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 1s3s_1_A DATA FIRST_RESID 23 DATA SEQUENCE PNRLIVDEAI NEDNSVVSLS QPKMDELQLF RGDTVLLKGK KRREAVCIVL DATA SEQUENCE SDDTCSDEKI RMNRVVRNNL RVRLGDVISI QPCPDVKYGK RIHVLPIDDT DATA SEQUENCE VEGITGNLFE VYLKPYFLEA YRPIRKGDIF LVRGGMRAVE FKVVETDPSP DATA SEQUENCE YCIVAPDTVI HCEGEPIKRE DEEESLNEVG YDDVGGCRKQ LAQIKEMVEL DATA SEQUENCE PLRHPALFKA IGVKPPRGIL LYGPPGTGKT LIARAVANET GAFFFLINGP DATA SEQUENCE EIMSKLAGES ESNLRKAFEE AEKNAPAIIF IDELDAIAPK REKTHGEVER DATA SEQUENCE RIVSQLLTLM DGLKQRAHVI VMAATNRPNS IDPALRRFGR FDREVDIGIP DATA SEQUENCE DATGRLEILQ IHTKNMKLAD DVDLEQVANE THGHVGADLA ALCSEAALQA DATA SEQUENCE IRKKMDLIDL EDETIDAEVM NSLAVTMDDF RWALSQ 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 23 P HA 0.000 nan 4.420 nan 0.000 0.216 23 P C 0.000 177.303 177.300 0.006 0.000 1.155 23 P CA 0.000 63.103 63.100 0.005 0.000 0.800 23 P CB 0.000 31.702 31.700 0.004 0.000 0.726 24 N N 0.801 119.506 118.700 0.007 0.000 2.171 24 N HA -0.075 4.666 4.740 0.001 0.000 0.184 24 N C 0.888 176.403 175.510 0.008 0.000 1.021 24 N CA 0.630 53.685 53.050 0.007 0.000 0.854 24 N CB -0.370 38.122 38.487 0.009 0.000 0.994 24 N HN 0.195 nan 8.380 nan 0.000 0.426 25 R N 0.695 121.201 120.500 0.009 0.000 2.486 25 R HA 0.026 4.366 4.340 0.001 0.000 0.304 25 R C -0.225 176.082 176.300 0.011 0.000 0.913 25 R CA 0.482 56.589 56.100 0.011 0.000 1.124 25 R CB 0.032 30.339 30.300 0.011 0.000 0.891 25 R HN 0.301 nan 8.270 nan 0.000 0.410 26 L N 3.456 124.687 121.223 0.014 0.000 2.230 26 L HA 0.568 4.909 4.340 0.001 0.000 0.255 26 L C -0.338 176.544 176.870 0.020 0.000 1.039 26 L CA -1.413 53.436 54.840 0.014 0.000 0.846 26 L CB 1.356 43.422 42.059 0.012 0.000 1.419 26 L HN 0.377 nan 8.230 nan 0.000 0.435 27 I N 1.748 122.331 120.570 0.022 0.000 2.354 27 I HA 0.185 4.355 4.170 0.001 0.000 0.292 27 I C 0.046 176.180 176.117 0.030 0.000 0.989 27 I CA -0.503 60.814 61.300 0.029 0.000 1.188 27 I CB 1.690 39.709 38.000 0.031 0.000 1.342 27 I HN 0.176 nan 8.210 nan 0.000 0.457 28 V N 6.860 126.794 119.914 0.033 0.000 2.421 28 V HA 0.132 4.253 4.120 0.001 0.000 0.271 28 V C -0.176 175.943 176.094 0.042 0.000 1.031 28 V CA 0.390 62.710 62.300 0.034 0.000 1.032 28 V CB 0.701 32.543 31.823 0.031 0.000 1.009 28 V HN 0.858 nan 8.190 nan 0.000 0.477 29 D N 4.320 124.744 120.400 0.039 0.000 2.506 29 D HA 0.403 5.044 4.640 0.001 0.000 0.254 29 D C 0.108 176.438 176.300 0.051 0.000 1.089 29 D CA -0.520 53.508 54.000 0.045 0.000 1.050 29 D CB 1.585 42.406 40.800 0.035 0.000 1.221 29 D HN 0.716 nan 8.370 nan 0.000 0.589 30 E N -0.486 119.749 120.200 0.058 0.000 2.410 30 E HA 0.430 4.781 4.350 0.001 0.000 0.255 30 E C -0.693 175.934 176.600 0.045 0.000 1.194 30 E CA -0.522 55.917 56.400 0.064 0.000 0.955 30 E CB 0.670 30.413 29.700 0.072 0.000 0.988 30 E HN 0.414 nan 8.360 nan 0.000 0.461 31 A N 1.252 124.098 122.820 0.045 0.000 2.282 31 A HA 0.349 4.669 4.320 0.001 0.000 0.319 31 A C 0.337 177.940 177.584 0.033 0.000 1.121 31 A CA -0.552 51.506 52.037 0.036 0.000 0.836 31 A CB 0.572 19.594 19.000 0.037 0.000 1.146 31 A HN 0.504 nan 8.150 nan 0.000 0.494 32 I N -0.014 120.573 120.570 0.028 0.000 3.300 32 I HA 0.086 4.256 4.170 0.001 0.000 0.279 32 I C 0.551 176.683 176.117 0.026 0.000 1.172 32 I CA 0.661 61.975 61.300 0.024 0.000 1.431 32 I CB -0.715 37.296 38.000 0.019 0.000 1.240 32 I HN 0.612 nan 8.210 nan 0.000 0.453 33 N N 2.664 121.380 118.700 0.027 0.000 2.437 33 N HA 0.030 4.770 4.740 0.001 0.000 0.243 33 N C 0.459 175.991 175.510 0.036 0.000 1.041 33 N CA 0.069 53.136 53.050 0.030 0.000 0.940 33 N CB 1.240 39.745 38.487 0.029 0.000 1.133 33 N HN 0.107 nan 8.380 nan 0.000 0.506 34 E N 0.744 120.966 120.200 0.037 0.000 2.515 34 E HA -0.075 4.276 4.350 0.001 0.000 0.201 34 E C 0.100 176.733 176.600 0.055 0.000 1.071 34 E CA 0.268 56.693 56.400 0.042 0.000 0.880 34 E CB -0.166 29.557 29.700 0.038 0.000 0.828 34 E HN 0.401 nan 8.360 nan 0.000 0.540 35 D N 1.032 121.466 120.400 0.057 0.000 2.383 35 D HA 0.024 4.664 4.640 0.001 0.000 0.252 35 D C 0.385 176.735 176.300 0.083 0.000 1.166 35 D CA 0.064 54.108 54.000 0.074 0.000 0.879 35 D CB 0.426 41.259 40.800 0.055 0.000 1.164 35 D HN 0.100 nan 8.370 nan 0.000 0.462 36 N N 1.563 120.338 118.700 0.126 0.000 2.061 36 N HA -0.182 4.558 4.740 0.001 0.000 0.193 36 N C 1.489 177.063 175.510 0.107 0.000 1.030 36 N CA 1.202 54.335 53.050 0.139 0.000 0.856 36 N CB 0.110 38.739 38.487 0.237 0.000 1.023 36 N HN 0.300 nan 8.380 nan 0.000 0.424 37 S N 0.010 115.761 115.700 0.086 0.000 2.474 37 S HA -0.003 4.468 4.470 0.001 0.000 0.235 37 S C 0.566 175.190 174.600 0.041 0.000 0.997 37 S CA 0.147 58.378 58.200 0.052 0.000 0.949 37 S CB 0.224 63.432 63.200 0.014 0.000 0.766 37 S HN 0.166 nan 8.310 nan 0.000 0.517 38 V N 2.726 122.665 119.914 0.042 0.000 2.532 38 V HA 0.668 4.788 4.120 0.001 0.000 0.295 38 V C -0.514 175.600 176.094 0.033 0.000 1.041 38 V CA -0.639 61.681 62.300 0.034 0.000 0.926 38 V CB 1.650 33.492 31.823 0.032 0.000 0.992 38 V HN 0.164 nan 8.190 nan 0.000 0.457 39 V N 3.559 123.488 119.914 0.026 0.000 2.960 39 V HA 0.884 5.004 4.120 0.001 0.000 0.315 39 V C -0.218 175.887 176.094 0.019 0.000 1.087 39 V CA -0.374 61.940 62.300 0.023 0.000 0.982 39 V CB 1.866 33.701 31.823 0.020 0.000 1.039 39 V HN 0.875 nan 8.190 nan 0.000 0.437 40 S N 2.277 117.987 115.700 0.017 0.000 2.634 40 S HA 0.938 5.408 4.470 0.001 0.000 0.296 40 S C -0.739 173.866 174.600 0.008 0.000 1.104 40 S CA -0.711 57.497 58.200 0.012 0.000 0.920 40 S CB 1.620 64.828 63.200 0.013 0.000 1.111 40 S HN 0.790 nan 8.310 nan 0.000 0.493 41 L N 0.703 121.927 121.223 0.002 0.000 2.630 41 L HA 0.565 4.906 4.340 0.001 0.000 0.258 41 L C -0.449 176.416 176.870 -0.009 0.000 1.072 41 L CA -1.009 53.830 54.840 -0.003 0.000 0.885 41 L CB 2.100 44.155 42.059 -0.007 0.000 1.502 41 L HN 0.760 nan 8.230 nan 0.000 0.406 42 S N -0.701 114.992 115.700 -0.012 0.000 2.586 42 S HA 0.193 4.664 4.470 0.001 0.000 0.274 42 S C 0.441 175.023 174.600 -0.029 0.000 1.281 42 S CA -0.435 57.755 58.200 -0.016 0.000 1.035 42 S CB 1.950 65.142 63.200 -0.013 0.000 0.962 42 S HN 0.645 nan 8.310 nan 0.000 0.512 43 Q N 2.583 122.362 119.800 -0.035 0.000 2.062 43 Q HA -0.081 4.259 4.340 0.001 0.000 0.209 43 Q C -1.068 174.896 176.000 -0.060 0.000 0.996 43 Q CA 2.655 58.426 55.803 -0.054 0.000 0.859 43 Q CB -1.828 26.880 28.738 -0.051 0.000 0.920 43 Q HN 0.688 nan 8.270 nan 0.000 0.415 44 P HA -0.219 nan 4.420 nan 0.000 0.216 44 P C 0.930 178.206 177.300 -0.040 0.000 1.157 44 P CA 1.652 64.728 63.100 -0.040 0.000 0.880 44 P CB -0.072 31.612 31.700 -0.026 0.000 0.791 45 K N -0.649 119.732 120.400 -0.033 0.000 2.063 45 K HA -0.064 4.257 4.320 0.001 0.000 0.208 45 K C 2.062 178.640 176.600 -0.037 0.000 1.048 45 K CA 1.584 57.855 56.287 -0.027 0.000 0.928 45 K CB -0.904 31.585 32.500 -0.018 0.000 0.713 45 K HN 0.237 nan 8.250 nan 0.000 0.442 46 M N 0.704 120.271 119.600 -0.054 0.000 2.213 46 M HA -0.187 4.294 4.480 0.001 0.000 0.263 46 M C 1.396 177.636 176.300 -0.099 0.000 1.062 46 M CA 1.411 56.666 55.300 -0.075 0.000 1.105 46 M CB -0.342 32.194 32.600 -0.107 0.000 1.385 46 M HN 0.006 nan 8.290 nan 0.000 0.417 47 D N 0.404 120.744 120.400 -0.101 0.000 2.097 47 D HA -0.180 4.460 4.640 0.001 0.000 0.195 47 D C 1.803 178.072 176.300 -0.051 0.000 0.989 47 D CA 1.311 55.253 54.000 -0.097 0.000 0.827 47 D CB -0.407 40.345 40.800 -0.081 0.000 0.966 47 D HN 0.488 nan 8.370 nan 0.000 0.456 48 E N 0.021 120.200 120.200 -0.035 0.000 2.085 48 E HA -0.172 4.178 4.350 0.001 0.000 0.194 48 E C 1.405 178.001 176.600 -0.007 0.000 0.994 48 E CA 0.722 57.112 56.400 -0.017 0.000 0.801 48 E CB 0.142 29.834 29.700 -0.013 0.000 0.743 48 E HN 0.049 nan 8.360 nan 0.000 0.453 49 L N 0.930 122.148 121.223 -0.009 0.000 2.591 49 L HA 0.071 4.411 4.340 0.001 0.000 0.228 49 L C 0.283 177.166 176.870 0.022 0.000 1.133 49 L CA 0.683 55.526 54.840 0.006 0.000 0.880 49 L CB -0.436 41.626 42.059 0.004 0.000 1.033 49 L HN 0.169 nan 8.230 nan 0.000 0.450 50 Q N 0.278 120.087 119.800 0.014 0.000 2.460 50 Q HA -0.185 4.155 4.340 0.001 0.000 0.311 50 Q C -0.539 175.536 176.000 0.126 0.000 1.396 50 Q CA 0.755 56.595 55.803 0.062 0.000 0.838 50 Q CB -1.789 27.003 28.738 0.091 0.000 1.140 50 Q HN 0.387 nan 8.270 nan 0.000 0.415 51 L N -0.515 120.733 121.223 0.042 0.000 2.322 51 L HA 0.696 5.037 4.340 0.001 0.000 0.269 51 L C 0.178 177.072 176.870 0.039 0.000 1.012 51 L CA -0.821 54.087 54.840 0.114 0.000 0.815 51 L CB 1.043 43.126 42.059 0.041 0.000 1.295 51 L HN -0.035 nan 8.230 nan 0.000 0.438 52 F N -0.556 119.390 119.950 -0.006 0.000 2.598 52 F HA 0.410 4.938 4.527 0.001 0.000 0.327 52 F C 0.560 176.357 175.800 -0.004 0.000 1.057 52 F CA -1.015 56.982 58.000 -0.005 0.000 0.957 52 F CB 1.259 40.255 39.000 -0.007 0.000 1.278 52 F HN 0.323 nan 8.300 nan 0.000 0.484 53 R N 1.088 121.687 120.500 0.165 0.000 4.647 53 R HA 0.271 4.612 4.340 0.001 0.000 0.160 53 R C 0.512 176.868 176.300 0.094 0.000 2.111 53 R CA 1.128 57.284 56.100 0.094 0.000 1.600 53 R CB -1.153 29.194 30.300 0.079 0.000 1.317 53 R HN 0.846 nan 8.270 nan 0.000 0.797 54 G N -0.219 108.634 108.800 0.089 0.000 3.578 54 G HA2 -0.152 3.809 3.960 0.001 0.000 0.220 54 G HA3 -0.152 3.809 3.960 0.001 0.000 0.220 54 G C -0.819 174.113 174.900 0.054 0.000 0.933 54 G CA -0.280 44.856 45.100 0.061 0.000 0.847 54 G HN 0.460 nan 8.290 nan 0.000 0.612 55 D N 2.347 122.793 120.400 0.077 0.000 2.472 55 D HA 0.401 5.041 4.640 0.001 0.000 0.237 55 D C 1.099 177.418 176.300 0.032 0.000 1.141 55 D CA 1.137 55.170 54.000 0.056 0.000 0.875 55 D CB 1.256 42.108 40.800 0.087 0.000 1.192 55 D HN 0.357 nan 8.370 nan 0.000 0.450 56 T N -1.287 113.276 114.554 0.014 0.000 2.817 56 T HA 0.484 4.835 4.350 0.001 0.000 0.293 56 T C 0.198 174.881 174.700 -0.028 0.000 0.964 56 T CA -0.896 61.200 62.100 -0.006 0.000 1.085 56 T CB 0.627 69.489 68.868 -0.010 0.000 0.921 56 T HN 0.200 nan 8.240 nan 0.000 0.502 57 V N 2.084 121.976 119.914 -0.036 0.000 2.975 57 V HA 0.834 4.955 4.120 0.001 0.000 0.318 57 V C -0.518 175.523 176.094 -0.089 0.000 1.077 57 V CA -1.377 60.895 62.300 -0.046 0.000 1.000 57 V CB 1.440 33.252 31.823 -0.018 0.000 1.066 57 V HN 0.889 nan 8.190 nan 0.000 0.452 58 L N 3.254 124.424 121.223 -0.089 0.000 2.319 58 L HA 0.641 4.982 4.340 0.001 0.000 0.281 58 L C -0.654 176.187 176.870 -0.050 0.000 1.005 58 L CA -0.181 54.592 54.840 -0.112 0.000 0.828 58 L CB 0.859 42.836 42.059 -0.138 0.000 1.227 58 L HN 0.745 nan 8.230 nan 0.000 0.415 59 L N 4.942 126.144 121.223 -0.035 0.000 2.343 59 L HA 0.568 4.908 4.340 0.001 0.000 0.275 59 L C -0.123 176.749 176.870 0.003 0.000 1.056 59 L CA -0.650 54.185 54.840 -0.008 0.000 0.804 59 L CB 1.141 43.200 42.059 0.000 0.000 1.203 59 L HN 0.538 nan 8.230 nan 0.000 0.440 60 K N 1.172 121.578 120.400 0.010 0.000 2.471 60 K HA 0.650 4.970 4.320 0.001 0.000 0.252 60 K C -0.237 176.374 176.600 0.018 0.000 0.938 60 K CA -0.511 55.786 56.287 0.017 0.000 0.796 60 K CB 2.417 34.928 32.500 0.018 0.000 1.161 60 K HN 0.775 nan 8.250 nan 0.000 0.425 61 G N 1.777 110.589 108.800 0.021 0.000 3.252 61 G HA2 0.378 4.339 3.960 0.001 0.000 0.181 61 G HA3 0.378 4.339 3.960 0.001 0.000 0.181 61 G C -0.846 174.065 174.900 0.019 0.000 1.187 61 G CA -0.574 44.538 45.100 0.019 0.000 0.886 61 G HN 0.346 nan 8.290 nan 0.000 0.615 62 K N 0.221 120.631 120.400 0.017 0.000 2.102 62 K HA 0.330 4.651 4.320 0.001 0.000 0.244 62 K C -0.246 176.363 176.600 0.016 0.000 1.021 62 K CA -0.345 55.951 56.287 0.015 0.000 0.913 62 K CB 0.508 33.016 32.500 0.012 0.000 1.062 62 K HN 0.451 nan 8.250 nan 0.000 0.485 63 K N 1.383 121.791 120.400 0.014 0.000 3.156 63 K HA -0.248 4.073 4.320 0.001 0.000 0.266 63 K C -0.921 175.689 176.600 0.017 0.000 0.966 63 K CA 0.553 56.848 56.287 0.014 0.000 0.719 63 K CB -1.266 31.240 32.500 0.011 0.000 1.333 63 K HN 0.644 nan 8.250 nan 0.000 0.468 64 R N -0.891 119.621 120.500 0.019 0.000 3.301 64 R HA -0.253 4.087 4.340 0.001 0.000 0.249 64 R C -0.329 175.988 176.300 0.028 0.000 0.964 64 R CA 1.060 57.174 56.100 0.023 0.000 0.653 64 R CB -1.067 29.246 30.300 0.022 0.000 1.043 64 R HN 0.354 nan 8.270 nan 0.000 0.454 65 R N 0.621 121.138 120.500 0.029 0.000 2.668 65 R HA 0.469 4.810 4.340 0.001 0.000 0.279 65 R C -0.027 176.296 176.300 0.038 0.000 0.976 65 R CA -0.703 55.417 56.100 0.034 0.000 0.978 65 R CB 1.697 32.015 30.300 0.030 0.000 1.133 65 R HN 0.222 nan 8.270 nan 0.000 0.484 66 E N -0.189 120.040 120.200 0.047 0.000 2.429 66 E HA 0.696 5.046 4.350 0.001 0.000 0.276 66 E C -1.517 175.112 176.600 0.048 0.000 0.953 66 E CA -0.951 55.476 56.400 0.045 0.000 0.787 66 E CB 2.523 32.258 29.700 0.059 0.000 1.307 66 E HN 0.626 nan 8.360 nan 0.000 0.458 67 A N 0.706 123.542 122.820 0.025 0.000 2.606 67 A HA 0.670 4.991 4.320 0.001 0.000 0.293 67 A C -1.571 175.998 177.584 -0.026 0.000 1.082 67 A CA -0.569 51.483 52.037 0.025 0.000 0.685 67 A CB 1.651 20.672 19.000 0.035 0.000 1.284 67 A HN 0.237 nan 8.150 nan 0.000 0.408 68 V N 0.460 120.357 119.914 -0.028 0.000 2.444 68 V HA 0.570 4.690 4.120 0.001 0.000 0.294 68 V C -0.421 175.657 176.094 -0.026 0.000 1.022 68 V CA -0.348 61.901 62.300 -0.084 0.000 0.850 68 V CB 0.759 32.496 31.823 -0.144 0.000 0.992 68 V HN 1.110 nan 8.190 nan 0.000 0.426 69 C N 5.013 124.297 119.300 -0.027 0.000 3.154 69 C HA 0.643 5.104 4.460 0.001 0.000 0.312 69 C C -0.519 174.472 174.990 0.001 0.000 1.349 69 C CA -0.927 58.092 59.018 0.002 0.000 1.518 69 C CB 1.865 29.614 27.740 0.014 0.000 1.934 69 C HN 0.579 nan 8.230 nan 0.000 0.462 70 I N 1.858 122.437 120.570 0.016 0.000 2.472 70 I HA 0.405 4.575 4.170 0.001 0.000 0.290 70 I C 0.075 176.205 176.117 0.021 0.000 1.016 70 I CA -0.146 61.166 61.300 0.021 0.000 1.348 70 I CB 1.300 39.317 38.000 0.029 0.000 1.417 70 I HN 0.452 nan 8.210 nan 0.000 0.521 71 V N 7.729 127.658 119.914 0.024 0.000 2.326 71 V HA 0.455 4.575 4.120 0.001 0.000 0.281 71 V C -0.193 175.915 176.094 0.023 0.000 1.015 71 V CA -0.346 61.966 62.300 0.021 0.000 0.823 71 V CB 1.002 32.836 31.823 0.018 0.000 1.009 71 V HN 0.552 nan 8.190 nan 0.000 0.436 72 L N 4.941 126.175 121.223 0.018 0.000 2.397 72 L HA 0.703 5.043 4.340 0.001 0.000 0.266 72 L C 0.474 177.346 176.870 0.003 0.000 1.040 72 L CA -0.629 54.219 54.840 0.015 0.000 0.800 72 L CB 2.127 44.197 42.059 0.018 0.000 1.324 72 L HN 0.725 nan 8.230 nan 0.000 0.469 73 S N -1.281 114.418 115.700 -0.002 0.000 2.509 73 S HA 0.571 5.042 4.470 0.001 0.000 0.297 73 S C -1.097 173.500 174.600 -0.005 0.000 1.118 73 S CA -0.764 57.429 58.200 -0.012 0.000 1.074 73 S CB 2.097 65.283 63.200 -0.023 0.000 1.038 73 S HN 0.535 nan 8.310 nan 0.000 0.498 74 D N -0.182 120.214 120.400 -0.006 0.000 2.863 74 D HA 0.268 4.908 4.640 0.001 0.000 0.245 74 D C 0.311 176.609 176.300 -0.004 0.000 1.211 74 D CA -0.584 53.415 54.000 -0.002 0.000 0.888 74 D CB 1.645 42.447 40.800 0.004 0.000 1.483 74 D HN 0.617 nan 8.370 nan 0.000 0.533 75 D N 0.969 121.367 120.400 -0.003 0.000 2.234 75 D HA -0.141 4.500 4.640 0.001 0.000 0.205 75 D C 1.268 177.567 176.300 -0.002 0.000 0.962 75 D CA 0.734 54.731 54.000 -0.004 0.000 0.855 75 D CB -0.094 40.703 40.800 -0.004 0.000 0.951 75 D HN 0.434 nan 8.370 nan 0.000 0.500 76 T N -1.463 113.092 114.554 0.001 0.000 3.148 76 T HA 0.077 4.428 4.350 0.001 0.000 0.253 76 T C 0.912 175.614 174.700 0.004 0.000 1.134 76 T CA -0.499 61.603 62.100 0.003 0.000 1.051 76 T CB -0.904 67.967 68.868 0.004 0.000 0.959 76 T HN 0.210 nan 8.240 nan 0.000 0.525 77 C N 2.988 122.290 119.300 0.003 0.000 2.369 77 C HA 0.654 5.114 4.460 0.001 0.000 0.358 77 C C 0.606 175.598 174.990 0.002 0.000 1.274 77 C CA -0.689 58.331 59.018 0.004 0.000 1.935 77 C CB -0.437 27.306 27.740 0.004 0.000 2.431 77 C HN 0.570 nan 8.230 nan 0.000 0.545 78 S N 5.407 121.109 115.700 0.005 0.000 2.564 78 S HA 0.082 4.552 4.470 0.001 0.000 0.278 78 S C 1.060 175.661 174.600 0.002 0.000 1.333 78 S CA -0.416 57.786 58.200 0.004 0.000 1.048 78 S CB 0.896 64.100 63.200 0.007 0.000 0.900 78 S HN 0.844 nan 8.310 nan 0.000 0.505 79 D N 2.772 123.172 120.400 -0.000 0.000 2.154 79 D HA -0.222 4.419 4.640 0.001 0.000 0.190 79 D C 1.625 177.925 176.300 0.000 0.000 1.003 79 D CA 1.890 55.888 54.000 -0.003 0.000 0.849 79 D CB -0.113 40.684 40.800 -0.004 0.000 0.942 79 D HN 0.862 nan 8.370 nan 0.000 0.446 80 E N 0.598 120.800 120.200 0.003 0.000 2.511 80 E HA 0.053 4.403 4.350 0.001 0.000 0.196 80 E C 0.434 177.040 176.600 0.010 0.000 1.066 80 E CA 0.447 56.851 56.400 0.006 0.000 0.871 80 E CB 0.127 29.831 29.700 0.007 0.000 0.863 80 E HN 0.164 nan 8.360 nan 0.000 0.520 81 K N 0.881 121.287 120.400 0.011 0.000 2.238 81 K HA 0.576 4.896 4.320 0.001 0.000 0.239 81 K C -0.934 175.674 176.600 0.013 0.000 0.987 81 K CA -0.912 55.384 56.287 0.015 0.000 0.857 81 K CB 2.466 34.977 32.500 0.018 0.000 1.154 81 K HN -0.015 nan 8.250 nan 0.000 0.439 82 I N 0.947 121.527 120.570 0.017 0.000 2.533 82 I HA 0.347 4.517 4.170 0.001 0.000 0.290 82 I C -0.985 175.145 176.117 0.021 0.000 1.056 82 I CA -0.799 60.510 61.300 0.016 0.000 1.057 82 I CB 1.410 39.419 38.000 0.015 0.000 1.240 82 I HN 0.515 nan 8.210 nan 0.000 0.423 83 R N 8.130 128.642 120.500 0.020 0.000 2.500 83 R HA 0.797 5.138 4.340 0.001 0.000 0.277 83 R C -0.813 175.503 176.300 0.027 0.000 1.026 83 R CA -0.543 55.572 56.100 0.025 0.000 1.058 83 R CB 1.613 31.927 30.300 0.023 0.000 1.078 83 R HN 0.744 nan 8.270 nan 0.000 0.509 84 M N -0.751 118.867 119.600 0.031 0.000 2.569 84 M HA 0.309 4.790 4.480 0.001 0.000 0.287 84 M C -1.886 174.435 176.300 0.034 0.000 1.130 84 M CA -1.224 54.095 55.300 0.032 0.000 0.885 84 M CB 1.596 34.214 32.600 0.030 0.000 1.759 84 M HN 0.353 nan 8.290 nan 0.000 0.515 85 N N 0.852 119.573 118.700 0.036 0.000 2.445 85 N HA 0.421 5.161 4.740 0.001 0.000 0.264 85 N C 0.263 175.786 175.510 0.022 0.000 1.227 85 N CA -0.911 52.158 53.050 0.032 0.000 0.963 85 N CB 0.715 39.224 38.487 0.036 0.000 1.188 85 N HN 0.729 nan 8.380 nan 0.000 0.491 86 R N 0.110 120.614 120.500 0.006 0.000 2.211 86 R HA -0.121 4.220 4.340 0.001 0.000 0.240 86 R C 0.970 177.266 176.300 -0.006 0.000 1.144 86 R CA 0.781 56.873 56.100 -0.015 0.000 0.992 86 R CB -0.377 29.897 30.300 -0.043 0.000 0.869 86 R HN 0.483 nan 8.270 nan 0.000 0.462 87 V N -0.260 119.661 119.914 0.011 0.000 2.237 87 V HA -0.239 3.881 4.120 0.001 0.000 0.245 87 V C 2.344 178.463 176.094 0.043 0.000 1.046 87 V CA 1.758 64.076 62.300 0.029 0.000 1.007 87 V CB -0.444 31.415 31.823 0.060 0.000 0.638 87 V HN 0.124 nan 8.190 nan 0.000 0.445 88 V N -0.272 119.671 119.914 0.049 0.000 2.307 88 V HA -0.245 3.875 4.120 0.001 0.000 0.245 88 V C 2.566 178.680 176.094 0.033 0.000 1.045 88 V CA 2.187 64.516 62.300 0.049 0.000 1.024 88 V CB -0.841 31.010 31.823 0.046 0.000 0.651 88 V HN 0.423 nan 8.190 nan 0.000 0.449 89 R N 0.136 120.650 120.500 0.022 0.000 2.117 89 R HA -0.210 4.130 4.340 0.001 0.000 0.243 89 R C 2.124 178.427 176.300 0.005 0.000 1.143 89 R CA 2.193 58.300 56.100 0.012 0.000 0.968 89 R CB -0.319 29.983 30.300 0.004 0.000 0.863 89 R HN 0.670 nan 8.270 nan 0.000 0.444 90 N N -0.376 118.325 118.700 0.002 0.000 2.300 90 N HA -0.062 4.678 4.740 0.001 0.000 0.179 90 N C 1.218 176.733 175.510 0.010 0.000 1.016 90 N CA 0.363 53.410 53.050 -0.004 0.000 0.876 90 N CB 0.024 38.501 38.487 -0.016 0.000 0.979 90 N HN 0.200 nan 8.380 nan 0.000 0.432 91 N N 1.006 119.721 118.700 0.026 0.000 2.364 91 N HA -0.066 4.675 4.740 0.001 0.000 0.183 91 N C 1.213 176.743 175.510 0.034 0.000 1.022 91 N CA 0.775 53.849 53.050 0.040 0.000 0.883 91 N CB 0.047 38.572 38.487 0.063 0.000 0.965 91 N HN 0.318 nan 8.380 nan 0.000 0.438 92 L N -0.475 120.763 121.223 0.026 0.000 2.585 92 L HA 0.242 4.582 4.340 0.001 0.000 0.226 92 L C 0.182 177.061 176.870 0.016 0.000 1.113 92 L CA -0.117 54.737 54.840 0.023 0.000 0.876 92 L CB 0.277 42.349 42.059 0.022 0.000 1.072 92 L HN -0.124 nan 8.230 nan 0.000 0.468 93 R N -0.580 119.927 120.500 0.010 0.000 3.776 93 R HA -0.108 4.233 4.340 0.001 0.000 0.312 93 R C -0.923 175.378 176.300 0.002 0.000 1.181 93 R CA 0.352 56.455 56.100 0.004 0.000 0.836 93 R CB -2.550 27.754 30.300 0.007 0.000 1.324 93 R HN 0.104 nan 8.270 nan 0.000 0.501 94 V N 0.784 120.699 119.914 0.003 0.000 2.815 94 V HA 0.648 4.769 4.120 0.001 0.000 0.314 94 V C 0.544 176.635 176.094 -0.005 0.000 1.064 94 V CA -0.904 61.398 62.300 0.003 0.000 0.952 94 V CB 2.225 34.055 31.823 0.011 0.000 1.020 94 V HN 0.065 nan 8.190 nan 0.000 0.439 95 R N 2.054 122.551 120.500 -0.005 0.000 2.758 95 R HA 0.587 4.928 4.340 0.001 0.000 0.265 95 R C -0.764 175.542 176.300 0.010 0.000 1.016 95 R CA -1.035 55.057 56.100 -0.013 0.000 1.040 95 R CB 1.239 31.527 30.300 -0.021 0.000 1.152 95 R HN 0.547 nan 8.270 nan 0.000 0.503 96 L N 1.305 122.543 121.223 0.025 0.000 2.584 96 L HA 0.035 4.376 4.340 0.001 0.000 0.272 96 L C 1.393 178.299 176.870 0.061 0.000 1.195 96 L CA 1.305 56.182 54.840 0.062 0.000 0.920 96 L CB 0.152 42.288 42.059 0.127 0.000 1.173 96 L HN 1.073 nan 8.230 nan 0.000 0.489 97 G N 1.677 110.510 108.800 0.056 0.000 2.352 97 G HA2 -0.194 3.766 3.960 0.001 0.000 0.204 97 G HA3 -0.194 3.766 3.960 0.001 0.000 0.204 97 G C 0.217 175.153 174.900 0.059 0.000 1.004 97 G CA -0.338 44.799 45.100 0.061 0.000 0.648 97 G HN 0.562 nan 8.290 nan 0.000 0.491 98 D N 0.465 120.891 120.400 0.044 0.000 2.346 98 D HA 0.449 5.089 4.640 0.001 0.000 0.249 98 D C 0.863 177.187 176.300 0.040 0.000 1.308 98 D CA 0.993 55.019 54.000 0.043 0.000 0.987 98 D CB 1.434 42.251 40.800 0.029 0.000 1.114 98 D HN 0.985 nan 8.370 nan 0.000 0.529 99 V N -1.846 118.089 119.914 0.036 0.000 2.769 99 V HA 0.715 4.835 4.120 0.001 0.000 0.312 99 V C -0.442 175.667 176.094 0.024 0.000 1.061 99 V CA -0.899 61.418 62.300 0.029 0.000 0.931 99 V CB 1.504 33.344 31.823 0.028 0.000 1.010 99 V HN 0.460 nan 8.190 nan 0.000 0.433 100 I N 1.287 121.869 120.570 0.021 0.000 3.145 100 I HA 0.927 5.097 4.170 0.001 0.000 0.313 100 I C -0.036 176.090 176.117 0.015 0.000 1.122 100 I CA -1.187 60.123 61.300 0.018 0.000 0.987 100 I CB 2.084 40.094 38.000 0.017 0.000 1.236 100 I HN 0.696 nan 8.210 nan 0.000 0.453 101 S N 3.482 119.191 115.700 0.014 0.000 2.456 101 S HA 0.728 5.199 4.470 0.001 0.000 0.316 101 S C -0.414 174.191 174.600 0.008 0.000 1.089 101 S CA -0.474 57.733 58.200 0.012 0.000 1.101 101 S CB 0.942 64.150 63.200 0.013 0.000 0.995 101 S HN 0.810 nan 8.310 nan 0.000 0.468 102 I N 3.207 123.781 120.570 0.006 0.000 2.460 102 I HA 0.499 4.669 4.170 0.001 0.000 0.298 102 I C -0.891 175.228 176.117 0.002 0.000 0.989 102 I CA -0.572 60.730 61.300 0.002 0.000 1.173 102 I CB 1.351 39.353 38.000 0.003 0.000 1.338 102 I HN 0.924 nan 8.210 nan 0.000 0.456 103 Q N 6.107 125.906 119.800 -0.003 0.000 2.391 103 Q HA 0.599 4.939 4.340 0.001 0.000 0.279 103 Q C -2.886 173.111 176.000 -0.006 0.000 1.028 103 Q CA -2.088 53.716 55.803 0.001 0.000 0.836 103 Q CB 1.552 30.292 28.738 0.004 0.000 1.414 103 Q HN 0.296 nan 8.270 nan 0.000 0.397 104 P HA 0.036 nan 4.420 nan 0.000 0.268 104 P C -0.841 176.454 177.300 -0.010 0.000 1.205 104 P CA -0.193 62.911 63.100 0.006 0.000 0.771 104 P CB 0.561 32.276 31.700 0.024 0.000 0.858 105 C N 6.423 125.708 119.300 -0.025 0.000 3.169 105 C HA 0.335 4.795 4.460 0.001 0.000 0.232 105 C C -1.457 173.528 174.990 -0.008 0.000 1.316 105 C CA -1.854 57.138 59.018 -0.044 0.000 1.545 105 C CB -0.270 27.375 27.740 -0.158 0.000 1.785 105 C HN 0.535 nan 8.230 nan 0.000 0.454 106 P HA 0.029 nan 4.420 nan 0.000 0.245 106 P C 0.464 177.783 177.300 0.032 0.000 1.212 106 P CA 0.958 64.066 63.100 0.014 0.000 0.774 106 P CB 0.088 31.790 31.700 0.004 0.000 0.999 107 D N -1.202 119.240 120.400 0.070 0.000 2.350 107 D HA 0.015 4.655 4.640 0.001 0.000 0.213 107 D C 0.530 176.925 176.300 0.159 0.000 1.031 107 D CA -0.164 53.897 54.000 0.101 0.000 0.861 107 D CB -0.641 40.235 40.800 0.126 0.000 0.926 107 D HN -0.119 nan 8.370 nan 0.000 0.520 108 V N 1.342 121.372 119.914 0.192 0.000 2.599 108 V HA -0.007 4.113 4.120 0.001 0.000 0.300 108 V C 0.835 177.030 176.094 0.167 0.000 1.034 108 V CA 0.056 62.508 62.300 0.253 0.000 1.115 108 V CB 0.500 32.435 31.823 0.186 0.000 0.934 108 V HN 0.131 nan 8.190 nan 0.000 0.485 109 K N 3.046 123.544 120.400 0.163 0.000 2.209 109 K HA 0.421 4.742 4.320 0.001 0.000 0.238 109 K C -1.004 175.753 176.600 0.262 0.000 1.028 109 K CA -0.793 55.578 56.287 0.140 0.000 0.935 109 K CB 0.700 33.247 32.500 0.080 0.000 1.162 109 K HN 0.456 nan 8.250 nan 0.000 0.485 110 Y N 1.236 121.546 120.300 0.018 0.000 2.751 110 Y HA 0.186 4.736 4.550 0.001 0.000 0.333 110 Y C 0.860 176.760 175.900 0.000 0.000 1.122 110 Y CA -0.852 57.261 58.100 0.022 0.000 1.367 110 Y CB 0.065 38.541 38.460 0.027 0.000 1.242 110 Y HN 0.725 nan 8.280 nan 0.000 0.505 111 G N 2.567 111.423 108.800 0.094 0.000 2.945 111 G HA2 -0.092 3.869 3.960 0.001 0.000 0.248 111 G HA3 -0.092 3.869 3.960 0.001 0.000 0.248 111 G C 0.884 175.782 174.900 -0.003 0.000 1.250 111 G CA -0.114 44.998 45.100 0.019 0.000 0.886 111 G HN 0.589 nan 8.290 nan 0.000 0.609 112 K N -0.244 120.139 120.400 -0.028 0.000 2.312 112 K HA 0.132 4.452 4.320 0.001 0.000 0.223 112 K C 1.012 177.573 176.600 -0.064 0.000 1.043 112 K CA 0.085 56.353 56.287 -0.032 0.000 0.981 112 K CB 0.112 32.592 32.500 -0.033 0.000 1.142 112 K HN 0.619 nan 8.250 nan 0.000 0.463 113 R N 1.218 121.658 120.500 -0.100 0.000 2.514 113 R HA 0.479 4.819 4.340 0.001 0.000 0.301 113 R C -0.787 175.393 176.300 -0.200 0.000 0.962 113 R CA -0.446 55.553 56.100 -0.169 0.000 0.882 113 R CB 1.071 31.205 30.300 -0.277 0.000 1.143 113 R HN 0.171 nan 8.270 nan 0.000 0.452 114 I N 1.891 122.344 120.570 -0.195 0.000 2.509 114 I HA 0.231 4.401 4.170 0.001 0.000 0.293 114 I C -0.697 175.384 176.117 -0.059 0.000 1.020 114 I CA -1.171 60.047 61.300 -0.137 0.000 1.088 114 I CB 1.983 39.875 38.000 -0.179 0.000 1.267 114 I HN 0.582 nan 8.210 nan 0.000 0.430 115 H N 5.689 124.688 119.070 -0.118 0.000 2.595 115 H HA 0.614 5.171 4.556 0.001 0.000 0.313 115 H C -1.284 174.056 175.328 0.019 0.000 1.023 115 H CA -0.554 55.461 56.048 -0.055 0.000 1.218 115 H CB 1.060 30.785 29.762 -0.062 0.000 1.403 115 H HN 0.232 nan 8.280 nan 0.000 0.477 116 V N 6.363 126.314 119.914 0.062 0.000 2.881 116 V HA 0.489 4.610 4.120 0.001 0.000 0.316 116 V C -0.309 175.754 176.094 -0.051 0.000 1.070 116 V CA -0.863 61.451 62.300 0.023 0.000 0.976 116 V CB 2.163 34.043 31.823 0.095 0.000 1.038 116 V HN 0.645 nan 8.190 nan 0.000 0.446 117 L N 4.529 125.780 121.223 0.047 0.000 2.543 117 L HA 0.454 4.795 4.340 0.001 0.000 0.265 117 L C -2.569 174.422 176.870 0.202 0.000 0.945 117 L CA -1.424 53.469 54.840 0.089 0.000 0.869 117 L CB 3.111 45.131 42.059 -0.065 0.000 1.294 117 L HN 0.456 nan 8.230 nan 0.000 0.405 118 P HA 0.198 nan 4.420 nan 0.000 0.282 118 P C -0.792 176.401 177.300 -0.178 0.000 1.286 118 P CA -0.137 62.864 63.100 -0.165 0.000 0.777 118 P CB 1.172 32.717 31.700 -0.260 0.000 1.184 119 I N 0.437 120.842 120.570 -0.276 0.000 2.437 119 I HA 0.081 4.251 4.170 0.001 0.000 0.279 119 I C 1.182 177.196 176.117 -0.172 0.000 1.028 119 I CA -0.494 60.692 61.300 -0.189 0.000 1.142 119 I CB 1.055 38.939 38.000 -0.194 0.000 1.266 119 I HN 0.341 nan 8.210 nan 0.000 0.461 120 D N 4.210 124.540 120.400 -0.117 0.000 4.269 120 D HA -0.413 4.227 4.640 0.001 0.000 0.343 120 D C 1.229 177.465 176.300 -0.106 0.000 1.351 120 D CA 2.654 56.598 54.000 -0.094 0.000 1.052 120 D CB -0.620 40.141 40.800 -0.065 0.000 0.912 120 D HN 0.745 nan 8.370 nan 0.000 0.642 121 D N -1.086 119.250 120.400 -0.106 0.000 2.354 121 D HA -0.140 4.501 4.640 0.001 0.000 0.216 121 D C 1.870 178.090 176.300 -0.134 0.000 0.970 121 D CA 2.222 56.160 54.000 -0.104 0.000 0.905 121 D CB -0.832 39.911 40.800 -0.093 0.000 0.903 121 D HN 0.639 nan 8.370 nan 0.000 0.508 122 T N -2.331 112.114 114.554 -0.183 0.000 3.051 122 T HA 0.032 4.383 4.350 0.001 0.000 0.255 122 T C 1.562 176.123 174.700 -0.233 0.000 1.085 122 T CA 0.512 62.472 62.100 -0.234 0.000 1.109 122 T CB -0.231 68.435 68.868 -0.336 0.000 0.921 122 T HN 0.188 nan 8.240 nan 0.000 0.488 123 V N -1.635 118.161 119.914 -0.197 0.000 3.214 123 V HA 0.630 4.751 4.120 0.001 0.000 0.330 123 V C 0.468 176.515 176.094 -0.077 0.000 1.403 123 V CA -0.360 61.852 62.300 -0.147 0.000 1.143 123 V CB -1.192 30.544 31.823 -0.145 0.000 1.098 123 V HN 0.568 nan 8.190 nan 0.000 0.463 124 E N 0.910 121.065 120.200 -0.075 0.000 2.299 124 E HA 0.477 4.828 4.350 0.001 0.000 0.272 124 E C 1.388 177.969 176.600 -0.032 0.000 1.043 124 E CA 0.525 56.897 56.400 -0.047 0.000 0.895 124 E CB 0.123 29.793 29.700 -0.050 0.000 1.011 124 E HN 1.681 nan 8.360 nan 0.000 0.432 125 G N 1.541 110.331 108.800 -0.017 0.000 2.313 125 G HA2 -0.241 3.719 3.960 0.001 0.000 0.215 125 G HA3 -0.241 3.719 3.960 0.001 0.000 0.215 125 G C 0.683 175.587 174.900 0.006 0.000 1.023 125 G CA 0.072 45.168 45.100 -0.007 0.000 0.626 125 G HN 1.614 nan 8.290 nan 0.000 0.503 126 I N 0.572 121.149 120.570 0.011 0.000 2.396 126 I HA 0.786 4.956 4.170 0.001 0.000 0.292 126 I C -0.355 175.788 176.117 0.044 0.000 0.999 126 I CA -0.479 60.843 61.300 0.037 0.000 1.310 126 I CB 1.795 39.835 38.000 0.067 0.000 1.404 126 I HN 0.001 nan 8.210 nan 0.000 0.496 127 T N 3.970 118.553 114.554 0.048 0.000 2.893 127 T HA 0.843 5.194 4.350 0.001 0.000 0.293 127 T C 0.011 174.747 174.700 0.060 0.000 1.027 127 T CA -0.233 61.897 62.100 0.050 0.000 0.988 127 T CB 1.723 70.611 68.868 0.034 0.000 1.043 127 T HN 1.330 nan 8.240 nan 0.000 0.461 128 G N 2.129 110.971 108.800 0.071 0.000 2.334 128 G HA2 0.075 4.035 3.960 0.001 0.000 0.315 128 G HA3 0.075 4.035 3.960 0.001 0.000 0.315 128 G C -1.203 173.758 174.900 0.102 0.000 1.284 128 G CA -1.140 44.002 45.100 0.070 0.000 0.985 128 G HN 0.749 nan 8.290 nan 0.000 0.504 129 N N 0.798 119.550 118.700 0.086 0.000 2.406 129 N HA 0.194 4.934 4.740 0.001 0.000 0.274 129 N C 1.621 177.235 175.510 0.174 0.000 1.249 129 N CA -0.142 52.977 53.050 0.115 0.000 0.951 129 N CB 0.189 38.706 38.487 0.050 0.000 1.241 129 N HN 0.484 nan 8.380 nan 0.000 0.485 130 L N 2.854 124.246 121.223 0.282 0.000 2.478 130 L HA -0.023 4.317 4.340 0.001 0.000 0.223 130 L C 1.643 178.796 176.870 0.472 0.000 1.140 130 L CA 0.225 55.338 54.840 0.455 0.000 0.842 130 L CB -0.408 41.966 42.059 0.526 0.000 0.953 130 L HN 0.425 nan 8.230 nan 0.000 0.452 131 F N 1.593 121.641 119.950 0.164 0.000 2.118 131 F HA -0.085 4.443 4.527 0.001 0.000 0.293 131 F C 2.221 178.076 175.800 0.092 0.000 1.102 131 F CA 1.367 59.434 58.000 0.112 0.000 1.247 131 F CB -0.334 38.709 39.000 0.072 0.000 1.017 131 F HN 0.056 nan 8.300 nan 0.000 0.475 132 E N -0.214 119.887 120.200 -0.165 0.000 2.427 132 E HA -0.035 4.315 4.350 0.001 0.000 0.196 132 E C 2.143 178.668 176.600 -0.126 0.000 1.028 132 E CA 0.664 56.882 56.400 -0.303 0.000 0.864 132 E CB 0.182 29.682 29.700 -0.333 0.000 0.813 132 E HN 0.307 nan 8.360 nan 0.000 0.514 133 V N -0.297 119.578 119.914 -0.065 0.000 2.949 133 V HA -0.080 4.040 4.120 0.001 0.000 0.245 133 V C 1.009 176.864 176.094 -0.398 0.000 1.086 133 V CA 1.218 63.368 62.300 -0.250 0.000 1.097 133 V CB -0.102 31.533 31.823 -0.313 0.000 0.762 133 V HN 0.185 nan 8.190 nan 0.000 0.470 134 Y N -2.073 118.338 120.300 0.186 0.000 2.972 134 Y HA 0.289 4.839 4.550 0.001 0.000 0.229 134 Y C 1.971 178.018 175.900 0.245 0.000 0.980 134 Y CA -0.313 57.921 58.100 0.223 0.000 1.475 134 Y CB -0.578 38.089 38.460 0.345 0.000 1.459 134 Y HN -0.122 nan 8.280 nan 0.000 0.460 135 L N 1.278 122.772 121.223 0.451 0.000 1.997 135 L HA -0.301 4.039 4.340 0.001 0.000 0.216 135 L C 2.209 179.375 176.870 0.493 0.000 1.074 135 L CA 2.044 57.124 54.840 0.400 0.000 0.763 135 L CB -1.410 40.836 42.059 0.312 0.000 0.890 135 L HN 0.287 nan 8.230 nan 0.000 0.434 136 K N -0.251 120.495 120.400 0.577 0.000 1.987 136 K HA -0.193 4.128 4.320 0.001 0.000 0.216 136 K C -0.140 176.597 176.600 0.227 0.000 1.051 136 K CA 2.154 58.695 56.287 0.424 0.000 0.942 136 K CB -0.930 31.622 32.500 0.086 0.000 0.722 136 K HN 0.224 nan 8.250 nan 0.000 0.444 137 P HA -0.163 nan 4.420 nan 0.000 0.218 137 P C 0.832 178.199 177.300 0.110 0.000 1.148 137 P CA 1.040 64.198 63.100 0.097 0.000 0.822 137 P CB -0.080 31.662 31.700 0.069 0.000 0.784 138 Y N -0.618 119.672 120.300 -0.016 0.000 2.163 138 Y HA -0.143 4.407 4.550 0.001 0.000 0.288 138 Y C 1.870 177.610 175.900 -0.266 0.000 1.136 138 Y CA 1.500 59.498 58.100 -0.170 0.000 1.147 138 Y CB -0.892 37.398 38.460 -0.283 0.000 0.987 138 Y HN -0.167 nan 8.280 nan 0.000 0.509 139 F N -0.421 119.444 119.950 -0.143 0.000 2.473 139 F HA 0.077 4.604 4.527 0.001 0.000 0.294 139 F C 0.762 176.418 175.800 -0.240 0.000 1.103 139 F CA -0.146 57.680 58.000 -0.291 0.000 1.442 139 F CB -0.836 38.048 39.000 -0.195 0.000 1.097 139 F HN -0.124 nan 8.300 nan 0.000 0.547 140 L N 2.753 123.994 121.223 0.030 0.000 2.848 140 L HA -0.186 4.154 4.340 0.001 0.000 0.286 140 L C 0.918 177.708 176.870 -0.133 0.000 1.150 140 L CA -0.023 54.795 54.840 -0.037 0.000 0.958 140 L CB -0.438 41.619 42.059 -0.004 0.000 1.322 140 L HN 0.357 nan 8.230 nan 0.000 0.469 141 E N 1.966 122.024 120.200 -0.237 0.000 2.604 141 E HA -0.349 4.001 4.350 0.001 0.000 0.255 141 E C 0.943 177.337 176.600 -0.344 0.000 1.164 141 E CA 0.996 57.188 56.400 -0.347 0.000 0.737 141 E CB -1.760 27.848 29.700 -0.153 0.000 1.317 141 E HN 0.828 nan 8.360 nan 0.000 0.417 142 A N -0.892 121.727 122.820 -0.334 0.000 2.085 142 A HA 0.180 4.501 4.320 0.001 0.000 0.208 142 A C 0.579 178.126 177.584 -0.062 0.000 1.191 142 A CA 0.606 52.539 52.037 -0.173 0.000 0.799 142 A CB -0.000 18.885 19.000 -0.191 0.000 0.877 142 A HN 0.278 nan 8.150 nan 0.000 0.473 143 Y N -0.377 119.871 120.300 -0.087 0.000 3.825 143 Y HA -0.230 4.320 4.550 0.001 0.000 0.221 143 Y C 0.474 176.325 175.900 -0.082 0.000 1.195 143 Y CA 0.534 58.563 58.100 -0.118 0.000 1.699 143 Y CB -2.381 36.028 38.460 -0.085 0.000 1.531 143 Y HN 0.406 nan 8.280 nan 0.000 0.640 144 R N 1.922 122.434 120.500 0.020 0.000 2.484 144 R HA 0.136 4.476 4.340 0.001 0.000 0.293 144 R C -2.155 174.160 176.300 0.024 0.000 1.023 144 R CA -1.106 54.999 56.100 0.008 0.000 1.037 144 R CB 0.198 30.467 30.300 -0.053 0.000 0.951 144 R HN 0.107 nan 8.270 nan 0.000 0.418 145 P HA 0.252 nan 4.420 nan 0.000 0.282 145 P C -0.582 176.741 177.300 0.038 0.000 1.249 145 P CA -0.279 62.841 63.100 0.033 0.000 0.806 145 P CB 1.042 32.758 31.700 0.027 0.000 0.984 146 I N -1.315 119.285 120.570 0.050 0.000 2.827 146 I HA 0.623 4.793 4.170 0.001 0.000 0.298 146 I C -1.082 175.110 176.117 0.125 0.000 1.235 146 I CA -1.288 60.056 61.300 0.073 0.000 1.021 146 I CB 3.033 41.056 38.000 0.039 0.000 1.259 146 I HN 0.157 nan 8.210 nan 0.000 0.427 147 R N 4.021 124.609 120.500 0.147 0.000 2.732 147 R HA 0.442 4.782 4.340 0.001 0.000 0.278 147 R C -0.839 175.551 176.300 0.149 0.000 0.976 147 R CA -0.781 55.434 56.100 0.192 0.000 0.963 147 R CB 2.129 32.544 30.300 0.192 0.000 1.150 147 R HN 0.919 nan 8.270 nan 0.000 0.478 148 K N 0.851 121.326 120.400 0.125 0.000 2.436 148 K HA 0.097 4.417 4.320 0.001 0.000 0.275 148 K C 0.456 177.114 176.600 0.097 0.000 0.999 148 K CA 1.434 57.777 56.287 0.094 0.000 0.980 148 K CB 0.242 32.776 32.500 0.057 0.000 0.919 148 K HN 0.800 nan 8.250 nan 0.000 0.484 149 G N 2.827 111.683 108.800 0.094 0.000 2.217 149 G HA2 -0.199 3.762 3.960 0.001 0.000 0.246 149 G HA3 -0.199 3.762 3.960 0.001 0.000 0.246 149 G C -0.284 174.673 174.900 0.095 0.000 0.990 149 G CA 0.224 45.371 45.100 0.079 0.000 0.627 149 G HN 0.713 nan 8.290 nan 0.000 0.522 150 D N 0.163 120.646 120.400 0.139 0.000 2.358 150 D HA 0.602 5.243 4.640 0.001 0.000 0.244 150 D C 0.773 177.190 176.300 0.195 0.000 1.163 150 D CA 0.128 54.225 54.000 0.163 0.000 0.945 150 D CB 0.967 41.884 40.800 0.195 0.000 1.152 150 D HN 0.285 nan 8.370 nan 0.000 0.451 151 I N 1.593 122.259 120.570 0.161 0.000 2.418 151 I HA 0.274 4.444 4.170 0.001 0.000 0.287 151 I C -0.630 175.578 176.117 0.151 0.000 1.008 151 I CA -0.867 60.480 61.300 0.078 0.000 1.104 151 I CB 0.857 38.843 38.000 -0.025 0.000 1.264 151 I HN 0.206 nan 8.210 nan 0.000 0.438 152 F N 5.963 125.954 119.950 0.067 0.000 2.557 152 F HA 0.850 5.377 4.527 0.001 0.000 0.336 152 F C -1.153 174.596 175.800 -0.084 0.000 1.058 152 F CA -1.486 56.529 58.000 0.024 0.000 0.988 152 F CB 0.933 39.993 39.000 0.101 0.000 1.275 152 F HN 0.223 nan 8.300 nan 0.000 0.488 153 L N 1.463 122.660 121.223 -0.043 0.000 2.381 153 L HA 0.834 5.174 4.340 0.001 0.000 0.268 153 L C -1.524 175.166 176.870 -0.299 0.000 0.997 153 L CA -0.729 53.983 54.840 -0.214 0.000 0.818 153 L CB 2.178 44.147 42.059 -0.149 0.000 1.310 153 L HN 0.607 nan 8.230 nan 0.000 0.416 154 V N 4.853 124.592 119.914 -0.291 0.000 2.483 154 V HA 0.592 4.712 4.120 0.001 0.000 0.297 154 V C -0.182 175.872 176.094 -0.067 0.000 1.027 154 V CA -0.736 61.438 62.300 -0.211 0.000 0.855 154 V CB 1.655 33.463 31.823 -0.026 0.000 0.995 154 V HN 0.703 nan 8.190 nan 0.000 0.424 155 R N 2.518 123.041 120.500 0.038 0.000 2.457 155 R HA 0.837 5.177 4.340 0.001 0.000 0.284 155 R C 0.286 176.732 176.300 0.245 0.000 1.024 155 R CA -0.178 55.978 56.100 0.093 0.000 1.025 155 R CB 1.849 32.178 30.300 0.049 0.000 1.063 155 R HN 1.025 nan 8.270 nan 0.000 0.493 156 G N -1.171 107.795 108.800 0.276 0.000 2.350 156 G HA2 0.290 4.250 3.960 0.001 0.000 0.304 156 G HA3 0.290 4.250 3.960 0.001 0.000 0.304 156 G C 0.063 175.088 174.900 0.209 0.000 1.421 156 G CA -0.154 45.074 45.100 0.213 0.000 0.934 156 G HN 0.758 nan 8.290 nan 0.000 0.632 157 G N -0.225 108.605 108.800 0.050 0.000 2.321 157 G HA2 -0.028 3.933 3.960 0.001 0.000 0.287 157 G HA3 -0.028 3.933 3.960 0.001 0.000 0.287 157 G C 0.957 175.910 174.900 0.088 0.000 1.018 157 G CA 1.236 46.369 45.100 0.055 0.000 0.855 157 G HN 2.069 nan 8.290 nan 0.000 0.507 158 M N -2.559 117.087 119.600 0.076 0.000 2.347 158 M HA -0.225 4.256 4.480 0.001 0.000 0.198 158 M C 0.604 176.930 176.300 0.045 0.000 0.549 158 M CA 1.897 57.230 55.300 0.054 0.000 0.481 158 M CB -1.684 30.939 32.600 0.039 0.000 1.393 158 M HN 1.418 nan 8.290 nan 0.000 0.905 159 R N -1.465 119.067 120.500 0.054 0.000 3.110 159 R HA 0.822 5.162 4.340 0.001 0.000 0.287 159 R C -2.001 174.287 176.300 -0.020 0.000 0.969 159 R CA -0.600 55.501 56.100 0.003 0.000 0.828 159 R CB 0.815 31.109 30.300 -0.009 0.000 1.354 159 R HN 0.499 nan 8.270 nan 0.000 0.524 160 A N 1.240 123.990 122.820 -0.118 0.000 2.335 160 A HA 0.664 4.985 4.320 0.001 0.000 0.304 160 A C -0.876 176.502 177.584 -0.344 0.000 1.118 160 A CA -0.753 51.167 52.037 -0.195 0.000 0.757 160 A CB 1.758 20.666 19.000 -0.153 0.000 1.188 160 A HN 0.398 nan 8.150 nan 0.000 0.460 161 V N 2.296 121.872 119.914 -0.563 0.000 2.539 161 V HA 0.371 4.491 4.120 0.001 0.000 0.292 161 V C 0.118 175.751 176.094 -0.767 0.000 1.045 161 V CA -0.446 61.399 62.300 -0.759 0.000 0.945 161 V CB 1.568 32.697 31.823 -1.158 0.000 0.993 161 V HN 0.941 nan 8.190 nan 0.000 0.464 162 E N 2.884 122.627 120.200 -0.761 0.000 2.166 162 E HA 0.563 4.913 4.350 0.001 0.000 0.275 162 E C -1.652 174.427 176.600 -0.870 0.000 0.941 162 E CA -0.358 55.647 56.400 -0.658 0.000 0.784 162 E CB 1.860 31.318 29.700 -0.404 0.000 1.115 162 E HN 0.479 nan 8.360 nan 0.000 0.399 163 F N 1.766 121.278 119.950 -0.729 0.000 2.520 163 F HA 0.363 4.891 4.527 0.001 0.000 0.322 163 F C 0.196 175.614 175.800 -0.638 0.000 1.103 163 F CA -0.927 56.621 58.000 -0.754 0.000 0.926 163 F CB 1.724 40.061 39.000 -1.104 0.000 1.154 163 F HN 0.185 nan 8.300 nan 0.000 0.453 164 K N 1.835 122.193 120.400 -0.070 0.000 2.159 164 K HA 0.640 4.960 4.320 0.001 0.000 0.266 164 K C -1.345 175.338 176.600 0.139 0.000 0.975 164 K CA -0.536 55.761 56.287 0.017 0.000 0.865 164 K CB 1.427 33.922 32.500 -0.009 0.000 1.087 164 K HN 0.482 nan 8.250 nan 0.000 0.446 165 V N 6.278 126.335 119.914 0.238 0.000 2.313 165 V HA 0.004 4.124 4.120 0.001 0.000 0.252 165 V C 1.083 177.239 176.094 0.104 0.000 1.112 165 V CA -0.228 62.212 62.300 0.233 0.000 0.984 165 V CB 0.593 32.579 31.823 0.271 0.000 1.157 165 V HN 0.765 nan 8.190 nan 0.000 0.493 166 V N 3.035 122.969 119.914 0.034 0.000 2.490 166 V HA -0.040 4.080 4.120 0.001 0.000 0.250 166 V C 0.836 176.950 176.094 0.033 0.000 1.061 166 V CA 1.484 63.781 62.300 -0.005 0.000 1.064 166 V CB -0.327 31.423 31.823 -0.122 0.000 0.670 166 V HN 0.904 nan 8.190 nan 0.000 0.461 167 E N -0.709 119.524 120.200 0.054 0.000 2.388 167 E HA 0.432 4.782 4.350 0.001 0.000 0.282 167 E C -0.842 175.769 176.600 0.019 0.000 1.026 167 E CA -0.196 56.231 56.400 0.046 0.000 0.820 167 E CB 1.801 31.539 29.700 0.064 0.000 1.226 167 E HN 0.209 nan 8.360 nan 0.000 0.432 168 T N 0.868 115.417 114.554 -0.009 0.000 2.879 168 T HA 0.327 4.677 4.350 0.001 0.000 0.290 168 T C 0.509 175.176 174.700 -0.055 0.000 0.993 168 T CA -0.702 61.374 62.100 -0.040 0.000 0.975 168 T CB 1.552 70.405 68.868 -0.024 0.000 0.981 168 T HN 0.419 nan 8.240 nan 0.000 0.439 169 D N 2.612 122.967 120.400 -0.075 0.000 2.137 169 D HA -0.062 4.578 4.640 0.001 0.000 0.189 169 D C -1.510 174.752 176.300 -0.063 0.000 0.998 169 D CA 1.210 55.167 54.000 -0.072 0.000 0.839 169 D CB -1.096 39.659 40.800 -0.076 0.000 0.962 169 D HN 0.460 nan 8.370 nan 0.000 0.446 170 P HA 0.175 nan 4.420 nan 0.000 0.274 170 P C -0.952 176.283 177.300 -0.109 0.000 1.291 170 P CA -0.035 63.022 63.100 -0.072 0.000 0.815 170 P CB 1.195 32.868 31.700 -0.046 0.000 0.897 171 S N 4.705 120.330 115.700 -0.125 0.000 2.584 171 S HA 0.323 4.793 4.470 0.001 0.000 0.273 171 S C -0.985 173.441 174.600 -0.291 0.000 1.311 171 S CA -0.738 57.371 58.200 -0.152 0.000 1.034 171 S CB 0.421 63.562 63.200 -0.099 0.000 0.939 171 S HN 0.451 nan 8.310 nan 0.000 0.513 172 P HA 0.201 nan 4.420 nan 0.000 0.267 172 P C -0.988 176.266 177.300 -0.077 0.000 1.289 172 P CA 0.225 63.222 63.100 -0.171 0.000 0.866 172 P CB 0.190 31.843 31.700 -0.077 0.000 1.309 173 Y N -0.251 120.056 120.300 0.012 0.000 2.553 173 Y HA 0.662 5.212 4.550 0.001 0.000 0.347 173 Y C -0.386 175.519 175.900 0.008 0.000 1.019 173 Y CA -2.143 55.965 58.100 0.013 0.000 1.032 173 Y CB 0.595 39.069 38.460 0.022 0.000 1.284 173 Y HN 0.069 nan 8.280 nan 0.000 0.466 174 C N 1.385 120.812 119.300 0.211 0.000 3.318 174 C HA 0.834 5.295 4.460 0.001 0.000 0.322 174 C C -1.105 173.939 174.990 0.089 0.000 1.398 174 C CA -1.163 57.936 59.018 0.136 0.000 1.339 174 C CB 1.013 28.777 27.740 0.039 0.000 1.668 174 C HN 1.008 nan 8.230 nan 0.000 0.462 175 I N 1.961 122.580 120.570 0.082 0.000 2.385 175 I HA 0.415 4.585 4.170 0.001 0.000 0.294 175 I C -0.174 175.882 176.117 -0.102 0.000 0.988 175 I CA -0.588 60.726 61.300 0.023 0.000 1.265 175 I CB 1.893 39.947 38.000 0.089 0.000 1.388 175 I HN 0.571 nan 8.210 nan 0.000 0.480 176 V N 6.633 126.446 119.914 -0.168 0.000 2.356 176 V HA 0.360 4.480 4.120 0.001 0.000 0.258 176 V C 0.673 176.592 176.094 -0.292 0.000 1.065 176 V CA -0.287 61.836 62.300 -0.295 0.000 0.935 176 V CB 0.394 31.908 31.823 -0.516 0.000 1.061 176 V HN 0.830 nan 8.190 nan 0.000 0.484 177 A N 8.024 130.638 122.820 -0.343 0.000 2.256 177 A HA 0.743 5.063 4.320 0.001 0.000 0.318 177 A C -0.882 176.535 177.584 -0.278 0.000 1.103 177 A CA -1.653 50.142 52.037 -0.404 0.000 0.860 177 A CB 0.607 19.196 19.000 -0.685 0.000 1.182 177 A HN 0.583 nan 8.150 nan 0.000 0.501 178 P HA -0.141 nan 4.420 nan 0.000 0.223 178 P C -0.167 177.093 177.300 -0.066 0.000 1.144 178 P CA 1.532 64.544 63.100 -0.145 0.000 0.783 178 P CB 0.026 31.659 31.700 -0.112 0.000 0.771 179 D N -1.449 118.923 120.400 -0.047 0.000 2.368 179 D HA 0.051 4.692 4.640 0.001 0.000 0.218 179 D C 0.133 176.417 176.300 -0.027 0.000 1.112 179 D CA 0.237 54.231 54.000 -0.009 0.000 0.834 179 D CB -0.182 40.639 40.800 0.034 0.000 0.953 179 D HN 0.043 nan 8.370 nan 0.000 0.505 180 T N 0.768 115.275 114.554 -0.080 0.000 2.869 180 T HA 0.263 4.614 4.350 0.001 0.000 0.295 180 T C 0.274 174.922 174.700 -0.086 0.000 0.987 180 T CA -0.418 61.621 62.100 -0.102 0.000 1.109 180 T CB 1.508 70.262 68.868 -0.190 0.000 0.932 180 T HN -0.211 nan 8.240 nan 0.000 0.518 181 V N 5.381 125.267 119.914 -0.047 0.000 2.432 181 V HA 0.373 4.494 4.120 0.001 0.000 0.275 181 V C 0.249 176.355 176.094 0.020 0.000 1.043 181 V CA -0.612 61.700 62.300 0.021 0.000 0.925 181 V CB 0.634 32.545 31.823 0.147 0.000 0.985 181 V HN 0.742 nan 8.190 nan 0.000 0.466 182 I N 5.254 125.785 120.570 -0.066 0.000 2.330 182 I HA 0.426 4.597 4.170 0.001 0.000 0.289 182 I C -0.001 176.080 176.117 -0.060 0.000 1.001 182 I CA -0.301 60.906 61.300 -0.155 0.000 1.193 182 I CB 0.649 38.387 38.000 -0.438 0.000 1.345 182 I HN 0.634 nan 8.210 nan 0.000 0.461 183 H N 5.061 124.035 119.070 -0.160 0.000 2.457 183 H HA 0.368 4.925 4.556 0.001 0.000 0.335 183 H C -0.822 174.552 175.328 0.078 0.000 1.115 183 H CA -0.905 55.097 56.048 -0.076 0.000 1.219 183 H CB 2.041 31.735 29.762 -0.113 0.000 1.471 183 H HN 0.574 nan 8.280 nan 0.000 0.491 184 C N 3.136 122.531 119.300 0.158 0.000 2.955 184 C HA 0.184 4.644 4.460 0.001 0.000 0.262 184 C C 0.181 175.304 174.990 0.222 0.000 1.279 184 C CA -0.941 58.179 59.018 0.169 0.000 1.615 184 C CB -1.464 26.336 27.740 0.100 0.000 1.755 184 C HN 0.766 nan 8.230 nan 0.000 0.452 185 E N 1.620 122.062 120.200 0.403 0.000 1.993 185 E HA 0.552 4.903 4.350 0.001 0.000 0.271 185 E C 0.684 177.438 176.600 0.258 0.000 1.008 185 E CA 0.329 56.904 56.400 0.293 0.000 0.814 185 E CB 0.717 30.523 29.700 0.176 0.000 1.098 185 E HN 0.882 nan 8.360 nan 0.000 0.407 186 G N 2.224 111.116 108.800 0.153 0.000 2.408 186 G HA2 -0.146 3.814 3.960 0.001 0.000 0.682 186 G HA3 -0.146 3.814 3.960 0.001 0.000 0.682 186 G C -0.948 174.000 174.900 0.080 0.000 1.303 186 G CA -1.155 44.010 45.100 0.109 0.000 0.966 186 G HN 0.321 nan 8.290 nan 0.000 0.560 187 E N 0.569 120.803 120.200 0.056 0.000 2.415 187 E HA 0.299 4.649 4.350 0.001 0.000 0.262 187 E C -1.875 174.739 176.600 0.023 0.000 1.038 187 E CA -0.769 55.653 56.400 0.036 0.000 0.921 187 E CB 0.296 30.011 29.700 0.025 0.000 0.950 187 E HN 0.279 nan 8.360 nan 0.000 0.438 188 P HA 0.071 nan 4.420 nan 0.000 0.270 188 P C -0.011 177.274 177.300 -0.025 0.000 1.223 188 P CA -0.183 62.909 63.100 -0.013 0.000 0.785 188 P CB 0.438 32.115 31.700 -0.038 0.000 0.923 189 I N -1.405 119.142 120.570 -0.039 0.000 2.783 189 I HA 0.505 4.676 4.170 0.001 0.000 0.312 189 I C -0.035 176.053 176.117 -0.047 0.000 0.988 189 I CA -1.222 60.056 61.300 -0.037 0.000 1.182 189 I CB 1.409 39.386 38.000 -0.037 0.000 1.368 189 I HN 0.207 nan 8.210 nan 0.000 0.511 190 K N 2.879 123.256 120.400 -0.038 0.000 2.118 190 K HA 0.333 4.653 4.320 0.001 0.000 0.240 190 K C -0.237 176.334 176.600 -0.047 0.000 1.035 190 K CA -0.487 55.776 56.287 -0.041 0.000 0.899 190 K CB 0.397 32.879 32.500 -0.030 0.000 1.085 190 K HN 0.710 nan 8.250 nan 0.000 0.498 191 R N 0.579 121.049 120.500 -0.049 0.000 2.265 191 R HA 0.109 4.450 4.340 0.001 0.000 0.319 191 R C -0.783 175.495 176.300 -0.037 0.000 1.006 191 R CA -0.268 55.801 56.100 -0.051 0.000 0.880 191 R CB 0.650 30.914 30.300 -0.060 0.000 1.077 191 R HN 0.742 nan 8.270 nan 0.000 0.454 192 E N 2.893 123.074 120.200 -0.032 0.000 2.344 192 E HA -0.070 4.280 4.350 0.001 0.000 0.270 192 E C 0.483 177.070 176.600 -0.021 0.000 1.021 192 E CA -0.165 56.222 56.400 -0.022 0.000 0.887 192 E CB 0.901 30.590 29.700 -0.017 0.000 0.997 192 E HN 0.690 nan 8.360 nan 0.000 0.429 193 D N 3.611 124.001 120.400 -0.016 0.000 2.218 193 D HA -0.313 4.328 4.640 0.001 0.000 0.194 193 D C 1.046 177.338 176.300 -0.013 0.000 1.007 193 D CA 1.928 55.920 54.000 -0.013 0.000 0.879 193 D CB -0.244 40.551 40.800 -0.008 0.000 0.918 193 D HN 0.711 nan 8.370 nan 0.000 0.449 194 E N -0.069 120.123 120.200 -0.012 0.000 2.445 194 E HA 0.073 4.423 4.350 0.001 0.000 0.189 194 E C -0.200 176.390 176.600 -0.017 0.000 1.069 194 E CA -0.169 56.224 56.400 -0.012 0.000 0.871 194 E CB -0.295 29.401 29.700 -0.007 0.000 0.991 194 E HN 0.326 nan 8.360 nan 0.000 0.481 195 E N 2.379 122.564 120.200 -0.024 0.000 2.103 195 E HA 0.120 4.470 4.350 0.001 0.000 0.254 195 E C -0.838 175.735 176.600 -0.044 0.000 0.940 195 E CA -0.309 56.071 56.400 -0.032 0.000 0.771 195 E CB 0.748 30.426 29.700 -0.037 0.000 1.153 195 E HN 0.287 nan 8.360 nan 0.000 0.428 196 E N 1.376 121.549 120.200 -0.044 0.000 2.413 196 E HA 0.020 4.370 4.350 0.001 0.000 0.263 196 E C -0.002 176.555 176.600 -0.071 0.000 1.015 196 E CA 0.089 56.456 56.400 -0.056 0.000 0.916 196 E CB 0.936 30.602 29.700 -0.058 0.000 0.947 196 E HN 0.183 nan 8.360 nan 0.000 0.440 197 S N 2.094 117.745 115.700 -0.081 0.000 2.576 197 S HA 0.077 4.548 4.470 0.001 0.000 0.276 197 S C 0.852 175.391 174.600 -0.102 0.000 1.339 197 S CA -0.498 57.643 58.200 -0.098 0.000 1.039 197 S CB 0.371 63.511 63.200 -0.100 0.000 0.902 197 S HN 0.467 nan 8.310 nan 0.000 0.516 198 L N 4.209 125.365 121.223 -0.112 0.000 2.612 198 L HA 0.194 4.535 4.340 0.001 0.000 0.230 198 L C 2.037 178.839 176.870 -0.114 0.000 1.140 198 L CA 0.140 54.916 54.840 -0.107 0.000 0.896 198 L CB -0.435 41.562 42.059 -0.104 0.000 1.065 198 L HN 0.746 nan 8.230 nan 0.000 0.447 199 N N -0.024 118.605 118.700 -0.118 0.000 2.336 199 N HA -0.028 4.712 4.740 0.001 0.000 0.189 199 N C 0.209 175.651 175.510 -0.114 0.000 1.113 199 N CA -0.081 52.899 53.050 -0.117 0.000 0.858 199 N CB 0.613 39.030 38.487 -0.117 0.000 0.970 199 N HN 0.265 nan 8.380 nan 0.000 0.471 200 E N 0.853 120.983 120.200 -0.117 0.000 2.349 200 E HA 0.122 4.472 4.350 0.001 0.000 0.262 200 E C -0.188 176.326 176.600 -0.143 0.000 1.088 200 E CA -0.478 55.845 56.400 -0.129 0.000 0.899 200 E CB 2.191 31.814 29.700 -0.129 0.000 1.044 200 E HN -0.091 nan 8.360 nan 0.000 0.420 201 V N 1.087 120.901 119.914 -0.168 0.000 2.555 201 V HA 0.433 4.553 4.120 0.001 0.000 0.286 201 V C 0.716 176.691 176.094 -0.199 0.000 1.044 201 V CA 0.281 62.477 62.300 -0.173 0.000 1.026 201 V CB 0.974 32.676 31.823 -0.203 0.000 0.981 201 V HN 0.742 nan 8.190 nan 0.000 0.480 202 G N 2.319 111.018 108.800 -0.168 0.000 2.694 202 G HA2 0.468 4.428 3.960 0.001 0.000 0.290 202 G HA3 0.468 4.428 3.960 0.001 0.000 0.290 202 G C -0.341 174.502 174.900 -0.095 0.000 1.386 202 G CA -0.466 44.499 45.100 -0.225 0.000 0.872 202 G HN 0.415 nan 8.290 nan 0.000 0.475 203 Y N 0.499 120.765 120.300 -0.057 0.000 2.298 203 Y HA -0.151 4.399 4.550 0.001 0.000 0.287 203 Y C 2.535 178.417 175.900 -0.030 0.000 1.164 203 Y CA 1.515 59.590 58.100 -0.042 0.000 1.229 203 Y CB -0.277 38.165 38.460 -0.029 0.000 0.977 203 Y HN 0.621 nan 8.280 nan 0.000 0.538 204 D N -1.415 119.049 120.400 0.107 0.000 2.378 204 D HA -0.094 4.547 4.640 0.001 0.000 0.227 204 D C 0.676 176.995 176.300 0.032 0.000 1.012 204 D CA 0.701 54.737 54.000 0.060 0.000 0.905 204 D CB -0.355 40.464 40.800 0.032 0.000 0.895 204 D HN 0.252 nan 8.370 nan 0.000 0.532 205 D N -0.230 120.185 120.400 0.026 0.000 2.369 205 D HA 0.077 4.717 4.640 0.001 0.000 0.211 205 D C -0.138 176.190 176.300 0.047 0.000 1.077 205 D CA 0.055 54.060 54.000 0.007 0.000 0.842 205 D CB 1.316 42.093 40.800 -0.037 0.000 0.947 205 D HN 0.107 nan 8.370 nan 0.000 0.509 206 V N 0.871 120.822 119.914 0.060 0.000 2.398 206 V HA 0.656 4.776 4.120 0.001 0.000 0.286 206 V C 0.604 176.728 176.094 0.051 0.000 1.026 206 V CA -0.734 61.601 62.300 0.058 0.000 0.868 206 V CB 1.691 33.547 31.823 0.055 0.000 0.982 206 V HN 0.014 nan 8.190 nan 0.000 0.443 207 G N 2.030 110.860 108.800 0.050 0.000 2.495 207 G HA2 0.579 4.540 3.960 0.001 0.000 0.318 207 G HA3 0.579 4.540 3.960 0.001 0.000 0.318 207 G C 0.649 175.564 174.900 0.025 0.000 1.257 207 G CA -0.051 45.072 45.100 0.039 0.000 0.962 207 G HN 1.499 nan 8.290 nan 0.000 0.483 208 G N -0.809 108.001 108.800 0.016 0.000 2.159 208 G HA2 -0.269 3.692 3.960 0.001 0.000 0.256 208 G HA3 -0.269 3.692 3.960 0.001 0.000 0.256 208 G C 0.452 175.358 174.900 0.009 0.000 0.977 208 G CA 0.528 45.635 45.100 0.012 0.000 0.652 208 G HN 1.244 nan 8.290 nan 0.000 0.531 209 C N 2.018 121.321 119.300 0.004 0.000 3.075 209 C HA 0.437 4.898 4.460 0.001 0.000 0.262 209 C C 1.874 176.853 174.990 -0.020 0.000 1.371 209 C CA -0.432 58.584 59.018 -0.003 0.000 1.594 209 C CB -0.374 27.365 27.740 -0.002 0.000 1.849 209 C HN 0.624 nan 8.230 nan 0.000 0.475 210 R N 1.812 122.302 120.500 -0.015 0.000 2.052 210 R HA -0.022 4.318 4.340 0.001 0.000 0.226 210 R C 1.789 178.071 176.300 -0.030 0.000 1.145 210 R CA 1.145 57.229 56.100 -0.026 0.000 0.952 210 R CB -0.501 29.790 30.300 -0.014 0.000 0.847 210 R HN 0.492 nan 8.270 nan 0.000 0.431 211 K N 1.003 121.395 120.400 -0.014 0.000 2.057 211 K HA -0.134 4.187 4.320 0.001 0.000 0.207 211 K C 2.378 178.972 176.600 -0.011 0.000 1.049 211 K CA 1.775 58.057 56.287 -0.009 0.000 0.931 211 K CB 0.103 32.605 32.500 0.004 0.000 0.714 211 K HN 0.340 nan 8.250 nan 0.000 0.440 212 Q N 0.573 120.368 119.800 -0.007 0.000 2.079 212 Q HA -0.168 4.172 4.340 0.001 0.000 0.200 212 Q C 2.230 178.211 176.000 -0.030 0.000 0.974 212 Q CA 1.143 56.944 55.803 -0.003 0.000 0.840 212 Q CB -0.586 28.158 28.738 0.010 0.000 0.898 212 Q HN 0.362 nan 8.270 nan 0.000 0.430 213 L N 0.709 121.895 121.223 -0.062 0.000 2.191 213 L HA -0.114 4.226 4.340 0.001 0.000 0.212 213 L C 2.502 179.280 176.870 -0.153 0.000 1.103 213 L CA 0.918 55.679 54.840 -0.131 0.000 0.769 213 L CB -0.434 41.516 42.059 -0.182 0.000 0.908 213 L HN 0.267 nan 8.230 nan 0.000 0.438 214 A N -0.692 122.068 122.820 -0.100 0.000 1.873 214 A HA -0.230 4.091 4.320 0.001 0.000 0.215 214 A C 2.149 179.705 177.584 -0.046 0.000 1.186 214 A CA 1.298 53.287 52.037 -0.080 0.000 0.616 214 A CB -0.374 18.598 19.000 -0.047 0.000 0.823 214 A HN 0.448 nan 8.150 nan 0.000 0.442 215 Q N -0.409 119.377 119.800 -0.023 0.000 2.050 215 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 215 Q C 2.074 178.077 176.000 0.005 0.000 0.980 215 Q CA 1.597 57.402 55.803 0.002 0.000 0.840 215 Q CB -0.375 28.372 28.738 0.016 0.000 0.898 215 Q HN 0.741 nan 8.270 nan 0.000 0.424 216 I N 0.890 121.456 120.570 -0.008 0.000 2.208 216 I HA -0.318 3.852 4.170 0.001 0.000 0.245 216 I C 2.250 178.372 176.117 0.007 0.000 1.097 216 I CA 1.305 62.609 61.300 0.005 0.000 1.363 216 I CB -0.330 37.668 38.000 -0.003 0.000 1.051 216 I HN 0.165 nan 8.210 nan 0.000 0.413 217 K N 1.053 121.432 120.400 -0.035 0.000 1.991 217 K HA -0.232 4.088 4.320 0.001 0.000 0.212 217 K C 1.949 178.568 176.600 0.031 0.000 1.049 217 K CA 2.122 58.399 56.287 -0.017 0.000 0.932 217 K CB -0.361 32.086 32.500 -0.089 0.000 0.717 217 K HN 0.525 nan 8.250 nan 0.000 0.441 218 E N 0.686 120.901 120.200 0.025 0.000 2.333 218 E HA -0.168 4.183 4.350 0.001 0.000 0.198 218 E C 1.908 178.550 176.600 0.070 0.000 1.007 218 E CA 0.890 57.321 56.400 0.052 0.000 0.845 218 E CB -0.202 29.523 29.700 0.041 0.000 0.766 218 E HN 0.330 nan 8.360 nan 0.000 0.507 219 M N 1.241 120.876 119.600 0.059 0.000 2.193 219 M HA -0.087 4.393 4.480 0.001 0.000 0.265 219 M C 2.489 178.835 176.300 0.077 0.000 1.071 219 M CA 1.441 56.781 55.300 0.065 0.000 1.140 219 M CB -0.006 32.625 32.600 0.051 0.000 1.369 219 M HN 0.215 nan 8.290 nan 0.000 0.423 220 V N -2.641 117.319 119.914 0.077 0.000 3.235 220 V HA -0.022 4.098 4.120 0.001 0.000 0.259 220 V C 1.793 177.953 176.094 0.110 0.000 1.133 220 V CA 1.163 63.515 62.300 0.086 0.000 1.128 220 V CB -0.662 31.211 31.823 0.083 0.000 0.757 220 V HN 0.313 nan 8.190 nan 0.000 0.469 221 E N 1.950 122.217 120.200 0.111 0.000 2.082 221 E HA -0.277 4.073 4.350 0.001 0.000 0.215 221 E C 1.869 178.564 176.600 0.159 0.000 1.048 221 E CA 2.965 59.436 56.400 0.119 0.000 0.869 221 E CB -0.763 29.011 29.700 0.124 0.000 0.773 221 E HN 0.649 nan 8.360 nan 0.000 0.466 222 L N -0.068 121.304 121.223 0.249 0.000 2.044 222 L HA -0.045 4.295 4.340 0.001 0.000 0.205 222 L C -0.589 176.554 176.870 0.455 0.000 1.075 222 L CA 1.265 56.322 54.840 0.363 0.000 0.747 222 L CB -1.449 40.824 42.059 0.357 0.000 0.903 222 L HN 0.270 nan 8.230 nan 0.000 0.435 223 P HA -0.156 nan 4.420 nan 0.000 0.217 223 P C 1.666 179.116 177.300 0.249 0.000 1.150 223 P CA 1.275 64.598 63.100 0.371 0.000 0.832 223 P CB 0.146 31.876 31.700 0.050 0.000 0.787 224 L N -1.538 119.778 121.223 0.155 0.000 2.298 224 L HA 0.107 4.448 4.340 0.001 0.000 0.209 224 L C 2.314 179.191 176.870 0.012 0.000 1.084 224 L CA 1.483 56.375 54.840 0.088 0.000 0.816 224 L CB -0.642 41.462 42.059 0.076 0.000 0.967 224 L HN -0.199 nan 8.230 nan 0.000 0.460 225 R N -1.374 119.091 120.500 -0.059 0.000 2.206 225 R HA 0.203 4.543 4.340 0.001 0.000 0.198 225 R C 0.171 176.172 176.300 -0.498 0.000 0.986 225 R CA 0.459 56.380 56.100 -0.298 0.000 1.029 225 R CB -0.053 29.984 30.300 -0.438 0.000 0.966 225 R HN 0.350 nan 8.270 nan 0.000 0.487 226 H N -0.250 118.872 119.070 0.088 0.000 2.471 226 H HA 0.284 4.840 4.556 0.001 0.000 0.234 226 H C -1.889 173.495 175.328 0.093 0.000 1.388 226 H CA -2.127 53.953 56.048 0.053 0.000 1.198 226 H CB 1.095 30.863 29.762 0.010 0.000 1.714 226 H HN -0.081 nan 8.280 nan 0.000 0.536 227 P HA -0.212 nan 4.420 nan 0.000 0.213 227 P C 1.754 179.193 177.300 0.233 0.000 1.176 227 P CA 2.159 65.376 63.100 0.194 0.000 0.919 227 P CB 0.213 31.807 31.700 -0.177 0.000 0.791 228 A N -1.337 121.543 122.820 0.100 0.000 2.148 228 A HA -0.232 4.089 4.320 0.001 0.000 0.222 228 A C 2.052 179.685 177.584 0.081 0.000 1.161 228 A CA 1.502 53.598 52.037 0.098 0.000 0.662 228 A CB -1.627 17.402 19.000 0.048 0.000 0.799 228 A HN 0.158 nan 8.150 nan 0.000 0.466 229 L N -1.186 120.057 121.223 0.034 0.000 1.948 229 L HA -0.039 4.301 4.340 0.001 0.000 0.212 229 L C 1.705 178.484 176.870 -0.152 0.000 1.074 229 L CA 1.938 56.693 54.840 -0.142 0.000 0.753 229 L CB -0.921 40.932 42.059 -0.344 0.000 0.888 229 L HN 0.334 nan 8.230 nan 0.000 0.432 230 F N 0.345 120.361 119.950 0.109 0.000 2.704 230 F HA -0.102 4.425 4.527 0.001 0.000 0.297 230 F C 2.164 178.003 175.800 0.064 0.000 1.305 230 F CA 0.924 58.969 58.000 0.076 0.000 1.461 230 F CB -0.940 38.100 39.000 0.066 0.000 1.115 230 F HN 0.262 nan 8.300 nan 0.000 0.580 231 K N -0.011 120.489 120.400 0.166 0.000 2.350 231 K HA 0.277 4.598 4.320 0.001 0.000 0.196 231 K C 1.639 178.282 176.600 0.072 0.000 1.084 231 K CA 0.736 57.101 56.287 0.129 0.000 0.967 231 K CB 0.235 32.816 32.500 0.136 0.000 0.950 231 K HN 0.118 nan 8.250 nan 0.000 0.512 232 A N 1.195 124.038 122.820 0.039 0.000 2.503 232 A HA 0.321 4.642 4.320 0.001 0.000 0.263 232 A C -0.144 177.442 177.584 0.004 0.000 1.258 232 A CA -0.344 51.703 52.037 0.016 0.000 0.936 232 A CB 0.351 19.351 19.000 -0.001 0.000 1.070 232 A HN 0.099 nan 8.150 nan 0.000 0.522 233 I N -1.301 119.279 120.570 0.016 0.000 2.689 233 I HA 0.391 4.561 4.170 0.001 0.000 0.299 233 I C 1.290 177.454 176.117 0.078 0.000 1.059 233 I CA -0.302 61.008 61.300 0.017 0.000 1.055 233 I CB 1.479 39.444 38.000 -0.058 0.000 1.243 233 I HN 0.085 nan 8.210 nan 0.000 0.425 234 G N 3.976 112.815 108.800 0.066 0.000 2.838 234 G HA2 0.153 4.114 3.960 0.001 0.000 0.210 234 G HA3 0.153 4.114 3.960 0.001 0.000 0.210 234 G C 0.534 175.496 174.900 0.104 0.000 1.153 234 G CA 0.141 45.286 45.100 0.075 0.000 0.778 234 G HN 0.351 nan 8.290 nan 0.000 0.539 235 V N 0.525 120.522 119.914 0.137 0.000 2.901 235 V HA 0.111 4.231 4.120 0.001 0.000 0.307 235 V C 0.483 176.718 176.094 0.234 0.000 1.084 235 V CA 0.035 62.441 62.300 0.177 0.000 1.184 235 V CB 1.279 33.225 31.823 0.205 0.000 0.941 235 V HN 0.260 nan 8.190 nan 0.000 0.493 236 K N 6.450 126.931 120.400 0.134 0.000 2.316 236 K HA 0.421 4.741 4.320 0.001 0.000 0.267 236 K C -2.286 174.292 176.600 -0.038 0.000 1.025 236 K CA -1.584 54.719 56.287 0.027 0.000 0.896 236 K CB 1.354 33.860 32.500 0.010 0.000 1.124 236 K HN 0.559 nan 8.250 nan 0.000 0.451 237 P HA 0.288 nan 4.420 nan 0.000 0.275 237 P C -2.718 174.463 177.300 -0.198 0.000 1.266 237 P CA -1.482 61.412 63.100 -0.343 0.000 0.793 237 P CB 0.057 31.130 31.700 -1.046 0.000 1.074 238 P HA 0.320 nan 4.420 nan 0.000 0.275 238 P C 0.639 177.873 177.300 -0.112 0.000 1.228 238 P CA -0.108 62.948 63.100 -0.073 0.000 0.786 238 P CB 0.998 32.685 31.700 -0.021 0.000 0.927 239 R N 1.061 121.493 120.500 -0.113 0.000 2.207 239 R HA 0.275 4.615 4.340 0.001 0.000 0.184 239 R C 0.920 177.107 176.300 -0.188 0.000 1.280 239 R CA 0.134 56.146 56.100 -0.147 0.000 1.166 239 R CB -0.310 29.896 30.300 -0.157 0.000 1.116 239 R HN 0.538 nan 8.270 nan 0.000 0.494 240 G N 1.471 110.098 108.800 -0.290 0.000 2.377 240 G HA2 0.475 4.436 3.960 0.001 0.000 0.299 240 G HA3 0.475 4.436 3.960 0.001 0.000 0.299 240 G C -1.007 173.856 174.900 -0.061 0.000 1.150 240 G CA -0.266 44.553 45.100 -0.468 0.000 0.847 240 G HN 0.236 nan 8.290 nan 0.000 0.501 241 I N 1.533 122.200 120.570 0.162 0.000 2.500 241 I HA 0.541 4.711 4.170 0.001 0.000 0.286 241 I C -1.539 174.723 176.117 0.242 0.000 1.063 241 I CA -1.067 60.342 61.300 0.182 0.000 1.062 241 I CB 1.844 39.909 38.000 0.108 0.000 1.223 241 I HN 0.297 nan 8.210 nan 0.000 0.435 242 L N 7.557 128.839 121.223 0.098 0.000 2.292 242 L HA 0.552 4.893 4.340 0.001 0.000 0.284 242 L C -0.981 175.689 176.870 -0.333 0.000 1.065 242 L CA -0.183 54.533 54.840 -0.206 0.000 0.806 242 L CB 1.246 43.062 42.059 -0.405 0.000 1.175 242 L HN 0.590 nan 8.230 nan 0.000 0.431 243 L N 5.855 126.883 121.223 -0.325 0.000 2.298 243 L HA 0.417 4.758 4.340 0.001 0.000 0.284 243 L C -0.960 175.756 176.870 -0.257 0.000 1.013 243 L CA -0.194 54.531 54.840 -0.191 0.000 0.824 243 L CB 0.916 42.995 42.059 0.034 0.000 1.221 243 L HN 0.336 nan 8.230 nan 0.000 0.418 244 Y N 1.818 122.137 120.300 0.032 0.000 2.342 244 Y HA 0.820 5.371 4.550 0.000 0.000 0.334 244 Y C 0.854 176.767 175.900 0.022 0.000 1.067 244 Y CA -0.901 57.207 58.100 0.015 0.000 1.128 244 Y CB 2.117 40.581 38.460 0.006 0.000 1.200 244 Y HN 0.622 nan 8.280 nan 0.000 0.464 245 G N 3.162 112.084 108.800 0.202 0.000 2.361 245 G HA2 0.313 4.273 3.960 0.001 0.000 0.299 245 G HA3 0.313 4.273 3.960 0.001 0.000 0.299 245 G C -3.422 171.527 174.900 0.082 0.000 1.544 245 G CA -1.215 43.955 45.100 0.116 0.000 0.860 245 G HN 0.279 nan 8.290 nan 0.000 0.610 246 P HA 0.372 nan 4.420 nan 0.000 0.275 246 P C -2.690 174.632 177.300 0.037 0.000 1.266 246 P CA -1.198 61.925 63.100 0.038 0.000 0.793 246 P CB 0.013 31.728 31.700 0.024 0.000 1.074 247 P HA 0.072 nan 4.420 nan 0.000 0.269 247 P C 0.909 178.222 177.300 0.021 0.000 1.209 247 P CA 1.272 64.387 63.100 0.025 0.000 0.776 247 P CB -0.274 31.433 31.700 0.013 0.000 0.876 248 G N 1.527 110.343 108.800 0.027 0.000 2.148 248 G HA2 -0.294 3.666 3.960 0.001 0.000 0.254 248 G HA3 -0.294 3.666 3.960 0.001 0.000 0.254 248 G C 1.101 176.014 174.900 0.022 0.000 0.981 248 G CA 0.631 45.743 45.100 0.019 0.000 0.670 248 G HN 0.502 nan 8.290 nan 0.000 0.528 249 T N -0.044 114.530 114.554 0.033 0.000 3.035 249 T HA 0.342 4.692 4.350 0.001 0.000 0.268 249 T C 2.066 176.785 174.700 0.032 0.000 1.109 249 T CA 2.142 64.263 62.100 0.035 0.000 1.119 249 T CB -0.332 68.565 68.868 0.048 0.000 0.900 249 T HN 2.088 nan 8.240 nan 0.000 0.503 250 G N 1.432 110.251 108.800 0.033 0.000 2.141 250 G HA2 -0.206 3.754 3.960 0.001 0.000 0.195 250 G HA3 -0.206 3.754 3.960 0.001 0.000 0.195 250 G C 0.715 175.617 174.900 0.004 0.000 1.012 250 G CA 0.283 45.395 45.100 0.019 0.000 0.696 250 G HN 0.469 nan 8.290 nan 0.000 0.508 251 K N -0.543 119.879 120.400 0.036 0.000 2.167 251 K HA 0.030 4.351 4.320 0.001 0.000 0.203 251 K C 2.396 178.926 176.600 -0.116 0.000 1.052 251 K CA 1.501 57.812 56.287 0.041 0.000 0.956 251 K CB -0.071 32.529 32.500 0.168 0.000 0.735 251 K HN 0.316 nan 8.250 nan 0.000 0.451 252 T N 2.126 116.625 114.554 -0.092 0.000 2.896 252 T HA -0.020 4.331 4.350 0.001 0.000 0.263 252 T C 1.739 176.231 174.700 -0.347 0.000 1.050 252 T CA 0.489 62.389 62.100 -0.332 0.000 1.140 252 T CB -0.046 68.834 68.868 0.019 0.000 0.877 252 T HN 0.148 nan 8.240 nan 0.000 0.457 253 L N 0.571 121.687 121.223 -0.178 0.000 2.046 253 L HA -0.054 4.287 4.340 0.001 0.000 0.208 253 L C 2.258 179.023 176.870 -0.176 0.000 1.077 253 L CA 1.509 56.258 54.840 -0.152 0.000 0.747 253 L CB -0.286 41.738 42.059 -0.058 0.000 0.896 253 L HN 0.278 nan 8.230 nan 0.000 0.432 254 I N -0.249 120.234 120.570 -0.144 0.000 2.163 254 I HA -0.264 3.906 4.170 0.001 0.000 0.240 254 I C 2.742 178.768 176.117 -0.151 0.000 1.081 254 I CA 1.157 62.401 61.300 -0.092 0.000 1.353 254 I CB -0.473 37.498 38.000 -0.048 0.000 1.054 254 I HN 0.287 nan 8.210 nan 0.000 0.407 255 A N 0.443 123.085 122.820 -0.297 0.000 1.972 255 A HA -0.231 4.089 4.320 0.001 0.000 0.219 255 A C 2.422 179.772 177.584 -0.391 0.000 1.169 255 A CA 1.585 53.449 52.037 -0.288 0.000 0.635 255 A CB -0.582 18.072 19.000 -0.576 0.000 0.810 255 A HN 0.343 nan 8.150 nan 0.000 0.446 256 R N -0.704 119.399 120.500 -0.662 0.000 2.062 256 R HA 0.023 4.364 4.340 0.001 0.000 0.226 256 R C 2.430 178.393 176.300 -0.561 0.000 1.125 256 R CA 1.169 56.652 56.100 -1.028 0.000 0.966 256 R CB -0.378 29.378 30.300 -0.907 0.000 0.861 256 R HN 0.421 nan 8.270 nan 0.000 0.433 257 A N 0.528 123.144 122.820 -0.341 0.000 1.883 257 A HA -0.154 4.166 4.320 0.001 0.000 0.217 257 A C 2.255 179.697 177.584 -0.237 0.000 1.186 257 A CA 1.855 53.740 52.037 -0.253 0.000 0.624 257 A CB -0.840 18.106 19.000 -0.090 0.000 0.822 257 A HN 0.223 nan 8.150 nan 0.000 0.444 258 V N -0.067 119.839 119.914 -0.013 0.000 2.252 258 V HA -0.335 3.785 4.120 0.001 0.000 0.249 258 V C 3.061 179.137 176.094 -0.030 0.000 1.056 258 V CA 2.284 64.659 62.300 0.126 0.000 1.022 258 V CB -1.473 30.436 31.823 0.143 0.000 0.641 258 V HN 0.674 nan 8.190 nan 0.000 0.445 259 A N 0.375 123.143 122.820 -0.086 0.000 1.851 259 A HA -0.286 4.035 4.320 0.001 0.000 0.216 259 A C 2.083 179.606 177.584 -0.101 0.000 1.195 259 A CA 2.337 54.345 52.037 -0.049 0.000 0.622 259 A CB -0.886 18.095 19.000 -0.031 0.000 0.831 259 A HN 0.600 nan 8.150 nan 0.000 0.444 260 N N -0.284 118.297 118.700 -0.199 0.000 2.011 260 N HA -0.211 4.529 4.740 0.001 0.000 0.199 260 N C 1.684 177.078 175.510 -0.194 0.000 1.047 260 N CA 1.855 54.791 53.050 -0.189 0.000 0.863 260 N CB -0.746 37.597 38.487 -0.240 0.000 1.056 260 N HN 0.590 nan 8.380 nan 0.000 0.427 261 E N -0.297 119.712 120.200 -0.319 0.000 2.147 261 E HA -0.153 4.197 4.350 0.001 0.000 0.199 261 E C 1.637 178.132 176.600 -0.176 0.000 1.005 261 E CA 1.899 58.066 56.400 -0.389 0.000 0.810 261 E CB -0.311 28.812 29.700 -0.961 0.000 0.736 261 E HN 0.636 nan 8.360 nan 0.000 0.460 262 T N -4.222 110.277 114.554 -0.091 0.000 3.081 262 T HA 0.234 4.585 4.350 0.001 0.000 0.250 262 T C 1.415 176.103 174.700 -0.019 0.000 1.100 262 T CA 0.420 62.510 62.100 -0.018 0.000 1.038 262 T CB 0.232 69.119 68.868 0.033 0.000 0.962 262 T HN 0.296 nan 8.240 nan 0.000 0.516 263 G N 1.215 109.995 108.800 -0.033 0.000 2.176 263 G HA2 0.014 3.975 3.960 0.001 0.000 0.252 263 G HA3 0.014 3.975 3.960 0.001 0.000 0.252 263 G C 0.162 175.084 174.900 0.037 0.000 1.024 263 G CA -0.082 45.013 45.100 -0.008 0.000 0.755 263 G HN 1.166 nan 8.290 nan 0.000 0.507 264 A N -0.550 122.303 122.820 0.056 0.000 2.295 264 A HA 0.774 5.094 4.320 0.001 0.000 0.318 264 A C -0.007 177.689 177.584 0.187 0.000 1.134 264 A CA -0.631 51.476 52.037 0.118 0.000 0.827 264 A CB 0.824 19.892 19.000 0.113 0.000 1.136 264 A HN 1.364 nan 8.150 nan 0.000 0.493 265 F N 1.620 121.619 119.950 0.081 0.000 2.538 265 F HA 0.439 4.967 4.527 0.000 0.000 0.371 265 F C -0.609 175.305 175.800 0.189 0.000 1.087 265 F CA -0.497 57.569 58.000 0.111 0.000 1.250 265 F CB 0.194 39.246 39.000 0.087 0.000 1.110 265 F HN 0.405 nan 8.300 nan 0.000 0.570 266 F N 8.619 128.186 119.950 -0.638 0.000 2.426 266 F HA 0.462 4.989 4.527 0.001 0.000 0.348 266 F C -1.812 173.553 175.800 -0.725 0.000 1.124 266 F CA -1.136 56.566 58.000 -0.497 0.000 1.008 266 F CB 0.630 39.458 39.000 -0.286 0.000 1.139 266 F HN 0.372 nan 8.300 nan 0.000 0.452 267 F N 7.570 126.846 119.950 -1.123 0.000 2.482 267 F HA 0.634 5.162 4.527 0.001 0.000 0.331 267 F C -1.820 173.459 175.800 -0.869 0.000 1.115 267 F CA -1.190 56.306 58.000 -0.839 0.000 0.955 267 F CB 1.431 40.174 39.000 -0.428 0.000 1.136 267 F HN 0.423 nan 8.300 nan 0.000 0.452 268 L N 6.790 127.681 121.223 -0.554 0.000 2.317 268 L HA 0.662 5.002 4.340 0.001 0.000 0.281 268 L C -1.298 175.622 176.870 0.085 0.000 1.024 268 L CA -0.348 54.358 54.840 -0.224 0.000 0.810 268 L CB 1.228 43.200 42.059 -0.145 0.000 1.240 268 L HN 0.539 nan 8.230 nan 0.000 0.427 269 I N 5.150 125.766 120.570 0.076 0.000 2.468 269 I HA 0.311 4.481 4.170 0.001 0.000 0.284 269 I C -0.712 175.405 176.117 -0.000 0.000 1.038 269 I CA -0.442 60.910 61.300 0.086 0.000 1.083 269 I CB 1.548 39.590 38.000 0.071 0.000 1.223 269 I HN 0.634 nan 8.210 nan 0.000 0.443 270 N N 4.332 123.044 118.700 0.020 0.000 2.419 270 N HA 0.219 4.960 4.740 0.001 0.000 0.277 270 N C 1.041 176.546 175.510 -0.008 0.000 1.006 270 N CA -0.047 53.003 53.050 -0.000 0.000 0.923 270 N CB 2.198 40.699 38.487 0.024 0.000 1.140 270 N HN 0.789 nan 8.380 nan 0.000 0.488 271 G N 4.639 113.419 108.800 -0.034 0.000 2.764 271 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 271 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 271 G C -0.744 174.150 174.900 -0.011 0.000 1.259 271 G CA 0.795 45.877 45.100 -0.030 0.000 0.793 271 G HN 0.658 nan 8.290 nan 0.000 0.633 272 P HA -0.123 nan 4.420 nan 0.000 0.217 272 P C 1.415 178.719 177.300 0.006 0.000 1.148 272 P CA 1.807 64.906 63.100 -0.001 0.000 0.828 272 P CB -0.005 31.696 31.700 0.000 0.000 0.783 273 E N 0.435 120.642 120.200 0.011 0.000 2.085 273 E HA -0.173 4.178 4.350 0.001 0.000 0.194 273 E C 2.031 178.644 176.600 0.021 0.000 0.994 273 E CA 1.324 57.735 56.400 0.018 0.000 0.801 273 E CB -0.917 28.799 29.700 0.026 0.000 0.743 273 E HN 0.099 nan 8.360 nan 0.000 0.453 274 I N 0.177 120.760 120.570 0.021 0.000 2.286 274 I HA -0.140 4.031 4.170 0.001 0.000 0.245 274 I C 1.864 177.988 176.117 0.012 0.000 1.104 274 I CA 0.910 62.223 61.300 0.022 0.000 1.397 274 I CB -0.811 37.202 38.000 0.022 0.000 1.072 274 I HN 0.273 nan 8.210 nan 0.000 0.417 275 M N 0.721 120.324 119.600 0.005 0.000 2.686 275 M HA -0.021 4.459 4.480 0.001 0.000 0.246 275 M C 2.059 178.360 176.300 0.003 0.000 1.096 275 M CA 0.705 56.006 55.300 0.001 0.000 1.076 275 M CB -1.260 31.338 32.600 -0.004 0.000 1.504 275 M HN 0.311 nan 8.290 nan 0.000 0.524 276 S N -1.365 114.339 115.700 0.006 0.000 2.503 276 S HA 0.112 4.582 4.470 0.001 0.000 0.215 276 S C 0.908 175.512 174.600 0.007 0.000 1.003 276 S CA -0.270 57.933 58.200 0.006 0.000 0.910 276 S CB 0.388 63.593 63.200 0.008 0.000 0.790 276 S HN 0.175 nan 8.310 nan 0.000 0.514 277 K N 1.756 122.162 120.400 0.009 0.000 2.276 277 K HA 0.312 4.632 4.320 0.001 0.000 0.259 277 K C 0.073 176.677 176.600 0.006 0.000 1.001 277 K CA -0.249 56.044 56.287 0.010 0.000 0.927 277 K CB 0.341 32.849 32.500 0.014 0.000 0.969 277 K HN 0.308 nan 8.250 nan 0.000 0.490 278 L N 1.600 122.827 121.223 0.006 0.000 2.456 278 L HA 0.064 4.405 4.340 0.001 0.000 0.272 278 L C 0.816 177.687 176.870 0.002 0.000 1.189 278 L CA -0.360 54.482 54.840 0.003 0.000 0.846 278 L CB 0.406 42.467 42.059 0.003 0.000 1.111 278 L HN 0.657 nan 8.230 nan 0.000 0.475 279 A N 2.403 125.223 122.820 -0.001 0.000 2.587 279 A HA 0.363 4.683 4.320 0.001 0.000 0.233 279 A C 1.276 178.858 177.584 -0.003 0.000 1.049 279 A CA 0.742 52.777 52.037 -0.003 0.000 0.754 279 A CB -0.332 18.665 19.000 -0.005 0.000 0.977 279 A HN 1.130 nan 8.150 nan 0.000 0.509 280 G N 1.036 109.833 108.800 -0.005 0.000 3.079 280 G HA2 -0.368 3.593 3.960 0.001 0.000 0.214 280 G HA3 -0.368 3.593 3.960 0.001 0.000 0.214 280 G C 1.198 176.096 174.900 -0.003 0.000 1.335 280 G CA 1.077 46.173 45.100 -0.006 0.000 0.822 280 G HN 1.135 nan 8.290 nan 0.000 0.545 281 E N 1.441 121.643 120.200 0.002 0.000 2.204 281 E HA -0.079 4.271 4.350 0.001 0.000 0.195 281 E C 2.485 179.091 176.600 0.010 0.000 0.990 281 E CA 2.097 58.501 56.400 0.008 0.000 0.821 281 E CB -0.203 29.503 29.700 0.010 0.000 0.750 281 E HN 0.699 nan 8.360 nan 0.000 0.477 282 S N 0.410 116.114 115.700 0.006 0.000 2.371 282 S HA -0.106 4.364 4.470 0.001 0.000 0.224 282 S C 1.754 176.355 174.600 0.002 0.000 1.029 282 S CA 0.988 59.193 58.200 0.007 0.000 0.978 282 S CB -0.185 63.017 63.200 0.003 0.000 0.833 282 S HN 0.224 nan 8.310 nan 0.000 0.466 283 E N 1.577 121.771 120.200 -0.009 0.000 2.208 283 E HA 0.031 4.381 4.350 0.001 0.000 0.193 283 E C 2.170 178.757 176.600 -0.022 0.000 0.988 283 E CA 0.770 57.156 56.400 -0.023 0.000 0.828 283 E CB -0.285 29.396 29.700 -0.030 0.000 0.763 283 E HN 0.478 nan 8.360 nan 0.000 0.478 284 S N 0.385 116.080 115.700 -0.008 0.000 2.368 284 S HA -0.141 4.329 4.470 0.001 0.000 0.225 284 S C 1.634 176.240 174.600 0.011 0.000 1.030 284 S CA 1.426 59.625 58.200 -0.002 0.000 0.999 284 S CB -0.276 62.927 63.200 0.005 0.000 0.844 284 S HN 0.309 nan 8.310 nan 0.000 0.459 285 N N 0.448 119.162 118.700 0.024 0.000 2.396 285 N HA 0.064 4.804 4.740 0.001 0.000 0.180 285 N C 1.701 177.242 175.510 0.052 0.000 1.028 285 N CA 0.712 53.791 53.050 0.049 0.000 0.893 285 N CB -0.096 38.429 38.487 0.063 0.000 0.967 285 N HN 0.359 nan 8.380 nan 0.000 0.440 286 L N 1.017 122.258 121.223 0.028 0.000 2.027 286 L HA -0.099 4.241 4.340 0.001 0.000 0.206 286 L C 2.436 179.322 176.870 0.026 0.000 1.074 286 L CA 1.109 55.970 54.840 0.036 0.000 0.745 286 L CB -0.218 41.823 42.059 -0.030 0.000 0.898 286 L HN 0.139 nan 8.230 nan 0.000 0.433 287 R N -0.208 120.268 120.500 -0.040 0.000 2.073 287 R HA -0.132 4.208 4.340 0.001 0.000 0.234 287 R C 2.245 178.553 176.300 0.012 0.000 1.134 287 R CA 0.903 56.971 56.100 -0.052 0.000 0.952 287 R CB -0.233 30.031 30.300 -0.061 0.000 0.850 287 R HN 0.182 nan 8.270 nan 0.000 0.433 288 K N 0.704 121.110 120.400 0.011 0.000 2.147 288 K HA -0.053 4.267 4.320 0.001 0.000 0.205 288 K C 2.004 178.565 176.600 -0.065 0.000 1.049 288 K CA 1.324 57.617 56.287 0.010 0.000 0.936 288 K CB -0.363 32.164 32.500 0.044 0.000 0.722 288 K HN 0.182 nan 8.250 nan 0.000 0.446 289 A N 0.406 123.151 122.820 -0.125 0.000 1.902 289 A HA -0.122 4.199 4.320 0.001 0.000 0.217 289 A C 2.027 179.276 177.584 -0.559 0.000 1.181 289 A CA 1.226 52.900 52.037 -0.605 0.000 0.623 289 A CB -0.580 18.202 19.000 -0.363 0.000 0.818 289 A HN 0.170 nan 8.150 nan 0.000 0.443 290 F N 0.058 119.802 119.950 -0.344 0.000 2.206 290 F HA -0.006 4.521 4.527 0.001 0.000 0.298 290 F C 2.385 178.087 175.800 -0.163 0.000 1.090 290 F CA 1.311 59.174 58.000 -0.228 0.000 1.323 290 F CB -0.541 38.371 39.000 -0.145 0.000 1.028 290 F HN 0.297 nan 8.300 nan 0.000 0.492 291 E N -0.035 120.195 120.200 0.051 0.000 2.058 291 E HA -0.233 4.117 4.350 0.001 0.000 0.194 291 E C 2.198 178.789 176.600 -0.015 0.000 0.997 291 E CA 1.364 57.774 56.400 0.016 0.000 0.801 291 E CB -0.242 29.465 29.700 0.012 0.000 0.746 291 E HN 0.392 nan 8.360 nan 0.000 0.450 292 E N 0.011 120.189 120.200 -0.037 0.000 2.110 292 E HA -0.175 4.175 4.350 0.001 0.000 0.193 292 E C 1.993 178.614 176.600 0.035 0.000 0.988 292 E CA 0.840 57.253 56.400 0.022 0.000 0.804 292 E CB -0.011 29.798 29.700 0.181 0.000 0.745 292 E HN 0.199 nan 8.360 nan 0.000 0.458 293 A N 0.819 123.640 122.820 0.002 0.000 2.015 293 A HA -0.165 4.155 4.320 0.001 0.000 0.219 293 A C 1.913 179.528 177.584 0.051 0.000 1.163 293 A CA 1.136 53.242 52.037 0.115 0.000 0.646 293 A CB -0.242 18.686 19.000 -0.120 0.000 0.806 293 A HN 0.191 nan 8.150 nan 0.000 0.448 294 E N -0.490 119.712 120.200 0.002 0.000 2.216 294 E HA -0.081 4.270 4.350 0.001 0.000 0.192 294 E C 1.877 178.480 176.600 0.005 0.000 0.988 294 E CA 0.577 56.988 56.400 0.019 0.000 0.834 294 E CB 0.002 29.718 29.700 0.026 0.000 0.772 294 E HN 0.565 nan 8.360 nan 0.000 0.479 295 K N 0.349 120.729 120.400 -0.034 0.000 2.057 295 K HA -0.015 4.305 4.320 0.001 0.000 0.206 295 K C 1.053 177.587 176.600 -0.110 0.000 1.050 295 K CA 0.850 57.098 56.287 -0.065 0.000 0.935 295 K CB 0.116 32.565 32.500 -0.087 0.000 0.715 295 K HN 0.071 nan 8.250 nan 0.000 0.439 296 N N 0.932 119.510 118.700 -0.204 0.000 2.327 296 N HA 0.085 4.826 4.740 0.001 0.000 0.231 296 N C -0.652 174.824 175.510 -0.056 0.000 1.130 296 N CA -0.156 52.729 53.050 -0.275 0.000 0.845 296 N CB 0.807 38.767 38.487 -0.878 0.000 1.073 296 N HN 0.092 nan 8.380 nan 0.000 0.496 297 A N 1.952 124.783 122.820 0.019 0.000 2.445 297 A HA 0.296 4.616 4.320 0.001 0.000 0.242 297 A C -1.961 175.645 177.584 0.036 0.000 1.075 297 A CA -0.723 51.365 52.037 0.086 0.000 0.777 297 A CB -0.207 18.879 19.000 0.143 0.000 1.013 297 A HN 0.041 nan 8.150 nan 0.000 0.493 298 P HA 0.396 nan 4.420 nan 0.000 0.267 298 P C -0.473 176.923 177.300 0.159 0.000 1.205 298 P CA 0.575 63.738 63.100 0.104 0.000 0.765 298 P CB 0.910 32.652 31.700 0.069 0.000 0.828 299 A N 3.428 126.350 122.820 0.170 0.000 2.539 299 A HA 0.742 5.063 4.320 0.001 0.000 0.296 299 A C -1.113 176.547 177.584 0.126 0.000 1.073 299 A CA -0.644 51.526 52.037 0.222 0.000 0.700 299 A CB 1.243 20.445 19.000 0.335 0.000 1.296 299 A HN 0.447 nan 8.150 nan 0.000 0.405 300 I N 2.342 122.980 120.570 0.113 0.000 2.410 300 I HA 0.326 4.496 4.170 0.001 0.000 0.286 300 I C -0.777 175.313 176.117 -0.045 0.000 1.009 300 I CA -0.250 61.098 61.300 0.080 0.000 1.111 300 I CB 1.422 39.547 38.000 0.209 0.000 1.262 300 I HN 0.494 nan 8.210 nan 0.000 0.443 301 I N 6.063 126.563 120.570 -0.116 0.000 2.365 301 I HA 0.233 4.404 4.170 0.001 0.000 0.291 301 I C -0.733 175.360 176.117 -0.040 0.000 1.004 301 I CA -0.376 60.795 61.300 -0.216 0.000 1.311 301 I CB 1.167 38.878 38.000 -0.482 0.000 1.401 301 I HN 0.414 nan 8.210 nan 0.000 0.491 302 F N 8.108 127.914 119.950 -0.240 0.000 2.445 302 F HA 0.533 5.060 4.527 0.001 0.000 0.348 302 F C -0.480 175.304 175.800 -0.027 0.000 1.125 302 F CA -0.825 57.138 58.000 -0.063 0.000 0.983 302 F CB 0.793 39.828 39.000 0.057 0.000 1.198 302 F HN 0.195 nan 8.300 nan 0.000 0.436 303 I N 5.302 125.537 120.570 -0.558 0.000 2.301 303 I HA 0.144 4.314 4.170 0.001 0.000 0.292 303 I C -0.473 175.091 176.117 -0.922 0.000 1.046 303 I CA -0.414 60.587 61.300 -0.498 0.000 1.282 303 I CB 0.625 38.495 38.000 -0.216 0.000 1.409 303 I HN 0.484 nan 8.210 nan 0.000 0.484 304 D N 7.103 127.093 120.400 -0.684 0.000 2.295 304 D HA 0.141 4.781 4.640 0.001 0.000 0.248 304 D C -0.045 176.130 176.300 -0.208 0.000 1.154 304 D CA 0.207 53.942 54.000 -0.441 0.000 0.857 304 D CB 0.530 41.318 40.800 -0.021 0.000 1.117 304 D HN 0.571 nan 8.370 nan 0.000 0.468 305 E N 1.872 121.974 120.200 -0.163 0.000 2.372 305 E HA -0.226 4.125 4.350 0.001 0.000 0.254 305 E C 0.730 177.260 176.600 -0.117 0.000 1.102 305 E CA -0.142 56.201 56.400 -0.095 0.000 0.740 305 E CB -1.197 28.476 29.700 -0.046 0.000 1.292 305 E HN 0.435 nan 8.360 nan 0.000 0.394 306 L N 1.630 122.749 121.223 -0.173 0.000 2.021 306 L HA -0.237 4.103 4.340 0.001 0.000 0.215 306 L C 2.040 178.841 176.870 -0.115 0.000 1.074 306 L CA 2.977 57.713 54.840 -0.174 0.000 0.760 306 L CB -0.414 41.482 42.059 -0.272 0.000 0.889 306 L HN 0.445 nan 8.230 nan 0.000 0.433 307 D N -0.658 119.686 120.400 -0.094 0.000 2.239 307 D HA -0.241 4.400 4.640 0.001 0.000 0.202 307 D C 1.829 178.102 176.300 -0.045 0.000 0.993 307 D CA 1.298 55.262 54.000 -0.060 0.000 0.874 307 D CB -0.449 40.329 40.800 -0.037 0.000 0.922 307 D HN 0.438 nan 8.370 nan 0.000 0.464 308 A N -0.322 122.470 122.820 -0.046 0.000 2.119 308 A HA 0.127 4.448 4.320 0.001 0.000 0.216 308 A C 2.156 179.722 177.584 -0.030 0.000 1.152 308 A CA 0.622 52.640 52.037 -0.032 0.000 0.708 308 A CB -0.358 18.625 19.000 -0.029 0.000 0.805 308 A HN 0.373 nan 8.150 nan 0.000 0.460 309 I N -1.843 118.703 120.570 -0.040 0.000 3.136 309 I HA 0.154 4.325 4.170 0.001 0.000 0.262 309 I C 1.256 177.353 176.117 -0.032 0.000 1.132 309 I CA 0.676 61.957 61.300 -0.031 0.000 1.450 309 I CB 0.186 38.167 38.000 -0.031 0.000 1.315 309 I HN 0.198 nan 8.210 nan 0.000 0.460 310 A N 3.700 126.493 122.820 -0.045 0.000 2.786 310 A HA 0.532 4.852 4.320 0.001 0.000 0.346 310 A C -2.634 174.926 177.584 -0.041 0.000 1.265 310 A CA -1.169 50.843 52.037 -0.041 0.000 0.858 310 A CB -0.287 18.686 19.000 -0.044 0.000 1.118 310 A HN -0.007 nan 8.150 nan 0.000 0.482 311 P HA 0.701 nan 4.420 nan 0.000 0.308 311 P C -1.181 176.108 177.300 -0.019 0.000 1.416 311 P CA -0.569 62.516 63.100 -0.024 0.000 1.059 311 P CB 2.580 34.266 31.700 -0.022 0.000 1.289 312 K N 1.773 122.164 120.400 -0.015 0.000 2.607 312 K HA 0.579 4.900 4.320 0.001 0.000 0.287 312 K C -0.355 176.239 176.600 -0.009 0.000 0.996 312 K CA -0.503 55.777 56.287 -0.012 0.000 0.876 312 K CB 1.172 33.666 32.500 -0.011 0.000 1.496 312 K HN 0.145 nan 8.250 nan 0.000 0.415 313 R N 1.145 121.641 120.500 -0.008 0.000 3.862 313 R HA -0.134 4.206 4.340 0.001 0.000 0.398 313 R C -0.429 175.867 176.300 -0.007 0.000 1.110 313 R CA 2.016 58.112 56.100 -0.006 0.000 1.010 313 R CB -2.187 28.110 30.300 -0.005 0.000 1.613 313 R HN 0.942 nan 8.270 nan 0.000 0.530 314 E N -1.739 118.456 120.200 -0.008 0.000 1.293 314 E HA -0.011 4.339 4.350 0.001 0.000 0.198 314 E C -0.030 176.564 176.600 -0.009 0.000 0.823 314 E CA 0.364 56.759 56.400 -0.008 0.000 0.951 314 E CB -0.271 29.424 29.700 -0.008 0.000 4.414 314 E HN 0.310 nan 8.360 nan 0.000 0.603 315 K N 0.754 121.148 120.400 -0.010 0.000 2.393 315 K HA 0.188 4.508 4.320 0.001 0.000 0.193 315 K C -0.532 176.062 176.600 -0.010 0.000 1.026 315 K CA 1.123 57.404 56.287 -0.011 0.000 1.064 315 K CB 1.294 33.786 32.500 -0.013 0.000 0.833 315 K HN 0.092 nan 8.250 nan 0.000 0.521 316 T N -1.777 112.772 114.554 -0.009 0.000 3.092 316 T HA -0.057 4.293 4.350 0.001 0.000 0.344 316 T C -0.824 173.871 174.700 -0.009 0.000 1.710 316 T CA -0.157 61.938 62.100 -0.008 0.000 0.985 316 T CB -0.165 68.698 68.868 -0.009 0.000 1.981 316 T HN 0.442 nan 8.240 nan 0.000 0.531 317 H N -0.951 118.115 119.070 -0.008 0.000 2.767 317 H HA 0.674 5.231 4.556 0.001 0.000 0.235 317 H C 1.129 176.453 175.328 -0.007 0.000 1.256 317 H CA 0.295 56.338 56.048 -0.008 0.000 0.957 317 H CB 0.286 30.044 29.762 -0.007 0.000 2.117 317 H HN 1.178 nan 8.280 nan 0.000 0.602 318 G N 0.897 109.693 108.800 -0.008 0.000 3.266 318 G HA2 0.194 4.154 3.960 0.001 0.000 0.238 318 G HA3 0.194 4.154 3.960 0.001 0.000 0.238 318 G C 0.572 175.468 174.900 -0.007 0.000 1.076 318 G CA 0.463 45.559 45.100 -0.007 0.000 1.804 318 G HN 0.657 nan 8.290 nan 0.000 0.600 319 E N -1.548 118.647 120.200 -0.008 0.000 3.248 319 E HA -0.271 4.079 4.350 0.001 0.000 0.270 319 E C 1.588 178.183 176.600 -0.009 0.000 0.921 319 E CA 1.642 58.037 56.400 -0.008 0.000 0.796 319 E CB -1.135 28.561 29.700 -0.007 0.000 1.403 319 E HN 0.555 nan 8.360 nan 0.000 0.467 320 V N -1.313 118.596 119.914 -0.009 0.000 3.350 320 V HA 0.026 4.146 4.120 0.001 0.000 0.246 320 V C 1.852 177.940 176.094 -0.011 0.000 1.363 320 V CA 0.801 63.095 62.300 -0.010 0.000 1.162 320 V CB 0.147 31.965 31.823 -0.008 0.000 0.947 320 V HN -0.032 nan 8.190 nan 0.000 0.454 321 E N 1.089 121.283 120.200 -0.011 0.000 2.051 321 E HA -0.190 4.160 4.350 0.001 0.000 0.192 321 E C 2.248 178.840 176.600 -0.014 0.000 0.991 321 E CA 1.651 58.044 56.400 -0.012 0.000 0.799 321 E CB -0.269 29.424 29.700 -0.011 0.000 0.748 321 E HN 0.495 nan 8.360 nan 0.000 0.449 322 R N 0.552 121.044 120.500 -0.013 0.000 2.073 322 R HA -0.036 4.304 4.340 0.001 0.000 0.229 322 R C 2.341 178.631 176.300 -0.016 0.000 1.120 322 R CA 1.280 57.372 56.100 -0.014 0.000 0.967 322 R CB -0.097 30.196 30.300 -0.012 0.000 0.862 322 R HN 0.022 nan 8.270 nan 0.000 0.436 323 R N 0.574 121.064 120.500 -0.017 0.000 2.127 323 R HA -0.099 4.242 4.340 0.001 0.000 0.238 323 R C 2.092 178.377 176.300 -0.025 0.000 1.134 323 R CA 1.675 57.763 56.100 -0.020 0.000 0.975 323 R CB -0.217 30.073 30.300 -0.018 0.000 0.865 323 R HN 0.341 nan 8.270 nan 0.000 0.447 324 I N -0.062 120.494 120.570 -0.022 0.000 2.286 324 I HA -0.219 3.951 4.170 0.001 0.000 0.245 324 I C 2.166 178.266 176.117 -0.028 0.000 1.104 324 I CA 0.747 62.032 61.300 -0.025 0.000 1.397 324 I CB -0.132 37.857 38.000 -0.018 0.000 1.072 324 I HN 0.008 nan 8.210 nan 0.000 0.417 325 V N 0.190 120.090 119.914 -0.023 0.000 2.295 325 V HA -0.280 3.841 4.120 0.001 0.000 0.246 325 V C 2.562 178.641 176.094 -0.025 0.000 1.049 325 V CA 2.153 64.441 62.300 -0.020 0.000 1.024 325 V CB -0.690 31.124 31.823 -0.016 0.000 0.648 325 V HN 0.361 nan 8.190 nan 0.000 0.447 326 S N -0.654 115.030 115.700 -0.027 0.000 2.370 326 S HA -0.320 4.150 4.470 0.001 0.000 0.226 326 S C 2.025 176.593 174.600 -0.053 0.000 1.033 326 S CA 1.980 60.161 58.200 -0.033 0.000 1.011 326 S CB -0.363 62.820 63.200 -0.028 0.000 0.852 326 S HN 0.641 nan 8.310 nan 0.000 0.457 327 Q N 1.094 120.857 119.800 -0.061 0.000 2.061 327 Q HA -0.081 4.260 4.340 0.001 0.000 0.204 327 Q C 2.014 177.932 176.000 -0.136 0.000 0.984 327 Q CA 1.350 57.096 55.803 -0.093 0.000 0.846 327 Q CB -0.635 28.052 28.738 -0.084 0.000 0.902 327 Q HN 0.441 nan 8.270 nan 0.000 0.421 328 L N -0.422 120.740 121.223 -0.102 0.000 2.131 328 L HA -0.056 4.284 4.340 0.001 0.000 0.210 328 L C 1.870 178.691 176.870 -0.082 0.000 1.092 328 L CA 1.561 56.339 54.840 -0.103 0.000 0.759 328 L CB -0.393 41.660 42.059 -0.011 0.000 0.903 328 L HN 0.370 nan 8.230 nan 0.000 0.435 329 L N -1.620 119.573 121.223 -0.049 0.000 2.109 329 L HA -0.141 4.199 4.340 0.001 0.000 0.207 329 L C 2.284 179.111 176.870 -0.071 0.000 1.086 329 L CA 1.362 56.185 54.840 -0.029 0.000 0.760 329 L CB -0.967 41.084 42.059 -0.013 0.000 0.910 329 L HN 0.198 nan 8.230 nan 0.000 0.437 330 T N 0.460 114.954 114.554 -0.100 0.000 2.746 330 T HA -0.146 4.205 4.350 0.001 0.000 0.267 330 T C 1.958 176.557 174.700 -0.169 0.000 1.039 330 T CA 1.255 63.288 62.100 -0.113 0.000 1.142 330 T CB -0.237 68.564 68.868 -0.111 0.000 0.866 330 T HN 0.190 nan 8.240 nan 0.000 0.444 331 L N 0.262 121.312 121.223 -0.290 0.000 2.131 331 L HA -0.058 4.283 4.340 0.001 0.000 0.210 331 L C 2.648 179.349 176.870 -0.280 0.000 1.092 331 L CA 0.770 55.321 54.840 -0.481 0.000 0.759 331 L CB -0.523 40.852 42.059 -1.139 0.000 0.903 331 L HN 0.251 nan 8.230 nan 0.000 0.435 332 M N -0.780 118.721 119.600 -0.165 0.000 2.254 332 M HA -0.130 4.350 4.480 0.001 0.000 0.265 332 M C 1.544 177.805 176.300 -0.065 0.000 1.066 332 M CA 1.471 56.730 55.300 -0.068 0.000 1.123 332 M CB -0.942 31.616 32.600 -0.070 0.000 1.388 332 M HN 0.164 nan 8.290 nan 0.000 0.425 333 D N -0.104 120.255 120.400 -0.067 0.000 2.183 333 D HA 0.004 4.644 4.640 0.001 0.000 0.205 333 D C 2.039 178.311 176.300 -0.047 0.000 0.962 333 D CA 1.212 55.183 54.000 -0.048 0.000 0.849 333 D CB -0.451 40.325 40.800 -0.040 0.000 0.978 333 D HN 0.399 nan 8.370 nan 0.000 0.488 334 G N 0.327 109.089 108.800 -0.063 0.000 2.509 334 G HA2 -0.078 3.882 3.960 0.001 0.000 0.218 334 G HA3 -0.078 3.882 3.960 0.001 0.000 0.218 334 G C 0.714 175.597 174.900 -0.029 0.000 1.124 334 G CA 0.057 45.126 45.100 -0.051 0.000 0.776 334 G HN 0.190 nan 8.290 nan 0.000 0.547 335 L N 0.480 121.693 121.223 -0.017 0.000 2.483 335 L HA 0.314 4.654 4.340 0.001 0.000 0.275 335 L C 0.391 177.240 176.870 -0.035 0.000 1.220 335 L CA 0.194 55.032 54.840 -0.004 0.000 0.833 335 L CB 0.744 42.807 42.059 0.007 0.000 1.102 335 L HN 0.287 nan 8.230 nan 0.000 0.490 336 K N 1.254 121.624 120.400 -0.050 0.000 2.525 336 K HA 0.267 4.588 4.320 0.001 0.000 0.254 336 K C -0.196 176.335 176.600 -0.114 0.000 0.934 336 K CA -0.916 55.330 56.287 -0.069 0.000 0.802 336 K CB 1.597 34.067 32.500 -0.050 0.000 1.295 336 K HN 0.211 nan 8.250 nan 0.000 0.433 337 Q N 1.618 121.336 119.800 -0.137 0.000 2.242 337 Q HA -0.209 4.131 4.340 0.001 0.000 0.211 337 Q C 1.459 177.266 176.000 -0.322 0.000 0.992 337 Q CA 1.801 57.477 55.803 -0.211 0.000 0.889 337 Q CB -0.491 28.145 28.738 -0.169 0.000 0.913 337 Q HN 0.644 nan 8.270 nan 0.000 0.422 338 R N 0.065 120.425 120.500 -0.234 0.000 2.139 338 R HA -0.120 4.221 4.340 0.001 0.000 0.243 338 R C 2.153 178.216 176.300 -0.394 0.000 1.145 338 R CA 1.251 57.188 56.100 -0.272 0.000 0.976 338 R CB -0.456 29.789 30.300 -0.091 0.000 0.866 338 R HN 0.301 nan 8.270 nan 0.000 0.449 339 A N 0.290 122.966 122.820 -0.239 0.000 2.015 339 A HA -0.137 4.183 4.320 0.001 0.000 0.219 339 A C -0.028 177.549 177.584 -0.012 0.000 1.163 339 A CA 1.127 53.111 52.037 -0.089 0.000 0.646 339 A CB -0.461 18.515 19.000 -0.040 0.000 0.806 339 A HN 0.609 nan 8.150 nan 0.000 0.448 340 H N -2.492 116.582 119.070 0.006 0.000 2.756 340 H HA -0.091 4.465 4.556 0.001 0.000 0.315 340 H C -0.757 174.575 175.328 0.006 0.000 1.210 340 H CA 0.325 56.382 56.048 0.015 0.000 1.150 340 H CB -2.173 27.617 29.762 0.047 0.000 1.463 340 H HN 0.239 nan 8.280 nan 0.000 0.427 341 V N 1.215 121.149 119.914 0.033 0.000 2.735 341 V HA 0.476 4.596 4.120 0.001 0.000 0.310 341 V C 0.449 176.520 176.094 -0.037 0.000 1.061 341 V CA -0.698 61.606 62.300 0.006 0.000 0.913 341 V CB 2.603 34.407 31.823 -0.031 0.000 1.005 341 V HN 0.267 nan 8.190 nan 0.000 0.428 342 I N 3.972 124.526 120.570 -0.026 0.000 2.410 342 I HA 0.426 4.596 4.170 0.001 0.000 0.286 342 I C -0.718 175.371 176.117 -0.047 0.000 1.009 342 I CA -0.743 60.535 61.300 -0.037 0.000 1.111 342 I CB 2.118 40.125 38.000 0.011 0.000 1.262 342 I HN 0.284 nan 8.210 nan 0.000 0.443 343 V N 7.434 127.288 119.914 -0.099 0.000 2.407 343 V HA 0.416 4.536 4.120 0.001 0.000 0.278 343 V C 0.227 176.376 176.094 0.092 0.000 1.037 343 V CA -0.250 62.006 62.300 -0.073 0.000 0.900 343 V CB 1.438 33.159 31.823 -0.170 0.000 0.983 343 V HN 0.649 nan 8.190 nan 0.000 0.459 344 M N 4.127 123.869 119.600 0.236 0.000 2.456 344 M HA 0.807 5.287 4.480 0.001 0.000 0.324 344 M C -0.278 176.222 176.300 0.333 0.000 1.124 344 M CA -0.391 55.129 55.300 0.365 0.000 0.959 344 M CB 2.227 35.084 32.600 0.428 0.000 1.692 344 M HN 0.714 nan 8.290 nan 0.000 0.444 345 A N 1.800 124.741 122.820 0.202 0.000 2.515 345 A HA 1.004 5.324 4.320 0.001 0.000 0.296 345 A C -1.589 175.883 177.584 -0.187 0.000 1.094 345 A CA -0.689 51.230 52.037 -0.197 0.000 0.718 345 A CB 1.707 20.402 19.000 -0.509 0.000 1.307 345 A HN 0.880 nan 8.150 nan 0.000 0.408 346 A N 0.132 122.782 122.820 -0.283 0.000 2.414 346 A HA 0.921 5.241 4.320 0.001 0.000 0.306 346 A C -0.359 177.145 177.584 -0.132 0.000 1.054 346 A CA -0.119 51.856 52.037 -0.103 0.000 0.724 346 A CB 1.725 20.809 19.000 0.140 0.000 1.267 346 A HN 1.657 nan 8.150 nan 0.000 0.418 347 T N -0.256 114.254 114.554 -0.073 0.000 2.792 347 T HA 0.326 4.676 4.350 0.001 0.000 0.303 347 T C 0.601 175.355 174.700 0.091 0.000 1.310 347 T CA -0.335 61.759 62.100 -0.010 0.000 1.007 347 T CB 1.077 69.936 68.868 -0.015 0.000 1.335 347 T HN 0.669 nan 8.240 nan 0.000 0.504 348 N N 0.444 119.193 118.700 0.082 0.000 2.142 348 N HA 0.046 4.786 4.740 0.001 0.000 0.186 348 N C 0.576 176.158 175.510 0.120 0.000 1.023 348 N CA 0.651 53.752 53.050 0.086 0.000 0.852 348 N CB 0.134 38.645 38.487 0.040 0.000 0.998 348 N HN 0.509 nan 8.380 nan 0.000 0.424 349 R N -1.036 119.538 120.500 0.123 0.000 2.712 349 R HA 0.261 4.601 4.340 0.001 0.000 0.272 349 R C -2.919 173.379 176.300 -0.004 0.000 1.032 349 R CA -1.402 54.698 56.100 -0.000 0.000 0.874 349 R CB 1.095 31.349 30.300 -0.077 0.000 1.256 349 R HN -0.283 nan 8.270 nan 0.000 0.468 350 P HA -0.201 nan 4.420 nan 0.000 0.215 350 P C 0.347 177.632 177.300 -0.024 0.000 1.163 350 P CA 2.107 65.129 63.100 -0.130 0.000 0.894 350 P CB -0.161 31.329 31.700 -0.350 0.000 0.791 351 N N -0.869 117.790 118.700 -0.067 0.000 2.242 351 N HA -0.174 4.567 4.740 0.001 0.000 0.191 351 N C 1.585 177.084 175.510 -0.018 0.000 1.005 351 N CA 1.454 54.481 53.050 -0.039 0.000 0.877 351 N CB -0.573 37.886 38.487 -0.046 0.000 0.983 351 N HN 0.185 nan 8.380 nan 0.000 0.439 352 S N 0.581 116.278 115.700 -0.005 0.000 2.355 352 S HA -0.023 4.448 4.470 0.001 0.000 0.222 352 S C 1.043 175.637 174.600 -0.010 0.000 1.031 352 S CA 0.520 58.718 58.200 -0.004 0.000 0.993 352 S CB -0.086 63.118 63.200 0.007 0.000 0.859 352 S HN 0.162 nan 8.310 nan 0.000 0.453 353 I N 2.734 123.302 120.570 -0.002 0.000 3.060 353 I HA 0.125 4.296 4.170 0.001 0.000 0.285 353 I C 0.425 176.529 176.117 -0.020 0.000 1.190 353 I CA -0.685 60.599 61.300 -0.027 0.000 1.363 353 I CB -0.208 37.770 38.000 -0.036 0.000 1.396 353 I HN 0.193 nan 8.210 nan 0.000 0.607 354 D N 4.215 124.599 120.400 -0.027 0.000 2.277 354 D HA 0.249 4.890 4.640 0.001 0.000 0.249 354 D C -1.866 174.428 176.300 -0.009 0.000 1.134 354 D CA -1.732 52.258 54.000 -0.016 0.000 0.863 354 D CB 1.515 42.306 40.800 -0.014 0.000 1.143 354 D HN 0.107 nan 8.370 nan 0.000 0.458 355 P HA -0.291 nan 4.420 nan 0.000 0.222 355 P C 0.935 178.233 177.300 -0.003 0.000 1.154 355 P CA 2.182 65.280 63.100 -0.004 0.000 0.874 355 P CB 0.078 31.777 31.700 -0.001 0.000 0.787 356 A N -1.330 121.493 122.820 0.004 0.000 2.019 356 A HA -0.149 4.172 4.320 0.001 0.000 0.219 356 A C 2.147 179.749 177.584 0.031 0.000 1.164 356 A CA 1.212 53.257 52.037 0.013 0.000 0.644 356 A CB -1.483 17.526 19.000 0.014 0.000 0.805 356 A HN 0.170 nan 8.150 nan 0.000 0.449 357 L N -0.973 120.277 121.223 0.044 0.000 2.201 357 L HA -0.149 4.191 4.340 0.001 0.000 0.212 357 L C 2.538 179.504 176.870 0.159 0.000 1.105 357 L CA 1.154 56.070 54.840 0.128 0.000 0.775 357 L CB -0.301 41.786 42.059 0.047 0.000 0.913 357 L HN 0.425 nan 8.230 nan 0.000 0.440 358 R N -0.565 119.958 120.500 0.038 0.000 2.276 358 R HA 0.045 4.385 4.340 0.001 0.000 0.196 358 R C 0.921 177.103 176.300 -0.197 0.000 0.961 358 R CA -0.275 55.804 56.100 -0.035 0.000 1.024 358 R CB -0.191 30.078 30.300 -0.052 0.000 0.940 358 R HN 0.136 nan 8.270 nan 0.000 0.480 359 R N 1.633 122.059 120.500 -0.123 0.000 2.523 359 R HA -0.066 4.275 4.340 0.001 0.000 0.281 359 R C -0.745 175.462 176.300 -0.155 0.000 0.969 359 R CA 0.012 56.031 56.100 -0.135 0.000 1.093 359 R CB 0.176 30.475 30.300 -0.001 0.000 0.917 359 R HN -0.065 nan 8.270 nan 0.000 0.408 360 F N 3.339 123.309 119.950 0.034 0.000 2.593 360 F HA 0.039 4.566 4.527 0.001 0.000 0.393 360 F C 1.827 177.629 175.800 0.003 0.000 1.037 360 F CA 1.756 59.768 58.000 0.021 0.000 1.195 360 F CB 0.524 39.535 39.000 0.017 0.000 1.034 360 F HN 0.839 nan 8.300 nan 0.000 0.552 361 G N 2.336 111.203 108.800 0.113 0.000 2.229 361 G HA2 -0.193 3.768 3.960 0.001 0.000 0.189 361 G HA3 -0.193 3.768 3.960 0.001 0.000 0.189 361 G C 0.687 175.567 174.900 -0.032 0.000 1.000 361 G CA -0.037 45.089 45.100 0.043 0.000 0.663 361 G HN 0.597 nan 8.290 nan 0.000 0.493 362 R N -1.218 119.250 120.500 -0.054 0.000 2.400 362 R HA 0.599 4.939 4.340 0.001 0.000 0.112 362 R C -0.158 175.997 176.300 -0.242 0.000 1.488 362 R CA -0.531 55.485 56.100 -0.139 0.000 1.275 362 R CB -0.185 30.105 30.300 -0.017 0.000 1.084 362 R HN 0.043 nan 8.270 nan 0.000 0.426 363 F N 3.127 123.049 119.950 -0.048 0.000 2.626 363 F HA 0.077 4.604 4.527 0.000 0.000 0.353 363 F C 0.245 175.993 175.800 -0.086 0.000 1.230 363 F CA -0.249 57.717 58.000 -0.056 0.000 1.298 363 F CB 0.049 39.011 39.000 -0.063 0.000 1.670 363 F HN 0.397 nan 8.300 nan 0.000 0.633 364 D N -1.104 119.300 120.400 0.005 0.000 2.347 364 D HA -0.018 4.623 4.640 0.001 0.000 0.213 364 D C 0.678 177.001 176.300 0.038 0.000 0.985 364 D CA 0.384 54.372 54.000 -0.021 0.000 0.879 364 D CB 0.158 40.982 40.800 0.040 0.000 0.919 364 D HN 0.003 nan 8.370 nan 0.000 0.526 365 R N 0.559 121.097 120.500 0.063 0.000 2.664 365 R HA 0.639 4.979 4.340 0.001 0.000 0.286 365 R C -0.273 176.075 176.300 0.081 0.000 0.967 365 R CA -0.589 55.555 56.100 0.073 0.000 0.933 365 R CB 1.242 31.579 30.300 0.062 0.000 1.146 365 R HN 0.177 nan 8.270 nan 0.000 0.468 366 E N 0.482 120.730 120.200 0.081 0.000 2.331 366 E HA 0.535 4.886 4.350 0.001 0.000 0.275 366 E C -1.211 175.445 176.600 0.093 0.000 0.895 366 E CA -0.934 55.510 56.400 0.073 0.000 0.753 366 E CB 2.958 32.780 29.700 0.204 0.000 1.216 366 E HN 0.085 nan 8.360 nan 0.000 0.434 367 V N 1.629 121.583 119.914 0.067 0.000 2.668 367 V HA 0.199 4.320 4.120 0.001 0.000 0.304 367 V C -1.104 175.070 176.094 0.134 0.000 1.071 367 V CA -0.845 61.510 62.300 0.091 0.000 0.894 367 V CB 2.084 33.939 31.823 0.053 0.000 1.008 367 V HN 0.717 nan 8.190 nan 0.000 0.425 368 D N 4.022 124.518 120.400 0.160 0.000 2.264 368 D HA 0.546 5.186 4.640 0.001 0.000 0.250 368 D C -0.430 175.933 176.300 0.106 0.000 1.113 368 D CA -0.035 54.069 54.000 0.174 0.000 0.871 368 D CB 0.904 41.784 40.800 0.133 0.000 1.167 368 D HN 0.492 nan 8.370 nan 0.000 0.447 369 I N 4.023 124.656 120.570 0.106 0.000 2.698 369 I HA 0.351 4.522 4.170 0.001 0.000 0.276 369 I C 0.880 177.037 176.117 0.067 0.000 1.166 369 I CA -0.761 60.581 61.300 0.071 0.000 1.101 369 I CB 1.296 39.333 38.000 0.061 0.000 1.305 369 I HN 0.396 nan 8.210 nan 0.000 0.526 370 G N 4.029 112.863 108.800 0.056 0.000 2.494 370 G HA2 0.549 4.509 3.960 0.001 0.000 0.270 370 G HA3 0.549 4.509 3.960 0.001 0.000 0.270 370 G C -0.019 174.904 174.900 0.040 0.000 1.423 370 G CA -0.616 44.512 45.100 0.047 0.000 1.055 370 G HN 0.249 nan 8.290 nan 0.000 0.536 371 I N 1.657 122.250 120.570 0.037 0.000 2.710 371 I HA 0.166 4.337 4.170 0.001 0.000 0.286 371 I C -1.592 174.545 176.117 0.034 0.000 1.181 371 I CA -0.984 60.339 61.300 0.038 0.000 1.430 371 I CB 0.467 38.494 38.000 0.044 0.000 1.367 371 I HN 0.178 nan 8.210 nan 0.000 0.577 372 P HA 0.215 nan 4.420 nan 0.000 0.274 372 P C -1.081 176.231 177.300 0.020 0.000 1.246 372 P CA -0.545 62.567 63.100 0.021 0.000 0.795 372 P CB 0.452 32.160 31.700 0.013 0.000 1.006 373 D N -0.576 119.833 120.400 0.015 0.000 2.539 373 D HA 0.402 5.042 4.640 0.001 0.000 0.280 373 D C 1.207 177.502 176.300 -0.008 0.000 1.208 373 D CA -0.584 53.426 54.000 0.016 0.000 1.088 373 D CB -0.303 40.511 40.800 0.022 0.000 1.149 373 D HN 0.195 nan 8.370 nan 0.000 0.596 374 A N -0.671 122.143 122.820 -0.010 0.000 1.883 374 A HA -0.161 4.160 4.320 0.001 0.000 0.217 374 A C 2.132 179.697 177.584 -0.032 0.000 1.186 374 A CA 2.500 54.511 52.037 -0.043 0.000 0.624 374 A CB -1.649 17.340 19.000 -0.018 0.000 0.822 374 A HN 0.644 nan 8.150 nan 0.000 0.444 375 T N -0.126 114.421 114.554 -0.012 0.000 2.652 375 T HA -0.070 4.280 4.350 0.001 0.000 0.267 375 T C 2.008 176.704 174.700 -0.006 0.000 1.039 375 T CA 1.633 63.729 62.100 -0.007 0.000 1.153 375 T CB -0.968 67.901 68.868 0.001 0.000 0.863 375 T HN 0.603 nan 8.240 nan 0.000 0.428 376 G N 1.812 110.610 108.800 -0.003 0.000 2.545 376 G HA2 -0.284 3.676 3.960 0.001 0.000 0.217 376 G HA3 -0.284 3.676 3.960 0.001 0.000 0.217 376 G C 1.654 176.552 174.900 -0.004 0.000 1.218 376 G CA 0.756 45.857 45.100 0.001 0.000 0.787 376 G HN 0.428 nan 8.290 nan 0.000 0.571 377 R N -0.342 120.146 120.500 -0.019 0.000 2.133 377 R HA -0.133 4.208 4.340 0.001 0.000 0.247 377 R C 2.506 178.791 176.300 -0.024 0.000 1.151 377 R CA 1.394 57.476 56.100 -0.030 0.000 0.971 377 R CB -0.678 29.582 30.300 -0.067 0.000 0.866 377 R HN 0.401 nan 8.270 nan 0.000 0.447 378 L N 1.620 122.828 121.223 -0.025 0.000 1.976 378 L HA -0.179 4.161 4.340 0.001 0.000 0.209 378 L C 1.864 178.737 176.870 0.006 0.000 1.071 378 L CA 1.862 56.692 54.840 -0.016 0.000 0.746 378 L CB -0.516 41.531 42.059 -0.020 0.000 0.890 378 L HN 0.112 nan 8.230 nan 0.000 0.432 379 E N -0.312 119.895 120.200 0.011 0.000 2.097 379 E HA -0.266 4.085 4.350 0.001 0.000 0.196 379 E C 2.260 178.890 176.600 0.050 0.000 1.000 379 E CA 1.872 58.289 56.400 0.027 0.000 0.804 379 E CB -0.321 29.394 29.700 0.025 0.000 0.740 379 E HN 0.597 nan 8.360 nan 0.000 0.454 380 I N 0.918 121.513 120.570 0.043 0.000 2.179 380 I HA -0.300 3.871 4.170 0.001 0.000 0.242 380 I C 2.387 178.559 176.117 0.092 0.000 1.088 380 I CA 1.040 62.377 61.300 0.062 0.000 1.357 380 I CB -0.264 37.735 38.000 -0.001 0.000 1.051 380 I HN 0.128 nan 8.210 nan 0.000 0.409 381 L N 0.073 121.330 121.223 0.056 0.000 2.042 381 L HA -0.265 4.075 4.340 0.001 0.000 0.210 381 L C 2.697 179.640 176.870 0.122 0.000 1.076 381 L CA 1.541 56.435 54.840 0.090 0.000 0.749 381 L CB -0.613 41.484 42.059 0.062 0.000 0.893 381 L HN 0.331 nan 8.230 nan 0.000 0.432 382 Q N -0.161 119.688 119.800 0.082 0.000 2.124 382 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 382 Q C 2.292 178.348 176.000 0.093 0.000 0.977 382 Q CA 1.398 57.244 55.803 0.071 0.000 0.850 382 Q CB -0.131 28.633 28.738 0.043 0.000 0.901 382 Q HN 0.564 nan 8.270 nan 0.000 0.429 383 I N -0.161 120.484 120.570 0.125 0.000 2.315 383 I HA -0.225 3.945 4.170 0.001 0.000 0.248 383 I C 1.047 177.218 176.117 0.090 0.000 1.117 383 I CA 1.038 62.404 61.300 0.110 0.000 1.404 383 I CB -0.134 37.957 38.000 0.151 0.000 1.071 383 I HN 0.203 nan 8.210 nan 0.000 0.419 384 H N -0.284 118.814 119.070 0.046 0.000 2.567 384 H HA 0.081 4.637 4.556 0.001 0.000 0.294 384 H C 1.324 176.699 175.328 0.079 0.000 1.050 384 H CA 0.827 56.907 56.048 0.053 0.000 1.168 384 H CB -0.059 29.735 29.762 0.053 0.000 1.422 384 H HN 0.328 nan 8.280 nan 0.000 0.562 385 T N -3.949 110.698 114.554 0.155 0.000 3.009 385 T HA -0.006 4.345 4.350 0.001 0.000 0.267 385 T C 1.665 176.416 174.700 0.085 0.000 0.942 385 T CA -0.321 61.865 62.100 0.144 0.000 0.883 385 T CB 0.197 69.167 68.868 0.169 0.000 1.192 385 T HN 0.333 nan 8.240 nan 0.000 0.524 386 K N 1.878 122.312 120.400 0.056 0.000 2.293 386 K HA -0.122 4.198 4.320 0.001 0.000 0.204 386 K C 1.189 177.810 176.600 0.036 0.000 1.045 386 K CA 1.641 57.949 56.287 0.036 0.000 0.933 386 K CB -0.480 32.027 32.500 0.013 0.000 0.736 386 K HN 0.209 nan 8.250 nan 0.000 0.463 387 N N 0.558 119.278 118.700 0.034 0.000 2.205 387 N HA 0.142 4.883 4.740 0.001 0.000 0.201 387 N C 0.073 175.619 175.510 0.060 0.000 1.128 387 N CA 0.249 53.324 53.050 0.042 0.000 0.867 387 N CB 0.399 38.896 38.487 0.016 0.000 0.996 387 N HN 0.453 nan 8.380 nan 0.000 0.503 388 M N -1.505 118.136 119.600 0.068 0.000 2.724 388 M HA 0.464 4.944 4.480 0.001 0.000 0.310 388 M C -0.311 176.029 176.300 0.067 0.000 1.217 388 M CA -0.820 54.524 55.300 0.074 0.000 0.894 388 M CB 2.240 34.898 32.600 0.097 0.000 1.719 388 M HN -0.354 nan 8.290 nan 0.000 0.479 389 K N 2.325 122.759 120.400 0.057 0.000 2.231 389 K HA 0.495 4.815 4.320 0.001 0.000 0.275 389 K C -1.312 175.319 176.600 0.052 0.000 1.105 389 K CA -0.281 56.031 56.287 0.041 0.000 0.931 389 K CB 0.302 32.815 32.500 0.021 0.000 1.296 389 K HN 0.686 nan 8.250 nan 0.000 0.446 390 L N 3.101 124.350 121.223 0.042 0.000 2.395 390 L HA 0.340 4.680 4.340 0.001 0.000 0.269 390 L C 0.543 177.413 176.870 -0.000 0.000 1.133 390 L CA -0.677 54.177 54.840 0.023 0.000 0.812 390 L CB 1.350 43.392 42.059 -0.029 0.000 1.125 390 L HN 0.635 nan 8.230 nan 0.000 0.452 391 A N 1.329 124.145 122.820 -0.006 0.000 2.322 391 A HA 0.111 4.431 4.320 0.001 0.000 0.269 391 A C 0.804 178.369 177.584 -0.032 0.000 1.094 391 A CA -0.469 51.562 52.037 -0.010 0.000 0.807 391 A CB 0.303 19.305 19.000 0.004 0.000 1.047 391 A HN 0.853 nan 8.150 nan 0.000 0.487 392 D N 0.534 120.920 120.400 -0.023 0.000 2.311 392 D HA -0.164 4.477 4.640 0.001 0.000 0.212 392 D C 0.882 177.161 176.300 -0.035 0.000 0.972 392 D CA 1.820 55.804 54.000 -0.027 0.000 0.887 392 D CB 0.002 40.792 40.800 -0.017 0.000 0.915 392 D HN 0.774 nan 8.370 nan 0.000 0.497 393 D N -0.554 119.827 120.400 -0.032 0.000 2.347 393 D HA -0.072 4.568 4.640 0.001 0.000 0.213 393 D C 0.649 176.912 176.300 -0.061 0.000 0.985 393 D CA 0.011 53.992 54.000 -0.032 0.000 0.879 393 D CB -0.156 40.636 40.800 -0.013 0.000 0.919 393 D HN -0.089 nan 8.370 nan 0.000 0.526 394 V N 1.617 121.472 119.914 -0.099 0.000 2.439 394 V HA 0.087 4.207 4.120 0.001 0.000 0.271 394 V C 0.110 176.097 176.094 -0.177 0.000 1.040 394 V CA -0.262 61.921 62.300 -0.196 0.000 1.002 394 V CB 0.817 32.456 31.823 -0.306 0.000 1.000 394 V HN 0.144 nan 8.190 nan 0.000 0.477 395 D N 5.020 125.321 120.400 -0.164 0.000 2.477 395 D HA 0.257 4.898 4.640 0.001 0.000 0.239 395 D C 1.020 177.237 176.300 -0.139 0.000 1.102 395 D CA -0.320 53.610 54.000 -0.118 0.000 0.901 395 D CB 1.190 41.947 40.800 -0.072 0.000 1.026 395 D HN 0.432 nan 8.370 nan 0.000 0.515 396 L N 2.178 123.309 121.223 -0.153 0.000 2.129 396 L HA -0.167 4.173 4.340 0.001 0.000 0.212 396 L C 2.153 178.976 176.870 -0.079 0.000 1.087 396 L CA 1.086 55.848 54.840 -0.130 0.000 0.757 396 L CB -0.111 41.891 42.059 -0.095 0.000 0.896 396 L HN 0.433 nan 8.230 nan 0.000 0.434 397 E N -0.330 119.831 120.200 -0.065 0.000 2.268 397 E HA -0.268 4.082 4.350 0.001 0.000 0.195 397 E C 2.087 178.656 176.600 -0.051 0.000 0.995 397 E CA 0.770 57.140 56.400 -0.050 0.000 0.836 397 E CB 0.212 29.890 29.700 -0.037 0.000 0.763 397 E HN 0.321 nan 8.360 nan 0.000 0.491 398 Q N -0.291 119.477 119.800 -0.053 0.000 2.033 398 Q HA -0.062 4.278 4.340 0.001 0.000 0.196 398 Q C 2.068 178.040 176.000 -0.047 0.000 0.970 398 Q CA 1.655 57.434 55.803 -0.040 0.000 0.828 398 Q CB -0.221 28.497 28.738 -0.034 0.000 0.895 398 Q HN 0.212 nan 8.270 nan 0.000 0.440 399 V N 1.243 121.129 119.914 -0.046 0.000 2.282 399 V HA -0.330 3.790 4.120 0.001 0.000 0.249 399 V C 2.330 178.369 176.094 -0.091 0.000 1.057 399 V CA 2.042 64.324 62.300 -0.030 0.000 1.032 399 V CB -1.505 30.337 31.823 0.032 0.000 0.645 399 V HN 0.509 nan 8.190 nan 0.000 0.447 400 A N -0.179 122.585 122.820 -0.095 0.000 1.940 400 A HA -0.206 4.114 4.320 0.001 0.000 0.219 400 A C 1.727 179.171 177.584 -0.234 0.000 1.176 400 A CA 1.787 53.739 52.037 -0.142 0.000 0.631 400 A CB -0.603 18.339 19.000 -0.096 0.000 0.814 400 A HN 0.538 nan 8.150 nan 0.000 0.446 401 N N 0.833 119.436 118.700 -0.162 0.000 3.259 401 N HA 0.107 4.848 4.740 0.001 0.000 0.308 401 N C -0.112 175.339 175.510 -0.099 0.000 1.334 401 N CA 0.829 53.783 53.050 -0.159 0.000 1.202 401 N CB -0.233 38.236 38.487 -0.030 0.000 1.485 401 N HN 0.795 nan 8.380 nan 0.000 0.549 402 E N -3.034 117.003 120.200 -0.272 0.000 2.385 402 E HA -0.057 4.293 4.350 0.001 0.000 0.093 402 E C -0.543 175.937 176.600 -0.199 0.000 0.756 402 E CA -0.112 56.247 56.400 -0.068 0.000 1.441 402 E CB -1.139 28.566 29.700 0.008 0.000 1.215 402 E HN 0.116 nan 8.360 nan 0.000 0.451 403 T N -2.510 111.782 114.554 -0.437 0.000 3.339 403 T HA 0.238 4.588 4.350 0.001 0.000 0.292 403 T C 1.027 175.493 174.700 -0.390 0.000 1.012 403 T CA -0.350 61.367 62.100 -0.638 0.000 0.937 403 T CB -0.384 68.141 68.868 -0.571 0.000 1.164 403 T HN 0.137 nan 8.240 nan 0.000 0.509 404 H N 2.316 121.319 119.070 -0.111 0.000 2.306 404 H HA -0.178 4.378 4.556 0.001 0.000 0.289 404 H C 2.577 177.941 175.328 0.061 0.000 1.081 404 H CA 2.439 58.480 56.048 -0.012 0.000 1.163 404 H CB -0.987 28.774 29.762 -0.001 0.000 1.357 404 H HN 0.556 nan 8.280 nan 0.000 0.524 405 G N 1.456 110.413 108.800 0.262 0.000 2.442 405 G HA2 -0.213 3.748 3.960 0.001 0.000 0.219 405 G HA3 -0.213 3.748 3.960 0.001 0.000 0.219 405 G C 0.200 175.227 174.900 0.212 0.000 1.141 405 G CA 0.767 45.992 45.100 0.208 0.000 0.763 405 G HN 0.433 nan 8.290 nan 0.000 0.554 406 H N -0.461 118.617 119.070 0.013 0.000 3.119 406 H HA 0.246 4.802 4.556 0.001 0.000 0.334 406 H C 0.868 176.188 175.328 -0.013 0.000 1.042 406 H CA 0.239 56.282 56.048 -0.009 0.000 1.354 406 H CB 0.408 30.156 29.762 -0.023 0.000 1.285 406 H HN 0.281 nan 8.280 nan 0.000 0.601 407 V N -0.335 119.632 119.914 0.090 0.000 3.177 407 V HA 0.629 4.750 4.120 0.001 0.000 0.319 407 V C 1.516 177.619 176.094 0.015 0.000 1.125 407 V CA -0.263 62.061 62.300 0.040 0.000 1.029 407 V CB 1.495 33.328 31.823 0.017 0.000 1.119 407 V HN 0.780 nan 8.190 nan 0.000 0.452 408 G N 0.270 109.067 108.800 -0.005 0.000 2.599 408 G HA2 -0.284 3.676 3.960 0.001 0.000 0.219 408 G HA3 -0.284 3.676 3.960 0.001 0.000 0.219 408 G C 1.532 176.382 174.900 -0.084 0.000 1.193 408 G CA 1.917 46.989 45.100 -0.045 0.000 0.778 408 G HN 1.592 nan 8.290 nan 0.000 0.589 409 A N 0.671 123.466 122.820 -0.043 0.000 1.948 409 A HA -0.147 4.173 4.320 0.001 0.000 0.220 409 A C 2.128 179.681 177.584 -0.051 0.000 1.177 409 A CA 2.321 54.333 52.037 -0.041 0.000 0.636 409 A CB -0.491 18.499 19.000 -0.015 0.000 0.815 409 A HN 0.365 nan 8.150 nan 0.000 0.449 410 D N -0.043 120.335 120.400 -0.037 0.000 2.084 410 D HA -0.098 4.543 4.640 0.001 0.000 0.196 410 D C 2.014 178.319 176.300 0.009 0.000 0.985 410 D CA 1.316 55.304 54.000 -0.021 0.000 0.826 410 D CB -0.371 40.412 40.800 -0.029 0.000 0.978 410 D HN 0.476 nan 8.370 nan 0.000 0.456 411 L N 0.921 122.144 121.223 -0.000 0.000 2.079 411 L HA -0.163 4.177 4.340 0.001 0.000 0.210 411 L C 2.613 179.412 176.870 -0.118 0.000 1.081 411 L CA 1.119 55.940 54.840 -0.031 0.000 0.752 411 L CB -0.469 41.555 42.059 -0.059 0.000 0.896 411 L HN -0.043 nan 8.230 nan 0.000 0.433 412 A N 0.232 122.905 122.820 -0.244 0.000 1.877 412 A HA -0.150 4.170 4.320 0.001 0.000 0.216 412 A C 2.561 180.112 177.584 -0.056 0.000 1.186 412 A CA 1.763 53.615 52.037 -0.308 0.000 0.620 412 A CB -0.789 18.012 19.000 -0.333 0.000 0.822 412 A HN 0.379 nan 8.150 nan 0.000 0.443 413 A N -0.812 121.983 122.820 -0.042 0.000 1.972 413 A HA -0.000 4.320 4.320 0.001 0.000 0.219 413 A C 2.096 179.664 177.584 -0.026 0.000 1.169 413 A CA 1.665 53.693 52.037 -0.016 0.000 0.635 413 A CB -0.563 18.424 19.000 -0.021 0.000 0.810 413 A HN 0.564 nan 8.150 nan 0.000 0.446 414 L N -0.034 121.171 121.223 -0.031 0.000 1.989 414 L HA -0.198 4.143 4.340 0.001 0.000 0.211 414 L C 2.562 179.357 176.870 -0.125 0.000 1.071 414 L CA 2.213 57.024 54.840 -0.048 0.000 0.749 414 L CB -1.007 41.052 42.059 0.001 0.000 0.890 414 L HN 0.497 nan 8.230 nan 0.000 0.431 415 C N -1.387 117.858 119.300 -0.091 0.000 2.413 415 C HA -0.173 4.287 4.460 0.001 0.000 0.276 415 C C 2.936 177.854 174.990 -0.121 0.000 1.236 415 C CA 1.190 60.127 59.018 -0.134 0.000 1.735 415 C CB -1.245 26.545 27.740 0.082 0.000 2.031 415 C HN 0.634 nan 8.230 nan 0.000 0.474 416 S N 0.219 115.902 115.700 -0.027 0.000 2.365 416 S HA -0.191 4.279 4.470 0.001 0.000 0.225 416 S C 1.890 176.478 174.600 -0.020 0.000 1.039 416 S CA 1.454 59.650 58.200 -0.007 0.000 1.033 416 S CB -0.343 62.868 63.200 0.019 0.000 0.887 416 S HN 0.597 nan 8.310 nan 0.000 0.447 417 E N 1.102 121.290 120.200 -0.019 0.000 2.110 417 E HA -0.050 4.301 4.350 0.001 0.000 0.193 417 E C 2.339 178.968 176.600 0.049 0.000 0.988 417 E CA 1.026 57.457 56.400 0.053 0.000 0.804 417 E CB -0.541 29.198 29.700 0.064 0.000 0.745 417 E HN 0.469 nan 8.360 nan 0.000 0.458 418 A N 1.613 124.351 122.820 -0.137 0.000 1.865 418 A HA -0.172 4.148 4.320 0.001 0.000 0.217 418 A C 2.458 179.956 177.584 -0.143 0.000 1.191 418 A CA 2.482 54.357 52.037 -0.270 0.000 0.623 418 A CB -0.837 17.548 19.000 -1.026 0.000 0.826 418 A HN 0.285 nan 8.150 nan 0.000 0.444 419 A N -0.114 122.633 122.820 -0.121 0.000 1.859 419 A HA -0.152 4.169 4.320 0.001 0.000 0.217 419 A C 2.194 179.761 177.584 -0.030 0.000 1.198 419 A CA 1.763 53.778 52.037 -0.038 0.000 0.629 419 A CB -0.895 18.099 19.000 -0.010 0.000 0.830 419 A HN 0.515 nan 8.150 nan 0.000 0.446 420 L N -0.984 120.228 121.223 -0.018 0.000 2.043 420 L HA -0.291 4.049 4.340 0.001 0.000 0.212 420 L C 2.871 179.702 176.870 -0.065 0.000 1.075 420 L CA 1.864 56.693 54.840 -0.018 0.000 0.752 420 L CB -0.655 41.415 42.059 0.017 0.000 0.891 420 L HN 0.546 nan 8.230 nan 0.000 0.432 421 Q N 0.612 120.355 119.800 -0.095 0.000 1.975 421 Q HA -0.214 4.126 4.340 0.001 0.000 0.205 421 Q C 2.272 178.156 176.000 -0.193 0.000 0.990 421 Q CA 2.422 58.061 55.803 -0.272 0.000 0.845 421 Q CB -0.578 27.947 28.738 -0.356 0.000 0.913 421 Q HN 0.388 nan 8.270 nan 0.000 0.420 422 A N 0.337 123.089 122.820 -0.112 0.000 1.971 422 A HA -0.239 4.082 4.320 0.001 0.000 0.222 422 A C 2.233 179.778 177.584 -0.064 0.000 1.182 422 A CA 1.995 53.992 52.037 -0.067 0.000 0.649 422 A CB -1.009 17.984 19.000 -0.011 0.000 0.818 422 A HN 0.550 nan 8.150 nan 0.000 0.458 423 I N -1.604 118.931 120.570 -0.058 0.000 2.286 423 I HA -0.209 3.962 4.170 0.001 0.000 0.245 423 I C 2.766 178.845 176.117 -0.063 0.000 1.104 423 I CA 1.146 62.418 61.300 -0.046 0.000 1.397 423 I CB -0.377 37.604 38.000 -0.031 0.000 1.072 423 I HN 0.297 nan 8.210 nan 0.000 0.417 424 R N 0.849 121.295 120.500 -0.091 0.000 2.096 424 R HA -0.155 4.185 4.340 0.001 0.000 0.235 424 R C 2.229 178.465 176.300 -0.108 0.000 1.127 424 R CA 1.276 57.315 56.100 -0.102 0.000 0.968 424 R CB -0.145 30.071 30.300 -0.140 0.000 0.861 424 R HN 0.385 nan 8.270 nan 0.000 0.440 425 K N 0.750 121.073 120.400 -0.128 0.000 1.975 425 K HA -0.118 4.202 4.320 0.001 0.000 0.217 425 K C 2.008 178.566 176.600 -0.071 0.000 1.037 425 K CA 1.382 57.602 56.287 -0.111 0.000 0.971 425 K CB -0.106 32.321 32.500 -0.121 0.000 0.749 425 K HN -0.110 nan 8.250 nan 0.000 0.444 426 K N 0.075 120.440 120.400 -0.058 0.000 2.211 426 K HA -0.077 4.243 4.320 0.001 0.000 0.203 426 K C 2.143 178.722 176.600 -0.034 0.000 1.050 426 K CA 1.819 58.082 56.287 -0.040 0.000 0.945 426 K CB -0.090 32.391 32.500 -0.031 0.000 0.732 426 K HN 0.242 nan 8.250 nan 0.000 0.451 427 M N 0.470 120.049 119.600 -0.036 0.000 2.544 427 M HA 0.015 4.495 4.480 0.001 0.000 0.251 427 M C 1.941 178.224 176.300 -0.028 0.000 1.189 427 M CA 1.727 57.010 55.300 -0.028 0.000 1.218 427 M CB -1.101 31.484 32.600 -0.024 0.000 1.259 427 M HN 0.271 nan 8.290 nan 0.000 0.495 428 D N 0.613 120.994 120.400 -0.033 0.000 2.191 428 D HA -0.200 4.440 4.640 0.001 0.000 0.195 428 D C 1.683 177.966 176.300 -0.027 0.000 1.003 428 D CA 2.145 56.127 54.000 -0.030 0.000 0.867 428 D CB -0.309 40.470 40.800 -0.036 0.000 0.926 428 D HN 0.659 nan 8.370 nan 0.000 0.450 429 L N 0.058 121.263 121.223 -0.031 0.000 2.117 429 L HA -0.018 4.323 4.340 0.001 0.000 0.200 429 L C 2.425 179.282 176.870 -0.022 0.000 1.110 429 L CA -0.013 54.811 54.840 -0.027 0.000 0.774 429 L CB -0.503 41.538 42.059 -0.031 0.000 0.934 429 L HN -0.060 nan 8.230 nan 0.000 0.456 430 I N 0.260 120.816 120.570 -0.023 0.000 3.055 430 I HA -0.180 3.991 4.170 0.001 0.000 0.277 430 I C 0.277 176.384 176.117 -0.017 0.000 1.306 430 I CA 1.174 62.463 61.300 -0.019 0.000 1.426 430 I CB -1.682 36.306 38.000 -0.020 0.000 1.081 430 I HN 0.392 nan 8.210 nan 0.000 0.502 431 D N 0.280 120.670 120.400 -0.017 0.000 3.118 431 D HA 0.100 4.740 4.640 0.001 0.000 0.286 431 D C 0.572 176.864 176.300 -0.013 0.000 1.255 431 D CA -0.150 53.842 54.000 -0.014 0.000 0.748 431 D CB -0.188 40.604 40.800 -0.014 0.000 1.332 431 D HN 0.083 nan 8.370 nan 0.000 0.575 432 L N 1.032 122.248 121.223 -0.012 0.000 2.599 432 L HA 0.164 4.504 4.340 0.001 0.000 0.230 432 L C 0.651 177.516 176.870 -0.008 0.000 1.141 432 L CA 0.295 55.128 54.840 -0.011 0.000 0.877 432 L CB 0.036 42.088 42.059 -0.011 0.000 1.009 432 L HN 0.288 nan 8.230 nan 0.000 0.447 433 E N -0.956 119.239 120.200 -0.008 0.000 2.249 433 E HA 0.214 4.565 4.350 0.001 0.000 0.280 433 E C -0.942 175.655 176.600 -0.005 0.000 1.016 433 E CA -0.808 55.588 56.400 -0.006 0.000 0.830 433 E CB 1.466 31.163 29.700 -0.005 0.000 1.081 433 E HN -0.037 nan 8.360 nan 0.000 0.395 434 D N 0.835 121.233 120.400 -0.003 0.000 2.411 434 D HA 0.304 4.944 4.640 0.001 0.000 0.251 434 D C 0.286 176.585 176.300 -0.001 0.000 1.201 434 D CA 1.525 55.524 54.000 -0.002 0.000 0.996 434 D CB 0.588 41.387 40.800 -0.002 0.000 1.101 434 D HN 0.732 nan 8.370 nan 0.000 0.504 435 E N -1.027 119.173 120.200 0.001 0.000 2.702 435 E HA -0.142 4.208 4.350 0.001 0.000 0.292 435 E C 0.176 176.778 176.600 0.003 0.000 0.987 435 E CA 1.045 57.447 56.400 0.003 0.000 0.887 435 E CB -2.809 26.892 29.700 0.003 0.000 1.417 435 E HN 0.347 nan 8.360 nan 0.000 0.403 436 T N -0.601 113.955 114.554 0.002 0.000 3.331 436 T HA 0.405 4.756 4.350 0.001 0.000 0.282 436 T C 1.696 176.398 174.700 0.004 0.000 1.010 436 T CA 0.235 62.336 62.100 0.002 0.000 0.928 436 T CB -0.825 68.041 68.868 -0.003 0.000 1.154 436 T HN 0.978 nan 8.240 nan 0.000 0.516 437 I N -1.674 118.901 120.570 0.008 0.000 3.241 437 I HA 0.107 4.277 4.170 0.001 0.000 0.280 437 I C -0.342 175.786 176.117 0.019 0.000 1.320 437 I CA 0.008 61.315 61.300 0.012 0.000 1.413 437 I CB -0.592 37.415 38.000 0.012 0.000 1.060 437 I HN -0.069 nan 8.210 nan 0.000 0.500 438 D N 2.653 123.063 120.400 0.017 0.000 2.571 438 D HA 0.084 4.725 4.640 0.001 0.000 0.231 438 D C 1.336 177.650 176.300 0.024 0.000 1.133 438 D CA 0.822 54.836 54.000 0.023 0.000 0.862 438 D CB 1.229 42.037 40.800 0.013 0.000 1.179 438 D HN 0.352 nan 8.370 nan 0.000 0.474 439 A N 2.992 125.838 122.820 0.043 0.000 2.168 439 A HA -0.127 4.193 4.320 0.001 0.000 0.215 439 A C 1.636 179.205 177.584 -0.025 0.000 1.152 439 A CA 0.927 52.991 52.037 0.045 0.000 0.716 439 A CB -0.227 18.857 19.000 0.140 0.000 0.794 439 A HN 0.568 nan 8.150 nan 0.000 0.465 440 E N -0.290 119.895 120.200 -0.025 0.000 2.051 440 E HA -0.063 4.288 4.350 0.001 0.000 0.189 440 E C 1.846 178.420 176.600 -0.044 0.000 0.979 440 E CA 1.105 57.474 56.400 -0.052 0.000 0.803 440 E CB -0.513 29.164 29.700 -0.038 0.000 0.761 440 E HN 0.296 nan 8.360 nan 0.000 0.451 441 V N 1.129 121.028 119.914 -0.025 0.000 2.255 441 V HA -0.295 3.826 4.120 0.001 0.000 0.247 441 V C 2.207 178.288 176.094 -0.021 0.000 1.051 441 V CA 1.724 64.012 62.300 -0.021 0.000 1.018 441 V CB -0.473 31.343 31.823 -0.012 0.000 0.641 441 V HN 0.318 nan 8.190 nan 0.000 0.445 442 M N 0.193 119.784 119.600 -0.014 0.000 2.279 442 M HA -0.146 4.334 4.480 0.001 0.000 0.264 442 M C 2.068 178.355 176.300 -0.022 0.000 1.062 442 M CA 1.357 56.653 55.300 -0.008 0.000 1.099 442 M CB -1.777 30.830 32.600 0.011 0.000 1.394 442 M HN 0.546 nan 8.290 nan 0.000 0.426 443 N N 0.174 118.841 118.700 -0.055 0.000 2.354 443 N HA -0.094 4.646 4.740 0.001 0.000 0.179 443 N C 1.465 176.939 175.510 -0.061 0.000 1.021 443 N CA 1.569 54.565 53.050 -0.090 0.000 0.887 443 N CB 0.345 38.729 38.487 -0.172 0.000 0.974 443 N HN 0.409 nan 8.380 nan 0.000 0.437 444 S N 0.183 115.855 115.700 -0.046 0.000 2.458 444 S HA 0.097 4.567 4.470 0.001 0.000 0.223 444 S C 1.089 175.677 174.600 -0.020 0.000 1.019 444 S CA -0.333 57.846 58.200 -0.034 0.000 0.937 444 S CB -0.207 62.973 63.200 -0.034 0.000 0.788 444 S HN 0.245 nan 8.310 nan 0.000 0.511 445 L N 2.673 123.887 121.223 -0.015 0.000 2.562 445 L HA 0.433 4.774 4.340 0.001 0.000 0.271 445 L C 0.094 176.969 176.870 0.007 0.000 1.167 445 L CA -0.383 54.453 54.840 -0.006 0.000 0.917 445 L CB 0.334 42.390 42.059 -0.005 0.000 1.187 445 L HN 0.392 nan 8.230 nan 0.000 0.482 446 A N 5.159 127.987 122.820 0.012 0.000 2.320 446 A HA 0.672 4.993 4.320 0.001 0.000 0.334 446 A C -0.792 176.825 177.584 0.054 0.000 1.147 446 A CA -0.557 51.498 52.037 0.030 0.000 0.820 446 A CB 1.646 20.659 19.000 0.021 0.000 1.218 446 A HN 0.475 nan 8.150 nan 0.000 0.482 447 V N 2.429 122.402 119.914 0.098 0.000 2.350 447 V HA 0.434 4.554 4.120 0.001 0.000 0.276 447 V C 0.770 176.974 176.094 0.184 0.000 1.028 447 V CA -0.089 62.313 62.300 0.171 0.000 0.860 447 V CB 0.935 32.938 31.823 0.301 0.000 0.990 447 V HN 1.063 nan 8.190 nan 0.000 0.453 448 T N 2.297 116.947 114.554 0.159 0.000 2.913 448 T HA 0.334 4.685 4.350 0.001 0.000 0.287 448 T C 0.921 175.736 174.700 0.191 0.000 1.008 448 T CA -0.594 61.578 62.100 0.121 0.000 1.067 448 T CB 1.123 70.036 68.868 0.075 0.000 0.996 448 T HN 0.459 nan 8.240 nan 0.000 0.513 449 M N 0.842 120.491 119.600 0.082 0.000 2.530 449 M HA -0.013 4.468 4.480 0.001 0.000 0.261 449 M C 1.208 177.606 176.300 0.164 0.000 1.067 449 M CA 1.297 56.638 55.300 0.070 0.000 1.071 449 M CB -1.317 31.276 32.600 -0.012 0.000 1.405 449 M HN 0.799 nan 8.290 nan 0.000 0.478 450 D N -0.283 120.207 120.400 0.150 0.000 2.249 450 D HA -0.090 4.550 4.640 0.001 0.000 0.205 450 D C 1.282 177.700 176.300 0.196 0.000 0.962 450 D CA 0.950 55.035 54.000 0.142 0.000 0.860 450 D CB 0.089 40.941 40.800 0.086 0.000 0.955 450 D HN 0.417 nan 8.370 nan 0.000 0.505 451 D N -0.672 119.862 120.400 0.224 0.000 2.162 451 D HA -0.096 4.545 4.640 0.001 0.000 0.203 451 D C 1.645 178.099 176.300 0.257 0.000 0.967 451 D CA 0.502 54.624 54.000 0.204 0.000 0.840 451 D CB -0.213 40.660 40.800 0.121 0.000 0.972 451 D HN 0.277 nan 8.370 nan 0.000 0.482 452 F N 1.098 121.124 119.950 0.126 0.000 2.365 452 F HA -0.014 4.514 4.527 0.001 0.000 0.300 452 F C 2.501 178.362 175.800 0.102 0.000 1.090 452 F CA 0.559 58.622 58.000 0.105 0.000 1.408 452 F CB -0.096 38.940 39.000 0.059 0.000 1.060 452 F HN -0.200 nan 8.300 nan 0.000 0.534 453 R N -1.351 119.324 120.500 0.292 0.000 2.153 453 R HA -0.142 4.198 4.340 0.001 0.000 0.218 453 R C 1.948 178.361 176.300 0.188 0.000 1.072 453 R CA 1.044 57.261 56.100 0.195 0.000 0.990 453 R CB -0.450 29.950 30.300 0.167 0.000 0.889 453 R HN 0.398 nan 8.270 nan 0.000 0.452 454 W N 0.110 121.435 121.300 0.041 0.000 2.444 454 W HA 0.084 4.745 4.660 0.001 0.000 0.308 454 W C 1.937 178.455 176.519 -0.002 0.000 1.183 454 W CA 1.425 58.779 57.345 0.015 0.000 1.340 454 W CB -0.475 28.987 29.460 0.004 0.000 1.138 454 W HN 0.079 nan 8.180 nan 0.000 0.510 455 A N 0.566 123.452 122.820 0.109 0.000 1.940 455 A HA -0.208 4.113 4.320 0.001 0.000 0.219 455 A C 2.069 179.555 177.584 -0.164 0.000 1.176 455 A CA 1.904 53.873 52.037 -0.114 0.000 0.631 455 A CB -1.098 17.883 19.000 -0.031 0.000 0.814 455 A HN 0.421 nan 8.150 nan 0.000 0.446 456 L N -0.255 120.932 121.223 -0.059 0.000 2.017 456 L HA -0.126 4.215 4.340 0.001 0.000 0.208 456 L C 1.286 178.099 176.870 -0.096 0.000 1.073 456 L CA 1.203 56.023 54.840 -0.033 0.000 0.745 456 L CB -0.368 41.700 42.059 0.016 0.000 0.894 456 L HN 0.217 nan 8.230 nan 0.000 0.432 457 S N 0.209 115.813 115.700 -0.160 0.000 4.085 457 S HA 0.197 4.668 4.470 0.001 0.000 0.189 457 S C -0.126 174.268 174.600 -0.344 0.000 1.392 457 S CA 0.118 58.200 58.200 -0.198 0.000 0.972 457 S CB -0.140 62.963 63.200 -0.162 0.000 1.482 457 S HN 0.245 nan 8.310 nan 0.000 0.446 458 Q N 0.000 119.634 119.800 -0.277 0.000 2.315 458 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 458 Q CA 0.000 55.621 55.803 -0.304 0.000 1.022 458 Q CB 0.000 28.457 28.738 -0.468 0.000 1.108 458 Q HN 0.000 nan 8.270 nan 0.000 0.481