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 2zt8_1_A DATA FIRST_RESID 64 DATA SEQUENCE IVDRAKMEDT LKRRFFYDQA FAIYGGVSGL YDFGPVGCAL KNNIIQTWRQ DATA SEQUENCE HFIQEEQILE IDCTMLTPEP VLKTSGHVDK FADFMVKDVK NGECFRADHL DATA SEQUENCE LKAHLQKLMS DKKCSVEKKS EMESVLAQLD NYGQQELADL FVNYNVKSPI DATA SEQUENCE TGNDLSPPVS FNLMFKTFIG PGGNMPGYLR PETAQGIFLN FKRLLEFNQG DATA SEQUENCE KLPFAAAQIG NSFRNEISPR SGLIRVREFT MAEIEHFVDP SEKDHPKFQN DATA SEQUENCE VADLHLYLYS AKAQVSGQSA RKMRLGDAVE QGVINNTVLG YFIGRIYLYL DATA SEQUENCE TKVGISPDKL RFRQHMENEM AHYACDCWDA ESKTSYGWIE IVGCADRSCY DATA SEQUENCE DLSCHARATK VPLVAEKPXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXYV DATA SEQUENCE EEVVPNVIEP SFGLGRIMYT VFEHTFHVRE GDEQRTFFSF PAVVAPFKCS DATA SEQUENCE VLPLSQNQEF MPFVKELSEA LTRHGVSHKV DDSSGSIGRR YARTDEIGVA DATA SEQUENCE FGVTIDFDTV NKTPHTATLR DRDSMRQIRA EISELPSIVQ DLANGNITWA DATA SEQUENCE DVEARYPLFE 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 64 I HA 0.000 nan 4.170 nan 0.000 0.288 64 I C 0.000 176.108 176.117 -0.014 0.000 1.063 64 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 64 I CB 0.000 37.981 38.000 -0.031 0.000 1.214 65 V N 2.949 122.861 119.914 -0.003 0.000 3.155 65 V HA 0.674 4.795 4.120 0.002 0.000 0.313 65 V C -1.276 174.830 176.094 0.021 0.000 1.162 65 V CA -0.378 61.939 62.300 0.028 0.000 1.048 65 V CB 2.578 34.420 31.823 0.032 0.000 1.092 65 V HN 0.820 nan 8.190 nan 0.000 0.447 66 D N 1.925 122.357 120.400 0.055 0.000 2.540 66 D HA 0.266 4.907 4.640 0.002 0.000 0.251 66 D C 1.157 177.415 176.300 -0.070 0.000 1.159 66 D CA -0.158 53.854 54.000 0.020 0.000 0.974 66 D CB 0.383 41.239 40.800 0.095 0.000 0.996 66 D HN 0.557 nan 8.370 nan 0.000 0.512 67 R N 2.272 122.733 120.500 -0.065 0.000 2.119 67 R HA -0.258 4.083 4.340 0.002 0.000 0.246 67 R C 1.645 177.899 176.300 -0.076 0.000 1.146 67 R CA 1.861 57.924 56.100 -0.062 0.000 0.962 67 R CB 0.025 30.305 30.300 -0.033 0.000 0.863 67 R HN 0.400 nan 8.270 nan 0.000 0.442 68 A N 1.361 124.148 122.820 -0.055 0.000 1.837 68 A HA -0.268 4.054 4.320 0.002 0.000 0.216 68 A C 2.115 179.659 177.584 -0.067 0.000 1.210 68 A CA 1.928 53.940 52.037 -0.042 0.000 0.632 68 A CB -0.818 18.168 19.000 -0.024 0.000 0.843 68 A HN 0.442 nan 8.150 nan 0.000 0.448 69 K N -1.072 119.296 120.400 -0.053 0.000 2.113 69 K HA -0.221 4.100 4.320 0.002 0.000 0.208 69 K C 2.169 178.663 176.600 -0.176 0.000 1.047 69 K CA 1.984 58.249 56.287 -0.037 0.000 0.928 69 K CB -0.243 32.301 32.500 0.073 0.000 0.716 69 K HN 0.608 nan 8.250 nan 0.000 0.446 70 M N 0.799 120.120 119.600 -0.464 0.000 2.064 70 M HA -0.192 4.290 4.480 0.002 0.000 0.260 70 M C 1.661 177.700 176.300 -0.436 0.000 1.073 70 M CA 1.778 56.520 55.300 -0.930 0.000 1.124 70 M CB -0.127 31.726 32.600 -1.245 0.000 1.326 70 M HN 0.134 nan 8.290 nan 0.000 0.410 71 E N 0.562 120.619 120.200 -0.238 0.000 2.108 71 E HA -0.288 4.063 4.350 0.002 0.000 0.203 71 E C 1.505 178.024 176.600 -0.134 0.000 1.022 71 E CA 2.185 58.523 56.400 -0.102 0.000 0.823 71 E CB -0.514 29.191 29.700 0.009 0.000 0.744 71 E HN 0.635 nan 8.360 nan 0.000 0.456 72 D N -0.223 120.113 120.400 -0.107 0.000 2.133 72 D HA -0.138 4.503 4.640 0.002 0.000 0.195 72 D C 1.989 178.255 176.300 -0.057 0.000 0.997 72 D CA 1.916 55.874 54.000 -0.069 0.000 0.840 72 D CB -0.285 40.491 40.800 -0.039 0.000 0.947 72 D HN 0.147 nan 8.370 nan 0.000 0.452 73 T N 0.309 114.823 114.554 -0.067 0.000 2.770 73 T HA -0.030 4.321 4.350 0.002 0.000 0.263 73 T C 2.160 176.872 174.700 0.020 0.000 1.039 73 T CA 0.459 62.567 62.100 0.013 0.000 1.142 73 T CB -0.383 68.525 68.868 0.066 0.000 0.868 73 T HN 0.095 nan 8.240 nan 0.000 0.435 74 L N 0.636 121.784 121.223 -0.125 0.000 2.043 74 L HA -0.165 4.176 4.340 0.002 0.000 0.212 74 L C 2.657 179.494 176.870 -0.055 0.000 1.075 74 L CA 1.547 56.260 54.840 -0.212 0.000 0.752 74 L CB -0.507 41.304 42.059 -0.414 0.000 0.891 74 L HN 0.263 nan 8.230 nan 0.000 0.432 75 K N -0.526 119.765 120.400 -0.182 0.000 2.155 75 K HA -0.151 4.170 4.320 0.002 0.000 0.203 75 K C 2.203 178.805 176.600 0.002 0.000 1.052 75 K CA 0.766 56.955 56.287 -0.162 0.000 0.948 75 K CB -0.107 32.257 32.500 -0.226 0.000 0.728 75 K HN 0.192 nan 8.250 nan 0.000 0.448 76 R N 0.927 121.441 120.500 0.024 0.000 2.090 76 R HA -0.016 4.325 4.340 0.002 0.000 0.228 76 R C 1.661 178.032 176.300 0.118 0.000 1.110 76 R CA 0.963 57.090 56.100 0.047 0.000 0.973 76 R CB 0.245 30.571 30.300 0.044 0.000 0.869 76 R HN -0.080 nan 8.270 nan 0.000 0.440 77 R N -0.101 120.527 120.500 0.213 0.000 2.310 77 R HA 0.008 4.349 4.340 0.002 0.000 0.202 77 R C -0.082 176.393 176.300 0.292 0.000 0.933 77 R CA -0.091 56.165 56.100 0.260 0.000 1.054 77 R CB -0.624 29.907 30.300 0.386 0.000 0.985 77 R HN 0.247 nan 8.270 nan 0.000 0.489 78 F N -0.182 119.814 119.950 0.077 0.000 2.985 78 F HA -0.276 4.252 4.527 0.002 0.000 0.303 78 F C -0.016 175.816 175.800 0.052 0.000 0.976 78 F CA -0.773 57.243 58.000 0.027 0.000 1.013 78 F CB -1.985 37.015 39.000 -0.001 0.000 1.060 78 F HN 0.020 nan 8.300 nan 0.000 0.780 79 F N 0.331 120.314 119.950 0.055 0.000 2.234 79 F HA 0.049 4.577 4.527 0.002 0.000 0.296 79 F C 1.239 177.078 175.800 0.066 0.000 1.089 79 F CA 2.018 60.056 58.000 0.063 0.000 1.343 79 F CB -0.003 39.038 39.000 0.068 0.000 1.040 79 F HN 0.333 nan 8.300 nan 0.000 0.498 80 Y N -2.965 117.384 120.300 0.082 0.000 2.741 80 Y HA 0.587 5.139 4.550 0.002 0.000 0.339 80 Y C -1.715 174.288 175.900 0.171 0.000 1.226 80 Y CA -1.926 56.093 58.100 -0.135 0.000 1.072 80 Y CB 0.843 38.994 38.460 -0.516 0.000 1.331 80 Y HN -0.227 nan 8.280 nan 0.000 0.453 81 D N -0.442 120.061 120.400 0.171 0.000 2.779 81 D HA 0.205 4.846 4.640 0.002 0.000 0.331 81 D C -1.709 174.784 176.300 0.322 0.000 1.331 81 D CA -0.600 53.476 54.000 0.126 0.000 0.866 81 D CB 1.938 42.824 40.800 0.143 0.000 1.409 81 D HN 0.756 nan 8.370 nan 0.000 0.486 82 Q N 0.478 120.379 119.800 0.168 0.000 2.297 82 Q HA 0.565 4.906 4.340 0.002 0.000 0.267 82 Q C -0.353 175.627 176.000 -0.033 0.000 1.006 82 Q CA -0.339 55.462 55.803 -0.004 0.000 0.896 82 Q CB 1.182 29.904 28.738 -0.027 0.000 1.186 82 Q HN 0.412 nan 8.270 nan 0.000 0.392 83 A N 2.894 125.644 122.820 -0.117 0.000 2.498 83 A HA 0.194 4.515 4.320 0.002 0.000 0.239 83 A C -0.370 177.174 177.584 -0.066 0.000 1.068 83 A CA -0.222 51.677 52.037 -0.229 0.000 0.766 83 A CB -0.348 18.504 19.000 -0.248 0.000 1.003 83 A HN 0.822 nan 8.150 nan 0.000 0.497 84 F N -0.435 119.520 119.950 0.008 0.000 2.866 84 F HA -0.290 4.238 4.527 0.002 0.000 0.254 84 F C 1.540 177.388 175.800 0.080 0.000 1.009 84 F CA 0.441 58.446 58.000 0.008 0.000 0.907 84 F CB -1.979 36.979 39.000 -0.070 0.000 0.859 84 F HN 0.773 nan 8.300 nan 0.000 0.842 85 A N 1.803 124.717 122.820 0.157 0.000 1.858 85 A HA -0.125 4.196 4.320 0.002 0.000 0.216 85 A C 1.935 179.618 177.584 0.166 0.000 1.190 85 A CA 1.577 53.688 52.037 0.123 0.000 0.617 85 A CB -0.540 18.488 19.000 0.045 0.000 0.827 85 A HN 0.878 nan 8.150 nan 0.000 0.443 86 I N -4.746 115.949 120.570 0.207 0.000 3.493 86 I HA 0.059 4.230 4.170 0.002 0.000 0.311 86 I C 0.329 176.536 176.117 0.149 0.000 1.210 86 I CA 0.912 62.307 61.300 0.160 0.000 1.210 86 I CB -0.458 37.622 38.000 0.133 0.000 0.993 86 I HN 0.269 nan 8.210 nan 0.000 0.539 87 Y N 0.809 121.152 120.300 0.072 0.000 2.825 87 Y HA 0.398 4.949 4.550 0.002 0.000 0.259 87 Y C 1.596 177.521 175.900 0.043 0.000 1.113 87 Y CA -0.107 58.028 58.100 0.058 0.000 1.241 87 Y CB 0.983 39.487 38.460 0.074 0.000 1.331 87 Y HN 0.313 nan 8.280 nan 0.000 0.570 88 G N -0.150 108.746 108.800 0.161 0.000 2.268 88 G HA2 -0.029 3.932 3.960 0.002 0.000 0.240 88 G HA3 -0.029 3.932 3.960 0.002 0.000 0.240 88 G C 0.794 175.760 174.900 0.110 0.000 1.010 88 G CA 0.196 45.357 45.100 0.102 0.000 0.618 88 G HN 1.261 nan 8.290 nan 0.000 0.516 89 G N -1.861 107.041 108.800 0.170 0.000 2.785 89 G HA2 0.233 4.195 3.960 0.002 0.000 0.685 89 G HA3 0.233 4.195 3.960 0.002 0.000 0.685 89 G C -0.290 174.672 174.900 0.104 0.000 1.480 89 G CA 0.068 45.269 45.100 0.169 0.000 0.915 89 G HN 1.528 nan 8.290 nan 0.000 0.576 90 V N 1.474 121.462 119.914 0.124 0.000 2.547 90 V HA 0.667 4.788 4.120 0.002 0.000 0.299 90 V C 1.033 177.138 176.094 0.018 0.000 1.040 90 V CA 0.039 62.376 62.300 0.062 0.000 0.913 90 V CB 1.783 33.645 31.823 0.064 0.000 0.992 90 V HN 1.568 nan 8.190 nan 0.000 0.449 91 S N 2.662 118.380 115.700 0.030 0.000 2.562 91 S HA 0.480 4.951 4.470 0.002 0.000 0.281 91 S C 1.212 175.864 174.600 0.087 0.000 1.333 91 S CA 0.220 58.443 58.200 0.038 0.000 1.052 91 S CB 0.928 64.171 63.200 0.071 0.000 0.884 91 S HN 2.081 nan 8.310 nan 0.000 0.506 92 G N 1.462 110.341 108.800 0.132 0.000 2.184 92 G HA2 -0.214 3.747 3.960 0.002 0.000 0.264 92 G HA3 -0.214 3.747 3.960 0.002 0.000 0.264 92 G C -0.187 174.877 174.900 0.273 0.000 0.975 92 G CA 0.289 45.551 45.100 0.270 0.000 0.642 92 G HN 0.748 nan 8.290 nan 0.000 0.536 93 L N -0.417 120.831 121.223 0.043 0.000 2.356 93 L HA 0.772 5.113 4.340 0.002 0.000 0.277 93 L C -0.437 176.310 176.870 -0.206 0.000 0.996 93 L CA -1.212 53.684 54.840 0.093 0.000 0.822 93 L CB 1.577 43.749 42.059 0.189 0.000 1.256 93 L HN 0.082 nan 8.230 nan 0.000 0.413 94 Y N 0.217 120.575 120.300 0.097 0.000 2.615 94 Y HA 0.470 5.021 4.550 0.002 0.000 0.341 94 Y C -0.537 175.356 175.900 -0.011 0.000 1.089 94 Y CA -1.134 56.993 58.100 0.046 0.000 1.049 94 Y CB 1.896 40.373 38.460 0.029 0.000 1.296 94 Y HN 0.420 nan 8.280 nan 0.000 0.470 95 D N 0.910 121.385 120.400 0.124 0.000 2.350 95 D HA 0.350 4.991 4.640 0.002 0.000 0.245 95 D C -1.375 174.896 176.300 -0.048 0.000 1.036 95 D CA -0.317 53.733 54.000 0.083 0.000 0.848 95 D CB 1.834 42.686 40.800 0.087 0.000 1.307 95 D HN 0.218 nan 8.370 nan 0.000 0.469 96 F N 0.935 120.883 119.950 -0.002 0.000 2.391 96 F HA 0.386 4.914 4.527 0.002 0.000 0.359 96 F C 1.341 176.863 175.800 -0.463 0.000 1.122 96 F CA -0.466 57.460 58.000 -0.124 0.000 1.120 96 F CB 1.382 40.346 39.000 -0.060 0.000 1.142 96 F HN 0.197 nan 8.300 nan 0.000 0.483 97 G N 3.804 112.047 108.800 -0.928 0.000 2.580 97 G HA2 0.289 4.250 3.960 0.002 0.000 0.278 97 G HA3 0.289 4.250 3.960 0.002 0.000 0.278 97 G C -1.885 172.690 174.900 -0.541 0.000 1.212 97 G CA -1.311 42.870 45.100 -1.531 0.000 0.939 97 G HN 0.371 nan 8.290 nan 0.000 0.513 98 P HA -0.231 nan 4.420 nan 0.000 0.210 98 P C 2.319 179.511 177.300 -0.180 0.000 1.151 98 P CA 2.823 65.832 63.100 -0.152 0.000 0.949 98 P CB -0.231 31.436 31.700 -0.054 0.000 0.786 99 V N -2.806 116.948 119.914 -0.266 0.000 2.392 99 V HA -0.190 3.931 4.120 0.002 0.000 0.249 99 V C 2.235 178.081 176.094 -0.414 0.000 1.059 99 V CA 2.426 64.475 62.300 -0.419 0.000 1.051 99 V CB -2.275 29.057 31.823 -0.817 0.000 0.658 99 V HN 0.198 nan 8.190 nan 0.000 0.455 100 G N -0.776 107.842 108.800 -0.302 0.000 2.459 100 G HA2 -0.257 3.704 3.960 0.002 0.000 0.217 100 G HA3 -0.257 3.704 3.960 0.002 0.000 0.217 100 G C 1.650 176.583 174.900 0.056 0.000 1.183 100 G CA 1.433 46.594 45.100 0.103 0.000 0.776 100 G HN 0.587 nan 8.290 nan 0.000 0.552 101 C N 0.951 120.234 119.300 -0.028 0.000 2.413 101 C HA 0.072 4.533 4.460 0.002 0.000 0.277 101 C C 3.567 178.501 174.990 -0.094 0.000 1.228 101 C CA 1.083 60.054 59.018 -0.079 0.000 1.731 101 C CB -1.122 26.572 27.740 -0.077 0.000 2.042 101 C HN 0.596 nan 8.230 nan 0.000 0.468 102 A N 0.114 122.882 122.820 -0.087 0.000 1.903 102 A HA -0.236 4.086 4.320 0.002 0.000 0.219 102 A C 2.065 179.594 177.584 -0.092 0.000 1.191 102 A CA 2.274 54.270 52.037 -0.069 0.000 0.638 102 A CB -0.777 18.199 19.000 -0.040 0.000 0.823 102 A HN 0.568 nan 8.150 nan 0.000 0.451 103 L N -0.518 120.632 121.223 -0.122 0.000 2.109 103 L HA -0.025 4.316 4.340 0.002 0.000 0.207 103 L C 2.229 178.993 176.870 -0.176 0.000 1.086 103 L CA 2.534 57.268 54.840 -0.177 0.000 0.760 103 L CB -0.424 41.522 42.059 -0.188 0.000 0.910 103 L HN 0.429 nan 8.230 nan 0.000 0.437 104 K N -0.754 119.554 120.400 -0.154 0.000 2.211 104 K HA -0.102 4.219 4.320 0.002 0.000 0.203 104 K C 1.394 177.889 176.600 -0.174 0.000 1.050 104 K CA 1.262 57.421 56.287 -0.213 0.000 0.945 104 K CB 0.019 32.321 32.500 -0.329 0.000 0.732 104 K HN 0.439 nan 8.250 nan 0.000 0.451 105 N N 0.414 119.035 118.700 -0.131 0.000 2.422 105 N HA -0.048 4.693 4.740 0.002 0.000 0.181 105 N C 0.753 176.232 175.510 -0.052 0.000 1.080 105 N CA 0.603 53.599 53.050 -0.090 0.000 0.893 105 N CB 0.000 38.443 38.487 -0.073 0.000 0.973 105 N HN 0.335 nan 8.380 nan 0.000 0.456 106 N N 0.474 119.135 118.700 -0.064 0.000 2.376 106 N HA 0.167 4.908 4.740 0.002 0.000 0.177 106 N C 1.496 177.002 175.510 -0.007 0.000 1.024 106 N CA 0.194 53.222 53.050 -0.037 0.000 0.893 106 N CB 0.396 38.841 38.487 -0.071 0.000 0.980 106 N HN 0.129 nan 8.380 nan 0.000 0.439 107 I N 0.816 121.367 120.570 -0.033 0.000 2.400 107 I HA -0.115 4.056 4.170 0.002 0.000 0.248 107 I C 1.726 177.934 176.117 0.151 0.000 1.109 107 I CA 0.816 62.141 61.300 0.042 0.000 1.425 107 I CB -0.015 37.951 38.000 -0.057 0.000 1.094 107 I HN 0.080 nan 8.210 nan 0.000 0.425 108 I N 0.349 120.939 120.570 0.034 0.000 2.676 108 I HA -0.228 3.943 4.170 0.002 0.000 0.259 108 I C 2.454 178.654 176.117 0.138 0.000 1.194 108 I CA 0.835 62.153 61.300 0.031 0.000 1.473 108 I CB -0.266 37.686 38.000 -0.079 0.000 1.096 108 I HN 0.273 nan 8.210 nan 0.000 0.443 109 Q N 0.861 120.725 119.800 0.107 0.000 2.089 109 Q HA -0.084 4.258 4.340 0.002 0.000 0.195 109 Q C 2.214 178.302 176.000 0.147 0.000 0.963 109 Q CA 1.818 57.683 55.803 0.104 0.000 0.834 109 Q CB -0.339 28.434 28.738 0.057 0.000 0.906 109 Q HN 0.279 nan 8.270 nan 0.000 0.452 110 T N -0.156 114.507 114.554 0.181 0.000 2.833 110 T HA -0.155 4.196 4.350 0.002 0.000 0.269 110 T C 0.993 175.878 174.700 0.308 0.000 1.054 110 T CA 1.229 63.464 62.100 0.225 0.000 1.135 110 T CB -0.427 68.580 68.868 0.232 0.000 0.869 110 T HN 0.486 nan 8.240 nan 0.000 0.466 111 W N 1.997 123.375 121.300 0.131 0.000 2.379 111 W HA -0.038 4.623 4.660 0.002 0.000 0.307 111 W C 2.400 178.897 176.519 -0.036 0.000 1.200 111 W CA 0.829 58.081 57.345 -0.155 0.000 1.297 111 W CB -0.207 29.044 29.460 -0.348 0.000 1.140 111 W HN 0.029 nan 8.180 nan 0.000 0.507 112 R N -0.204 120.416 120.500 0.199 0.000 2.117 112 R HA -0.250 4.091 4.340 0.002 0.000 0.243 112 R C 2.334 178.575 176.300 -0.099 0.000 1.143 112 R CA 1.899 58.025 56.100 0.043 0.000 0.968 112 R CB -0.460 29.913 30.300 0.122 0.000 0.863 112 R HN 0.269 nan 8.270 nan 0.000 0.444 113 Q N -0.427 119.346 119.800 -0.044 0.000 1.941 113 Q HA -0.186 4.155 4.340 0.002 0.000 0.201 113 Q C 2.035 177.931 176.000 -0.173 0.000 0.982 113 Q CA 1.636 57.401 55.803 -0.064 0.000 0.839 113 Q CB -0.917 27.822 28.738 0.002 0.000 0.904 113 Q HN 0.483 nan 8.270 nan 0.000 0.427 114 H N -0.707 118.170 119.070 -0.322 0.000 2.472 114 H HA -0.171 4.386 4.556 0.002 0.000 0.296 114 H C 0.844 175.555 175.328 -1.027 0.000 1.120 114 H CA 1.901 57.587 56.048 -0.603 0.000 1.250 114 H CB 0.067 29.459 29.762 -0.616 0.000 1.366 114 H HN 0.145 nan 8.280 nan 0.000 0.524 115 F N -2.237 117.347 119.950 -0.610 0.000 2.199 115 F HA 0.176 4.704 4.527 0.002 0.000 0.244 115 F C 2.145 177.682 175.800 -0.438 0.000 1.027 115 F CA -0.061 57.538 58.000 -0.669 0.000 1.207 115 F CB -0.468 37.750 39.000 -1.303 0.000 1.500 115 F HN -0.120 nan 8.300 nan 0.000 0.622 116 I N 0.559 120.961 120.570 -0.281 0.000 2.145 116 I HA -0.347 3.824 4.170 0.002 0.000 0.244 116 I C 2.432 178.511 176.117 -0.063 0.000 1.075 116 I CA 1.723 62.953 61.300 -0.118 0.000 1.332 116 I CB -0.358 37.602 38.000 -0.068 0.000 1.033 116 I HN 0.309 nan 8.210 nan 0.000 0.410 117 Q N 1.012 120.759 119.800 -0.088 0.000 1.990 117 Q HA -0.245 4.096 4.340 0.002 0.000 0.200 117 Q C 1.979 177.945 176.000 -0.056 0.000 0.980 117 Q CA 1.786 57.556 55.803 -0.055 0.000 0.832 117 Q CB -0.235 28.470 28.738 -0.055 0.000 0.897 117 Q HN 0.322 nan 8.270 nan 0.000 0.427 118 E N -0.193 119.941 120.200 -0.111 0.000 2.463 118 E HA -0.139 4.212 4.350 0.002 0.000 0.201 118 E C 0.154 176.741 176.600 -0.023 0.000 1.045 118 E CA 0.914 57.251 56.400 -0.105 0.000 0.872 118 E CB 0.179 29.738 29.700 -0.235 0.000 0.797 118 E HN 0.317 nan 8.360 nan 0.000 0.538 119 E N -0.111 120.098 120.200 0.015 0.000 2.759 119 E HA 0.042 4.393 4.350 0.002 0.000 0.220 119 E C -0.376 176.286 176.600 0.103 0.000 0.974 119 E CA -0.100 56.367 56.400 0.111 0.000 1.148 119 E CB 0.630 30.459 29.700 0.215 0.000 1.059 119 E HN 0.113 nan 8.360 nan 0.000 0.493 120 Q N 0.143 119.979 119.800 0.061 0.000 2.434 120 Q HA -0.206 4.135 4.340 0.002 0.000 0.299 120 Q C 0.146 176.198 176.000 0.088 0.000 1.286 120 Q CA 0.840 56.682 55.803 0.066 0.000 0.872 120 Q CB -2.635 26.147 28.738 0.073 0.000 1.193 120 Q HN 0.501 nan 8.270 nan 0.000 0.466 121 I N 0.899 121.513 120.570 0.074 0.000 2.471 121 I HA 0.049 4.220 4.170 0.002 0.000 0.286 121 I C 1.174 177.326 176.117 0.058 0.000 1.079 121 I CA -0.424 60.924 61.300 0.080 0.000 1.398 121 I CB 0.367 38.403 38.000 0.059 0.000 1.403 121 I HN 0.107 nan 8.210 nan 0.000 0.530 122 L N 6.595 127.859 121.223 0.068 0.000 2.456 122 L HA 0.159 4.500 4.340 0.002 0.000 0.272 122 L C 0.476 177.335 176.870 -0.018 0.000 1.189 122 L CA 0.409 55.252 54.840 0.004 0.000 0.846 122 L CB 0.274 42.318 42.059 -0.024 0.000 1.111 122 L HN 0.653 nan 8.230 nan 0.000 0.475 123 E N 4.683 124.852 120.200 -0.051 0.000 2.222 123 E HA 0.639 4.990 4.350 0.002 0.000 0.267 123 E C -1.234 175.321 176.600 -0.075 0.000 0.884 123 E CA -0.704 55.673 56.400 -0.039 0.000 0.764 123 E CB 1.810 31.506 29.700 -0.007 0.000 1.169 123 E HN 0.545 nan 8.360 nan 0.000 0.413 124 I N -0.094 120.436 120.570 -0.067 0.000 3.042 124 I HA 0.661 4.832 4.170 0.002 0.000 0.310 124 I C -1.262 174.820 176.117 -0.058 0.000 1.117 124 I CA -1.029 60.227 61.300 -0.074 0.000 1.003 124 I CB 2.417 40.366 38.000 -0.085 0.000 1.228 124 I HN 0.364 nan 8.210 nan 0.000 0.443 125 D N 2.937 123.306 120.400 -0.052 0.000 2.389 125 D HA 0.471 5.112 4.640 0.002 0.000 0.256 125 D C -0.801 175.473 176.300 -0.043 0.000 1.239 125 D CA -0.038 53.934 54.000 -0.047 0.000 0.925 125 D CB 1.179 41.956 40.800 -0.038 0.000 1.145 125 D HN 0.761 nan 8.370 nan 0.000 0.542 126 C N 1.200 120.471 119.300 -0.048 0.000 2.411 126 C HA 0.669 5.130 4.460 0.002 0.000 0.358 126 C C 1.118 176.090 174.990 -0.030 0.000 1.349 126 C CA -0.643 58.351 59.018 -0.041 0.000 2.326 126 C CB 0.687 28.396 27.740 -0.050 0.000 2.166 126 C HN 0.696 nan 8.230 nan 0.000 0.609 127 T N -0.765 113.775 114.554 -0.024 0.000 2.788 127 T HA 0.302 4.653 4.350 0.002 0.000 0.287 127 T C 0.528 175.224 174.700 -0.006 0.000 1.007 127 T CA -0.265 61.825 62.100 -0.016 0.000 1.005 127 T CB 0.464 69.320 68.868 -0.019 0.000 1.012 127 T HN 0.599 nan 8.240 nan 0.000 0.530 128 M N -0.210 119.393 119.600 0.005 0.000 2.615 128 M HA 0.288 4.769 4.480 0.002 0.000 0.262 128 M C 0.126 176.418 176.300 -0.014 0.000 1.198 128 M CA 0.331 55.654 55.300 0.039 0.000 1.165 128 M CB 0.186 32.858 32.600 0.119 0.000 1.310 128 M HN 0.423 nan 8.290 nan 0.000 0.494 129 L N 1.601 122.794 121.223 -0.049 0.000 2.385 129 L HA 0.172 4.513 4.340 0.002 0.000 0.281 129 L C -0.396 176.449 176.870 -0.041 0.000 1.106 129 L CA -0.067 54.730 54.840 -0.072 0.000 0.856 129 L CB 0.342 42.353 42.059 -0.080 0.000 1.186 129 L HN 0.015 nan 8.230 nan 0.000 0.453 130 T N 4.680 119.219 114.554 -0.026 0.000 2.823 130 T HA 0.428 4.779 4.350 0.002 0.000 0.279 130 T C -2.488 172.186 174.700 -0.043 0.000 0.998 130 T CA -1.298 60.798 62.100 -0.006 0.000 0.994 130 T CB 1.832 70.724 68.868 0.041 0.000 0.960 130 T HN 0.347 nan 8.240 nan 0.000 0.448 131 P HA 0.283 nan 4.420 nan 0.000 0.286 131 P C 0.704 177.961 177.300 -0.072 0.000 1.269 131 P CA -0.273 62.776 63.100 -0.086 0.000 0.787 131 P CB 1.533 33.205 31.700 -0.047 0.000 0.920 132 E N 4.996 125.084 120.200 -0.187 0.000 2.464 132 E HA -0.270 4.081 4.350 0.002 0.000 0.250 132 E C -1.000 175.631 176.600 0.051 0.000 1.063 132 E CA 3.505 59.828 56.400 -0.128 0.000 1.155 132 E CB -1.988 27.631 29.700 -0.136 0.000 1.041 132 E HN 0.412 nan 8.360 nan 0.000 0.495 133 P HA -0.233 nan 4.420 nan 0.000 0.217 133 P C 1.514 178.876 177.300 0.104 0.000 1.162 133 P CA 2.247 65.386 63.100 0.066 0.000 0.901 133 P CB -0.079 31.651 31.700 0.049 0.000 0.793 134 V N -0.941 119.044 119.914 0.119 0.000 2.278 134 V HA -0.251 3.870 4.120 0.002 0.000 0.251 134 V C 2.379 178.598 176.094 0.208 0.000 1.062 134 V CA 1.855 64.270 62.300 0.190 0.000 1.038 134 V CB -1.280 30.621 31.823 0.131 0.000 0.646 134 V HN 0.117 nan 8.190 nan 0.000 0.447 135 L N -0.661 120.670 121.223 0.181 0.000 2.418 135 L HA -0.032 4.309 4.340 0.002 0.000 0.218 135 L C 2.392 179.377 176.870 0.191 0.000 1.125 135 L CA 0.736 55.685 54.840 0.182 0.000 0.835 135 L CB -0.291 41.915 42.059 0.245 0.000 0.953 135 L HN 0.273 nan 8.230 nan 0.000 0.454 136 K N 0.049 120.546 120.400 0.162 0.000 2.076 136 K HA -0.063 4.258 4.320 0.002 0.000 0.204 136 K C 1.918 178.552 176.600 0.058 0.000 1.051 136 K CA 1.601 57.957 56.287 0.115 0.000 0.949 136 K CB -0.360 32.200 32.500 0.100 0.000 0.726 136 K HN 0.006 nan 8.250 nan 0.000 0.443 137 T N 0.282 114.844 114.554 0.013 0.000 2.788 137 T HA -0.131 4.220 4.350 0.002 0.000 0.268 137 T C 1.726 176.299 174.700 -0.210 0.000 1.044 137 T CA 1.664 63.688 62.100 -0.127 0.000 1.139 137 T CB -0.436 68.304 68.868 -0.214 0.000 0.867 137 T HN 0.495 nan 8.240 nan 0.000 0.454 138 S N 0.520 116.178 115.700 -0.070 0.000 2.522 138 S HA 0.275 4.746 4.470 0.002 0.000 0.227 138 S C 1.831 176.669 174.600 0.396 0.000 0.986 138 S CA 0.596 58.863 58.200 0.112 0.000 0.929 138 S CB -0.459 62.927 63.200 0.310 0.000 0.769 138 S HN 0.755 nan 8.310 nan 0.000 0.529 139 G N 0.605 109.537 108.800 0.221 0.000 2.147 139 G HA2 -0.280 3.681 3.960 0.002 0.000 0.244 139 G HA3 -0.280 3.681 3.960 0.002 0.000 0.244 139 G C 0.280 175.082 174.900 -0.163 0.000 1.005 139 G CA 0.595 45.761 45.100 0.111 0.000 0.713 139 G HN 0.629 nan 8.290 nan 0.000 0.515 140 H N -0.711 118.316 119.070 -0.072 0.000 2.415 140 H HA 0.213 4.770 4.556 0.002 0.000 0.297 140 H C 2.682 177.958 175.328 -0.087 0.000 1.048 140 H CA 1.405 57.395 56.048 -0.097 0.000 1.365 140 H CB 0.100 29.875 29.762 0.023 0.000 1.421 140 H HN 0.314 nan 8.280 nan 0.000 0.533 141 V N 0.909 120.851 119.914 0.047 0.000 2.688 141 V HA -0.205 3.916 4.120 0.002 0.000 0.256 141 V C 1.170 177.232 176.094 -0.052 0.000 1.084 141 V CA 1.744 64.025 62.300 -0.031 0.000 1.103 141 V CB -0.257 31.616 31.823 0.084 0.000 0.688 141 V HN 0.433 nan 8.190 nan 0.000 0.480 142 D N 0.177 120.533 120.400 -0.075 0.000 2.634 142 D HA 0.037 4.679 4.640 0.002 0.000 0.262 142 D C 1.963 178.174 176.300 -0.148 0.000 1.354 142 D CA 0.563 54.508 54.000 -0.092 0.000 1.028 142 D CB -0.297 40.462 40.800 -0.070 0.000 1.061 142 D HN 0.200 nan 8.370 nan 0.000 0.387 143 K N -0.092 120.160 120.400 -0.247 0.000 2.555 143 K HA 0.069 4.390 4.320 0.002 0.000 0.193 143 K C 0.100 176.586 176.600 -0.189 0.000 1.032 143 K CA -0.088 56.055 56.287 -0.241 0.000 1.004 143 K CB -0.220 32.134 32.500 -0.242 0.000 0.804 143 K HN 0.014 nan 8.250 nan 0.000 0.496 144 F N 1.314 121.032 119.950 -0.386 0.000 2.377 144 F HA 0.478 5.006 4.527 0.002 0.000 0.360 144 F C -0.138 175.506 175.800 -0.260 0.000 1.147 144 F CA -1.234 56.600 58.000 -0.277 0.000 1.170 144 F CB -0.280 38.584 39.000 -0.226 0.000 1.339 144 F HN -0.013 nan 8.300 nan 0.000 0.552 145 A N 3.858 126.338 122.820 -0.566 0.000 2.544 145 A HA 0.542 4.863 4.320 0.002 0.000 0.291 145 A C -1.805 175.447 177.584 -0.553 0.000 1.055 145 A CA -0.918 50.753 52.037 -0.609 0.000 0.651 145 A CB 0.948 19.690 19.000 -0.430 0.000 1.296 145 A HN 0.347 nan 8.150 nan 0.000 0.431 146 D N -0.205 119.923 120.400 -0.454 0.000 2.340 146 D HA 0.626 5.267 4.640 0.002 0.000 0.240 146 D C -1.075 175.073 176.300 -0.255 0.000 1.001 146 D CA 0.031 53.804 54.000 -0.377 0.000 0.888 146 D CB 1.128 41.784 40.800 -0.240 0.000 1.310 146 D HN 0.339 nan 8.370 nan 0.000 0.474 147 F N 1.667 121.571 119.950 -0.077 0.000 2.444 147 F HA 0.232 4.760 4.527 0.002 0.000 0.360 147 F C 0.874 176.631 175.800 -0.071 0.000 1.106 147 F CA -0.381 57.575 58.000 -0.073 0.000 1.170 147 F CB 0.711 39.661 39.000 -0.083 0.000 1.113 147 F HN -0.036 nan 8.300 nan 0.000 0.521 148 M N 6.414 126.102 119.600 0.147 0.000 2.456 148 M HA 0.713 5.194 4.480 0.002 0.000 0.324 148 M C -1.424 174.865 176.300 -0.018 0.000 1.124 148 M CA -0.736 54.595 55.300 0.052 0.000 0.959 148 M CB 1.777 34.388 32.600 0.019 0.000 1.692 148 M HN 0.399 nan 8.290 nan 0.000 0.444 149 V N 1.573 121.490 119.914 0.005 0.000 3.126 149 V HA 0.854 4.975 4.120 0.002 0.000 0.314 149 V C -1.566 174.593 176.094 0.108 0.000 1.138 149 V CA -0.794 61.502 62.300 -0.006 0.000 1.034 149 V CB 2.048 33.834 31.823 -0.062 0.000 1.075 149 V HN 0.999 nan 8.190 nan 0.000 0.442 150 K N 0.559 121.021 120.400 0.104 0.000 2.561 150 K HA 0.363 4.684 4.320 0.002 0.000 0.254 150 K C -1.432 175.246 176.600 0.130 0.000 0.942 150 K CA -0.577 55.783 56.287 0.123 0.000 0.818 150 K CB 1.943 34.431 32.500 -0.021 0.000 1.306 150 K HN 0.913 nan 8.250 nan 0.000 0.435 151 D N 2.598 123.120 120.400 0.204 0.000 2.493 151 D HA -0.046 4.595 4.640 0.002 0.000 0.240 151 D C 0.830 177.175 176.300 0.076 0.000 1.142 151 D CA -0.343 53.742 54.000 0.142 0.000 0.872 151 D CB 1.209 42.112 40.800 0.171 0.000 1.173 151 D HN 0.310 nan 8.370 nan 0.000 0.467 152 V N 1.996 121.942 119.914 0.053 0.000 3.504 152 V HA -0.176 3.945 4.120 0.002 0.000 0.273 152 V C 1.722 177.831 176.094 0.026 0.000 1.228 152 V CA 0.921 63.239 62.300 0.029 0.000 1.189 152 V CB -1.101 30.736 31.823 0.023 0.000 0.881 152 V HN 0.465 nan 8.190 nan 0.000 0.529 153 K N 1.704 122.125 120.400 0.036 0.000 2.878 153 K HA 0.170 4.491 4.320 0.002 0.000 0.204 153 K C 0.736 177.348 176.600 0.020 0.000 1.093 153 K CA 0.388 56.692 56.287 0.029 0.000 1.250 153 K CB -0.432 32.091 32.500 0.039 0.000 1.692 153 K HN 0.676 nan 8.250 nan 0.000 0.470 154 N N -0.306 118.409 118.700 0.025 0.000 2.493 154 N HA 0.234 4.975 4.740 0.002 0.000 0.275 154 N C 0.409 175.915 175.510 -0.006 0.000 1.186 154 N CA -0.454 52.601 53.050 0.008 0.000 0.978 154 N CB 0.792 39.286 38.487 0.012 0.000 1.184 154 N HN 0.174 nan 8.380 nan 0.000 0.487 155 G N 0.399 109.180 108.800 -0.032 0.000 3.090 155 G HA2 -0.038 3.923 3.960 0.002 0.000 0.259 155 G HA3 -0.038 3.923 3.960 0.002 0.000 0.259 155 G C -0.211 174.623 174.900 -0.109 0.000 0.797 155 G CA -0.151 44.910 45.100 -0.063 0.000 2.032 155 G HN 0.541 nan 8.290 nan 0.000 0.614 156 E N 0.259 120.392 120.200 -0.111 0.000 2.174 156 E HA 0.281 4.632 4.350 0.002 0.000 0.282 156 E C -0.284 176.042 176.600 -0.456 0.000 0.992 156 E CA -0.308 55.937 56.400 -0.260 0.000 0.803 156 E CB 1.440 31.052 29.700 -0.146 0.000 1.090 156 E HN 0.234 nan 8.360 nan 0.000 0.396 157 C N 3.405 122.325 119.300 -0.633 0.000 2.358 157 C HA 0.697 5.158 4.460 0.002 0.000 0.354 157 C C -0.396 174.017 174.990 -0.960 0.000 1.183 157 C CA -0.506 58.166 59.018 -0.577 0.000 2.150 157 C CB -0.111 27.405 27.740 -0.373 0.000 2.361 157 C HN 0.605 nan 8.230 nan 0.000 0.535 158 F N -0.092 119.854 119.950 -0.007 0.000 2.665 158 F HA 0.432 4.960 4.527 0.002 0.000 0.308 158 F C -0.064 175.750 175.800 0.024 0.000 1.112 158 F CA -0.776 57.246 58.000 0.036 0.000 0.972 158 F CB 1.044 40.092 39.000 0.080 0.000 1.295 158 F HN 0.442 nan 8.300 nan 0.000 0.440 159 R N 1.923 122.541 120.500 0.197 0.000 2.272 159 R HA 0.552 4.893 4.340 0.002 0.000 0.334 159 R C 0.925 177.293 176.300 0.114 0.000 1.117 159 R CA 0.425 56.553 56.100 0.046 0.000 0.966 159 R CB 0.752 30.937 30.300 -0.191 0.000 1.049 159 R HN 0.939 nan 8.270 nan 0.000 0.477 160 A N 4.234 127.142 122.820 0.146 0.000 1.870 160 A HA -0.343 3.978 4.320 0.002 0.000 0.219 160 A C 1.739 179.521 177.584 0.331 0.000 1.224 160 A CA 2.264 54.441 52.037 0.234 0.000 0.650 160 A CB -0.898 18.057 19.000 -0.076 0.000 0.836 160 A HN 0.979 nan 8.150 nan 0.000 0.454 161 D N -1.459 119.073 120.400 0.219 0.000 2.339 161 D HA -0.267 4.374 4.640 0.002 0.000 0.189 161 D C 1.592 178.091 176.300 0.331 0.000 1.022 161 D CA 2.494 56.633 54.000 0.232 0.000 0.884 161 D CB -0.326 40.518 40.800 0.074 0.000 0.916 161 D HN 0.829 nan 8.370 nan 0.000 0.453 162 H N -1.217 117.957 119.070 0.173 0.000 2.399 162 H HA 0.160 4.717 4.556 0.002 0.000 0.300 162 H C 2.313 177.713 175.328 0.119 0.000 1.048 162 H CA 0.059 56.186 56.048 0.131 0.000 1.370 162 H CB 0.205 30.041 29.762 0.124 0.000 1.428 162 H HN 0.091 nan 8.280 nan 0.000 0.534 163 L N 1.262 122.652 121.223 0.277 0.000 2.013 163 L HA -0.214 4.127 4.340 0.002 0.000 0.212 163 L C 2.502 179.396 176.870 0.040 0.000 1.073 163 L CA 0.894 55.823 54.840 0.149 0.000 0.753 163 L CB -0.228 41.931 42.059 0.165 0.000 0.890 163 L HN 0.388 nan 8.230 nan 0.000 0.432 164 L N 0.254 121.485 121.223 0.013 0.000 2.079 164 L HA -0.290 4.051 4.340 0.002 0.000 0.210 164 L C 2.458 179.290 176.870 -0.062 0.000 1.081 164 L CA 2.028 56.752 54.840 -0.192 0.000 0.752 164 L CB -0.555 41.418 42.059 -0.144 0.000 0.896 164 L HN 0.348 nan 8.230 nan 0.000 0.433 165 K N -0.206 120.215 120.400 0.035 0.000 2.097 165 K HA -0.120 4.202 4.320 0.002 0.000 0.205 165 K C 2.050 178.661 176.600 0.018 0.000 1.050 165 K CA 1.251 57.554 56.287 0.027 0.000 0.938 165 K CB -0.043 32.494 32.500 0.061 0.000 0.718 165 K HN 0.424 nan 8.250 nan 0.000 0.442 166 A N 0.265 123.107 122.820 0.038 0.000 1.873 166 A HA -0.208 4.113 4.320 0.002 0.000 0.215 166 A C 1.945 179.532 177.584 0.005 0.000 1.186 166 A CA 1.875 53.924 52.037 0.020 0.000 0.616 166 A CB -0.967 18.051 19.000 0.029 0.000 0.823 166 A HN 0.587 nan 8.150 nan 0.000 0.442 167 H N 0.111 119.129 119.070 -0.087 0.000 2.251 167 H HA -0.116 4.441 4.556 0.002 0.000 0.294 167 H C 1.865 177.149 175.328 -0.074 0.000 1.078 167 H CA 2.272 58.264 56.048 -0.094 0.000 1.246 167 H CB -0.289 29.385 29.762 -0.146 0.000 1.358 167 H HN 0.325 nan 8.280 nan 0.000 0.488 168 L N 0.119 121.378 121.223 0.059 0.000 2.051 168 L HA -0.298 4.044 4.340 0.002 0.000 0.214 168 L C 2.614 179.467 176.870 -0.029 0.000 1.076 168 L CA 1.867 56.702 54.840 -0.008 0.000 0.758 168 L CB -0.748 41.251 42.059 -0.100 0.000 0.890 168 L HN 0.546 nan 8.230 nan 0.000 0.433 169 Q N -0.162 119.619 119.800 -0.033 0.000 2.124 169 Q HA -0.247 4.094 4.340 0.002 0.000 0.202 169 Q C 2.220 178.189 176.000 -0.051 0.000 0.977 169 Q CA 1.419 57.204 55.803 -0.030 0.000 0.850 169 Q CB -0.090 28.634 28.738 -0.023 0.000 0.901 169 Q HN 0.294 nan 8.270 nan 0.000 0.429 170 K N 0.824 121.169 120.400 -0.091 0.000 2.057 170 K HA -0.094 4.227 4.320 0.002 0.000 0.207 170 K C 1.877 178.411 176.600 -0.111 0.000 1.049 170 K CA 1.023 57.237 56.287 -0.121 0.000 0.931 170 K CB -0.139 32.239 32.500 -0.204 0.000 0.714 170 K HN 0.119 nan 8.250 nan 0.000 0.440 171 L N -0.249 120.903 121.223 -0.119 0.000 2.027 171 L HA -0.149 4.192 4.340 0.002 0.000 0.206 171 L C 2.326 179.188 176.870 -0.014 0.000 1.074 171 L CA 1.271 56.077 54.840 -0.056 0.000 0.745 171 L CB -0.411 41.655 42.059 0.012 0.000 0.898 171 L HN 0.226 nan 8.230 nan 0.000 0.433 172 M N -1.182 118.416 119.600 -0.004 0.000 2.374 172 M HA -0.153 4.328 4.480 0.002 0.000 0.264 172 M C 2.378 178.676 176.300 -0.004 0.000 1.067 172 M CA 1.215 56.520 55.300 0.007 0.000 1.103 172 M CB -0.311 32.297 32.600 0.012 0.000 1.402 172 M HN 0.155 nan 8.290 nan 0.000 0.444 173 S N -0.111 115.578 115.700 -0.018 0.000 2.446 173 S HA -0.058 4.413 4.470 0.002 0.000 0.225 173 S C 0.412 175.000 174.600 -0.021 0.000 1.016 173 S CA 0.147 58.335 58.200 -0.020 0.000 0.943 173 S CB -0.108 63.074 63.200 -0.029 0.000 0.786 173 S HN 0.394 nan 8.310 nan 0.000 0.508 174 D N 1.297 121.681 120.400 -0.026 0.000 2.383 174 D HA 0.139 4.780 4.640 0.002 0.000 0.252 174 D C 1.125 177.418 176.300 -0.013 0.000 1.166 174 D CA -0.086 53.900 54.000 -0.023 0.000 0.879 174 D CB 0.819 41.601 40.800 -0.030 0.000 1.164 174 D HN -0.073 nan 8.370 nan 0.000 0.462 175 K N 3.082 123.476 120.400 -0.011 0.000 2.286 175 K HA -0.160 4.161 4.320 0.002 0.000 0.203 175 K C 0.937 177.535 176.600 -0.004 0.000 1.045 175 K CA 0.905 57.189 56.287 -0.006 0.000 0.935 175 K CB -0.165 32.331 32.500 -0.006 0.000 0.737 175 K HN 0.541 nan 8.250 nan 0.000 0.460 176 K N 0.452 120.848 120.400 -0.006 0.000 2.632 176 K HA 0.003 4.324 4.320 0.002 0.000 0.196 176 K C 0.342 176.942 176.600 -0.000 0.000 1.023 176 K CA -0.152 56.133 56.287 -0.004 0.000 1.098 176 K CB -0.239 32.257 32.500 -0.007 0.000 0.862 176 K HN 0.027 nan 8.250 nan 0.000 0.504 177 C N 1.974 121.276 119.300 0.003 0.000 2.355 177 C HA 0.302 4.763 4.460 0.002 0.000 0.332 177 C C 0.583 175.580 174.990 0.011 0.000 1.255 177 C CA -0.856 58.167 59.018 0.009 0.000 1.792 177 C CB 0.480 28.229 27.740 0.015 0.000 2.300 177 C HN 0.523 nan 8.230 nan 0.000 0.515 178 S N 4.499 120.207 115.700 0.013 0.000 2.531 178 S HA 0.175 4.646 4.470 0.002 0.000 0.279 178 S C 1.137 175.748 174.600 0.018 0.000 1.305 178 S CA -0.077 58.130 58.200 0.013 0.000 1.058 178 S CB 1.067 64.274 63.200 0.011 0.000 0.899 178 S HN 1.557 nan 8.310 nan 0.000 0.493 179 V N 0.457 120.380 119.914 0.016 0.000 2.660 179 V HA -0.218 3.903 4.120 0.002 0.000 0.257 179 V C 1.864 177.973 176.094 0.024 0.000 1.088 179 V CA 1.917 64.228 62.300 0.020 0.000 1.106 179 V CB -1.320 30.513 31.823 0.017 0.000 0.686 179 V HN 0.914 nan 8.190 nan 0.000 0.481 180 E N 0.539 120.752 120.200 0.022 0.000 2.158 180 E HA -0.140 4.211 4.350 0.002 0.000 0.191 180 E C 2.191 178.811 176.600 0.033 0.000 0.982 180 E CA 1.168 57.583 56.400 0.025 0.000 0.823 180 E CB -0.099 29.612 29.700 0.019 0.000 0.766 180 E HN 0.720 nan 8.360 nan 0.000 0.468 181 K N 1.640 122.061 120.400 0.036 0.000 2.098 181 K HA -0.091 4.230 4.320 0.002 0.000 0.203 181 K C 2.161 178.801 176.600 0.067 0.000 1.051 181 K CA 0.679 56.997 56.287 0.053 0.000 0.957 181 K CB 0.151 32.680 32.500 0.048 0.000 0.738 181 K HN -0.141 nan 8.250 nan 0.000 0.447 182 K N 0.517 120.948 120.400 0.051 0.000 2.020 182 K HA -0.190 4.131 4.320 0.002 0.000 0.212 182 K C 2.159 178.789 176.600 0.050 0.000 1.050 182 K CA 2.002 58.318 56.287 0.048 0.000 0.929 182 K CB -0.365 32.155 32.500 0.034 0.000 0.714 182 K HN 0.077 nan 8.250 nan 0.000 0.443 183 S N 0.502 116.229 115.700 0.045 0.000 2.400 183 S HA -0.207 4.264 4.470 0.002 0.000 0.232 183 S C 1.896 176.529 174.600 0.054 0.000 1.025 183 S CA 1.817 60.044 58.200 0.045 0.000 0.993 183 S CB -0.284 62.939 63.200 0.038 0.000 0.808 183 S HN 0.520 nan 8.310 nan 0.000 0.478 184 E N 0.183 120.422 120.200 0.064 0.000 2.028 184 E HA -0.127 4.224 4.350 0.002 0.000 0.190 184 E C 2.178 178.837 176.600 0.098 0.000 0.984 184 E CA 1.133 57.582 56.400 0.081 0.000 0.800 184 E CB -0.298 29.456 29.700 0.090 0.000 0.758 184 E HN 0.569 nan 8.360 nan 0.000 0.448 185 M N 0.659 120.323 119.600 0.108 0.000 2.108 185 M HA -0.199 4.282 4.480 0.002 0.000 0.261 185 M C 2.154 178.480 176.300 0.044 0.000 1.066 185 M CA 1.805 57.156 55.300 0.086 0.000 1.107 185 M CB -0.412 32.240 32.600 0.087 0.000 1.356 185 M HN 0.155 nan 8.290 nan 0.000 0.406 186 E N 0.177 120.405 120.200 0.046 0.000 2.049 186 E HA -0.184 4.167 4.350 0.002 0.000 0.198 186 E C 1.983 178.608 176.600 0.042 0.000 1.007 186 E CA 1.809 58.232 56.400 0.038 0.000 0.809 186 E CB -0.275 29.450 29.700 0.042 0.000 0.749 186 E HN 0.439 nan 8.360 nan 0.000 0.450 187 S N 0.487 116.220 115.700 0.055 0.000 2.440 187 S HA -0.119 4.352 4.470 0.002 0.000 0.238 187 S C 2.050 176.700 174.600 0.083 0.000 1.010 187 S CA 0.861 59.098 58.200 0.062 0.000 0.972 187 S CB -0.049 63.192 63.200 0.070 0.000 0.774 187 S HN 0.071 nan 8.310 nan 0.000 0.501 188 V N 1.092 121.063 119.914 0.095 0.000 2.788 188 V HA 0.066 4.187 4.120 0.002 0.000 0.251 188 V C 1.895 178.043 176.094 0.090 0.000 1.068 188 V CA 0.979 63.377 62.300 0.163 0.000 1.090 188 V CB -0.499 31.377 31.823 0.088 0.000 0.710 188 V HN 0.426 nan 8.190 nan 0.000 0.467 189 L N 0.325 121.558 121.223 0.016 0.000 2.162 189 L HA 0.160 4.502 4.340 0.002 0.000 0.205 189 L C 2.121 178.958 176.870 -0.055 0.000 1.086 189 L CA 0.992 55.820 54.840 -0.019 0.000 0.778 189 L CB -0.460 41.596 42.059 -0.005 0.000 0.928 189 L HN 0.290 nan 8.230 nan 0.000 0.446 190 A N -0.703 122.098 122.820 -0.032 0.000 2.426 190 A HA 0.067 4.388 4.320 0.002 0.000 0.247 190 A C 1.174 178.694 177.584 -0.105 0.000 1.389 190 A CA 0.566 52.583 52.037 -0.034 0.000 1.129 190 A CB -0.250 18.761 19.000 0.019 0.000 0.928 190 A HN 0.490 nan 8.150 nan 0.000 0.557 191 Q N -2.043 117.614 119.800 -0.238 0.000 1.580 191 Q HA 0.215 4.556 4.340 0.002 0.000 0.161 191 Q C 1.170 176.683 176.000 -0.813 0.000 0.694 191 Q CA -0.061 55.484 55.803 -0.430 0.000 0.719 191 Q CB -0.350 28.162 28.738 -0.377 0.000 1.184 191 Q HN 0.495 nan 8.270 nan 0.000 0.367 192 L N 1.035 121.866 121.223 -0.654 0.000 2.085 192 L HA -0.333 4.008 4.340 0.002 0.000 0.218 192 L C 1.128 177.829 176.870 -0.283 0.000 1.080 192 L CA 2.021 56.571 54.840 -0.483 0.000 0.776 192 L CB -0.009 41.984 42.059 -0.109 0.000 0.891 192 L HN 0.363 nan 8.230 nan 0.000 0.437 193 D N -0.859 119.414 120.400 -0.211 0.000 2.348 193 D HA -0.107 4.534 4.640 0.002 0.000 0.216 193 D C 1.473 177.706 176.300 -0.112 0.000 0.970 193 D CA 0.784 54.712 54.000 -0.121 0.000 0.889 193 D CB -0.038 40.674 40.800 -0.147 0.000 0.912 193 D HN 0.518 nan 8.370 nan 0.000 0.524 194 N N -0.722 117.866 118.700 -0.185 0.000 2.395 194 N HA -0.034 4.707 4.740 0.002 0.000 0.175 194 N C 0.086 175.666 175.510 0.115 0.000 1.029 194 N CA 0.060 53.066 53.050 -0.072 0.000 0.897 194 N CB -0.019 38.405 38.487 -0.105 0.000 0.991 194 N HN 0.273 nan 8.380 nan 0.000 0.441 195 Y N 1.303 121.636 120.300 0.055 0.000 2.770 195 Y HA 0.068 4.619 4.550 0.002 0.000 0.342 195 Y C 1.545 177.517 175.900 0.121 0.000 1.221 195 Y CA -1.047 57.093 58.100 0.067 0.000 1.560 195 Y CB -0.075 38.423 38.460 0.063 0.000 1.213 195 Y HN 0.023 nan 8.280 nan 0.000 0.525 196 G N 2.263 111.210 108.800 0.245 0.000 2.547 196 G HA2 0.095 4.056 3.960 0.002 0.000 0.291 196 G HA3 0.095 4.056 3.960 0.002 0.000 0.291 196 G C 0.532 175.407 174.900 -0.041 0.000 1.211 196 G CA -0.515 44.710 45.100 0.208 0.000 0.950 196 G HN 0.655 nan 8.290 nan 0.000 0.504 197 Q N -0.513 119.188 119.800 -0.165 0.000 2.105 197 Q HA -0.327 4.014 4.340 0.002 0.000 0.217 197 Q C 2.377 178.191 176.000 -0.311 0.000 1.029 197 Q CA 3.075 58.598 55.803 -0.466 0.000 0.899 197 Q CB -0.578 28.051 28.738 -0.182 0.000 1.000 197 Q HN 0.634 nan 8.270 nan 0.000 0.414 198 Q N 0.053 119.761 119.800 -0.154 0.000 1.942 198 Q HA -0.142 4.199 4.340 0.002 0.000 0.203 198 Q C 1.941 177.864 176.000 -0.129 0.000 0.987 198 Q CA 2.456 58.187 55.803 -0.119 0.000 0.844 198 Q CB -0.448 28.248 28.738 -0.070 0.000 0.911 198 Q HN 0.669 nan 8.270 nan 0.000 0.423 199 E N -0.099 120.027 120.200 -0.123 0.000 2.147 199 E HA -0.230 4.121 4.350 0.002 0.000 0.199 199 E C 2.072 178.545 176.600 -0.211 0.000 1.005 199 E CA 1.281 57.561 56.400 -0.201 0.000 0.810 199 E CB -0.314 29.228 29.700 -0.264 0.000 0.736 199 E HN 0.310 nan 8.360 nan 0.000 0.460 200 L N 0.069 121.206 121.223 -0.143 0.000 2.217 200 L HA -0.105 4.236 4.340 0.002 0.000 0.211 200 L C 2.287 179.141 176.870 -0.027 0.000 1.107 200 L CA 0.719 55.527 54.840 -0.053 0.000 0.783 200 L CB -0.131 41.842 42.059 -0.144 0.000 0.919 200 L HN 0.136 nan 8.230 nan 0.000 0.442 201 A N -0.347 122.395 122.820 -0.130 0.000 1.855 201 A HA -0.206 4.115 4.320 0.002 0.000 0.215 201 A C 1.918 179.506 177.584 0.006 0.000 1.191 201 A CA 1.742 53.723 52.037 -0.094 0.000 0.613 201 A CB -0.588 18.333 19.000 -0.132 0.000 0.829 201 A HN 0.380 nan 8.150 nan 0.000 0.442 202 D N 0.334 120.717 120.400 -0.030 0.000 2.106 202 D HA -0.166 4.475 4.640 0.002 0.000 0.191 202 D C 1.997 178.316 176.300 0.032 0.000 0.997 202 D CA 1.353 55.344 54.000 -0.015 0.000 0.834 202 D CB -0.513 40.257 40.800 -0.051 0.000 0.956 202 D HN 0.410 nan 8.370 nan 0.000 0.448 203 L N -0.256 120.985 121.223 0.031 0.000 2.081 203 L HA -0.182 4.159 4.340 0.002 0.000 0.212 203 L C 2.382 179.326 176.870 0.123 0.000 1.080 203 L CA 0.804 55.704 54.840 0.099 0.000 0.754 203 L CB -0.388 41.673 42.059 0.004 0.000 0.893 203 L HN -0.035 nan 8.230 nan 0.000 0.433 204 F N -1.176 118.758 119.950 -0.027 0.000 2.771 204 F HA -0.121 4.407 4.527 0.002 0.000 0.299 204 F C 1.829 177.606 175.800 -0.038 0.000 1.177 204 F CA 0.394 58.369 58.000 -0.041 0.000 1.450 204 F CB 0.161 39.125 39.000 -0.060 0.000 1.114 204 F HN -0.169 nan 8.300 nan 0.000 0.587 205 V N -0.790 119.181 119.914 0.096 0.000 2.602 205 V HA -0.145 3.976 4.120 0.002 0.000 0.235 205 V C 1.719 177.800 176.094 -0.022 0.000 1.087 205 V CA 1.307 63.626 62.300 0.031 0.000 1.117 205 V CB -0.719 31.114 31.823 0.018 0.000 0.820 205 V HN 0.175 nan 8.190 nan 0.000 0.490 206 N N 0.061 118.743 118.700 -0.030 0.000 2.049 206 N HA -0.274 4.467 4.740 0.002 0.000 0.198 206 N C 1.754 177.122 175.510 -0.237 0.000 1.030 206 N CA 2.200 55.166 53.050 -0.140 0.000 0.870 206 N CB -0.340 38.045 38.487 -0.170 0.000 1.045 206 N HN 0.482 nan 8.380 nan 0.000 0.434 207 Y N 0.294 120.510 120.300 -0.141 0.000 2.583 207 Y HA 0.025 4.576 4.550 0.002 0.000 0.293 207 Y C 0.466 176.179 175.900 -0.311 0.000 1.157 207 Y CA 0.020 58.003 58.100 -0.196 0.000 1.315 207 Y CB -0.390 37.917 38.460 -0.256 0.000 1.021 207 Y HN 0.112 nan 8.280 nan 0.000 0.536 208 N N 0.134 118.748 118.700 -0.143 0.000 2.681 208 N HA -0.180 4.561 4.740 0.002 0.000 0.259 208 N C -1.359 173.972 175.510 -0.298 0.000 1.066 208 N CA 0.233 53.194 53.050 -0.149 0.000 0.717 208 N CB -1.085 37.360 38.487 -0.070 0.000 0.885 208 N HN -0.028 nan 8.380 nan 0.000 0.547 209 V N 1.818 121.481 119.914 -0.418 0.000 2.479 209 V HA 0.174 4.296 4.120 0.002 0.000 0.281 209 V C 0.863 176.857 176.094 -0.166 0.000 1.031 209 V CA 0.471 62.461 62.300 -0.516 0.000 1.038 209 V CB 0.903 32.147 31.823 -0.965 0.000 0.981 209 V HN 0.285 nan 8.190 nan 0.000 0.478 210 K N 2.764 123.107 120.400 -0.095 0.000 2.426 210 K HA 0.442 4.763 4.320 0.002 0.000 0.251 210 K C -0.194 176.369 176.600 -0.062 0.000 0.941 210 K CA -0.673 55.599 56.287 -0.025 0.000 0.808 210 K CB 1.980 34.481 32.500 0.002 0.000 1.265 210 K HN 0.565 nan 8.250 nan 0.000 0.432 211 S N 3.257 118.916 115.700 -0.068 0.000 3.332 211 S HA -0.069 4.402 4.470 0.002 0.000 0.395 211 S C -1.024 173.467 174.600 -0.182 0.000 1.180 211 S CA -0.729 57.366 58.200 -0.175 0.000 0.985 211 S CB 0.274 63.481 63.200 0.012 0.000 0.694 211 S HN 0.447 nan 8.310 nan 0.000 0.502 212 P HA -0.101 nan 4.420 nan 0.000 0.216 212 P C 0.475 177.742 177.300 -0.056 0.000 1.153 212 P CA 1.182 64.180 63.100 -0.170 0.000 0.858 212 P CB -0.400 31.173 31.700 -0.211 0.000 0.789 213 I N -5.129 115.436 120.570 -0.008 0.000 2.437 213 I HA 0.474 4.645 4.170 0.002 0.000 0.298 213 I C 0.751 176.897 176.117 0.048 0.000 0.984 213 I CA -0.808 60.519 61.300 0.045 0.000 1.214 213 I CB 0.498 38.555 38.000 0.096 0.000 1.365 213 I HN -0.209 nan 8.210 nan 0.000 0.469 214 T N 4.270 118.847 114.554 0.038 0.000 3.799 214 T HA -0.197 4.154 4.350 0.002 0.000 0.358 214 T C 0.920 175.639 174.700 0.032 0.000 0.759 214 T CA 0.848 62.970 62.100 0.036 0.000 1.869 214 T CB -2.098 66.797 68.868 0.045 0.000 1.837 214 T HN 2.001 nan 8.240 nan 0.000 0.762 215 G N 2.027 110.839 108.800 0.019 0.000 2.629 215 G HA2 -0.167 3.794 3.960 0.002 0.000 0.332 215 G HA3 -0.167 3.794 3.960 0.002 0.000 0.332 215 G C 0.377 175.292 174.900 0.024 0.000 0.255 215 G CA 0.771 45.879 45.100 0.014 0.000 1.157 215 G HN 0.872 nan 8.290 nan 0.000 0.437 216 N N 0.719 119.440 118.700 0.036 0.000 2.669 216 N HA 0.474 5.215 4.740 0.002 0.000 0.306 216 N C -0.686 174.850 175.510 0.042 0.000 1.352 216 N CA -0.618 52.458 53.050 0.042 0.000 0.886 216 N CB 0.619 39.141 38.487 0.058 0.000 1.107 216 N HN 0.230 nan 8.380 nan 0.000 0.534 217 D N 0.059 120.489 120.400 0.050 0.000 2.441 217 D HA 0.321 4.962 4.640 0.002 0.000 0.231 217 D C -0.959 175.384 176.300 0.073 0.000 1.073 217 D CA -0.440 53.591 54.000 0.052 0.000 0.850 217 D CB 0.629 41.451 40.800 0.038 0.000 1.062 217 D HN 0.130 nan 8.370 nan 0.000 0.524 218 L N 2.206 123.488 121.223 0.098 0.000 2.453 218 L HA 0.170 4.511 4.340 0.002 0.000 0.272 218 L C 1.259 178.180 176.870 0.084 0.000 1.182 218 L CA 0.015 54.933 54.840 0.130 0.000 0.858 218 L CB 0.253 42.438 42.059 0.211 0.000 1.120 218 L HN 0.445 nan 8.230 nan 0.000 0.474 219 S N 5.329 121.058 115.700 0.049 0.000 2.641 219 S HA 0.364 4.835 4.470 0.002 0.000 0.251 219 S C -2.283 172.288 174.600 -0.048 0.000 1.332 219 S CA -0.811 57.389 58.200 -0.000 0.000 0.968 219 S CB -0.230 62.960 63.200 -0.016 0.000 0.987 219 S HN 0.596 nan 8.310 nan 0.000 0.587 220 P HA 0.356 nan 4.420 nan 0.000 0.281 220 P C -2.784 174.370 177.300 -0.242 0.000 1.249 220 P CA -2.013 60.998 63.100 -0.148 0.000 0.810 220 P CB -0.133 31.506 31.700 -0.102 0.000 1.008 221 P HA -0.056 nan 4.420 nan 0.000 0.261 221 P C 0.057 177.204 177.300 -0.255 0.000 1.183 221 P CA 0.546 63.373 63.100 -0.455 0.000 0.761 221 P CB 0.293 31.592 31.700 -0.669 0.000 0.785 222 V N 0.694 120.563 119.914 -0.075 0.000 3.155 222 V HA 0.671 4.792 4.120 0.002 0.000 0.313 222 V C -0.285 175.991 176.094 0.303 0.000 1.162 222 V CA -0.952 61.383 62.300 0.059 0.000 1.048 222 V CB 2.048 33.886 31.823 0.025 0.000 1.092 222 V HN 0.375 nan 8.190 nan 0.000 0.447 223 S N 2.038 117.890 115.700 0.254 0.000 2.448 223 S HA 0.633 5.104 4.470 0.002 0.000 0.320 223 S C -1.018 173.659 174.600 0.129 0.000 1.071 223 S CA -0.135 58.177 58.200 0.187 0.000 1.113 223 S CB 0.461 63.735 63.200 0.124 0.000 0.972 223 S HN 0.774 nan 8.310 nan 0.000 0.465 224 F N 5.230 125.118 119.950 -0.103 0.000 2.375 224 F HA 0.375 4.903 4.527 0.002 0.000 0.361 224 F C 0.118 175.795 175.800 -0.205 0.000 1.117 224 F CA -1.564 56.357 58.000 -0.131 0.000 1.037 224 F CB 0.389 39.316 39.000 -0.122 0.000 1.192 224 F HN 0.423 nan 8.300 nan 0.000 0.452 225 N N 6.195 124.559 118.700 -0.561 0.000 2.440 225 N HA -0.005 4.736 4.740 0.002 0.000 0.265 225 N C 0.946 175.833 175.510 -1.038 0.000 1.239 225 N CA 0.278 52.935 53.050 -0.655 0.000 0.909 225 N CB 0.784 39.033 38.487 -0.397 0.000 1.066 225 N HN 0.878 nan 8.380 nan 0.000 0.474 226 L N 3.097 123.788 121.223 -0.887 0.000 2.551 226 L HA 0.048 4.389 4.340 0.002 0.000 0.228 226 L C 1.000 177.609 176.870 -0.435 0.000 1.153 226 L CA 0.436 54.810 54.840 -0.777 0.000 0.851 226 L CB -0.130 41.421 42.059 -0.848 0.000 0.959 226 L HN 0.474 nan 8.230 nan 0.000 0.451 227 M N -0.540 118.878 119.600 -0.304 0.000 2.235 227 M HA 0.206 4.687 4.480 0.002 0.000 0.351 227 M C -0.311 175.914 176.300 -0.126 0.000 1.178 227 M CA -0.224 55.026 55.300 -0.085 0.000 1.143 227 M CB 0.851 33.323 32.600 -0.214 0.000 1.530 227 M HN -0.191 nan 8.290 nan 0.000 0.461 228 F N 2.067 122.037 119.950 0.032 0.000 2.444 228 F HA 0.271 4.799 4.527 0.002 0.000 0.331 228 F C 0.713 176.592 175.800 0.130 0.000 1.167 228 F CA 0.375 58.404 58.000 0.049 0.000 1.262 228 F CB 0.538 39.542 39.000 0.007 0.000 1.196 228 F HN 0.330 nan 8.300 nan 0.000 0.583 229 K N 1.444 121.998 120.400 0.257 0.000 2.443 229 K HA 0.557 4.878 4.320 0.002 0.000 0.252 229 K C -0.995 175.566 176.600 -0.066 0.000 0.933 229 K CA -0.291 56.074 56.287 0.131 0.000 0.792 229 K CB 1.954 34.524 32.500 0.117 0.000 1.185 229 K HN 0.750 nan 8.250 nan 0.000 0.425 230 T N 1.905 116.270 114.554 -0.315 0.000 2.731 230 T HA 0.614 4.965 4.350 0.002 0.000 0.300 230 T C -1.657 172.631 174.700 -0.686 0.000 1.283 230 T CA -0.454 61.452 62.100 -0.322 0.000 1.005 230 T CB 0.538 69.337 68.868 -0.115 0.000 1.420 230 T HN 0.291 nan 8.240 nan 0.000 0.503 231 F N 1.345 121.260 119.950 -0.057 0.000 2.477 231 F HA 0.580 5.108 4.527 0.002 0.000 0.335 231 F C 0.156 175.921 175.800 -0.058 0.000 1.130 231 F CA -0.904 57.057 58.000 -0.065 0.000 0.948 231 F CB 0.903 39.876 39.000 -0.046 0.000 1.154 231 F HN 0.287 nan 8.300 nan 0.000 0.439 232 I N 4.019 124.617 120.570 0.047 0.000 2.421 232 I HA 0.455 4.626 4.170 0.002 0.000 0.291 232 I C 0.778 176.919 176.117 0.041 0.000 1.089 232 I CA 0.342 61.653 61.300 0.018 0.000 1.354 232 I CB -0.249 37.738 38.000 -0.022 0.000 1.413 232 I HN 0.845 nan 8.210 nan 0.000 0.513 233 G N 7.537 116.358 108.800 0.035 0.000 2.699 233 G HA2 -0.115 3.846 3.960 0.002 0.000 0.686 233 G HA3 -0.115 3.846 3.960 0.002 0.000 0.686 233 G C -2.689 172.229 174.900 0.030 0.000 1.301 233 G CA -1.222 43.894 45.100 0.026 0.000 0.816 233 G HN 0.526 nan 8.290 nan 0.000 0.595 234 P HA 0.477 nan 4.420 nan 0.000 0.268 234 P C 1.079 178.373 177.300 -0.010 0.000 1.208 234 P CA 1.708 64.807 63.100 -0.002 0.000 0.777 234 P CB 0.755 32.452 31.700 -0.006 0.000 0.875 235 G N 1.201 109.978 108.800 -0.038 0.000 2.508 235 G HA2 0.113 4.075 3.960 0.002 0.000 0.220 235 G HA3 0.113 4.075 3.960 0.002 0.000 0.220 235 G C 0.159 174.989 174.900 -0.116 0.000 1.287 235 G CA -0.098 44.963 45.100 -0.064 0.000 0.916 235 G HN 0.897 nan 8.290 nan 0.000 0.574 236 G N -0.886 107.844 108.800 -0.116 0.000 4.956 236 G HA2 0.436 4.397 3.960 0.002 0.000 0.263 236 G HA3 0.436 4.397 3.960 0.002 0.000 0.263 236 G C 0.651 175.564 174.900 0.022 0.000 0.958 236 G CA 1.127 46.114 45.100 -0.189 0.000 0.749 236 G HN 0.811 nan 8.290 nan 0.000 0.356 237 N N 0.470 119.192 118.700 0.037 0.000 2.250 237 N HA 0.055 4.796 4.740 0.002 0.000 0.181 237 N C 1.180 176.737 175.510 0.079 0.000 1.017 237 N CA 0.570 53.649 53.050 0.049 0.000 0.866 237 N CB 0.034 38.535 38.487 0.023 0.000 0.985 237 N HN 0.335 nan 8.380 nan 0.000 0.429 238 M N 1.990 121.647 119.600 0.096 0.000 2.741 238 M HA 0.324 4.805 4.480 0.002 0.000 0.283 238 M C -2.747 173.593 176.300 0.066 0.000 1.176 238 M CA -2.068 53.269 55.300 0.062 0.000 1.139 238 M CB 0.954 33.572 32.600 0.030 0.000 1.234 238 M HN -0.067 nan 8.290 nan 0.000 0.497 239 P HA 0.588 nan 4.420 nan 0.000 0.276 239 P C -0.405 176.645 177.300 -0.417 0.000 1.261 239 P CA 0.063 63.004 63.100 -0.264 0.000 0.800 239 P CB 1.710 33.247 31.700 -0.271 0.000 1.066 240 G N -0.569 107.837 108.800 -0.656 0.000 2.554 240 G HA2 0.592 4.553 3.960 0.002 0.000 0.306 240 G HA3 0.592 4.553 3.960 0.002 0.000 0.306 240 G C -2.196 172.248 174.900 -0.759 0.000 1.320 240 G CA -0.541 44.164 45.100 -0.659 0.000 0.800 240 G HN 0.402 nan 8.290 nan 0.000 0.481 241 Y N -1.500 118.742 120.300 -0.097 0.000 2.669 241 Y HA 0.670 5.221 4.550 0.002 0.000 0.335 241 Y C 0.001 175.865 175.900 -0.059 0.000 1.116 241 Y CA -1.132 56.935 58.100 -0.055 0.000 1.081 241 Y CB 1.693 40.158 38.460 0.007 0.000 1.297 241 Y HN 0.345 nan 8.280 nan 0.000 0.484 242 L N 2.906 124.220 121.223 0.152 0.000 2.257 242 L HA 0.454 4.795 4.340 0.002 0.000 0.290 242 L C 0.152 177.124 176.870 0.171 0.000 1.044 242 L CA -0.888 53.943 54.840 -0.015 0.000 0.810 242 L CB 0.894 42.700 42.059 -0.422 0.000 1.193 242 L HN 0.648 nan 8.230 nan 0.000 0.425 243 R N 4.598 125.177 120.500 0.131 0.000 2.730 243 R HA -0.056 4.285 4.340 0.002 0.000 0.327 243 R C -1.928 174.444 176.300 0.120 0.000 0.825 243 R CA -0.631 55.526 56.100 0.096 0.000 1.130 243 R CB -0.099 30.226 30.300 0.042 0.000 0.883 243 R HN 0.384 nan 8.270 nan 0.000 0.407 244 P HA -0.107 nan 4.420 nan 0.000 0.241 244 P C -0.788 176.534 177.300 0.036 0.000 1.191 244 P CA 0.866 64.039 63.100 0.122 0.000 0.771 244 P CB 0.212 32.009 31.700 0.161 0.000 0.929 245 E N -2.383 117.799 120.200 -0.030 0.000 2.390 245 E HA 0.266 4.617 4.350 0.002 0.000 0.280 245 E C 0.212 176.766 176.600 -0.077 0.000 0.992 245 E CA -0.749 55.630 56.400 -0.036 0.000 0.790 245 E CB 0.361 30.039 29.700 -0.037 0.000 1.248 245 E HN -0.248 nan 8.360 nan 0.000 0.447 246 T N -1.208 113.291 114.554 -0.092 0.000 2.978 246 T HA 0.052 4.403 4.350 0.002 0.000 0.262 246 T C 1.961 176.555 174.700 -0.176 0.000 1.063 246 T CA 1.020 63.050 62.100 -0.118 0.000 1.140 246 T CB -0.352 68.442 68.868 -0.124 0.000 0.886 246 T HN 0.583 nan 8.240 nan 0.000 0.470 247 A N 2.357 125.038 122.820 -0.231 0.000 1.906 247 A HA -0.324 3.997 4.320 0.002 0.000 0.222 247 A C 2.465 179.758 177.584 -0.486 0.000 1.282 247 A CA 2.417 54.183 52.037 -0.452 0.000 0.675 247 A CB -1.234 17.563 19.000 -0.339 0.000 0.838 247 A HN 0.513 nan 8.150 nan 0.000 0.469 248 Q N -0.978 118.758 119.800 -0.105 0.000 2.156 248 Q HA -0.227 4.114 4.340 0.002 0.000 0.211 248 Q C 2.169 178.144 176.000 -0.042 0.000 0.995 248 Q CA 1.965 57.815 55.803 0.077 0.000 0.877 248 Q CB -1.349 27.405 28.738 0.028 0.000 0.920 248 Q HN 0.745 nan 8.270 nan 0.000 0.416 249 G N 0.380 109.115 108.800 -0.108 0.000 2.402 249 G HA2 -0.171 3.790 3.960 0.002 0.000 0.216 249 G HA3 -0.171 3.790 3.960 0.002 0.000 0.216 249 G C 1.540 176.383 174.900 -0.095 0.000 1.162 249 G CA 0.526 45.573 45.100 -0.088 0.000 0.777 249 G HN 0.358 nan 8.290 nan 0.000 0.539 250 I N -0.137 120.314 120.570 -0.198 0.000 2.493 250 I HA -0.076 4.095 4.170 0.002 0.000 0.254 250 I C 2.151 178.278 176.117 0.016 0.000 1.160 250 I CA 0.580 61.789 61.300 -0.152 0.000 1.445 250 I CB -0.151 37.675 38.000 -0.289 0.000 1.086 250 I HN 0.055 nan 8.210 nan 0.000 0.433 251 F N 0.417 120.453 119.950 0.142 0.000 2.147 251 F HA 0.005 4.533 4.527 0.002 0.000 0.291 251 F C 2.127 177.942 175.800 0.026 0.000 1.093 251 F CA 0.763 58.855 58.000 0.153 0.000 1.263 251 F CB -0.980 38.056 39.000 0.060 0.000 1.036 251 F HN -0.140 nan 8.300 nan 0.000 0.481 252 L N 0.240 121.503 121.223 0.067 0.000 2.642 252 L HA -0.164 4.177 4.340 0.002 0.000 0.236 252 L C 0.988 177.879 176.870 0.035 0.000 1.169 252 L CA 0.827 55.643 54.840 -0.040 0.000 0.851 252 L CB -0.564 41.428 42.059 -0.111 0.000 0.968 252 L HN 0.242 nan 8.230 nan 0.000 0.453 253 N N -1.470 117.278 118.700 0.080 0.000 2.200 253 N HA 0.022 4.763 4.740 0.002 0.000 0.224 253 N C 1.267 176.821 175.510 0.073 0.000 1.179 253 N CA -0.083 52.998 53.050 0.052 0.000 0.877 253 N CB 0.483 38.976 38.487 0.009 0.000 1.072 253 N HN 0.145 nan 8.380 nan 0.000 0.519 254 F N 2.653 122.600 119.950 -0.005 0.000 2.087 254 F HA -0.229 4.299 4.527 0.002 0.000 0.299 254 F C 2.163 177.923 175.800 -0.066 0.000 1.100 254 F CA 1.688 59.646 58.000 -0.069 0.000 1.226 254 F CB 0.227 39.169 39.000 -0.097 0.000 0.983 254 F HN -0.153 nan 8.300 nan 0.000 0.479 255 K N 0.834 121.210 120.400 -0.040 0.000 1.988 255 K HA -0.234 4.087 4.320 0.002 0.000 0.221 255 K C 2.098 178.571 176.600 -0.211 0.000 1.053 255 K CA 2.339 58.550 56.287 -0.125 0.000 0.959 255 K CB -0.802 31.698 32.500 0.001 0.000 0.728 255 K HN 0.426 nan 8.250 nan 0.000 0.447 256 R N 0.876 121.313 120.500 -0.104 0.000 2.357 256 R HA -0.006 4.335 4.340 0.002 0.000 0.202 256 R C 2.209 178.488 176.300 -0.034 0.000 1.047 256 R CA 0.713 56.787 56.100 -0.043 0.000 1.034 256 R CB -0.313 29.998 30.300 0.019 0.000 0.875 256 R HN 0.180 nan 8.270 nan 0.000 0.473 257 L N 0.296 121.400 121.223 -0.198 0.000 2.253 257 L HA 0.007 4.348 4.340 0.002 0.000 0.205 257 L C 2.232 178.801 176.870 -0.502 0.000 1.078 257 L CA 0.156 54.866 54.840 -0.216 0.000 0.805 257 L CB -0.123 41.888 42.059 -0.079 0.000 0.963 257 L HN 0.136 nan 8.230 nan 0.000 0.459 258 L N 0.359 121.058 121.223 -0.874 0.000 2.017 258 L HA -0.239 4.102 4.340 0.002 0.000 0.208 258 L C 2.295 178.784 176.870 -0.634 0.000 1.073 258 L CA 1.832 55.968 54.840 -1.174 0.000 0.745 258 L CB -0.324 41.130 42.059 -1.007 0.000 0.894 258 L HN 0.198 nan 8.230 nan 0.000 0.432 259 E N -0.928 119.058 120.200 -0.357 0.000 2.086 259 E HA -0.318 4.033 4.350 0.002 0.000 0.205 259 E C 2.033 178.542 176.600 -0.152 0.000 1.027 259 E CA 2.358 58.641 56.400 -0.195 0.000 0.830 259 E CB -0.354 29.283 29.700 -0.105 0.000 0.751 259 E HN 0.504 nan 8.360 nan 0.000 0.456 260 F N 0.795 120.586 119.950 -0.265 0.000 2.120 260 F HA -0.219 4.309 4.527 0.002 0.000 0.300 260 F C 2.204 177.893 175.800 -0.185 0.000 1.095 260 F CA 1.416 59.307 58.000 -0.183 0.000 1.249 260 F CB -0.331 38.592 39.000 -0.129 0.000 0.995 260 F HN 0.131 nan 8.300 nan 0.000 0.480 261 N N 0.443 119.077 118.700 -0.109 0.000 2.421 261 N HA -0.090 4.651 4.740 0.002 0.000 0.201 261 N C -0.100 175.324 175.510 -0.144 0.000 1.198 261 N CA 0.421 53.396 53.050 -0.125 0.000 0.838 261 N CB -0.032 38.331 38.487 -0.206 0.000 1.011 261 N HN 0.275 nan 8.380 nan 0.000 0.463 262 Q N -1.691 118.015 119.800 -0.157 0.000 2.506 262 Q HA -0.173 4.168 4.340 0.002 0.000 0.268 262 Q C 0.788 176.704 176.000 -0.140 0.000 1.002 262 Q CA 0.916 56.639 55.803 -0.132 0.000 1.052 262 Q CB -2.208 26.477 28.738 -0.088 0.000 1.383 262 Q HN 0.602 nan 8.270 nan 0.000 0.537 263 G N -0.725 107.947 108.800 -0.212 0.000 2.189 263 G HA2 -0.376 3.585 3.960 0.002 0.000 0.267 263 G HA3 -0.376 3.585 3.960 0.002 0.000 0.267 263 G C 0.207 175.033 174.900 -0.123 0.000 0.975 263 G CA 1.238 46.223 45.100 -0.191 0.000 0.644 263 G HN 0.325 nan 8.290 nan 0.000 0.537 264 K N -0.451 119.889 120.400 -0.100 0.000 2.110 264 K HA 0.763 5.084 4.320 0.002 0.000 0.263 264 K C 0.078 176.711 176.600 0.054 0.000 0.975 264 K CA -0.712 55.568 56.287 -0.011 0.000 0.895 264 K CB 1.275 33.775 32.500 -0.001 0.000 1.060 264 K HN 0.081 nan 8.250 nan 0.000 0.448 265 L N 2.863 124.170 121.223 0.141 0.000 2.334 265 L HA 0.566 4.908 4.340 0.002 0.000 0.270 265 L C -1.941 175.024 176.870 0.159 0.000 1.018 265 L CA -1.729 53.262 54.840 0.253 0.000 0.811 265 L CB 0.422 42.651 42.059 0.283 0.000 1.271 265 L HN 0.650 nan 8.230 nan 0.000 0.443 266 P HA 0.558 nan 4.420 nan 0.000 0.280 266 P C -1.459 175.978 177.300 0.229 0.000 1.272 266 P CA -0.362 62.831 63.100 0.155 0.000 0.819 266 P CB 1.379 33.099 31.700 0.033 0.000 1.122 267 F N -2.230 117.697 119.950 -0.038 0.000 2.654 267 F HA 0.688 5.217 4.527 0.002 0.000 0.314 267 F C -2.124 173.720 175.800 0.074 0.000 1.116 267 F CA -1.090 56.922 58.000 0.020 0.000 1.017 267 F CB 0.794 39.831 39.000 0.062 0.000 1.285 267 F HN 0.485 nan 8.300 nan 0.000 0.448 268 A N 2.779 125.536 122.820 -0.105 0.000 2.331 268 A HA 0.953 5.274 4.320 0.002 0.000 0.320 268 A C -0.656 176.943 177.584 0.026 0.000 1.138 268 A CA -0.224 51.739 52.037 -0.124 0.000 0.790 268 A CB 0.939 19.979 19.000 0.067 0.000 1.206 268 A HN 1.701 nan 8.150 nan 0.000 0.470 269 A N 1.261 124.096 122.820 0.025 0.000 2.248 269 A HA 1.001 5.322 4.320 0.002 0.000 0.316 269 A C 0.246 177.834 177.584 0.008 0.000 1.101 269 A CA 0.025 52.107 52.037 0.076 0.000 0.875 269 A CB 1.074 20.174 19.000 0.167 0.000 1.207 269 A HN 2.575 nan 8.150 nan 0.000 0.504 270 A N -0.715 122.103 122.820 -0.004 0.000 2.586 270 A HA 0.731 5.053 4.320 0.002 0.000 0.290 270 A C -1.223 176.344 177.584 -0.028 0.000 1.086 270 A CA -0.444 51.589 52.037 -0.007 0.000 0.665 270 A CB 1.219 20.258 19.000 0.065 0.000 1.279 270 A HN 0.823 nan 8.150 nan 0.000 0.423 271 Q N -0.294 119.479 119.800 -0.044 0.000 2.386 271 Q HA 0.551 4.892 4.340 0.002 0.000 0.274 271 Q C -1.892 174.032 176.000 -0.127 0.000 1.011 271 Q CA -0.416 55.340 55.803 -0.078 0.000 0.867 271 Q CB 2.491 31.167 28.738 -0.105 0.000 1.409 271 Q HN 0.649 nan 8.270 nan 0.000 0.395 272 I N 1.929 122.421 120.570 -0.130 0.000 2.521 272 I HA 0.643 4.814 4.170 0.002 0.000 0.277 272 I C 0.063 176.085 176.117 -0.157 0.000 1.054 272 I CA -0.404 60.774 61.300 -0.204 0.000 1.117 272 I CB 1.537 39.419 38.000 -0.197 0.000 1.217 272 I HN 0.678 nan 8.210 nan 0.000 0.469 273 G N 4.517 113.220 108.800 -0.161 0.000 2.682 273 G HA2 0.362 4.324 3.960 0.002 0.000 0.303 273 G HA3 0.362 4.324 3.960 0.002 0.000 0.303 273 G C -1.400 173.403 174.900 -0.161 0.000 1.341 273 G CA -0.617 44.401 45.100 -0.137 0.000 0.784 273 G HN 0.330 nan 8.290 nan 0.000 0.497 274 N N -0.183 118.409 118.700 -0.181 0.000 2.493 274 N HA 0.673 5.414 4.740 0.002 0.000 0.275 274 N C -0.679 174.615 175.510 -0.359 0.000 1.186 274 N CA 0.026 52.882 53.050 -0.324 0.000 0.978 274 N CB 1.666 39.893 38.487 -0.434 0.000 1.184 274 N HN 0.369 nan 8.380 nan 0.000 0.487 275 S N 0.442 115.759 115.700 -0.637 0.000 2.540 275 S HA 0.571 5.042 4.470 0.002 0.000 0.275 275 S C -1.221 172.881 174.600 -0.831 0.000 1.123 275 S CA -0.630 57.270 58.200 -0.499 0.000 0.907 275 S CB 0.945 63.917 63.200 -0.380 0.000 1.081 275 S HN 0.294 nan 8.310 nan 0.000 0.476 276 F N 1.997 121.792 119.950 -0.259 0.000 2.444 276 F HA 0.557 5.085 4.527 0.002 0.000 0.342 276 F C 0.783 176.698 175.800 0.191 0.000 1.121 276 F CA -0.761 57.163 58.000 -0.127 0.000 0.997 276 F CB 1.212 40.083 39.000 -0.215 0.000 1.130 276 F HN 0.185 nan 8.300 nan 0.000 0.454 277 R N 1.938 122.690 120.500 0.419 0.000 2.472 277 R HA 0.148 4.489 4.340 0.002 0.000 0.294 277 R C -0.701 175.793 176.300 0.324 0.000 1.243 277 R CA -0.705 55.628 56.100 0.389 0.000 1.023 277 R CB 1.172 31.702 30.300 0.384 0.000 1.157 277 R HN 0.526 nan 8.270 nan 0.000 0.530 278 N N 2.243 120.912 118.700 -0.051 0.000 2.736 278 N HA -0.093 4.648 4.740 0.002 0.000 0.307 278 N C -0.133 175.278 175.510 -0.165 0.000 1.212 278 N CA 0.342 53.085 53.050 -0.512 0.000 1.158 278 N CB 0.101 37.819 38.487 -1.282 0.000 1.460 278 N HN 0.308 nan 8.380 nan 0.000 0.514 279 E N 1.131 121.355 120.200 0.039 0.000 2.425 279 E HA 0.080 4.431 4.350 0.002 0.000 0.258 279 E C 1.136 177.802 176.600 0.110 0.000 1.151 279 E CA 0.087 56.526 56.400 0.065 0.000 0.958 279 E CB 0.543 30.319 29.700 0.127 0.000 0.968 279 E HN 0.454 nan 8.360 nan 0.000 0.451 280 I N -0.249 120.390 120.570 0.115 0.000 2.364 280 I HA -0.058 4.113 4.170 0.002 0.000 0.241 280 I C 0.563 176.710 176.117 0.050 0.000 1.082 280 I CA 0.542 61.904 61.300 0.103 0.000 1.401 280 I CB 0.130 38.181 38.000 0.086 0.000 1.126 280 I HN 0.146 nan 8.210 nan 0.000 0.429 281 S N 2.577 118.324 115.700 0.078 0.000 2.080 281 S HA 0.284 4.755 4.470 0.002 0.000 0.162 281 S C -2.339 172.347 174.600 0.143 0.000 1.618 281 S CA -0.974 57.287 58.200 0.101 0.000 1.200 281 S CB 0.462 63.751 63.200 0.148 0.000 1.135 281 S HN 0.118 nan 8.310 nan 0.000 0.455 282 P HA 0.233 nan 4.420 nan 0.000 0.269 282 P C -0.297 177.107 177.300 0.174 0.000 1.263 282 P CA -0.163 63.035 63.100 0.163 0.000 0.813 282 P CB 0.386 32.194 31.700 0.180 0.000 0.868 283 R N 1.065 121.673 120.500 0.180 0.000 2.538 283 R HA 0.161 4.503 4.340 0.002 0.000 0.372 283 R C 0.654 177.084 176.300 0.217 0.000 0.950 283 R CA -0.115 56.099 56.100 0.191 0.000 1.168 283 R CB 0.354 30.763 30.300 0.181 0.000 1.542 283 R HN 0.252 nan 8.270 nan 0.000 0.536 284 S N 0.922 116.724 115.700 0.169 0.000 2.622 284 S HA 0.239 4.710 4.470 0.002 0.000 0.236 284 S C 1.030 175.547 174.600 -0.139 0.000 0.956 284 S CA 0.279 58.550 58.200 0.120 0.000 0.971 284 S CB 0.718 63.867 63.200 -0.084 0.000 0.782 284 S HN 0.654 nan 8.310 nan 0.000 0.468 285 G N 2.229 111.044 108.800 0.025 0.000 2.556 285 G HA2 -0.318 3.643 3.960 0.002 0.000 0.283 285 G HA3 -0.318 3.643 3.960 0.002 0.000 0.283 285 G C 0.587 175.193 174.900 -0.489 0.000 1.177 285 G CA 0.288 45.302 45.100 -0.143 0.000 0.978 285 G HN 0.393 nan 8.290 nan 0.000 0.554 286 L N 1.062 121.806 121.223 -0.799 0.000 2.291 286 L HA 0.038 4.379 4.340 0.002 0.000 0.214 286 L C 3.022 179.538 176.870 -0.590 0.000 1.120 286 L CA 0.406 54.770 54.840 -0.793 0.000 0.799 286 L CB -0.384 41.191 42.059 -0.806 0.000 0.925 286 L HN 0.494 nan 8.230 nan 0.000 0.446 287 I N -0.336 119.772 120.570 -0.770 0.000 2.208 287 I HA -0.223 3.948 4.170 0.002 0.000 0.245 287 I C 1.340 177.247 176.117 -0.351 0.000 1.097 287 I CA 1.393 62.315 61.300 -0.631 0.000 1.363 287 I CB -0.731 36.760 38.000 -0.847 0.000 1.051 287 I HN 0.188 nan 8.210 nan 0.000 0.413 288 R N 1.321 121.685 120.500 -0.227 0.000 2.275 288 R HA 0.482 4.823 4.340 0.002 0.000 0.326 288 R C -0.940 175.404 176.300 0.074 0.000 0.973 288 R CA -0.190 55.883 56.100 -0.044 0.000 0.854 288 R CB 1.717 32.036 30.300 0.031 0.000 1.156 288 R HN 0.043 nan 8.270 nan 0.000 0.487 289 V N 0.350 120.352 119.914 0.146 0.000 2.876 289 V HA 0.492 4.613 4.120 0.002 0.000 0.312 289 V C 0.553 176.879 176.094 0.386 0.000 1.085 289 V CA -1.211 61.259 62.300 0.283 0.000 0.945 289 V CB 2.413 34.410 31.823 0.288 0.000 1.017 289 V HN 0.662 nan 8.190 nan 0.000 0.428 290 R N 0.928 121.636 120.500 0.346 0.000 2.319 290 R HA 0.362 4.703 4.340 0.002 0.000 0.204 290 R C 0.259 176.712 176.300 0.256 0.000 0.954 290 R CA 0.371 56.706 56.100 0.393 0.000 1.066 290 R CB 0.167 30.758 30.300 0.486 0.000 0.991 290 R HN 0.896 nan 8.270 nan 0.000 0.486 291 E N 0.463 120.730 120.200 0.111 0.000 2.481 291 E HA 0.200 4.551 4.350 0.002 0.000 0.301 291 E C -1.619 174.901 176.600 -0.133 0.000 0.948 291 E CA -0.619 55.608 56.400 -0.288 0.000 0.804 291 E CB 0.932 30.511 29.700 -0.202 0.000 1.265 291 E HN 0.019 nan 8.360 nan 0.000 0.406 292 F N -0.663 119.133 119.950 -0.256 0.000 2.713 292 F HA 0.541 5.069 4.527 0.002 0.000 0.311 292 F C -0.914 174.746 175.800 -0.234 0.000 1.141 292 F CA -1.001 56.889 58.000 -0.182 0.000 0.939 292 F CB 1.477 40.414 39.000 -0.106 0.000 1.325 292 F HN 0.037 nan 8.300 nan 0.000 0.453 293 T N 4.078 118.666 114.554 0.055 0.000 2.771 293 T HA 0.603 4.954 4.350 0.002 0.000 0.291 293 T C -0.327 174.368 174.700 -0.008 0.000 0.954 293 T CA -0.469 61.588 62.100 -0.072 0.000 1.045 293 T CB 0.683 69.447 68.868 -0.173 0.000 0.917 293 T HN 0.719 nan 8.240 nan 0.000 0.484 294 M N 1.690 121.260 119.600 -0.050 0.000 2.393 294 M HA 0.857 5.338 4.480 0.002 0.000 0.299 294 M C -1.177 174.971 176.300 -0.253 0.000 1.103 294 M CA -1.262 53.987 55.300 -0.084 0.000 0.910 294 M CB 2.065 34.723 32.600 0.097 0.000 1.659 294 M HN 0.481 nan 8.290 nan 0.000 0.445 295 A N 2.924 125.474 122.820 -0.451 0.000 2.260 295 A HA 0.675 4.996 4.320 0.002 0.000 0.308 295 A C -0.726 176.616 177.584 -0.404 0.000 1.254 295 A CA -0.451 51.118 52.037 -0.780 0.000 0.874 295 A CB 0.517 18.291 19.000 -2.042 0.000 1.153 295 A HN 0.911 nan 8.150 nan 0.000 0.527 296 E N 2.336 122.401 120.200 -0.226 0.000 2.234 296 E HA 0.490 4.841 4.350 0.002 0.000 0.266 296 E C -1.317 175.257 176.600 -0.044 0.000 0.877 296 E CA -0.397 55.956 56.400 -0.077 0.000 0.758 296 E CB 2.260 31.895 29.700 -0.107 0.000 1.170 296 E HN 0.628 nan 8.360 nan 0.000 0.415 297 I N 2.303 122.854 120.570 -0.031 0.000 2.378 297 I HA 0.203 4.374 4.170 0.002 0.000 0.291 297 I C -0.189 175.837 176.117 -0.152 0.000 0.992 297 I CA -0.787 60.469 61.300 -0.073 0.000 1.154 297 I CB 1.372 39.302 38.000 -0.116 0.000 1.315 297 I HN 0.260 nan 8.210 nan 0.000 0.448 298 E N 5.255 125.332 120.200 -0.204 0.000 2.173 298 E HA 0.164 4.515 4.350 0.002 0.000 0.249 298 E C -0.542 175.767 176.600 -0.484 0.000 0.923 298 E CA -0.363 55.799 56.400 -0.398 0.000 0.754 298 E CB 0.591 29.939 29.700 -0.586 0.000 1.177 298 E HN 0.384 nan 8.360 nan 0.000 0.430 299 H N 3.965 122.845 119.070 -0.317 0.000 3.067 299 H HA 0.116 4.673 4.556 0.002 0.000 0.265 299 H C -0.775 174.428 175.328 -0.208 0.000 1.234 299 H CA -0.359 55.624 56.048 -0.108 0.000 1.452 299 H CB -0.289 29.666 29.762 0.321 0.000 1.527 299 H HN 0.212 nan 8.280 nan 0.000 0.486 300 F N 5.033 124.835 119.950 -0.246 0.000 2.439 300 F HA 0.123 4.651 4.527 0.002 0.000 0.356 300 F C 0.490 176.292 175.800 0.003 0.000 1.161 300 F CA -0.136 57.808 58.000 -0.093 0.000 1.151 300 F CB 0.439 39.337 39.000 -0.170 0.000 1.222 300 F HN 0.168 nan 8.300 nan 0.000 0.558 301 V N 3.052 123.136 119.914 0.284 0.000 2.919 301 V HA 0.344 4.466 4.120 0.002 0.000 0.316 301 V C -0.668 175.566 176.094 0.235 0.000 1.077 301 V CA -0.807 61.653 62.300 0.267 0.000 0.977 301 V CB 2.134 34.158 31.823 0.336 0.000 1.039 301 V HN 0.603 nan 8.190 nan 0.000 0.441 302 D N 6.150 126.666 120.400 0.195 0.000 2.383 302 D HA 0.263 4.904 4.640 0.002 0.000 0.252 302 D C -1.194 175.184 176.300 0.129 0.000 1.166 302 D CA -1.213 52.880 54.000 0.156 0.000 0.879 302 D CB 1.582 42.459 40.800 0.128 0.000 1.164 302 D HN 0.360 nan 8.370 nan 0.000 0.462 303 P HA -0.270 nan 4.420 nan 0.000 0.218 303 P C 0.985 178.332 177.300 0.078 0.000 1.154 303 P CA 1.462 64.618 63.100 0.094 0.000 0.872 303 P CB -0.035 31.713 31.700 0.080 0.000 0.790 304 S N -1.605 114.138 115.700 0.071 0.000 2.527 304 S HA 0.005 4.476 4.470 0.002 0.000 0.222 304 S C 1.248 175.880 174.600 0.053 0.000 0.985 304 S CA 0.342 58.575 58.200 0.055 0.000 0.921 304 S CB -0.513 62.716 63.200 0.048 0.000 0.772 304 S HN 0.059 nan 8.310 nan 0.000 0.529 305 E N 1.125 121.366 120.200 0.067 0.000 2.651 305 E HA 0.232 4.583 4.350 0.002 0.000 0.213 305 E C -0.551 176.092 176.600 0.072 0.000 1.028 305 E CA -0.128 56.309 56.400 0.061 0.000 1.183 305 E CB 0.288 30.027 29.700 0.064 0.000 1.188 305 E HN 0.515 nan 8.360 nan 0.000 0.444 306 K N 1.558 122.002 120.400 0.074 0.000 3.256 306 K HA -0.020 4.301 4.320 0.002 0.000 0.285 306 K C -0.566 176.070 176.600 0.059 0.000 1.086 306 K CA 0.280 56.617 56.287 0.083 0.000 1.125 306 K CB -0.275 32.273 32.500 0.080 0.000 1.292 306 K HN -0.003 nan 8.250 nan 0.000 0.312 307 D N -0.070 120.359 120.400 0.049 0.000 2.575 307 D HA 0.048 4.690 4.640 0.002 0.000 0.250 307 D C -1.195 175.122 176.300 0.028 0.000 1.279 307 D CA -0.531 53.486 54.000 0.029 0.000 0.925 307 D CB 0.648 41.447 40.800 -0.000 0.000 1.261 307 D HN 0.167 nan 8.370 nan 0.000 0.567 308 H N 4.186 123.238 119.070 -0.030 0.000 2.742 308 H HA 0.202 4.759 4.556 0.002 0.000 0.302 308 H C -1.685 173.582 175.328 -0.101 0.000 1.069 308 H CA -1.579 54.415 56.048 -0.091 0.000 1.446 308 H CB 1.628 31.280 29.762 -0.183 0.000 1.462 308 H HN 0.302 nan 8.280 nan 0.000 0.499 309 P HA -0.077 nan 4.420 nan 0.000 0.220 309 P C 0.734 178.037 177.300 0.005 0.000 1.148 309 P CA 1.374 64.433 63.100 -0.070 0.000 0.803 309 P CB 0.383 31.989 31.700 -0.155 0.000 0.782 310 K N -2.474 117.977 120.400 0.085 0.000 2.367 310 K HA 0.082 4.403 4.320 0.002 0.000 0.194 310 K C 1.600 178.061 176.600 -0.232 0.000 1.027 310 K CA -0.117 56.049 56.287 -0.201 0.000 1.075 310 K CB -0.404 31.753 32.500 -0.572 0.000 0.845 310 K HN 0.071 nan 8.250 nan 0.000 0.529 311 F N 2.828 122.627 119.950 -0.252 0.000 2.063 311 F HA -0.421 4.108 4.527 0.002 0.000 0.296 311 F C 2.358 178.142 175.800 -0.027 0.000 1.093 311 F CA 1.795 59.734 58.000 -0.102 0.000 1.229 311 F CB -0.019 38.946 39.000 -0.059 0.000 0.971 311 F HN 0.045 nan 8.300 nan 0.000 0.491 312 Q N 0.726 120.715 119.800 0.314 0.000 2.389 312 Q HA -0.261 4.080 4.340 0.002 0.000 0.213 312 Q C 1.382 177.432 176.000 0.083 0.000 0.989 312 Q CA 2.218 58.148 55.803 0.213 0.000 0.891 312 Q CB -0.667 28.139 28.738 0.113 0.000 0.923 312 Q HN 0.677 nan 8.270 nan 0.000 0.455 313 N N -1.668 117.050 118.700 0.030 0.000 2.216 313 N HA -0.081 4.660 4.740 0.002 0.000 0.183 313 N C 0.890 176.380 175.510 -0.034 0.000 1.017 313 N CA 1.234 54.292 53.050 0.012 0.000 0.861 313 N CB 0.247 38.761 38.487 0.046 0.000 0.986 313 N HN 0.258 nan 8.380 nan 0.000 0.428 314 V N -2.517 117.323 119.914 -0.124 0.000 3.177 314 V HA 0.565 4.686 4.120 0.002 0.000 0.342 314 V C 1.248 177.157 176.094 -0.308 0.000 1.379 314 V CA -0.101 62.065 62.300 -0.223 0.000 1.191 314 V CB -0.173 31.457 31.823 -0.322 0.000 1.167 314 V HN 0.123 nan 8.190 nan 0.000 0.471 315 A N 0.361 123.096 122.820 -0.143 0.000 1.874 315 A HA -0.048 4.273 4.320 0.002 0.000 0.214 315 A C 1.722 179.289 177.584 -0.029 0.000 1.189 315 A CA 1.570 53.649 52.037 0.071 0.000 0.615 315 A CB -0.399 18.770 19.000 0.283 0.000 0.830 315 A HN 0.511 nan 8.150 nan 0.000 0.443 316 D N 0.371 120.723 120.400 -0.081 0.000 2.332 316 D HA 0.126 4.767 4.640 0.002 0.000 0.244 316 D C -0.085 175.994 176.300 -0.368 0.000 1.136 316 D CA 0.211 54.096 54.000 -0.190 0.000 0.884 316 D CB -0.091 40.648 40.800 -0.101 0.000 0.906 316 D HN 0.369 nan 8.370 nan 0.000 0.520 317 L N 1.137 122.192 121.223 -0.281 0.000 2.349 317 L HA 0.166 4.507 4.340 0.002 0.000 0.275 317 L C 0.438 177.097 176.870 -0.352 0.000 1.115 317 L CA -0.139 54.550 54.840 -0.252 0.000 0.820 317 L CB 0.772 42.744 42.059 -0.144 0.000 1.135 317 L HN -0.067 nan 8.230 nan 0.000 0.445 318 H N 4.984 124.029 119.070 -0.042 0.000 2.661 318 H HA 0.447 5.004 4.556 0.002 0.000 0.290 318 H C -0.743 174.546 175.328 -0.066 0.000 1.082 318 H CA -0.629 55.396 56.048 -0.039 0.000 1.234 318 H CB 1.032 30.802 29.762 0.013 0.000 1.387 318 H HN 0.284 nan 8.280 nan 0.000 0.476 319 L N 0.129 121.341 121.223 -0.018 0.000 2.381 319 L HA 0.410 4.751 4.340 0.002 0.000 0.268 319 L C -0.622 176.363 176.870 0.190 0.000 0.997 319 L CA -1.463 53.371 54.840 -0.010 0.000 0.818 319 L CB 0.291 42.131 42.059 -0.364 0.000 1.310 319 L HN 0.073 nan 8.230 nan 0.000 0.416 320 Y N 2.699 123.043 120.300 0.073 0.000 2.721 320 Y HA 0.387 4.938 4.550 0.002 0.000 0.329 320 Y C 0.121 176.137 175.900 0.192 0.000 1.211 320 Y CA 0.180 58.358 58.100 0.129 0.000 1.512 320 Y CB 0.091 38.640 38.460 0.149 0.000 1.249 320 Y HN 0.478 nan 8.280 nan 0.000 0.549 321 L N 4.011 125.410 121.223 0.294 0.000 2.362 321 L HA 0.346 4.687 4.340 0.002 0.000 0.271 321 L C -1.121 176.005 176.870 0.427 0.000 1.002 321 L CA -1.053 54.011 54.840 0.374 0.000 0.818 321 L CB 1.886 44.083 42.059 0.231 0.000 1.298 321 L HN 0.486 nan 8.230 nan 0.000 0.420 322 Y N 2.709 123.196 120.300 0.311 0.000 2.658 322 Y HA 0.265 4.816 4.550 0.002 0.000 0.362 322 Y C 0.562 176.499 175.900 0.062 0.000 1.017 322 Y CA -1.284 56.886 58.100 0.117 0.000 1.134 322 Y CB 0.558 39.007 38.460 -0.019 0.000 1.144 322 Y HN 0.665 nan 8.280 nan 0.000 0.655 323 S N 1.076 116.811 115.700 0.060 0.000 2.564 323 S HA 0.081 4.552 4.470 0.002 0.000 0.263 323 S C 1.582 175.965 174.600 -0.362 0.000 1.378 323 S CA 0.116 58.252 58.200 -0.107 0.000 0.996 323 S CB 0.776 64.005 63.200 0.049 0.000 0.881 323 S HN 0.736 nan 8.310 nan 0.000 0.555 324 A N 1.338 123.956 122.820 -0.338 0.000 1.969 324 A HA -0.049 4.272 4.320 0.002 0.000 0.218 324 A C 2.238 179.673 177.584 -0.248 0.000 1.169 324 A CA 1.456 53.310 52.037 -0.305 0.000 0.635 324 A CB -0.688 18.171 19.000 -0.235 0.000 0.810 324 A HN 0.881 nan 8.150 nan 0.000 0.445 325 K N -0.316 119.976 120.400 -0.181 0.000 1.984 325 K HA -0.033 4.288 4.320 0.002 0.000 0.209 325 K C 2.260 178.754 176.600 -0.176 0.000 1.046 325 K CA 1.101 57.308 56.287 -0.133 0.000 0.934 325 K CB -0.386 32.071 32.500 -0.071 0.000 0.717 325 K HN 0.389 nan 8.250 nan 0.000 0.438 326 A N 1.559 124.249 122.820 -0.217 0.000 2.093 326 A HA -0.264 4.057 4.320 0.002 0.000 0.222 326 A C 1.880 179.226 177.584 -0.397 0.000 1.162 326 A CA 1.595 53.486 52.037 -0.243 0.000 0.655 326 A CB -0.455 18.414 19.000 -0.217 0.000 0.805 326 A HN 0.398 nan 8.150 nan 0.000 0.461 327 Q N -1.260 118.219 119.800 -0.535 0.000 2.250 327 Q HA 0.041 4.382 4.340 0.002 0.000 0.200 327 Q C 1.854 177.744 176.000 -0.184 0.000 0.941 327 Q CA 1.159 56.696 55.803 -0.445 0.000 0.872 327 Q CB 0.018 28.468 28.738 -0.481 0.000 0.965 327 Q HN 0.511 nan 8.270 nan 0.000 0.480 328 V N 0.782 120.601 119.914 -0.158 0.000 2.878 328 V HA -0.072 4.049 4.120 0.002 0.000 0.250 328 V C 1.671 177.733 176.094 -0.054 0.000 1.075 328 V CA 1.451 63.700 62.300 -0.086 0.000 1.096 328 V CB 0.306 32.083 31.823 -0.077 0.000 0.724 328 V HN 0.302 nan 8.190 nan 0.000 0.467 329 S N 0.806 116.468 115.700 -0.064 0.000 2.677 329 S HA 0.258 4.729 4.470 0.002 0.000 0.246 329 S C 1.428 176.021 174.600 -0.013 0.000 1.005 329 S CA 0.196 58.377 58.200 -0.031 0.000 1.062 329 S CB -0.385 62.796 63.200 -0.030 0.000 0.778 329 S HN 0.775 nan 8.310 nan 0.000 0.461 330 G N 2.069 110.865 108.800 -0.008 0.000 2.332 330 G HA2 -0.226 3.735 3.960 0.002 0.000 0.275 330 G HA3 -0.226 3.735 3.960 0.002 0.000 0.275 330 G C -0.106 174.830 174.900 0.060 0.000 0.825 330 G CA 0.970 46.089 45.100 0.031 0.000 1.070 330 G HN 0.929 nan 8.290 nan 0.000 0.470 331 Q N -1.126 118.718 119.800 0.074 0.000 2.433 331 Q HA 0.752 5.093 4.340 0.002 0.000 0.279 331 Q C 0.038 176.160 176.000 0.203 0.000 1.105 331 Q CA -0.941 54.923 55.803 0.102 0.000 0.815 331 Q CB 1.264 30.037 28.738 0.059 0.000 1.403 331 Q HN 0.054 nan 8.270 nan 0.000 0.435 332 S N 0.678 116.474 115.700 0.160 0.000 2.566 332 S HA 0.334 4.805 4.470 0.002 0.000 0.280 332 S C -0.036 174.697 174.600 0.223 0.000 1.343 332 S CA -0.024 58.275 58.200 0.165 0.000 1.036 332 S CB 0.379 63.632 63.200 0.087 0.000 0.866 332 S HN 0.694 nan 8.310 nan 0.000 0.526 333 A N 2.870 125.815 122.820 0.207 0.000 2.425 333 A HA 0.405 4.726 4.320 0.002 0.000 0.249 333 A C 0.364 178.000 177.584 0.088 0.000 1.084 333 A CA -0.310 51.889 52.037 0.270 0.000 0.781 333 A CB 0.177 19.279 19.000 0.171 0.000 1.019 333 A HN 0.799 nan 8.150 nan 0.000 0.490 334 R N 0.871 121.411 120.500 0.066 0.000 2.500 334 R HA 0.399 4.740 4.340 0.002 0.000 0.277 334 R C -0.004 176.196 176.300 -0.167 0.000 1.026 334 R CA -0.559 55.506 56.100 -0.059 0.000 1.058 334 R CB 1.052 31.348 30.300 -0.006 0.000 1.078 334 R HN 0.700 nan 8.270 nan 0.000 0.509 335 K N 3.788 123.998 120.400 -0.318 0.000 2.403 335 K HA 0.174 4.495 4.320 0.002 0.000 0.235 335 K C -0.240 176.294 176.600 -0.109 0.000 1.142 335 K CA -0.083 55.993 56.287 -0.352 0.000 1.114 335 K CB 0.275 32.406 32.500 -0.615 0.000 1.777 335 K HN 0.486 nan 8.250 nan 0.000 0.424 336 M N 0.879 120.464 119.600 -0.025 0.000 1.774 336 M HA 0.271 4.752 4.480 0.002 0.000 0.176 336 M C 0.495 176.887 176.300 0.152 0.000 1.202 336 M CA -0.129 55.193 55.300 0.037 0.000 0.883 336 M CB 0.271 32.884 32.600 0.021 0.000 1.104 336 M HN 0.244 nan 8.290 nan 0.000 0.482 337 R N 0.109 120.696 120.500 0.146 0.000 2.561 337 R HA 0.386 4.727 4.340 0.002 0.000 0.297 337 R C 0.264 176.567 176.300 0.004 0.000 0.969 337 R CA -0.497 55.667 56.100 0.107 0.000 0.879 337 R CB 1.092 31.497 30.300 0.173 0.000 1.178 337 R HN 0.758 nan 8.270 nan 0.000 0.445 338 L N 2.945 124.134 121.223 -0.057 0.000 2.021 338 L HA -0.190 4.151 4.340 0.002 0.000 0.215 338 L C 2.168 179.142 176.870 0.173 0.000 1.074 338 L CA 2.131 56.972 54.840 0.002 0.000 0.760 338 L CB -0.535 41.469 42.059 -0.092 0.000 0.889 338 L HN 1.031 nan 8.230 nan 0.000 0.433 339 G N -0.161 108.748 108.800 0.182 0.000 2.514 339 G HA2 -0.317 3.644 3.960 0.002 0.000 0.217 339 G HA3 -0.317 3.644 3.960 0.002 0.000 0.217 339 G C 0.989 175.900 174.900 0.018 0.000 1.198 339 G CA 1.322 46.498 45.100 0.126 0.000 0.780 339 G HN 0.373 nan 8.290 nan 0.000 0.565 340 D N 0.941 121.358 120.400 0.028 0.000 2.084 340 D HA 0.019 4.660 4.640 0.002 0.000 0.194 340 D C 2.777 179.077 176.300 -0.000 0.000 0.990 340 D CA 1.439 55.446 54.000 0.013 0.000 0.826 340 D CB -0.459 40.361 40.800 0.033 0.000 0.971 340 D HN 0.322 nan 8.370 nan 0.000 0.453 341 A N 0.277 123.098 122.820 0.002 0.000 2.042 341 A HA -0.204 4.117 4.320 0.002 0.000 0.222 341 A C 2.252 179.820 177.584 -0.027 0.000 1.167 341 A CA 1.443 53.469 52.037 -0.019 0.000 0.649 341 A CB -0.656 18.304 19.000 -0.067 0.000 0.809 341 A HN 0.201 nan 8.150 nan 0.000 0.457 342 V N -0.505 119.387 119.914 -0.037 0.000 2.599 342 V HA -0.103 4.019 4.120 0.002 0.000 0.245 342 V C 2.318 178.370 176.094 -0.070 0.000 1.046 342 V CA 1.310 63.567 62.300 -0.071 0.000 1.065 342 V CB -0.576 31.143 31.823 -0.173 0.000 0.703 342 V HN 0.507 nan 8.190 nan 0.000 0.464 343 E N 0.885 121.046 120.200 -0.065 0.000 2.013 343 E HA -0.305 4.046 4.350 0.002 0.000 0.202 343 E C 2.039 178.623 176.600 -0.026 0.000 1.018 343 E CA 1.610 57.980 56.400 -0.051 0.000 0.834 343 E CB -0.503 29.175 29.700 -0.035 0.000 0.770 343 E HN 0.653 nan 8.360 nan 0.000 0.459 344 Q N -0.122 119.672 119.800 -0.010 0.000 2.615 344 Q HA -0.019 4.322 4.340 0.002 0.000 0.220 344 Q C 0.833 176.841 176.000 0.014 0.000 0.981 344 Q CA 0.549 56.355 55.803 0.004 0.000 0.939 344 Q CB -0.357 28.388 28.738 0.012 0.000 0.982 344 Q HN 0.516 nan 8.270 nan 0.000 0.550 345 G N 0.051 108.855 108.800 0.007 0.000 2.283 345 G HA2 -0.290 3.671 3.960 0.002 0.000 0.280 345 G HA3 -0.290 3.671 3.960 0.002 0.000 0.280 345 G C 0.645 175.581 174.900 0.060 0.000 1.029 345 G CA 0.366 45.481 45.100 0.024 0.000 0.840 345 G HN 0.325 nan 8.290 nan 0.000 0.505 346 V N -0.333 119.622 119.914 0.068 0.000 2.346 346 V HA 0.149 4.270 4.120 0.002 0.000 0.244 346 V C 1.710 177.936 176.094 0.220 0.000 1.037 346 V CA 1.704 64.089 62.300 0.140 0.000 1.029 346 V CB -0.009 31.885 31.823 0.118 0.000 0.663 346 V HN 0.496 nan 8.190 nan 0.000 0.454 347 I N 1.699 122.312 120.570 0.073 0.000 2.377 347 I HA 0.194 4.365 4.170 0.002 0.000 0.282 347 I C 1.243 177.390 176.117 0.050 0.000 1.091 347 I CA -0.002 61.306 61.300 0.013 0.000 1.207 347 I CB -0.131 37.700 38.000 -0.280 0.000 1.429 347 I HN 0.347 nan 8.210 nan 0.000 0.491 348 N N 5.106 123.885 118.700 0.132 0.000 1.090 348 N HA -0.372 4.369 4.740 0.002 0.000 0.143 348 N C 0.452 175.988 175.510 0.042 0.000 0.239 348 N CA 2.791 55.898 53.050 0.096 0.000 1.046 348 N CB -0.116 38.452 38.487 0.134 0.000 1.498 348 N HN 0.804 nan 8.380 nan 0.000 0.719 349 N N -1.986 116.743 118.700 0.047 0.000 2.776 349 N HA 0.242 4.983 4.740 0.002 0.000 0.319 349 N C 0.727 176.250 175.510 0.022 0.000 1.316 349 N CA 0.256 53.318 53.050 0.020 0.000 0.890 349 N CB 0.373 38.887 38.487 0.045 0.000 1.165 349 N HN 0.474 nan 8.380 nan 0.000 0.596 350 T N -3.938 110.627 114.554 0.019 0.000 3.044 350 T HA 0.062 4.413 4.350 0.002 0.000 0.255 350 T C 1.661 176.529 174.700 0.279 0.000 1.073 350 T CA 0.230 62.414 62.100 0.140 0.000 1.125 350 T CB -0.605 68.231 68.868 -0.054 0.000 0.908 350 T HN 0.163 nan 8.240 nan 0.000 0.480 351 V N 1.560 121.548 119.914 0.123 0.000 2.252 351 V HA -0.136 3.985 4.120 0.002 0.000 0.249 351 V C 2.619 178.680 176.094 -0.055 0.000 1.056 351 V CA 1.718 64.016 62.300 -0.003 0.000 1.022 351 V CB -0.803 31.014 31.823 -0.012 0.000 0.641 351 V HN 0.347 nan 8.190 nan 0.000 0.445 352 L N 0.643 121.905 121.223 0.065 0.000 2.012 352 L HA -0.095 4.247 4.340 0.002 0.000 0.210 352 L C 2.474 179.345 176.870 0.003 0.000 1.073 352 L CA 2.417 57.308 54.840 0.084 0.000 0.748 352 L CB -1.357 40.742 42.059 0.067 0.000 0.891 352 L HN 0.349 nan 8.230 nan 0.000 0.431 353 G N -1.921 106.920 108.800 0.068 0.000 2.476 353 G HA2 -0.401 3.560 3.960 0.002 0.000 0.218 353 G HA3 -0.401 3.560 3.960 0.002 0.000 0.218 353 G C 1.579 176.287 174.900 -0.320 0.000 1.164 353 G CA 1.122 46.248 45.100 0.043 0.000 0.768 353 G HN 0.443 nan 8.290 nan 0.000 0.560 354 Y N 0.929 120.943 120.300 -0.477 0.000 2.070 354 Y HA -0.125 4.426 4.550 0.002 0.000 0.280 354 Y C 2.580 178.267 175.900 -0.356 0.000 1.148 354 Y CA 1.567 59.264 58.100 -0.672 0.000 1.125 354 Y CB -0.788 37.114 38.460 -0.931 0.000 0.975 354 Y HN 0.234 nan 8.280 nan 0.000 0.492 355 F N -0.216 119.553 119.950 -0.302 0.000 2.091 355 F HA -0.317 4.211 4.527 0.002 0.000 0.299 355 F C 2.510 178.232 175.800 -0.131 0.000 1.103 355 F CA 1.278 59.158 58.000 -0.201 0.000 1.228 355 F CB -0.473 38.514 39.000 -0.022 0.000 0.984 355 F HN 0.050 nan 8.300 nan 0.000 0.477 356 I N -0.033 120.538 120.570 0.001 0.000 2.264 356 I HA -0.277 3.894 4.170 0.002 0.000 0.248 356 I C 2.681 178.668 176.117 -0.218 0.000 1.111 356 I CA 1.421 62.601 61.300 -0.200 0.000 1.382 356 I CB -1.071 36.592 38.000 -0.563 0.000 1.060 356 I HN 0.207 nan 8.210 nan 0.000 0.418 357 G N 0.613 109.254 108.800 -0.265 0.000 2.414 357 G HA2 -0.186 3.775 3.960 0.002 0.000 0.215 357 G HA3 -0.186 3.775 3.960 0.002 0.000 0.215 357 G C 1.789 176.683 174.900 -0.010 0.000 1.188 357 G CA 0.206 45.185 45.100 -0.202 0.000 0.783 357 G HN 0.189 nan 8.290 nan 0.000 0.537 358 R N 0.195 120.613 120.500 -0.137 0.000 2.080 358 R HA -0.018 4.323 4.340 0.002 0.000 0.236 358 R C 2.617 179.177 176.300 0.433 0.000 1.137 358 R CA 1.146 57.255 56.100 0.015 0.000 0.943 358 R CB -0.846 29.308 30.300 -0.244 0.000 0.846 358 R HN 0.404 nan 8.270 nan 0.000 0.431 359 I N 0.082 120.969 120.570 0.529 0.000 2.300 359 I HA -0.340 3.831 4.170 0.002 0.000 0.252 359 I C 2.401 178.868 176.117 0.583 0.000 1.119 359 I CA 1.458 63.160 61.300 0.668 0.000 1.384 359 I CB -0.370 37.931 38.000 0.503 0.000 1.062 359 I HN 0.156 nan 8.210 nan 0.000 0.426 360 Y N 1.457 121.998 120.300 0.401 0.000 2.220 360 Y HA -0.124 4.427 4.550 0.002 0.000 0.291 360 Y C 2.269 178.300 175.900 0.220 0.000 1.129 360 Y CA 1.364 59.671 58.100 0.345 0.000 1.161 360 Y CB -0.258 38.365 38.460 0.272 0.000 0.997 360 Y HN -0.013 nan 8.280 nan 0.000 0.522 361 L N -1.105 120.198 121.223 0.133 0.000 2.083 361 L HA -0.234 4.107 4.340 0.002 0.000 0.209 361 L C 2.239 179.054 176.870 -0.091 0.000 1.083 361 L CA 1.690 56.545 54.840 0.025 0.000 0.752 361 L CB -0.955 41.234 42.059 0.217 0.000 0.899 361 L HN 0.290 nan 8.230 nan 0.000 0.433 362 Y N 1.121 121.262 120.300 -0.265 0.000 2.084 362 Y HA -0.218 4.333 4.550 0.002 0.000 0.279 362 Y C 2.437 178.246 175.900 -0.151 0.000 1.119 362 Y CA 1.391 59.191 58.100 -0.500 0.000 1.101 362 Y CB -0.590 37.758 38.460 -0.186 0.000 0.989 362 Y HN -0.095 nan 8.280 nan 0.000 0.484 363 L N -0.575 120.565 121.223 -0.139 0.000 2.064 363 L HA -0.357 3.984 4.340 0.002 0.000 0.216 363 L C 2.472 179.176 176.870 -0.277 0.000 1.077 363 L CA 2.075 56.778 54.840 -0.227 0.000 0.766 363 L CB -1.148 40.903 42.059 -0.013 0.000 0.890 363 L HN 0.316 nan 8.230 nan 0.000 0.435 364 T N -0.717 113.656 114.554 -0.303 0.000 2.674 364 T HA -0.240 4.111 4.350 0.002 0.000 0.265 364 T C 1.973 176.541 174.700 -0.220 0.000 1.039 364 T CA 1.686 63.603 62.100 -0.305 0.000 1.150 364 T CB -0.048 68.517 68.868 -0.504 0.000 0.864 364 T HN 0.250 nan 8.240 nan 0.000 0.427 365 K N 0.517 120.776 120.400 -0.234 0.000 2.103 365 K HA -0.078 4.243 4.320 0.002 0.000 0.207 365 K C 2.063 178.551 176.600 -0.188 0.000 1.048 365 K CA 1.066 57.252 56.287 -0.169 0.000 0.930 365 K CB -0.197 32.218 32.500 -0.140 0.000 0.716 365 K HN 0.170 nan 8.250 nan 0.000 0.444 366 V N -0.655 119.062 119.914 -0.329 0.000 2.515 366 V HA -0.064 4.057 4.120 0.002 0.000 0.250 366 V C 1.694 177.691 176.094 -0.162 0.000 1.058 366 V CA 1.777 63.893 62.300 -0.306 0.000 1.064 366 V CB 0.178 31.694 31.823 -0.511 0.000 0.675 366 V HN 0.747 nan 8.190 nan 0.000 0.461 367 G N -1.135 107.590 108.800 -0.126 0.000 3.246 367 G HA2 -0.064 3.897 3.960 0.002 0.000 0.218 367 G HA3 -0.064 3.897 3.960 0.002 0.000 0.218 367 G C 0.115 175.023 174.900 0.012 0.000 0.978 367 G CA -0.355 44.732 45.100 -0.021 0.000 0.825 367 G HN 0.347 nan 8.290 nan 0.000 0.546 368 I N 2.801 123.359 120.570 -0.020 0.000 2.710 368 I HA 0.194 4.365 4.170 0.002 0.000 0.286 368 I C 0.632 176.825 176.117 0.128 0.000 1.181 368 I CA 0.176 61.553 61.300 0.128 0.000 1.430 368 I CB 1.081 39.103 38.000 0.037 0.000 1.367 368 I HN 0.055 nan 8.210 nan 0.000 0.577 369 S N 7.908 123.714 115.700 0.176 0.000 2.510 369 S HA 0.091 4.562 4.470 0.002 0.000 0.279 369 S C -1.453 173.131 174.600 -0.025 0.000 1.284 369 S CA -0.932 57.226 58.200 -0.071 0.000 1.059 369 S CB 0.959 63.950 63.200 -0.349 0.000 0.901 369 S HN 0.473 nan 8.310 nan 0.000 0.491 370 P HA -0.177 nan 4.420 nan 0.000 0.217 370 P C 1.040 178.366 177.300 0.044 0.000 1.148 370 P CA 1.082 64.273 63.100 0.152 0.000 0.828 370 P CB 0.040 31.855 31.700 0.190 0.000 0.783 371 D N -0.860 119.497 120.400 -0.072 0.000 2.347 371 D HA -0.070 4.571 4.640 0.002 0.000 0.213 371 D C 0.772 176.931 176.300 -0.236 0.000 0.985 371 D CA 0.699 54.585 54.000 -0.190 0.000 0.879 371 D CB -0.259 40.469 40.800 -0.119 0.000 0.919 371 D HN 0.235 nan 8.370 nan 0.000 0.526 372 K N 0.023 120.294 120.400 -0.215 0.000 2.593 372 K HA 0.281 4.602 4.320 0.002 0.000 0.208 372 K C -0.508 176.085 176.600 -0.012 0.000 1.051 372 K CA -0.394 55.738 56.287 -0.258 0.000 1.111 372 K CB 0.842 33.048 32.500 -0.489 0.000 0.849 372 K HN -0.002 nan 8.250 nan 0.000 0.479 373 L N 0.807 122.097 121.223 0.111 0.000 2.388 373 L HA 0.559 4.900 4.340 0.002 0.000 0.264 373 L C -1.162 175.876 176.870 0.279 0.000 0.998 373 L CA -0.503 54.482 54.840 0.240 0.000 0.817 373 L CB 1.412 43.607 42.059 0.226 0.000 1.338 373 L HN 0.241 nan 8.230 nan 0.000 0.414 374 R N 2.097 122.730 120.500 0.223 0.000 2.756 374 R HA 0.588 4.929 4.340 0.002 0.000 0.273 374 R C -1.976 174.307 176.300 -0.028 0.000 1.030 374 R CA -0.756 55.455 56.100 0.185 0.000 0.887 374 R CB 0.874 31.200 30.300 0.043 0.000 1.274 374 R HN 0.366 nan 8.270 nan 0.000 0.461 375 F N 0.837 120.911 119.950 0.208 0.000 2.532 375 F HA 0.498 5.026 4.527 0.002 0.000 0.365 375 F C 0.175 176.248 175.800 0.455 0.000 1.112 375 F CA -0.586 57.601 58.000 0.312 0.000 1.082 375 F CB 1.759 40.931 39.000 0.287 0.000 1.319 375 F HN 0.365 nan 8.300 nan 0.000 0.457 376 R N 2.662 123.387 120.500 0.375 0.000 2.404 376 R HA 0.387 4.729 4.340 0.002 0.000 0.291 376 R C -0.348 175.982 176.300 0.049 0.000 1.025 376 R CA -0.418 55.831 56.100 0.249 0.000 0.991 376 R CB 1.266 31.657 30.300 0.152 0.000 1.053 376 R HN 0.730 nan 8.270 nan 0.000 0.479 377 Q N 1.895 121.448 119.800 -0.413 0.000 2.221 377 Q HA 0.168 4.509 4.340 0.002 0.000 0.242 377 Q C -0.645 175.184 176.000 -0.285 0.000 0.940 377 Q CA -0.557 54.749 55.803 -0.829 0.000 0.896 377 Q CB 1.005 28.790 28.738 -1.589 0.000 1.226 377 Q HN 0.687 nan 8.270 nan 0.000 0.463 378 H N 0.855 119.692 119.070 -0.388 0.000 2.534 378 H HA 0.272 4.829 4.556 0.002 0.000 0.364 378 H C -0.104 175.084 175.328 -0.233 0.000 1.328 378 H CA -0.690 55.215 56.048 -0.238 0.000 1.415 378 H CB 0.842 30.500 29.762 -0.173 0.000 1.573 378 H HN 0.458 nan 8.280 nan 0.000 0.601 379 M N 0.500 120.054 119.600 -0.077 0.000 2.598 379 M HA 0.106 4.587 4.480 0.002 0.000 0.317 379 M C 1.312 177.569 176.300 -0.072 0.000 1.201 379 M CA -0.351 54.886 55.300 -0.104 0.000 0.971 379 M CB 1.548 34.071 32.600 -0.127 0.000 1.657 379 M HN 0.721 nan 8.290 nan 0.000 0.470 380 E N 1.322 121.484 120.200 -0.063 0.000 2.169 380 E HA -0.244 4.107 4.350 0.002 0.000 0.202 380 E C 0.724 177.299 176.600 -0.042 0.000 1.016 380 E CA 2.013 58.386 56.400 -0.045 0.000 0.817 380 E CB -0.089 29.591 29.700 -0.033 0.000 0.736 380 E HN 0.716 nan 8.360 nan 0.000 0.462 381 N N -1.041 117.633 118.700 -0.044 0.000 2.235 381 N HA 0.033 4.774 4.740 0.002 0.000 0.231 381 N C 1.130 176.602 175.510 -0.063 0.000 1.177 381 N CA -0.082 52.946 53.050 -0.037 0.000 0.874 381 N CB 0.479 38.966 38.487 0.000 0.000 1.097 381 N HN 0.038 nan 8.380 nan 0.000 0.518 382 E N 0.953 121.088 120.200 -0.108 0.000 2.415 382 E HA 0.070 4.421 4.350 0.002 0.000 0.197 382 E C 0.611 177.084 176.600 -0.211 0.000 1.007 382 E CA -0.378 55.908 56.400 -0.190 0.000 0.890 382 E CB 0.252 29.791 29.700 -0.269 0.000 0.891 382 E HN 0.231 nan 8.360 nan 0.000 0.496 383 M N 1.735 121.283 119.600 -0.086 0.000 2.235 383 M HA -0.016 4.465 4.480 0.002 0.000 0.316 383 M C 0.004 176.259 176.300 -0.075 0.000 1.035 383 M CA 0.342 55.658 55.300 0.027 0.000 1.084 383 M CB 0.712 33.292 32.600 -0.033 0.000 1.529 383 M HN 0.141 nan 8.290 nan 0.000 0.440 384 A N 2.260 125.007 122.820 -0.122 0.000 2.346 384 A HA 0.208 4.529 4.320 0.002 0.000 0.252 384 A C 0.372 177.612 177.584 -0.573 0.000 1.089 384 A CA 0.173 51.930 52.037 -0.467 0.000 0.797 384 A CB -0.211 18.266 19.000 -0.872 0.000 1.047 384 A HN 1.113 nan 8.150 nan 0.000 0.494 385 H N -1.370 117.310 119.070 -0.650 0.000 2.562 385 H HA 0.096 4.653 4.556 0.002 0.000 0.272 385 H C 0.078 175.076 175.328 -0.549 0.000 1.019 385 H CA 1.620 57.391 56.048 -0.462 0.000 1.160 385 H CB -0.484 29.101 29.762 -0.294 0.000 1.334 385 H HN 0.723 nan 8.280 nan 0.000 0.611 386 Y N -2.383 117.513 120.300 -0.674 0.000 2.610 386 Y HA 0.722 5.273 4.550 0.002 0.000 0.254 386 Y C 0.371 176.042 175.900 -0.381 0.000 1.110 386 Y CA -1.217 56.460 58.100 -0.705 0.000 1.238 386 Y CB -0.468 37.813 38.460 -0.299 0.000 1.322 386 Y HN 0.343 nan 8.280 nan 0.000 0.547 387 A N 0.260 122.989 122.820 -0.151 0.000 2.350 387 A HA 0.654 4.975 4.320 0.002 0.000 0.318 387 A C 0.781 178.318 177.584 -0.078 0.000 1.132 387 A CA -0.034 51.993 52.037 -0.016 0.000 0.811 387 A CB 0.620 19.645 19.000 0.041 0.000 1.313 387 A HN 0.719 nan 8.150 nan 0.000 0.454 388 C N -1.516 117.771 119.300 -0.023 0.000 2.964 388 C HA 0.569 5.030 4.460 0.002 0.000 0.358 388 C C 0.268 175.251 174.990 -0.012 0.000 1.289 388 C CA 0.480 59.485 59.018 -0.022 0.000 1.856 388 C CB -0.686 27.057 27.740 0.005 0.000 2.488 388 C HN 0.843 nan 8.230 nan 0.000 0.604 389 D N -0.844 119.558 120.400 0.004 0.000 2.753 389 D HA 0.599 5.240 4.640 0.002 0.000 0.224 389 D C -1.484 174.807 176.300 -0.015 0.000 1.213 389 D CA 0.009 54.009 54.000 -0.000 0.000 0.833 389 D CB 2.065 42.907 40.800 0.070 0.000 1.607 389 D HN 0.560 nan 8.370 nan 0.000 0.463 390 C N 3.333 122.566 119.300 -0.112 0.000 3.279 390 C HA 0.701 5.162 4.460 0.002 0.000 0.386 390 C C -2.077 172.749 174.990 -0.274 0.000 1.081 390 C CA -0.662 58.261 59.018 -0.159 0.000 1.192 390 C CB -0.202 27.300 27.740 -0.397 0.000 1.552 390 C HN 0.635 nan 8.230 nan 0.000 0.559 391 W N 3.606 124.842 121.300 -0.107 0.000 2.785 391 W HA 0.570 5.231 4.660 0.002 0.000 0.333 391 W C -0.507 176.041 176.519 0.047 0.000 1.062 391 W CA 0.104 57.463 57.345 0.024 0.000 1.233 391 W CB 1.401 30.948 29.460 0.146 0.000 1.413 391 W HN 0.598 nan 8.180 nan 0.000 0.489 392 D N 1.135 121.702 120.400 0.278 0.000 2.272 392 D HA 0.615 5.256 4.640 0.002 0.000 0.247 392 D C -0.711 175.614 176.300 0.042 0.000 0.990 392 D CA -0.591 53.496 54.000 0.146 0.000 0.931 392 D CB 1.816 42.695 40.800 0.131 0.000 1.195 392 D HN 0.328 nan 8.370 nan 0.000 0.477 393 A N 1.579 124.302 122.820 -0.162 0.000 2.280 393 A HA 0.374 4.695 4.320 0.002 0.000 0.320 393 A C -0.178 177.274 177.584 -0.219 0.000 1.366 393 A CA -0.573 51.159 52.037 -0.508 0.000 0.938 393 A CB 0.146 18.868 19.000 -0.463 0.000 1.157 393 A HN 0.407 nan 8.150 nan 0.000 0.536 394 E N 1.724 121.850 120.200 -0.123 0.000 2.175 394 E HA 0.450 4.801 4.350 0.002 0.000 0.278 394 E C -0.429 176.332 176.600 0.269 0.000 0.969 394 E CA -0.506 55.962 56.400 0.113 0.000 0.796 394 E CB 1.607 31.419 29.700 0.187 0.000 1.104 394 E HN 0.632 nan 8.360 nan 0.000 0.395 395 S N 2.945 118.762 115.700 0.195 0.000 2.456 395 S HA 0.297 4.768 4.470 0.002 0.000 0.316 395 S C -0.127 174.469 174.600 -0.007 0.000 1.089 395 S CA -1.113 57.154 58.200 0.113 0.000 1.101 395 S CB 1.307 64.487 63.200 -0.034 0.000 0.995 395 S HN 0.216 nan 8.310 nan 0.000 0.468 396 K N 3.132 123.342 120.400 -0.317 0.000 2.383 396 K HA 0.306 4.627 4.320 0.002 0.000 0.286 396 K C 0.516 177.006 176.600 -0.183 0.000 1.051 396 K CA 0.397 56.272 56.287 -0.688 0.000 0.974 396 K CB 0.547 32.311 32.500 -1.228 0.000 0.968 396 K HN 1.013 nan 8.250 nan 0.000 0.475 397 T N -1.823 112.657 114.554 -0.124 0.000 2.696 397 T HA 0.183 4.534 4.350 0.002 0.000 0.291 397 T C 1.213 175.946 174.700 0.056 0.000 1.095 397 T CA -0.179 61.944 62.100 0.039 0.000 1.026 397 T CB 0.754 69.708 68.868 0.144 0.000 1.390 397 T HN 0.277 nan 8.240 nan 0.000 0.513 398 S N -0.660 115.124 115.700 0.140 0.000 2.469 398 S HA -0.098 4.373 4.470 0.002 0.000 0.238 398 S C 0.736 175.301 174.600 -0.057 0.000 0.998 398 S CA 0.671 58.882 58.200 0.019 0.000 0.957 398 S CB -0.975 62.215 63.200 -0.016 0.000 0.764 398 S HN 0.693 nan 8.310 nan 0.000 0.514 399 Y N 2.704 122.998 120.300 -0.010 0.000 2.683 399 Y HA 0.505 5.056 4.550 0.002 0.000 0.297 399 Y C 1.655 177.533 175.900 -0.036 0.000 1.147 399 Y CA -0.505 57.578 58.100 -0.028 0.000 1.274 399 Y CB -0.360 38.075 38.460 -0.043 0.000 1.143 399 Y HN 0.477 nan 8.280 nan 0.000 0.527 400 G N -0.379 108.456 108.800 0.058 0.000 2.645 400 G HA2 -0.302 3.659 3.960 0.002 0.000 0.239 400 G HA3 -0.302 3.659 3.960 0.002 0.000 0.239 400 G C -0.489 174.411 174.900 0.000 0.000 1.331 400 G CA -0.787 44.313 45.100 0.001 0.000 0.890 400 G HN 0.308 nan 8.290 nan 0.000 0.572 401 W N 0.359 121.666 121.300 0.012 0.000 2.181 401 W HA 0.558 5.219 4.660 0.002 0.000 0.335 401 W C 1.083 177.594 176.519 -0.013 0.000 1.310 401 W CA 0.573 57.916 57.345 -0.003 0.000 1.226 401 W CB 0.369 29.814 29.460 -0.025 0.000 1.155 401 W HN 0.602 nan 8.180 nan 0.000 0.565 402 I N 0.145 120.839 120.570 0.206 0.000 2.644 402 I HA 0.321 4.492 4.170 0.002 0.000 0.291 402 I C -0.395 175.749 176.117 0.044 0.000 1.180 402 I CA -1.470 59.876 61.300 0.077 0.000 1.040 402 I CB 1.841 39.833 38.000 -0.013 0.000 1.255 402 I HN 0.531 nan 8.210 nan 0.000 0.422 403 E N 6.375 126.586 120.200 0.019 0.000 2.366 403 E HA 0.178 4.529 4.350 0.002 0.000 0.266 403 E C 0.234 176.794 176.600 -0.067 0.000 1.015 403 E CA -0.300 56.095 56.400 -0.007 0.000 0.906 403 E CB 1.374 31.084 29.700 0.017 0.000 0.979 403 E HN 0.898 nan 8.360 nan 0.000 0.443 404 I N 0.041 120.556 120.570 -0.092 0.000 4.244 404 I HA 0.209 4.380 4.170 0.002 0.000 0.318 404 I C -0.322 175.698 176.117 -0.161 0.000 1.282 404 I CA -0.448 60.775 61.300 -0.129 0.000 1.276 404 I CB 0.821 38.752 38.000 -0.115 0.000 1.183 404 I HN 0.207 nan 8.210 nan 0.000 0.431 405 V N 1.929 121.730 119.914 -0.188 0.000 2.686 405 V HA 0.762 4.883 4.120 0.002 0.000 0.306 405 V C 0.042 176.005 176.094 -0.219 0.000 1.065 405 V CA -0.553 61.554 62.300 -0.322 0.000 0.894 405 V CB 1.412 32.934 31.823 -0.502 0.000 1.004 405 V HN 0.294 nan 8.190 nan 0.000 0.424 406 G N 1.033 109.712 108.800 -0.202 0.000 2.388 406 G HA2 0.521 4.482 3.960 0.002 0.000 0.330 406 G HA3 0.521 4.482 3.960 0.002 0.000 0.330 406 G C -0.868 173.988 174.900 -0.073 0.000 1.142 406 G CA -0.469 44.585 45.100 -0.075 0.000 0.908 406 G HN 0.813 nan 8.290 nan 0.000 0.473 407 C N 3.092 122.403 119.300 0.018 0.000 2.816 407 C HA 0.721 5.182 4.460 0.002 0.000 0.255 407 C C 1.060 176.103 174.990 0.089 0.000 1.141 407 C CA -0.404 58.651 59.018 0.062 0.000 1.554 407 C CB -1.469 26.364 27.740 0.157 0.000 1.778 407 C HN 1.001 nan 8.230 nan 0.000 0.429 408 A N 2.338 125.195 122.820 0.062 0.000 2.256 408 A HA 0.465 4.786 4.320 0.002 0.000 0.276 408 A C 0.776 178.427 177.584 0.111 0.000 1.259 408 A CA 0.386 52.472 52.037 0.081 0.000 0.813 408 A CB 0.202 19.284 19.000 0.138 0.000 1.200 408 A HN 0.748 nan 8.150 nan 0.000 0.506 409 D N -1.076 119.390 120.400 0.110 0.000 2.881 409 D HA 0.032 4.673 4.640 0.002 0.000 0.325 409 D C -0.574 175.788 176.300 0.104 0.000 1.621 409 D CA -0.300 53.770 54.000 0.117 0.000 0.785 409 D CB -0.073 40.800 40.800 0.121 0.000 1.233 409 D HN 0.597 nan 8.370 nan 0.000 0.447 410 R N 1.147 121.716 120.500 0.115 0.000 2.936 410 R HA 0.071 4.413 4.340 0.002 0.000 0.361 410 R C 0.358 176.718 176.300 0.100 0.000 0.873 410 R CA 0.109 56.284 56.100 0.124 0.000 1.041 410 R CB -0.865 29.515 30.300 0.133 0.000 0.924 410 R HN 0.014 nan 8.270 nan 0.000 0.401 411 S N 2.948 118.708 115.700 0.100 0.000 2.455 411 S HA 0.135 4.606 4.470 0.002 0.000 0.278 411 S C 1.489 176.150 174.600 0.101 0.000 1.216 411 S CA -0.460 57.796 58.200 0.093 0.000 1.055 411 S CB 0.662 63.911 63.200 0.082 0.000 0.939 411 S HN 1.014 nan 8.310 nan 0.000 0.494 412 C N 1.355 120.692 119.300 0.061 0.000 5.699 412 C HA -0.353 4.108 4.460 0.002 0.000 0.324 412 C C 1.518 176.507 174.990 -0.002 0.000 2.359 412 C CA 1.219 60.248 59.018 0.018 0.000 2.178 412 C CB -3.187 24.569 27.740 0.028 0.000 3.128 412 C HN 1.068 nan 8.230 nan 0.000 0.327 413 Y N 2.800 123.065 120.300 -0.058 0.000 2.228 413 Y HA -0.158 4.393 4.550 0.002 0.000 0.285 413 Y C 2.189 178.025 175.900 -0.108 0.000 1.178 413 Y CA 2.274 60.342 58.100 -0.053 0.000 1.202 413 Y CB -0.299 38.157 38.460 -0.006 0.000 0.974 413 Y HN 0.544 nan 8.280 nan 0.000 0.527 414 D N -0.295 119.927 120.400 -0.298 0.000 2.107 414 D HA -0.120 4.521 4.640 0.002 0.000 0.204 414 D C 2.012 178.111 176.300 -0.334 0.000 0.978 414 D CA 1.162 54.865 54.000 -0.495 0.000 0.852 414 D CB -0.201 39.965 40.800 -1.058 0.000 1.008 414 D HN 0.279 nan 8.370 nan 0.000 0.458 415 L N 1.449 122.486 121.223 -0.311 0.000 2.191 415 L HA -0.103 4.238 4.340 0.002 0.000 0.212 415 L C 2.459 179.256 176.870 -0.123 0.000 1.103 415 L CA 1.099 55.833 54.840 -0.176 0.000 0.769 415 L CB -0.907 40.988 42.059 -0.274 0.000 0.908 415 L HN -0.102 nan 8.230 nan 0.000 0.438 416 S N -1.363 114.240 115.700 -0.161 0.000 2.344 416 S HA -0.203 4.268 4.470 0.002 0.000 0.217 416 S C 2.179 176.682 174.600 -0.162 0.000 1.033 416 S CA 1.473 59.595 58.200 -0.130 0.000 1.017 416 S CB -0.704 62.426 63.200 -0.116 0.000 0.941 416 S HN 0.503 nan 8.310 nan 0.000 0.430 417 C N 1.686 120.805 119.300 -0.302 0.000 2.363 417 C HA -0.166 4.295 4.460 0.002 0.000 0.274 417 C C 2.620 177.437 174.990 -0.289 0.000 1.183 417 C CA 0.839 59.641 59.018 -0.360 0.000 1.771 417 C CB -1.749 25.630 27.740 -0.602 0.000 2.059 417 C HN 0.601 nan 8.230 nan 0.000 0.455 418 H N 0.325 119.321 119.070 -0.124 0.000 2.357 418 H HA -0.018 4.539 4.556 0.002 0.000 0.301 418 H C 2.468 177.775 175.328 -0.035 0.000 1.082 418 H CA 1.756 57.770 56.048 -0.057 0.000 1.342 418 H CB -0.749 28.993 29.762 -0.033 0.000 1.389 418 H HN 0.532 nan 8.280 nan 0.000 0.511 419 A N 1.791 124.648 122.820 0.062 0.000 1.883 419 A HA -0.205 4.116 4.320 0.002 0.000 0.217 419 A C 2.518 180.113 177.584 0.018 0.000 1.186 419 A CA 1.403 53.462 52.037 0.036 0.000 0.624 419 A CB -0.385 18.618 19.000 0.005 0.000 0.822 419 A HN 0.319 nan 8.150 nan 0.000 0.444 420 R N -0.754 119.739 120.500 -0.011 0.000 2.107 420 R HA -0.064 4.277 4.340 0.002 0.000 0.223 420 R C 2.525 178.822 176.300 -0.005 0.000 1.138 420 R CA 1.233 57.324 56.100 -0.014 0.000 0.900 420 R CB -0.883 29.396 30.300 -0.035 0.000 0.814 420 R HN 0.459 nan 8.270 nan 0.000 0.437 421 A N 0.742 123.549 122.820 -0.021 0.000 2.038 421 A HA -0.267 4.054 4.320 0.002 0.000 0.224 421 A C 2.159 179.755 177.584 0.020 0.000 1.190 421 A CA 2.603 54.635 52.037 -0.007 0.000 0.668 421 A CB -1.029 17.953 19.000 -0.029 0.000 0.820 421 A HN 0.693 nan 8.150 nan 0.000 0.474 422 T N -5.624 108.952 114.554 0.036 0.000 3.001 422 T HA 0.267 4.618 4.350 0.002 0.000 0.251 422 T C 0.659 175.379 174.700 0.034 0.000 1.040 422 T CA 0.634 62.760 62.100 0.044 0.000 0.985 422 T CB -0.094 68.814 68.868 0.065 0.000 1.011 422 T HN 0.562 nan 8.240 nan 0.000 0.509 423 K N 0.221 120.637 120.400 0.028 0.000 3.281 423 K HA -0.101 4.220 4.320 0.002 0.000 0.295 423 K C -0.764 175.854 176.600 0.029 0.000 1.233 423 K CA 0.388 56.689 56.287 0.024 0.000 0.866 423 K CB -2.341 30.171 32.500 0.020 0.000 1.265 423 K HN 0.408 nan 8.250 nan 0.000 0.482 424 V N 2.253 122.189 119.914 0.037 0.000 2.328 424 V HA 0.220 4.341 4.120 0.002 0.000 0.278 424 V C -1.600 174.522 176.094 0.047 0.000 1.021 424 V CA -1.596 60.729 62.300 0.042 0.000 0.838 424 V CB 1.122 32.975 31.823 0.050 0.000 0.999 424 V HN 0.032 nan 8.190 nan 0.000 0.447 425 P HA 0.115 nan 4.420 nan 0.000 0.264 425 P C -0.835 176.509 177.300 0.072 0.000 1.193 425 P CA 0.180 63.309 63.100 0.047 0.000 0.763 425 P CB 0.951 32.676 31.700 0.042 0.000 0.810 426 L N 4.606 125.868 121.223 0.066 0.000 2.417 426 L HA 0.389 4.730 4.340 0.002 0.000 0.259 426 L C 0.433 177.348 176.870 0.075 0.000 1.023 426 L CA -0.644 54.258 54.840 0.103 0.000 0.901 426 L CB 1.421 43.490 42.059 0.016 0.000 1.227 426 L HN 0.270 nan 8.230 nan 0.000 0.454 427 V N -0.421 119.600 119.914 0.177 0.000 3.112 427 V HA 1.034 5.155 4.120 0.002 0.000 0.310 427 V C -0.648 175.584 176.094 0.231 0.000 1.364 427 V CA -0.473 61.925 62.300 0.163 0.000 1.058 427 V CB 1.743 33.620 31.823 0.090 0.000 1.079 427 V HN 0.513 nan 8.190 nan 0.000 0.463 428 A N -0.493 122.430 122.820 0.171 0.000 2.525 428 A HA 0.986 5.307 4.320 0.002 0.000 0.291 428 A C -0.913 176.725 177.584 0.090 0.000 1.268 428 A CA -0.660 51.459 52.037 0.137 0.000 0.712 428 A CB 1.775 20.887 19.000 0.187 0.000 1.320 428 A HN 0.975 nan 8.150 nan 0.000 0.456 429 E N -0.564 119.677 120.200 0.069 0.000 2.429 429 E HA 0.571 4.922 4.350 0.002 0.000 0.276 429 E C -1.601 175.033 176.600 0.056 0.000 0.953 429 E CA -0.833 55.601 56.400 0.057 0.000 0.787 429 E CB 2.692 32.415 29.700 0.039 0.000 1.307 429 E HN 0.625 nan 8.360 nan 0.000 0.458 430 K N -0.091 120.342 120.400 0.056 0.000 2.562 430 K HA 0.501 4.822 4.320 0.002 0.000 0.267 430 K C -3.060 173.574 176.600 0.057 0.000 0.938 430 K CA -1.692 54.627 56.287 0.054 0.000 0.840 430 K CB 2.073 34.610 32.500 0.061 0.000 1.390 430 K HN 0.159 nan 8.250 nan 0.000 0.428 513 V N 0.669 120.702 119.914 0.198 0.000 2.275 513 V HA 0.488 4.609 4.120 0.002 0.000 0.272 513 V C -0.206 175.936 176.094 0.080 0.000 1.028 513 V CA -0.687 61.679 62.300 0.109 0.000 0.810 513 V CB 1.214 33.081 31.823 0.073 0.000 1.043 513 V HN 0.303 nan 8.190 nan 0.000 0.453 514 E N 3.743 123.985 120.200 0.069 0.000 2.373 514 E HA 0.255 4.606 4.350 0.002 0.000 0.263 514 E C -0.076 176.558 176.600 0.056 0.000 1.073 514 E CA -0.339 56.094 56.400 0.056 0.000 0.894 514 E CB 1.166 30.895 29.700 0.048 0.000 1.008 514 E HN 0.988 nan 8.360 nan 0.000 0.420 515 E N 1.278 121.509 120.200 0.052 0.000 2.214 515 E HA 0.483 4.834 4.350 0.002 0.000 0.274 515 E C -0.745 175.890 176.600 0.060 0.000 0.977 515 E CA -0.899 55.536 56.400 0.057 0.000 0.827 515 E CB 1.665 31.395 29.700 0.051 0.000 1.130 515 E HN 0.252 nan 8.360 nan 0.000 0.394 516 V N -0.675 119.282 119.914 0.073 0.000 3.159 516 V HA 0.614 4.735 4.120 0.002 0.000 0.308 516 V C -0.555 175.583 176.094 0.074 0.000 1.190 516 V CA -1.120 61.223 62.300 0.073 0.000 1.037 516 V CB 1.640 33.514 31.823 0.085 0.000 1.060 516 V HN 0.608 nan 8.190 nan 0.000 0.437 517 V N -0.709 119.238 119.914 0.055 0.000 2.293 517 V HA 0.511 4.633 4.120 0.002 0.000 0.275 517 V C -2.500 173.623 176.094 0.047 0.000 1.021 517 V CA -2.047 60.265 62.300 0.019 0.000 0.815 517 V CB 0.259 32.078 31.823 -0.006 0.000 1.025 517 V HN 0.855 nan 8.190 nan 0.000 0.448 518 P HA 0.046 nan 4.420 nan 0.000 0.260 518 P C -0.269 177.132 177.300 0.168 0.000 1.172 518 P CA 0.521 63.732 63.100 0.186 0.000 0.760 518 P CB 0.278 32.177 31.700 0.331 0.000 0.773 519 N N 1.484 120.285 118.700 0.168 0.000 2.518 519 N HA 0.331 5.072 4.740 0.002 0.000 0.283 519 N C -0.942 174.660 175.510 0.153 0.000 1.119 519 N CA -0.362 52.769 53.050 0.136 0.000 0.983 519 N CB 0.775 39.337 38.487 0.125 0.000 1.139 519 N HN 0.108 nan 8.380 nan 0.000 0.465 520 V N 3.778 123.747 119.914 0.092 0.000 2.357 520 V HA 0.475 4.596 4.120 0.002 0.000 0.284 520 V C -0.966 175.171 176.094 0.073 0.000 1.018 520 V CA -0.688 61.622 62.300 0.018 0.000 0.841 520 V CB 0.565 32.327 31.823 -0.102 0.000 0.991 520 V HN 0.450 nan 8.190 nan 0.000 0.437 521 I N 6.583 127.238 120.570 0.141 0.000 2.297 521 I HA 0.417 4.588 4.170 0.002 0.000 0.291 521 I C 0.272 176.450 176.117 0.101 0.000 1.033 521 I CA 0.267 61.672 61.300 0.175 0.000 1.253 521 I CB 1.345 39.515 38.000 0.283 0.000 1.396 521 I HN 0.725 nan 8.210 nan 0.000 0.476 522 E N 8.754 128.974 120.200 0.033 0.000 2.114 522 E HA 0.459 4.810 4.350 0.002 0.000 0.266 522 E C -2.662 173.890 176.600 -0.081 0.000 0.896 522 E CA -1.975 54.394 56.400 -0.051 0.000 0.750 522 E CB 1.466 31.142 29.700 -0.039 0.000 1.121 522 E HN 0.216 nan 8.360 nan 0.000 0.413 523 P HA 0.122 nan 4.420 nan 0.000 0.291 523 P C -1.200 176.106 177.300 0.010 0.000 1.340 523 P CA -0.323 62.694 63.100 -0.139 0.000 0.799 523 P CB 1.370 32.942 31.700 -0.213 0.000 0.917 524 S N 3.951 119.597 115.700 -0.091 0.000 2.437 524 S HA 0.630 5.101 4.470 0.002 0.000 0.305 524 S C -0.997 173.524 174.600 -0.131 0.000 1.109 524 S CA -0.509 57.686 58.200 -0.009 0.000 1.099 524 S CB -0.224 62.965 63.200 -0.019 0.000 1.004 524 S HN 0.051 nan 8.310 nan 0.000 0.475 525 F N 2.706 122.528 119.950 -0.214 0.000 2.427 525 F HA 0.499 5.027 4.527 0.002 0.000 0.346 525 F C 1.083 176.736 175.800 -0.245 0.000 1.120 525 F CA -1.108 56.751 58.000 -0.236 0.000 1.033 525 F CB 1.580 40.344 39.000 -0.393 0.000 1.126 525 F HN 0.682 nan 8.300 nan 0.000 0.462 526 G N 4.437 113.184 108.800 -0.089 0.000 3.286 526 G HA2 0.351 4.312 3.960 0.002 0.000 0.303 526 G HA3 0.351 4.312 3.960 0.002 0.000 0.303 526 G C 0.904 175.708 174.900 -0.161 0.000 0.974 526 G CA -0.333 44.655 45.100 -0.187 0.000 1.635 526 G HN 0.792 nan 8.290 nan 0.000 0.535 527 L N 1.583 122.715 121.223 -0.151 0.000 2.197 527 L HA -0.146 4.195 4.340 0.002 0.000 0.215 527 L C 2.887 179.649 176.870 -0.180 0.000 1.095 527 L CA 1.242 55.985 54.840 -0.163 0.000 0.764 527 L CB -0.268 41.654 42.059 -0.228 0.000 0.897 527 L HN 0.514 nan 8.230 nan 0.000 0.436 528 G N 0.121 108.808 108.800 -0.190 0.000 2.505 528 G HA2 -0.212 3.749 3.960 0.002 0.000 0.214 528 G HA3 -0.212 3.749 3.960 0.002 0.000 0.214 528 G C 1.653 176.446 174.900 -0.178 0.000 1.237 528 G CA 0.386 45.384 45.100 -0.170 0.000 0.802 528 G HN 0.266 nan 8.290 nan 0.000 0.549 529 R N -0.027 120.337 120.500 -0.227 0.000 2.159 529 R HA 0.039 4.380 4.340 0.002 0.000 0.237 529 R C 2.536 178.752 176.300 -0.140 0.000 1.131 529 R CA 0.787 56.771 56.100 -0.194 0.000 0.982 529 R CB -0.354 29.808 30.300 -0.230 0.000 0.868 529 R HN 0.416 nan 8.270 nan 0.000 0.453 530 I N 0.536 121.015 120.570 -0.151 0.000 2.163 530 I HA -0.283 3.888 4.170 0.002 0.000 0.240 530 I C 2.662 178.640 176.117 -0.231 0.000 1.081 530 I CA 1.229 62.439 61.300 -0.149 0.000 1.353 530 I CB -0.233 37.725 38.000 -0.070 0.000 1.054 530 I HN 0.192 nan 8.210 nan 0.000 0.407 531 M N -0.117 119.317 119.600 -0.277 0.000 2.213 531 M HA -0.286 4.195 4.480 0.002 0.000 0.263 531 M C 2.390 178.278 176.300 -0.686 0.000 1.062 531 M CA 1.889 56.896 55.300 -0.488 0.000 1.105 531 M CB -0.258 32.064 32.600 -0.463 0.000 1.385 531 M HN 0.227 nan 8.290 nan 0.000 0.417 532 Y N 0.746 120.765 120.300 -0.468 0.000 2.163 532 Y HA -0.168 4.383 4.550 0.002 0.000 0.288 532 Y C 2.160 177.925 175.900 -0.226 0.000 1.136 532 Y CA 2.343 60.273 58.100 -0.283 0.000 1.147 532 Y CB -0.665 37.665 38.460 -0.218 0.000 0.987 532 Y HN 0.235 nan 8.280 nan 0.000 0.509 533 T N -0.323 114.093 114.554 -0.230 0.000 2.720 533 T HA -0.203 4.148 4.350 0.002 0.000 0.268 533 T C 2.041 176.462 174.700 -0.466 0.000 1.037 533 T CA 1.735 63.582 62.100 -0.421 0.000 1.144 533 T CB -0.791 67.827 68.868 -0.417 0.000 0.864 533 T HN 0.206 nan 8.240 nan 0.000 0.444 534 V N 0.851 120.561 119.914 -0.339 0.000 2.469 534 V HA -0.136 3.985 4.120 0.002 0.000 0.251 534 V C 2.162 178.260 176.094 0.008 0.000 1.064 534 V CA 1.449 63.644 62.300 -0.175 0.000 1.066 534 V CB -0.799 30.888 31.823 -0.226 0.000 0.667 534 V HN 0.346 nan 8.190 nan 0.000 0.461 535 F N 0.776 120.636 119.950 -0.150 0.000 2.084 535 F HA -0.097 4.431 4.527 0.002 0.000 0.296 535 F C 2.523 178.281 175.800 -0.070 0.000 1.111 535 F CA 1.370 59.305 58.000 -0.109 0.000 1.224 535 F CB -0.954 37.820 39.000 -0.375 0.000 0.991 535 F HN 0.230 nan 8.300 nan 0.000 0.471 536 E N -0.952 119.185 120.200 -0.105 0.000 2.047 536 E HA -0.205 4.146 4.350 0.002 0.000 0.191 536 E C 1.977 178.611 176.600 0.056 0.000 0.987 536 E CA 1.320 57.673 56.400 -0.077 0.000 0.799 536 E CB -0.516 29.102 29.700 -0.136 0.000 0.752 536 E HN 0.599 nan 8.360 nan 0.000 0.449 537 H N -0.390 118.625 119.070 -0.092 0.000 2.543 537 H HA -0.046 4.511 4.556 0.002 0.000 0.286 537 H C 1.481 176.720 175.328 -0.148 0.000 1.037 537 H CA 1.191 57.180 56.048 -0.098 0.000 1.250 537 H CB 0.235 29.951 29.762 -0.077 0.000 1.373 537 H HN 0.198 nan 8.280 nan 0.000 0.580 538 T N -2.935 111.579 114.554 -0.068 0.000 3.170 538 T HA 0.067 4.418 4.350 0.002 0.000 0.288 538 T C -0.131 174.109 174.700 -0.766 0.000 0.992 538 T CA -0.516 61.383 62.100 -0.334 0.000 0.909 538 T CB -0.590 68.208 68.868 -0.118 0.000 1.133 538 T HN 0.096 nan 8.240 nan 0.000 0.530 539 F N 3.903 123.371 119.950 -0.804 0.000 2.424 539 F HA 0.511 5.039 4.527 0.002 0.000 0.356 539 F C -0.011 175.118 175.800 -1.118 0.000 1.110 539 F CA -0.386 56.971 58.000 -1.070 0.000 1.161 539 F CB 0.423 38.992 39.000 -0.719 0.000 1.115 539 F HN 0.199 nan 8.300 nan 0.000 0.507 540 H N 3.911 122.048 119.070 -1.555 0.000 2.907 540 H HA 0.568 5.125 4.556 0.002 0.000 0.361 540 H C -1.146 173.508 175.328 -1.123 0.000 1.194 540 H CA -0.946 54.390 56.048 -1.187 0.000 1.152 540 H CB 1.864 30.944 29.762 -1.137 0.000 1.867 540 H HN 0.338 nan 8.280 nan 0.000 0.561 541 V N 2.451 122.124 119.914 -0.400 0.000 2.378 541 V HA 0.261 4.382 4.120 0.002 0.000 0.288 541 V C 0.458 176.545 176.094 -0.012 0.000 1.016 541 V CA -1.056 61.098 62.300 -0.244 0.000 0.840 541 V CB 1.233 32.941 31.823 -0.192 0.000 0.994 541 V HN 0.512 nan 8.190 nan 0.000 0.431 542 R N 2.792 123.326 120.500 0.057 0.000 2.504 542 R HA 0.006 4.347 4.340 0.002 0.000 0.291 542 R C 0.525 176.817 176.300 -0.013 0.000 0.974 542 R CA 0.064 56.181 56.100 0.029 0.000 1.077 542 R CB 0.450 30.744 30.300 -0.010 0.000 0.926 542 R HN 0.807 nan 8.270 nan 0.000 0.407 543 E N 1.851 122.035 120.200 -0.026 0.000 1.999 543 E HA 0.122 4.473 4.350 0.002 0.000 0.296 543 E C -0.465 176.119 176.600 -0.027 0.000 1.187 543 E CA -0.207 56.176 56.400 -0.029 0.000 1.229 543 E CB -0.094 29.586 29.700 -0.033 0.000 1.131 543 E HN 0.696 nan 8.360 nan 0.000 0.478 544 G N 2.757 111.544 108.800 -0.021 0.000 2.575 544 G HA2 0.074 4.036 3.960 0.002 0.000 0.279 544 G HA3 0.074 4.036 3.960 0.002 0.000 0.279 544 G C -0.055 174.839 174.900 -0.010 0.000 1.460 544 G CA -0.715 44.376 45.100 -0.016 0.000 1.214 544 G HN 0.324 nan 8.290 nan 0.000 0.582 545 D N 0.972 121.367 120.400 -0.009 0.000 4.047 545 D HA -0.350 4.292 4.640 0.002 0.000 0.199 545 D C 1.836 178.135 176.300 -0.002 0.000 1.319 545 D CA 2.149 56.146 54.000 -0.005 0.000 0.865 545 D CB 0.055 40.853 40.800 -0.003 0.000 0.911 545 D HN 0.685 nan 8.370 nan 0.000 0.579 546 E N -0.407 119.794 120.200 0.001 0.000 2.233 546 E HA -0.333 4.018 4.350 0.002 0.000 0.210 546 E C -0.071 176.534 176.600 0.007 0.000 1.046 546 E CA 1.572 57.976 56.400 0.006 0.000 0.844 546 E CB 0.141 29.846 29.700 0.008 0.000 0.741 546 E HN 0.193 nan 8.360 nan 0.000 0.465 547 Q N -0.662 119.139 119.800 0.002 0.000 2.387 547 Q HA -0.131 4.210 4.340 0.002 0.000 0.287 547 Q C -1.146 174.859 176.000 0.007 0.000 1.367 547 Q CA 0.749 56.553 55.803 0.002 0.000 0.690 547 Q CB -1.697 27.046 28.738 0.009 0.000 1.090 547 Q HN 0.361 nan 8.270 nan 0.000 0.376 548 R N 0.336 120.838 120.500 0.003 0.000 2.428 548 R HA 0.642 4.983 4.340 0.002 0.000 0.294 548 R C 0.512 176.806 176.300 -0.010 0.000 1.000 548 R CA -0.003 56.106 56.100 0.016 0.000 0.960 548 R CB 1.127 31.442 30.300 0.024 0.000 1.076 548 R HN 0.306 nan 8.270 nan 0.000 0.475 549 T N 0.226 114.768 114.554 -0.021 0.000 2.841 549 T HA 0.579 4.930 4.350 0.002 0.000 0.285 549 T C -0.487 174.138 174.700 -0.125 0.000 0.991 549 T CA -0.868 61.116 62.100 -0.194 0.000 0.966 549 T CB 0.729 69.452 68.868 -0.242 0.000 0.962 549 T HN 0.450 nan 8.240 nan 0.000 0.438 550 F N 0.812 120.510 119.950 -0.421 0.000 2.579 550 F HA 0.903 5.431 4.527 0.002 0.000 0.324 550 F C -1.749 173.743 175.800 -0.513 0.000 1.058 550 F CA -2.640 55.182 58.000 -0.297 0.000 0.944 550 F CB 1.074 39.973 39.000 -0.168 0.000 1.245 550 F HN 0.484 nan 8.300 nan 0.000 0.477 551 F N 0.992 120.712 119.950 -0.384 0.000 2.458 551 F HA 0.436 4.964 4.527 0.002 0.000 0.336 551 F C 0.318 175.769 175.800 -0.582 0.000 1.114 551 F CA -0.819 56.716 58.000 -0.775 0.000 0.987 551 F CB 2.230 40.495 39.000 -1.225 0.000 1.130 551 F HN 0.653 nan 8.300 nan 0.000 0.458 552 S N 3.436 118.925 115.700 -0.353 0.000 3.700 552 S HA 0.406 4.877 4.470 0.002 0.000 0.192 552 S C -0.548 174.042 174.600 -0.017 0.000 1.430 552 S CA -0.567 57.613 58.200 -0.034 0.000 0.999 552 S CB -1.097 62.185 63.200 0.137 0.000 1.411 552 S HN 0.420 nan 8.310 nan 0.000 0.491 553 F N 2.108 122.112 119.950 0.090 0.000 2.443 553 F HA 0.344 4.872 4.527 0.002 0.000 0.353 553 F C -1.893 173.893 175.800 -0.024 0.000 1.101 553 F CA -2.446 55.569 58.000 0.025 0.000 1.226 553 F CB 0.389 39.399 39.000 0.016 0.000 1.140 553 F HN 0.239 nan 8.300 nan 0.000 0.557 554 P HA -0.015 nan 4.420 nan 0.000 0.269 554 P C 0.070 177.393 177.300 0.039 0.000 1.209 554 P CA 0.149 63.291 63.100 0.070 0.000 0.776 554 P CB 0.877 32.599 31.700 0.037 0.000 0.876 555 A N 3.012 125.835 122.820 0.006 0.000 2.084 555 A HA -0.179 4.142 4.320 0.002 0.000 0.221 555 A C 1.645 179.244 177.584 0.025 0.000 1.161 555 A CA 2.197 54.228 52.037 -0.010 0.000 0.653 555 A CB -1.523 17.503 19.000 0.044 0.000 0.802 555 A HN 0.507 nan 8.150 nan 0.000 0.457 556 V N -2.037 117.893 119.914 0.027 0.000 3.380 556 V HA 0.027 4.148 4.120 0.002 0.000 0.268 556 V C 1.767 177.856 176.094 -0.008 0.000 1.168 556 V CA 1.344 63.659 62.300 0.024 0.000 1.156 556 V CB -0.771 31.068 31.823 0.028 0.000 0.785 556 V HN 0.746 nan 8.190 nan 0.000 0.487 557 V N -2.976 116.912 119.914 -0.044 0.000 3.485 557 V HA 0.683 4.805 4.120 0.002 0.000 0.280 557 V C 1.181 177.161 176.094 -0.191 0.000 1.495 557 V CA 0.089 62.313 62.300 -0.125 0.000 1.018 557 V CB -0.195 31.512 31.823 -0.193 0.000 0.818 557 V HN 0.460 nan 8.190 nan 0.000 0.436 558 A N 1.930 124.691 122.820 -0.098 0.000 2.561 558 A HA 0.371 4.692 4.320 0.002 0.000 0.234 558 A C -0.631 176.890 177.584 -0.105 0.000 1.055 558 A CA 0.205 52.196 52.037 -0.076 0.000 0.756 558 A CB -0.446 18.546 19.000 -0.015 0.000 0.986 558 A HN 0.429 nan 8.150 nan 0.000 0.505 559 P HA -0.132 nan 4.420 nan 0.000 0.218 559 P C -0.082 177.281 177.300 0.106 0.000 1.154 559 P CA 2.087 65.138 63.100 -0.082 0.000 0.872 559 P CB -0.132 31.469 31.700 -0.165 0.000 0.790 560 F N -6.303 113.664 119.950 0.028 0.000 2.651 560 F HA 0.419 4.947 4.527 0.002 0.000 0.327 560 F C 0.607 176.450 175.800 0.072 0.000 1.133 560 F CA -1.384 56.643 58.000 0.046 0.000 1.076 560 F CB 0.302 39.327 39.000 0.040 0.000 1.315 560 F HN -0.435 nan 8.300 nan 0.000 0.499 561 K N 1.013 121.559 120.400 0.244 0.000 2.015 561 K HA -0.161 4.160 4.320 0.002 0.000 0.220 561 K C 0.633 177.366 176.600 0.223 0.000 1.055 561 K CA 2.355 58.742 56.287 0.166 0.000 0.951 561 K CB -0.285 32.348 32.500 0.223 0.000 0.725 561 K HN 0.662 nan 8.250 nan 0.000 0.449 562 C N -0.183 119.363 119.300 0.411 0.000 2.562 562 C HA 0.522 4.983 4.460 0.002 0.000 0.332 562 C C -0.400 174.918 174.990 0.547 0.000 1.201 562 C CA -0.618 58.656 59.018 0.426 0.000 1.803 562 C CB 1.815 29.770 27.740 0.359 0.000 2.328 562 C HN 0.370 nan 8.230 nan 0.000 0.500 563 S N 3.077 119.051 115.700 0.456 0.000 2.745 563 S HA 0.517 4.988 4.470 0.002 0.000 0.283 563 S C -1.057 173.737 174.600 0.322 0.000 1.170 563 S CA -0.385 58.091 58.200 0.460 0.000 1.119 563 S CB 0.512 64.005 63.200 0.489 0.000 1.035 563 S HN 0.711 nan 8.310 nan 0.000 0.483 564 V N 6.475 126.540 119.914 0.251 0.000 2.470 564 V HA 0.419 4.540 4.120 0.002 0.000 0.276 564 V C -0.228 175.941 176.094 0.126 0.000 1.040 564 V CA -0.320 62.088 62.300 0.180 0.000 1.008 564 V CB 0.321 32.237 31.823 0.155 0.000 0.990 564 V HN 0.755 nan 8.190 nan 0.000 0.477 565 L N 6.094 127.372 121.223 0.093 0.000 2.482 565 L HA 0.834 5.175 4.340 0.002 0.000 0.269 565 L C -2.825 174.060 176.870 0.025 0.000 0.967 565 L CA -1.569 53.279 54.840 0.012 0.000 0.851 565 L CB 2.064 44.049 42.059 -0.124 0.000 1.242 565 L HN 0.342 nan 8.230 nan 0.000 0.404 566 P HA 0.414 nan 4.420 nan 0.000 0.285 566 P C -0.074 177.203 177.300 -0.038 0.000 1.285 566 P CA -0.593 62.558 63.100 0.085 0.000 0.854 566 P CB 2.363 34.164 31.700 0.168 0.000 1.180 567 L N -0.259 120.919 121.223 -0.075 0.000 2.062 567 L HA 0.117 4.458 4.340 0.002 0.000 0.202 567 L C 1.646 178.287 176.870 -0.381 0.000 1.079 567 L CA 1.855 56.603 54.840 -0.153 0.000 0.755 567 L CB -1.221 40.846 42.059 0.013 0.000 0.913 567 L HN 0.400 nan 8.230 nan 0.000 0.445 568 S N -1.656 113.486 115.700 -0.930 0.000 2.654 568 S HA 0.206 4.677 4.470 0.002 0.000 0.283 568 S C 0.543 174.695 174.600 -0.747 0.000 1.180 568 S CA -0.476 57.233 58.200 -0.818 0.000 1.021 568 S CB 1.518 64.184 63.200 -0.891 0.000 1.018 568 S HN 0.227 nan 8.310 nan 0.000 0.532 569 Q N 2.530 122.102 119.800 -0.381 0.000 2.398 569 Q HA 0.119 4.460 4.340 0.002 0.000 0.204 569 Q C 0.681 176.591 176.000 -0.150 0.000 0.932 569 Q CA 0.581 56.255 55.803 -0.216 0.000 0.916 569 Q CB -0.277 28.387 28.738 -0.123 0.000 1.024 569 Q HN 0.877 nan 8.270 nan 0.000 0.504 570 N N -0.747 117.849 118.700 -0.173 0.000 2.202 570 N HA -0.163 4.579 4.740 0.002 0.000 0.218 570 N C 0.370 175.908 175.510 0.047 0.000 1.328 570 N CA 0.184 53.205 53.050 -0.048 0.000 0.884 570 N CB 0.292 38.762 38.487 -0.027 0.000 1.106 570 N HN 0.137 nan 8.380 nan 0.000 0.439 571 Q N -0.462 119.384 119.800 0.076 0.000 2.437 571 Q HA -0.096 4.245 4.340 0.002 0.000 0.210 571 Q C 0.983 177.081 176.000 0.164 0.000 0.972 571 Q CA 0.766 56.632 55.803 0.104 0.000 0.903 571 Q CB 0.044 28.825 28.738 0.072 0.000 0.967 571 Q HN 0.607 nan 8.270 nan 0.000 0.486 572 E N -0.081 120.251 120.200 0.221 0.000 2.268 572 E HA -0.131 4.220 4.350 0.002 0.000 0.195 572 E C 1.103 177.805 176.600 0.169 0.000 0.995 572 E CA 0.986 57.512 56.400 0.209 0.000 0.836 572 E CB 0.011 29.859 29.700 0.246 0.000 0.763 572 E HN 0.387 nan 8.360 nan 0.000 0.491 573 F N -0.341 119.585 119.950 -0.041 0.000 2.514 573 F HA 0.118 4.646 4.527 0.002 0.000 0.281 573 F C 2.143 178.008 175.800 0.108 0.000 1.060 573 F CA -0.043 57.943 58.000 -0.024 0.000 1.397 573 F CB -0.612 38.313 39.000 -0.125 0.000 1.129 573 F HN -0.157 nan 8.300 nan 0.000 0.620 574 M N 0.751 120.505 119.600 0.256 0.000 2.204 574 M HA -0.219 4.262 4.480 0.002 0.000 0.255 574 M C -0.515 175.860 176.300 0.126 0.000 1.073 574 M CA 2.194 57.585 55.300 0.152 0.000 1.084 574 M CB -2.699 29.956 32.600 0.092 0.000 1.289 574 M HN -0.065 nan 8.290 nan 0.000 0.419 575 P HA -0.145 nan 4.420 nan 0.000 0.220 575 P C 1.384 178.600 177.300 -0.138 0.000 1.144 575 P CA 1.265 64.348 63.100 -0.030 0.000 0.800 575 P CB -0.179 31.482 31.700 -0.065 0.000 0.772 576 F N -1.965 117.942 119.950 -0.071 0.000 2.317 576 F HA -0.041 4.487 4.527 0.002 0.000 0.290 576 F C 2.306 178.084 175.800 -0.036 0.000 1.075 576 F CA 0.723 58.667 58.000 -0.093 0.000 1.380 576 F CB -1.129 37.772 39.000 -0.165 0.000 1.093 576 F HN -0.334 nan 8.300 nan 0.000 0.524 577 V N 0.549 120.582 119.914 0.198 0.000 2.307 577 V HA -0.288 3.833 4.120 0.002 0.000 0.245 577 V C 2.490 178.633 176.094 0.081 0.000 1.045 577 V CA 1.879 64.259 62.300 0.133 0.000 1.024 577 V CB -0.571 31.331 31.823 0.132 0.000 0.651 577 V HN 0.241 nan 8.190 nan 0.000 0.449 578 K N 0.259 120.694 120.400 0.059 0.000 1.987 578 K HA -0.325 3.996 4.320 0.002 0.000 0.216 578 K C 2.222 178.828 176.600 0.010 0.000 1.051 578 K CA 2.481 58.787 56.287 0.030 0.000 0.942 578 K CB -0.278 32.227 32.500 0.007 0.000 0.722 578 K HN 0.425 nan 8.250 nan 0.000 0.444 579 E N 1.050 121.232 120.200 -0.029 0.000 2.048 579 E HA -0.238 4.114 4.350 0.002 0.000 0.202 579 E C 2.005 178.590 176.600 -0.026 0.000 1.021 579 E CA 1.686 58.056 56.400 -0.050 0.000 0.825 579 E CB -0.659 28.973 29.700 -0.112 0.000 0.756 579 E HN 0.325 nan 8.360 nan 0.000 0.454 580 L N 0.421 121.637 121.223 -0.011 0.000 2.051 580 L HA -0.220 4.121 4.340 0.002 0.000 0.214 580 L C 2.482 179.311 176.870 -0.068 0.000 1.076 580 L CA 2.524 57.355 54.840 -0.016 0.000 0.758 580 L CB -1.319 40.750 42.059 0.017 0.000 0.890 580 L HN 0.270 nan 8.230 nan 0.000 0.433 581 S N -0.919 114.771 115.700 -0.016 0.000 2.343 581 S HA -0.213 4.258 4.470 0.002 0.000 0.219 581 S C 1.870 176.500 174.600 0.050 0.000 1.033 581 S CA 1.529 59.754 58.200 0.041 0.000 1.014 581 S CB -0.336 63.019 63.200 0.257 0.000 0.915 581 S HN 0.653 nan 8.310 nan 0.000 0.435 582 E N 0.808 121.039 120.200 0.051 0.000 2.118 582 E HA -0.117 4.234 4.350 0.002 0.000 0.195 582 E C 2.359 178.957 176.600 -0.003 0.000 0.992 582 E CA 1.062 57.482 56.400 0.034 0.000 0.804 582 E CB -0.320 29.385 29.700 0.008 0.000 0.741 582 E HN 0.633 nan 8.360 nan 0.000 0.458 583 A N 1.177 123.982 122.820 -0.025 0.000 1.898 583 A HA -0.131 4.191 4.320 0.002 0.000 0.216 583 A C 2.190 179.778 177.584 0.007 0.000 1.181 583 A CA 0.925 52.945 52.037 -0.029 0.000 0.620 583 A CB -0.539 18.462 19.000 0.002 0.000 0.819 583 A HN 0.123 nan 8.150 nan 0.000 0.442 584 L N -0.726 120.474 121.223 -0.038 0.000 2.093 584 L HA -0.155 4.186 4.340 0.002 0.000 0.208 584 L C 2.802 179.707 176.870 0.059 0.000 1.085 584 L CA 1.709 56.519 54.840 -0.051 0.000 0.755 584 L CB -0.858 40.934 42.059 -0.446 0.000 0.904 584 L HN 0.356 nan 8.230 nan 0.000 0.435 585 T N -0.621 113.990 114.554 0.095 0.000 2.652 585 T HA -0.194 4.157 4.350 0.002 0.000 0.267 585 T C 1.968 176.708 174.700 0.066 0.000 1.039 585 T CA 1.205 63.398 62.100 0.155 0.000 1.153 585 T CB -0.217 68.739 68.868 0.147 0.000 0.863 585 T HN 0.283 nan 8.240 nan 0.000 0.428 586 R N 0.333 120.825 120.500 -0.014 0.000 2.139 586 R HA -0.105 4.236 4.340 0.002 0.000 0.243 586 R C 1.935 178.162 176.300 -0.121 0.000 1.145 586 R CA 1.140 57.178 56.100 -0.102 0.000 0.976 586 R CB -0.344 29.832 30.300 -0.207 0.000 0.866 586 R HN 0.511 nan 8.270 nan 0.000 0.449 587 H N -0.606 118.482 119.070 0.031 0.000 2.539 587 H HA 0.112 4.669 4.556 0.002 0.000 0.267 587 H C 0.860 176.221 175.328 0.055 0.000 0.982 587 H CA 0.727 56.796 56.048 0.036 0.000 1.146 587 H CB 0.382 30.159 29.762 0.025 0.000 1.382 587 H HN 0.413 nan 8.280 nan 0.000 0.577 588 G N 1.259 110.154 108.800 0.158 0.000 2.314 588 G HA2 -0.239 3.722 3.960 0.002 0.000 0.292 588 G HA3 -0.239 3.722 3.960 0.002 0.000 0.292 588 G C -0.187 174.810 174.900 0.162 0.000 1.059 588 G CA 0.433 45.615 45.100 0.138 0.000 0.982 588 G HN 0.228 nan 8.290 nan 0.000 0.505 589 V N 1.253 121.285 119.914 0.196 0.000 2.304 589 V HA 0.514 4.635 4.120 0.002 0.000 0.278 589 V C 0.882 177.162 176.094 0.310 0.000 1.018 589 V CA -0.388 62.044 62.300 0.220 0.000 0.814 589 V CB 1.338 33.275 31.823 0.191 0.000 1.021 589 V HN 0.941 nan 8.190 nan 0.000 0.440 590 S N 5.287 121.142 115.700 0.258 0.000 2.575 590 S HA 0.263 4.734 4.470 0.002 0.000 0.295 590 S C -0.048 174.764 174.600 0.353 0.000 1.267 590 S CA -0.192 58.155 58.200 0.244 0.000 1.074 590 S CB -0.110 63.217 63.200 0.211 0.000 0.829 590 S HN 1.002 nan 8.310 nan 0.000 0.497 591 H N 0.179 119.290 119.070 0.068 0.000 2.990 591 H HA 0.657 5.214 4.556 0.002 0.000 0.336 591 H C -1.544 173.591 175.328 -0.321 0.000 1.306 591 H CA -1.299 54.759 56.048 0.018 0.000 1.118 591 H CB 1.239 31.058 29.762 0.095 0.000 1.856 591 H HN 0.649 nan 8.280 nan 0.000 0.538 592 K N 1.343 121.527 120.400 -0.359 0.000 2.535 592 K HA 0.324 4.645 4.320 0.002 0.000 0.251 592 K C -1.204 175.351 176.600 -0.076 0.000 0.942 592 K CA -0.872 55.149 56.287 -0.443 0.000 0.798 592 K CB 3.428 35.388 32.500 -0.901 0.000 1.267 592 K HN 0.327 nan 8.250 nan 0.000 0.434 593 V N 2.672 122.566 119.914 -0.032 0.000 2.439 593 V HA 0.002 4.123 4.120 0.002 0.000 0.271 593 V C 0.289 176.389 176.094 0.011 0.000 1.040 593 V CA -0.240 62.081 62.300 0.036 0.000 1.002 593 V CB 0.664 32.510 31.823 0.038 0.000 1.000 593 V HN 0.672 nan 8.190 nan 0.000 0.477 594 D N 3.563 123.982 120.400 0.031 0.000 2.372 594 D HA 0.133 4.774 4.640 0.002 0.000 0.243 594 D C 0.374 176.667 176.300 -0.012 0.000 1.121 594 D CA 0.067 54.075 54.000 0.013 0.000 0.898 594 D CB 1.384 42.181 40.800 -0.005 0.000 1.202 594 D HN 0.592 nan 8.370 nan 0.000 0.428 595 D N -0.179 120.214 120.400 -0.012 0.000 2.409 595 D HA -0.037 4.604 4.640 0.002 0.000 0.301 595 D C -0.022 176.265 176.300 -0.021 0.000 1.095 595 D CA 0.179 54.165 54.000 -0.023 0.000 0.929 595 D CB -0.208 40.581 40.800 -0.018 0.000 1.623 595 D HN 0.517 nan 8.370 nan 0.000 0.506 596 S N 2.044 117.740 115.700 -0.006 0.000 3.116 596 S HA -0.079 4.392 4.470 0.002 0.000 0.373 596 S C 0.541 175.135 174.600 -0.010 0.000 1.193 596 S CA -0.158 58.042 58.200 0.000 0.000 0.972 596 S CB -0.189 63.021 63.200 0.016 0.000 0.671 596 S HN 0.208 nan 8.310 nan 0.000 0.488 597 S N 2.839 118.536 115.700 -0.006 0.000 2.564 597 S HA 0.670 5.141 4.470 0.002 0.000 0.278 597 S C 0.665 175.264 174.600 -0.002 0.000 1.333 597 S CA -0.214 57.981 58.200 -0.008 0.000 1.048 597 S CB 0.437 63.635 63.200 -0.004 0.000 0.900 597 S HN 2.335 nan 8.310 nan 0.000 0.505 598 G N 1.261 110.059 108.800 -0.003 0.000 2.326 598 G HA2 0.325 4.286 3.960 0.002 0.000 0.413 598 G HA3 0.325 4.286 3.960 0.002 0.000 0.413 598 G C -0.529 174.373 174.900 0.004 0.000 1.444 598 G CA -0.566 44.537 45.100 0.005 0.000 1.002 598 G HN 1.578 nan 8.290 nan 0.000 0.649 599 S N 0.195 115.906 115.700 0.018 0.000 2.566 599 S HA 0.261 4.732 4.470 0.002 0.000 0.280 599 S C 1.849 176.463 174.600 0.023 0.000 1.343 599 S CA 0.183 58.401 58.200 0.030 0.000 1.036 599 S CB 1.140 64.365 63.200 0.041 0.000 0.866 599 S HN 1.660 nan 8.310 nan 0.000 0.526 600 I N 1.871 122.462 120.570 0.035 0.000 2.143 600 I HA -0.211 3.960 4.170 0.002 0.000 0.245 600 I C 2.149 178.302 176.117 0.060 0.000 1.068 600 I CA 2.275 63.580 61.300 0.008 0.000 1.326 600 I CB -1.080 36.983 38.000 0.104 0.000 1.028 600 I HN 0.878 nan 8.210 nan 0.000 0.412 601 G N 0.214 109.095 108.800 0.136 0.000 2.470 601 G HA2 -0.272 3.689 3.960 0.002 0.000 0.220 601 G HA3 -0.272 3.689 3.960 0.002 0.000 0.220 601 G C 1.799 176.771 174.900 0.120 0.000 1.121 601 G CA 0.694 45.896 45.100 0.170 0.000 0.766 601 G HN 0.462 nan 8.290 nan 0.000 0.553 602 R N -0.021 120.521 120.500 0.070 0.000 2.127 602 R HA 0.071 4.412 4.340 0.002 0.000 0.217 602 R C 2.626 178.952 176.300 0.045 0.000 1.074 602 R CA 0.160 56.292 56.100 0.053 0.000 0.991 602 R CB -0.107 30.215 30.300 0.035 0.000 0.895 602 R HN 0.156 nan 8.270 nan 0.000 0.450 603 R N -0.065 120.435 120.500 -0.001 0.000 2.064 603 R HA -0.142 4.200 4.340 0.002 0.000 0.228 603 R C 2.038 178.337 176.300 -0.002 0.000 1.144 603 R CA 1.415 57.481 56.100 -0.057 0.000 0.932 603 R CB -1.092 29.088 30.300 -0.199 0.000 0.833 603 R HN 0.279 nan 8.270 nan 0.000 0.429 604 Y N 1.405 121.744 120.300 0.064 0.000 2.538 604 Y HA -0.151 4.401 4.550 0.002 0.000 0.287 604 Y C 2.381 178.308 175.900 0.045 0.000 1.157 604 Y CA 0.570 58.704 58.100 0.056 0.000 1.338 604 Y CB -0.830 37.654 38.460 0.040 0.000 0.970 604 Y HN 0.194 nan 8.280 nan 0.000 0.564 605 A N 0.179 123.105 122.820 0.178 0.000 1.877 605 A HA -0.204 4.117 4.320 0.002 0.000 0.216 605 A C 2.363 180.027 177.584 0.133 0.000 1.186 605 A CA 1.710 53.822 52.037 0.125 0.000 0.620 605 A CB -0.475 18.579 19.000 0.091 0.000 0.822 605 A HN 0.383 nan 8.150 nan 0.000 0.443 606 R N -1.233 119.344 120.500 0.129 0.000 2.092 606 R HA -0.056 4.285 4.340 0.002 0.000 0.231 606 R C 2.322 178.722 176.300 0.167 0.000 1.119 606 R CA 1.643 57.828 56.100 0.141 0.000 0.970 606 R CB -0.639 29.733 30.300 0.119 0.000 0.864 606 R HN 0.504 nan 8.270 nan 0.000 0.440 607 T N 0.987 115.648 114.554 0.178 0.000 2.684 607 T HA -0.144 4.207 4.350 0.002 0.000 0.267 607 T C 0.996 175.788 174.700 0.153 0.000 1.036 607 T CA 1.797 64.008 62.100 0.185 0.000 1.148 607 T CB -0.250 68.787 68.868 0.282 0.000 0.863 607 T HN 0.236 nan 8.240 nan 0.000 0.436 608 D N 0.761 121.259 120.400 0.163 0.000 2.144 608 D HA -0.042 4.599 4.640 0.002 0.000 0.200 608 D C 2.270 178.711 176.300 0.236 0.000 0.978 608 D CA 0.566 54.662 54.000 0.161 0.000 0.833 608 D CB -0.327 40.531 40.800 0.098 0.000 0.961 608 D HN 0.358 nan 8.370 nan 0.000 0.470 609 E N 0.463 120.799 120.200 0.226 0.000 2.136 609 E HA -0.181 4.171 4.350 0.002 0.000 0.202 609 E C 1.805 178.679 176.600 0.457 0.000 1.019 609 E CA 0.898 57.465 56.400 0.279 0.000 0.819 609 E CB -0.104 29.742 29.700 0.242 0.000 0.739 609 E HN 0.508 nan 8.360 nan 0.000 0.458 610 I N -3.564 117.256 120.570 0.417 0.000 3.856 610 I HA 0.391 4.562 4.170 0.002 0.000 0.333 610 I C 0.824 177.240 176.117 0.499 0.000 1.525 610 I CA 0.219 61.863 61.300 0.573 0.000 1.173 610 I CB 0.137 38.346 38.000 0.349 0.000 1.175 610 I HN 0.009 nan 8.210 nan 0.000 0.424 611 G N 1.891 110.917 108.800 0.377 0.000 2.283 611 G HA2 -0.233 3.728 3.960 0.002 0.000 0.280 611 G HA3 -0.233 3.728 3.960 0.002 0.000 0.280 611 G C 0.179 175.169 174.900 0.151 0.000 1.029 611 G CA 0.316 45.578 45.100 0.270 0.000 0.840 611 G HN 0.382 nan 8.290 nan 0.000 0.505 612 V N 0.499 120.403 119.914 -0.015 0.000 2.450 612 V HA 0.308 4.429 4.120 0.002 0.000 0.281 612 V C 2.061 178.057 176.094 -0.164 0.000 1.019 612 V CA 0.774 62.954 62.300 -0.200 0.000 1.062 612 V CB 0.142 31.792 31.823 -0.289 0.000 0.979 612 V HN 0.949 nan 8.190 nan 0.000 0.477 613 A N 5.483 128.135 122.820 -0.279 0.000 1.894 613 A HA -0.143 4.178 4.320 0.002 0.000 0.220 613 A C 0.712 177.790 177.584 -0.845 0.000 1.237 613 A CA 2.049 53.682 52.037 -0.673 0.000 0.660 613 A CB -0.359 18.058 19.000 -0.970 0.000 0.835 613 A HN 0.645 nan 8.150 nan 0.000 0.461 614 F N -3.156 116.799 119.950 0.007 0.000 2.764 614 F HA 0.682 5.210 4.527 0.002 0.000 0.347 614 F C 0.483 176.318 175.800 0.058 0.000 1.151 614 F CA -0.882 57.102 58.000 -0.028 0.000 1.021 614 F CB 1.084 40.082 39.000 -0.003 0.000 1.438 614 F HN 0.282 nan 8.300 nan 0.000 0.516 615 G N -0.186 108.779 108.800 0.274 0.000 2.759 615 G HA2 0.568 4.529 3.960 0.002 0.000 0.297 615 G HA3 0.568 4.529 3.960 0.002 0.000 0.297 615 G C -2.542 172.519 174.900 0.267 0.000 1.434 615 G CA -0.675 44.622 45.100 0.329 0.000 0.980 615 G HN 0.476 nan 8.290 nan 0.000 0.531 616 V N 1.500 121.589 119.914 0.292 0.000 2.444 616 V HA 0.528 4.649 4.120 0.002 0.000 0.294 616 V C 0.088 176.309 176.094 0.212 0.000 1.022 616 V CA -0.598 61.816 62.300 0.190 0.000 0.850 616 V CB 1.716 33.606 31.823 0.113 0.000 0.992 616 V HN 0.791 nan 8.190 nan 0.000 0.426 617 T N 6.692 121.358 114.554 0.186 0.000 2.771 617 T HA 0.603 4.954 4.350 0.002 0.000 0.291 617 T C -0.115 174.624 174.700 0.065 0.000 0.954 617 T CA -0.008 62.186 62.100 0.156 0.000 1.045 617 T CB 0.577 69.558 68.868 0.189 0.000 0.917 617 T HN 0.399 nan 8.240 nan 0.000 0.484 618 I N 4.359 124.977 120.570 0.080 0.000 2.382 618 I HA 0.318 4.489 4.170 0.002 0.000 0.285 618 I C -0.187 175.982 176.117 0.086 0.000 1.007 618 I CA -0.860 60.459 61.300 0.032 0.000 1.142 618 I CB 1.172 39.206 38.000 0.056 0.000 1.289 618 I HN 0.688 nan 8.210 nan 0.000 0.453 619 D N 4.387 124.791 120.400 0.006 0.000 2.624 619 D HA 0.352 4.993 4.640 0.002 0.000 0.257 619 D C 0.670 176.866 176.300 -0.174 0.000 1.167 619 D CA -0.517 53.554 54.000 0.119 0.000 1.086 619 D CB 0.441 41.393 40.800 0.253 0.000 1.210 619 D HN 0.193 nan 8.370 nan 0.000 0.631 620 F N -0.081 119.878 119.950 0.016 0.000 2.113 620 F HA 0.016 4.544 4.527 0.001 0.000 0.297 620 F C 1.793 177.495 175.800 -0.163 0.000 1.103 620 F CA 1.076 59.019 58.000 -0.095 0.000 1.248 620 F CB -0.753 38.283 39.000 0.059 0.000 0.999 620 F HN 0.207 nan 8.300 nan 0.000 0.475 621 D N -0.520 119.962 120.400 0.135 0.000 2.221 621 D HA -0.145 4.497 4.640 0.002 0.000 0.204 621 D C 2.144 178.426 176.300 -0.029 0.000 0.982 621 D CA 1.719 55.756 54.000 0.061 0.000 0.857 621 D CB -0.474 40.388 40.800 0.102 0.000 0.934 621 D HN 0.201 nan 8.370 nan 0.000 0.475 622 T N -0.496 113.973 114.554 -0.142 0.000 2.737 622 T HA -0.095 4.256 4.350 0.002 0.000 0.265 622 T C 2.163 176.626 174.700 -0.395 0.000 1.038 622 T CA 0.897 62.866 62.100 -0.219 0.000 1.144 622 T CB -0.319 68.347 68.868 -0.337 0.000 0.866 622 T HN 0.002 nan 8.240 nan 0.000 0.434 623 V N 2.308 121.754 119.914 -0.780 0.000 2.302 623 V HA -0.109 4.012 4.120 0.002 0.000 0.243 623 V C 2.311 178.298 176.094 -0.179 0.000 1.036 623 V CA 1.234 62.953 62.300 -0.969 0.000 1.020 623 V CB -0.630 30.558 31.823 -1.059 0.000 0.657 623 V HN 0.409 nan 8.190 nan 0.000 0.453 624 N N 0.590 119.235 118.700 -0.091 0.000 2.046 624 N HA -0.073 4.668 4.740 0.002 0.000 0.190 624 N C 0.822 176.375 175.510 0.071 0.000 1.085 624 N CA 0.714 53.790 53.050 0.042 0.000 0.876 624 N CB -0.515 38.009 38.487 0.062 0.000 1.052 624 N HN 0.293 nan 8.380 nan 0.000 0.432 625 K N 0.486 120.906 120.400 0.032 0.000 2.611 625 K HA -0.034 4.287 4.320 0.002 0.000 0.280 625 K C 0.174 176.700 176.600 -0.123 0.000 0.964 625 K CA 0.693 56.973 56.287 -0.012 0.000 1.029 625 K CB 0.091 32.592 32.500 0.001 0.000 0.862 625 K HN 0.229 nan 8.250 nan 0.000 0.501 626 T N 2.820 117.273 114.554 -0.168 0.000 2.881 626 T HA 0.521 4.872 4.350 0.002 0.000 0.290 626 T C -2.316 172.283 174.700 -0.168 0.000 1.000 626 T CA -1.891 60.014 62.100 -0.325 0.000 0.978 626 T CB 0.741 69.450 68.868 -0.266 0.000 0.997 626 T HN 0.347 nan 8.240 nan 0.000 0.443 627 P HA 0.258 nan 4.420 nan 0.000 0.271 627 P C -0.763 176.378 177.300 -0.265 0.000 1.238 627 P CA -0.350 62.620 63.100 -0.217 0.000 0.794 627 P CB 0.272 31.934 31.700 -0.063 0.000 0.959 628 H N -0.136 118.983 119.070 0.083 0.000 2.640 628 H HA 0.328 4.885 4.556 0.002 0.000 0.297 628 H C 0.159 175.526 175.328 0.065 0.000 1.073 628 H CA -0.130 55.980 56.048 0.102 0.000 1.305 628 H CB 0.305 30.245 29.762 0.296 0.000 1.404 628 H HN 0.390 nan 8.280 nan 0.000 0.459 629 T N 0.325 114.939 114.554 0.100 0.000 2.887 629 T HA 0.803 5.154 4.350 0.002 0.000 0.288 629 T C 0.078 174.766 174.700 -0.021 0.000 1.021 629 T CA -0.973 61.149 62.100 0.036 0.000 1.000 629 T CB 2.373 71.246 68.868 0.009 0.000 1.034 629 T HN 0.599 nan 8.240 nan 0.000 0.467 630 A N 1.487 124.275 122.820 -0.054 0.000 2.347 630 A HA 0.851 5.172 4.320 0.002 0.000 0.301 630 A C 0.064 177.535 177.584 -0.190 0.000 1.163 630 A CA -0.969 51.011 52.037 -0.094 0.000 0.860 630 A CB 1.010 19.993 19.000 -0.028 0.000 1.367 630 A HN 0.862 nan 8.150 nan 0.000 0.461 631 T N 1.187 115.616 114.554 -0.208 0.000 2.767 631 T HA 0.467 4.818 4.350 0.002 0.000 0.288 631 T C -0.760 173.899 174.700 -0.069 0.000 0.963 631 T CA -0.030 61.900 62.100 -0.284 0.000 1.019 631 T CB 0.666 69.318 68.868 -0.359 0.000 0.923 631 T HN 0.484 nan 8.240 nan 0.000 0.468 632 L N 4.420 125.623 121.223 -0.033 0.000 2.280 632 L HA 0.553 4.894 4.340 0.002 0.000 0.287 632 L C -0.004 176.986 176.870 0.199 0.000 1.023 632 L CA -0.470 54.415 54.840 0.074 0.000 0.819 632 L CB 0.671 42.757 42.059 0.045 0.000 1.212 632 L HN 0.547 nan 8.230 nan 0.000 0.420 633 R N 4.064 124.602 120.500 0.064 0.000 2.393 633 R HA 0.307 4.648 4.340 0.002 0.000 0.315 633 R C -0.858 175.277 176.300 -0.276 0.000 0.952 633 R CA -0.599 55.444 56.100 -0.095 0.000 0.842 633 R CB 0.921 30.998 30.300 -0.372 0.000 1.163 633 R HN 0.728 nan 8.270 nan 0.000 0.450 634 D N 3.732 123.744 120.400 -0.646 0.000 2.351 634 D HA 0.005 4.646 4.640 0.002 0.000 0.251 634 D C 0.727 176.738 176.300 -0.482 0.000 1.137 634 D CA 0.047 53.545 54.000 -0.836 0.000 0.879 634 D CB 1.226 40.897 40.800 -1.881 0.000 1.181 634 D HN 0.639 nan 8.370 nan 0.000 0.448 635 R N 3.511 123.808 120.500 -0.338 0.000 2.096 635 R HA -0.168 4.173 4.340 0.002 0.000 0.229 635 R C 1.117 177.166 176.300 -0.420 0.000 1.134 635 R CA 1.781 57.697 56.100 -0.307 0.000 0.917 635 R CB -0.122 30.057 30.300 -0.202 0.000 0.832 635 R HN 0.577 nan 8.270 nan 0.000 0.430 636 D N 0.256 120.438 120.400 -0.363 0.000 2.103 636 D HA -0.173 4.468 4.640 0.002 0.000 0.190 636 D C 1.961 177.992 176.300 -0.449 0.000 0.997 636 D CA 2.201 55.943 54.000 -0.430 0.000 0.833 636 D CB -0.347 40.380 40.800 -0.122 0.000 0.961 636 D HN 0.430 nan 8.370 nan 0.000 0.447 637 S N -0.163 115.337 115.700 -0.333 0.000 2.436 637 S HA -0.060 4.411 4.470 0.002 0.000 0.228 637 S C 1.563 176.040 174.600 -0.205 0.000 1.014 637 S CA 0.709 58.774 58.200 -0.225 0.000 0.950 637 S CB -0.020 63.103 63.200 -0.129 0.000 0.784 637 S HN 0.327 nan 8.310 nan 0.000 0.504 638 M N -0.856 118.582 119.600 -0.270 0.000 2.939 638 M HA -0.187 4.294 4.480 0.002 0.000 0.194 638 M C -0.294 175.962 176.300 -0.074 0.000 0.617 638 M CA 0.699 55.874 55.300 -0.209 0.000 0.734 638 M CB -1.334 31.158 32.600 -0.181 0.000 2.637 638 M HN 0.377 nan 8.290 nan 0.000 0.316 639 R N 1.316 121.826 120.500 0.017 0.000 2.490 639 R HA 0.424 4.765 4.340 0.002 0.000 0.280 639 R C 0.178 176.703 176.300 0.375 0.000 1.077 639 R CA 0.081 56.318 56.100 0.227 0.000 1.065 639 R CB 0.648 31.194 30.300 0.410 0.000 1.003 639 R HN 0.340 nan 8.270 nan 0.000 0.470 640 Q N 1.453 121.462 119.800 0.347 0.000 2.306 640 Q HA 0.566 4.907 4.340 0.002 0.000 0.269 640 Q C -0.659 175.529 176.000 0.312 0.000 1.053 640 Q CA -0.972 55.050 55.803 0.366 0.000 0.879 640 Q CB 2.060 31.009 28.738 0.352 0.000 1.344 640 Q HN 0.311 nan 8.270 nan 0.000 0.464 641 I N 1.426 122.108 120.570 0.187 0.000 2.571 641 I HA 0.310 4.481 4.170 0.002 0.000 0.289 641 I C -0.803 175.280 176.117 -0.057 0.000 1.115 641 I CA -0.551 60.780 61.300 0.052 0.000 1.045 641 I CB 1.885 39.817 38.000 -0.114 0.000 1.238 641 I HN 0.525 nan 8.210 nan 0.000 0.424 642 R N 4.326 124.817 120.500 -0.016 0.000 2.308 642 R HA 0.789 5.130 4.340 0.002 0.000 0.305 642 R C -0.808 175.474 176.300 -0.029 0.000 1.053 642 R CA -0.114 55.917 56.100 -0.116 0.000 0.957 642 R CB 1.029 31.346 30.300 0.028 0.000 1.022 642 R HN 0.809 nan 8.270 nan 0.000 0.461 643 A N 3.142 125.919 122.820 -0.072 0.000 2.594 643 A HA 0.269 4.590 4.320 0.002 0.000 0.296 643 A C -1.216 176.355 177.584 -0.021 0.000 1.061 643 A CA -0.829 51.190 52.037 -0.031 0.000 0.689 643 A CB 1.075 19.924 19.000 -0.252 0.000 1.280 643 A HN 0.668 nan 8.150 nan 0.000 0.406 644 E N 1.594 121.821 120.200 0.044 0.000 3.102 644 E HA -0.107 4.244 4.350 0.002 0.000 0.235 644 E C 1.039 177.658 176.600 0.032 0.000 0.995 644 E CA 0.259 56.693 56.400 0.056 0.000 0.950 644 E CB 0.153 29.900 29.700 0.079 0.000 0.905 644 E HN 0.635 nan 8.360 nan 0.000 0.553 645 I N 3.522 124.129 120.570 0.062 0.000 2.761 645 I HA -0.342 3.829 4.170 0.002 0.000 0.266 645 I C 2.021 178.164 176.117 0.042 0.000 1.239 645 I CA 1.442 62.776 61.300 0.057 0.000 1.451 645 I CB 0.064 38.140 38.000 0.128 0.000 1.096 645 I HN 0.383 nan 8.210 nan 0.000 0.465 646 S N -0.405 115.324 115.700 0.047 0.000 2.406 646 S HA -0.095 4.376 4.470 0.002 0.000 0.224 646 S C 1.709 176.329 174.600 0.032 0.000 1.030 646 S CA 0.659 58.881 58.200 0.036 0.000 0.958 646 S CB -0.256 62.969 63.200 0.042 0.000 0.811 646 S HN 0.573 nan 8.310 nan 0.000 0.489 647 E N 1.463 121.676 120.200 0.022 0.000 2.112 647 E HA 0.105 4.457 4.350 0.002 0.000 0.190 647 E C 1.987 178.551 176.600 -0.061 0.000 0.979 647 E CA 0.717 57.120 56.400 0.005 0.000 0.814 647 E CB -0.442 29.281 29.700 0.038 0.000 0.762 647 E HN 0.411 nan 8.360 nan 0.000 0.460 648 L N 0.995 122.162 121.223 -0.093 0.000 2.082 648 L HA -0.263 4.078 4.340 0.002 0.000 0.223 648 L C -0.677 176.127 176.870 -0.109 0.000 1.086 648 L CA 1.872 56.633 54.840 -0.132 0.000 0.793 648 L CB -1.556 40.449 42.059 -0.090 0.000 0.896 648 L HN 0.156 nan 8.230 nan 0.000 0.441 649 P HA -0.218 nan 4.420 nan 0.000 0.210 649 P C 1.876 179.026 177.300 -0.249 0.000 1.185 649 P CA 2.205 65.285 63.100 -0.034 0.000 0.924 649 P CB -0.155 31.642 31.700 0.162 0.000 0.786 650 S N -1.166 114.296 115.700 -0.397 0.000 2.423 650 S HA -0.205 4.266 4.470 0.002 0.000 0.238 650 S C 1.944 176.364 174.600 -0.300 0.000 1.028 650 S CA 1.383 59.221 58.200 -0.604 0.000 1.000 650 S CB -1.661 61.373 63.200 -0.275 0.000 0.797 650 S HN 0.035 nan 8.310 nan 0.000 0.487 651 I N 0.989 121.435 120.570 -0.207 0.000 2.206 651 I HA -0.089 4.082 4.170 0.002 0.000 0.239 651 I C 2.446 178.454 176.117 -0.182 0.000 1.078 651 I CA 1.014 62.209 61.300 -0.175 0.000 1.367 651 I CB -0.538 37.323 38.000 -0.232 0.000 1.078 651 I HN 0.201 nan 8.210 nan 0.000 0.413 652 V N 0.870 120.673 119.914 -0.185 0.000 2.453 652 V HA -0.354 3.767 4.120 0.002 0.000 0.252 652 V C 2.437 178.498 176.094 -0.055 0.000 1.068 652 V CA 2.103 64.301 62.300 -0.170 0.000 1.070 652 V CB -0.947 30.848 31.823 -0.047 0.000 0.664 652 V HN 0.539 nan 8.190 nan 0.000 0.461 653 Q N -0.041 119.711 119.800 -0.080 0.000 1.993 653 Q HA -0.247 4.094 4.340 0.002 0.000 0.202 653 Q C 2.146 178.145 176.000 -0.002 0.000 0.984 653 Q CA 2.065 57.849 55.803 -0.032 0.000 0.837 653 Q CB -0.246 28.402 28.738 -0.150 0.000 0.902 653 Q HN 0.611 nan 8.270 nan 0.000 0.423 654 D N 0.256 120.626 120.400 -0.049 0.000 2.190 654 D HA -0.183 4.458 4.640 0.002 0.000 0.200 654 D C 2.043 178.360 176.300 0.028 0.000 0.992 654 D CA 1.078 55.072 54.000 -0.009 0.000 0.854 654 D CB -0.007 40.778 40.800 -0.026 0.000 0.936 654 D HN 0.280 nan 8.370 nan 0.000 0.462 655 L N 0.775 121.999 121.223 0.001 0.000 2.005 655 L HA -0.143 4.198 4.340 0.002 0.000 0.207 655 L C 2.643 179.657 176.870 0.240 0.000 1.072 655 L CA 1.405 56.274 54.840 0.049 0.000 0.744 655 L CB -0.364 41.534 42.059 -0.269 0.000 0.895 655 L HN -0.060 nan 8.230 nan 0.000 0.433 656 A N -0.164 122.849 122.820 0.322 0.000 1.933 656 A HA -0.206 4.116 4.320 0.002 0.000 0.218 656 A C 1.872 179.569 177.584 0.187 0.000 1.175 656 A CA 1.927 54.169 52.037 0.341 0.000 0.628 656 A CB -0.890 18.311 19.000 0.334 0.000 0.814 656 A HN 0.600 nan 8.150 nan 0.000 0.444 657 N N -0.561 118.222 118.700 0.138 0.000 2.521 657 N HA 0.212 4.953 4.740 0.002 0.000 0.188 657 N C 0.885 176.449 175.510 0.091 0.000 1.146 657 N CA 0.290 53.400 53.050 0.100 0.000 0.893 657 N CB -0.019 38.514 38.487 0.077 0.000 0.975 657 N HN 0.623 nan 8.380 nan 0.000 0.451 658 G N 1.341 110.207 108.800 0.110 0.000 2.198 658 G HA2 -0.327 3.634 3.960 0.002 0.000 0.260 658 G HA3 -0.327 3.634 3.960 0.002 0.000 0.260 658 G C 0.390 175.337 174.900 0.077 0.000 1.025 658 G CA 0.309 45.468 45.100 0.098 0.000 0.769 658 G HN 0.520 nan 8.290 nan 0.000 0.507 659 N N -1.138 117.603 118.700 0.069 0.000 2.353 659 N HA 0.419 5.161 4.740 0.002 0.000 0.185 659 N C 0.191 175.729 175.510 0.047 0.000 1.098 659 N CA 0.175 53.255 53.050 0.051 0.000 0.872 659 N CB 0.548 39.059 38.487 0.039 0.000 0.970 659 N HN 0.463 nan 8.380 nan 0.000 0.467 660 I N -0.809 119.797 120.570 0.059 0.000 3.004 660 I HA 0.141 4.312 4.170 0.002 0.000 0.305 660 I C -0.823 175.347 176.117 0.088 0.000 1.312 660 I CA -0.406 60.928 61.300 0.056 0.000 0.992 660 I CB 2.411 40.431 38.000 0.034 0.000 1.282 660 I HN -0.251 nan 8.210 nan 0.000 0.449 661 T N 3.539 118.146 114.554 0.087 0.000 2.943 661 T HA 0.112 4.463 4.350 0.002 0.000 0.284 661 T C 0.606 175.409 174.700 0.172 0.000 1.015 661 T CA -0.154 62.028 62.100 0.137 0.000 1.042 661 T CB 1.335 70.267 68.868 0.107 0.000 1.055 661 T HN 0.701 nan 8.240 nan 0.000 0.500 662 W N 1.464 122.783 121.300 0.033 0.000 2.358 662 W HA -0.173 4.488 4.660 0.002 0.000 0.303 662 W C 2.051 178.582 176.519 0.019 0.000 1.208 662 W CA 1.377 58.732 57.345 0.017 0.000 1.274 662 W CB -0.289 29.199 29.460 0.046 0.000 1.138 662 W HN 0.842 nan 8.180 nan 0.000 0.515 663 A N 1.103 123.944 122.820 0.035 0.000 1.865 663 A HA -0.292 4.029 4.320 0.002 0.000 0.217 663 A C 1.654 179.164 177.584 -0.124 0.000 1.191 663 A CA 2.265 54.257 52.037 -0.076 0.000 0.623 663 A CB -1.296 17.717 19.000 0.021 0.000 0.826 663 A HN 0.302 nan 8.150 nan 0.000 0.444 664 D N -0.164 120.203 120.400 -0.055 0.000 2.149 664 D HA -0.152 4.489 4.640 0.002 0.000 0.194 664 D C 2.069 178.320 176.300 -0.082 0.000 1.001 664 D CA 1.713 55.684 54.000 -0.049 0.000 0.849 664 D CB -0.595 40.201 40.800 -0.006 0.000 0.939 664 D HN 0.262 nan 8.370 nan 0.000 0.449 665 V N 1.276 121.101 119.914 -0.149 0.000 2.295 665 V HA -0.226 3.895 4.120 0.002 0.000 0.246 665 V C 2.312 178.286 176.094 -0.201 0.000 1.049 665 V CA 1.689 63.892 62.300 -0.163 0.000 1.024 665 V CB -0.524 31.040 31.823 -0.431 0.000 0.648 665 V HN 0.192 nan 8.190 nan 0.000 0.447 666 E N 0.076 120.031 120.200 -0.408 0.000 2.204 666 E HA -0.175 4.176 4.350 0.002 0.000 0.195 666 E C 2.200 178.710 176.600 -0.150 0.000 0.990 666 E CA 1.181 57.397 56.400 -0.306 0.000 0.821 666 E CB -0.228 29.266 29.700 -0.344 0.000 0.750 666 E HN 0.633 nan 8.360 nan 0.000 0.477 667 A N 0.932 123.675 122.820 -0.129 0.000 1.935 667 A HA -0.052 4.269 4.320 0.002 0.000 0.214 667 A C 1.989 179.502 177.584 -0.118 0.000 1.178 667 A CA 0.643 52.621 52.037 -0.098 0.000 0.640 667 A CB -0.014 18.939 19.000 -0.078 0.000 0.825 667 A HN 0.033 nan 8.150 nan 0.000 0.447 668 R N -1.886 118.533 120.500 -0.135 0.000 2.062 668 R HA 0.097 4.438 4.340 0.002 0.000 0.226 668 R C -0.211 175.802 176.300 -0.479 0.000 1.125 668 R CA 0.726 56.646 56.100 -0.299 0.000 0.966 668 R CB -0.185 29.929 30.300 -0.310 0.000 0.861 668 R HN 0.533 nan 8.270 nan 0.000 0.433 669 Y N 0.905 121.132 120.300 -0.122 0.000 2.496 669 Y HA 0.328 4.879 4.550 0.002 0.000 0.331 669 Y C -1.997 173.849 175.900 -0.089 0.000 1.140 669 Y CA -3.395 54.645 58.100 -0.101 0.000 1.166 669 Y CB 0.491 38.881 38.460 -0.116 0.000 1.249 669 Y HN -0.048 nan 8.280 nan 0.000 0.479 670 P HA 0.094 nan 4.420 nan 0.000 0.271 670 P C -0.227 177.127 177.300 0.091 0.000 1.216 670 P CA 0.090 63.232 63.100 0.070 0.000 0.776 670 P CB 1.033 32.783 31.700 0.082 0.000 0.881 671 L N 2.426 123.692 121.223 0.072 0.000 2.440 671 L HA 0.349 4.691 4.340 0.002 0.000 0.184 671 L C 0.684 177.698 176.870 0.241 0.000 1.111 671 L CA 0.249 55.150 54.840 0.101 0.000 0.910 671 L CB -0.323 41.771 42.059 0.059 0.000 1.455 671 L HN 0.363 nan 8.230 nan 0.000 0.523 672 F N -0.704 119.266 119.950 0.034 0.000 2.689 672 F HA 0.276 4.804 4.527 0.002 0.000 0.314 672 F C -0.638 175.193 175.800 0.052 0.000 1.068 672 F CA -0.733 57.295 58.000 0.046 0.000 1.023 672 F CB 1.066 40.101 39.000 0.058 0.000 1.264 672 F HN 0.368 nan 8.300 nan 0.000 0.474 673 E N 0.000 119.909 120.200 -0.485 0.000 2.725 673 E HA 0.000 4.351 4.350 0.002 0.000 0.291 673 E CA 0.000 56.248 56.400 -0.253 0.000 0.976 673 E CB 0.000 29.588 29.700 -0.187 0.000 0.812 673 E HN 0.000 nan 8.360 nan 0.000 0.440