 152 V HA -0.183 3.937 4.120 -0.001 0.000 0.246 152 V C 2.897 178.923 176.094 -0.114 0.000 1.047 152 V CA 1.915 64.120 62.300 -0.157 0.000 1.035 152 V CB -0.835 30.921 31.823 -0.112 0.000 0.658 152 V HN 0.514 nan 8.190 nan 0.000 0.452 153 Q N -0.016 119.711 119.800 -0.122 0.000 1.941 153 Q HA -0.171 4.168 4.340 -0.001 0.000 0.201 153 Q C 2.314 178.257 176.000 -0.095 0.000 0.982 153 Q CA 2.168 57.918 55.803 -0.090 0.000 0.839 153 Q CB -0.224 28.464 28.738 -0.084 0.000 0.904 153 Q HN 0.579 nan 8.270 nan 0.000 0.427 154 I N 0.679 121.170 120.570 -0.132 0.000 2.285 154 I HA -0.338 3.832 4.170 -0.001 0.000 0.253 154 I C 2.194 178.261 176.117 -0.084 0.000 1.104 154 I CA 1.289 62.527 61.300 -0.103 0.000 1.372 154 I CB -0.830 37.078 38.000 -0.155 0.000 1.057 154 I HN 0.452 nan 8.210 nan 0.000 0.431 155 G N 0.641 109.378 108.800 -0.106 0.000 2.434 155 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.214 155 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.214 155 G C 1.717 176.577 174.900 -0.067 0.000 1.202 155 G CA 0.788 45.833 45.100 -0.092 0.000 0.788 155 G HN 0.479 nan 8.290 nan 0.000 0.539 156 G N 0.976 109.744 108.800 -0.053 0.000 2.469 156 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.220 156 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.220 156 G C 1.733 176.622 174.900 -0.019 0.000 1.136 156 G CA 1.359 46.441 45.100 -0.030 0.000 0.759 156 G HN 0.481 nan 8.290 nan 0.000 0.562 157 N N 0.525 119.217 118.700 -0.013 0.000 2.120 157 N HA -0.064 4.676 4.740 -0.001 0.000 0.188 157 N C 2.122 177.594 175.510 -0.064 0.000 1.024 157 N CA 0.961 54.026 53.050 0.025 0.000 0.852 157 N CB -0.153 38.367 38.487 0.056 0.000 1.003 157 N HN 0.195 nan 8.380 nan 0.000 0.424 158 I N 0.414 120.934 120.570 -0.084 0.000 2.194 158 I HA -0.167 4.002 4.170 -0.001 0.000 0.246 158 I C 2.260 178.279 176.117 -0.163 0.000 1.093 158 I CA 1.462 62.678 61.300 -0.142 0.000 1.355 158 I CB -1.632 36.311 38.000 -0.095 0.000 1.046 158 I HN 0.211 nan 8.210 nan 0.000 0.413 159 G N 0.279 109.017 108.800 -0.103 0.000 2.448 159 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.218 159 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.218 159 G C 1.879 176.737 174.900 -0.069 0.000 1.135 159 G CA 0.505 45.558 45.100 -0.078 0.000 0.784 159 G HN 0.242 nan 8.290 nan 0.000 0.543 160 R N 0.183 120.640 120.500 -0.071 0.000 2.055 160 R HA 0.185 4.524 4.340 -0.001 0.000 0.226 160 R C 2.448 178.643 176.300 -0.176 0.000 1.135 160 R CA 1.466 57.561 56.100 -0.008 0.000 0.959 160 R CB -0.724 29.663 30.300 0.146 0.000 0.854 160 R HN 0.297 nan 8.270 nan 0.000 0.431 161 M N 0.421 119.612 119.600 -0.681 0.000 2.143 161 M HA -0.193 4.286 4.480 -0.001 0.000 0.258 161 M C 1.759 177.776 176.300 -0.472 0.000 1.071 161 M CA 2.300 56.821 55.300 -1.298 0.000 1.088 161 M CB -0.068 31.620 32.600 -1.519 0.000 1.360 161 M HN 0.196 nan 8.290 nan 0.000 0.404 162 V N -1.790 118.001 119.914 -0.204 0.000 2.488 162 V HA -0.162 3.958 4.120 -0.001 0.000 0.246 162 V C 2.137 178.336 176.094 0.175 0.000 1.046 162 V CA 1.299 63.635 62.300 0.060 0.000 1.053 162 V CB -1.179 30.652 31.823 0.014 0.000 0.679 162 V HN 0.529 nan 8.190 nan 0.000 0.458 163 L N 1.493 122.763 121.223 0.078 0.000 2.013 163 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 163 L C 2.224 179.197 176.870 0.171 0.000 1.073 163 L CA 2.684 57.595 54.840 0.119 0.000 0.753 163 L CB -0.924 41.192 42.059 0.094 0.000 0.890 163 L HN 0.351 nan 8.230 nan 0.000 0.432 164 D N -0.361 120.150 120.400 0.185 0.000 2.077 164 D HA -0.175 4.464 4.640 -0.001 0.000 0.193 164 D C 2.313 178.714 176.300 0.168 0.000 0.989 164 D CA 1.888 56.033 54.000 0.241 0.000 0.831 164 D CB -0.353 40.743 40.800 0.493 0.000 0.979 164 D HN 0.380 nan 8.370 nan 0.000 0.449 165 I N -0.324 120.318 120.570 0.119 0.000 2.381 165 I HA -0.267 3.903 4.170 -0.001 0.000 0.255 165 I C 1.109 177.097 176.117 -0.215 0.000 1.140 165 I CA 1.074 62.348 61.300 -0.044 0.000 1.404 165 I CB -0.158 37.762 38.000 -0.133 0.000 1.075 165 I HN -0.061 nan 8.210 nan 0.000 0.433 166 F N -0.006 119.965 119.950 0.035 0.000 2.654 166 F HA 0.288 4.814 4.527 -0.001 0.000 0.303 166 F C 0.935 176.756 175.800 0.035 0.000 1.099 166 F CA -0.391 57.630 58.000 0.034 0.000 1.270 166 F CB 0.137 39.160 39.000 0.039 0.000 1.024 166 F HN -0.152 nan 8.300 nan 0.000 0.548 167 R N 0.273 120.869 120.500 0.160 0.000 3.610 167 R HA -0.226 4.113 4.340 -0.001 0.000 0.274 167 R C -0.226 176.144 176.300 0.117 0.000 1.123 167 R CA 0.135 56.303 56.100 0.112 0.000 0.747 167 R CB -2.444 27.898 30.300 0.069 0.000 1.149 167 R HN 0.317 nan 8.270 nan 0.000 0.471 168 L N 1.189 122.498 121.223 0.144 0.000 2.490 168 L HA 0.050 4.389 4.340 -0.001 0.000 0.274 168 L C 0.851 177.765 176.870 0.074 0.000 1.201 168 L CA 1.014 55.915 54.840 0.101 0.000 0.869 168 L CB 0.390 42.504 42.059 0.092 0.000 1.123 168 L HN 0.176 nan 8.230 nan 0.000 0.484 169 K N 2.664 123.096 120.400 0.054 0.000 2.480 169 K HA 0.845 5.164 4.320 -0.001 0.000 0.258 169 K C -0.694 175.922 176.600 0.026 0.000 0.990 169 K CA -0.058 56.252 56.287 0.038 0.000 0.857 169 K CB 2.391 34.913 32.500 0.036 0.000 1.384 169 K HN 0.686 nan 8.250 nan 0.000 0.446 170 G N 1.579 110.386 108.800 0.013 0.000 2.406 170 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.680 170 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.680 170 G C -0.657 174.231 174.900 -0.021 0.000 1.338 170 G CA -0.281 44.824 45.100 0.008 0.000 0.941 170 G HN 0.601 nan 8.290 nan 0.000 0.633 171 D N -0.273 120.114 120.400 -0.021 0.000 2.146 171 D HA -0.011 4.628 4.640 -0.001 0.000 0.209 171 D C 2.055 178.333 176.300 -0.037 0.000 0.973 171 D CA 1.229 55.176 54.000 -0.089 0.000 0.860 171 D CB -0.226 40.566 40.800 -0.013 0.000 1.015 171 D HN 0.680 nan 8.370 nan 0.000 0.465 172 E N 0.971 121.217 120.200 0.076 0.000 2.095 172 E HA -0.293 4.056 4.350 -0.001 0.000 0.212 172 E C 1.913 178.559 176.600 0.077 0.000 1.044 172 E CA 1.915 58.380 56.400 0.109 0.000 0.857 172 E CB -0.101 29.651 29.700 0.086 0.000 0.764 172 E HN 0.168 nan 8.360 nan 0.000 0.462 173 A N 0.714 123.559 122.820 0.041 0.000 1.972 173 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 173 A C 2.201 179.801 177.584 0.027 0.000 1.169 173 A CA 1.632 53.689 52.037 0.034 0.000 0.635 173 A CB -0.546 18.472 19.000 0.030 0.000 0.810 173 A HN 0.311 nan 8.150 nan 0.000 0.446 174 R N -1.580 118.916 120.500 -0.007 0.000 2.093 174 R HA -0.071 4.268 4.340 -0.001 0.000 0.224 174 R C 1.938 178.246 176.300 0.014 0.000 1.101 174 R CA 1.408 57.493 56.100 -0.025 0.000 0.979 174 R CB -0.335 29.904 30.300 -0.101 0.000 0.877 174 R HN 0.759 nan 8.270 nan 0.000 0.441 175 H N -1.234 117.848 119.070 0.020 0.000 2.307 175 H HA -0.011 4.544 4.556 -0.002 0.000 0.303 175 H C 1.869 177.191 175.328 -0.009 0.000 1.073 175 H CA 1.690 57.741 56.048 0.004 0.000 1.338 175 H CB 0.231 29.992 29.762 -0.001 0.000 1.389 175 H HN 0.146 nan 8.280 nan 0.000 0.503 176 T N 1.103 115.734 114.554 0.128 0.000 2.708 176 T HA -0.119 4.230 4.350 -0.001 0.000 0.266 176 T C 2.066 176.784 174.700 0.030 0.000 1.037 176 T CA 0.927 63.061 62.100 0.056 0.000 1.146 176 T CB -0.203 68.691 68.868 0.044 0.000 0.865 176 T HN 0.191 nan 8.240 nan 0.000 0.435 177 L N 0.559 121.798 121.223 0.027 0.000 2.201 177 L HA -0.001 4.338 4.340 -0.001 0.000 0.212 177 L C 2.413 179.285 176.870 0.002 0.000 1.105 177 L CA 0.853 55.695 54.840 0.002 0.000 0.775 177 L CB -0.639 41.418 42.059 -0.003 0.000 0.913 177 L HN 0.287 nan 8.230 nan 0.000 0.440 178 L N 0.309 121.548 121.223 0.027 0.000 2.156 178 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 178 L C 2.554 179.427 176.870 0.004 0.000 1.095 178 L CA 1.743 56.598 54.840 0.025 0.000 0.770 178 L CB -0.618 41.478 42.059 0.062 0.000 0.914 178 L HN 0.071 nan 8.230 nan 0.000 0.439 179 A N -0.882 121.942 122.820 0.006 0.000 1.898 179 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 179 A C 2.387 179.954 177.584 -0.028 0.000 1.181 179 A CA 2.125 54.149 52.037 -0.021 0.000 0.620 179 A CB -1.255 17.731 19.000 -0.023 0.000 0.819 179 A HN 0.599 nan 8.150 nan 0.000 0.442 180 T N -2.780 111.760 114.554 -0.022 0.000 2.770 180 T HA 0.059 4.408 4.350 -0.001 0.000 0.263 180 T C 1.955 176.629 174.700 -0.043 0.000 1.039 180 T CA 1.623 63.706 62.100 -0.030 0.000 1.142 180 T CB -0.970 67.884 68.868 -0.023 0.000 0.868 180 T HN 0.410 nan 8.240 nan 0.000 0.435 181 G N 0.852 109.624 108.800 -0.046 0.000 2.479 181 G HA2 0.075 4.034 3.960 -0.001 0.000 0.220 181 G HA3 0.075 4.034 3.960 -0.001 0.000 0.220 181 G C 1.713 176.575 174.900 -0.062 0.000 1.115 181 G CA 0.817 45.881 45.100 -0.059 0.000 0.757 181 G HN 0.803 nan 8.290 nan 0.000 0.560 182 A N 0.335 123.125 122.820 -0.050 0.000 2.044 182 A HA 0.623 4.943 4.320 -0.001 0.000 0.213 182 A C 2.641 180.206 177.584 -0.032 0.000 1.169 182 A CA 1.436 53.444 52.037 -0.047 0.000 0.724 182 A CB -0.324 18.655 19.000 -0.036 0.000 0.840 182 A HN 0.531 nan 8.150 nan 0.000 0.463 183 A N 0.366 123.168 122.820 -0.031 0.000 1.841 183 A HA 0.220 4.539 4.320 -0.001 0.000 0.214 183 A C 2.441 179.984 177.584 -0.068 0.000 1.195 183 A CA 1.835 53.855 52.037 -0.028 0.000 0.611 183 A CB -1.155 17.821 19.000 -0.039 0.000 0.835 183 A HN 1.058 nan 8.150 nan 0.000 0.443 184 A N -0.646 122.129 122.820 -0.074 0.000 2.125 184 A HA 0.151 4.470 4.320 -0.001 0.000 0.219 184 A C 2.193 179.713 177.584 -0.107 0.000 1.156 184 A CA 1.753 53.739 52.037 -0.084 0.000 0.671 184 A CB -1.091 17.867 19.000 -0.071 0.000 0.794 184 A HN 0.726 nan 8.150 nan 0.000 0.459 185 G N -0.684 108.046 108.800 -0.117 0.000 2.430 185 G HA2 0.025 3.984 3.960 -0.001 0.000 0.216 185 G HA3 0.025 3.984 3.960 -0.001 0.000 0.216 185 G C 1.384 176.151 174.900 -0.222 0.000 1.146 185 G CA 1.027 46.030 45.100 -0.161 0.000 0.793 185 G HN 0.429 nan 8.290 nan 0.000 0.537 186 L N 1.123 122.226 121.223 -0.201 0.000 2.084 186 L HA 0.396 4.735 4.340 -0.001 0.000 0.202 186 L C 3.075 179.816 176.870 -0.216 0.000 1.074 186 L CA 1.752 56.433 54.840 -0.264 0.000 0.757 186 L CB -0.925 41.011 42.059 -0.204 0.000 0.918 186 L HN 0.215 nan 8.230 nan 0.000 0.444 187 A N 0.187 122.916 122.820 -0.151 0.000 1.882 187 A HA -0.341 3.979 4.320 -0.001 0.000 0.220 187 A C 2.280 179.732 177.584 -0.221 0.000 1.253 187 A CA 2.760 54.710 52.037 -0.145 0.000 0.664 187 A CB -1.549 17.381 19.000 -0.118 0.000 0.838 187 A HN 0.594 nan 8.150 nan 0.000 0.460 188 A N -1.568 121.123 122.820 -0.215 0.000 2.239 188 A HA 0.447 4.766 4.320 -0.001 0.000 0.209 188 A C 2.000 179.373 177.584 -0.352 0.000 1.171 188 A CA 1.520 53.413 52.037 -0.240 0.000 0.768 188 A CB -0.627 18.324 19.000 -0.081 0.000 0.790 188 A HN 1.115 nan 8.150 nan 0.000 0.478 189 A N -1.639 120.944 122.820 -0.394 0.000 1.993 189 A HA 0.443 4.762 4.320 -0.001 0.000 0.207 189 A C 1.368 178.672 177.584 -0.468 0.000 1.224 189 A CA 0.548 52.302 52.037 -0.471 0.000 0.749 189 A CB -0.037 18.549 19.000 -0.689 0.000 0.884 189 A HN 0.464 nan 8.150 nan 0.000 0.467 190 F N -1.026 118.780 119.950 -0.240 0.000 2.682 190 F HA 0.219 4.745 4.527 -0.002 0.000 0.308 190 F C 0.838 176.465 175.800 -0.288 0.000 1.093 190 F CA -0.057 57.841 58.000 -0.170 0.000 1.244 190 F CB 0.566 39.522 39.000 -0.075 0.000 1.052 190 F HN 0.226 nan 8.300 nan 0.000 0.573 191 N N 1.872 120.351 118.700 -0.368 0.000 2.740 191 N HA -0.227 4.512 4.740 -0.001 0.000 0.248 191 N C -0.579 174.862 175.510 -0.114 0.000 1.062 191 N CA 0.690 53.522 53.050 -0.364 0.000 0.704 191 N CB -0.942 37.390 38.487 -0.258 0.000 0.968 191 N HN 0.321 nan 8.380 nan 0.000 0.547 192 A N 0.359 123.134 122.820 -0.075 0.000 3.064 192 A HA 0.475 4.795 4.320 -0.001 0.000 0.339 192 A C -0.901 176.643 177.584 -0.066 0.000 1.078 192 A CA -0.735 51.278 52.037 -0.041 0.000 0.869 192 A CB 0.868 19.873 19.000 0.009 0.000 1.067 192 A HN 0.222 nan 8.150 nan 0.000 0.480 193 P HA -0.209 nan 4.420 nan 0.000 0.216 193 P C 1.531 178.739 177.300 -0.154 0.000 1.150 193 P CA 0.920 63.953 63.100 -0.113 0.000 0.837 193 P CB 0.183 31.827 31.700 -0.094 0.000 0.786 194 L N -0.552 120.597 121.223 -0.124 0.000 2.017 194 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 194 L C 2.778 179.592 176.870 -0.093 0.000 1.073 194 L CA 2.010 56.773 54.840 -0.130 0.000 0.745 194 L CB -1.374 40.636 42.059 -0.082 0.000 0.894 194 L HN -0.009 nan 8.230 nan 0.000 0.432 195 A N 0.211 122.997 122.820 -0.057 0.000 1.968 195 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 195 A C 2.378 179.958 177.584 -0.007 0.000 1.169 195 A CA 1.330 53.354 52.037 -0.022 0.000 0.638 195 A CB -1.019 17.971 19.000 -0.017 0.000 0.812 195 A HN 0.440 nan 8.150 nan 0.000 0.446 196 G N 0.769 109.543 108.800 -0.043 0.000 2.553 196 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.218 196 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.218 196 G C 1.487 176.372 174.900 -0.023 0.000 1.195 196 G CA 1.419 46.494 45.100 -0.041 0.000 0.779 196 G HN 0.506 nan 8.290 nan 0.000 0.577 197 I N 0.285 120.790 120.570 -0.108 0.000 2.315 197 I HA -0.084 4.086 4.170 -0.001 0.000 0.248 197 I C 2.570 178.666 176.117 -0.035 0.000 1.117 197 I CA 0.314 61.539 61.300 -0.126 0.000 1.404 197 I CB -0.247 37.572 38.000 -0.301 0.000 1.071 197 I HN 0.080 nan 8.210 nan 0.000 0.419 198 L N -0.117 121.106 121.223 -0.001 0.000 2.056 198 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 198 L C 2.555 179.504 176.870 0.132 0.000 1.078 198 L CA 1.832 56.699 54.840 0.045 0.000 0.749 198 L CB -1.154 40.928 42.059 0.040 0.000 0.901 198 L HN 0.206 nan 8.230 nan 0.000 0.433 199 F N 0.943 120.874 119.950 -0.032 0.000 2.091 199 F HA -0.283 4.243 4.527 -0.002 0.000 0.299 199 F C 2.418 178.197 175.800 -0.035 0.000 1.103 199 F CA 1.300 59.292 58.000 -0.014 0.000 1.228 199 F CB -0.437 38.553 39.000 -0.017 0.000 0.984 199 F HN -0.018 nan 8.300 nan 0.000 0.477 200 I N 0.917 121.469 120.570 -0.029 0.000 2.151 200 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 200 I C 2.308 178.337 176.117 -0.146 0.000 1.080 200 I CA 1.551 62.764 61.300 -0.146 0.000 1.339 200 I CB -1.013 36.940 38.000 -0.078 0.000 1.039 200 I HN 0.317 nan 8.210 nan 0.000 0.409 201 I N -2.562 117.959 120.570 -0.082 0.000 3.749 201 I HA 0.116 4.285 4.170 -0.001 0.000 0.314 201 I C 1.399 177.469 176.117 -0.077 0.000 1.278 201 I CA 0.761 62.012 61.300 -0.081 0.000 1.158 201 I CB -0.241 37.732 38.000 -0.046 0.000 1.018 201 I HN 0.314 nan 8.210 nan 0.000 0.435 202 E N 0.702 120.850 120.200 -0.087 0.000 2.603 202 E HA -0.020 4.329 4.350 -0.001 0.000 0.218 202 E C 1.021 177.553 176.600 -0.114 0.000 0.878 202 E CA 0.286 56.647 56.400 -0.065 0.000 1.348 202 E CB 0.783 30.492 29.700 0.016 0.000 1.318 202 E HN 0.547 nan 8.360 nan 0.000 0.673 203 E N -0.726 119.339 120.200 -0.225 0.000 3.952 203 E HA 0.115 4.465 4.350 -0.001 0.000 0.223 203 E C 1.693 178.060 176.600 -0.387 0.000 1.295 203 E CA 0.264 56.478 56.400 -0.311 0.000 1.670 203 E CB -0.179 29.271 29.700 -0.417 0.000 1.588 203 E HN -0.053 nan 8.360 nan 0.000 0.664 204 M N 1.954 121.196 119.600 -0.597 0.000 2.088 204 M HA -0.129 4.350 4.480 -0.001 0.000 0.256 204 M C 0.884 177.030 176.300 -0.257 0.000 1.071 204 M CA 1.584 56.621 55.300 -0.438 0.000 1.097 204 M CB -1.659 30.681 32.600 -0.433 0.000 1.315 204 M HN 0.159 nan 8.290 nan 0.000 0.406 205 R N 1.523 121.880 120.500 -0.239 0.000 2.678 205 R HA 0.045 4.384 4.340 -0.001 0.000 0.264 205 R C -2.513 173.681 176.300 -0.177 0.000 0.995 205 R CA -1.000 54.978 56.100 -0.203 0.000 1.098 205 R CB -1.405 28.773 30.300 -0.203 0.000 0.949 205 R HN 0.051 nan 8.270 nan 0.000 0.422 206 P HA -0.096 nan 4.420 nan 0.000 0.256 206 P C -0.404 176.826 177.300 -0.116 0.000 1.173 206 P CA 0.379 63.424 63.100 -0.092 0.000 0.768 206 P CB 0.674 32.310 31.700 -0.107 0.000 0.758 207 Q N 2.484 122.203 119.800 -0.134 0.000 2.331 207 Q HA 0.040 4.379 4.340 -0.001 0.000 0.203 207 Q C 0.567 176.205 176.000 -0.604 0.000 0.944 207 Q CA 1.614 57.151 55.803 -0.442 0.000 0.892 207 Q CB -0.141 28.186 28.738 -0.685 0.000 0.983 207 Q HN 0.455 nan 8.270 nan 0.000 0.482 208 F N -0.839 119.099 119.950 -0.020 0.000 2.706 208 F HA 0.319 4.845 4.527 -0.001 0.000 0.313 208 F C 0.212 176.020 175.800 0.014 0.000 1.096 208 F CA -0.472 57.527 58.000 -0.000 0.000 1.219 208 F CB 0.491 39.494 39.000 0.005 0.000 1.051 208 F HN -0.133 nan 8.300 nan 0.000 0.568 209 R N -1.929 118.661 120.500 0.150 0.000 2.774 209 R HA 0.401 4.740 4.340 -0.001 0.000 0.272 209 R C -0.980 175.375 176.300 0.092 0.000 1.000 209 R CA -0.991 55.188 56.100 0.133 0.000 0.906 209 R CB 0.701 31.084 30.300 0.138 0.000 1.227 209 R HN -0.056 nan 8.270 nan 0.000 0.468 210 Y N 1.195 121.500 120.300 0.008 0.000 2.914 210 Y HA 0.001 4.550 4.550 -0.002 0.000 0.348 210 Y C -0.532 175.352 175.900 -0.027 0.000 1.278 210 Y CA 1.645 59.740 58.100 -0.008 0.000 1.491 210 Y CB 0.683 39.146 38.460 0.006 0.000 1.334 210 Y HN 0.739 nan 8.280 nan 0.000 0.650 211 T N 5.584 119.747 114.554 -0.652 0.000 2.923 211 T HA 0.339 4.688 4.350 -0.001 0.000 0.311 211 T C -0.860 173.609 174.700 -0.385 0.000 1.183 211 T CA -0.841 61.027 62.100 -0.387 0.000 1.020 211 T CB 1.220 69.843 68.868 -0.408 0.000 1.165 211 T HN 0.442 nan 8.240 nan 0.000 0.482 212 L N 2.149 123.334 121.223 -0.062 0.000 2.865 212 L HA 0.413 4.753 4.340 -0.001 0.000 0.233 212 L C -0.264 176.614 176.870 0.013 0.000 1.320 212 L CA 0.113 54.976 54.840 0.038 0.000 1.225 212 L CB -0.763 41.396 42.059 0.167 0.000 1.542 212 L HN 0.508 nan 8.230 nan 0.000 0.432 213 I N -0.792 119.723 120.570 -0.092 0.000 2.395 213 I HA 0.139 4.308 4.170 -0.001 0.000 0.289 213 I C 0.781 176.880 176.117 -0.031 0.000 1.023 213 I CA 0.003 61.270 61.300 -0.055 0.000 1.350 213 I CB 1.287 39.222 38.000 -0.108 0.000 1.409 213 I HN 0.153 nan 8.210 nan 0.000 0.507 214 S N 6.292 121.996 115.700 0.006 0.000 2.420 214 S HA 0.381 4.850 4.470 -0.001 0.000 0.313 214 S C 1.287 175.907 174.600 0.032 0.000 1.079 214 S CA -0.686 57.525 58.200 0.019 0.000 1.104 214 S CB 0.378 63.595 63.200 0.028 0.000 0.969 214 S HN 0.543 nan 8.310 nan 0.000 0.471 215 I N 4.601 125.195 120.570 0.041 0.000 2.118 215 I HA -0.231 3.938 4.170 -0.001 0.000 0.241 215 I C 2.588 178.792 176.117 0.146 0.000 1.070 215 I CA 1.458 62.816 61.300 0.097 0.000 1.327 215 I CB -0.339 37.724 38.000 0.106 0.000 1.034 215 I HN 0.702 nan 8.210 nan 0.000 0.405 216 K N 0.952 121.391 120.400 0.066 0.000 2.228 216 K HA -0.239 4.080 4.320 -0.001 0.000 0.205 216 K C 1.960 178.599 176.600 0.065 0.000 1.045 216 K CA 1.687 57.983 56.287 0.014 0.000 0.931 216 K CB -0.036 32.444 32.500 -0.033 0.000 0.727 216 K HN 0.388 nan 8.250 nan 0.000 0.458 217 A N 0.004 122.864 122.820 0.065 0.000 1.903 217 A HA -0.006 4.313 4.320 -0.001 0.000 0.213 217 A C 2.128 179.753 177.584 0.068 0.000 1.185 217 A CA 0.977 53.044 52.037 0.050 0.000 0.628 217 A CB -0.277 18.738 19.000 0.026 0.000 0.830 217 A HN 0.127 nan 8.150 nan 0.000 0.446 218 V N -0.932 119.029 119.914 0.080 0.000 2.287 218 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 218 V C 2.235 178.371 176.094 0.070 0.000 1.053 218 V CA 2.074 64.404 62.300 0.050 0.000 1.027 218 V CB -1.184 30.656 31.823 0.028 0.000 0.646 218 V HN 0.503 nan 8.190 nan 0.000 0.447 219 F N 0.238 120.173 119.950 -0.025 0.000 2.027 219 F HA -0.269 4.257 4.527 -0.002 0.000 0.297 219 F C 2.309 178.092 175.800 -0.029 0.000 1.129 219 F CA 2.387 60.373 58.000 -0.023 0.000 1.195 219 F CB -0.439 38.549 39.000 -0.020 0.000 0.960 219 F HN 0.005 nan 8.300 nan 0.000 0.485 220 I N -0.387 120.319 120.570 0.227 0.000 2.185 220 I HA -0.363 3.806 4.170 -0.001 0.000 0.246 220 I C 2.626 178.761 176.117 0.031 0.000 1.088 220 I CA 1.585 62.942 61.300 0.095 0.000 1.347 220 I CB -1.257 36.765 38.000 0.036 0.000 1.041 220 I HN 0.315 nan 8.210 nan 0.000 0.415 221 G N 0.336 109.143 108.800 0.012 0.000 2.414 221 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.215 221 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.215 221 G C 1.681 176.562 174.900 -0.032 0.000 1.188 221 G CA 0.857 45.940 45.100 -0.028 0.000 0.783 221 G HN 0.235 nan 8.290 nan 0.000 0.537 222 V N 1.561 121.451 119.914 -0.039 0.000 2.231 222 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 222 V C 2.770 178.840 176.094 -0.039 0.000 1.054 222 V CA 1.821 64.080 62.300 -0.068 0.000 1.015 222 V CB -0.622 31.117 31.823 -0.139 0.000 0.638 222 V HN 0.390 nan 8.190 nan 0.000 0.444 223 I N -0.608 119.959 120.570 -0.005 0.000 2.093 223 I HA -0.399 3.771 4.170 -0.001 0.000 0.239 223 I C 2.647 178.771 176.117 0.012 0.000 1.026 223 I CA 2.144 63.458 61.300 0.024 0.000 1.295 223 I CB -0.459 37.577 38.000 0.060 0.000 1.007 223 I HN 0.314 nan 8.210 nan 0.000 0.401 224 M N 0.383 119.983 119.600 -0.001 0.000 2.159 224 M HA -0.141 4.339 4.480 -0.001 0.000 0.263 224 M C 2.629 178.927 176.300 -0.003 0.000 1.063 224 M CA 2.161 57.455 55.300 -0.010 0.000 1.110 224 M CB -1.418 31.159 32.600 -0.039 0.000 1.374 224 M HN 0.448 nan 8.290 nan 0.000 0.411 225 S N -0.913 114.778 115.700 -0.014 0.000 2.387 225 S HA -0.073 4.396 4.470 -0.001 0.000 0.226 225 S C 1.946 176.566 174.600 0.033 0.000 1.026 225 S CA 1.507 59.702 58.200 -0.008 0.000 0.972 225 S CB -0.836 62.341 63.200 -0.040 0.000 0.814 225 S HN 0.388 nan 8.310 nan 0.000 0.477 226 T N 3.225 117.792 114.554 0.022 0.000 2.622 226 T HA 0.040 4.389 4.350 -0.001 0.000 0.266 226 T C 1.716 176.491 174.700 0.125 0.000 1.047 226 T CA 1.702 63.838 62.100 0.059 0.000 1.159 226 T CB -0.614 68.263 68.868 0.016 0.000 0.863 226 T HN 0.387 nan 8.240 nan 0.000 0.422 227 I N 0.962 121.579 120.570 0.077 0.000 2.145 227 I HA -0.268 3.901 4.170 -0.001 0.000 0.244 227 I C 2.578 178.760 176.117 0.108 0.000 1.075 227 I CA 1.283 62.626 61.300 0.073 0.000 1.332 227 I CB -0.396 37.628 38.000 0.040 0.000 1.033 227 I HN 0.265 nan 8.210 nan 0.000 0.410 228 M N -0.676 118.990 119.600 0.110 0.000 2.117 228 M HA -0.247 4.232 4.480 -0.001 0.000 0.262 228 M C 2.483 178.897 176.300 0.190 0.000 1.065 228 M CA 1.883 57.265 55.300 0.136 0.000 1.114 228 M CB -1.312 31.315 32.600 0.046 0.000 1.361 228 M HN 0.272 nan 8.290 nan 0.000 0.408 229 Y N 1.591 121.920 120.300 0.049 0.000 2.207 229 Y HA -0.199 4.350 4.550 -0.002 0.000 0.287 229 Y C 2.386 178.375 175.900 0.149 0.000 1.156 229 Y CA 1.719 59.861 58.100 0.070 0.000 1.182 229 Y CB -0.050 38.428 38.460 0.031 0.000 0.979 229 Y HN 0.110 nan 8.280 nan 0.000 0.521 230 R N 0.150 120.776 120.500 0.210 0.000 2.115 230 R HA -0.030 4.309 4.340 -0.001 0.000 0.226 230 R C 2.124 178.409 176.300 -0.025 0.000 1.100 230 R CA 1.276 57.443 56.100 0.111 0.000 0.980 230 R CB -0.651 29.717 30.300 0.112 0.000 0.875 230 R HN 0.463 nan 8.270 nan 0.000 0.445 231 I N 0.048 120.645 120.570 0.044 0.000 2.916 231 I HA -0.158 4.011 4.170 -0.001 0.000 0.267 231 I C 0.767 176.785 176.117 -0.165 0.000 1.263 231 I CA 1.242 62.481 61.300 -0.100 0.000 1.471 231 I CB -0.081 37.937 38.000 0.030 0.000 1.089 231 I HN -0.002 nan 8.210 nan 0.000 0.468 232 F N -0.611 119.285 119.950 -0.091 0.000 2.871 232 F HA 0.206 4.732 4.527 -0.001 0.000 0.344 232 F C 1.417 177.156 175.800 -0.102 0.000 1.078 232 F CA -0.128 57.836 58.000 -0.059 0.000 1.149 232 F CB 0.084 39.027 39.000 -0.095 0.000 1.087 232 F HN -0.030 nan 8.300 nan 0.000 0.557 233 N N -0.837 117.849 118.700 -0.024 0.000 2.145 233 N HA 0.030 4.769 4.740 -0.001 0.000 0.219 233 N C 0.240 175.745 175.510 -0.009 0.000 1.266 233 N CA -0.050 52.895 53.050 -0.176 0.000 0.902 233 N CB -0.048 38.004 38.487 -0.725 0.000 1.078 233 N HN 0.434 nan 8.380 nan 0.000 0.513 234 H N 1.255 120.273 119.070 -0.086 0.000 2.964 234 H HA 0.061 4.616 4.556 -0.002 0.000 0.368 234 H C 0.028 175.342 175.328 -0.023 0.000 1.212 234 H CA 0.288 56.323 56.048 -0.020 0.000 1.421 234 H CB 0.508 30.262 29.762 -0.013 0.000 1.385 234 H HN -0.184 nan 8.280 nan 0.000 0.614 235 E N -1.577 118.532 120.200 -0.152 0.000 3.763 235 E HA -0.144 4.205 4.350 -0.001 0.000 0.319 235 E C -1.144 175.393 176.600 -0.105 0.000 0.804 235 E CA 0.955 57.235 56.400 -0.199 0.000 1.196 235 E CB -2.121 27.346 29.700 -0.388 0.000 1.607 235 E HN 0.476 nan 8.360 nan 0.000 0.431 236 V N -1.138 118.750 119.914 -0.044 0.000 2.775 236 V HA 0.724 4.843 4.120 -0.001 0.000 0.295 236 V C 0.170 176.284 176.094 0.034 0.000 1.226 236 V CA -0.712 61.583 62.300 -0.009 0.000 0.934 236 V CB 1.961 33.779 31.823 -0.009 0.000 1.056 236 V HN 0.290 nan 8.190 nan 0.000 0.436 237 A N 3.585 126.420 122.820 0.025 0.000 2.332 237 A HA 0.727 5.046 4.320 -0.001 0.000 0.258 237 A C 0.974 178.565 177.584 0.011 0.000 1.087 237 A CA -0.231 51.824 52.037 0.029 0.000 0.802 237 A CB 0.432 19.430 19.000 -0.004 0.000 1.042 237 A HN 0.939 nan 8.150 nan 0.000 0.489 238 L N 0.412 121.628 121.223 -0.012 0.000 2.109 238 L HA 0.078 4.417 4.340 -0.001 0.000 0.207 238 L C 0.088 176.819 176.870 -0.231 0.000 1.086 238 L CA 1.072 55.857 54.840 -0.090 0.000 0.760 238 L CB -0.247 41.726 42.059 -0.143 0.000 0.910 238 L HN 0.562 nan 8.230 nan 0.000 0.437 239 I N -0.524 119.902 120.570 -0.240 0.000 2.439 239 I HA 0.213 4.383 4.170 -0.001 0.000 0.285 239 I C -0.980 175.072 176.117 -0.108 0.000 1.021 239 I CA -0.532 60.642 61.300 -0.209 0.000 1.091 239 I CB 1.819 39.652 38.000 -0.279 0.000 1.242 239 I HN -0.135 nan 8.210 nan 0.000 0.439 240 D N 5.075 125.435 120.400 -0.067 0.000 2.198 240 D HA 0.388 5.028 4.640 -0.001 0.000 0.245 240 D C 0.203 176.482 176.300 -0.035 0.000 1.079 240 D CA -0.042 53.932 54.000 -0.042 0.000 0.854 240 D CB 2.622 43.406 40.800 -0.027 0.000 1.148 240 D HN 0.232 nan 8.370 nan 0.000 0.456 241 V N 1.924 121.818 119.914 -0.032 0.000 3.426 241 V HA 0.285 4.404 4.120 -0.001 0.000 0.279 241 V C 0.901 176.983 176.094 -0.019 0.000 1.544 241 V CA 0.474 62.760 62.300 -0.025 0.000 1.017 241 V CB 0.107 31.913 31.823 -0.030 0.000 0.821 241 V HN 0.892 nan 8.190 nan 0.000 0.432 242 G N 1.924 110.712 108.800 -0.019 0.000 2.888 242 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.441 242 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.441 242 G C -0.400 174.490 174.900 -0.016 0.000 1.461 242 G CA 0.131 45.222 45.100 -0.015 0.000 0.897 242 G HN 0.517 nan 8.290 nan 0.000 0.547 243 K N 0.548 120.941 120.400 -0.013 0.000 2.285 243 K HA 0.578 4.897 4.320 -0.001 0.000 0.286 243 K C 0.786 177.378 176.600 -0.014 0.000 1.072 243 K CA -0.598 55.681 56.287 -0.013 0.000 0.913 243 K CB 0.254 32.749 32.500 -0.009 0.000 1.067 243 K HN 0.476 nan 8.250 nan 0.000 0.479 244 L N 2.351 123.561 121.223 -0.021 0.000 2.469 244 L HA 0.321 4.660 4.340 -0.001 0.000 0.253 244 L C 0.856 177.713 176.870 -0.022 0.000 1.143 244 L CA -0.455 54.374 54.840 -0.018 0.000 0.804 244 L CB 1.111 43.155 42.059 -0.026 0.000 1.214 244 L HN 0.941 nan 8.230 nan 0.000 0.476 245 S N -0.328 115.364 115.700 -0.013 0.000 2.606 245 S HA 0.066 4.536 4.470 -0.001 0.000 0.257 245 S C -0.163 174.414 174.600 -0.038 0.000 1.327 245 S CA -0.438 57.755 58.200 -0.011 0.000 0.984 245 S CB 0.922 64.131 63.200 0.016 0.000 0.941 245 S HN 0.525 nan 8.310 nan 0.000 0.576 246 D N 0.221 120.597 120.400 -0.041 0.000 2.539 246 D HA 0.724 5.363 4.640 -0.001 0.000 0.280 246 D C -0.647 175.602 176.300 -0.085 0.000 1.208 246 D CA 0.009 53.964 54.000 -0.075 0.000 1.088 246 D CB 0.801 41.562 40.800 -0.064 0.000 1.149 246 D HN 0.861 nan 8.370 nan 0.000 0.596 247 A N 0.555 123.303 122.820 -0.120 0.000 2.457 247 A HA 0.569 4.888 4.320 -0.001 0.000 0.283 247 A C -2.589 174.930 177.584 -0.108 0.000 1.166 247 A CA -1.168 50.789 52.037 -0.132 0.000 0.740 247 A CB 0.614 19.449 19.000 -0.276 0.000 1.181 247 A HN 0.261 nan 8.150 nan 0.000 0.446 248 P HA 0.185 nan 4.420 nan 0.000 0.269 248 P C 1.045 178.306 177.300 -0.064 0.000 1.209 248 P CA -0.374 62.694 63.100 -0.052 0.000 0.776 248 P CB 0.637 32.320 31.700 -0.028 0.000 0.876 249 L N 1.604 122.801 121.223 -0.043 0.000 2.191 249 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 249 L C 1.870 178.740 176.870 0.000 0.000 1.103 249 L CA 1.344 56.167 54.840 -0.028 0.000 0.769 249 L CB -0.752 41.298 42.059 -0.016 0.000 0.908 249 L HN 0.561 nan 8.230 nan 0.000 0.438 250 N N -1.181 117.512 118.700 -0.011 0.000 2.515 250 N HA -0.111 4.628 4.740 -0.001 0.000 0.191 250 N C 1.122 176.579 175.510 -0.088 0.000 1.182 250 N CA 0.822 53.880 53.050 0.013 0.000 0.879 250 N CB 0.007 38.533 38.487 0.066 0.000 0.984 250 N HN 0.072 nan 8.380 nan 0.000 0.453 251 T N 0.180 114.649 114.554 -0.141 0.000 3.023 251 T HA 0.342 4.691 4.350 -0.001 0.000 0.253 251 T C 1.629 176.335 174.700 0.010 0.000 1.038 251 T CA -0.373 61.570 62.100 -0.262 0.000 0.962 251 T CB 0.344 69.072 68.868 -0.233 0.000 1.018 251 T HN 0.095 nan 8.240 nan 0.000 0.521 252 L N 0.984 122.283 121.223 0.127 0.000 2.109 252 L HA -0.001 4.338 4.340 -0.001 0.000 0.207 252 L C 2.745 179.757 176.870 0.237 0.000 1.086 252 L CA 1.094 56.047 54.840 0.187 0.000 0.760 252 L CB -0.456 41.657 42.059 0.090 0.000 0.910 252 L HN 0.564 nan 8.230 nan 0.000 0.437 253 W N 0.727 122.078 121.300 0.084 0.000 2.331 253 W HA -0.216 4.443 4.660 -0.002 0.000 0.291 253 W C 1.680 178.281 176.519 0.137 0.000 1.214 253 W CA 0.707 58.105 57.345 0.087 0.000 1.228 253 W CB -1.356 28.132 29.460 0.046 0.000 1.135 253 W HN 0.165 nan 8.180 nan 0.000 0.537 254 L N -0.128 120.665 121.223 -0.717 0.000 2.083 254 L HA -0.244 4.095 4.340 -0.001 0.000 0.209 254 L C 2.635 179.452 176.870 -0.088 0.000 1.083 254 L CA 1.723 56.222 54.840 -0.568 0.000 0.752 254 L CB -1.206 40.503 42.059 -0.584 0.000 0.899 254 L HN -0.116 nan 8.230 nan 0.000 0.433 255 Y N -0.706 119.639 120.300 0.076 0.000 2.352 255 Y HA -0.218 4.331 4.550 -0.001 0.000 0.292 255 Y C 2.262 178.146 175.900 -0.027 0.000 1.136 255 Y CA 0.718 58.853 58.100 0.058 0.000 1.227 255 Y CB -0.208 38.236 38.460 -0.027 0.000 0.991 255 Y HN 0.081 nan 8.280 nan 0.000 0.545 256 L N 0.103 121.405 121.223 0.130 0.000 2.005 256 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 256 L C 2.093 178.983 176.870 0.033 0.000 1.072 256 L CA 1.500 56.395 54.840 0.091 0.000 0.744 256 L CB -0.931 41.215 42.059 0.146 0.000 0.895 256 L HN 0.200 nan 8.230 nan 0.000 0.433 257 I N -0.776 119.809 120.570 0.026 0.000 2.087 257 I HA -0.368 3.801 4.170 -0.001 0.000 0.240 257 I C 2.432 178.407 176.117 -0.237 0.000 1.054 257 I CA 1.846 63.130 61.300 -0.026 0.000 1.311 257 I CB -0.459 37.579 38.000 0.063 0.000 1.024 257 I HN 0.366 nan 8.210 nan 0.000 0.402 258 L N 1.002 121.890 121.223 -0.557 0.000 2.127 258 L HA -0.113 4.226 4.340 -0.001 0.000 0.211 258 L C 2.226 178.995 176.870 -0.168 0.000 1.089 258 L CA 2.208 56.582 54.840 -0.777 0.000 0.757 258 L CB -1.072 40.401 42.059 -0.977 0.000 0.899 258 L HN 0.214 nan 8.230 nan 0.000 0.434 259 G N -0.309 108.441 108.800 -0.083 0.000 2.402 259 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.216 259 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.216 259 G C 1.603 176.532 174.900 0.047 0.000 1.162 259 G CA 1.047 46.146 45.100 -0.001 0.000 0.777 259 G HN 0.481 nan 8.290 nan 0.000 0.539 260 I N 0.552 121.132 120.570 0.016 0.000 2.208 260 I HA -0.160 4.009 4.170 -0.001 0.000 0.245 260 I C 2.650 178.789 176.117 0.037 0.000 1.097 260 I CA 0.777 62.100 61.300 0.039 0.000 1.363 260 I CB -0.193 37.836 38.000 0.048 0.000 1.051 260 I HN 0.154 nan 8.210 nan 0.000 0.413 261 I N 0.061 120.619 120.570 -0.020 0.000 2.113 261 I HA -0.323 3.846 4.170 -0.001 0.000 0.238 261 I C 2.386 178.490 176.117 -0.022 0.000 1.070 261 I CA 1.760 63.024 61.300 -0.060 0.000 1.332 261 I CB -0.437 37.448 38.000 -0.192 0.000 1.044 261 I HN 0.057 nan 8.210 nan 0.000 0.402 262 F N 1.008 120.905 119.950 -0.089 0.000 2.236 262 F HA -0.219 4.308 4.527 -0.001 0.000 0.302 262 F C 2.448 178.258 175.800 0.016 0.000 1.073 262 F CA 1.537 59.518 58.000 -0.032 0.000 1.336 262 F CB -0.857 38.088 39.000 -0.091 0.000 1.040 262 F HN 0.081 nan 8.300 nan 0.000 0.507 263 G N 0.181 109.085 108.800 0.172 0.000 2.422 263 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.218 263 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.218 263 G C 1.606 176.551 174.900 0.075 0.000 1.140 263 G CA 0.980 46.133 45.100 0.089 0.000 0.775 263 G HN 0.547 nan 8.290 nan 0.000 0.545 264 I N -3.213 117.411 120.570 0.089 0.000 2.480 264 I HA 0.322 4.491 4.170 -0.001 0.000 0.251 264 I C 2.331 178.489 176.117 0.069 0.000 1.124 264 I CA 0.603 61.948 61.300 0.075 0.000 1.444 264 I CB -0.128 37.921 38.000 0.081 0.000 1.098 264 I HN 0.023 nan 8.210 nan 0.000 0.428 265 F N 2.296 122.212 119.950 -0.057 0.000 2.367 265 F HA 0.275 4.801 4.527 -0.001 0.000 0.298 265 F C 2.221 177.974 175.800 -0.077 0.000 1.094 265 F CA 0.925 58.863 58.000 -0.103 0.000 1.409 265 F CB -0.345 38.562 39.000 -0.155 0.000 1.064 265 F HN 0.097 nan 8.300 nan 0.000 0.528 266 G N 1.377 110.229 108.800 0.087 0.000 2.514 266 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 266 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 266 G C -0.708 174.151 174.900 -0.068 0.000 1.198 266 G CA 1.112 46.241 45.100 0.048 0.000 0.780 266 G HN 0.288 nan 8.290 nan 0.000 0.565 267 P HA -0.056 nan 4.420 nan 0.000 0.214 267 P C 2.021 179.191 177.300 -0.216 0.000 1.163 267 P CA 0.865 63.907 63.100 -0.097 0.000 0.883 267 P CB -0.146 31.522 31.700 -0.053 0.000 0.788 268 I N -1.874 118.491 120.570 -0.341 0.000 2.151 268 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 268 I C 2.303 177.816 176.117 -1.008 0.000 1.080 268 I CA 1.663 62.613 61.300 -0.584 0.000 1.339 268 I CB -0.738 36.856 38.000 -0.676 0.000 1.039 268 I HN -0.136 nan 8.210 nan 0.000 0.409 269 F N 1.718 120.930 119.950 -1.231 0.000 2.293 269 F HA -0.149 4.378 4.527 -0.001 0.000 0.300 269 F C 2.068 177.606 175.800 -0.437 0.000 1.086 269 F CA 1.511 58.888 58.000 -1.039 0.000 1.375 269 F CB -0.520 37.970 39.000 -0.850 0.000 1.045 269 F HN 0.080 nan 8.300 nan 0.000 0.516 270 N N 0.085 118.648 118.700 -0.229 0.000 2.084 270 N HA -0.193 4.546 4.740 -0.001 0.000 0.190 270 N C 1.713 177.157 175.510 -0.110 0.000 1.030 270 N CA 1.232 54.213 53.050 -0.114 0.000 0.849 270 N CB -0.062 38.402 38.487 -0.037 0.000 1.012 270 N HN 0.264 nan 8.380 nan 0.000 0.423 271 K N 0.364 120.698 120.400 -0.109 0.000 2.001 271 K HA -0.179 4.140 4.320 -0.001 0.000 0.214 271 K C 1.786 178.462 176.600 0.126 0.000 1.050 271 K CA 1.562 57.867 56.287 0.031 0.000 0.934 271 K CB -0.192 32.374 32.500 0.109 0.000 0.718 271 K HN 0.302 nan 8.250 nan 0.000 0.443 272 W N 0.261 121.431 121.300 -0.217 0.000 2.363 272 W HA -0.106 4.554 4.660 -0.001 0.000 0.296 272 W C 2.149 178.512 176.519 -0.260 0.000 1.212 272 W CA 0.067 57.269 57.345 -0.239 0.000 1.260 272 W CB -1.357 27.927 29.460 -0.293 0.000 1.131 272 W HN -0.032 nan 8.180 nan 0.000 0.530 273 V N 0.802 120.635 119.914 -0.134 0.000 2.343 273 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 273 V C 2.066 178.171 176.094 0.018 0.000 1.051 273 V CA 1.696 63.939 62.300 -0.095 0.000 1.036 273 V CB -0.430 31.335 31.823 -0.098 0.000 0.654 273 V HN 0.082 nan 8.190 nan 0.000 0.451 274 L N 0.146 121.381 121.223 0.019 0.000 1.988 274 L HA 0.017 4.356 4.340 -0.001 0.000 0.207 274 L C 2.770 179.649 176.870 0.015 0.000 1.071 274 L CA 1.817 56.673 54.840 0.027 0.000 0.744 274 L CB -1.524 40.551 42.059 0.028 0.000 0.893 274 L HN 0.468 nan 8.230 nan 0.000 0.433 275 G N -0.181 108.632 108.800 0.022 0.000 2.476 275 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.218 275 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.218 275 G C 1.524 176.413 174.900 -0.017 0.000 1.164 275 G CA 1.023 46.124 45.100 0.002 0.000 0.768 275 G HN 0.184 nan 8.290 nan 0.000 0.560 276 M N 0.340 119.934 119.600 -0.010 0.000 2.374 276 M HA 0.079 4.558 4.480 -0.001 0.000 0.264 276 M C 2.458 178.754 176.300 -0.006 0.000 1.067 276 M CA 1.094 56.383 55.300 -0.018 0.000 1.103 276 M CB -0.327 32.272 32.600 -0.001 0.000 1.402 276 M HN 0.336 nan 8.290 nan 0.000 0.444 277 Q N -0.299 119.503 119.800 0.002 0.000 2.079 277 Q HA -0.183 4.156 4.340 -0.001 0.000 0.200 277 Q C 1.455 177.458 176.000 0.003 0.000 0.974 277 Q CA 1.683 57.492 55.803 0.011 0.000 0.840 277 Q CB -0.035 28.705 28.738 0.003 0.000 0.898 277 Q HN 0.509 nan 8.270 nan 0.000 0.430 278 D N 0.636 121.026 120.400 -0.018 0.000 2.075 278 D HA -0.158 4.481 4.640 -0.001 0.000 0.196 278 D C 1.774 178.049 176.300 -0.041 0.000 0.985 278 D CA 0.713 54.696 54.000 -0.029 0.000 0.834 278 D CB -0.455 40.322 40.800 -0.039 0.000 0.987 278 D HN 0.155 nan 8.370 nan 0.000 0.452 279 L N 0.460 121.649 121.223 -0.057 0.000 2.450 279 L HA -0.123 4.217 4.340 -0.001 0.000 0.225 279 L C 1.811 178.611 176.870 -0.117 0.000 1.145 279 L CA 0.715 55.505 54.840 -0.082 0.000 0.801 279 L CB 0.036 42.047 42.059 -0.080 0.000 0.924 279 L HN 0.039 nan 8.230 nan 0.000 0.447 280 L N -1.938 119.218 121.223 -0.112 0.000 2.463 280 L HA -0.074 4.265 4.340 -0.001 0.000 0.219 280 L C 2.138 178.740 176.870 -0.447 0.000 1.088 280 L CA 0.205 54.935 54.840 -0.183 0.000 0.849 280 L CB -0.219 41.809 42.059 -0.052 0.000 1.012 280 L HN 0.313 nan 8.230 nan 0.000 0.468 281 H N 0.658 119.468 119.070 -0.433 0.000 2.389 281 H HA -0.099 4.456 4.556 -0.002 0.000 0.299 281 H C 2.332 177.231 175.328 -0.715 0.000 1.081 281 H CA 1.600 57.294 56.048 -0.590 0.000 1.345 281 H CB 0.261 29.872 29.762 -0.250 0.000 1.393 281 H HN 0.067 nan 8.280 nan 0.000 0.520 282 R N -0.431 119.824 120.500 -0.410 0.000 2.083 282 R HA -0.102 4.237 4.340 -0.001 0.000 0.237 282 R C 2.072 178.089 176.300 -0.471 0.000 1.137 282 R CA 1.552 57.442 56.100 -0.351 0.000 0.951 282 R CB -0.501 29.683 30.300 -0.194 0.000 0.851 282 R HN 0.201 nan 8.270 nan 0.000 0.434 283 V N 1.590 121.185 119.914 -0.530 0.000 3.284 283 V HA -0.177 3.942 4.120 -0.001 0.000 0.273 283 V C 0.720 176.569 176.094 -0.408 0.000 1.178 283 V CA 1.871 63.932 62.300 -0.398 0.000 1.177 283 V CB -1.088 30.577 31.823 -0.263 0.000 0.793 283 V HN 0.586 nan 8.190 nan 0.000 0.536 284 H N -3.926 114.928 119.070 -0.361 0.000 3.726 284 H HA 0.403 4.958 4.556 -0.001 0.000 0.262 284 H C 1.560 176.685 175.328 -0.339 0.000 1.181 284 H CA -0.053 55.802 56.048 -0.321 0.000 1.143 284 H CB -0.465 29.082 29.762 -0.357 0.000 1.627 284 H HN 0.105 nan 8.280 nan 0.000 0.750 285 G N 0.901 109.433 108.800 -0.447 0.000 2.320 285 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.291 285 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.291 285 G C 1.347 176.086 174.900 -0.269 0.000 0.994 285 G CA 1.409 46.291 45.100 -0.363 0.000 0.760 285 G HN 1.691 nan 8.290 nan 0.000 0.514 286 G N -1.410 107.260 108.800 -0.217 0.000 2.192 286 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.193 286 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.193 286 G C 0.081 175.115 174.900 0.223 0.000 0.999 286 G CA 0.589 45.729 45.100 0.067 0.000 0.659 286 G HN 1.548 nan 8.290 nan 0.000 0.503 287 N N 0.864 119.648 118.700 0.140 0.000 2.405 287 N HA 0.401 5.140 4.740 -0.001 0.000 0.260 287 N C 1.579 177.198 175.510 0.183 0.000 1.152 287 N CA 0.055 53.185 53.050 0.134 0.000 0.948 287 N CB 0.307 38.837 38.487 0.072 0.000 1.111 287 N HN 0.260 nan 8.380 nan 0.000 0.485 288 I N 2.475 123.140 120.570 0.158 0.000 2.479 288 I HA -0.349 3.820 4.170 -0.001 0.000 0.258 288 I C 1.030 177.204 176.117 0.095 0.000 1.165 288 I CA 1.368 62.745 61.300 0.127 0.000 1.422 288 I CB 0.099 38.138 38.000 0.064 0.000 1.087 288 I HN 0.635 nan 8.210 nan 0.000 0.441 289 T N -0.096 114.499 114.554 0.068 0.000 2.983 289 T HA -0.031 4.318 4.350 -0.001 0.000 0.250 289 T C 1.670 176.402 174.700 0.054 0.000 1.037 289 T CA 0.732 62.848 62.100 0.027 0.000 1.142 289 T CB 0.099 68.966 68.868 -0.003 0.000 0.876 289 T HN 0.307 nan 8.240 nan 0.000 0.455 290 K N 0.051 120.501 120.400 0.084 0.000 2.432 290 K HA 0.012 4.331 4.320 -0.001 0.000 0.196 290 K C 1.754 178.441 176.600 0.144 0.000 1.038 290 K CA 0.299 56.638 56.287 0.087 0.000 0.986 290 K CB 0.128 32.671 32.500 0.071 0.000 0.782 290 K HN 0.301 nan 8.250 nan 0.000 0.485 291 W N 0.863 122.113 121.300 -0.083 0.000 2.501 291 W HA -0.043 4.616 4.660 -0.001 0.000 0.309 291 W C 1.662 178.049 176.519 -0.219 0.000 1.165 291 W CA 0.547 57.738 57.345 -0.256 0.000 1.381 291 W CB -0.536 28.639 29.460 -0.475 0.000 1.142 291 W HN -0.270 nan 8.180 nan 0.000 0.509 292 V N 1.369 121.369 119.914 0.142 0.000 2.490 292 V HA -0.298 3.821 4.120 -0.001 0.000 0.250 292 V C 2.387 178.445 176.094 -0.061 0.000 1.061 292 V CA 1.627 63.936 62.300 0.015 0.000 1.064 292 V CB -0.935 30.918 31.823 0.050 0.000 0.670 292 V HN 0.088 nan 8.190 nan 0.000 0.461 293 L N -1.269 119.947 121.223 -0.011 0.000 2.109 293 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 293 L C 2.422 179.275 176.870 -0.028 0.000 1.086 293 L CA 1.574 56.410 54.840 -0.008 0.000 0.760 293 L CB -0.387 41.680 42.059 0.013 0.000 0.910 293 L HN 0.348 nan 8.230 nan 0.000 0.437 294 M N -0.363 119.219 119.600 -0.030 0.000 2.123 294 M HA -0.091 4.388 4.480 -0.001 0.000 0.263 294 M C 2.179 178.386 176.300 -0.156 0.000 1.069 294 M CA 1.996 57.275 55.300 -0.035 0.000 1.133 294 M CB -0.438 32.178 32.600 0.028 0.000 1.356 294 M HN 0.271 nan 8.290 nan 0.000 0.415 295 G N -0.448 108.068 108.800 -0.474 0.000 2.440 295 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 295 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 295 G C 1.412 176.030 174.900 -0.471 0.000 1.154 295 G CA 0.969 45.374 45.100 -1.157 0.000 0.767 295 G HN 0.618 nan 8.290 nan 0.000 0.552 296 G N 0.911 109.538 108.800 -0.288 0.000 2.485 296 G HA2 0.005 3.964 3.960 -0.001 0.000 0.221 296 G HA3 0.005 3.964 3.960 -0.001 0.000 0.221 296 G C 1.910 176.788 174.900 -0.037 0.000 1.115 296 G CA 1.599 46.667 45.100 -0.054 0.000 0.751 296 G HN 0.704 nan 8.290 nan 0.000 0.567 297 A N 0.580 123.388 122.820 -0.020 0.000 1.878 297 A HA 0.224 4.543 4.320 -0.001 0.000 0.213 297 A C 2.358 179.912 177.584 -0.050 0.000 1.192 297 A CA 0.958 53.030 52.037 0.058 0.000 0.619 297 A CB -0.221 18.850 19.000 0.118 0.000 0.837 297 A HN 0.331 nan 8.150 nan 0.000 0.446 298 I N 0.216 120.775 120.570 -0.018 0.000 2.127 298 I HA -0.227 3.942 4.170 -0.001 0.000 0.241 298 I C 2.741 178.844 176.117 -0.024 0.000 1.075 298 I CA 1.278 62.590 61.300 0.021 0.000 1.334 298 I CB -0.914 37.153 38.000 0.111 0.000 1.040 298 I HN 0.359 nan 8.210 nan 0.000 0.405 299 G N 0.828 109.627 108.800 -0.001 0.000 2.514 299 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 299 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 299 G C 1.765 176.536 174.900 -0.216 0.000 1.198 299 G CA 1.065 46.156 45.100 -0.014 0.000 0.780 299 G HN 0.514 nan 8.290 nan 0.000 0.565 300 G N 0.745 109.232 108.800 -0.522 0.000 2.505 300 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.220 300 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.220 300 G C 1.780 176.099 174.900 -0.969 0.000 1.145 300 G CA 1.273 45.587 45.100 -1.310 0.000 0.761 300 G HN 0.495 nan 8.290 nan 0.000 0.571 301 L N 0.531 121.448 121.223 -0.510 0.000 2.083 301 L HA -0.019 4.320 4.340 -0.001 0.000 0.209 301 L C 2.745 179.594 176.870 -0.036 0.000 1.083 301 L CA 1.624 56.395 54.840 -0.114 0.000 0.752 301 L CB -0.836 41.234 42.059 0.020 0.000 0.899 301 L HN 0.262 nan 8.230 nan 0.000 0.433 302 C N 0.056 119.328 119.300 -0.046 0.000 2.429 302 C HA -0.012 4.447 4.460 -0.001 0.000 0.277 302 C C 2.695 177.705 174.990 0.034 0.000 1.262 302 C CA 0.709 59.738 59.018 0.020 0.000 1.733 302 C CB -1.939 25.824 27.740 0.039 0.000 2.010 302 C HN 0.752 nan 8.230 nan 0.000 0.483 303 G N -0.341 108.453 108.800 -0.011 0.000 2.534 303 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.217 303 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.217 303 G C 1.485 176.432 174.900 0.079 0.000 1.128 303 G CA 0.428 45.543 45.100 0.025 0.000 0.784 303 G HN 0.487 nan 8.290 nan 0.000 0.542 304 L N 0.017 121.295 121.223 0.091 0.000 2.084 304 L HA 0.288 4.627 4.340 -0.001 0.000 0.202 304 L C 2.638 179.644 176.870 0.225 0.000 1.074 304 L CA 1.063 56.015 54.840 0.186 0.000 0.757 304 L CB -0.244 41.954 42.059 0.233 0.000 0.918 304 L HN 0.129 nan 8.230 nan 0.000 0.444 305 L N -0.423 120.903 121.223 0.171 0.000 2.131 305 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 305 L C 2.389 179.362 176.870 0.171 0.000 1.092 305 L CA 1.058 55.998 54.840 0.167 0.000 0.759 305 L CB -1.249 40.885 42.059 0.124 0.000 0.903 305 L HN 0.473 nan 8.230 nan 0.000 0.435 306 G N -1.049 107.851 108.800 0.167 0.000 2.535 306 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.218 306 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.218 306 G C 1.246 176.285 174.900 0.231 0.000 1.122 306 G CA 0.435 45.636 45.100 0.168 0.000 0.769 306 G HN 0.418 nan 8.290 nan 0.000 0.549 307 F N -0.063 119.937 119.950 0.083 0.000 2.789 307 F HA 0.220 4.746 4.527 -0.002 0.000 0.320 307 F C 1.805 177.660 175.800 0.092 0.000 1.079 307 F CA 0.453 58.501 58.000 0.080 0.000 1.205 307 F CB 0.847 39.892 39.000 0.076 0.000 1.046 307 F HN 0.020 nan 8.300 nan 0.000 0.586 308 V N -2.471 117.534 119.914 0.152 0.000 3.604 308 V HA 0.664 4.783 4.120 -0.001 0.000 0.277 308 V C 0.691 176.839 176.094 0.090 0.000 1.399 308 V CA 0.728 63.082 62.300 0.090 0.000 1.034 308 V CB 0.174 32.122 31.823 0.208 0.000 0.824 308 V HN 0.201 nan 8.190 nan 0.000 0.439 309 A N -0.326 122.571 122.820 0.127 0.000 2.639 309 A HA 0.540 4.859 4.320 -0.001 0.000 0.221 309 A C -1.255 176.422 177.584 0.154 0.000 0.879 309 A CA 0.147 52.290 52.037 0.176 0.000 1.189 309 A CB -0.305 18.873 19.000 0.296 0.000 1.231 309 A HN 0.364 nan 8.150 nan 0.000 0.457 310 P HA -0.328 nan 4.420 nan 0.000 0.222 310 P C 1.659 179.022 177.300 0.105 0.000 1.152 310 P CA 2.347 65.515 63.100 0.113 0.000 0.838 310 P CB 0.115 31.877 31.700 0.103 0.000 0.771 311 A N -1.063 121.821 122.820 0.107 0.000 2.067 311 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 311 A C 2.131 179.714 177.584 -0.001 0.000 1.158 311 A CA 2.096 54.171 52.037 0.063 0.000 0.661 311 A CB -1.517 17.496 19.000 0.022 0.000 0.801 311 A HN 0.388 nan 8.150 nan 0.000 0.452 312 T N -4.001 110.553 114.554 -0.000 0.000 3.054 312 T HA 0.188 4.537 4.350 -0.001 0.000 0.259 312 T C 1.166 175.868 174.700 0.003 0.000 1.092 312 T CA 0.871 62.934 62.100 -0.062 0.000 1.121 312 T CB -0.128 68.684 68.868 -0.094 0.000 0.912 312 T HN 0.255 nan 8.240 nan 0.000 0.489 313 S N -0.567 115.161 115.700 0.047 0.000 2.718 313 S HA 0.656 5.125 4.470 -0.001 0.000 0.292 313 S C 0.752 175.390 174.600 0.063 0.000 1.125 313 S CA 0.298 58.535 58.200 0.062 0.000 1.013 313 S CB 0.570 63.819 63.200 0.081 0.000 1.192 313 S HN 1.331 nan 8.310 nan 0.000 0.535 314 G N -0.067 108.773 108.800 0.067 0.000 2.877 314 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.279 314 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.279 314 G C 0.834 175.761 174.900 0.046 0.000 1.431 314 G CA 0.045 45.184 45.100 0.064 0.000 0.883 314 G HN 1.436 nan 8.290 nan 0.000 0.547 315 G N -1.048 107.771 108.800 0.030 0.000 2.446 315 G HA2 0.353 4.313 3.960 -0.001 0.000 0.217 315 G HA3 0.353 4.313 3.960 -0.001 0.000 0.217 315 G C 2.083 176.945 174.900 -0.063 0.000 1.168 315 G CA 2.287 47.365 45.100 -0.036 0.000 0.771 315 G HN 2.797 nan 8.290 nan 0.000 0.551 316 G N -1.090 107.720 108.800 0.016 0.000 2.179 316 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 316 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 316 G C 1.113 176.123 174.900 0.183 0.000 0.990 316 G CA 0.400 45.543 45.100 0.071 0.000 0.646 316 G HN 0.419 nan 8.290 nan 0.000 0.517 317 F N 1.525 121.532 119.950 0.096 0.000 2.236 317 F HA -0.190 4.336 4.527 -0.001 0.000 0.302 317 F C 2.650 178.503 175.800 0.088 0.000 1.073 317 F CA 1.161 59.215 58.000 0.090 0.000 1.336 317 F CB -0.139 38.926 39.000 0.108 0.000 1.040 317 F HN 0.246 nan 8.300 nan 0.000 0.507 318 N N 1.316 120.186 118.700 0.284 0.000 2.137 318 N HA -0.208 4.531 4.740 -0.001 0.000 0.190 318 N C 1.670 177.296 175.510 0.194 0.000 1.017 318 N CA 1.911 55.080 53.050 0.198 0.000 0.859 318 N CB -0.512 38.074 38.487 0.165 0.000 1.002 318 N HN 0.411 nan 8.380 nan 0.000 0.428 319 L N -2.268 119.088 121.223 0.223 0.000 2.616 319 L HA 0.360 4.699 4.340 -0.001 0.000 0.229 319 L C 1.804 178.832 176.870 0.264 0.000 1.110 319 L CA 0.325 55.334 54.840 0.282 0.000 0.884 319 L CB -0.198 42.031 42.059 0.283 0.000 1.115 319 L HN -0.110 nan 8.230 nan 0.000 0.481 320 I N 0.948 121.642 120.570 0.206 0.000 2.099 320 I HA -0.131 4.038 4.170 -0.001 0.000 0.239 320 I C -0.099 176.084 176.117 0.110 0.000 1.066 320 I CA 1.532 62.925 61.300 0.156 0.000 1.324 320 I CB -1.416 36.664 38.000 0.133 0.000 1.037 320 I HN 0.250 nan 8.210 nan 0.000 0.401 321 P HA -0.197 nan 4.420 nan 0.000 0.215 321 P C 1.839 179.148 177.300 0.015 0.000 1.163 321 P CA 1.794 64.912 63.100 0.030 0.000 0.894 321 P CB -0.063 31.648 31.700 0.018 0.000 0.791 322 I N -1.264 119.317 120.570 0.018 0.000 2.361 322 I HA -0.226 3.943 4.170 -0.001 0.000 0.251 322 I C 2.291 178.312 176.117 -0.160 0.000 1.133 322 I CA 1.398 62.615 61.300 -0.138 0.000 1.413 322 I CB -0.718 37.164 38.000 -0.197 0.000 1.073 322 I HN -0.080 nan 8.210 nan 0.000 0.424 323 A N 0.487 123.413 122.820 0.176 0.000 1.897 323 A HA -0.135 4.184 4.320 -0.001 0.000 0.215 323 A C 2.381 180.044 177.584 0.131 0.000 1.181 323 A CA 1.999 54.217 52.037 0.301 0.000 0.620 323 A CB -1.004 18.215 19.000 0.366 0.000 0.821 323 A HN 0.354 nan 8.150 nan 0.000 0.443 324 T N 0.627 115.232 114.554 0.086 0.000 2.803 324 T HA -0.031 4.318 4.350 -0.001 0.000 0.269 324 T C 1.826 176.545 174.700 0.032 0.000 1.052 324 T CA 1.394 63.528 62.100 0.057 0.000 1.136 324 T CB -0.325 68.563 68.868 0.033 0.000 0.864 324 T HN 0.546 nan 8.240 nan 0.000 0.467 325 A N 0.564 123.383 122.820 -0.001 0.000 2.259 325 A HA 0.516 4.835 4.320 -0.001 0.000 0.208 325 A C 1.861 179.428 177.584 -0.028 0.000 1.201 325 A CA 0.562 52.585 52.037 -0.022 0.000 0.824 325 A CB -1.022 17.948 19.000 -0.050 0.000 0.838 325 A HN 0.694 nan 8.150 nan 0.000 0.485 326 G N -0.003 108.795 108.800 -0.003 0.000 2.258 326 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.274 326 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.274 326 G C 0.552 175.432 174.900 -0.034 0.000 1.021 326 G CA 0.711 45.818 45.100 0.013 0.000 0.798 326 G HN 0.704 nan 8.290 nan 0.000 0.507 327 N N -1.259 117.357 118.700 -0.141 0.000 2.409 327 N HA 0.109 4.848 4.740 -0.001 0.000 0.179 327 N C 0.347 175.701 175.510 -0.259 0.000 1.032 327 N CA 0.135 53.036 53.050 -0.247 0.000 0.898 327 N CB 0.038 38.287 38.487 -0.397 0.000 0.971 327 N HN 0.404 nan 8.380 nan 0.000 0.441 328 F N 1.129 121.096 119.950 0.027 0.000 2.375 328 F HA 0.173 4.700 4.527 -0.001 0.000 0.333 328 F C 1.274 177.087 175.800 0.023 0.000 1.104 328 F CA -1.299 56.721 58.000 0.034 0.000 1.149 328 F CB 0.766 39.795 39.000 0.048 0.000 1.190 328 F HN -0.128 nan 8.300 nan 0.000 0.533 329 S N 2.224 118.058 115.700 0.224 0.000 2.626 329 S HA 0.140 4.610 4.470 -0.001 0.000 0.257 329 S C 1.153 175.822 174.600 0.114 0.000 1.288 329 S CA -0.707 57.565 58.200 0.121 0.000 0.980 329 S CB 0.519 63.770 63.200 0.084 0.000 0.975 329 S HN 0.725 nan 8.310 nan 0.000 0.577 330 M N 1.862 121.498 119.600 0.060 0.000 2.065 330 M HA 0.077 4.556 4.480 -0.001 0.000 0.259 330 M C 2.019 178.351 176.300 0.053 0.000 1.069 330 M CA 2.257 57.580 55.300 0.039 0.000 1.110 330 M CB -1.739 30.865 32.600 0.008 0.000 1.328 330 M HN 0.925 nan 8.290 nan 0.000 0.405 331 G N -0.139 108.694 108.800 0.056 0.000 2.587 331 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.217 331 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.217 331 G C 1.489 176.453 174.900 0.106 0.000 1.240 331 G CA 1.421 46.561 45.100 0.066 0.000 0.794 331 G HN 0.508 nan 8.290 nan 0.000 0.580 332 M N 0.394 120.062 119.600 0.113 0.000 2.255 332 M HA 0.007 4.486 4.480 -0.001 0.000 0.259 332 M C 2.292 178.614 176.300 0.037 0.000 1.071 332 M CA 1.149 56.532 55.300 0.138 0.000 1.074 332 M CB -0.351 32.363 32.600 0.190 0.000 1.384 332 M HN 0.243 nan 8.290 nan 0.000 0.415 333 L N -1.890 119.350 121.223 0.028 0.000 2.023 333 L HA -0.181 4.158 4.340 -0.001 0.000 0.205 333 L C 2.218 179.089 176.870 0.001 0.000 1.073 333 L CA 1.009 55.821 54.840 -0.046 0.000 0.745 333 L CB -0.769 41.294 42.059 0.006 0.000 0.900 333 L HN 0.124 nan 8.230 nan 0.000 0.435 334 V N -0.187 119.764 119.914 0.063 0.000 2.295 334 V HA -0.336 3.783 4.120 -0.001 0.000 0.246 334 V C 2.199 178.387 176.094 0.156 0.000 1.049 334 V CA 1.987 64.356 62.300 0.115 0.000 1.024 334 V CB -0.686 31.200 31.823 0.105 0.000 0.648 334 V HN 0.362 nan 8.190 nan 0.000 0.447 335 F N 0.966 120.930 119.950 0.023 0.000 2.027 335 F HA -0.293 4.233 4.527 -0.002 0.000 0.297 335 F C 2.255 178.062 175.800 0.010 0.000 1.129 335 F CA 2.336 60.345 58.000 0.014 0.000 1.195 335 F CB -0.332 38.666 39.000 -0.003 0.000 0.960 335 F HN 0.042 nan 8.300 nan 0.000 0.485 336 I N -0.451 119.959 120.570 -0.267 0.000 2.236 336 I HA -0.343 3.826 4.170 -0.001 0.000 0.249 336 I C 2.297 178.295 176.117 -0.198 0.000 1.102 336 I CA 1.510 62.581 61.300 -0.381 0.000 1.365 336 I CB -0.661 37.162 38.000 -0.296 0.000 1.051 336 I HN 0.301 nan 8.210 nan 0.000 0.420 337 F N 1.258 121.066 119.950 -0.237 0.000 2.074 337 F HA -0.145 4.382 4.527 -0.001 0.000 0.293 337 F C 2.372 178.096 175.800 -0.127 0.000 1.116 337 F CA 1.413 59.305 58.000 -0.179 0.000 1.212 337 F CB -0.768 38.130 39.000 -0.170 0.000 0.998 337 F HN -0.239 nan 8.300 nan 0.000 0.471 338 V N 1.151 120.951 119.914 -0.191 0.000 2.220 338 V HA -0.413 3.706 4.120 -0.001 0.000 0.250 338 V C 2.801 178.774 176.094 -0.201 0.000 1.056 338 V CA 2.472 64.656 62.300 -0.192 0.000 1.016 338 V CB -1.848 29.953 31.823 -0.037 0.000 0.639 338 V HN 0.502 nan 8.190 nan 0.000 0.446 339 A N -0.407 122.224 122.820 -0.315 0.000 1.927 339 A HA -0.306 4.013 4.320 -0.001 0.000 0.220 339 A C 2.349 179.819 177.584 -0.190 0.000 1.185 339 A CA 2.434 54.267 52.037 -0.339 0.000 0.639 339 A CB -0.575 17.975 19.000 -0.750 0.000 0.820 339 A HN 0.580 nan 8.150 nan 0.000 0.451 340 R N -1.017 119.370 120.500 -0.188 0.000 2.127 340 R HA 0.024 4.363 4.340 -0.001 0.000 0.217 340 R C 1.996 178.282 176.300 -0.023 0.000 1.074 340 R CA 1.053 57.103 56.100 -0.084 0.000 0.991 340 R CB -0.382 29.883 30.300 -0.058 0.000 0.895 340 R HN 0.434 nan 8.270 nan 0.000 0.450 341 V N 1.611 121.461 119.914 -0.106 0.000 2.332 341 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 341 V C 2.244 178.466 176.094 0.213 0.000 1.055 341 V CA 1.714 64.065 62.300 0.084 0.000 1.038 341 V CB -0.436 31.389 31.823 0.003 0.000 0.651 341 V HN 0.217 nan 8.190 nan 0.000 0.450 342 I N 1.062 121.686 120.570 0.090 0.000 2.060 342 I HA -0.250 3.919 4.170 -0.001 0.000 0.233 342 I C 2.848 179.025 176.117 0.099 0.000 1.054 342 I CA 2.210 63.559 61.300 0.081 0.000 1.318 342 I CB -1.050 36.967 38.000 0.028 0.000 1.054 342 I HN 0.460 nan 8.210 nan 0.000 0.395 343 T N -2.271 112.326 114.554 0.072 0.000 2.869 343 T HA -0.179 4.170 4.350 -0.001 0.000 0.270 343 T C 1.657 176.437 174.700 0.132 0.000 1.082 343 T CA 1.952 64.104 62.100 0.087 0.000 1.123 343 T CB -0.874 68.028 68.868 0.058 0.000 0.856 343 T HN 0.298 nan 8.240 nan 0.000 0.499 344 T N 1.686 116.340 114.554 0.167 0.000 2.851 344 T HA 0.263 4.613 4.350 -0.001 0.000 0.262 344 T C 1.891 176.750 174.700 0.265 0.000 1.043 344 T CA 0.615 62.852 62.100 0.227 0.000 1.140 344 T CB -0.325 68.722 68.868 0.299 0.000 0.872 344 T HN 0.278 nan 8.240 nan 0.000 0.446 345 L N 0.465 121.826 121.223 0.231 0.000 1.970 345 L HA -0.120 4.219 4.340 -0.001 0.000 0.212 345 L C 2.417 179.388 176.870 0.168 0.000 1.071 345 L CA 1.067 56.004 54.840 0.162 0.000 0.751 345 L CB -0.646 41.480 42.059 0.113 0.000 0.889 345 L HN 0.213 nan 8.230 nan 0.000 0.432 346 L N -0.436 120.873 121.223 0.143 0.000 1.978 346 L HA -0.304 4.035 4.340 -0.001 0.000 0.218 346 L C 2.664 179.651 176.870 0.195 0.000 1.075 346 L CA 1.882 56.807 54.840 0.141 0.000 0.767 346 L CB -1.162 40.966 42.059 0.116 0.000 0.890 346 L HN 0.375 nan 8.230 nan 0.000 0.434 347 C N -1.863 117.566 119.300 0.215 0.000 2.432 347 C HA -0.145 4.314 4.460 -0.001 0.000 0.280 347 C C 2.627 177.795 174.990 0.297 0.000 1.353 347 C CA 0.158 59.324 59.018 0.245 0.000 1.766 347 C CB -0.988 26.880 27.740 0.213 0.000 1.924 347 C HN 0.524 nan 8.230 nan 0.000 0.509 348 F N 1.661 121.691 119.950 0.132 0.000 2.274 348 F HA 0.040 4.566 4.527 -0.001 0.000 0.288 348 F C 2.460 178.339 175.800 0.131 0.000 1.069 348 F CA 1.527 59.600 58.000 0.121 0.000 1.343 348 F CB -0.644 38.427 39.000 0.118 0.000 1.089 348 F HN 0.001 nan 8.300 nan 0.000 0.517 349 S N -0.208 115.551 115.700 0.098 0.000 2.419 349 S HA -0.177 4.292 4.470 -0.001 0.000 0.233 349 S C 1.987 176.634 174.600 0.080 0.000 1.016 349 S CA 1.187 59.394 58.200 0.012 0.000 0.974 349 S CB -0.843 62.398 63.200 0.068 0.000 0.786 349 S HN 0.519 nan 8.310 nan 0.000 0.492 350 S N 1.179 116.986 115.700 0.179 0.000 2.641 350 S HA 0.118 4.587 4.470 -0.001 0.000 0.239 350 S C 1.635 176.532 174.600 0.495 0.000 0.972 350 S CA 0.842 59.258 58.200 0.360 0.000 0.954 350 S CB -1.058 62.402 63.200 0.434 0.000 0.767 350 S HN 0.753 nan 8.310 nan 0.000 0.539 351 G N 0.657 109.589 108.800 0.219 0.000 2.216 351 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.269 351 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.269 351 G C 0.432 175.286 174.900 -0.076 0.000 0.981 351 G CA 0.382 45.558 45.100 0.127 0.000 0.658 351 G HN 1.573 nan 8.290 nan 0.000 0.539 352 A N 1.246 123.968 122.820 -0.162 0.000 2.561 352 A HA 0.497 4.816 4.320 -0.001 0.000 0.234 352 A C -1.008 176.423 177.584 -0.255 0.000 1.055 352 A CA 0.155 51.851 52.037 -0.568 0.000 0.756 352 A CB 0.199 18.845 19.000 -0.590 0.000 0.986 352 A HN 0.355 nan 8.150 nan 0.000 0.505 353 P HA 0.446 nan 4.420 nan 0.000 0.276 353 P C 0.057 177.363 177.300 0.009 0.000 1.243 353 P CA 0.648 63.694 63.100 -0.089 0.000 0.768 353 P CB 0.931 32.579 31.700 -0.086 0.000 0.856 354 G N 1.676 110.523 108.800 0.079 0.000 2.282 354 G HA2 0.413 4.373 3.960 -0.001 0.000 0.274 354 G HA3 0.413 4.373 3.960 -0.001 0.000 0.274 354 G C -0.376 174.651 174.900 0.213 0.000 1.718 354 G CA -0.372 44.801 45.100 0.121 0.000 0.927 354 G HN 0.581 nan 8.290 nan 0.000 0.733 355 G N -0.444 108.421 108.800 0.108 0.000 2.634 355 G HA2 0.508 4.468 3.960 -0.001 0.000 0.255 355 G HA3 0.508 4.468 3.960 -0.001 0.000 0.255 355 G C 0.816 175.698 174.900 -0.030 0.000 1.205 355 G CA -0.137 45.009 45.100 0.077 0.000 0.884 355 G HN 1.132 nan 8.290 nan 0.000 0.549 356 I N -0.193 120.246 120.570 -0.218 0.000 4.154 356 I HA 0.226 4.395 4.170 -0.001 0.000 0.334 356 I C 1.487 177.560 176.117 -0.072 0.000 1.371 356 I CA -0.403 60.697 61.300 -0.333 0.000 1.110 356 I CB 0.039 37.491 38.000 -0.913 0.000 1.085 356 I HN 0.555 nan 8.210 nan 0.000 0.398 357 F N 1.974 121.852 119.950 -0.119 0.000 2.025 357 F HA -0.313 4.213 4.527 -0.002 0.000 0.297 357 F C 2.584 178.381 175.800 -0.005 0.000 1.132 357 F CA 2.653 60.636 58.000 -0.029 0.000 1.191 357 F CB -0.422 38.608 39.000 0.048 0.000 0.963 357 F HN 0.148 nan 8.300 nan 0.000 0.481 358 A N 0.247 123.248 122.820 0.301 0.000 1.859 358 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 358 A C -0.232 177.297 177.584 -0.092 0.000 1.198 358 A CA 2.305 54.359 52.037 0.029 0.000 0.629 358 A CB -2.279 16.618 19.000 -0.171 0.000 0.830 358 A HN 0.324 nan 8.150 nan 0.000 0.446 359 P HA -0.135 nan 4.420 nan 0.000 0.221 359 P C 1.518 178.791 177.300 -0.045 0.000 1.145 359 P CA 1.292 64.367 63.100 -0.041 0.000 0.795 359 P CB -0.187 31.515 31.700 0.003 0.000 0.775 360 M N -1.944 117.609 119.600 -0.078 0.000 2.254 360 M HA -0.070 4.409 4.480 -0.001 0.000 0.265 360 M C 1.994 178.236 176.300 -0.096 0.000 1.066 360 M CA 1.400 56.626 55.300 -0.123 0.000 1.123 360 M CB -0.696 31.794 32.600 -0.182 0.000 1.388 360 M HN -0.058 nan 8.290 nan 0.000 0.425 361 L N 0.034 121.199 121.223 -0.097 0.000 1.970 361 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 361 L C 2.838 179.713 176.870 0.008 0.000 1.071 361 L CA 1.496 56.298 54.840 -0.063 0.000 0.751 361 L CB -0.957 41.093 42.059 -0.015 0.000 0.889 361 L HN 0.294 nan 8.230 nan 0.000 0.432 362 A N -0.133 122.707 122.820 0.034 0.000 1.997 362 A HA -0.228 4.091 4.320 -0.001 0.000 0.221 362 A C 2.241 179.857 177.584 0.054 0.000 1.172 362 A CA 1.855 53.927 52.037 0.060 0.000 0.645 362 A CB -0.798 18.229 19.000 0.046 0.000 0.813 362 A HN 0.420 nan 8.150 nan 0.000 0.454 363 L N -1.340 119.908 121.223 0.043 0.000 2.095 363 L HA -0.025 4.314 4.340 -0.001 0.000 0.204 363 L C 2.863 179.776 176.870 0.071 0.000 1.080 363 L CA 0.875 55.778 54.840 0.104 0.000 0.759 363 L CB -0.785 41.321 42.059 0.079 0.000 0.914 363 L HN 0.475 nan 8.230 nan 0.000 0.439 364 G N -0.529 108.343 108.800 0.120 0.000 2.421 364 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.216 364 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.216 364 G C 1.509 176.512 174.900 0.172 0.000 1.171 364 G CA 1.294 46.558 45.100 0.273 0.000 0.775 364 G HN 0.241 nan 8.290 nan 0.000 0.543 365 T N 1.044 115.637 114.554 0.065 0.000 2.516 365 T HA -0.205 4.144 4.350 -0.001 0.000 0.261 365 T C 2.478 177.201 174.700 0.039 0.000 1.130 365 T CA 1.972 64.107 62.100 0.059 0.000 1.193 365 T CB -0.741 68.168 68.868 0.069 0.000 0.864 365 T HN 0.013 nan 8.240 nan 0.000 0.410 366 V N 1.603 121.520 119.914 0.005 0.000 2.313 366 V HA -0.198 3.921 4.120 -0.001 0.000 0.253 366 V C 2.445 178.408 176.094 -0.218 0.000 1.070 366 V CA 1.889 64.148 62.300 -0.068 0.000 1.057 366 V CB -0.824 30.950 31.823 -0.083 0.000 0.653 366 V HN 0.322 nan 8.190 nan 0.000 0.450 367 L N 1.014 122.011 121.223 -0.377 0.000 1.994 367 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 367 L C 2.401 179.156 176.870 -0.191 0.000 1.071 367 L CA 2.505 56.984 54.840 -0.603 0.000 0.745 367 L CB -1.474 40.014 42.059 -0.952 0.000 0.892 367 L HN 0.271 nan 8.230 nan 0.000 0.431 368 G N -1.455 107.373 108.800 0.046 0.000 2.586 368 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.218 368 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.218 368 G C 1.410 176.417 174.900 0.178 0.000 1.216 368 G CA 1.709 46.918 45.100 0.181 0.000 0.786 368 G HN 0.451 nan 8.290 nan 0.000 0.583 369 T N 1.952 116.577 114.554 0.119 0.000 2.565 369 T HA -0.215 4.134 4.350 -0.001 0.000 0.265 369 T C 2.762 177.485 174.700 0.038 0.000 1.082 369 T CA 2.679 64.842 62.100 0.104 0.000 1.173 369 T CB -0.882 68.047 68.868 0.101 0.000 0.864 369 T HN 0.518 nan 8.240 nan 0.000 0.425 370 A N 1.066 123.876 122.820 -0.016 0.000 1.903 370 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 370 A C 2.070 179.600 177.584 -0.089 0.000 1.191 370 A CA 2.257 54.255 52.037 -0.064 0.000 0.638 370 A CB -1.204 17.721 19.000 -0.125 0.000 0.823 370 A HN 0.521 nan 8.150 nan 0.000 0.451 371 F N 1.020 120.845 119.950 -0.208 0.000 2.134 371 F HA -0.022 4.504 4.527 -0.002 0.000 0.299 371 F C 2.273 177.822 175.800 -0.419 0.000 1.097 371 F CA 1.436 59.266 58.000 -0.284 0.000 1.264 371 F CB -0.823 38.017 39.000 -0.268 0.000 1.001 371 F HN 0.215 nan 8.300 nan 0.000 0.479 372 G N 1.022 109.612 108.800 -0.350 0.000 2.587 372 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.217 372 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.217 372 G C 1.677 176.357 174.900 -0.366 0.000 1.240 372 G CA 1.385 46.202 45.100 -0.471 0.000 0.794 372 G HN 0.370 nan 8.290 nan 0.000 0.580 373 M N -0.023 119.472 119.600 -0.174 0.000 2.168 373 M HA -0.225 4.254 4.480 -0.001 0.000 0.248 373 M C 2.620 178.789 176.300 -0.217 0.000 1.086 373 M CA 1.656 56.873 55.300 -0.139 0.000 1.070 373 M CB -1.034 31.514 32.600 -0.085 0.000 1.332 373 M HN 0.177 nan 8.290 nan 0.000 0.399 374 V N -0.165 119.553 119.914 -0.328 0.000 2.453 374 V HA -0.179 3.940 4.120 -0.001 0.000 0.247 374 V C 2.685 178.552 176.094 -0.378 0.000 1.048 374 V CA 1.780 63.876 62.300 -0.340 0.000 1.049 374 V CB -1.255 30.337 31.823 -0.385 0.000 0.672 374 V HN 0.537 nan 8.190 nan 0.000 0.457 375 A N 0.007 122.524 122.820 -0.506 0.000 1.873 375 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 375 A C 2.407 179.945 177.584 -0.077 0.000 1.186 375 A CA 1.832 53.677 52.037 -0.320 0.000 0.616 375 A CB -0.791 17.818 19.000 -0.652 0.000 0.823 375 A HN 0.287 nan 8.150 nan 0.000 0.442 376 V N 1.006 120.853 119.914 -0.111 0.000 2.313 376 V HA -0.358 3.761 4.120 -0.001 0.000 0.253 376 V C 2.527 178.571 176.094 -0.084 0.000 1.070 376 V CA 2.733 65.013 62.300 -0.034 0.000 1.057 376 V CB -0.806 30.993 31.823 -0.040 0.000 0.653 376 V HN 0.956 nan 8.190 nan 0.000 0.450 377 E N -1.006 119.097 120.200 -0.162 0.000 2.389 377 E HA 0.036 4.385 4.350 -0.001 0.000 0.199 377 E C 2.010 178.431 176.600 -0.299 0.000 0.978 377 E CA 0.175 56.463 56.400 -0.186 0.000 0.912 377 E CB -0.196 29.412 29.700 -0.153 0.000 0.907 377 E HN 0.513 nan 8.360 nan 0.000 0.494 378 L N 0.015 120.960 121.223 -0.463 0.000 2.141 378 L HA 0.030 4.369 4.340 -0.001 0.000 0.209 378 L C 0.247 176.384 176.870 -1.221 0.000 1.094 378 L CA 0.945 55.234 54.840 -0.919 0.000 0.763 378 L CB -0.033 41.238 42.059 -1.312 0.000 0.908 378 L HN 0.137 nan 8.230 nan 0.000 0.437 379 F N -1.083 118.785 119.950 -0.138 0.000 2.809 379 F HA 0.298 4.824 4.527 -0.001 0.000 0.369 379 F C -1.728 173.961 175.800 -0.184 0.000 1.225 379 F CA -1.617 56.253 58.000 -0.217 0.000 1.201 379 F CB 0.531 39.347 39.000 -0.307 0.000 1.527 379 F HN -0.223 nan 8.300 nan 0.000 0.565 380 P HA -0.199 nan 4.420 nan 0.000 0.223 380 P C 1.235 178.400 177.300 -0.225 0.000 1.151 380 P CA 1.174 64.194 63.100 -0.133 0.000 0.787 380 P CB 0.276 31.894 31.700 -0.137 0.000 0.788 381 Q N -0.575 119.132 119.800 -0.155 0.000 2.439 381 Q HA -0.158 4.181 4.340 -0.001 0.000 0.211 381 Q C 1.338 177.426 176.000 0.147 0.000 0.978 381 Q CA 1.326 57.074 55.803 -0.091 0.000 0.897 381 Q CB -1.242 27.443 28.738 -0.088 0.000 0.956 381 Q HN 0.445 nan 8.270 nan 0.000 0.483 382 Y N -0.139 120.241 120.300 0.134 0.000 2.462 382 Y HA 0.060 4.609 4.550 -0.001 0.000 0.261 382 Y C -0.074 175.997 175.900 0.285 0.000 1.146 382 Y CA -0.295 57.940 58.100 0.225 0.000 1.283 382 Y CB 0.166 38.731 38.460 0.174 0.000 1.090 382 Y HN 0.280 nan 8.280 nan 0.000 0.526 383 H N -0.587 118.623 119.070 0.234 0.000 2.776 383 H HA -0.189 4.366 4.556 -0.001 0.000 0.300 383 H C -0.116 175.304 175.328 0.154 0.000 1.161 383 H CA 0.274 56.413 56.048 0.152 0.000 1.147 383 H CB -2.295 27.537 29.762 0.116 0.000 1.366 383 H HN 0.260 nan 8.280 nan 0.000 0.397 384 L N 0.238 121.619 121.223 0.263 0.000 2.483 384 L HA 0.093 4.433 4.340 -0.001 0.000 0.275 384 L C 1.084 178.066 176.870 0.188 0.000 1.220 384 L CA 0.709 55.702 54.840 0.255 0.000 0.833 384 L CB 0.441 42.700 42.059 0.333 0.000 1.102 384 L HN 0.404 nan 8.230 nan 0.000 0.490 385 E N 0.391 120.698 120.200 0.178 0.000 2.176 385 E HA 0.361 4.710 4.350 -0.001 0.000 0.267 385 E C 0.302 177.023 176.600 0.201 0.000 0.893 385 E CA -0.343 56.140 56.400 0.138 0.000 0.761 385 E CB 1.926 31.679 29.700 0.089 0.000 1.133 385 E HN 0.675 nan 8.360 nan 0.000 0.409 386 A N 3.807 126.733 122.820 0.176 0.000 1.917 386 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 386 A C 1.933 179.663 177.584 0.243 0.000 1.182 386 A CA 1.969 54.141 52.037 0.224 0.000 0.633 386 A CB -1.093 17.969 19.000 0.102 0.000 0.819 386 A HN 0.819 nan 8.150 nan 0.000 0.448 387 G N -0.667 108.216 108.800 0.137 0.000 2.549 387 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.222 387 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.222 387 G C 1.533 176.474 174.900 0.068 0.000 1.100 387 G CA 1.992 47.148 45.100 0.093 0.000 0.739 387 G HN 0.797 nan 8.290 nan 0.000 0.577 388 T N -2.943 111.635 114.554 0.041 0.000 3.067 388 T HA 0.169 4.518 4.350 -0.001 0.000 0.257 388 T C 1.918 176.550 174.700 -0.114 0.000 1.105 388 T CA 0.229 62.281 62.100 -0.081 0.000 1.104 388 T CB -0.266 68.513 68.868 -0.149 0.000 0.925 388 T HN 0.188 nan 8.240 nan 0.000 0.498 389 F N 1.781 121.802 119.950 0.120 0.000 2.335 389 F HA 0.425 4.951 4.527 -0.001 0.000 0.296 389 F C 2.853 178.701 175.800 0.079 0.000 1.091 389 F CA 0.294 58.347 58.000 0.089 0.000 1.399 389 F CB -0.625 38.404 39.000 0.048 0.000 1.067 389 F HN 0.216 nan 8.300 nan 0.000 0.520 390 A N 0.931 123.885 122.820 0.223 0.000 1.859 390 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 390 A C 2.181 179.801 177.584 0.060 0.000 1.198 390 A CA 2.041 54.154 52.037 0.128 0.000 0.629 390 A CB -1.218 17.843 19.000 0.102 0.000 0.830 390 A HN 0.373 nan 8.150 nan 0.000 0.446 391 I N -0.403 120.182 120.570 0.025 0.000 2.454 391 I HA -0.254 3.916 4.170 -0.001 0.000 0.254 391 I C 2.807 178.887 176.117 -0.063 0.000 1.156 391 I CA 0.852 62.132 61.300 -0.033 0.000 1.433 391 I CB -0.171 37.797 38.000 -0.054 0.000 1.082 391 I HN 0.395 nan 8.210 nan 0.000 0.432 392 A N 0.354 123.166 122.820 -0.015 0.000 1.929 392 A HA -0.025 4.295 4.320 -0.001 0.000 0.216 392 A C 2.364 179.856 177.584 -0.153 0.000 1.176 392 A CA 1.643 53.661 52.037 -0.031 0.000 0.628 392 A CB -0.985 18.131 19.000 0.193 0.000 0.816 392 A HN 0.436 nan 8.150 nan 0.000 0.444 393 G N -1.088 107.642 108.800 -0.117 0.000 2.595 393 G HA2 0.004 3.963 3.960 -0.001 0.000 0.213 393 G HA3 0.004 3.963 3.960 -0.001 0.000 0.213 393 G C 1.495 176.197 174.900 -0.331 0.000 1.141 393 G CA 0.755 45.659 45.100 -0.327 0.000 0.806 393 G HN 0.464 nan 8.290 nan 0.000 0.530 394 M N 1.214 120.729 119.600 -0.141 0.000 2.146 394 M HA -0.081 4.399 4.480 -0.001 0.000 0.256 394 M C 2.057 178.237 176.300 -0.200 0.000 1.075 394 M CA 2.227 57.459 55.300 -0.114 0.000 1.082 394 M CB -0.123 32.430 32.600 -0.078 0.000 1.355 394 M HN 0.148 nan 8.290 nan 0.000 0.402 395 G N -1.808 106.825 108.800 -0.278 0.000 3.159 395 G HA2 0.385 4.344 3.960 -0.001 0.000 0.232 395 G HA3 0.385 4.344 3.960 -0.001 0.000 0.232 395 G C 1.220 175.884 174.900 -0.393 0.000 1.116 395 G CA 0.377 45.298 45.100 -0.298 0.000 0.767 395 G HN 0.595 nan 8.290 nan 0.000 0.547 396 A N 0.383 122.813 122.820 -0.651 0.000 2.014 396 A HA 0.215 4.535 4.320 -0.001 0.000 0.218 396 A C 2.132 179.360 177.584 -0.593 0.000 1.163 396 A CA 0.608 52.098 52.037 -0.912 0.000 0.652 396 A CB -0.198 17.634 19.000 -1.946 0.000 0.808 396 A HN 0.356 nan 8.150 nan 0.000 0.449 397 L N -0.561 120.473 121.223 -0.315 0.000 2.007 397 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 397 L C 2.420 179.235 176.870 -0.092 0.000 1.073 397 L CA 1.231 56.109 54.840 0.065 0.000 0.744 397 L CB -0.496 41.632 42.059 0.115 0.000 0.898 397 L HN 0.385 nan 8.230 nan 0.000 0.435 398 L N -0.068 121.019 121.223 -0.225 0.000 2.171 398 L HA -0.308 4.031 4.340 -0.001 0.000 0.216 398 L C 2.614 179.367 176.870 -0.194 0.000 1.084 398 L CA 1.602 56.254 54.840 -0.314 0.000 0.771 398 L CB -0.597 41.182 42.059 -0.468 0.000 0.890 398 L HN 0.382 nan 8.230 nan 0.000 0.437 399 A N -1.120 121.594 122.820 -0.177 0.000 1.975 399 A HA 0.118 4.437 4.320 -0.001 0.000 0.215 399 A C 2.328 179.870 177.584 -0.070 0.000 1.170 399 A CA 1.098 53.059 52.037 -0.127 0.000 0.656 399 A CB -0.299 18.602 19.000 -0.164 0.000 0.821 399 A HN 0.389 nan 8.150 nan 0.000 0.449 400 A N -1.530 121.270 122.820 -0.032 0.000 2.081 400 A HA 0.274 4.593 4.320 -0.001 0.000 0.214 400 A C 2.127 179.727 177.584 0.025 0.000 1.158 400 A CA 1.578 53.627 52.037 0.020 0.000 0.724 400 A CB -0.136 18.929 19.000 0.109 0.000 0.826 400 A HN 0.375 nan 8.150 nan 0.000 0.463 401 S N -1.090 114.625 115.700 0.024 0.000 2.811 401 S HA 0.167 4.636 4.470 -0.001 0.000 0.237 401 S C 1.602 176.228 174.600 0.043 0.000 1.038 401 S CA 0.464 58.694 58.200 0.051 0.000 0.881 401 S CB -0.170 63.094 63.200 0.105 0.000 0.815 401 S HN 0.597 nan 8.310 nan 0.000 0.582 402 I N 1.195 121.775 120.570 0.015 0.000 3.564 402 I HA 0.123 4.292 4.170 -0.001 0.000 0.294 402 I C -0.246 175.905 176.117 0.057 0.000 1.289 402 I CA 0.677 62.012 61.300 0.058 0.000 1.325 402 I CB -0.108 37.951 38.000 0.098 0.000 1.039 402 I HN 0.140 nan 8.210 nan 0.000 0.474 403 R N 0.720 121.229 120.500 0.014 0.000 3.758 403 R HA -0.175 4.164 4.340 -0.001 0.000 0.299 403 R C 0.228 176.538 176.300 0.018 0.000 1.182 403 R CA 0.840 56.942 56.100 0.003 0.000 0.809 403 R CB -2.822 27.480 30.300 0.003 0.000 1.249 403 R HN 0.597 nan 8.270 nan 0.000 0.497 404 A N 0.316 123.163 122.820 0.046 0.000 3.150 404 A HA 0.445 4.764 4.320 -0.001 0.000 0.328 404 A C -0.985 176.625 177.584 0.043 0.000 1.104 404 A CA -1.087 51.002 52.037 0.087 0.000 0.937 404 A CB 0.686 19.837 19.000 0.251 0.000 1.073 404 A HN -0.035 nan 8.150 nan 0.000 0.497 405 P HA -0.214 nan 4.420 nan 0.000 0.213 405 P C 1.727 179.004 177.300 -0.038 0.000 1.170 405 P CA 0.803 63.871 63.100 -0.054 0.000 0.898 405 P CB 0.144 31.806 31.700 -0.064 0.000 0.787 406 L N -0.011 121.202 121.223 -0.017 0.000 2.054 406 L HA -0.219 4.120 4.340 -0.001 0.000 0.220 406 L C 2.289 179.163 176.870 0.007 0.000 1.081 406 L CA 2.635 57.471 54.840 -0.006 0.000 0.780 406 L CB -1.886 40.176 42.059 0.006 0.000 0.893 406 L HN -0.007 nan 8.230 nan 0.000 0.438 407 T N -0.912 113.671 114.554 0.048 0.000 2.821 407 T HA -0.055 4.295 4.350 -0.001 0.000 0.267 407 T C 1.640 176.338 174.700 -0.003 0.000 1.046 407 T CA 1.110 63.252 62.100 0.069 0.000 1.139 407 T CB -0.752 68.247 68.868 0.218 0.000 0.871 407 T HN 0.619 nan 8.240 nan 0.000 0.454 408 G N 1.401 110.171 108.800 -0.049 0.000 2.414 408 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.215 408 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.215 408 G C 1.522 176.350 174.900 -0.121 0.000 1.188 408 G CA 0.359 45.385 45.100 -0.124 0.000 0.783 408 G HN 0.448 nan 8.290 nan 0.000 0.537 409 I N 0.749 121.256 120.570 -0.106 0.000 2.068 409 I HA -0.261 3.908 4.170 -0.001 0.000 0.238 409 I C 2.718 178.791 176.117 -0.074 0.000 1.046 409 I CA 1.404 62.645 61.300 -0.099 0.000 1.306 409 I CB -0.329 37.620 38.000 -0.084 0.000 1.023 409 I HN 0.139 nan 8.210 nan 0.000 0.399 410 I N -0.008 120.533 120.570 -0.048 0.000 2.454 410 I HA -0.280 3.889 4.170 -0.001 0.000 0.254 410 I C 2.427 178.512 176.117 -0.053 0.000 1.156 410 I CA 0.840 62.119 61.300 -0.035 0.000 1.433 410 I CB -0.228 37.759 38.000 -0.020 0.000 1.082 410 I HN 0.277 nan 8.210 nan 0.000 0.432 411 L N 0.437 121.618 121.223 -0.070 0.000 2.005 411 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 411 L C 2.472 179.263 176.870 -0.133 0.000 1.072 411 L CA 1.810 56.591 54.840 -0.098 0.000 0.744 411 L CB -0.504 41.491 42.059 -0.106 0.000 0.895 411 L HN -0.029 nan 8.230 nan 0.000 0.433 412 V N -0.275 119.555 119.914 -0.140 0.000 2.282 412 V HA -0.315 3.804 4.120 -0.001 0.000 0.249 412 V C 2.537 178.574 176.094 -0.095 0.000 1.057 412 V CA 1.820 64.041 62.300 -0.133 0.000 1.032 412 V CB -0.991 30.751 31.823 -0.135 0.000 0.645 412 V HN 0.534 nan 8.190 nan 0.000 0.447 413 L N 0.973 122.155 121.223 -0.069 0.000 1.965 413 L HA -0.283 4.057 4.340 -0.001 0.000 0.226 413 L C 2.504 179.354 176.870 -0.032 0.000 1.083 413 L CA 2.329 57.152 54.840 -0.028 0.000 0.790 413 L CB -0.973 41.095 42.059 0.015 0.000 0.898 413 L HN 0.456 nan 8.230 nan 0.000 0.439 414 E N -1.362 118.812 120.200 -0.043 0.000 2.401 414 E HA -0.220 4.129 4.350 -0.001 0.000 0.199 414 E C 1.979 178.546 176.600 -0.055 0.000 1.023 414 E CA 1.098 57.472 56.400 -0.043 0.000 0.859 414 E CB -0.193 29.480 29.700 -0.045 0.000 0.780 414 E HN 0.606 nan 8.360 nan 0.000 0.523 415 M N -0.448 119.103 119.600 -0.081 0.000 2.567 415 M HA -0.011 4.468 4.480 -0.001 0.000 0.261 415 M C 2.013 178.253 176.300 -0.099 0.000 1.180 415 M CA 1.040 56.275 55.300 -0.110 0.000 1.143 415 M CB 0.544 33.039 32.600 -0.175 0.000 1.319 415 M HN 0.128 nan 8.290 nan 0.000 0.490 416 T N -4.759 109.747 114.554 -0.080 0.000 2.971 416 T HA 0.066 4.415 4.350 -0.001 0.000 0.252 416 T C 0.584 175.260 174.700 -0.039 0.000 1.022 416 T CA 0.097 62.158 62.100 -0.065 0.000 0.980 416 T CB 0.152 68.978 68.868 -0.069 0.000 1.044 416 T HN 0.237 nan 8.240 nan 0.000 0.501 417 D N 2.018 122.403 120.400 -0.025 0.000 2.689 417 D HA -0.158 4.481 4.640 -0.001 0.000 0.237 417 D C -0.769 175.537 176.300 0.009 0.000 1.148 417 D CA 0.387 54.387 54.000 -0.000 0.000 0.656 417 D CB -1.911 38.887 40.800 -0.005 0.000 1.050 417 D HN 0.624 nan 8.370 nan 0.000 0.426 418 N N 0.809 119.508 118.700 -0.002 0.000 2.990 418 N HA 0.017 4.756 4.740 -0.001 0.000 0.288 418 N C 0.564 176.054 175.510 -0.033 0.000 1.624 418 N CA -0.389 52.648 53.050 -0.021 0.000 0.961 418 N CB 0.254 38.706 38.487 -0.057 0.000 1.259 418 N HN 0.244 nan 8.380 nan 0.000 0.489 419 Y N 2.068 122.323 120.300 -0.074 0.000 2.483 419 Y HA -0.186 4.363 4.550 -0.001 0.000 0.291 419 Y C 1.880 177.727 175.900 -0.089 0.000 1.143 419 Y CA 1.653 59.706 58.100 -0.077 0.000 1.289 419 Y CB 0.332 38.756 38.460 -0.061 0.000 0.983 419 Y HN 0.340 nan 8.280 nan 0.000 0.556 420 Q N -0.264 119.399 119.800 -0.228 0.000 2.435 420 Q HA 0.020 4.359 4.340 -0.001 0.000 0.207 420 Q C 1.418 177.209 176.000 -0.348 0.000 0.956 420 Q CA 1.246 56.879 55.803 -0.284 0.000 0.917 420 Q CB -0.399 28.260 28.738 -0.131 0.000 0.997 420 Q HN 0.498 nan 8.270 nan 0.000 0.497 421 L N -0.217 120.806 121.223 -0.333 0.000 2.591 421 L HA 0.093 4.433 4.340 -0.001 0.000 0.228 421 L C 1.441 178.067 176.870 -0.406 0.000 1.133 421 L CA -0.289 54.334 54.840 -0.363 0.000 0.880 421 L CB -0.097 41.790 42.059 -0.286 0.000 1.033 421 L HN 0.198 nan 8.230 nan 0.000 0.450 422 I N 0.320 120.597 120.570 -0.487 0.000 2.236 422 I HA -0.322 3.847 4.170 -0.001 0.000 0.249 422 I C 2.137 178.052 176.117 -0.337 0.000 1.102 422 I CA 1.717 62.753 61.300 -0.440 0.000 1.365 422 I CB -0.056 37.536 38.000 -0.680 0.000 1.051 422 I HN 0.158 nan 8.210 nan 0.000 0.420 423 L N 0.552 121.564 121.223 -0.351 0.000 2.005 423 L HA -0.087 4.252 4.340 -0.001 0.000 0.207 423 L C -0.397 176.272 176.870 -0.335 0.000 1.072 423 L CA 2.205 56.874 54.840 -0.285 0.000 0.744 423 L CB -1.890 40.017 42.059 -0.255 0.000 0.895 423 L HN 0.154 nan 8.230 nan 0.000 0.433 424 P HA -0.165 nan 4.420 nan 0.000 0.216 424 P C 1.943 179.018 177.300 -0.375 0.000 1.150 424 P CA 1.622 64.257 63.100 -0.774 0.000 0.837 424 P CB -0.034 30.643 31.700 -1.706 0.000 0.786 425 M N -1.767 117.643 119.600 -0.317 0.000 2.123 425 M HA -0.090 4.390 4.480 -0.001 0.000 0.263 425 M C 2.150 178.350 176.300 -0.166 0.000 1.069 425 M CA 1.694 56.871 55.300 -0.205 0.000 1.133 425 M CB -0.765 31.716 32.600 -0.198 0.000 1.356 425 M HN -0.126 nan 8.290 nan 0.000 0.415 426 I N 0.248 120.720 120.570 -0.164 0.000 2.335 426 I HA -0.299 3.870 4.170 -0.001 0.000 0.251 426 I C 2.189 178.247 176.117 -0.099 0.000 1.129 426 I CA 1.354 62.583 61.300 -0.120 0.000 1.402 426 I CB -0.263 37.672 38.000 -0.107 0.000 1.069 426 I HN 0.284 nan 8.210 nan 0.000 0.424 427 I N -0.251 120.258 120.570 -0.101 0.000 2.277 427 I HA -0.216 3.953 4.170 -0.001 0.000 0.243 427 I C 2.541 178.637 176.117 -0.035 0.000 1.094 427 I CA 1.229 62.498 61.300 -0.051 0.000 1.393 427 I CB -0.420 37.565 38.000 -0.024 0.000 1.078 427 I HN 0.128 nan 8.210 nan 0.000 0.417 428 T N 0.516 115.049 114.554 -0.035 0.000 2.684 428 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 428 T C 1.894 176.517 174.700 -0.129 0.000 1.036 428 T CA 1.693 63.761 62.100 -0.053 0.000 1.148 428 T CB -0.727 68.108 68.868 -0.056 0.000 0.863 428 T HN 0.580 nan 8.240 nan 0.000 0.436 429 G N 1.157 109.862 108.800 -0.159 0.000 2.476 429 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.218 429 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.218 429 G C 1.528 176.359 174.900 -0.116 0.000 1.164 429 G CA 1.002 45.999 45.100 -0.172 0.000 0.768 429 G HN 0.429 nan 8.290 nan 0.000 0.560 430 L N 1.224 122.397 121.223 -0.085 0.000 2.056 430 L HA 0.217 4.556 4.340 -0.001 0.000 0.207 430 L C 2.776 179.614 176.870 -0.054 0.000 1.078 430 L CA 2.102 56.904 54.840 -0.064 0.000 0.749 430 L CB -0.724 41.307 42.059 -0.046 0.000 0.901 430 L HN 0.171 nan 8.230 nan 0.000 0.433 431 G N -1.638 107.141 108.800 -0.035 0.000 2.598 431 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.215 431 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.215 431 G C 1.462 176.353 174.900 -0.015 0.000 1.131 431 G CA 0.624 45.718 45.100 -0.010 0.000 0.785 431 G HN 0.576 nan 8.290 nan 0.000 0.539 432 A N 0.536 123.334 122.820 -0.037 0.000 1.855 432 A HA 0.075 4.394 4.320 -0.001 0.000 0.213 432 A C 2.457 180.015 177.584 -0.044 0.000 1.195 432 A CA 2.041 54.072 52.037 -0.010 0.000 0.610 432 A CB -0.759 18.221 19.000 -0.034 0.000 0.837 432 A HN 0.212 nan 8.150 nan 0.000 0.444 433 T N 0.653 115.161 114.554 -0.077 0.000 2.929 433 T HA -0.038 4.311 4.350 -0.001 0.000 0.271 433 T C 1.677 176.272 174.700 -0.174 0.000 1.085 433 T CA 1.012 63.051 62.100 -0.102 0.000 1.125 433 T CB -0.240 68.571 68.868 -0.094 0.000 0.874 433 T HN 0.283 nan 8.240 nan 0.000 0.494 434 L N 0.107 121.221 121.223 -0.181 0.000 2.068 434 L HA 0.069 4.408 4.340 -0.001 0.000 0.204 434 L C 2.278 178.890 176.870 -0.429 0.000 1.076 434 L CA 0.897 55.533 54.840 -0.338 0.000 0.753 434 L CB -0.291 41.670 42.059 -0.164 0.000 0.910 434 L HN 0.264 nan 8.230 nan 0.000 0.439 435 L N -0.449 120.686 121.223 -0.147 0.000 2.240 435 L HA -0.029 4.310 4.340 -0.001 0.000 0.211 435 L C 2.679 179.520 176.870 -0.048 0.000 1.106 435 L CA 1.195 56.015 54.840 -0.033 0.000 0.793 435 L CB -1.195 40.900 42.059 0.060 0.000 0.927 435 L HN 0.175 nan 8.230 nan 0.000 0.446 436 A N -0.732 122.045 122.820 -0.071 0.000 2.178 436 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 436 A C 2.234 179.763 177.584 -0.092 0.000 1.157 436 A CA 1.437 53.442 52.037 -0.053 0.000 0.689 436 A CB -0.305 18.675 19.000 -0.033 0.000 0.787 436 A HN 0.545 nan 8.150 nan 0.000 0.465 437 Q N -1.598 118.072 119.800 -0.216 0.000 2.324 437 Q HA 0.048 4.388 4.340 -0.001 0.000 0.207 437 Q C 0.315 176.258 176.000 -0.096 0.000 0.928 437 Q CA 0.394 56.069 55.803 -0.215 0.000 0.890 437 Q CB 0.114 28.640 28.738 -0.352 0.000 1.001 437 Q HN 0.558 nan 8.270 nan 0.000 0.517 438 F N 1.196 121.163 119.950 0.027 0.000 2.695 438 F HA 0.151 4.677 4.527 -0.001 0.000 0.301 438 F C 1.208 177.024 175.800 0.027 0.000 1.182 438 F CA 0.749 58.765 58.000 0.027 0.000 1.412 438 F CB -0.035 38.982 39.000 0.027 0.000 1.056 438 F HN 0.103 nan 8.300 nan 0.000 0.522 439 T N -4.877 109.757 114.554 0.134 0.000 3.111 439 T HA 0.461 4.810 4.350 -0.001 0.000 0.284 439 T C 1.532 176.270 174.700 0.063 0.000 0.983 439 T CA 0.264 62.421 62.100 0.094 0.000 0.900 439 T CB 0.351 69.258 68.868 0.065 0.000 1.132 439 T HN 0.349 nan 8.240 nan 0.000 0.531 440 G N 0.992 109.829 108.800 0.063 0.000 2.179 440 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.260 440 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.260 440 G C 0.714 175.632 174.900 0.029 0.000 0.977 440 G CA -0.045 45.085 45.100 0.050 0.000 0.641 440 G HN 1.069 nan 8.290 nan 0.000 0.533 441 G N -0.489 108.319 108.800 0.014 0.000 2.785 441 G HA2 0.436 4.396 3.960 -0.001 0.000 0.256 441 G HA3 0.436 4.396 3.960 -0.001 0.000 0.256 441 G C 0.071 174.979 174.900 0.013 0.000 1.248 441 G CA 0.791 45.894 45.100 0.005 0.000 0.914 441 G HN 0.713 nan 8.290 nan 0.000 0.580 442 K N -0.216 120.196 120.400 0.020 0.000 2.556 442 K HA 0.308 4.627 4.320 -0.001 0.000 0.274 442 K C -2.862 173.762 176.600 0.040 0.000 0.966 442 K CA -1.737 54.569 56.287 0.032 0.000 0.865 442 K CB 2.547 35.074 32.500 0.045 0.000 1.444 442 K HN 0.090 nan 8.250 nan 0.000 0.433 443 P HA -0.128 nan 4.420 nan 0.000 0.242 443 P C 0.755 178.102 177.300 0.077 0.000 1.116 443 P CA 0.282 63.416 63.100 0.057 0.000 0.954 443 P CB 0.142 31.875 31.700 0.054 0.000 0.908 444 L N 3.504 124.778 121.223 0.085 0.000 2.137 444 L HA -0.288 4.051 4.340 -0.001 0.000 0.213 444 L C 1.829 178.781 176.870 0.136 0.000 1.085 444 L CA 2.498 57.403 54.840 0.108 0.000 0.760 444 L CB -0.948 41.182 42.059 0.119 0.000 0.893 444 L HN 0.298 nan 8.230 nan 0.000 0.434 445 A N -1.328 121.579 122.820 0.144 0.000 1.902 445 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 445 A C 2.438 180.089 177.584 0.111 0.000 1.181 445 A CA 1.978 54.105 52.037 0.151 0.000 0.623 445 A CB -0.573 18.524 19.000 0.162 0.000 0.818 445 A HN 0.505 nan 8.150 nan 0.000 0.443 446 S N -0.697 115.060 115.700 0.094 0.000 2.377 446 S HA 0.121 4.590 4.470 -0.001 0.000 0.223 446 S C 2.294 176.944 174.600 0.083 0.000 1.030 446 S CA 0.829 59.083 58.200 0.089 0.000 0.970 446 S CB -0.355 62.905 63.200 0.100 0.000 0.830 446 S HN 0.773 nan 8.310 nan 0.000 0.473 447 A N 1.427 124.295 122.820 0.080 0.000 1.986 447 A HA -0.104 4.215 4.320 -0.001 0.000 0.220 447 A C 1.962 179.586 177.584 0.067 0.000 1.171 447 A CA 1.263 53.341 52.037 0.067 0.000 0.640 447 A CB -0.680 18.358 19.000 0.063 0.000 0.811 447 A HN 0.527 nan 8.150 nan 0.000 0.451 448 I N -1.474 119.148 120.570 0.085 0.000 2.333 448 I HA -0.145 4.024 4.170 -0.001 0.000 0.246 448 I C 2.346 178.501 176.117 0.063 0.000 1.106 448 I CA 0.772 62.121 61.300 0.082 0.000 1.411 448 I CB -0.191 37.881 38.000 0.121 0.000 1.082 448 I HN 0.343 nan 8.210 nan 0.000 0.420 449 L N 1.248 122.511 121.223 0.066 0.000 2.093 449 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 449 L C 2.601 179.496 176.870 0.042 0.000 1.085 449 L CA 1.907 56.778 54.840 0.053 0.000 0.755 449 L CB -0.749 41.344 42.059 0.057 0.000 0.904 449 L HN 0.169 nan 8.230 nan 0.000 0.435 450 A N -0.408 122.438 122.820 0.044 0.000 1.892 450 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 450 A C 2.342 179.939 177.584 0.021 0.000 1.188 450 A CA 1.759 53.814 52.037 0.031 0.000 0.631 450 A CB -0.537 18.483 19.000 0.034 0.000 0.822 450 A HN 0.403 nan 8.150 nan 0.000 0.447 451 R N -0.736 119.778 120.500 0.025 0.000 2.080 451 R HA -0.106 4.233 4.340 -0.001 0.000 0.236 451 R C 2.315 178.621 176.300 0.010 0.000 1.137 451 R CA 1.929 58.037 56.100 0.014 0.000 0.943 451 R CB -1.727 28.582 30.300 0.016 0.000 0.846 451 R HN 0.580 nan 8.270 nan 0.000 0.431 452 T N 1.974 116.539 114.554 0.018 0.000 2.622 452 T HA -0.121 4.228 4.350 -0.001 0.000 0.266 452 T C 1.852 176.560 174.700 0.013 0.000 1.047 452 T CA 1.183 63.292 62.100 0.016 0.000 1.159 452 T CB -0.228 68.652 68.868 0.021 0.000 0.863 452 T HN -0.017 nan 8.240 nan 0.000 0.422 453 L N 0.789 122.021 121.223 0.015 0.000 2.191 453 L HA 0.063 4.402 4.340 -0.001 0.000 0.212 453 L C 2.554 179.428 176.870 0.006 0.000 1.103 453 L CA 1.319 56.166 54.840 0.012 0.000 0.769 453 L CB -1.064 41.003 42.059 0.014 0.000 0.908 453 L HN 0.247 nan 8.230 nan 0.000 0.438 454 A N -1.347 121.475 122.820 0.004 0.000 1.903 454 A HA -0.142 4.177 4.320 -0.001 0.000 0.213 454 A C 2.219 179.801 177.584 -0.003 0.000 1.185 454 A CA 0.866 52.903 52.037 -0.001 0.000 0.628 454 A CB -0.338 18.661 19.000 -0.002 0.000 0.830 454 A HN 0.277 nan 8.150 nan 0.000 0.446 455 K N -0.304 120.093 120.400 -0.005 0.000 2.589 455 K HA -0.010 4.309 4.320 -0.001 0.000 0.192 455 K C 1.634 178.233 176.600 -0.001 0.000 1.029 455 K CA 0.580 56.861 56.287 -0.009 0.000 1.031 455 K CB -0.062 32.427 32.500 -0.019 0.000 0.821 455 K HN 0.660 nan 8.250 nan 0.000 0.502 456 Q N 0.509 120.311 119.800 0.003 0.000 2.499 456 Q HA -0.043 4.296 4.340 -0.001 0.000 0.213 456 Q C 0.077 176.081 176.000 0.006 0.000 0.929 456 Q CA 0.251 56.058 55.803 0.007 0.000 0.904 456 Q CB 0.427 29.171 28.738 0.010 0.000 1.052 456 Q HN 0.412 nan 8.270 nan 0.000 0.589 457 E N 0.656 120.858 120.200 0.004 0.000 2.515 457 E HA 0.442 4.791 4.350 -0.001 0.000 0.315 457 E C -0.575 176.025 176.600 0.001 0.000 1.523 457 E CA -0.224 56.178 56.400 0.003 0.000 1.704 457 E CB 0.319 30.020 29.700 0.002 0.000 1.395 457 E HN 0.278 nan 8.360 nan 0.000 0.490 458 A N 0.000 122.821 122.820 0.002 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 458 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 458 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486