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 1b3b_1_E DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMDLPFGGG DATA SEQUENCE KGGVRVDPKK LSRNELERLS RRFFSEIQVI IGPYNDIPAP DVNTNADVIA DATA SEQUENCE WYMDTYSMNV GHTVLGIVTG KPVELGGSKG REEATGRGVK VCAGLAMDVL DATA SEQUENCE GIDPKKATVA VQGFGNVGQF AALLISQELG SKVVAVSDSR GGIYNPEGFD DATA SEQUENCE VEELIRYKKE HGTVVTYPKG ERITNEELLE LDVDILVPAA LEGAIHAGNA DATA SEQUENCE ERIKAKAVVE GANGPTTPEA DEILSRRGIL VVPDILANAG GVTVSYFEWV DATA SEQUENCE QDLQSFFWDL DQVRNALEKM MKKAFNDVMK VKEKYNVDMR TAAYILAIDR DATA SEQUENCE VAYATKKRG 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.595 174.600 -0.009 0.000 1.055 4 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 4 S CB 0.000 63.211 63.200 0.019 0.000 0.593 5 L N 1.547 122.778 121.223 0.013 0.000 2.043 5 L HA 0.038 4.378 4.340 -0.000 0.000 0.212 5 L C 2.029 178.889 176.870 -0.016 0.000 1.075 5 L CA 2.470 57.324 54.840 0.022 0.000 0.752 5 L CB -1.393 40.694 42.059 0.046 0.000 0.891 5 L HN 0.911 nan 8.230 nan 0.000 0.432 6 Y N 0.535 120.750 120.300 -0.143 0.000 2.133 6 Y HA -0.200 4.350 4.550 0.000 0.000 0.287 6 Y C 2.455 178.172 175.900 -0.304 0.000 1.134 6 Y CA 2.040 59.986 58.100 -0.256 0.000 1.133 6 Y CB -0.361 37.970 38.460 -0.216 0.000 0.987 6 Y HN 0.354 nan 8.280 nan 0.000 0.502 7 E N -0.180 119.813 120.200 -0.345 0.000 2.130 7 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 7 E C 2.205 178.585 176.600 -0.366 0.000 0.998 7 E CA 1.956 58.127 56.400 -0.381 0.000 0.806 7 E CB -0.268 29.344 29.700 -0.147 0.000 0.738 7 E HN 0.551 nan 8.360 nan 0.000 0.459 8 M N 0.059 119.514 119.600 -0.242 0.000 2.117 8 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 8 M C 2.516 178.693 176.300 -0.205 0.000 1.065 8 M CA 1.464 56.673 55.300 -0.152 0.000 1.114 8 M CB -0.267 32.308 32.600 -0.041 0.000 1.361 8 M HN 0.155 nan 8.290 nan 0.000 0.408 9 A N -0.136 122.458 122.820 -0.378 0.000 1.933 9 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 9 A C 2.254 179.325 177.584 -0.855 0.000 1.175 9 A CA 1.537 53.181 52.037 -0.655 0.000 0.628 9 A CB -0.986 17.276 19.000 -1.229 0.000 0.814 9 A HN 0.297 nan 8.150 nan 0.000 0.444 10 V N -0.056 119.256 119.914 -1.003 0.000 2.287 10 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 10 V C 2.500 178.447 176.094 -0.245 0.000 1.053 10 V CA 2.379 64.234 62.300 -0.741 0.000 1.027 10 V CB -0.722 30.664 31.823 -0.729 0.000 0.646 10 V HN 0.715 nan 8.190 nan 0.000 0.447 11 E N -0.467 119.593 120.200 -0.233 0.000 2.049 11 E HA -0.311 4.039 4.350 -0.000 0.000 0.198 11 E C 2.386 178.922 176.600 -0.107 0.000 1.007 11 E CA 1.835 58.158 56.400 -0.128 0.000 0.809 11 E CB -0.149 29.485 29.700 -0.111 0.000 0.749 11 E HN 0.606 nan 8.360 nan 0.000 0.450 12 Q N -0.607 119.132 119.800 -0.100 0.000 2.152 12 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 12 Q C 2.100 177.976 176.000 -0.207 0.000 0.985 12 Q CA 1.642 57.365 55.803 -0.133 0.000 0.863 12 Q CB -0.247 28.491 28.738 -0.001 0.000 0.904 12 Q HN 0.343 nan 8.270 nan 0.000 0.422 13 F N 1.885 121.685 119.950 -0.249 0.000 2.113 13 F HA -0.164 4.363 4.527 0.000 0.000 0.297 13 F C 1.725 177.418 175.800 -0.179 0.000 1.103 13 F CA 1.300 59.168 58.000 -0.220 0.000 1.248 13 F CB -0.295 38.716 39.000 0.018 0.000 0.999 13 F HN 0.032 nan 8.300 nan 0.000 0.475 14 N N 0.780 119.326 118.700 -0.256 0.000 2.149 14 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 14 N C 2.007 177.334 175.510 -0.306 0.000 1.019 14 N CA 1.147 54.003 53.050 -0.323 0.000 0.857 14 N CB -0.537 37.885 38.487 -0.108 0.000 0.997 14 N HN 0.365 nan 8.380 nan 0.000 0.426 15 R N 0.531 120.886 120.500 -0.242 0.000 2.097 15 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 15 R C 1.987 178.155 176.300 -0.220 0.000 1.135 15 R CA 1.774 57.758 56.100 -0.193 0.000 0.934 15 R CB -0.318 29.879 30.300 -0.171 0.000 0.846 15 R HN 0.237 nan 8.270 nan 0.000 0.431 16 A N 0.104 122.748 122.820 -0.293 0.000 2.014 16 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 16 A C 2.162 179.553 177.584 -0.321 0.000 1.163 16 A CA 1.396 53.268 52.037 -0.275 0.000 0.652 16 A CB -0.367 18.478 19.000 -0.259 0.000 0.808 16 A HN 0.490 nan 8.150 nan 0.000 0.449 17 A N -0.830 121.699 122.820 -0.485 0.000 2.014 17 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 17 A C 2.303 179.747 177.584 -0.233 0.000 1.163 17 A CA 1.755 53.514 52.037 -0.462 0.000 0.652 17 A CB -0.484 18.054 19.000 -0.770 0.000 0.808 17 A HN 0.401 nan 8.150 nan 0.000 0.449 18 S N -0.348 115.238 115.700 -0.190 0.000 2.446 18 S HA 0.086 4.556 4.470 -0.000 0.000 0.225 18 S C 1.651 176.221 174.600 -0.049 0.000 1.016 18 S CA 0.265 58.404 58.200 -0.101 0.000 0.943 18 S CB -0.124 63.022 63.200 -0.090 0.000 0.786 18 S HN 0.421 nan 8.310 nan 0.000 0.508 19 L N 1.595 122.789 121.223 -0.048 0.000 2.141 19 L HA 0.115 4.455 4.340 -0.000 0.000 0.209 19 L C 1.068 178.028 176.870 0.151 0.000 1.094 19 L CA 1.234 56.102 54.840 0.047 0.000 0.763 19 L CB -0.816 41.258 42.059 0.026 0.000 0.908 19 L HN 0.497 nan 8.230 nan 0.000 0.437 20 M N -2.518 117.127 119.600 0.075 0.000 2.644 20 M HA 0.353 4.833 4.480 -0.000 0.000 0.316 20 M C -0.649 175.679 176.300 0.047 0.000 1.200 20 M CA -0.643 54.734 55.300 0.129 0.000 0.944 20 M CB 1.697 34.344 32.600 0.078 0.000 1.691 20 M HN -0.211 nan 8.290 nan 0.000 0.471 21 D N 3.177 123.612 120.400 0.057 0.000 2.498 21 D HA 0.317 4.957 4.640 -0.000 0.000 0.229 21 D C -1.262 175.058 176.300 0.033 0.000 1.188 21 D CA 0.201 54.220 54.000 0.032 0.000 1.028 21 D CB 0.316 41.135 40.800 0.031 0.000 1.087 21 D HN 0.418 nan 8.370 nan 0.000 0.510 22 L N 2.725 123.958 121.223 0.017 0.000 2.287 22 L HA 0.228 4.568 4.340 -0.000 0.000 0.287 22 L C -0.144 176.748 176.870 0.037 0.000 1.022 22 L CA -0.642 54.216 54.840 0.029 0.000 0.814 22 L CB 1.296 43.360 42.059 0.007 0.000 1.217 22 L HN -0.005 nan 8.230 nan 0.000 0.420 23 E N 2.449 122.681 120.200 0.052 0.000 2.652 23 E HA -0.068 4.282 4.350 -0.000 0.000 0.255 23 E C 1.094 177.729 176.600 0.059 0.000 0.952 23 E CA 0.703 57.134 56.400 0.051 0.000 0.947 23 E CB 0.647 30.380 29.700 0.055 0.000 0.912 23 E HN 0.675 nan 8.360 nan 0.000 0.489 24 S N 3.109 118.837 115.700 0.048 0.000 2.351 24 S HA -0.218 4.252 4.470 -0.000 0.000 0.220 24 S C 1.445 176.087 174.600 0.069 0.000 1.035 24 S CA 1.709 59.942 58.200 0.054 0.000 1.031 24 S CB -0.215 63.009 63.200 0.040 0.000 0.928 24 S HN 0.775 nan 8.310 nan 0.000 0.433 25 D N 1.108 121.542 120.400 0.057 0.000 2.190 25 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 25 D C 1.989 178.331 176.300 0.070 0.000 0.992 25 D CA 1.014 55.049 54.000 0.057 0.000 0.854 25 D CB -0.674 40.151 40.800 0.043 0.000 0.936 25 D HN 0.472 nan 8.370 nan 0.000 0.462 26 L N 0.868 122.138 121.223 0.079 0.000 2.095 26 L HA 0.166 4.506 4.340 -0.000 0.000 0.204 26 L C 2.498 179.451 176.870 0.139 0.000 1.080 26 L CA 1.791 56.687 54.840 0.093 0.000 0.759 26 L CB -0.914 41.199 42.059 0.090 0.000 0.914 26 L HN 0.065 nan 8.230 nan 0.000 0.439 27 A N -0.641 122.280 122.820 0.168 0.000 1.917 27 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 27 A C 2.221 179.967 177.584 0.270 0.000 1.182 27 A CA 1.881 54.084 52.037 0.277 0.000 0.633 27 A CB -0.726 18.412 19.000 0.230 0.000 0.819 27 A HN 0.537 nan 8.150 nan 0.000 0.448 28 E N -0.210 120.097 120.200 0.179 0.000 2.097 28 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 28 E C 2.344 179.020 176.600 0.127 0.000 1.000 28 E CA 1.799 58.287 56.400 0.147 0.000 0.804 28 E CB -0.579 29.182 29.700 0.101 0.000 0.740 28 E HN 0.661 nan 8.360 nan 0.000 0.454 29 V N -1.100 118.874 119.914 0.100 0.000 2.379 29 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 29 V C 2.420 178.539 176.094 0.043 0.000 1.044 29 V CA 1.267 63.600 62.300 0.054 0.000 1.036 29 V CB -0.855 30.984 31.823 0.027 0.000 0.664 29 V HN 0.118 nan 8.190 nan 0.000 0.453 30 L N -0.524 120.760 121.223 0.102 0.000 2.450 30 L HA -0.025 4.315 4.340 -0.000 0.000 0.224 30 L C 2.933 179.867 176.870 0.106 0.000 1.149 30 L CA 1.381 56.288 54.840 0.110 0.000 0.816 30 L CB -0.572 41.663 42.059 0.294 0.000 0.932 30 L HN 0.288 nan 8.230 nan 0.000 0.449 31 R N -0.146 120.444 120.500 0.150 0.000 2.048 31 R HA 0.084 4.424 4.340 -0.000 0.000 0.221 31 R C 0.724 177.310 176.300 0.477 0.000 1.174 31 R CA 0.280 56.533 56.100 0.255 0.000 0.971 31 R CB 0.109 30.529 30.300 0.200 0.000 0.863 31 R HN 0.210 nan 8.270 nan 0.000 0.439 32 R N 1.863 122.536 120.500 0.289 0.000 2.543 32 R HA 0.122 4.462 4.340 -0.000 0.000 0.277 32 R C -2.299 174.109 176.300 0.179 0.000 1.074 32 R CA -1.393 54.848 56.100 0.235 0.000 1.076 32 R CB 0.151 30.518 30.300 0.112 0.000 0.993 32 R HN 0.135 nan 8.270 nan 0.000 0.459 33 P HA 0.056 nan 4.420 nan 0.000 0.284 33 P C -0.461 176.812 177.300 -0.045 0.000 1.253 33 P CA -0.421 62.745 63.100 0.110 0.000 0.800 33 P CB 1.327 33.115 31.700 0.146 0.000 0.961 34 K N 2.590 122.919 120.400 -0.118 0.000 2.002 34 K HA -0.063 4.256 4.320 -0.000 0.000 0.209 34 K C 0.514 177.080 176.600 -0.058 0.000 1.048 34 K CA 1.175 57.406 56.287 -0.093 0.000 0.930 34 K CB 0.177 32.606 32.500 -0.118 0.000 0.714 34 K HN 0.413 nan 8.250 nan 0.000 0.438 35 R N -0.007 120.461 120.500 -0.053 0.000 2.686 35 R HA 0.404 4.744 4.340 -0.000 0.000 0.286 35 R C -1.648 174.637 176.300 -0.025 0.000 0.969 35 R CA -0.673 55.404 56.100 -0.037 0.000 0.898 35 R CB 2.594 32.870 30.300 -0.041 0.000 1.183 35 R HN -0.098 nan 8.270 nan 0.000 0.456 36 V N 4.496 124.403 119.914 -0.011 0.000 2.488 36 V HA 0.324 4.444 4.120 -0.000 0.000 0.293 36 V C -1.219 174.899 176.094 0.040 0.000 1.027 36 V CA -0.747 61.560 62.300 0.011 0.000 0.862 36 V CB 1.738 33.556 31.823 -0.007 0.000 1.008 36 V HN 0.499 nan 8.190 nan 0.000 0.428 37 L N 6.895 128.158 121.223 0.066 0.000 2.305 37 L HA 0.690 5.030 4.340 -0.000 0.000 0.284 37 L C -0.640 176.318 176.870 0.148 0.000 1.013 37 L CA 0.081 54.965 54.840 0.073 0.000 0.819 37 L CB 1.280 43.352 42.059 0.022 0.000 1.227 37 L HN 0.553 nan 8.230 nan 0.000 0.417 38 I N 6.302 126.958 120.570 0.144 0.000 2.339 38 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 38 I C -0.447 175.726 176.117 0.094 0.000 0.994 38 I CA -0.945 60.449 61.300 0.157 0.000 1.191 38 I CB 1.665 39.783 38.000 0.196 0.000 1.343 38 I HN 0.428 nan 8.210 nan 0.000 0.458 39 V N 2.614 122.590 119.914 0.104 0.000 2.628 39 V HA 0.608 4.728 4.120 -0.000 0.000 0.306 39 V C -0.497 175.706 176.094 0.181 0.000 1.045 39 V CA -0.526 61.885 62.300 0.186 0.000 0.905 39 V CB 2.106 34.112 31.823 0.306 0.000 0.997 39 V HN 0.633 nan 8.190 nan 0.000 0.436 40 E N 4.683 124.974 120.200 0.151 0.000 2.255 40 E HA 0.416 4.766 4.350 -0.000 0.000 0.245 40 E C -1.347 175.323 176.600 0.118 0.000 0.909 40 E CA 0.003 56.416 56.400 0.022 0.000 0.747 40 E CB 1.789 31.482 29.700 -0.012 0.000 1.215 40 E HN 0.801 nan 8.360 nan 0.000 0.424 41 F N 1.096 121.108 119.950 0.104 0.000 2.495 41 F HA 0.696 5.223 4.527 -0.000 0.000 0.327 41 F C -2.608 173.276 175.800 0.140 0.000 1.103 41 F CA -3.165 54.902 58.000 0.111 0.000 0.949 41 F CB 1.335 40.415 39.000 0.134 0.000 1.142 41 F HN -0.010 nan 8.300 nan 0.000 0.457 42 P HA 0.349 nan 4.420 nan 0.000 0.282 42 P C -1.138 176.296 177.300 0.225 0.000 1.249 42 P CA -0.432 62.759 63.100 0.151 0.000 0.806 42 P CB 2.305 34.055 31.700 0.084 0.000 0.984 43 V N 3.456 123.489 119.914 0.198 0.000 2.577 43 V HA 0.383 4.503 4.120 -0.000 0.000 0.303 43 V C 0.525 176.643 176.094 0.039 0.000 1.042 43 V CA -0.895 61.484 62.300 0.132 0.000 0.872 43 V CB 1.894 33.759 31.823 0.070 0.000 0.998 43 V HN 0.522 nan 8.190 nan 0.000 0.423 44 R N 4.983 125.481 120.500 -0.005 0.000 2.316 44 R HA 0.419 4.759 4.340 -0.000 0.000 0.314 44 R C -0.249 176.017 176.300 -0.058 0.000 1.069 44 R CA -0.410 55.662 56.100 -0.046 0.000 0.959 44 R CB 0.462 30.745 30.300 -0.028 0.000 0.987 44 R HN 0.585 nan 8.270 nan 0.000 0.446 45 M N 2.889 122.431 119.600 -0.097 0.000 2.291 45 M HA 0.083 4.563 4.480 -0.000 0.000 0.324 45 M C 1.006 177.310 176.300 0.006 0.000 1.148 45 M CA -0.145 55.132 55.300 -0.039 0.000 1.104 45 M CB 0.841 33.422 32.600 -0.031 0.000 1.483 45 M HN 0.634 nan 8.290 nan 0.000 0.467 46 D N 1.516 121.928 120.400 0.019 0.000 2.149 46 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 46 D C 0.934 177.259 176.300 0.042 0.000 1.001 46 D CA 2.151 56.162 54.000 0.019 0.000 0.849 46 D CB -0.225 40.584 40.800 0.016 0.000 0.939 46 D HN 0.743 nan 8.370 nan 0.000 0.449 47 D N -0.913 119.536 120.400 0.082 0.000 2.392 47 D HA 0.050 4.690 4.640 -0.000 0.000 0.228 47 D C 1.488 177.851 176.300 0.104 0.000 1.003 47 D CA 1.088 55.143 54.000 0.092 0.000 0.917 47 D CB -0.029 40.838 40.800 0.111 0.000 0.890 47 D HN 0.287 nan 8.370 nan 0.000 0.532 48 G N 0.282 109.134 108.800 0.087 0.000 2.336 48 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.233 48 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.233 48 G C 0.397 175.349 174.900 0.086 0.000 1.053 48 G CA 0.223 45.363 45.100 0.068 0.000 0.625 48 G HN 0.845 nan 8.290 nan 0.000 0.511 49 H N 1.462 120.538 119.070 0.009 0.000 2.690 49 H HA 0.587 5.143 4.556 -0.000 0.000 0.365 49 H C 0.146 175.486 175.328 0.021 0.000 1.142 49 H CA 0.414 56.467 56.048 0.009 0.000 1.417 49 H CB 0.950 30.712 29.762 0.001 0.000 1.446 49 H HN 0.322 nan 8.280 nan 0.000 0.599 50 V N 2.662 122.447 119.914 -0.215 0.000 2.644 50 V HA 0.253 4.373 4.120 -0.000 0.000 0.295 50 V C 0.378 176.288 176.094 -0.307 0.000 1.053 50 V CA -0.641 61.517 62.300 -0.237 0.000 0.987 50 V CB 1.178 32.961 31.823 -0.067 0.000 1.006 50 V HN 0.898 nan 8.190 nan 0.000 0.472 51 E N 1.758 121.840 120.200 -0.198 0.000 2.263 51 E HA 0.566 4.916 4.350 -0.000 0.000 0.268 51 E C -1.590 174.945 176.600 -0.108 0.000 0.884 51 E CA -0.524 55.773 56.400 -0.171 0.000 0.766 51 E CB 2.151 31.755 29.700 -0.159 0.000 1.196 51 E HN 0.492 nan 8.360 nan 0.000 0.416 52 V N 4.717 124.481 119.914 -0.249 0.000 2.546 52 V HA 0.417 4.537 4.120 -0.000 0.000 0.284 52 V C -0.452 175.325 176.094 -0.528 0.000 1.050 52 V CA -0.197 61.961 62.300 -0.237 0.000 0.981 52 V CB 0.350 32.065 31.823 -0.180 0.000 0.990 52 V HN 0.534 nan 8.190 nan 0.000 0.474 53 F N 1.043 120.644 119.950 -0.582 0.000 2.561 53 F HA 0.551 5.078 4.527 -0.000 0.000 0.321 53 F C 0.615 175.971 175.800 -0.740 0.000 1.065 53 F CA -0.598 57.008 58.000 -0.657 0.000 0.934 53 F CB 2.073 40.622 39.000 -0.752 0.000 1.215 53 F HN 0.313 nan 8.300 nan 0.000 0.471 54 T N 1.426 115.812 114.554 -0.280 0.000 2.799 54 T HA 0.649 4.999 4.350 -0.000 0.000 0.286 54 T C 0.057 174.606 174.700 -0.251 0.000 0.973 54 T CA -0.610 61.324 62.100 -0.276 0.000 1.035 54 T CB 1.102 69.817 68.868 -0.253 0.000 0.932 54 T HN 0.829 nan 8.240 nan 0.000 0.469 55 G N 1.928 110.635 108.800 -0.155 0.000 2.519 55 G HA2 0.700 4.660 3.960 -0.000 0.000 0.307 55 G HA3 0.700 4.660 3.960 -0.000 0.000 0.307 55 G C -1.951 172.852 174.900 -0.163 0.000 1.266 55 G CA -0.622 44.495 45.100 0.029 0.000 0.970 55 G HN 0.626 nan 8.290 nan 0.000 0.481 56 Y N 0.161 120.667 120.300 0.344 0.000 2.545 56 Y HA 0.823 5.373 4.550 0.000 0.000 0.348 56 Y C 0.168 176.226 175.900 0.263 0.000 1.002 56 Y CA -1.292 56.954 58.100 0.243 0.000 1.039 56 Y CB 2.772 41.313 38.460 0.136 0.000 1.271 56 Y HN 0.367 nan 8.280 nan 0.000 0.467 57 R N 1.593 122.281 120.500 0.314 0.000 2.518 57 R HA 0.603 4.943 4.340 -0.000 0.000 0.287 57 R C -2.330 174.021 176.300 0.085 0.000 1.135 57 R CA -0.748 55.450 56.100 0.164 0.000 0.967 57 R CB 1.670 32.002 30.300 0.054 0.000 1.212 57 R HN 0.570 nan 8.270 nan 0.000 0.422 58 V N 4.563 124.506 119.914 0.049 0.000 2.588 58 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 58 V C -0.334 175.751 176.094 -0.015 0.000 1.042 58 V CA -0.823 61.483 62.300 0.009 0.000 0.877 58 V CB 2.229 34.047 31.823 -0.007 0.000 0.996 58 V HN 0.545 nan 8.190 nan 0.000 0.425 59 Q N 3.306 123.087 119.800 -0.030 0.000 2.425 59 Q HA 0.357 4.697 4.340 -0.000 0.000 0.254 59 Q C 0.658 176.631 176.000 -0.044 0.000 1.032 59 Q CA -0.507 55.265 55.803 -0.052 0.000 0.798 59 Q CB 1.493 30.187 28.738 -0.074 0.000 1.210 59 Q HN 0.857 nan 8.270 nan 0.000 0.491 60 H N 3.127 122.115 119.070 -0.136 0.000 2.261 60 H HA -0.040 4.516 4.556 -0.000 0.000 0.301 60 H C -0.183 175.039 175.328 -0.177 0.000 1.067 60 H CA 1.472 57.425 56.048 -0.158 0.000 1.297 60 H CB 0.703 30.332 29.762 -0.221 0.000 1.377 60 H HN 0.530 nan 8.280 nan 0.000 0.492 61 N N -1.270 117.191 118.700 -0.398 0.000 2.284 61 N HA 0.208 4.948 4.740 -0.000 0.000 0.289 61 N C -0.698 174.677 175.510 -0.225 0.000 1.179 61 N CA -0.435 52.370 53.050 -0.407 0.000 0.774 61 N CB 2.453 40.617 38.487 -0.540 0.000 1.548 61 N HN -0.007 nan 8.380 nan 0.000 0.473 62 V N 1.695 121.507 119.914 -0.169 0.000 3.337 62 V HA 0.334 4.454 4.120 -0.000 0.000 0.307 62 V C 1.424 177.473 176.094 -0.076 0.000 1.505 62 V CA 0.444 62.682 62.300 -0.103 0.000 1.072 62 V CB 0.009 31.785 31.823 -0.078 0.000 0.929 62 V HN 0.798 nan 8.190 nan 0.000 0.455 63 A N 1.476 124.241 122.820 -0.092 0.000 1.892 63 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 63 A C 2.237 179.797 177.584 -0.040 0.000 1.188 63 A CA 1.867 53.867 52.037 -0.061 0.000 0.631 63 A CB -0.312 18.652 19.000 -0.059 0.000 0.822 63 A HN 0.501 nan 8.150 nan 0.000 0.447 64 R N -0.888 119.587 120.500 -0.041 0.000 2.236 64 R HA 0.240 4.580 4.340 -0.000 0.000 0.208 64 R C 0.954 177.237 176.300 -0.028 0.000 1.036 64 R CA 0.697 56.781 56.100 -0.027 0.000 1.001 64 R CB -0.104 30.177 30.300 -0.031 0.000 0.896 64 R HN 0.593 nan 8.270 nan 0.000 0.464 65 G N 0.774 109.563 108.800 -0.020 0.000 2.333 65 G HA2 0.048 4.008 3.960 -0.000 0.000 0.288 65 G HA3 0.048 4.008 3.960 -0.000 0.000 0.288 65 G C -3.108 171.806 174.900 0.024 0.000 1.286 65 G CA -1.064 44.042 45.100 0.010 0.000 0.865 65 G HN -0.219 nan 8.290 nan 0.000 0.506 66 P HA 0.449 nan 4.420 nan 0.000 0.271 66 P C 0.234 177.508 177.300 -0.043 0.000 1.216 66 P CA 0.489 63.598 63.100 0.016 0.000 0.776 66 P CB 1.061 32.768 31.700 0.012 0.000 0.881 67 A N 3.258 126.019 122.820 -0.098 0.000 2.540 67 A HA 0.195 4.515 4.320 -0.000 0.000 0.239 67 A C 0.420 177.851 177.584 -0.255 0.000 1.061 67 A CA 0.558 52.507 52.037 -0.146 0.000 0.758 67 A CB -0.503 18.420 19.000 -0.129 0.000 0.991 67 A HN 0.493 nan 8.150 nan 0.000 0.502 68 K N 1.118 121.342 120.400 -0.292 0.000 2.397 68 K HA 0.671 4.990 4.320 -0.000 0.000 0.253 68 K C -0.407 176.031 176.600 -0.270 0.000 0.932 68 K CA 0.445 56.466 56.287 -0.442 0.000 0.795 68 K CB 1.848 33.878 32.500 -0.784 0.000 1.159 68 K HN 1.413 nan 8.250 nan 0.000 0.424 69 G N 1.330 109.992 108.800 -0.230 0.000 2.443 69 G HA2 0.434 4.394 3.960 -0.000 0.000 0.303 69 G HA3 0.434 4.394 3.960 -0.000 0.000 0.303 69 G C -0.610 174.233 174.900 -0.094 0.000 1.613 69 G CA -0.406 44.615 45.100 -0.131 0.000 0.879 69 G HN 0.735 nan 8.290 nan 0.000 0.632 70 G N -0.691 108.074 108.800 -0.060 0.000 2.651 70 G HA2 0.581 4.541 3.960 -0.000 0.000 0.260 70 G HA3 0.581 4.541 3.960 -0.000 0.000 0.260 70 G C -0.105 174.792 174.900 -0.005 0.000 1.216 70 G CA -0.575 44.503 45.100 -0.037 0.000 0.913 70 G HN 0.743 nan 8.290 nan 0.000 0.535 71 I N -0.391 120.175 120.570 -0.006 0.000 2.569 71 I HA 0.443 4.613 4.170 -0.000 0.000 0.296 71 I C -0.051 176.009 176.117 -0.095 0.000 1.028 71 I CA -0.699 60.600 61.300 -0.002 0.000 1.082 71 I CB 2.377 40.410 38.000 0.055 0.000 1.264 71 I HN 0.363 nan 8.210 nan 0.000 0.429 72 R N 4.343 124.803 120.500 -0.068 0.000 2.711 72 R HA 0.526 4.866 4.340 -0.000 0.000 0.284 72 R C -1.537 174.783 176.300 0.034 0.000 0.968 72 R CA -0.636 55.443 56.100 -0.035 0.000 0.924 72 R CB 1.993 32.330 30.300 0.062 0.000 1.162 72 R HN 0.513 nan 8.270 nan 0.000 0.465 73 Y N 2.547 122.912 120.300 0.110 0.000 2.575 73 Y HA 0.293 4.843 4.550 -0.000 0.000 0.326 73 Y C -0.179 175.813 175.900 0.153 0.000 0.979 73 Y CA -0.680 57.476 58.100 0.094 0.000 1.286 73 Y CB 0.993 39.489 38.460 0.061 0.000 1.093 73 Y HN 0.404 nan 8.280 nan 0.000 0.501 74 H N 4.989 124.188 119.070 0.215 0.000 2.974 74 H HA 0.187 4.743 4.556 -0.000 0.000 0.366 74 H C -2.370 173.032 175.328 0.124 0.000 1.155 74 H CA -2.165 53.969 56.048 0.143 0.000 1.186 74 H CB 3.342 33.175 29.762 0.117 0.000 1.799 74 H HN 0.250 nan 8.280 nan 0.000 0.541 75 P HA -0.047 nan 4.420 nan 0.000 0.223 75 P C -0.324 177.078 177.300 0.170 0.000 1.151 75 P CA 0.862 63.974 63.100 0.019 0.000 0.787 75 P CB 0.630 32.273 31.700 -0.094 0.000 0.788 76 D N 0.341 121.015 120.400 0.457 0.000 2.460 76 D HA 0.298 4.938 4.640 -0.000 0.000 0.268 76 D C -0.698 175.764 176.300 0.270 0.000 1.153 76 D CA -0.239 53.974 54.000 0.355 0.000 0.929 76 D CB 1.495 42.495 40.800 0.332 0.000 1.015 76 D HN -0.107 nan 8.370 nan 0.000 0.502 77 V N 1.609 121.653 119.914 0.216 0.000 2.525 77 V HA 0.399 4.519 4.120 -0.000 0.000 0.299 77 V C 0.085 176.251 176.094 0.120 0.000 1.034 77 V CA -0.527 61.867 62.300 0.157 0.000 0.863 77 V CB 2.221 34.182 31.823 0.230 0.000 0.999 77 V HN 0.336 nan 8.190 nan 0.000 0.423 78 T N 3.502 118.052 114.554 -0.006 0.000 2.888 78 T HA 0.422 4.772 4.350 -0.000 0.000 0.284 78 T C 0.820 175.317 174.700 -0.338 0.000 1.017 78 T CA -0.551 61.479 62.100 -0.116 0.000 1.022 78 T CB 2.094 70.924 68.868 -0.064 0.000 1.013 78 T HN 0.422 nan 8.240 nan 0.000 0.465 79 L N 1.294 122.164 121.223 -0.588 0.000 2.127 79 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 79 L C 1.811 178.485 176.870 -0.327 0.000 1.089 79 L CA 2.015 56.447 54.840 -0.679 0.000 0.757 79 L CB -0.979 40.757 42.059 -0.539 0.000 0.899 79 L HN 0.842 nan 8.230 nan 0.000 0.434 80 D N -0.685 119.589 120.400 -0.209 0.000 2.117 80 D HA -0.256 4.384 4.640 -0.000 0.000 0.197 80 D C 2.146 178.406 176.300 -0.068 0.000 0.987 80 D CA 1.429 55.359 54.000 -0.116 0.000 0.829 80 D CB -0.100 40.669 40.800 -0.051 0.000 0.961 80 D HN 0.613 nan 8.370 nan 0.000 0.460 81 E N -0.364 119.797 120.200 -0.065 0.000 2.106 81 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 81 E C 2.073 178.665 176.600 -0.013 0.000 0.984 81 E CA 0.791 57.182 56.400 -0.016 0.000 0.806 81 E CB 0.111 29.801 29.700 -0.016 0.000 0.750 81 E HN 0.171 nan 8.360 nan 0.000 0.458 82 V N 1.549 121.421 119.914 -0.070 0.000 2.307 82 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 82 V C 2.377 178.444 176.094 -0.045 0.000 1.045 82 V CA 1.869 64.142 62.300 -0.045 0.000 1.024 82 V CB -0.400 31.376 31.823 -0.078 0.000 0.651 82 V HN 0.233 nan 8.190 nan 0.000 0.449 83 K N 0.170 120.503 120.400 -0.112 0.000 2.009 83 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 83 K C 2.339 178.918 176.600 -0.036 0.000 1.049 83 K CA 1.651 57.846 56.287 -0.154 0.000 0.929 83 K CB -0.539 31.724 32.500 -0.395 0.000 0.714 83 K HN 0.464 nan 8.250 nan 0.000 0.440 84 A N 1.738 124.578 122.820 0.032 0.000 1.873 84 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 84 A C 2.217 179.796 177.584 -0.009 0.000 1.193 84 A CA 1.550 53.592 52.037 0.007 0.000 0.629 84 A CB -0.861 18.163 19.000 0.041 0.000 0.826 84 A HN 0.195 nan 8.150 nan 0.000 0.447 85 L N -0.938 120.365 121.223 0.134 0.000 2.042 85 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 85 L C 3.137 180.107 176.870 0.167 0.000 1.076 85 L CA 1.210 56.198 54.840 0.246 0.000 0.749 85 L CB -0.635 41.519 42.059 0.159 0.000 0.893 85 L HN 0.471 nan 8.230 nan 0.000 0.432 86 A N -0.165 122.690 122.820 0.057 0.000 1.877 86 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 86 A C 2.206 179.738 177.584 -0.086 0.000 1.186 86 A CA 1.586 53.622 52.037 -0.002 0.000 0.620 86 A CB -0.969 18.025 19.000 -0.010 0.000 0.822 86 A HN 0.399 nan 8.150 nan 0.000 0.443 87 F N -0.738 119.007 119.950 -0.342 0.000 2.115 87 F HA -0.284 4.243 4.527 -0.000 0.000 0.300 87 F C 2.050 177.581 175.800 -0.450 0.000 1.092 87 F CA 2.121 59.725 58.000 -0.661 0.000 1.245 87 F CB -0.331 38.299 39.000 -0.616 0.000 0.995 87 F HN 0.452 nan 8.300 nan 0.000 0.481 88 W N -0.679 120.739 121.300 0.196 0.000 2.379 88 W HA -0.241 4.419 4.660 -0.000 0.000 0.307 88 W C 2.410 178.905 176.519 -0.040 0.000 1.200 88 W CA 0.300 57.784 57.345 0.231 0.000 1.297 88 W CB -0.515 29.095 29.460 0.248 0.000 1.140 88 W HN -0.058 nan 8.180 nan 0.000 0.507 89 M N 0.336 120.016 119.600 0.134 0.000 2.108 89 M HA -0.228 4.252 4.480 -0.000 0.000 0.257 89 M C 1.865 178.078 176.300 -0.146 0.000 1.071 89 M CA 1.951 57.250 55.300 -0.002 0.000 1.093 89 M CB -1.904 30.671 32.600 -0.042 0.000 1.345 89 M HN -0.046 nan 8.290 nan 0.000 0.403 90 T N -0.730 113.584 114.554 -0.400 0.000 2.699 90 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 90 T C 1.493 175.863 174.700 -0.550 0.000 1.036 90 T CA 1.890 63.609 62.100 -0.636 0.000 1.147 90 T CB -0.418 67.786 68.868 -1.107 0.000 0.862 90 T HN 0.582 nan 8.240 nan 0.000 0.446 91 W N 1.164 122.481 121.300 0.028 0.000 2.476 91 W HA 0.215 4.875 4.660 0.000 0.000 0.281 91 W C 2.554 179.096 176.519 0.038 0.000 1.230 91 W CA -0.169 57.219 57.345 0.071 0.000 1.287 91 W CB -0.086 29.499 29.460 0.209 0.000 1.108 91 W HN 0.088 nan 8.180 nan 0.000 0.567 92 K N 0.789 121.304 120.400 0.191 0.000 2.002 92 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 92 K C 2.143 178.769 176.600 0.043 0.000 1.048 92 K CA 2.315 58.658 56.287 0.094 0.000 0.930 92 K CB -0.522 32.023 32.500 0.075 0.000 0.714 92 K HN 0.179 nan 8.250 nan 0.000 0.438 93 T N -0.869 113.696 114.554 0.018 0.000 2.746 93 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 93 T C 2.063 176.759 174.700 -0.007 0.000 1.039 93 T CA 1.218 63.322 62.100 0.006 0.000 1.142 93 T CB -0.477 68.402 68.868 0.018 0.000 0.866 93 T HN 0.237 nan 8.240 nan 0.000 0.444 94 A N 1.003 123.836 122.820 0.022 0.000 1.883 94 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 94 A C 2.656 180.269 177.584 0.049 0.000 1.186 94 A CA 1.663 53.730 52.037 0.050 0.000 0.624 94 A CB -1.316 17.768 19.000 0.141 0.000 0.822 94 A HN 0.421 nan 8.150 nan 0.000 0.444 95 V N -0.550 119.400 119.914 0.060 0.000 2.594 95 V HA -0.173 3.947 4.120 -0.000 0.000 0.253 95 V C 2.081 178.176 176.094 0.002 0.000 1.069 95 V CA 2.023 64.337 62.300 0.023 0.000 1.082 95 V CB -0.433 31.388 31.823 -0.003 0.000 0.680 95 V HN 0.521 nan 8.190 nan 0.000 0.469 96 M N -0.826 118.769 119.600 -0.008 0.000 2.561 96 M HA 0.174 4.654 4.480 -0.000 0.000 0.238 96 M C 1.047 177.316 176.300 -0.052 0.000 1.131 96 M CA 0.533 55.819 55.300 -0.023 0.000 1.046 96 M CB -1.103 31.475 32.600 -0.036 0.000 1.532 96 M HN 0.438 nan 8.290 nan 0.000 0.497 97 D N 1.126 121.494 120.400 -0.053 0.000 2.800 97 D HA -0.161 4.479 4.640 -0.000 0.000 0.232 97 D C -0.860 175.330 176.300 -0.183 0.000 1.137 97 D CA 0.419 54.375 54.000 -0.073 0.000 0.718 97 D CB -1.115 39.666 40.800 -0.033 0.000 1.084 97 D HN 0.323 nan 8.370 nan 0.000 0.432 98 L N -0.110 120.952 121.223 -0.267 0.000 2.343 98 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 98 L C -1.193 175.365 176.870 -0.521 0.000 1.056 98 L CA -1.861 52.633 54.840 -0.577 0.000 0.804 98 L CB 0.804 42.499 42.059 -0.606 0.000 1.203 98 L HN -0.153 nan 8.230 nan 0.000 0.440 99 P HA 0.051 nan 4.420 nan 0.000 0.261 99 P C -0.573 176.414 177.300 -0.520 0.000 1.650 99 P CA 0.626 63.447 63.100 -0.466 0.000 0.846 99 P CB -0.382 31.131 31.700 -0.311 0.000 1.758 100 F N -0.699 119.122 119.950 -0.215 0.000 2.631 100 F HA 0.669 5.196 4.527 -0.000 0.000 0.350 100 F C 1.553 177.238 175.800 -0.191 0.000 1.080 100 F CA -0.998 56.859 58.000 -0.238 0.000 1.026 100 F CB 1.455 40.289 39.000 -0.276 0.000 1.347 100 F HN -0.093 nan 8.300 nan 0.000 0.501 101 G N -0.745 108.085 108.800 0.050 0.000 3.135 101 G HA2 0.565 4.525 3.960 -0.000 0.000 0.159 101 G HA3 0.565 4.525 3.960 -0.000 0.000 0.159 101 G C -1.173 173.653 174.900 -0.124 0.000 1.244 101 G CA -0.736 44.320 45.100 -0.074 0.000 0.965 101 G HN 0.850 nan 8.290 nan 0.000 0.599 102 G N -1.269 107.438 108.800 -0.155 0.000 2.626 102 G HA2 0.668 4.628 3.960 -0.000 0.000 0.304 102 G HA3 0.668 4.628 3.960 -0.000 0.000 0.304 102 G C -0.504 174.334 174.900 -0.102 0.000 1.385 102 G CA 0.215 45.225 45.100 -0.149 0.000 0.957 102 G HN 1.142 nan 8.290 nan 0.000 0.504 103 G N 0.793 109.534 108.800 -0.098 0.000 2.704 103 G HA2 0.714 4.674 3.960 -0.000 0.000 0.293 103 G HA3 0.714 4.674 3.960 -0.000 0.000 0.293 103 G C -1.644 173.227 174.900 -0.050 0.000 1.421 103 G CA -0.607 44.449 45.100 -0.074 0.000 0.870 103 G HN 0.549 nan 8.290 nan 0.000 0.492 104 K N -1.191 119.199 120.400 -0.016 0.000 2.607 104 K HA 0.803 5.123 4.320 -0.000 0.000 0.287 104 K C -0.600 176.038 176.600 0.063 0.000 0.996 104 K CA -0.133 56.163 56.287 0.016 0.000 0.876 104 K CB 2.112 34.629 32.500 0.028 0.000 1.496 104 K HN 1.471 nan 8.250 nan 0.000 0.415 105 G N -0.806 108.056 108.800 0.104 0.000 2.523 105 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 105 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 105 G C -1.139 173.876 174.900 0.193 0.000 1.450 105 G CA 0.056 45.279 45.100 0.205 0.000 0.790 105 G HN 0.729 nan 8.290 nan 0.000 0.496 106 G N -2.002 106.944 108.800 0.244 0.000 2.550 106 G HA2 0.705 4.665 3.960 -0.000 0.000 0.293 106 G HA3 0.705 4.665 3.960 -0.000 0.000 0.293 106 G C -2.012 172.919 174.900 0.052 0.000 1.402 106 G CA -0.182 44.998 45.100 0.133 0.000 0.784 106 G HN 1.417 nan 8.290 nan 0.000 0.482 107 V N 0.622 120.604 119.914 0.112 0.000 2.623 107 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 107 V C -0.015 176.190 176.094 0.186 0.000 1.054 107 V CA -0.920 61.425 62.300 0.076 0.000 0.882 107 V CB 1.837 33.682 31.823 0.037 0.000 1.002 107 V HN 0.689 nan 8.190 nan 0.000 0.424 108 R N 2.649 123.237 120.500 0.146 0.000 2.387 108 R HA 0.491 4.831 4.340 -0.000 0.000 0.321 108 R C -0.863 175.532 176.300 0.160 0.000 1.174 108 R CA 0.228 56.425 56.100 0.161 0.000 1.002 108 R CB 0.695 31.069 30.300 0.123 0.000 1.028 108 R HN 0.497 nan 8.270 nan 0.000 0.482 109 V N 2.662 122.668 119.914 0.153 0.000 3.036 109 V HA 0.061 4.181 4.120 -0.000 0.000 0.288 109 V C -1.766 174.360 176.094 0.054 0.000 1.407 109 V CA -0.980 61.407 62.300 0.145 0.000 0.983 109 V CB 2.551 34.459 31.823 0.141 0.000 1.128 109 V HN 0.578 nan 8.190 nan 0.000 0.439 110 D N 7.383 127.802 120.400 0.033 0.000 2.428 110 D HA 0.478 5.118 4.640 -0.000 0.000 0.221 110 D C -1.307 174.987 176.300 -0.009 0.000 1.123 110 D CA -2.076 51.914 54.000 -0.017 0.000 0.869 110 D CB 2.060 42.843 40.800 -0.029 0.000 1.032 110 D HN 0.369 nan 8.370 nan 0.000 0.506 111 P HA -0.213 nan 4.420 nan 0.000 0.217 111 P C 0.911 178.211 177.300 -0.001 0.000 1.151 111 P CA 1.143 64.231 63.100 -0.019 0.000 0.849 111 P CB 0.327 32.048 31.700 0.035 0.000 0.787 112 K N -0.168 120.234 120.400 0.004 0.000 2.281 112 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 112 K C 1.661 178.265 176.600 0.008 0.000 1.046 112 K CA 0.904 57.195 56.287 0.007 0.000 0.938 112 K CB -0.135 32.367 32.500 0.002 0.000 0.737 112 K HN 0.205 nan 8.250 nan 0.000 0.458 113 K N 0.507 120.913 120.400 0.010 0.000 2.404 113 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 113 K C 0.527 177.143 176.600 0.027 0.000 1.023 113 K CA 0.224 56.523 56.287 0.020 0.000 1.094 113 K CB 0.332 32.849 32.500 0.027 0.000 0.841 113 K HN 0.119 nan 8.250 nan 0.000 0.523 114 L N 1.145 122.376 121.223 0.013 0.000 2.334 114 L HA 0.245 4.585 4.340 -0.000 0.000 0.273 114 L C 0.537 177.406 176.870 -0.003 0.000 1.013 114 L CA -0.871 53.969 54.840 0.001 0.000 0.816 114 L CB 1.819 43.851 42.059 -0.044 0.000 1.278 114 L HN -0.066 nan 8.230 nan 0.000 0.431 115 S N 1.246 116.942 115.700 -0.006 0.000 2.580 115 S HA 0.156 4.626 4.470 -0.000 0.000 0.274 115 S C 1.005 175.601 174.600 -0.008 0.000 1.329 115 S CA -0.448 57.750 58.200 -0.003 0.000 1.036 115 S CB 1.379 64.575 63.200 -0.007 0.000 0.919 115 S HN 0.711 nan 8.310 nan 0.000 0.515 116 R N 2.833 123.344 120.500 0.019 0.000 2.133 116 R HA -0.198 4.142 4.340 -0.000 0.000 0.247 116 R C 1.543 177.828 176.300 -0.026 0.000 1.151 116 R CA 2.630 58.764 56.100 0.058 0.000 0.971 116 R CB -0.872 29.480 30.300 0.087 0.000 0.866 116 R HN 0.838 nan 8.270 nan 0.000 0.447 117 N N 0.127 118.788 118.700 -0.065 0.000 2.080 117 N HA -0.126 4.614 4.740 -0.000 0.000 0.189 117 N C 1.460 176.863 175.510 -0.177 0.000 1.036 117 N CA 1.854 54.821 53.050 -0.137 0.000 0.846 117 N CB -0.188 38.245 38.487 -0.090 0.000 1.015 117 N HN 0.389 nan 8.380 nan 0.000 0.423 118 E N 0.251 120.380 120.200 -0.118 0.000 2.085 118 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 118 E C 1.891 178.376 176.600 -0.191 0.000 0.994 118 E CA 0.743 57.065 56.400 -0.131 0.000 0.801 118 E CB -0.210 29.443 29.700 -0.079 0.000 0.743 118 E HN 0.210 nan 8.360 nan 0.000 0.453 119 L N 1.476 122.603 121.223 -0.159 0.000 1.989 119 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 119 L C 2.420 179.165 176.870 -0.210 0.000 1.071 119 L CA 1.930 56.681 54.840 -0.150 0.000 0.749 119 L CB -0.252 41.813 42.059 0.010 0.000 0.890 119 L HN 0.100 nan 8.230 nan 0.000 0.431 120 E N -0.592 119.317 120.200 -0.484 0.000 2.058 120 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 120 E C 2.395 178.651 176.600 -0.574 0.000 0.997 120 E CA 1.440 57.154 56.400 -1.143 0.000 0.801 120 E CB -0.117 28.575 29.700 -1.680 0.000 0.746 120 E HN 0.443 nan 8.360 nan 0.000 0.450 121 R N 0.263 120.530 120.500 -0.388 0.000 2.094 121 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 121 R C 2.750 178.968 176.300 -0.136 0.000 1.137 121 R CA 1.666 57.630 56.100 -0.227 0.000 0.943 121 R CB -0.515 29.684 30.300 -0.168 0.000 0.850 121 R HN 0.305 nan 8.270 nan 0.000 0.433 122 L N 0.288 121.414 121.223 -0.162 0.000 2.042 122 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 122 L C 2.168 179.059 176.870 0.035 0.000 1.076 122 L CA 1.715 56.493 54.840 -0.103 0.000 0.749 122 L CB -0.289 41.541 42.059 -0.383 0.000 0.893 122 L HN 0.089 nan 8.230 nan 0.000 0.432 123 S N -0.220 115.506 115.700 0.043 0.000 2.359 123 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 123 S C 1.940 176.741 174.600 0.336 0.000 1.035 123 S CA 1.634 60.008 58.200 0.291 0.000 1.018 123 S CB -0.251 63.096 63.200 0.245 0.000 0.876 123 S HN 0.491 nan 8.310 nan 0.000 0.448 124 R N 0.578 121.151 120.500 0.120 0.000 2.070 124 R HA -0.022 4.318 4.340 -0.000 0.000 0.233 124 R C 2.541 178.901 176.300 0.101 0.000 1.137 124 R CA 1.368 57.546 56.100 0.129 0.000 0.945 124 R CB -0.366 29.932 30.300 -0.004 0.000 0.845 124 R HN 0.136 nan 8.270 nan 0.000 0.430 125 R N 1.084 121.588 120.500 0.006 0.000 2.091 125 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 125 R C 1.913 178.013 176.300 -0.334 0.000 1.136 125 R CA 1.519 57.560 56.100 -0.098 0.000 0.959 125 R CB -0.868 29.418 30.300 -0.024 0.000 0.856 125 R HN 0.228 nan 8.270 nan 0.000 0.437 126 F N -0.281 119.297 119.950 -0.621 0.000 2.075 126 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 126 F C 1.814 177.487 175.800 -0.212 0.000 1.113 126 F CA 1.413 58.938 58.000 -0.791 0.000 1.218 126 F CB -0.798 37.978 39.000 -0.373 0.000 0.984 126 F HN 0.072 nan 8.300 nan 0.000 0.472 127 F N 0.764 120.530 119.950 -0.308 0.000 2.269 127 F HA -0.117 4.409 4.527 -0.000 0.000 0.301 127 F C 2.540 178.177 175.800 -0.271 0.000 1.082 127 F CA 1.583 59.345 58.000 -0.396 0.000 1.360 127 F CB -0.740 38.245 39.000 -0.026 0.000 1.041 127 F HN -0.047 nan 8.300 nan 0.000 0.512 128 S N -0.586 115.069 115.700 -0.075 0.000 2.453 128 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 128 S C 1.875 176.367 174.600 -0.180 0.000 1.005 128 S CA 0.774 58.924 58.200 -0.083 0.000 0.949 128 S CB -0.145 63.040 63.200 -0.026 0.000 0.774 128 S HN 0.367 nan 8.310 nan 0.000 0.510 129 E N 1.356 121.389 120.200 -0.278 0.000 2.086 129 E HA 0.022 4.372 4.350 -0.000 0.000 0.190 129 E C 1.842 178.267 176.600 -0.292 0.000 0.975 129 E CA 0.717 56.973 56.400 -0.240 0.000 0.813 129 E CB -0.160 29.407 29.700 -0.221 0.000 0.768 129 E HN 0.716 nan 8.360 nan 0.000 0.457 130 I N -1.049 119.216 120.570 -0.507 0.000 3.684 130 I HA 0.085 4.255 4.170 -0.000 0.000 0.304 130 I C 2.203 178.031 176.117 -0.483 0.000 1.278 130 I CA 0.243 61.248 61.300 -0.491 0.000 1.272 130 I CB -0.071 37.520 38.000 -0.682 0.000 1.029 130 I HN -0.112 nan 8.210 nan 0.000 0.458 131 Q N 1.639 121.171 119.800 -0.446 0.000 2.152 131 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 131 Q C 2.161 178.059 176.000 -0.170 0.000 0.985 131 Q CA 2.330 57.944 55.803 -0.316 0.000 0.863 131 Q CB 0.003 28.658 28.738 -0.138 0.000 0.904 131 Q HN 0.568 nan 8.270 nan 0.000 0.422 132 V N 0.645 120.470 119.914 -0.148 0.000 2.370 132 V HA -0.296 3.824 4.120 -0.000 0.000 0.252 132 V C 2.031 178.073 176.094 -0.087 0.000 1.068 132 V CA 1.924 64.170 62.300 -0.090 0.000 1.061 132 V CB -0.410 31.366 31.823 -0.079 0.000 0.656 132 V HN 0.440 nan 8.190 nan 0.000 0.455 133 I N -0.785 119.704 120.570 -0.135 0.000 3.462 133 I HA 0.138 4.308 4.170 -0.000 0.000 0.290 133 I C 1.062 177.091 176.117 -0.145 0.000 1.236 133 I CA 0.129 61.357 61.300 -0.120 0.000 1.418 133 I CB 0.155 38.083 38.000 -0.120 0.000 1.102 133 I HN 0.265 nan 8.210 nan 0.000 0.441 134 I N -0.273 120.159 120.570 -0.230 0.000 3.276 134 I HA 0.727 4.897 4.170 -0.000 0.000 0.306 134 I C 0.412 176.429 176.117 -0.168 0.000 1.060 134 I CA -0.490 60.645 61.300 -0.274 0.000 1.133 134 I CB 0.310 37.996 38.000 -0.523 0.000 1.473 134 I HN 0.016 nan 8.210 nan 0.000 0.649 135 G N 1.095 109.779 108.800 -0.194 0.000 2.368 135 G HA2 0.233 4.193 3.960 -0.000 0.000 0.301 135 G HA3 0.233 4.193 3.960 -0.000 0.000 0.301 135 G C -2.653 172.237 174.900 -0.018 0.000 1.640 135 G CA -0.548 44.529 45.100 -0.038 0.000 0.941 135 G HN 0.403 nan 8.290 nan 0.000 0.695 136 P HA -0.101 nan 4.420 nan 0.000 0.223 136 P C 0.399 177.681 177.300 -0.030 0.000 1.144 136 P CA 1.354 64.479 63.100 0.042 0.000 0.783 136 P CB 0.067 31.755 31.700 -0.020 0.000 0.771 137 Y N -1.960 118.498 120.300 0.262 0.000 2.641 137 Y HA 0.261 4.811 4.550 -0.000 0.000 0.248 137 Y C 1.790 177.761 175.900 0.118 0.000 1.170 137 Y CA -0.353 57.897 58.100 0.250 0.000 1.201 137 Y CB 0.228 38.817 38.460 0.215 0.000 1.232 137 Y HN -0.095 nan 8.280 nan 0.000 0.537 138 N N -0.653 118.128 118.700 0.135 0.000 2.804 138 N HA 0.047 4.787 4.740 -0.000 0.000 0.250 138 N C -0.815 174.666 175.510 -0.048 0.000 1.024 138 N CA 0.643 53.720 53.050 0.046 0.000 0.995 138 N CB 0.763 39.269 38.487 0.032 0.000 1.690 138 N HN 0.005 nan 8.380 nan 0.000 0.515 139 D N 0.240 120.578 120.400 -0.104 0.000 2.763 139 D HA 0.393 5.033 4.640 -0.000 0.000 0.235 139 D C -1.326 174.845 176.300 -0.215 0.000 1.334 139 D CA -0.282 53.614 54.000 -0.173 0.000 0.950 139 D CB 1.313 42.009 40.800 -0.174 0.000 1.433 139 D HN 0.005 nan 8.370 nan 0.000 0.580 140 I N 4.910 125.311 120.570 -0.281 0.000 2.412 140 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 140 I C -2.128 173.845 176.117 -0.240 0.000 1.063 140 I CA -1.848 59.287 61.300 -0.274 0.000 1.193 140 I CB 1.258 38.999 38.000 -0.432 0.000 1.370 140 I HN 0.059 nan 8.210 nan 0.000 0.479 141 P HA 0.304 nan 4.420 nan 0.000 0.271 141 P C -0.462 176.778 177.300 -0.099 0.000 1.244 141 P CA -0.172 62.873 63.100 -0.091 0.000 0.793 141 P CB 0.827 32.531 31.700 0.007 0.000 0.984 142 A N 0.503 123.278 122.820 -0.075 0.000 2.599 142 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 142 A C -2.897 174.671 177.584 -0.026 0.000 1.101 142 A CA -1.439 50.563 52.037 -0.058 0.000 0.674 142 A CB 0.733 19.677 19.000 -0.094 0.000 1.277 142 A HN 0.327 nan 8.150 nan 0.000 0.419 143 P HA 0.422 nan 4.420 nan 0.000 0.274 143 P C -0.956 176.324 177.300 -0.034 0.000 1.237 143 P CA 0.538 63.619 63.100 -0.032 0.000 0.793 143 P CB 1.405 33.077 31.700 -0.047 0.000 0.977 144 D N -0.205 120.172 120.400 -0.038 0.000 4.224 144 D HA 0.127 4.767 4.640 -0.000 0.000 0.305 144 D C -0.822 175.476 176.300 -0.004 0.000 1.612 144 D CA -0.277 53.712 54.000 -0.018 0.000 0.977 144 D CB 0.466 41.258 40.800 -0.014 0.000 1.419 144 D HN -0.024 nan 8.370 nan 0.000 0.661 145 V N 3.017 122.943 119.914 0.020 0.000 2.450 145 V HA 0.199 4.319 4.120 -0.000 0.000 0.281 145 V C 0.176 176.323 176.094 0.087 0.000 1.019 145 V CA 0.215 62.551 62.300 0.061 0.000 1.062 145 V CB -0.102 31.776 31.823 0.090 0.000 0.979 145 V HN 0.573 nan 8.190 nan 0.000 0.477 146 N N 2.132 120.884 118.700 0.087 0.000 2.829 146 N HA -0.143 4.597 4.740 -0.000 0.000 0.250 146 N C 0.222 175.802 175.510 0.116 0.000 1.090 146 N CA 1.397 54.519 53.050 0.120 0.000 0.781 146 N CB -1.141 37.463 38.487 0.195 0.000 1.124 146 N HN 0.998 nan 8.380 nan 0.000 0.559 147 T N -1.866 112.697 114.554 0.014 0.000 2.912 147 T HA 0.723 5.073 4.350 -0.000 0.000 0.299 147 T C -0.169 174.490 174.700 -0.070 0.000 1.052 147 T CA -0.908 61.162 62.100 -0.050 0.000 0.996 147 T CB 2.875 71.636 68.868 -0.177 0.000 1.070 147 T HN 0.240 nan 8.240 nan 0.000 0.465 148 N N 0.907 119.535 118.700 -0.120 0.000 3.102 148 N HA 0.616 5.356 4.740 -0.000 0.000 0.299 148 N C 1.372 176.764 175.510 -0.196 0.000 1.482 148 N CA -0.608 52.363 53.050 -0.133 0.000 0.785 148 N CB 0.492 38.906 38.487 -0.121 0.000 1.680 148 N HN 0.691 nan 8.380 nan 0.000 0.594 149 A N -0.183 122.534 122.820 -0.172 0.000 1.958 149 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 149 A C 1.237 178.637 177.584 -0.307 0.000 1.178 149 A CA 2.320 54.242 52.037 -0.191 0.000 0.642 149 A CB -1.169 17.742 19.000 -0.148 0.000 0.816 149 A HN 0.751 nan 8.150 nan 0.000 0.453 150 D N -0.726 119.440 120.400 -0.389 0.000 2.097 150 D HA -0.077 4.563 4.640 -0.000 0.000 0.195 150 D C 2.012 177.649 176.300 -1.105 0.000 0.989 150 D CA 1.437 55.047 54.000 -0.651 0.000 0.827 150 D CB -0.228 40.224 40.800 -0.579 0.000 0.966 150 D HN 0.237 nan 8.370 nan 0.000 0.456 151 V N 0.970 120.362 119.914 -0.871 0.000 2.270 151 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 151 V C 2.361 178.025 176.094 -0.717 0.000 1.043 151 V CA 0.853 62.659 62.300 -0.823 0.000 1.014 151 V CB -0.350 31.241 31.823 -0.386 0.000 0.645 151 V HN 0.198 nan 8.190 nan 0.000 0.447 152 I N 0.970 121.264 120.570 -0.460 0.000 2.145 152 I HA -0.326 3.844 4.170 -0.000 0.000 0.244 152 I C 2.715 178.701 176.117 -0.218 0.000 1.075 152 I CA 2.181 63.350 61.300 -0.218 0.000 1.332 152 I CB -1.616 36.316 38.000 -0.113 0.000 1.033 152 I HN 0.331 nan 8.210 nan 0.000 0.410 153 A N 0.127 122.772 122.820 -0.293 0.000 1.892 153 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 153 A C 2.122 179.663 177.584 -0.071 0.000 1.188 153 A CA 1.710 53.630 52.037 -0.195 0.000 0.631 153 A CB -0.999 17.843 19.000 -0.263 0.000 0.822 153 A HN 0.494 nan 8.150 nan 0.000 0.447 154 W N -0.886 120.304 121.300 -0.183 0.000 2.335 154 W HA -0.172 4.488 4.660 0.000 0.000 0.311 154 W C 2.286 178.732 176.519 -0.121 0.000 1.213 154 W CA 0.771 58.018 57.345 -0.163 0.000 1.274 154 W CB -1.643 27.681 29.460 -0.228 0.000 1.148 154 W HN 0.573 nan 8.180 nan 0.000 0.498 155 Y N -0.373 119.901 120.300 -0.043 0.000 2.030 155 Y HA -0.400 4.150 4.550 -0.000 0.000 0.274 155 Y C 2.911 178.684 175.900 -0.212 0.000 1.153 155 Y CA 1.464 59.283 58.100 -0.468 0.000 1.115 155 Y CB -1.011 36.785 38.460 -1.107 0.000 0.969 155 Y HN -0.215 nan 8.280 nan 0.000 0.488 156 M N 0.898 120.521 119.600 0.039 0.000 2.088 156 M HA -0.319 4.161 4.480 -0.000 0.000 0.256 156 M C 1.631 178.033 176.300 0.170 0.000 1.071 156 M CA 2.577 57.943 55.300 0.109 0.000 1.097 156 M CB -0.859 31.778 32.600 0.062 0.000 1.315 156 M HN 0.342 nan 8.290 nan 0.000 0.406 157 D N -0.850 119.635 120.400 0.142 0.000 2.117 157 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 157 D C 1.566 177.955 176.300 0.149 0.000 0.987 157 D CA 2.296 56.378 54.000 0.136 0.000 0.829 157 D CB 0.064 40.946 40.800 0.138 0.000 0.961 157 D HN 0.421 nan 8.370 nan 0.000 0.460 158 T N -0.977 113.692 114.554 0.192 0.000 2.684 158 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 158 T C 1.566 176.403 174.700 0.228 0.000 1.036 158 T CA 1.424 63.644 62.100 0.201 0.000 1.148 158 T CB -0.782 68.248 68.868 0.271 0.000 0.863 158 T HN 0.319 nan 8.240 nan 0.000 0.436 159 Y N 1.697 122.109 120.300 0.187 0.000 2.097 159 Y HA -0.228 4.322 4.550 0.000 0.000 0.282 159 Y C 2.855 178.771 175.900 0.027 0.000 1.152 159 Y CA 1.635 59.818 58.100 0.139 0.000 1.136 159 Y CB -0.299 38.293 38.460 0.221 0.000 0.975 159 Y HN 0.120 nan 8.280 nan 0.000 0.498 160 S N 0.107 115.860 115.700 0.088 0.000 2.365 160 S HA -0.251 4.219 4.470 -0.000 0.000 0.225 160 S C 1.834 176.372 174.600 -0.103 0.000 1.039 160 S CA 1.725 59.893 58.200 -0.055 0.000 1.033 160 S CB -0.324 62.904 63.200 0.046 0.000 0.887 160 S HN 0.443 nan 8.310 nan 0.000 0.447 161 M N 1.158 120.740 119.600 -0.030 0.000 2.319 161 M HA 0.033 4.513 4.480 -0.000 0.000 0.265 161 M C 1.418 177.676 176.300 -0.070 0.000 1.068 161 M CA 1.006 56.287 55.300 -0.031 0.000 1.118 161 M CB -1.409 31.195 32.600 0.006 0.000 1.395 161 M HN 0.215 nan 8.290 nan 0.000 0.435 162 N N 0.341 118.977 118.700 -0.107 0.000 2.220 162 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 162 N C 1.754 177.127 175.510 -0.227 0.000 1.023 162 N CA 0.956 53.923 53.050 -0.139 0.000 0.856 162 N CB -0.224 38.191 38.487 -0.121 0.000 0.997 162 N HN 0.102 nan 8.380 nan 0.000 0.429 163 V N -0.713 118.958 119.914 -0.404 0.000 2.809 163 V HA 0.128 4.248 4.120 -0.000 0.000 0.256 163 V C 1.425 177.359 176.094 -0.267 0.000 1.080 163 V CA 1.253 63.286 62.300 -0.444 0.000 1.102 163 V CB -0.825 30.532 31.823 -0.777 0.000 0.705 163 V HN 0.514 nan 8.190 nan 0.000 0.475 164 G N 0.503 109.179 108.800 -0.207 0.000 2.134 164 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 164 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.209 164 G C 0.167 175.099 174.900 0.054 0.000 0.993 164 G CA 0.090 45.160 45.100 -0.050 0.000 0.669 164 G HN 1.109 nan 8.290 nan 0.000 0.519 165 H N -2.640 116.413 119.070 -0.028 0.000 3.057 165 H HA 0.477 5.033 4.556 -0.000 0.000 0.308 165 H C -0.464 174.879 175.328 0.025 0.000 1.276 165 H CA -0.094 55.956 56.048 0.002 0.000 1.325 165 H CB 0.590 30.355 29.762 0.006 0.000 1.963 165 H HN 0.575 nan 8.280 nan 0.000 0.524 166 T N 1.505 116.162 114.554 0.172 0.000 2.866 166 T HA 0.180 4.530 4.350 -0.000 0.000 0.293 166 T C 0.772 175.594 174.700 0.203 0.000 1.005 166 T CA 0.554 62.738 62.100 0.141 0.000 1.162 166 T CB -0.098 68.848 68.868 0.130 0.000 0.968 166 T HN 0.430 nan 8.240 nan 0.000 0.530 167 V N 5.777 125.784 119.914 0.155 0.000 2.721 167 V HA 0.115 4.235 4.120 -0.000 0.000 0.236 167 V C 1.760 177.951 176.094 0.160 0.000 1.116 167 V CA 0.669 63.088 62.300 0.199 0.000 1.148 167 V CB -0.886 31.109 31.823 0.287 0.000 0.886 167 V HN 1.117 nan 8.190 nan 0.000 0.490 168 L N 0.635 121.950 121.223 0.153 0.000 4.312 168 L HA -0.195 4.145 4.340 -0.000 0.000 0.427 168 L C 0.630 177.563 176.870 0.106 0.000 1.149 168 L CA 1.630 56.542 54.840 0.121 0.000 0.978 168 L CB -2.544 39.588 42.059 0.121 0.000 1.963 168 L HN 0.338 nan 8.230 nan 0.000 0.970 169 G N -1.517 107.349 108.800 0.111 0.000 3.443 169 G HA2 0.323 4.283 3.960 -0.000 0.000 0.252 169 G HA3 0.323 4.283 3.960 -0.000 0.000 0.252 169 G C 0.836 175.843 174.900 0.178 0.000 1.015 169 G CA 0.374 45.544 45.100 0.117 0.000 0.891 169 G HN 0.391 nan 8.290 nan 0.000 0.510 170 I N 1.540 122.163 120.570 0.089 0.000 2.928 170 I HA 0.224 4.394 4.170 -0.000 0.000 0.266 170 I C 0.488 176.600 176.117 -0.008 0.000 1.234 170 I CA 0.602 61.877 61.300 -0.042 0.000 1.483 170 I CB 0.523 38.353 38.000 -0.283 0.000 1.097 170 I HN 0.027 nan 8.210 nan 0.000 0.455 171 V N -2.290 117.640 119.914 0.028 0.000 3.012 171 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 171 V C -0.209 175.895 176.094 0.017 0.000 1.166 171 V CA -0.036 62.258 62.300 -0.009 0.000 0.974 171 V CB 0.984 32.775 31.823 -0.052 0.000 1.040 171 V HN 0.181 nan 8.190 nan 0.000 0.428 172 T N -0.696 113.849 114.554 -0.013 0.000 2.922 172 T HA 0.780 5.130 4.350 -0.000 0.000 0.281 172 T C 1.055 175.742 174.700 -0.021 0.000 1.005 172 T CA -0.149 61.953 62.100 0.003 0.000 0.982 172 T CB 1.066 69.930 68.868 -0.007 0.000 1.158 172 T HN 2.691 nan 8.240 nan 0.000 0.566 173 G N 0.595 109.383 108.800 -0.020 0.000 2.160 173 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 173 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 173 G C -0.113 174.752 174.900 -0.058 0.000 1.022 173 G CA 0.139 45.215 45.100 -0.039 0.000 0.741 173 G HN 0.835 nan 8.290 nan 0.000 0.508 174 K N 0.385 120.754 120.400 -0.051 0.000 2.126 174 K HA 0.433 4.753 4.320 -0.000 0.000 0.257 174 K C -2.277 174.269 176.600 -0.091 0.000 1.007 174 K CA -1.873 54.370 56.287 -0.073 0.000 0.928 174 K CB 0.712 33.183 32.500 -0.047 0.000 1.013 174 K HN -0.003 nan 8.250 nan 0.000 0.473 175 P HA -0.099 nan 4.420 nan 0.000 0.266 175 P C 0.838 178.060 177.300 -0.129 0.000 1.195 175 P CA -0.022 63.009 63.100 -0.114 0.000 0.768 175 P CB 0.439 32.068 31.700 -0.118 0.000 0.838 176 V N 2.265 122.099 119.914 -0.134 0.000 2.231 176 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 176 V C 1.537 177.485 176.094 -0.244 0.000 1.058 176 V CA 2.163 64.353 62.300 -0.183 0.000 1.022 176 V CB -1.267 30.466 31.823 -0.150 0.000 0.640 176 V HN 0.573 nan 8.190 nan 0.000 0.445 177 E N 0.001 120.092 120.200 -0.181 0.000 2.705 177 E HA 0.169 4.519 4.350 -0.000 0.000 0.272 177 E C 0.070 176.582 176.600 -0.147 0.000 1.528 177 E CA 0.159 56.455 56.400 -0.174 0.000 1.750 177 E CB -0.263 29.369 29.700 -0.113 0.000 1.439 177 E HN 0.374 nan 8.360 nan 0.000 0.449 178 L N -0.505 120.611 121.223 -0.179 0.000 3.982 178 L HA 0.277 4.617 4.340 -0.000 0.000 0.402 178 L C 0.619 177.435 176.870 -0.090 0.000 1.254 178 L CA 0.898 55.675 54.840 -0.104 0.000 1.286 178 L CB 0.452 42.465 42.059 -0.076 0.000 1.420 178 L HN 0.265 nan 8.230 nan 0.000 0.591 179 G N -0.818 107.858 108.800 -0.207 0.000 2.134 179 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.209 179 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.209 179 G C 0.616 175.479 174.900 -0.062 0.000 0.993 179 G CA 0.145 45.207 45.100 -0.064 0.000 0.669 179 G HN 0.851 nan 8.290 nan 0.000 0.519 180 G N -0.611 108.077 108.800 -0.187 0.000 2.588 180 G HA2 0.588 4.548 3.960 -0.000 0.000 0.281 180 G HA3 0.588 4.548 3.960 -0.000 0.000 0.281 180 G C -0.090 174.735 174.900 -0.127 0.000 1.236 180 G CA 0.541 45.570 45.100 -0.118 0.000 0.969 180 G HN 0.875 nan 8.290 nan 0.000 0.504 181 S N -0.709 114.949 115.700 -0.070 0.000 2.502 181 S HA 0.397 4.867 4.470 -0.000 0.000 0.304 181 S C -0.068 174.506 174.600 -0.043 0.000 1.097 181 S CA -0.726 57.443 58.200 -0.052 0.000 1.045 181 S CB 0.931 64.122 63.200 -0.015 0.000 1.019 181 S HN 0.497 nan 8.310 nan 0.000 0.481 182 K N 1.308 121.683 120.400 -0.042 0.000 2.414 182 K HA 0.363 4.683 4.320 -0.000 0.000 0.272 182 K C 1.151 177.746 176.600 -0.008 0.000 0.993 182 K CA 0.637 56.904 56.287 -0.033 0.000 0.964 182 K CB 0.247 32.731 32.500 -0.026 0.000 0.925 182 K HN 0.958 nan 8.250 nan 0.000 0.487 183 G N 1.578 110.355 108.800 -0.038 0.000 2.141 183 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.242 183 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.242 183 G C 0.852 175.715 174.900 -0.061 0.000 0.982 183 G CA 0.572 45.639 45.100 -0.054 0.000 0.662 183 G HN 0.739 nan 8.290 nan 0.000 0.527 184 R N 0.381 120.850 120.500 -0.052 0.000 2.092 184 R HA 0.019 4.359 4.340 -0.000 0.000 0.231 184 R C 2.185 178.436 176.300 -0.082 0.000 1.119 184 R CA 1.813 57.888 56.100 -0.042 0.000 0.970 184 R CB -0.265 30.015 30.300 -0.034 0.000 0.864 184 R HN 0.618 nan 8.270 nan 0.000 0.440 185 E N 0.567 120.691 120.200 -0.128 0.000 2.006 185 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 185 E C 1.615 177.979 176.600 -0.394 0.000 0.993 185 E CA 1.737 58.043 56.400 -0.156 0.000 0.808 185 E CB -0.041 29.598 29.700 -0.101 0.000 0.764 185 E HN 0.601 nan 8.360 nan 0.000 0.449 186 E N 0.972 120.710 120.200 -0.770 0.000 2.516 186 E HA 0.002 4.352 4.350 -0.000 0.000 0.199 186 E C 1.608 177.990 176.600 -0.363 0.000 1.069 186 E CA 0.568 56.362 56.400 -1.009 0.000 0.876 186 E CB 0.005 29.105 29.700 -1.000 0.000 0.843 186 E HN 0.182 nan 8.360 nan 0.000 0.530 187 A N 1.913 124.613 122.820 -0.201 0.000 1.848 187 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 187 A C 2.439 180.004 177.584 -0.032 0.000 1.220 187 A CA 2.555 54.553 52.037 -0.065 0.000 0.645 187 A CB -1.521 17.465 19.000 -0.023 0.000 0.842 187 A HN 0.373 nan 8.150 nan 0.000 0.451 188 T N -0.172 114.372 114.554 -0.016 0.000 2.624 188 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 188 T C 1.961 176.679 174.700 0.031 0.000 1.041 188 T CA 2.064 64.174 62.100 0.016 0.000 1.159 188 T CB -1.107 67.780 68.868 0.032 0.000 0.863 188 T HN 0.713 nan 8.240 nan 0.000 0.434 189 G N 1.048 109.876 108.800 0.046 0.000 2.491 189 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 189 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 189 G C 1.570 176.501 174.900 0.051 0.000 1.180 189 G CA 1.071 46.225 45.100 0.090 0.000 0.774 189 G HN 0.452 nan 8.290 nan 0.000 0.562 190 R N 0.276 120.780 120.500 0.007 0.000 2.127 190 R HA -0.047 4.293 4.340 -0.000 0.000 0.238 190 R C 2.768 179.084 176.300 0.028 0.000 1.134 190 R CA 1.486 57.593 56.100 0.012 0.000 0.975 190 R CB -0.616 29.679 30.300 -0.008 0.000 0.865 190 R HN 0.355 nan 8.270 nan 0.000 0.447 191 G N -0.255 108.565 108.800 0.033 0.000 2.421 191 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 191 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 191 G C 1.360 176.287 174.900 0.045 0.000 1.171 191 G CA 0.841 45.967 45.100 0.043 0.000 0.775 191 G HN 0.220 nan 8.290 nan 0.000 0.543 192 V N 1.307 121.248 119.914 0.045 0.000 2.407 192 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 192 V C 2.746 178.863 176.094 0.039 0.000 1.055 192 V CA 2.149 64.478 62.300 0.048 0.000 1.049 192 V CB -0.311 31.543 31.823 0.051 0.000 0.662 192 V HN 0.437 nan 8.190 nan 0.000 0.455 193 K N 0.468 120.889 120.400 0.035 0.000 2.002 193 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 193 K C 2.114 178.711 176.600 -0.005 0.000 1.048 193 K CA 1.983 58.283 56.287 0.023 0.000 0.930 193 K CB -0.406 32.111 32.500 0.029 0.000 0.714 193 K HN 0.347 nan 8.250 nan 0.000 0.438 194 V N 1.418 121.327 119.914 -0.008 0.000 2.332 194 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 194 V C 2.768 178.796 176.094 -0.110 0.000 1.055 194 V CA 1.920 64.192 62.300 -0.046 0.000 1.038 194 V CB -0.654 31.159 31.823 -0.016 0.000 0.651 194 V HN 0.480 nan 8.190 nan 0.000 0.450 195 C N -0.051 119.222 119.300 -0.046 0.000 2.436 195 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 195 C C 3.132 178.085 174.990 -0.062 0.000 1.241 195 C CA 0.808 59.805 59.018 -0.036 0.000 1.721 195 C CB -1.279 26.537 27.740 0.127 0.000 2.043 195 C HN 0.643 nan 8.230 nan 0.000 0.472 196 A N 0.435 123.250 122.820 -0.009 0.000 1.948 196 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 196 A C 2.337 179.897 177.584 -0.041 0.000 1.177 196 A CA 2.285 54.323 52.037 0.002 0.000 0.636 196 A CB -1.196 17.816 19.000 0.020 0.000 0.815 196 A HN 0.607 nan 8.150 nan 0.000 0.449 197 G N -0.472 108.280 108.800 -0.081 0.000 2.402 197 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 197 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 197 G C 1.535 176.337 174.900 -0.164 0.000 1.162 197 G CA 0.950 45.992 45.100 -0.097 0.000 0.777 197 G HN 0.443 nan 8.290 nan 0.000 0.539 198 L N 0.655 121.676 121.223 -0.337 0.000 2.156 198 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 198 L C 3.358 180.060 176.870 -0.281 0.000 1.095 198 L CA 0.763 55.283 54.840 -0.534 0.000 0.770 198 L CB -0.318 40.889 42.059 -1.420 0.000 0.914 198 L HN 0.286 nan 8.230 nan 0.000 0.439 199 A N -0.175 122.569 122.820 -0.127 0.000 1.940 199 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 199 A C 2.330 179.945 177.584 0.053 0.000 1.176 199 A CA 1.713 53.816 52.037 0.110 0.000 0.631 199 A CB -0.433 18.643 19.000 0.127 0.000 0.814 199 A HN 0.328 nan 8.150 nan 0.000 0.446 200 M N -0.805 118.795 119.600 -0.000 0.000 2.086 200 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 200 M C 1.672 177.974 176.300 0.004 0.000 1.067 200 M CA 1.672 56.974 55.300 0.004 0.000 1.116 200 M CB -0.471 32.123 32.600 -0.010 0.000 1.348 200 M HN 0.368 nan 8.290 nan 0.000 0.407 201 D N 0.075 120.464 120.400 -0.019 0.000 2.104 201 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 201 D C 1.949 178.263 176.300 0.024 0.000 0.994 201 D CA 1.901 55.896 54.000 -0.009 0.000 0.830 201 D CB -0.256 40.522 40.800 -0.037 0.000 0.959 201 D HN 0.352 nan 8.370 nan 0.000 0.452 202 V N -0.637 119.309 119.914 0.054 0.000 2.759 202 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 202 V C 2.188 178.317 176.094 0.059 0.000 1.080 202 V CA 1.075 63.423 62.300 0.081 0.000 1.101 202 V CB -0.782 31.127 31.823 0.142 0.000 0.698 202 V HN 0.123 nan 8.190 nan 0.000 0.477 203 L N 0.862 122.115 121.223 0.050 0.000 2.567 203 L HA 0.451 4.791 4.340 -0.000 0.000 0.225 203 L C 2.007 178.894 176.870 0.027 0.000 1.119 203 L CA 0.676 55.539 54.840 0.039 0.000 0.871 203 L CB -0.536 41.547 42.059 0.040 0.000 1.036 203 L HN 0.582 nan 8.230 nan 0.000 0.459 204 G N 1.422 110.236 108.800 0.023 0.000 2.168 204 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 204 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 204 G C 0.249 175.157 174.900 0.013 0.000 0.977 204 G CA 0.022 45.132 45.100 0.017 0.000 0.659 204 G HN 0.342 nan 8.290 nan 0.000 0.533 205 I N 1.445 122.024 120.570 0.014 0.000 2.436 205 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 205 I C 0.615 176.736 176.117 0.008 0.000 1.083 205 I CA -0.387 60.921 61.300 0.012 0.000 1.372 205 I CB 0.812 38.822 38.000 0.016 0.000 1.408 205 I HN 0.224 nan 8.210 nan 0.000 0.516 206 D N 9.616 130.020 120.400 0.007 0.000 2.401 206 D HA 0.072 4.712 4.640 -0.000 0.000 0.254 206 D C -1.247 175.056 176.300 0.005 0.000 1.192 206 D CA -1.358 52.645 54.000 0.004 0.000 0.885 206 D CB 1.084 41.887 40.800 0.004 0.000 1.147 206 D HN 0.280 nan 8.370 nan 0.000 0.478 207 P HA -0.226 nan 4.420 nan 0.000 0.216 207 P C 1.171 178.475 177.300 0.007 0.000 1.150 207 P CA 1.099 64.201 63.100 0.004 0.000 0.837 207 P CB 0.140 31.839 31.700 -0.001 0.000 0.786 208 K N 0.586 120.989 120.400 0.005 0.000 2.152 208 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 208 K C 2.238 178.840 176.600 0.005 0.000 1.048 208 K CA 1.402 57.692 56.287 0.005 0.000 0.933 208 K CB -0.099 32.402 32.500 0.003 0.000 0.721 208 K HN -0.009 nan 8.250 nan 0.000 0.447 209 K N 0.106 120.509 120.400 0.005 0.000 2.348 209 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 209 K C -0.029 176.577 176.600 0.010 0.000 1.052 209 K CA 0.242 56.532 56.287 0.006 0.000 1.004 209 K CB 0.307 32.810 32.500 0.005 0.000 0.873 209 K HN 0.125 nan 8.250 nan 0.000 0.523 210 A N 1.856 124.684 122.820 0.013 0.000 2.520 210 A HA 0.103 4.423 4.320 -0.000 0.000 0.235 210 A C 0.224 177.823 177.584 0.024 0.000 1.065 210 A CA 0.525 52.574 52.037 0.019 0.000 0.764 210 A CB -0.039 18.973 19.000 0.019 0.000 1.002 210 A HN 0.474 nan 8.150 nan 0.000 0.502 211 T N -0.617 113.957 114.554 0.033 0.000 2.855 211 T HA 0.653 5.003 4.350 -0.000 0.000 0.281 211 T C -0.546 174.188 174.700 0.057 0.000 1.007 211 T CA -0.700 61.426 62.100 0.044 0.000 1.009 211 T CB 1.250 70.150 68.868 0.054 0.000 0.983 211 T HN 0.714 nan 8.240 nan 0.000 0.455 212 V N 1.569 121.525 119.914 0.070 0.000 2.789 212 V HA 0.845 4.965 4.120 -0.000 0.000 0.311 212 V C -0.103 176.054 176.094 0.106 0.000 1.073 212 V CA -1.069 61.279 62.300 0.079 0.000 0.921 212 V CB 1.810 33.676 31.823 0.073 0.000 1.009 212 V HN 1.345 nan 8.190 nan 0.000 0.426 213 A N 3.526 126.406 122.820 0.100 0.000 2.343 213 A HA 0.880 5.200 4.320 -0.000 0.000 0.316 213 A C -1.100 176.539 177.584 0.092 0.000 1.104 213 A CA -0.555 51.549 52.037 0.111 0.000 0.768 213 A CB 1.717 20.777 19.000 0.101 0.000 1.213 213 A HN 0.732 nan 8.150 nan 0.000 0.456 214 V N 3.265 123.238 119.914 0.097 0.000 2.349 214 V HA 0.290 4.410 4.120 -0.000 0.000 0.284 214 V C 0.061 176.207 176.094 0.086 0.000 1.014 214 V CA -0.460 61.899 62.300 0.098 0.000 0.826 214 V CB 1.396 33.302 31.823 0.138 0.000 1.009 214 V HN 0.952 nan 8.190 nan 0.000 0.431 215 Q N 3.586 123.426 119.800 0.067 0.000 2.369 215 Q HA 0.525 4.865 4.340 -0.000 0.000 0.247 215 Q C 0.296 176.339 176.000 0.071 0.000 1.083 215 Q CA 0.735 56.570 55.803 0.053 0.000 0.905 215 Q CB 0.782 29.541 28.738 0.036 0.000 1.305 215 Q HN 1.138 nan 8.270 nan 0.000 0.465 216 G N 2.927 111.780 108.800 0.088 0.000 2.576 216 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 216 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 216 G C -1.261 173.791 174.900 0.253 0.000 1.242 216 G CA -0.827 44.345 45.100 0.120 0.000 0.819 216 G HN 0.500 nan 8.290 nan 0.000 0.655 217 F N 2.229 122.156 119.950 -0.039 0.000 2.677 217 F HA 0.537 5.064 4.527 -0.000 0.000 0.388 217 F C 1.117 176.880 175.800 -0.062 0.000 1.400 217 F CA 0.091 58.054 58.000 -0.062 0.000 1.162 217 F CB 0.464 39.414 39.000 -0.083 0.000 1.135 217 F HN 0.867 nan 8.300 nan 0.000 0.516 218 G N 0.276 109.053 108.800 -0.038 0.000 2.509 218 G HA2 0.015 3.975 3.960 -0.000 0.000 0.269 218 G HA3 0.015 3.975 3.960 -0.000 0.000 0.269 218 G C 0.888 175.684 174.900 -0.173 0.000 1.416 218 G CA -0.067 44.986 45.100 -0.079 0.000 1.052 218 G HN 0.260 nan 8.290 nan 0.000 0.542 219 N N -1.460 117.185 118.700 -0.091 0.000 2.036 219 N HA -0.220 4.520 4.740 -0.000 0.000 0.199 219 N C 2.292 177.819 175.510 0.028 0.000 1.036 219 N CA 2.493 55.528 53.050 -0.025 0.000 0.870 219 N CB -0.319 38.218 38.487 0.083 0.000 1.055 219 N HN 0.187 nan 8.380 nan 0.000 0.436 220 V N 0.067 120.002 119.914 0.036 0.000 2.219 220 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 220 V C 2.452 178.546 176.094 0.001 0.000 1.053 220 V CA 2.222 64.553 62.300 0.051 0.000 1.009 220 V CB -1.671 30.174 31.823 0.036 0.000 0.636 220 V HN 0.562 nan 8.190 nan 0.000 0.445 221 G N -1.171 107.599 108.800 -0.051 0.000 2.553 221 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 221 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 221 G C 1.488 176.241 174.900 -0.246 0.000 1.195 221 G CA 1.275 46.339 45.100 -0.060 0.000 0.779 221 G HN 0.569 nan 8.290 nan 0.000 0.577 222 Q N -0.451 118.951 119.800 -0.663 0.000 1.967 222 Q HA -0.154 4.186 4.340 -0.000 0.000 0.210 222 Q C 2.450 178.167 176.000 -0.472 0.000 1.005 222 Q CA 1.911 57.114 55.803 -0.999 0.000 0.862 222 Q CB -0.404 27.652 28.738 -1.137 0.000 0.939 222 Q HN 0.587 nan 8.270 nan 0.000 0.417 223 F N 0.145 119.966 119.950 -0.215 0.000 2.126 223 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 223 F C 2.464 178.227 175.800 -0.062 0.000 1.096 223 F CA 0.554 58.489 58.000 -0.109 0.000 1.255 223 F CB -0.293 38.659 39.000 -0.079 0.000 0.997 223 F HN 0.172 nan 8.300 nan 0.000 0.479 224 A N 0.228 123.124 122.820 0.128 0.000 1.865 224 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 224 A C 2.380 180.010 177.584 0.076 0.000 1.191 224 A CA 1.936 54.027 52.037 0.090 0.000 0.623 224 A CB -1.370 17.671 19.000 0.067 0.000 0.826 224 A HN 0.334 nan 8.150 nan 0.000 0.444 225 A N -0.501 122.356 122.820 0.061 0.000 1.865 225 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 225 A C 2.178 179.813 177.584 0.085 0.000 1.191 225 A CA 1.909 54.002 52.037 0.094 0.000 0.623 225 A CB -0.820 18.281 19.000 0.168 0.000 0.826 225 A HN 0.807 nan 8.150 nan 0.000 0.444 226 L N -0.088 121.171 121.223 0.060 0.000 1.990 226 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 226 L C 2.367 179.287 176.870 0.084 0.000 1.072 226 L CA 1.989 56.871 54.840 0.070 0.000 0.755 226 L CB -0.649 41.444 42.059 0.057 0.000 0.889 226 L HN 0.428 nan 8.230 nan 0.000 0.432 227 L N -1.030 120.254 121.223 0.101 0.000 2.046 227 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 227 L C 2.572 179.477 176.870 0.058 0.000 1.077 227 L CA 1.580 56.467 54.840 0.080 0.000 0.747 227 L CB -0.550 41.557 42.059 0.079 0.000 0.896 227 L HN 0.312 nan 8.230 nan 0.000 0.432 228 I N -0.820 119.786 120.570 0.059 0.000 2.208 228 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 228 I C 2.872 179.017 176.117 0.046 0.000 1.097 228 I CA 1.575 62.903 61.300 0.048 0.000 1.363 228 I CB -0.397 37.635 38.000 0.054 0.000 1.051 228 I HN 0.278 nan 8.210 nan 0.000 0.413 229 S N 0.363 116.097 115.700 0.057 0.000 2.343 229 S HA -0.227 4.243 4.470 -0.000 0.000 0.219 229 S C 2.027 176.653 174.600 0.043 0.000 1.033 229 S CA 1.523 59.755 58.200 0.053 0.000 1.014 229 S CB -0.164 63.076 63.200 0.067 0.000 0.915 229 S HN 0.442 nan 8.310 nan 0.000 0.435 230 Q N 0.248 120.075 119.800 0.046 0.000 2.016 230 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 230 Q C 2.221 178.238 176.000 0.029 0.000 0.978 230 Q CA 1.454 57.280 55.803 0.038 0.000 0.833 230 Q CB -0.314 28.450 28.738 0.044 0.000 0.895 230 Q HN 0.682 nan 8.270 nan 0.000 0.427 231 E N 0.279 120.497 120.200 0.029 0.000 2.230 231 E HA -0.000 4.350 4.350 -0.000 0.000 0.192 231 E C 1.839 178.447 176.600 0.013 0.000 0.987 231 E CA 0.453 56.864 56.400 0.019 0.000 0.841 231 E CB 0.291 30.002 29.700 0.018 0.000 0.783 231 E HN 0.265 nan 8.360 nan 0.000 0.481 232 L N -1.040 120.193 121.223 0.016 0.000 2.556 232 L HA 0.230 4.570 4.340 -0.000 0.000 0.226 232 L C 1.528 178.405 176.870 0.012 0.000 1.089 232 L CA 0.420 55.266 54.840 0.010 0.000 0.864 232 L CB 0.416 42.481 42.059 0.010 0.000 1.067 232 L HN 0.287 nan 8.230 nan 0.000 0.477 233 G N 0.027 108.838 108.800 0.017 0.000 2.184 233 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 233 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 233 G C 0.377 175.287 174.900 0.017 0.000 0.975 233 G CA 0.445 45.555 45.100 0.016 0.000 0.642 233 G HN 0.327 nan 8.290 nan 0.000 0.536 234 S N 0.945 116.658 115.700 0.021 0.000 2.572 234 S HA 0.402 4.872 4.470 -0.000 0.000 0.279 234 S C 0.508 175.125 174.600 0.029 0.000 1.341 234 S CA 0.051 58.266 58.200 0.024 0.000 1.043 234 S CB 0.862 64.079 63.200 0.028 0.000 0.887 234 S HN 0.497 nan 8.310 nan 0.000 0.516 235 K N 1.758 122.172 120.400 0.023 0.000 2.263 235 K HA 0.263 4.583 4.320 -0.000 0.000 0.282 235 K C -0.994 175.630 176.600 0.040 0.000 1.089 235 K CA -0.517 55.781 56.287 0.018 0.000 0.907 235 K CB 0.467 32.959 32.500 -0.013 0.000 1.148 235 K HN 0.272 nan 8.250 nan 0.000 0.470 236 V N 4.215 124.172 119.914 0.072 0.000 2.359 236 V HA -0.066 4.054 4.120 -0.000 0.000 0.248 236 V C 1.612 177.799 176.094 0.156 0.000 1.091 236 V CA -0.162 62.213 62.300 0.125 0.000 1.103 236 V CB -0.077 31.842 31.823 0.159 0.000 1.176 236 V HN 0.723 nan 8.190 nan 0.000 0.488 237 V N 1.740 121.717 119.914 0.104 0.000 3.380 237 V HA 0.520 4.640 4.120 -0.000 0.000 0.268 237 V C 0.794 177.032 176.094 0.241 0.000 1.168 237 V CA 1.048 63.354 62.300 0.010 0.000 1.156 237 V CB -0.549 31.286 31.823 0.021 0.000 0.785 237 V HN 0.964 nan 8.190 nan 0.000 0.487 238 A N -0.253 122.795 122.820 0.380 0.000 2.594 238 A HA 0.750 5.070 4.320 -0.000 0.000 0.296 238 A C -0.879 176.779 177.584 0.125 0.000 1.056 238 A CA 0.056 52.329 52.037 0.394 0.000 0.693 238 A CB 1.567 20.807 19.000 0.400 0.000 1.278 238 A HN 1.572 nan 8.150 nan 0.000 0.408 239 V N -0.798 119.059 119.914 -0.095 0.000 3.114 239 V HA 1.016 5.136 4.120 -0.000 0.000 0.308 239 V C -0.359 175.599 176.094 -0.227 0.000 1.168 239 V CA -0.039 62.146 62.300 -0.192 0.000 1.015 239 V CB 1.620 33.162 31.823 -0.468 0.000 1.050 239 V HN 2.149 nan 8.190 nan 0.000 0.433 240 S N 0.643 116.254 115.700 -0.147 0.000 2.569 240 S HA 0.670 5.140 4.470 -0.000 0.000 0.280 240 S C -1.022 173.535 174.600 -0.071 0.000 1.111 240 S CA -0.631 57.504 58.200 -0.109 0.000 0.887 240 S CB 2.197 65.379 63.200 -0.030 0.000 1.095 240 S HN 1.048 nan 8.310 nan 0.000 0.476 241 D N 0.126 120.490 120.400 -0.059 0.000 2.549 241 D HA 0.364 5.004 4.640 -0.000 0.000 0.270 241 D C 0.701 177.013 176.300 0.021 0.000 1.181 241 D CA -0.368 53.630 54.000 -0.003 0.000 1.070 241 D CB 2.097 42.890 40.800 -0.013 0.000 1.154 241 D HN 0.677 nan 8.370 nan 0.000 0.602 242 S N -0.020 115.701 115.700 0.036 0.000 2.840 242 S HA 0.110 4.580 4.470 -0.000 0.000 0.235 242 S C 0.987 175.604 174.600 0.028 0.000 0.968 242 S CA 0.112 58.333 58.200 0.035 0.000 1.026 242 S CB 0.319 63.542 63.200 0.039 0.000 0.788 242 S HN 0.420 nan 8.310 nan 0.000 0.487 243 R N -0.315 120.198 120.500 0.022 0.000 3.372 243 R HA 0.480 4.819 4.340 -0.000 0.000 0.150 243 R C 0.743 177.052 176.300 0.015 0.000 0.739 243 R CA 0.740 56.852 56.100 0.020 0.000 1.041 243 R CB 0.447 30.761 30.300 0.024 0.000 1.530 243 R HN 0.460 nan 8.270 nan 0.000 0.534 244 G N -0.988 107.815 108.800 0.004 0.000 2.619 244 G HA2 0.501 4.461 3.960 -0.000 0.000 0.305 244 G HA3 0.501 4.461 3.960 -0.000 0.000 0.305 244 G C -1.469 173.417 174.900 -0.024 0.000 1.330 244 G CA -0.345 44.754 45.100 -0.000 0.000 0.789 244 G HN 0.366 nan 8.290 nan 0.000 0.487 245 G N -1.051 107.737 108.800 -0.020 0.000 2.642 245 G HA2 0.750 4.710 3.960 -0.000 0.000 0.293 245 G HA3 0.750 4.710 3.960 -0.000 0.000 0.293 245 G C -0.782 174.107 174.900 -0.018 0.000 1.341 245 G CA -0.629 44.443 45.100 -0.048 0.000 0.916 245 G HN 1.227 nan 8.290 nan 0.000 0.474 246 I N -1.536 118.999 120.570 -0.058 0.000 2.569 246 I HA 0.756 4.926 4.170 -0.000 0.000 0.296 246 I C -1.283 175.052 176.117 0.364 0.000 1.028 246 I CA -1.270 60.080 61.300 0.083 0.000 1.082 246 I CB 2.354 40.325 38.000 -0.048 0.000 1.264 246 I HN 0.465 nan 8.210 nan 0.000 0.429 247 Y N 4.604 125.110 120.300 0.343 0.000 2.549 247 Y HA 0.657 5.207 4.550 -0.000 0.000 0.339 247 Y C -1.013 174.953 175.900 0.109 0.000 1.053 247 Y CA -1.019 57.257 58.100 0.292 0.000 1.105 247 Y CB 1.891 40.418 38.460 0.111 0.000 1.258 247 Y HN 0.781 nan 8.280 nan 0.000 0.478 248 N N 4.877 122.827 118.700 -1.249 0.000 3.429 248 N HA 0.153 4.893 4.740 -0.000 0.000 0.221 248 N C -2.747 172.112 175.510 -1.086 0.000 1.195 248 N CA -1.173 51.171 53.050 -1.176 0.000 0.938 248 N CB 1.801 39.481 38.487 -1.346 0.000 1.609 248 N HN 0.375 nan 8.380 nan 0.000 0.704 249 P HA -0.064 nan 4.420 nan 0.000 0.225 249 P C 0.504 177.628 177.300 -0.293 0.000 1.148 249 P CA 1.105 63.953 63.100 -0.421 0.000 0.779 249 P CB 0.613 32.212 31.700 -0.169 0.000 0.780 250 E N -0.447 119.545 120.200 -0.347 0.000 2.285 250 E HA 0.204 4.554 4.350 -0.000 0.000 0.194 250 E C 0.674 177.128 176.600 -0.243 0.000 0.997 250 E CA 0.411 56.663 56.400 -0.246 0.000 0.845 250 E CB -0.248 29.313 29.700 -0.231 0.000 0.782 250 E HN 0.216 nan 8.360 nan 0.000 0.491 251 G N 0.786 109.364 108.800 -0.371 0.000 3.338 251 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 251 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 251 G C -0.464 174.283 174.900 -0.255 0.000 1.053 251 G CA -0.856 44.085 45.100 -0.264 0.000 0.852 251 G HN 0.062 nan 8.290 nan 0.000 0.545 252 F N 0.954 120.869 119.950 -0.060 0.000 2.435 252 F HA 0.380 4.907 4.527 -0.000 0.000 0.316 252 F C 1.302 177.090 175.800 -0.021 0.000 1.220 252 F CA 0.389 58.363 58.000 -0.043 0.000 1.241 252 F CB 0.692 39.629 39.000 -0.105 0.000 1.234 252 F HN 0.443 nan 8.300 nan 0.000 0.569 253 D N 0.981 121.512 120.400 0.218 0.000 2.493 253 D HA 0.175 4.815 4.640 -0.000 0.000 0.235 253 D C 1.043 177.400 176.300 0.095 0.000 1.117 253 D CA -0.121 53.956 54.000 0.128 0.000 0.930 253 D CB 0.819 41.694 40.800 0.125 0.000 1.010 253 D HN 0.336 nan 8.370 nan 0.000 0.514 254 V N 3.124 123.100 119.914 0.103 0.000 2.311 254 V HA -0.328 3.792 4.120 -0.000 0.000 0.256 254 V C 2.217 178.362 176.094 0.084 0.000 1.077 254 V CA 1.766 64.131 62.300 0.107 0.000 1.067 254 V CB -0.769 31.122 31.823 0.112 0.000 0.659 254 V HN 0.513 nan 8.190 nan 0.000 0.451 255 E N -0.180 120.061 120.200 0.068 0.000 2.031 255 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 255 E C 2.405 179.045 176.600 0.067 0.000 0.994 255 E CA 1.474 57.909 56.400 0.058 0.000 0.800 255 E CB -0.183 29.552 29.700 0.058 0.000 0.752 255 E HN 0.732 nan 8.360 nan 0.000 0.447 256 E N 0.590 120.836 120.200 0.076 0.000 2.058 256 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 256 E C 2.234 178.856 176.600 0.037 0.000 0.997 256 E CA 0.639 57.104 56.400 0.107 0.000 0.801 256 E CB -0.022 29.780 29.700 0.169 0.000 0.746 256 E HN 0.193 nan 8.360 nan 0.000 0.450 257 L N 0.529 121.675 121.223 -0.129 0.000 2.042 257 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 257 L C 2.413 179.296 176.870 0.022 0.000 1.076 257 L CA 1.019 55.654 54.840 -0.342 0.000 0.749 257 L CB -0.220 41.583 42.059 -0.426 0.000 0.893 257 L HN 0.256 nan 8.230 nan 0.000 0.432 258 I N -0.900 119.768 120.570 0.163 0.000 2.142 258 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 258 I C 2.682 178.878 176.117 0.132 0.000 1.078 258 I CA 1.076 62.489 61.300 0.188 0.000 1.343 258 I CB -0.129 37.876 38.000 0.009 0.000 1.046 258 I HN 0.147 nan 8.210 nan 0.000 0.405 259 R N -0.143 120.424 120.500 0.112 0.000 2.113 259 R HA -0.273 4.067 4.340 -0.000 0.000 0.244 259 R C 2.197 178.606 176.300 0.181 0.000 1.142 259 R CA 1.992 58.163 56.100 0.119 0.000 0.953 259 R CB -1.078 29.299 30.300 0.129 0.000 0.860 259 R HN 0.417 nan 8.270 nan 0.000 0.438 260 Y N 1.039 121.408 120.300 0.115 0.000 2.181 260 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 260 Y C 2.013 178.041 175.900 0.213 0.000 1.146 260 Y CA 1.701 59.927 58.100 0.211 0.000 1.164 260 Y CB -0.001 38.529 38.460 0.116 0.000 0.982 260 Y HN -0.062 nan 8.280 nan 0.000 0.515 261 K N 0.280 120.839 120.400 0.265 0.000 2.442 261 K HA -0.159 4.161 4.320 -0.000 0.000 0.198 261 K C 1.718 178.368 176.600 0.083 0.000 1.042 261 K CA 1.013 57.408 56.287 0.180 0.000 0.958 261 K CB 0.013 32.670 32.500 0.261 0.000 0.766 261 K HN 0.344 nan 8.250 nan 0.000 0.474 262 K N -0.011 120.422 120.400 0.055 0.000 2.202 262 K HA -0.049 4.271 4.320 -0.000 0.000 0.201 262 K C 1.732 178.285 176.600 -0.077 0.000 1.051 262 K CA 0.643 56.926 56.287 -0.007 0.000 0.977 262 K CB 0.249 32.747 32.500 -0.003 0.000 0.792 262 K HN 0.086 nan 8.250 nan 0.000 0.469 263 E N -0.278 119.847 120.200 -0.126 0.000 2.230 263 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 263 E C -0.608 175.575 176.600 -0.695 0.000 0.987 263 E CA 0.550 56.727 56.400 -0.372 0.000 0.841 263 E CB 0.336 29.800 29.700 -0.394 0.000 0.783 263 E HN 0.285 nan 8.360 nan 0.000 0.481 264 H N -2.159 116.739 119.070 -0.287 0.000 2.689 264 H HA 0.302 4.858 4.556 -0.000 0.000 0.346 264 H C 0.768 176.002 175.328 -0.158 0.000 1.037 264 H CA -0.182 55.689 56.048 -0.296 0.000 1.234 264 H CB 1.833 31.230 29.762 -0.608 0.000 1.572 264 H HN 0.077 nan 8.280 nan 0.000 0.524 265 G N 2.396 111.200 108.800 0.006 0.000 2.663 265 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.222 265 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.222 265 G C 0.705 175.637 174.900 0.054 0.000 1.146 265 G CA 1.778 46.892 45.100 0.023 0.000 0.764 265 G HN 0.746 nan 8.290 nan 0.000 0.608 266 T N -3.533 111.067 114.554 0.077 0.000 2.940 266 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 266 T C 1.111 175.906 174.700 0.158 0.000 1.045 266 T CA 0.027 62.180 62.100 0.087 0.000 1.018 266 T CB 1.962 70.869 68.868 0.064 0.000 1.151 266 T HN 0.483 nan 8.240 nan 0.000 0.529 267 V N -0.369 119.572 119.914 0.046 0.000 3.461 267 V HA 0.212 4.332 4.120 -0.000 0.000 0.267 267 V C 1.141 177.213 176.094 -0.038 0.000 1.186 267 V CA -0.176 62.096 62.300 -0.046 0.000 1.154 267 V CB -1.347 30.192 31.823 -0.473 0.000 0.802 267 V HN 0.713 nan 8.190 nan 0.000 0.474 268 V N 1.135 121.071 119.914 0.036 0.000 3.376 268 V HA 0.288 4.408 4.120 -0.000 0.000 0.303 268 V C 1.670 177.835 176.094 0.118 0.000 1.100 268 V CA 0.944 63.266 62.300 0.036 0.000 1.126 268 V CB 0.222 32.068 31.823 0.037 0.000 1.085 268 V HN 0.678 nan 8.190 nan 0.000 0.480 269 T N -0.606 113.986 114.554 0.063 0.000 9.545 269 T HA -0.323 4.027 4.350 -0.000 0.000 0.344 269 T C 0.156 174.838 174.700 -0.029 0.000 1.908 269 T CA 1.537 63.676 62.100 0.066 0.000 3.011 269 T CB -1.888 67.070 68.868 0.149 0.000 2.298 269 T HN 1.002 nan 8.240 nan 0.000 0.992 270 Y N 6.349 126.432 120.300 -0.362 0.000 2.852 270 Y HA 0.301 4.851 4.550 -0.000 0.000 0.343 270 Y C -1.742 173.948 175.900 -0.349 0.000 1.280 270 Y CA -1.762 55.857 58.100 -0.801 0.000 1.604 270 Y CB 0.338 38.206 38.460 -0.987 0.000 1.216 270 Y HN 0.173 nan 8.280 nan 0.000 0.541 271 P HA -0.045 nan 4.420 nan 0.000 0.268 271 P C -0.574 176.388 177.300 -0.563 0.000 1.208 271 P CA 0.088 62.879 63.100 -0.517 0.000 0.777 271 P CB 0.678 32.127 31.700 -0.418 0.000 0.875 272 K N -0.548 119.703 120.400 -0.248 0.000 3.299 272 K HA -0.101 4.219 4.320 -0.000 0.000 0.284 272 K C -0.213 176.403 176.600 0.027 0.000 1.235 272 K CA 0.883 57.088 56.287 -0.136 0.000 0.833 272 K CB -1.733 30.669 32.500 -0.162 0.000 1.330 272 K HN 0.959 nan 8.250 nan 0.000 0.510 273 G N 0.849 109.698 108.800 0.081 0.000 2.739 273 G HA2 0.291 4.251 3.960 -0.000 0.000 0.292 273 G HA3 0.291 4.251 3.960 -0.000 0.000 0.292 273 G C -1.210 173.783 174.900 0.155 0.000 1.444 273 G CA -0.593 44.664 45.100 0.262 0.000 1.144 273 G HN 0.141 nan 8.290 nan 0.000 0.550 274 E N 1.739 122.039 120.200 0.167 0.000 2.104 274 E HA 0.104 4.454 4.350 -0.000 0.000 0.278 274 E C 0.407 177.101 176.600 0.158 0.000 1.127 274 E CA -0.256 56.233 56.400 0.149 0.000 0.897 274 E CB 0.626 30.440 29.700 0.190 0.000 1.043 274 E HN 0.316 nan 8.360 nan 0.000 0.410 275 R N 3.460 124.018 120.500 0.095 0.000 2.502 275 R HA 0.102 4.442 4.340 -0.000 0.000 0.292 275 R C 0.183 176.520 176.300 0.062 0.000 0.998 275 R CA 0.564 56.705 56.100 0.069 0.000 1.056 275 R CB -0.019 30.306 30.300 0.042 0.000 0.939 275 R HN 0.461 nan 8.270 nan 0.000 0.411 276 I N -1.912 118.692 120.570 0.055 0.000 2.994 276 I HA 0.406 4.576 4.170 -0.000 0.000 0.306 276 I C -0.006 176.123 176.117 0.020 0.000 1.195 276 I CA -1.085 60.235 61.300 0.034 0.000 1.001 276 I CB 2.143 40.163 38.000 0.033 0.000 1.244 276 I HN 0.309 nan 8.210 nan 0.000 0.437 277 T N 1.126 115.686 114.554 0.010 0.000 2.868 277 T HA 0.216 4.566 4.350 -0.000 0.000 0.292 277 T C 0.881 175.585 174.700 0.006 0.000 1.028 277 T CA 0.200 62.305 62.100 0.009 0.000 1.059 277 T CB 0.671 69.544 68.868 0.008 0.000 0.991 277 T HN 0.770 nan 8.240 nan 0.000 0.531 278 N N 1.497 120.203 118.700 0.009 0.000 2.104 278 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 278 N C 1.835 177.346 175.510 0.002 0.000 1.024 278 N CA 1.231 54.286 53.050 0.008 0.000 0.853 278 N CB -0.086 38.410 38.487 0.015 0.000 1.008 278 N HN 0.609 nan 8.380 nan 0.000 0.424 279 E N 0.707 120.908 120.200 0.002 0.000 2.110 279 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 279 E C 1.629 178.216 176.600 -0.022 0.000 0.988 279 E CA 0.814 57.209 56.400 -0.008 0.000 0.804 279 E CB -0.140 29.563 29.700 0.005 0.000 0.745 279 E HN 0.568 nan 8.360 nan 0.000 0.458 280 E N 0.835 121.023 120.200 -0.019 0.000 2.047 280 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 280 E C 2.320 178.894 176.600 -0.043 0.000 0.987 280 E CA 0.379 56.758 56.400 -0.036 0.000 0.799 280 E CB -0.158 29.520 29.700 -0.037 0.000 0.752 280 E HN 0.136 nan 8.360 nan 0.000 0.449 281 L N 1.085 122.296 121.223 -0.020 0.000 2.043 281 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 281 L C 2.268 179.134 176.870 -0.006 0.000 1.075 281 L CA 1.135 55.974 54.840 -0.001 0.000 0.752 281 L CB -0.116 41.956 42.059 0.023 0.000 0.891 281 L HN 0.199 nan 8.230 nan 0.000 0.432 282 L N -0.789 120.424 121.223 -0.016 0.000 2.083 282 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 282 L C 1.994 178.845 176.870 -0.031 0.000 1.083 282 L CA 1.271 56.097 54.840 -0.023 0.000 0.752 282 L CB -0.364 41.668 42.059 -0.044 0.000 0.899 282 L HN 0.288 nan 8.230 nan 0.000 0.433 283 E N -0.350 119.825 120.200 -0.042 0.000 2.489 283 E HA 0.104 4.454 4.350 -0.000 0.000 0.193 283 E C 0.377 176.945 176.600 -0.053 0.000 1.057 283 E CA -0.291 56.082 56.400 -0.046 0.000 0.866 283 E CB 0.217 29.887 29.700 -0.049 0.000 0.916 283 E HN 0.333 nan 8.360 nan 0.000 0.500 284 L N 1.104 122.294 121.223 -0.055 0.000 2.506 284 L HA -0.049 4.291 4.340 -0.000 0.000 0.281 284 L C 0.482 177.329 176.870 -0.037 0.000 1.228 284 L CA 0.219 55.013 54.840 -0.076 0.000 0.850 284 L CB 0.279 42.312 42.059 -0.043 0.000 1.110 284 L HN 0.005 nan 8.230 nan 0.000 0.496 285 D N 2.310 122.685 120.400 -0.041 0.000 2.558 285 D HA 0.319 4.959 4.640 -0.000 0.000 0.221 285 D C -0.540 175.778 176.300 0.029 0.000 1.143 285 D CA -0.260 53.736 54.000 -0.007 0.000 1.010 285 D CB 0.234 41.027 40.800 -0.012 0.000 1.068 285 D HN 0.235 nan 8.370 nan 0.000 0.511 286 V N -0.460 119.475 119.914 0.036 0.000 3.046 286 V HA 0.474 4.594 4.120 -0.000 0.000 0.316 286 V C 0.882 177.000 176.094 0.040 0.000 1.104 286 V CA -0.715 61.617 62.300 0.054 0.000 1.006 286 V CB 2.066 33.934 31.823 0.075 0.000 1.058 286 V HN 0.041 nan 8.190 nan 0.000 0.440 287 D N 0.874 121.299 120.400 0.042 0.000 2.097 287 D HA 0.086 4.726 4.640 -0.000 0.000 0.197 287 D C 0.402 176.724 176.300 0.037 0.000 0.984 287 D CA 2.109 56.130 54.000 0.035 0.000 0.826 287 D CB 0.296 41.115 40.800 0.033 0.000 0.973 287 D HN 0.543 nan 8.370 nan 0.000 0.460 288 I N 0.745 121.340 120.570 0.043 0.000 2.498 288 I HA 0.186 4.356 4.170 -0.000 0.000 0.290 288 I C -1.018 175.128 176.117 0.048 0.000 1.032 288 I CA -0.870 60.457 61.300 0.044 0.000 1.073 288 I CB 2.815 40.842 38.000 0.045 0.000 1.251 288 I HN -0.203 nan 8.210 nan 0.000 0.426 289 L N 7.976 129.224 121.223 0.043 0.000 2.287 289 L HA 0.576 4.916 4.340 -0.000 0.000 0.287 289 L C -0.756 176.140 176.870 0.043 0.000 1.022 289 L CA -0.328 54.537 54.840 0.042 0.000 0.814 289 L CB 1.597 43.672 42.059 0.028 0.000 1.217 289 L HN 0.355 nan 8.230 nan 0.000 0.420 290 V N 7.415 127.359 119.914 0.050 0.000 2.235 290 V HA 0.326 4.446 4.120 -0.000 0.000 0.266 290 V C -2.058 174.065 176.094 0.048 0.000 1.055 290 V CA -1.165 61.165 62.300 0.051 0.000 0.844 290 V CB 0.689 32.548 31.823 0.060 0.000 1.097 290 V HN 0.693 nan 8.190 nan 0.000 0.453 291 P HA 0.134 nan 4.420 nan 0.000 0.264 291 P C 0.188 177.507 177.300 0.033 0.000 1.537 291 P CA 0.299 63.418 63.100 0.031 0.000 1.189 291 P CB 0.631 32.342 31.700 0.019 0.000 1.687 292 A N 2.482 125.328 122.820 0.043 0.000 3.264 292 A HA 0.605 4.925 4.320 -0.000 0.000 0.299 292 A C 0.862 178.471 177.584 0.042 0.000 1.272 292 A CA 0.000 52.062 52.037 0.040 0.000 1.030 292 A CB -0.141 18.886 19.000 0.045 0.000 1.102 292 A HN 0.470 nan 8.150 nan 0.000 0.615 293 A N 0.094 122.936 122.820 0.037 0.000 2.364 293 A HA 0.779 5.099 4.320 -0.000 0.000 0.193 293 A C -0.135 177.468 177.584 0.032 0.000 1.530 293 A CA -0.120 51.940 52.037 0.038 0.000 1.613 293 A CB 0.126 19.151 19.000 0.042 0.000 1.767 293 A HN 0.395 nan 8.150 nan 0.000 0.657 294 L N 0.962 122.205 121.223 0.033 0.000 2.365 294 L HA 0.422 4.762 4.340 -0.000 0.000 0.267 294 L C -0.193 176.695 176.870 0.030 0.000 1.033 294 L CA -0.750 54.109 54.840 0.032 0.000 0.802 294 L CB 1.174 43.256 42.059 0.038 0.000 1.267 294 L HN 0.652 nan 8.230 nan 0.000 0.457 295 E N -0.029 120.189 120.200 0.030 0.000 2.392 295 E HA 0.241 4.591 4.350 -0.000 0.000 0.256 295 E C 0.820 177.449 176.600 0.049 0.000 1.145 295 E CA 0.187 56.604 56.400 0.029 0.000 0.929 295 E CB 0.316 30.030 29.700 0.023 0.000 0.998 295 E HN 0.815 nan 8.360 nan 0.000 0.442 296 G N 0.909 109.741 108.800 0.055 0.000 2.200 296 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.267 296 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.267 296 G C 1.066 176.049 174.900 0.138 0.000 0.993 296 G CA 0.781 45.941 45.100 0.099 0.000 0.701 296 G HN 0.680 nan 8.290 nan 0.000 0.524 297 A N -0.652 122.210 122.820 0.070 0.000 1.917 297 A HA 0.185 4.505 4.320 -0.000 0.000 0.219 297 A C 1.358 178.908 177.584 -0.055 0.000 1.182 297 A CA 1.538 53.595 52.037 0.035 0.000 0.633 297 A CB -0.068 18.941 19.000 0.015 0.000 0.819 297 A HN 0.900 nan 8.150 nan 0.000 0.448 298 I N 1.161 121.697 120.570 -0.057 0.000 2.307 298 I HA 0.293 4.463 4.170 -0.000 0.000 0.289 298 I C 0.305 176.372 176.117 -0.084 0.000 1.021 298 I CA -0.472 60.746 61.300 -0.136 0.000 1.224 298 I CB 0.669 38.630 38.000 -0.065 0.000 1.376 298 I HN 0.561 nan 8.210 nan 0.000 0.470 299 H N 4.232 123.305 119.070 0.006 0.000 3.024 299 H HA 0.572 5.128 4.556 -0.000 0.000 0.305 299 H C 0.925 176.255 175.328 0.004 0.000 1.506 299 H CA -0.691 55.360 56.048 0.004 0.000 1.324 299 H CB 0.823 30.588 29.762 0.005 0.000 1.925 299 H HN 0.418 nan 8.280 nan 0.000 0.661 300 A N 0.366 123.345 122.820 0.266 0.000 1.881 300 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 300 A C 2.384 180.064 177.584 0.159 0.000 1.215 300 A CA 2.992 55.123 52.037 0.157 0.000 0.648 300 A CB -1.854 17.210 19.000 0.106 0.000 0.832 300 A HN 0.865 nan 8.150 nan 0.000 0.455 301 G N -0.600 108.387 108.800 0.311 0.000 2.446 301 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 301 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 301 G C 1.377 176.303 174.900 0.044 0.000 1.168 301 G CA 1.386 46.596 45.100 0.183 0.000 0.771 301 G HN 0.697 nan 8.290 nan 0.000 0.551 302 N N 1.239 119.875 118.700 -0.106 0.000 2.062 302 N HA 0.083 4.823 4.740 -0.000 0.000 0.191 302 N C 2.498 177.959 175.510 -0.082 0.000 1.042 302 N CA 1.360 54.316 53.050 -0.157 0.000 0.845 302 N CB -0.469 37.828 38.487 -0.316 0.000 1.024 302 N HN 0.319 nan 8.380 nan 0.000 0.424 303 A N 1.773 124.548 122.820 -0.075 0.000 1.913 303 A HA -0.367 3.953 4.320 -0.000 0.000 0.236 303 A C 1.946 179.519 177.584 -0.018 0.000 1.760 303 A CA 2.221 54.239 52.037 -0.032 0.000 0.740 303 A CB -1.012 17.985 19.000 -0.004 0.000 0.847 303 A HN 0.345 nan 8.150 nan 0.000 0.508 304 E N -1.187 119.009 120.200 -0.007 0.000 2.267 304 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 304 E C 2.044 178.639 176.600 -0.009 0.000 0.998 304 E CA 1.404 57.802 56.400 -0.003 0.000 0.830 304 E CB -0.145 29.558 29.700 0.005 0.000 0.751 304 E HN 0.662 nan 8.360 nan 0.000 0.491 305 R N -0.218 120.272 120.500 -0.017 0.000 2.308 305 R HA 0.226 4.566 4.340 -0.000 0.000 0.202 305 R C 0.740 177.025 176.300 -0.024 0.000 0.898 305 R CA -0.112 55.976 56.100 -0.020 0.000 1.046 305 R CB 0.543 30.829 30.300 -0.023 0.000 1.026 305 R HN 0.022 nan 8.270 nan 0.000 0.512 306 I N 2.218 122.772 120.570 -0.027 0.000 2.587 306 I HA -0.074 4.096 4.170 -0.000 0.000 0.284 306 I C 0.822 176.931 176.117 -0.014 0.000 1.134 306 I CA 0.713 61.998 61.300 -0.024 0.000 1.410 306 I CB 0.880 38.864 38.000 -0.026 0.000 1.392 306 I HN 0.143 nan 8.210 nan 0.000 0.545 307 K N 4.789 125.182 120.400 -0.012 0.000 2.379 307 K HA 0.182 4.502 4.320 -0.000 0.000 0.194 307 K C 0.819 177.421 176.600 0.003 0.000 1.031 307 K CA -0.024 56.260 56.287 -0.005 0.000 1.037 307 K CB 0.295 32.790 32.500 -0.009 0.000 0.824 307 K HN 0.716 nan 8.250 nan 0.000 0.516 308 A N 2.175 124.998 122.820 0.005 0.000 2.540 308 A HA -0.041 4.279 4.320 -0.000 0.000 0.239 308 A C 0.750 178.344 177.584 0.017 0.000 1.061 308 A CA 0.214 52.260 52.037 0.015 0.000 0.758 308 A CB 0.253 19.263 19.000 0.017 0.000 0.991 308 A HN 0.225 nan 8.150 nan 0.000 0.502 309 K N 1.243 121.656 120.400 0.022 0.000 2.228 309 K HA 0.229 4.549 4.320 -0.000 0.000 0.202 309 K C 0.545 177.163 176.600 0.030 0.000 1.051 309 K CA 1.301 57.603 56.287 0.024 0.000 0.960 309 K CB 0.030 32.546 32.500 0.026 0.000 0.743 309 K HN 0.776 nan 8.250 nan 0.000 0.458 310 A N 0.724 123.565 122.820 0.035 0.000 2.520 310 A HA 0.526 4.846 4.320 -0.000 0.000 0.298 310 A C -1.307 176.303 177.584 0.043 0.000 1.051 310 A CA -0.699 51.365 52.037 0.044 0.000 0.690 310 A CB 1.814 20.849 19.000 0.058 0.000 1.281 310 A HN -0.087 nan 8.150 nan 0.000 0.402 311 V N 2.309 122.248 119.914 0.042 0.000 2.378 311 V HA 0.396 4.516 4.120 -0.000 0.000 0.288 311 V C -0.444 175.679 176.094 0.048 0.000 1.016 311 V CA -0.527 61.796 62.300 0.038 0.000 0.840 311 V CB 1.509 33.346 31.823 0.024 0.000 0.994 311 V HN 0.656 nan 8.190 nan 0.000 0.431 312 V N 4.795 124.740 119.914 0.052 0.000 2.304 312 V HA 0.250 4.370 4.120 -0.000 0.000 0.269 312 V C 0.572 176.692 176.094 0.044 0.000 1.036 312 V CA -0.530 61.807 62.300 0.061 0.000 0.840 312 V CB 0.932 32.795 31.823 0.067 0.000 1.036 312 V HN 0.902 nan 8.190 nan 0.000 0.466 313 E N 3.867 124.086 120.200 0.032 0.000 1.939 313 E HA 0.080 4.430 4.350 -0.000 0.000 0.259 313 E C 1.390 178.001 176.600 0.018 0.000 1.259 313 E CA 0.209 56.620 56.400 0.018 0.000 0.971 313 E CB 0.699 30.399 29.700 -0.000 0.000 1.055 313 E HN 0.852 nan 8.360 nan 0.000 0.420 314 G N 2.839 111.654 108.800 0.026 0.000 2.448 314 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.218 314 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.218 314 G C 0.694 175.604 174.900 0.018 0.000 1.135 314 G CA 0.599 45.715 45.100 0.028 0.000 0.784 314 G HN 0.523 nan 8.290 nan 0.000 0.543 315 A N -0.198 122.630 122.820 0.013 0.000 2.420 315 A HA 0.661 4.981 4.320 -0.000 0.000 0.291 315 A C -0.315 177.261 177.584 -0.013 0.000 1.228 315 A CA -0.685 51.355 52.037 0.006 0.000 0.933 315 A CB 0.509 19.517 19.000 0.013 0.000 1.428 315 A HN 0.104 nan 8.150 nan 0.000 0.493 316 N N -0.043 118.645 118.700 -0.019 0.000 2.426 316 N HA 0.432 5.172 4.740 -0.000 0.000 0.257 316 N C 0.518 176.001 175.510 -0.045 0.000 1.002 316 N CA 1.092 54.113 53.050 -0.047 0.000 0.942 316 N CB 0.969 39.426 38.487 -0.050 0.000 1.112 316 N HN 1.266 nan 8.380 nan 0.000 0.499 317 G N 3.850 112.612 108.800 -0.063 0.000 2.356 317 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.296 317 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.296 317 G C -1.515 173.379 174.900 -0.010 0.000 1.022 317 G CA -0.291 44.783 45.100 -0.044 0.000 0.961 317 G HN 0.484 nan 8.290 nan 0.000 0.510 318 P HA -0.016 nan 4.420 nan 0.000 0.217 318 P C 1.368 178.676 177.300 0.013 0.000 1.150 318 P CA 1.918 65.023 63.100 0.009 0.000 0.832 318 P CB 0.011 31.715 31.700 0.007 0.000 0.787 319 T N -2.052 112.506 114.554 0.007 0.000 2.799 319 T HA 0.451 4.801 4.350 -0.000 0.000 0.286 319 T C 0.276 174.989 174.700 0.022 0.000 0.973 319 T CA -0.695 61.412 62.100 0.012 0.000 1.035 319 T CB 0.633 69.504 68.868 0.006 0.000 0.932 319 T HN -0.007 nan 8.240 nan 0.000 0.469 320 T N 1.344 115.922 114.554 0.041 0.000 2.849 320 T HA 0.350 4.700 4.350 -0.000 0.000 0.284 320 T C -1.489 173.229 174.700 0.031 0.000 1.004 320 T CA -1.810 60.316 62.100 0.043 0.000 1.021 320 T CB 0.574 69.483 68.868 0.068 0.000 1.013 320 T HN 0.339 nan 8.240 nan 0.000 0.527 321 P HA -0.137 nan 4.420 nan 0.000 0.216 321 P C 1.275 178.586 177.300 0.017 0.000 1.150 321 P CA 1.197 64.307 63.100 0.016 0.000 0.837 321 P CB 0.127 31.833 31.700 0.009 0.000 0.786 322 E N 0.699 120.914 120.200 0.024 0.000 2.058 322 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 322 E C 2.249 178.866 176.600 0.027 0.000 0.997 322 E CA 1.561 57.976 56.400 0.026 0.000 0.801 322 E CB -1.378 28.343 29.700 0.035 0.000 0.746 322 E HN 0.244 nan 8.360 nan 0.000 0.450 323 A N 2.095 124.936 122.820 0.035 0.000 1.933 323 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 323 A C 1.957 179.549 177.584 0.015 0.000 1.175 323 A CA 1.767 53.819 52.037 0.024 0.000 0.628 323 A CB -0.438 18.575 19.000 0.022 0.000 0.814 323 A HN 0.093 nan 8.150 nan 0.000 0.444 324 D N -0.286 120.123 120.400 0.015 0.000 2.087 324 D HA -0.168 4.472 4.640 -0.000 0.000 0.192 324 D C 1.954 178.260 176.300 0.010 0.000 0.993 324 D CA 1.640 55.647 54.000 0.012 0.000 0.828 324 D CB -0.369 40.439 40.800 0.013 0.000 0.968 324 D HN 0.617 nan 8.370 nan 0.000 0.448 325 E N 0.269 120.475 120.200 0.009 0.000 2.065 325 E HA -0.194 4.156 4.350 -0.000 0.000 0.201 325 E C 2.453 179.057 176.600 0.008 0.000 1.016 325 E CA 0.830 57.234 56.400 0.007 0.000 0.818 325 E CB -0.170 29.534 29.700 0.006 0.000 0.749 325 E HN 0.359 nan 8.360 nan 0.000 0.453 326 I N 0.900 121.476 120.570 0.009 0.000 2.163 326 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 326 I C 2.504 178.625 176.117 0.007 0.000 1.085 326 I CA 1.082 62.387 61.300 0.008 0.000 1.347 326 I CB -0.354 37.653 38.000 0.010 0.000 1.044 326 I HN 0.117 nan 8.210 nan 0.000 0.408 327 L N 0.070 121.297 121.223 0.006 0.000 2.046 327 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 327 L C 2.741 179.616 176.870 0.007 0.000 1.077 327 L CA 1.324 56.167 54.840 0.006 0.000 0.747 327 L CB -0.558 41.504 42.059 0.005 0.000 0.896 327 L HN 0.202 nan 8.230 nan 0.000 0.432 328 S N -0.637 115.067 115.700 0.007 0.000 2.348 328 S HA -0.197 4.273 4.470 -0.000 0.000 0.221 328 S C 2.040 176.644 174.600 0.007 0.000 1.033 328 S CA 1.072 59.277 58.200 0.008 0.000 1.010 328 S CB -0.316 62.888 63.200 0.007 0.000 0.891 328 S HN 0.304 nan 8.310 nan 0.000 0.442 329 R N 1.022 121.526 120.500 0.007 0.000 2.113 329 R HA -0.076 4.264 4.340 -0.000 0.000 0.244 329 R C 2.389 178.692 176.300 0.006 0.000 1.142 329 R CA 1.521 57.625 56.100 0.006 0.000 0.953 329 R CB -0.192 30.111 30.300 0.005 0.000 0.860 329 R HN 0.348 nan 8.270 nan 0.000 0.438 330 R N -1.134 119.370 120.500 0.006 0.000 2.235 330 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 330 R C 1.136 177.441 176.300 0.008 0.000 1.059 330 R CA 0.706 56.809 56.100 0.006 0.000 0.997 330 R CB 0.138 30.441 30.300 0.005 0.000 0.884 330 R HN 0.506 nan 8.270 nan 0.000 0.462 331 G N 1.403 110.208 108.800 0.009 0.000 2.149 331 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.235 331 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.235 331 G C 0.056 174.964 174.900 0.014 0.000 1.018 331 G CA -0.307 44.800 45.100 0.011 0.000 0.728 331 G HN 0.222 nan 8.290 nan 0.000 0.508 332 I N 0.431 121.009 120.570 0.013 0.000 2.395 332 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 332 I C 0.749 176.877 176.117 0.019 0.000 1.023 332 I CA -1.019 60.290 61.300 0.016 0.000 1.350 332 I CB 1.287 39.295 38.000 0.012 0.000 1.409 332 I HN 0.116 nan 8.210 nan 0.000 0.507 333 L N 8.740 129.979 121.223 0.027 0.000 2.418 333 L HA 0.223 4.563 4.340 -0.000 0.000 0.274 333 L C -0.407 176.482 176.870 0.031 0.000 1.135 333 L CA 0.371 55.230 54.840 0.032 0.000 0.870 333 L CB 0.740 42.831 42.059 0.053 0.000 1.154 333 L HN 0.319 nan 8.230 nan 0.000 0.462 334 V N 6.705 126.630 119.914 0.018 0.000 2.284 334 V HA 0.242 4.362 4.120 -0.000 0.000 0.274 334 V C -0.186 175.911 176.094 0.005 0.000 1.023 334 V CA -0.764 61.545 62.300 0.016 0.000 0.808 334 V CB 1.428 33.256 31.823 0.009 0.000 1.035 334 V HN 0.511 nan 8.190 nan 0.000 0.445 335 V N 8.497 128.427 119.914 0.025 0.000 2.446 335 V HA 0.158 4.278 4.120 -0.000 0.000 0.276 335 V C -1.670 174.419 176.094 -0.007 0.000 1.030 335 V CA -1.384 60.926 62.300 0.016 0.000 1.033 335 V CB 0.656 32.543 31.823 0.107 0.000 0.993 335 V HN 0.664 nan 8.190 nan 0.000 0.477 336 P HA -0.001 nan 4.420 nan 0.000 0.262 336 P C 0.512 177.771 177.300 -0.068 0.000 1.182 336 P CA 0.078 63.134 63.100 -0.072 0.000 0.761 336 P CB 0.653 32.275 31.700 -0.129 0.000 0.795 337 D N 4.547 124.903 120.400 -0.073 0.000 2.123 337 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 337 D C 1.761 178.012 176.300 -0.082 0.000 0.992 337 D CA 1.205 55.166 54.000 -0.066 0.000 0.833 337 D CB -0.682 40.071 40.800 -0.078 0.000 0.954 337 D HN 0.479 nan 8.370 nan 0.000 0.455 338 I N -0.848 119.640 120.570 -0.138 0.000 2.236 338 I HA -0.256 3.914 4.170 -0.000 0.000 0.249 338 I C 2.596 178.667 176.117 -0.077 0.000 1.102 338 I CA 1.267 62.491 61.300 -0.127 0.000 1.365 338 I CB -0.565 37.306 38.000 -0.215 0.000 1.051 338 I HN -0.007 nan 8.210 nan 0.000 0.420 339 L N 1.578 122.754 121.223 -0.079 0.000 2.145 339 L HA 0.244 4.584 4.340 -0.000 0.000 0.201 339 L C 2.658 179.541 176.870 0.020 0.000 1.075 339 L CA 1.798 56.621 54.840 -0.029 0.000 0.773 339 L CB -0.845 41.185 42.059 -0.049 0.000 0.936 339 L HN 0.191 nan 8.230 nan 0.000 0.451 340 A N 1.166 123.998 122.820 0.021 0.000 1.859 340 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 340 A C 1.665 179.270 177.584 0.036 0.000 1.198 340 A CA 2.062 54.128 52.037 0.048 0.000 0.629 340 A CB -1.258 17.766 19.000 0.039 0.000 0.830 340 A HN 0.749 nan 8.150 nan 0.000 0.446 341 N N -0.215 118.493 118.700 0.014 0.000 2.327 341 N HA 0.413 5.153 4.740 -0.000 0.000 0.231 341 N C 0.667 176.182 175.510 0.008 0.000 1.130 341 N CA 0.766 53.824 53.050 0.013 0.000 0.845 341 N CB -0.148 38.343 38.487 0.005 0.000 1.073 341 N HN 0.331 nan 8.380 nan 0.000 0.496 342 A N -0.092 122.733 122.820 0.009 0.000 2.119 342 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 342 A C 2.158 179.746 177.584 0.008 0.000 1.152 342 A CA 0.780 52.819 52.037 0.005 0.000 0.708 342 A CB -1.076 17.927 19.000 0.005 0.000 0.805 342 A HN 0.401 nan 8.150 nan 0.000 0.460 343 G N 0.320 109.132 108.800 0.020 0.000 2.547 343 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.221 343 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.221 343 G C 1.514 176.421 174.900 0.012 0.000 1.140 343 G CA 1.421 46.535 45.100 0.025 0.000 0.760 343 G HN 0.673 nan 8.290 nan 0.000 0.583 344 G N 0.439 109.242 108.800 0.005 0.000 2.552 344 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 344 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 344 G C 1.788 176.683 174.900 -0.008 0.000 1.240 344 G CA 1.527 46.626 45.100 -0.002 0.000 0.796 344 G HN 0.343 nan 8.290 nan 0.000 0.568 345 V N 1.215 121.122 119.914 -0.013 0.000 2.317 345 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 345 V C 3.212 179.304 176.094 -0.003 0.000 1.065 345 V CA 2.516 64.807 62.300 -0.015 0.000 1.049 345 V CB -1.056 30.760 31.823 -0.013 0.000 0.651 345 V HN 0.471 nan 8.190 nan 0.000 0.450 346 T N -0.402 114.128 114.554 -0.041 0.000 2.720 346 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 346 T C 1.872 176.380 174.700 -0.321 0.000 1.037 346 T CA 1.645 63.654 62.100 -0.151 0.000 1.144 346 T CB -0.270 68.526 68.868 -0.121 0.000 0.864 346 T HN 0.331 nan 8.240 nan 0.000 0.444 347 V N 1.729 121.578 119.914 -0.108 0.000 2.667 347 V HA -0.117 4.003 4.120 -0.000 0.000 0.252 347 V C 2.765 178.895 176.094 0.059 0.000 1.065 347 V CA 1.721 64.043 62.300 0.037 0.000 1.083 347 V CB -0.628 31.262 31.823 0.112 0.000 0.692 347 V HN 0.621 nan 8.190 nan 0.000 0.468 348 S N -0.304 115.419 115.700 0.037 0.000 2.402 348 S HA -0.253 4.217 4.470 -0.000 0.000 0.229 348 S C 2.062 176.771 174.600 0.182 0.000 1.021 348 S CA 1.605 59.842 58.200 0.062 0.000 0.974 348 S CB -0.507 62.687 63.200 -0.010 0.000 0.800 348 S HN 0.681 nan 8.310 nan 0.000 0.484 349 Y N 1.657 122.019 120.300 0.103 0.000 2.163 349 Y HA -0.001 4.549 4.550 -0.000 0.000 0.288 349 Y C 1.632 177.730 175.900 0.330 0.000 1.136 349 Y CA 1.384 59.693 58.100 0.349 0.000 1.147 349 Y CB -0.957 37.594 38.460 0.152 0.000 0.987 349 Y HN 0.277 nan 8.280 nan 0.000 0.509 350 F N 1.248 121.178 119.950 -0.034 0.000 2.161 350 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 350 F C 2.626 178.183 175.800 -0.406 0.000 1.089 350 F CA 1.582 59.390 58.000 -0.320 0.000 1.282 350 F CB -1.196 37.743 39.000 -0.102 0.000 1.010 350 F HN 0.256 nan 8.300 nan 0.000 0.485 351 E N -0.844 119.380 120.200 0.040 0.000 2.051 351 E HA -0.284 4.066 4.350 -0.000 0.000 0.192 351 E C 2.216 178.841 176.600 0.042 0.000 0.991 351 E CA 1.461 57.864 56.400 0.004 0.000 0.799 351 E CB -0.524 29.214 29.700 0.064 0.000 0.748 351 E HN 0.468 nan 8.360 nan 0.000 0.449 352 W N 0.734 122.008 121.300 -0.042 0.000 2.374 352 W HA -0.189 4.471 4.660 -0.000 0.000 0.288 352 W C 1.803 178.282 176.519 -0.066 0.000 1.218 352 W CA 1.336 58.679 57.345 -0.003 0.000 1.245 352 W CB -0.212 29.347 29.460 0.164 0.000 1.126 352 W HN -0.071 nan 8.180 nan 0.000 0.545 353 V N 0.508 120.353 119.914 -0.114 0.000 2.270 353 V HA -0.330 3.790 4.120 -0.000 0.000 0.245 353 V C 2.296 178.159 176.094 -0.384 0.000 1.043 353 V CA 2.388 64.493 62.300 -0.325 0.000 1.014 353 V CB -1.170 30.505 31.823 -0.248 0.000 0.645 353 V HN 0.154 nan 8.190 nan 0.000 0.447 354 Q N -0.384 119.120 119.800 -0.494 0.000 2.135 354 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 354 Q C 2.048 177.719 176.000 -0.548 0.000 0.981 354 Q CA 1.957 57.394 55.803 -0.610 0.000 0.856 354 Q CB -0.193 28.125 28.738 -0.700 0.000 0.902 354 Q HN 0.617 nan 8.270 nan 0.000 0.425 355 D N -0.208 119.985 120.400 -0.346 0.000 2.144 355 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 355 D C 1.711 177.835 176.300 -0.295 0.000 0.978 355 D CA 0.694 54.550 54.000 -0.240 0.000 0.833 355 D CB 0.018 40.762 40.800 -0.094 0.000 0.961 355 D HN 0.125 nan 8.370 nan 0.000 0.470 356 L N 1.028 121.996 121.223 -0.426 0.000 2.012 356 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 356 L C 2.181 178.917 176.870 -0.222 0.000 1.073 356 L CA 1.675 56.282 54.840 -0.389 0.000 0.748 356 L CB -0.867 40.853 42.059 -0.565 0.000 0.891 356 L HN 0.218 nan 8.230 nan 0.000 0.431 357 Q N -2.373 117.294 119.800 -0.220 0.000 2.280 357 Q HA 0.116 4.456 4.340 -0.000 0.000 0.201 357 Q C 0.616 176.521 176.000 -0.158 0.000 0.890 357 Q CA 0.587 56.308 55.803 -0.137 0.000 0.947 357 Q CB 0.122 28.822 28.738 -0.064 0.000 1.081 357 Q HN 0.224 nan 8.270 nan 0.000 0.502 358 S N 0.131 115.665 115.700 -0.277 0.000 3.419 358 S HA -0.197 4.273 4.470 -0.000 0.000 0.350 358 S C -0.533 173.819 174.600 -0.414 0.000 1.128 358 S CA 0.869 58.856 58.200 -0.355 0.000 0.999 358 S CB -1.228 61.908 63.200 -0.107 0.000 0.923 358 S HN 0.629 nan 8.310 nan 0.000 0.522 359 F N 0.987 120.529 119.950 -0.681 0.000 2.495 359 F HA 0.708 5.235 4.527 -0.000 0.000 0.327 359 F C -0.576 174.820 175.800 -0.674 0.000 1.103 359 F CA -1.925 55.801 58.000 -0.455 0.000 0.949 359 F CB 0.915 39.825 39.000 -0.150 0.000 1.142 359 F HN -0.011 nan 8.300 nan 0.000 0.457 360 F N 4.264 123.944 119.950 -0.450 0.000 2.495 360 F HA 0.425 4.952 4.527 -0.000 0.000 0.327 360 F C -0.708 174.872 175.800 -0.367 0.000 1.103 360 F CA -0.930 56.812 58.000 -0.430 0.000 0.949 360 F CB 0.992 39.825 39.000 -0.278 0.000 1.142 360 F HN 0.289 nan 8.300 nan 0.000 0.457 361 W N 1.390 122.596 121.300 -0.156 0.000 2.183 361 W HA 0.330 4.990 4.660 0.000 0.000 0.348 361 W C -0.211 176.234 176.519 -0.124 0.000 1.257 361 W CA -1.429 55.801 57.345 -0.191 0.000 1.324 361 W CB 0.113 29.468 29.460 -0.175 0.000 1.144 361 W HN 0.512 nan 8.180 nan 0.000 0.622 362 D N -0.484 119.992 120.400 0.126 0.000 2.340 362 D HA 0.257 4.897 4.640 -0.000 0.000 0.251 362 D C 1.132 177.464 176.300 0.053 0.000 1.080 362 D CA -0.717 53.312 54.000 0.048 0.000 0.971 362 D CB 0.942 41.748 40.800 0.009 0.000 1.137 362 D HN 0.044 nan 8.370 nan 0.000 0.475 363 L N 1.150 122.386 121.223 0.022 0.000 1.997 363 L HA -0.299 4.041 4.340 -0.000 0.000 0.227 363 L C 1.211 178.088 176.870 0.013 0.000 1.087 363 L CA 2.275 57.124 54.840 0.015 0.000 0.797 363 L CB -1.146 40.911 42.059 -0.003 0.000 0.902 363 L HN 0.626 nan 8.230 nan 0.000 0.441 364 D N -1.363 119.035 120.400 -0.004 0.000 2.157 364 D HA -0.282 4.358 4.640 -0.000 0.000 0.191 364 D C 2.130 178.407 176.300 -0.038 0.000 1.004 364 D CA 1.845 55.834 54.000 -0.019 0.000 0.854 364 D CB -0.155 40.629 40.800 -0.026 0.000 0.936 364 D HN 0.555 nan 8.370 nan 0.000 0.446 365 Q N 0.054 119.826 119.800 -0.047 0.000 1.975 365 Q HA -0.153 4.187 4.340 -0.000 0.000 0.205 365 Q C 2.481 178.417 176.000 -0.106 0.000 0.990 365 Q CA 1.448 57.176 55.803 -0.126 0.000 0.845 365 Q CB -0.270 28.380 28.738 -0.147 0.000 0.913 365 Q HN 0.224 nan 8.270 nan 0.000 0.420 366 V N 0.947 120.886 119.914 0.042 0.000 2.282 366 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 366 V C 2.249 178.373 176.094 0.050 0.000 1.057 366 V CA 2.215 64.552 62.300 0.061 0.000 1.032 366 V CB -0.682 31.236 31.823 0.159 0.000 0.645 366 V HN 0.291 nan 8.190 nan 0.000 0.447 367 R N 0.395 120.919 120.500 0.039 0.000 2.103 367 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 367 R C 2.244 178.564 176.300 0.034 0.000 1.132 367 R CA 2.548 58.672 56.100 0.040 0.000 0.925 367 R CB -0.615 29.692 30.300 0.011 0.000 0.842 367 R HN 0.679 nan 8.270 nan 0.000 0.430 368 N N -0.154 118.538 118.700 -0.013 0.000 2.061 368 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 368 N C 1.754 177.260 175.510 -0.006 0.000 1.030 368 N CA 1.415 54.451 53.050 -0.024 0.000 0.856 368 N CB -0.248 38.200 38.487 -0.065 0.000 1.023 368 N HN 0.286 nan 8.380 nan 0.000 0.424 369 A N 1.122 123.901 122.820 -0.068 0.000 1.865 369 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 369 A C 2.193 179.951 177.584 0.290 0.000 1.191 369 A CA 1.327 53.341 52.037 -0.037 0.000 0.623 369 A CB -0.998 17.679 19.000 -0.538 0.000 0.826 369 A HN 0.292 nan 8.150 nan 0.000 0.444 370 L N -0.002 121.458 121.223 0.395 0.000 2.012 370 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 370 L C 2.301 179.304 176.870 0.222 0.000 1.073 370 L CA 2.576 57.675 54.840 0.432 0.000 0.748 370 L CB -0.610 41.658 42.059 0.349 0.000 0.891 370 L HN 0.525 nan 8.230 nan 0.000 0.431 371 E N -0.515 119.769 120.200 0.140 0.000 2.106 371 E HA -0.278 4.072 4.350 -0.000 0.000 0.192 371 E C 2.142 178.790 176.600 0.081 0.000 0.984 371 E CA 1.310 57.759 56.400 0.083 0.000 0.806 371 E CB -0.134 29.593 29.700 0.045 0.000 0.750 371 E HN 0.520 nan 8.360 nan 0.000 0.458 372 K N 0.852 121.307 120.400 0.092 0.000 2.002 372 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 372 K C 2.194 178.858 176.600 0.107 0.000 1.048 372 K CA 1.397 57.733 56.287 0.082 0.000 0.930 372 K CB -0.054 32.489 32.500 0.071 0.000 0.714 372 K HN 0.026 nan 8.250 nan 0.000 0.438 373 M N -0.013 119.682 119.600 0.159 0.000 2.159 373 M HA -0.170 4.310 4.480 -0.000 0.000 0.263 373 M C 2.273 178.644 176.300 0.118 0.000 1.063 373 M CA 1.142 56.532 55.300 0.150 0.000 1.110 373 M CB -0.112 32.609 32.600 0.201 0.000 1.374 373 M HN 0.227 nan 8.290 nan 0.000 0.411 374 M N 0.590 120.262 119.600 0.119 0.000 2.082 374 M HA -0.221 4.259 4.480 -0.000 0.000 0.258 374 M C 1.922 178.296 176.300 0.123 0.000 1.069 374 M CA 1.966 57.331 55.300 0.108 0.000 1.102 374 M CB -0.851 31.802 32.600 0.088 0.000 1.336 374 M HN 0.131 nan 8.290 nan 0.000 0.404 375 K N -0.502 119.951 120.400 0.088 0.000 2.009 375 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 375 K C 2.097 178.780 176.600 0.139 0.000 1.049 375 K CA 1.735 58.070 56.287 0.081 0.000 0.929 375 K CB -0.332 32.190 32.500 0.037 0.000 0.714 375 K HN 0.302 nan 8.250 nan 0.000 0.440 376 K N 0.843 121.307 120.400 0.108 0.000 2.009 376 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 376 K C 2.181 178.845 176.600 0.107 0.000 1.049 376 K CA 1.522 57.868 56.287 0.098 0.000 0.929 376 K CB -0.221 32.325 32.500 0.076 0.000 0.714 376 K HN 0.156 nan 8.250 nan 0.000 0.440 377 A N 0.994 123.877 122.820 0.104 0.000 1.884 377 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 377 A C 2.061 179.703 177.584 0.095 0.000 1.197 377 A CA 1.853 53.939 52.037 0.081 0.000 0.637 377 A CB -1.061 17.984 19.000 0.076 0.000 0.827 377 A HN 0.543 nan 8.150 nan 0.000 0.450 378 F N 1.356 121.311 119.950 0.008 0.000 2.043 378 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 378 F C 2.282 178.086 175.800 0.006 0.000 1.121 378 F CA 2.373 60.376 58.000 0.005 0.000 1.199 378 F CB -0.294 38.712 39.000 0.010 0.000 0.968 378 F HN 0.245 nan 8.300 nan 0.000 0.478 379 N N 0.534 119.406 118.700 0.286 0.000 2.149 379 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 379 N C 1.403 176.943 175.510 0.050 0.000 1.019 379 N CA 1.702 54.854 53.050 0.170 0.000 0.857 379 N CB -0.654 37.924 38.487 0.152 0.000 0.997 379 N HN 0.377 nan 8.380 nan 0.000 0.426 380 D N 0.392 120.812 120.400 0.034 0.000 2.117 380 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 380 D C 2.112 178.390 176.300 -0.037 0.000 0.987 380 D CA 0.485 54.488 54.000 0.004 0.000 0.829 380 D CB -0.203 40.603 40.800 0.009 0.000 0.961 380 D HN 0.037 nan 8.370 nan 0.000 0.460 381 V N 0.766 120.627 119.914 -0.088 0.000 2.358 381 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 381 V C 2.457 178.466 176.094 -0.142 0.000 1.047 381 V CA 1.065 63.281 62.300 -0.140 0.000 1.035 381 V CB -0.341 31.348 31.823 -0.222 0.000 0.658 381 V HN 0.207 nan 8.190 nan 0.000 0.452 382 M N -0.097 119.401 119.600 -0.170 0.000 2.108 382 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 382 M C 2.185 178.464 176.300 -0.034 0.000 1.066 382 M CA 1.819 57.049 55.300 -0.116 0.000 1.107 382 M CB -1.024 31.532 32.600 -0.074 0.000 1.356 382 M HN 0.328 nan 8.290 nan 0.000 0.406 383 K N -0.337 120.056 120.400 -0.012 0.000 2.001 383 K HA -0.154 4.166 4.320 -0.000 0.000 0.214 383 K C 1.925 178.546 176.600 0.034 0.000 1.050 383 K CA 1.630 57.926 56.287 0.016 0.000 0.934 383 K CB -0.419 32.092 32.500 0.019 0.000 0.718 383 K HN 0.143 nan 8.250 nan 0.000 0.443 384 V N 1.794 121.721 119.914 0.021 0.000 2.332 384 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 384 V C 2.311 178.455 176.094 0.083 0.000 1.055 384 V CA 1.735 64.066 62.300 0.051 0.000 1.038 384 V CB -0.491 31.301 31.823 -0.052 0.000 0.651 384 V HN 0.342 nan 8.190 nan 0.000 0.450 385 K N 0.025 120.431 120.400 0.010 0.000 2.020 385 K HA -0.275 4.045 4.320 -0.000 0.000 0.212 385 K C 2.212 178.850 176.600 0.063 0.000 1.050 385 K CA 2.314 58.610 56.287 0.016 0.000 0.929 385 K CB -0.186 32.293 32.500 -0.035 0.000 0.714 385 K HN 0.572 nan 8.250 nan 0.000 0.443 386 E N 0.026 120.255 120.200 0.048 0.000 2.204 386 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 386 E C 1.896 178.529 176.600 0.054 0.000 0.989 386 E CA 0.924 57.350 56.400 0.043 0.000 0.824 386 E CB 0.106 29.823 29.700 0.028 0.000 0.756 386 E HN 0.209 nan 8.360 nan 0.000 0.477 387 K N -0.327 120.132 120.400 0.098 0.000 2.217 387 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 387 K C 0.916 177.508 176.600 -0.013 0.000 1.051 387 K CA 1.095 57.422 56.287 0.067 0.000 0.952 387 K CB 0.169 32.755 32.500 0.143 0.000 0.736 387 K HN 0.182 nan 8.250 nan 0.000 0.453 388 Y N -0.806 119.482 120.300 -0.020 0.000 2.430 388 Y HA 0.157 4.707 4.550 -0.000 0.000 0.248 388 Y C 0.081 175.969 175.900 -0.019 0.000 1.108 388 Y CA -0.238 57.849 58.100 -0.021 0.000 1.264 388 Y CB 0.552 38.998 38.460 -0.024 0.000 1.172 388 Y HN 0.115 nan 8.280 nan 0.000 0.520 389 N N 0.747 119.516 118.700 0.115 0.000 2.727 389 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 389 N C -0.823 174.724 175.510 0.062 0.000 1.040 389 N CA 0.706 53.792 53.050 0.060 0.000 0.712 389 N CB -0.885 37.618 38.487 0.027 0.000 0.912 389 N HN 0.241 nan 8.380 nan 0.000 0.545 390 V N -3.053 116.902 119.914 0.069 0.000 3.139 390 V HA 0.677 4.797 4.120 -0.000 0.000 0.310 390 V C 0.319 176.423 176.094 0.016 0.000 1.260 390 V CA -0.681 61.645 62.300 0.043 0.000 1.064 390 V CB 1.330 33.183 31.823 0.049 0.000 1.160 390 V HN 0.182 nan 8.190 nan 0.000 0.470 391 D N 0.111 120.516 120.400 0.008 0.000 2.424 391 D HA 0.107 4.747 4.640 -0.000 0.000 0.244 391 D C 1.045 177.336 176.300 -0.015 0.000 1.134 391 D CA 0.562 54.562 54.000 0.000 0.000 0.881 391 D CB 1.089 41.894 40.800 0.008 0.000 1.191 391 D HN 0.744 nan 8.370 nan 0.000 0.445 392 M N 3.998 123.577 119.600 -0.035 0.000 2.143 392 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 392 M C 2.000 178.256 176.300 -0.072 0.000 1.071 392 M CA 1.581 56.834 55.300 -0.078 0.000 1.088 392 M CB 0.033 32.567 32.600 -0.111 0.000 1.360 392 M HN 0.512 nan 8.290 nan 0.000 0.404 393 R N -0.687 119.796 120.500 -0.028 0.000 2.081 393 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 393 R C 1.698 178.064 176.300 0.110 0.000 1.131 393 R CA 2.249 58.356 56.100 0.010 0.000 0.960 393 R CB -0.465 29.879 30.300 0.073 0.000 0.856 393 R HN 0.457 nan 8.270 nan 0.000 0.436 394 T N 0.558 115.172 114.554 0.099 0.000 2.777 394 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 394 T C 1.947 176.652 174.700 0.009 0.000 1.040 394 T CA 1.146 63.308 62.100 0.103 0.000 1.141 394 T CB -0.337 68.538 68.868 0.011 0.000 0.868 394 T HN 0.406 nan 8.240 nan 0.000 0.444 395 A N 1.940 124.725 122.820 -0.059 0.000 1.892 395 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 395 A C 2.726 180.235 177.584 -0.125 0.000 1.188 395 A CA 2.037 53.999 52.037 -0.124 0.000 0.631 395 A CB -1.314 17.622 19.000 -0.106 0.000 0.822 395 A HN 0.548 nan 8.150 nan 0.000 0.447 396 A N -1.920 120.822 122.820 -0.130 0.000 1.972 396 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 396 A C 2.078 179.557 177.584 -0.175 0.000 1.169 396 A CA 1.638 53.572 52.037 -0.172 0.000 0.635 396 A CB -0.722 18.135 19.000 -0.238 0.000 0.810 396 A HN 0.590 nan 8.150 nan 0.000 0.446 397 Y N -0.431 119.822 120.300 -0.078 0.000 2.220 397 Y HA -0.072 4.478 4.550 -0.000 0.000 0.291 397 Y C 2.183 177.983 175.900 -0.165 0.000 1.129 397 Y CA 1.250 59.293 58.100 -0.096 0.000 1.161 397 Y CB -0.338 38.060 38.460 -0.104 0.000 0.997 397 Y HN 0.230 nan 8.280 nan 0.000 0.522 398 I N -1.029 119.508 120.570 -0.055 0.000 2.142 398 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 398 I C 2.322 178.377 176.117 -0.104 0.000 1.078 398 I CA 0.942 62.140 61.300 -0.169 0.000 1.343 398 I CB -0.527 37.243 38.000 -0.383 0.000 1.046 398 I HN 0.171 nan 8.210 nan 0.000 0.405 399 L N 1.206 122.371 121.223 -0.096 0.000 2.089 399 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 399 L C 2.420 179.309 176.870 0.032 0.000 1.079 399 L CA 2.269 57.085 54.840 -0.040 0.000 0.758 399 L CB -1.086 40.945 42.059 -0.047 0.000 0.891 399 L HN 0.250 nan 8.230 nan 0.000 0.433 400 A N -0.314 122.546 122.820 0.065 0.000 1.841 400 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 400 A C 2.268 180.028 177.584 0.294 0.000 1.195 400 A CA 1.893 54.057 52.037 0.213 0.000 0.611 400 A CB -0.897 18.298 19.000 0.324 0.000 0.835 400 A HN 0.463 nan 8.150 nan 0.000 0.443 401 I N 0.013 120.662 120.570 0.131 0.000 2.248 401 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 401 I C 2.237 178.465 176.117 0.185 0.000 1.107 401 I CA 1.919 63.291 61.300 0.119 0.000 1.373 401 I CB -0.407 37.539 38.000 -0.090 0.000 1.055 401 I HN 0.429 nan 8.210 nan 0.000 0.418 402 D N 0.745 121.206 120.400 0.102 0.000 2.088 402 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 402 D C 2.369 178.762 176.300 0.155 0.000 0.992 402 D CA 1.604 55.665 54.000 0.101 0.000 0.831 402 D CB -0.008 40.818 40.800 0.043 0.000 0.973 402 D HN 0.085 nan 8.370 nan 0.000 0.447 403 R N -0.344 120.243 120.500 0.144 0.000 2.103 403 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 403 R C 2.406 178.827 176.300 0.202 0.000 1.142 403 R CA 1.304 57.501 56.100 0.162 0.000 0.960 403 R CB -0.556 29.817 30.300 0.122 0.000 0.858 403 R HN 0.188 nan 8.270 nan 0.000 0.439 404 V N 0.597 120.650 119.914 0.231 0.000 2.626 404 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 404 V C 2.307 178.515 176.094 0.190 0.000 1.067 404 V CA 1.784 64.210 62.300 0.210 0.000 1.081 404 V CB -0.459 31.558 31.823 0.323 0.000 0.686 404 V HN 0.420 nan 8.190 nan 0.000 0.468 405 A N -0.806 122.148 122.820 0.223 0.000 1.872 405 A HA -0.209 4.111 4.320 -0.000 0.000 0.214 405 A C 2.153 179.842 177.584 0.175 0.000 1.187 405 A CA 1.603 53.753 52.037 0.189 0.000 0.614 405 A CB -0.767 18.346 19.000 0.188 0.000 0.826 405 A HN 0.549 nan 8.150 nan 0.000 0.442 406 Y N 1.028 121.370 120.300 0.070 0.000 2.151 406 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 406 Y C 2.642 178.565 175.900 0.040 0.000 1.166 406 Y CA 1.223 59.353 58.100 0.050 0.000 1.163 406 Y CB -0.689 37.799 38.460 0.046 0.000 0.974 406 Y HN 0.320 nan 8.280 nan 0.000 0.511 407 A N -0.460 122.362 122.820 0.003 0.000 1.845 407 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 407 A C 2.320 179.843 177.584 -0.102 0.000 1.195 407 A CA 2.910 54.891 52.037 -0.094 0.000 0.616 407 A CB -1.539 17.459 19.000 -0.003 0.000 0.832 407 A HN 0.567 nan 8.150 nan 0.000 0.443 408 T N -0.845 113.689 114.554 -0.034 0.000 2.720 408 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 408 T C 1.847 176.520 174.700 -0.045 0.000 1.037 408 T CA 1.604 63.685 62.100 -0.030 0.000 1.144 408 T CB -0.327 68.545 68.868 0.006 0.000 0.864 408 T HN 0.485 nan 8.240 nan 0.000 0.444 409 K N 0.850 121.221 120.400 -0.047 0.000 2.002 409 K HA -0.041 4.279 4.320 -0.000 0.000 0.209 409 K C 2.479 179.012 176.600 -0.110 0.000 1.048 409 K CA 1.056 57.313 56.287 -0.050 0.000 0.930 409 K CB -0.108 32.386 32.500 -0.010 0.000 0.714 409 K HN 0.166 nan 8.250 nan 0.000 0.438 410 K N 0.684 120.942 120.400 -0.236 0.000 2.442 410 K HA -0.095 4.225 4.320 -0.000 0.000 0.198 410 K C 1.983 178.493 176.600 -0.150 0.000 1.042 410 K CA 0.898 57.032 56.287 -0.255 0.000 0.958 410 K CB 0.032 32.245 32.500 -0.479 0.000 0.766 410 K HN 0.085 nan 8.250 nan 0.000 0.474 411 R N -0.706 119.725 120.500 -0.115 0.000 2.146 411 R HA 0.064 4.404 4.340 -0.000 0.000 0.206 411 R C 0.630 176.900 176.300 -0.049 0.000 1.049 411 R CA 0.753 56.809 56.100 -0.073 0.000 1.029 411 R CB 0.449 30.711 30.300 -0.063 0.000 0.949 411 R HN 0.287 nan 8.270 nan 0.000 0.471 412 G N 0.000 108.774 108.800 -0.043 0.000 5.446 412 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 412 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 412 G CA 0.000 45.084 45.100 -0.027 0.000 0.502 412 G HN 0.000 nan 8.290 nan 0.000 0.925