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 1xnw_1_D DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYIVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.325 176.300 0.041 0.000 2.045 10 D CA 0.000 54.030 54.000 0.050 0.000 0.868 10 D CB 0.000 40.844 40.800 0.074 0.000 0.688 11 I N -0.687 119.924 120.570 0.068 0.000 4.811 11 I HA 0.275 4.445 4.170 -0.000 0.000 0.388 11 I C 0.046 176.080 176.117 -0.140 0.000 1.133 11 I CA 0.285 61.559 61.300 -0.043 0.000 1.400 11 I CB 0.175 38.117 38.000 -0.096 0.000 2.153 11 I HN 0.366 nan 8.210 nan 0.000 0.695 12 H N -0.284 118.780 119.070 -0.011 0.000 2.586 12 H HA 0.384 4.940 4.556 -0.000 0.000 0.273 12 H C 0.814 176.136 175.328 -0.010 0.000 0.997 12 H CA 0.810 56.852 56.048 -0.010 0.000 1.177 12 H CB 0.134 29.891 29.762 -0.008 0.000 1.471 12 H HN 0.304 nan 8.280 nan 0.000 0.538 13 T N -3.595 111.007 114.554 0.080 0.000 2.936 13 T HA 0.157 4.507 4.350 -0.000 0.000 0.282 13 T C 1.408 176.115 174.700 0.013 0.000 1.003 13 T CA -0.522 61.604 62.100 0.043 0.000 1.005 13 T CB 1.653 70.542 68.868 0.035 0.000 1.097 13 T HN -0.025 nan 8.240 nan 0.000 0.532 14 T N 0.796 115.355 114.554 0.008 0.000 2.951 14 T HA 0.113 4.463 4.350 -0.000 0.000 0.268 14 T C 2.228 176.923 174.700 -0.007 0.000 1.073 14 T CA 0.985 63.083 62.100 -0.002 0.000 1.134 14 T CB -0.604 68.264 68.868 -0.001 0.000 0.884 14 T HN 0.783 nan 8.240 nan 0.000 0.479 15 A N 1.036 123.854 122.820 -0.002 0.000 2.016 15 A HA 0.291 4.611 4.320 -0.000 0.000 0.217 15 A C 2.472 180.050 177.584 -0.010 0.000 1.162 15 A CA 1.413 53.447 52.037 -0.005 0.000 0.662 15 A CB -0.861 18.138 19.000 -0.001 0.000 0.812 15 A HN 0.491 nan 8.150 nan 0.000 0.450 16 G N -0.281 108.513 108.800 -0.009 0.000 2.426 16 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.214 16 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.214 16 G C 1.572 176.451 174.900 -0.035 0.000 1.156 16 G CA 0.671 45.761 45.100 -0.016 0.000 0.802 16 G HN 0.518 nan 8.290 nan 0.000 0.534 17 K N 0.011 120.387 120.400 -0.040 0.000 2.211 17 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 17 K C 2.319 178.885 176.600 -0.057 0.000 1.047 17 K CA 0.562 56.815 56.287 -0.057 0.000 0.935 17 K CB -0.169 32.300 32.500 -0.051 0.000 0.728 17 K HN 0.263 nan 8.250 nan 0.000 0.452 18 L N 0.087 121.286 121.223 -0.041 0.000 2.034 18 L HA -0.076 4.264 4.340 -0.000 0.000 0.203 18 L C 2.616 179.460 176.870 -0.044 0.000 1.074 18 L CA 0.997 55.813 54.840 -0.039 0.000 0.748 18 L CB -0.765 41.280 42.059 -0.024 0.000 0.905 18 L HN 0.166 nan 8.230 nan 0.000 0.439 19 A N 0.178 122.978 122.820 -0.034 0.000 1.958 19 A HA -0.335 3.985 4.320 -0.000 0.000 0.221 19 A C 1.901 179.457 177.584 -0.046 0.000 1.178 19 A CA 2.388 54.406 52.037 -0.031 0.000 0.642 19 A CB -0.766 18.221 19.000 -0.021 0.000 0.816 19 A HN 0.486 nan 8.150 nan 0.000 0.453 20 D N -0.698 119.666 120.400 -0.060 0.000 2.104 20 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 20 D C 1.765 177.993 176.300 -0.121 0.000 0.994 20 D CA 1.399 55.350 54.000 -0.081 0.000 0.830 20 D CB -0.244 40.502 40.800 -0.090 0.000 0.959 20 D HN 0.277 nan 8.370 nan 0.000 0.452 21 L N 0.972 122.114 121.223 -0.135 0.000 1.989 21 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 21 L C 2.285 179.070 176.870 -0.141 0.000 1.071 21 L CA 1.808 56.533 54.840 -0.191 0.000 0.749 21 L CB -0.664 41.316 42.059 -0.132 0.000 0.890 21 L HN -0.043 nan 8.230 nan 0.000 0.431 22 R N -0.857 119.600 120.500 -0.072 0.000 2.133 22 R HA -0.231 4.109 4.340 -0.000 0.000 0.247 22 R C 2.526 178.805 176.300 -0.035 0.000 1.151 22 R CA 1.905 57.984 56.100 -0.035 0.000 0.971 22 R CB -0.421 29.868 30.300 -0.019 0.000 0.866 22 R HN 0.426 nan 8.270 nan 0.000 0.447 23 R N 0.670 121.138 120.500 -0.053 0.000 2.081 23 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 23 R C 2.186 178.453 176.300 -0.056 0.000 1.131 23 R CA 1.407 57.485 56.100 -0.036 0.000 0.960 23 R CB 0.018 30.296 30.300 -0.037 0.000 0.856 23 R HN 0.215 nan 8.270 nan 0.000 0.436 24 R N 0.650 121.054 120.500 -0.160 0.000 2.075 24 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 24 R C 2.447 178.626 176.300 -0.201 0.000 1.126 24 R CA 1.578 57.494 56.100 -0.307 0.000 0.963 24 R CB -0.695 29.193 30.300 -0.687 0.000 0.858 24 R HN 0.417 nan 8.270 nan 0.000 0.435 25 I N -0.032 120.503 120.570 -0.059 0.000 2.850 25 I HA -0.142 4.028 4.170 -0.000 0.000 0.266 25 I C 1.927 178.078 176.117 0.056 0.000 1.257 25 I CA 1.387 62.761 61.300 0.124 0.000 1.465 25 I CB -0.053 38.023 38.000 0.127 0.000 1.091 25 I HN 0.011 nan 8.210 nan 0.000 0.467 26 E N 2.490 122.723 120.200 0.055 0.000 2.022 26 E HA -0.216 4.134 4.350 -0.000 0.000 0.190 26 E C 2.115 178.848 176.600 0.222 0.000 0.973 26 E CA 1.877 58.362 56.400 0.142 0.000 0.816 26 E CB -0.348 29.424 29.700 0.119 0.000 0.781 26 E HN 0.714 nan 8.360 nan 0.000 0.456 27 E N 0.354 120.657 120.200 0.172 0.000 2.401 27 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 27 E C 1.711 178.442 176.600 0.218 0.000 1.023 27 E CA 0.911 57.438 56.400 0.212 0.000 0.859 27 E CB -0.092 29.726 29.700 0.197 0.000 0.780 27 E HN 0.253 nan 8.360 nan 0.000 0.523 28 A N 2.255 125.157 122.820 0.137 0.000 1.874 28 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 28 A C 2.501 180.105 177.584 0.034 0.000 1.189 28 A CA 1.825 53.940 52.037 0.129 0.000 0.615 28 A CB -0.980 18.059 19.000 0.065 0.000 0.830 28 A HN 0.423 nan 8.150 nan 0.000 0.443 29 T N -3.609 110.886 114.554 -0.098 0.000 3.160 29 T HA -0.011 4.339 4.350 -0.000 0.000 0.257 29 T C 0.516 174.961 174.700 -0.424 0.000 1.147 29 T CA 0.942 62.881 62.100 -0.268 0.000 1.064 29 T CB -0.432 68.207 68.868 -0.382 0.000 0.949 29 T HN 0.508 nan 8.240 nan 0.000 0.526 30 H N -0.116 118.986 119.070 0.055 0.000 2.591 30 H HA 0.653 5.209 4.556 -0.000 0.000 0.241 30 H C 1.454 176.806 175.328 0.040 0.000 1.292 30 H CA -0.134 55.938 56.048 0.041 0.000 1.022 30 H CB 0.354 30.138 29.762 0.038 0.000 1.875 30 H HN 0.413 nan 8.280 nan 0.000 0.570 31 A N 0.845 123.727 122.820 0.103 0.000 1.898 31 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 31 A C 1.810 179.399 177.584 0.009 0.000 1.181 31 A CA 1.062 53.142 52.037 0.071 0.000 0.620 31 A CB -0.552 18.485 19.000 0.062 0.000 0.819 31 A HN 0.451 nan 8.150 nan 0.000 0.442 32 G N -0.328 108.472 108.800 -0.001 0.000 2.684 32 G HA2 0.378 4.338 3.960 -0.000 0.000 0.255 32 G HA3 0.378 4.338 3.960 -0.000 0.000 0.255 32 G C 0.435 175.318 174.900 -0.029 0.000 1.219 32 G CA 0.372 45.443 45.100 -0.049 0.000 0.901 32 G HN 0.882 nan 8.290 nan 0.000 0.548 33 S N -0.847 114.818 115.700 -0.058 0.000 2.603 33 S HA 0.447 4.917 4.470 -0.000 0.000 0.268 33 S C 1.521 176.114 174.600 -0.012 0.000 1.317 33 S CA 0.171 58.348 58.200 -0.038 0.000 1.012 33 S CB 1.570 64.738 63.200 -0.054 0.000 0.926 33 S HN 1.305 nan 8.310 nan 0.000 0.539 34 A N 1.322 124.139 122.820 -0.005 0.000 2.125 34 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 34 A C 2.245 179.837 177.584 0.013 0.000 1.156 34 A CA 1.300 53.340 52.037 0.006 0.000 0.671 34 A CB -0.603 18.394 19.000 -0.005 0.000 0.794 34 A HN 0.925 nan 8.150 nan 0.000 0.459 35 R N -1.008 119.494 120.500 0.003 0.000 2.105 35 R HA 0.163 4.503 4.340 -0.000 0.000 0.214 35 R C 2.320 178.625 176.300 0.007 0.000 1.091 35 R CA 0.975 57.081 56.100 0.009 0.000 1.007 35 R CB -0.272 30.029 30.300 0.003 0.000 0.912 35 R HN 0.381 nan 8.270 nan 0.000 0.450 36 A N 0.555 123.365 122.820 -0.016 0.000 1.940 36 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 36 A C 2.130 179.706 177.584 -0.014 0.000 1.176 36 A CA 1.714 53.733 52.037 -0.029 0.000 0.631 36 A CB -0.555 18.394 19.000 -0.085 0.000 0.814 36 A HN 0.205 nan 8.150 nan 0.000 0.446 37 V N -0.264 119.637 119.914 -0.021 0.000 2.270 37 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 37 V C 2.385 178.446 176.094 -0.055 0.000 1.043 37 V CA 2.190 64.447 62.300 -0.071 0.000 1.014 37 V CB -0.934 30.891 31.823 0.002 0.000 0.645 37 V HN 0.626 nan 8.190 nan 0.000 0.447 38 E N -0.021 120.213 120.200 0.056 0.000 2.049 38 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 38 E C 2.409 179.062 176.600 0.088 0.000 1.007 38 E CA 1.421 57.886 56.400 0.110 0.000 0.809 38 E CB -0.161 29.586 29.700 0.077 0.000 0.749 38 E HN 0.373 nan 8.360 nan 0.000 0.450 39 K N 0.614 121.050 120.400 0.059 0.000 2.001 39 K HA -0.245 4.075 4.320 -0.000 0.000 0.214 39 K C 2.179 178.822 176.600 0.072 0.000 1.050 39 K CA 1.485 57.815 56.287 0.072 0.000 0.934 39 K CB -0.589 31.961 32.500 0.083 0.000 0.718 39 K HN 0.059 nan 8.250 nan 0.000 0.443 40 Q N 0.524 120.349 119.800 0.041 0.000 2.029 40 Q HA -0.204 4.136 4.340 -0.000 0.000 0.209 40 Q C 2.021 178.016 176.000 -0.008 0.000 0.999 40 Q CA 2.158 57.963 55.803 0.004 0.000 0.857 40 Q CB -0.471 28.211 28.738 -0.095 0.000 0.926 40 Q HN 0.580 nan 8.270 nan 0.000 0.415 41 H N -1.043 118.064 119.070 0.061 0.000 2.352 41 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 41 H C 1.818 177.167 175.328 0.036 0.000 1.097 41 H CA 0.899 56.973 56.048 0.042 0.000 1.311 41 H CB -0.154 29.631 29.762 0.038 0.000 1.377 41 H HN 0.460 nan 8.280 nan 0.000 0.504 42 A N 1.308 124.224 122.820 0.159 0.000 1.986 42 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 42 A C 1.877 179.505 177.584 0.074 0.000 1.171 42 A CA 1.776 53.873 52.037 0.099 0.000 0.640 42 A CB -0.251 18.797 19.000 0.080 0.000 0.811 42 A HN 0.424 nan 8.150 nan 0.000 0.451 43 K N -1.603 118.838 120.400 0.067 0.000 2.444 43 K HA 0.273 4.593 4.320 -0.000 0.000 0.193 43 K C 1.242 177.867 176.600 0.042 0.000 1.024 43 K CA 0.474 56.787 56.287 0.043 0.000 1.077 43 K CB 0.009 32.523 32.500 0.023 0.000 0.833 43 K HN 0.642 nan 8.250 nan 0.000 0.517 44 G N 1.920 110.759 108.800 0.066 0.000 2.268 44 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.240 44 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.240 44 G C -0.095 174.847 174.900 0.070 0.000 1.010 44 G CA -0.100 45.038 45.100 0.063 0.000 0.618 44 G HN 0.290 nan 8.290 nan 0.000 0.516 45 K N 0.322 120.753 120.400 0.051 0.000 2.380 45 K HA 0.492 4.812 4.320 -0.000 0.000 0.267 45 K C 0.058 176.707 176.600 0.082 0.000 0.990 45 K CA -0.074 56.234 56.287 0.035 0.000 0.946 45 K CB 0.686 33.179 32.500 -0.011 0.000 0.937 45 K HN 0.162 nan 8.250 nan 0.000 0.491 46 L N 0.946 122.213 121.223 0.072 0.000 2.352 46 L HA 0.245 4.585 4.340 -0.000 0.000 0.269 46 L C 0.718 177.604 176.870 0.026 0.000 1.034 46 L CA -0.361 54.548 54.840 0.115 0.000 0.806 46 L CB 1.376 43.497 42.059 0.102 0.000 1.244 46 L HN 0.783 nan 8.230 nan 0.000 0.447 47 T N -1.184 113.378 114.554 0.013 0.000 2.856 47 T HA 0.335 4.685 4.350 -0.000 0.000 0.306 47 T C 1.319 176.023 174.700 0.007 0.000 1.062 47 T CA -0.018 62.069 62.100 -0.022 0.000 1.083 47 T CB 0.867 69.727 68.868 -0.013 0.000 0.984 47 T HN 0.677 nan 8.240 nan 0.000 0.542 48 A N 2.537 125.364 122.820 0.010 0.000 1.873 48 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 48 A C 2.554 180.106 177.584 -0.053 0.000 1.193 48 A CA 1.777 53.813 52.037 -0.002 0.000 0.629 48 A CB -0.822 18.189 19.000 0.018 0.000 0.826 48 A HN 0.945 nan 8.150 nan 0.000 0.447 49 R N -0.468 119.999 120.500 -0.055 0.000 2.193 49 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 49 R C 1.807 178.048 176.300 -0.099 0.000 1.110 49 R CA 1.331 57.370 56.100 -0.101 0.000 0.988 49 R CB -0.217 30.042 30.300 -0.068 0.000 0.871 49 R HN 0.704 nan 8.270 nan 0.000 0.458 50 E N -0.155 120.021 120.200 -0.039 0.000 2.230 50 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 50 E C 1.810 178.384 176.600 -0.043 0.000 0.987 50 E CA 0.405 56.796 56.400 -0.016 0.000 0.841 50 E CB 0.217 29.952 29.700 0.058 0.000 0.783 50 E HN 0.074 nan 8.360 nan 0.000 0.481 51 R N 0.641 121.107 120.500 -0.057 0.000 2.090 51 R HA 0.018 4.358 4.340 -0.000 0.000 0.228 51 R C 2.096 178.321 176.300 -0.124 0.000 1.110 51 R CA 0.802 56.863 56.100 -0.065 0.000 0.973 51 R CB -0.245 30.025 30.300 -0.051 0.000 0.869 51 R HN 0.164 nan 8.270 nan 0.000 0.440 52 I N 0.204 120.649 120.570 -0.208 0.000 2.179 52 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 52 I C 1.632 177.572 176.117 -0.294 0.000 1.088 52 I CA 1.582 62.672 61.300 -0.350 0.000 1.357 52 I CB -0.275 37.306 38.000 -0.698 0.000 1.051 52 I HN 0.160 nan 8.210 nan 0.000 0.409 53 D N 0.735 120.999 120.400 -0.226 0.000 2.117 53 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 53 D C 1.967 178.218 176.300 -0.081 0.000 0.987 53 D CA 0.942 54.863 54.000 -0.132 0.000 0.829 53 D CB 0.017 40.768 40.800 -0.081 0.000 0.961 53 D HN 0.082 nan 8.370 nan 0.000 0.460 54 L N -0.081 121.100 121.223 -0.070 0.000 2.201 54 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 54 L C 1.845 178.687 176.870 -0.047 0.000 1.105 54 L CA 1.157 55.971 54.840 -0.043 0.000 0.775 54 L CB -0.400 41.642 42.059 -0.028 0.000 0.913 54 L HN 0.143 nan 8.230 nan 0.000 0.440 55 L N -1.163 120.018 121.223 -0.070 0.000 2.062 55 L HA 0.103 4.443 4.340 -0.000 0.000 0.202 55 L C 0.953 177.789 176.870 -0.057 0.000 1.079 55 L CA 1.042 55.843 54.840 -0.066 0.000 0.755 55 L CB -0.314 41.694 42.059 -0.085 0.000 0.913 55 L HN -0.003 nan 8.230 nan 0.000 0.445 56 L N 0.729 121.912 121.223 -0.065 0.000 2.473 56 L HA 0.071 4.411 4.340 -0.000 0.000 0.268 56 L C 0.035 176.900 176.870 -0.008 0.000 1.215 56 L CA -0.488 54.338 54.840 -0.023 0.000 0.823 56 L CB -0.200 41.860 42.059 0.000 0.000 1.099 56 L HN 0.188 nan 8.230 nan 0.000 0.483 57 D N 1.322 121.729 120.400 0.012 0.000 2.443 57 D HA -0.011 4.629 4.640 -0.000 0.000 0.239 57 D C 0.097 176.409 176.300 0.021 0.000 1.136 57 D CA 0.156 54.162 54.000 0.011 0.000 0.879 57 D CB 0.685 41.495 40.800 0.017 0.000 1.195 57 D HN 0.442 nan 8.370 nan 0.000 0.443 58 E N 0.242 120.448 120.200 0.010 0.000 2.694 58 E HA 0.067 4.417 4.350 -0.000 0.000 0.250 58 E C 1.029 177.644 176.600 0.025 0.000 0.963 58 E CA 0.446 56.854 56.400 0.014 0.000 0.949 58 E CB 0.262 29.965 29.700 0.005 0.000 0.911 58 E HN 0.748 nan 8.360 nan 0.000 0.500 59 G N 3.079 111.901 108.800 0.037 0.000 2.155 59 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 59 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 59 G C 0.794 175.718 174.900 0.040 0.000 0.983 59 G CA 0.773 45.894 45.100 0.035 0.000 0.676 59 G HN 0.628 nan 8.290 nan 0.000 0.528 60 S N -1.246 114.493 115.700 0.066 0.000 2.524 60 S HA 0.485 4.955 4.470 -0.000 0.000 0.215 60 S C 0.666 175.319 174.600 0.088 0.000 0.986 60 S CA 0.028 58.272 58.200 0.073 0.000 0.911 60 S CB 0.251 63.500 63.200 0.082 0.000 0.805 60 S HN 0.990 nan 8.310 nan 0.000 0.501 61 F N 3.025 122.930 119.950 -0.075 0.000 2.467 61 F HA 0.572 5.099 4.527 -0.000 0.000 0.362 61 F C -0.604 175.057 175.800 -0.232 0.000 1.090 61 F CA -1.089 56.826 58.000 -0.141 0.000 1.202 61 F CB 1.044 39.975 39.000 -0.115 0.000 1.113 61 F HN -0.070 nan 8.300 nan 0.000 0.541 62 V N 6.636 125.848 119.914 -1.169 0.000 2.443 62 V HA 0.229 4.349 4.120 -0.000 0.000 0.293 62 V C -0.234 174.967 176.094 -1.489 0.000 1.021 62 V CA -0.985 60.602 62.300 -1.189 0.000 0.848 62 V CB 1.471 32.595 31.823 -1.165 0.000 0.998 62 V HN 0.710 nan 8.190 nan 0.000 0.424 63 E N 4.058 123.515 120.200 -1.238 0.000 2.331 63 E HA 0.555 4.905 4.350 -0.000 0.000 0.272 63 E C -1.286 175.000 176.600 -0.524 0.000 1.036 63 E CA -0.388 55.508 56.400 -0.840 0.000 0.864 63 E CB 1.273 30.653 29.700 -0.533 0.000 1.035 63 E HN 0.512 nan 8.360 nan 0.000 0.408 64 L N 3.197 124.204 121.223 -0.360 0.000 2.346 64 L HA 0.266 4.606 4.340 -0.000 0.000 0.274 64 L C -0.343 176.408 176.870 -0.199 0.000 1.007 64 L CA -0.694 53.987 54.840 -0.264 0.000 0.818 64 L CB 1.562 43.490 42.059 -0.220 0.000 1.284 64 L HN 0.587 nan 8.230 nan 0.000 0.424 65 D N 0.500 120.793 120.400 -0.180 0.000 2.945 65 D HA -0.217 4.423 4.640 -0.000 0.000 0.225 65 D C 1.137 177.340 176.300 -0.161 0.000 1.158 65 D CA 1.429 55.353 54.000 -0.126 0.000 0.805 65 D CB -0.658 40.095 40.800 -0.078 0.000 1.098 65 D HN 0.824 nan 8.370 nan 0.000 0.426 66 E N -0.550 119.450 120.200 -0.333 0.000 2.038 66 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 66 E C 1.122 177.535 176.600 -0.311 0.000 1.000 66 E CA 1.143 57.272 56.400 -0.450 0.000 0.803 66 E CB -0.074 29.118 29.700 -0.847 0.000 0.750 66 E HN 0.327 nan 8.360 nan 0.000 0.448 67 F N 0.874 120.824 119.950 -0.000 0.000 2.696 67 F HA 0.381 4.908 4.527 -0.000 0.000 0.296 67 F C 0.413 176.354 175.800 0.236 0.000 1.181 67 F CA -0.126 57.951 58.000 0.129 0.000 1.411 67 F CB -0.395 38.591 39.000 -0.024 0.000 1.014 67 F HN -0.012 nan 8.300 nan 0.000 0.512 68 A N 1.095 124.057 122.820 0.236 0.000 2.316 68 A HA 0.810 5.130 4.320 -0.000 0.000 0.284 68 A C 0.496 178.164 177.584 0.140 0.000 1.115 68 A CA -0.479 51.650 52.037 0.154 0.000 0.812 68 A CB 0.765 19.807 19.000 0.071 0.000 1.064 68 A HN 0.367 nan 8.150 nan 0.000 0.489 69 R N -0.240 120.304 120.500 0.073 0.000 2.855 69 R HA 0.445 4.785 4.340 -0.000 0.000 0.266 69 R C -0.925 175.382 176.300 0.012 0.000 1.034 69 R CA -0.780 55.316 56.100 -0.006 0.000 0.944 69 R CB 1.465 31.686 30.300 -0.131 0.000 1.219 69 R HN 1.032 nan 8.270 nan 0.000 0.474 70 H N -0.487 118.599 119.070 0.027 0.000 2.530 70 H HA 0.455 5.011 4.556 -0.000 0.000 0.342 70 H C -0.070 175.256 175.328 -0.005 0.000 1.312 70 H CA -0.907 55.146 56.048 0.008 0.000 1.376 70 H CB 0.931 30.690 29.762 -0.006 0.000 1.692 70 H HN 0.533 nan 8.280 nan 0.000 0.622 71 R N 0.244 120.974 120.500 0.384 0.000 2.637 71 R HA 0.251 4.591 4.340 -0.000 0.000 0.446 71 R C -0.648 175.787 176.300 0.224 0.000 1.024 71 R CA -0.433 55.810 56.100 0.239 0.000 1.080 71 R CB -0.227 30.126 30.300 0.089 0.000 1.421 71 R HN 0.388 nan 8.270 nan 0.000 0.593 72 S N 1.594 117.467 115.700 0.289 0.000 2.430 72 S HA 0.128 4.598 4.470 -0.000 0.000 0.289 72 S C 1.165 175.805 174.600 0.065 0.000 1.143 72 S CA -0.266 57.928 58.200 -0.010 0.000 1.067 72 S CB 1.028 64.043 63.200 -0.308 0.000 0.964 72 S HN 0.428 nan 8.310 nan 0.000 0.485 73 T N 1.685 116.274 114.554 0.057 0.000 3.107 73 T HA 0.170 4.520 4.350 -0.000 0.000 0.249 73 T C 0.467 175.206 174.700 0.065 0.000 1.096 73 T CA -0.329 61.811 62.100 0.066 0.000 1.012 73 T CB -0.326 68.570 68.868 0.047 0.000 0.977 73 T HN 0.524 nan 8.240 nan 0.000 0.527 74 N N 2.106 120.841 118.700 0.059 0.000 2.447 74 N HA 0.111 4.851 4.740 -0.000 0.000 0.263 74 N C -0.267 175.399 175.510 0.260 0.000 1.226 74 N CA 0.258 53.395 53.050 0.144 0.000 0.906 74 N CB -0.199 38.336 38.487 0.079 0.000 1.060 74 N HN 0.401 nan 8.380 nan 0.000 0.468 75 F N 0.249 120.175 119.950 -0.041 0.000 3.067 75 F HA -0.253 4.274 4.527 -0.000 0.000 0.279 75 F C 1.474 177.262 175.800 -0.020 0.000 0.945 75 F CA 0.426 58.406 58.000 -0.033 0.000 0.948 75 F CB -1.735 37.238 39.000 -0.046 0.000 0.898 75 F HN 0.795 nan 8.300 nan 0.000 0.746 76 G N 0.716 109.574 108.800 0.097 0.000 2.390 76 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.299 76 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.299 76 G C 0.829 175.790 174.900 0.102 0.000 1.002 76 G CA 0.332 45.476 45.100 0.074 0.000 0.979 76 G HN 0.619 nan 8.290 nan 0.000 0.513 77 L N -0.061 121.224 121.223 0.104 0.000 2.492 77 L HA 0.035 4.375 4.340 -0.000 0.000 0.223 77 L C 2.206 179.214 176.870 0.230 0.000 1.132 77 L CA 1.125 56.030 54.840 0.108 0.000 0.850 77 L CB -0.131 41.882 42.059 -0.076 0.000 0.966 77 L HN 0.514 nan 8.230 nan 0.000 0.454 78 D N -0.096 120.416 120.400 0.187 0.000 2.378 78 D HA -0.137 4.503 4.640 -0.000 0.000 0.222 78 D C 1.692 178.033 176.300 0.067 0.000 0.980 78 D CA 0.846 54.926 54.000 0.133 0.000 0.907 78 D CB 0.199 41.050 40.800 0.084 0.000 0.899 78 D HN 0.271 nan 8.370 nan 0.000 0.527 79 A N 0.519 123.394 122.820 0.093 0.000 2.169 79 A HA -0.019 4.301 4.320 -0.000 0.000 0.212 79 A C 0.735 178.363 177.584 0.074 0.000 1.153 79 A CA 0.081 52.156 52.037 0.064 0.000 0.756 79 A CB 0.023 19.062 19.000 0.065 0.000 0.813 79 A HN 0.074 nan 8.150 nan 0.000 0.471 80 N N 0.764 119.555 118.700 0.151 0.000 2.716 80 N HA 0.224 4.964 4.740 -0.000 0.000 0.253 80 N C -1.143 174.507 175.510 0.234 0.000 1.170 80 N CA -0.172 52.987 53.050 0.182 0.000 0.807 80 N CB 1.053 39.717 38.487 0.294 0.000 1.183 80 N HN 0.247 nan 8.380 nan 0.000 0.524 81 R N 1.797 122.298 120.500 0.002 0.000 2.860 81 R HA 0.261 4.601 4.340 -0.000 0.000 0.282 81 R C -2.320 173.889 176.300 -0.151 0.000 1.408 81 R CA -1.276 54.737 56.100 -0.144 0.000 1.636 81 R CB 0.935 31.040 30.300 -0.325 0.000 1.187 81 R HN 0.315 nan 8.270 nan 0.000 0.611 82 P HA -0.079 nan 4.420 nan 0.000 0.268 82 P C -0.594 176.706 177.300 0.001 0.000 1.205 82 P CA 0.097 63.172 63.100 -0.041 0.000 0.771 82 P CB 0.557 32.246 31.700 -0.018 0.000 0.858 83 Y N 1.046 121.384 120.300 0.065 0.000 2.526 83 Y HA 0.275 4.825 4.550 -0.000 0.000 0.330 83 Y C 2.072 178.010 175.900 0.063 0.000 1.156 83 Y CA 1.784 59.941 58.100 0.095 0.000 1.419 83 Y CB 0.133 38.694 38.460 0.169 0.000 1.250 83 Y HN 0.808 nan 8.280 nan 0.000 0.540 84 G N 2.008 110.936 108.800 0.213 0.000 2.279 84 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.223 84 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.223 84 G C 0.542 175.495 174.900 0.088 0.000 1.015 84 G CA 0.240 45.398 45.100 0.096 0.000 0.621 84 G HN 0.799 nan 8.290 nan 0.000 0.506 85 D N -0.991 119.499 120.400 0.150 0.000 2.983 85 D HA 0.108 4.748 4.640 -0.000 0.000 0.225 85 D C 1.925 178.421 176.300 0.326 0.000 1.174 85 D CA 3.428 57.572 54.000 0.240 0.000 0.831 85 D CB -1.299 39.636 40.800 0.225 0.000 1.104 85 D HN 2.236 nan 8.370 nan 0.000 0.421 86 G N -2.976 105.959 108.800 0.226 0.000 2.253 86 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.209 86 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.209 86 G C 0.128 175.051 174.900 0.038 0.000 0.997 86 G CA 0.245 45.519 45.100 0.291 0.000 0.640 86 G HN 1.188 nan 8.290 nan 0.000 0.496 87 V N 1.026 120.811 119.914 -0.214 0.000 2.841 87 V HA 0.716 4.836 4.120 -0.000 0.000 0.310 87 V C -0.602 175.415 176.094 -0.129 0.000 1.090 87 V CA -0.653 61.467 62.300 -0.299 0.000 0.930 87 V CB 2.293 33.683 31.823 -0.721 0.000 1.014 87 V HN 0.558 nan 8.190 nan 0.000 0.425 88 V N 5.693 125.579 119.914 -0.046 0.000 2.318 88 V HA 0.524 4.644 4.120 -0.000 0.000 0.271 88 V C 0.336 176.473 176.094 0.070 0.000 1.030 88 V CA -0.035 62.271 62.300 0.011 0.000 0.844 88 V CB 1.083 32.913 31.823 0.012 0.000 1.015 88 V HN 1.026 nan 8.190 nan 0.000 0.460 89 T N 1.660 116.254 114.554 0.067 0.000 2.885 89 T HA 0.950 5.300 4.350 -0.000 0.000 0.285 89 T C 0.021 174.780 174.700 0.097 0.000 1.019 89 T CA -0.074 62.094 62.100 0.113 0.000 1.010 89 T CB 2.233 71.135 68.868 0.057 0.000 1.022 89 T HN 1.069 nan 8.240 nan 0.000 0.466 90 G N 0.806 109.697 108.800 0.151 0.000 2.427 90 G HA2 0.534 4.494 3.960 -0.000 0.000 0.306 90 G HA3 0.534 4.494 3.960 -0.000 0.000 0.306 90 G C -2.028 172.933 174.900 0.102 0.000 1.280 90 G CA -0.655 44.419 45.100 -0.043 0.000 0.837 90 G HN 1.199 nan 8.290 nan 0.000 0.482 91 Y N -1.384 118.892 120.300 -0.040 0.000 2.576 91 Y HA 0.920 5.470 4.550 -0.000 0.000 0.346 91 Y C 0.231 176.195 175.900 0.108 0.000 1.018 91 Y CA -1.053 57.085 58.100 0.064 0.000 1.050 91 Y CB 1.815 40.300 38.460 0.042 0.000 1.280 91 Y HN 1.551 nan 8.280 nan 0.000 0.474 92 G N -0.025 109.030 108.800 0.425 0.000 2.488 92 G HA2 0.495 4.455 3.960 -0.000 0.000 0.301 92 G HA3 0.495 4.455 3.960 -0.000 0.000 0.301 92 G C -1.436 173.593 174.900 0.216 0.000 1.339 92 G CA -0.505 44.778 45.100 0.304 0.000 0.803 92 G HN 1.056 nan 8.290 nan 0.000 0.482 93 T N -2.444 112.195 114.554 0.140 0.000 2.944 93 T HA 0.735 5.085 4.350 -0.000 0.000 0.284 93 T C -0.766 173.957 174.700 0.038 0.000 1.010 93 T CA -0.830 61.317 62.100 0.079 0.000 1.025 93 T CB 1.938 70.841 68.868 0.059 0.000 1.079 93 T HN 1.050 nan 8.240 nan 0.000 0.516 94 V N 2.195 122.112 119.914 0.005 0.000 2.509 94 V HA 0.340 4.460 4.120 -0.000 0.000 0.289 94 V C -0.682 175.388 176.094 -0.040 0.000 1.026 94 V CA -0.805 61.480 62.300 -0.025 0.000 0.872 94 V CB 1.040 32.835 31.823 -0.047 0.000 1.017 94 V HN 1.125 nan 8.190 nan 0.000 0.436 95 D N 4.058 124.437 120.400 -0.035 0.000 2.800 95 D HA -0.188 4.452 4.640 -0.000 0.000 0.232 95 D C 1.299 177.590 176.300 -0.016 0.000 1.137 95 D CA 1.605 55.584 54.000 -0.034 0.000 0.718 95 D CB -1.006 39.763 40.800 -0.052 0.000 1.084 95 D HN 1.468 nan 8.370 nan 0.000 0.432 96 G N -0.206 108.590 108.800 -0.008 0.000 2.205 96 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.261 96 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.261 96 G C 0.289 175.188 174.900 -0.003 0.000 0.980 96 G CA 0.596 45.696 45.100 0.001 0.000 0.632 96 G HN 0.531 nan 8.290 nan 0.000 0.533 97 R N 0.991 121.482 120.500 -0.015 0.000 2.532 97 R HA 0.505 4.845 4.340 -0.000 0.000 0.295 97 R C -2.697 173.598 176.300 -0.009 0.000 0.968 97 R CA -2.036 54.049 56.100 -0.026 0.000 0.916 97 R CB 1.844 32.110 30.300 -0.057 0.000 1.124 97 R HN 0.182 nan 8.270 nan 0.000 0.463 98 P HA 0.052 nan 4.420 nan 0.000 0.268 98 P C -0.586 176.731 177.300 0.028 0.000 1.204 98 P CA 0.004 63.118 63.100 0.023 0.000 0.768 98 P CB 0.989 32.683 31.700 -0.010 0.000 0.842 99 V N 2.352 122.316 119.914 0.083 0.000 2.932 99 V HA 0.593 4.713 4.120 -0.000 0.000 0.307 99 V C -0.236 175.958 176.094 0.167 0.000 1.147 99 V CA -0.855 61.494 62.300 0.081 0.000 0.951 99 V CB 2.208 34.051 31.823 0.034 0.000 1.031 99 V HN 0.768 nan 8.190 nan 0.000 0.426 100 A N 3.045 125.960 122.820 0.159 0.000 2.324 100 A HA 0.964 5.284 4.320 -0.000 0.000 0.330 100 A C -0.978 176.674 177.584 0.114 0.000 1.165 100 A CA -0.667 51.500 52.037 0.217 0.000 0.813 100 A CB 1.818 20.982 19.000 0.273 0.000 1.197 100 A HN 1.409 nan 8.150 nan 0.000 0.484 101 V N 3.100 123.084 119.914 0.117 0.000 3.000 101 V HA 0.751 4.871 4.120 -0.000 0.000 0.300 101 V C -1.829 174.300 176.094 0.058 0.000 1.251 101 V CA -0.849 61.442 62.300 -0.014 0.000 0.972 101 V CB 1.777 33.561 31.823 -0.065 0.000 1.065 101 V HN 1.207 nan 8.190 nan 0.000 0.431 102 F N 3.544 123.507 119.950 0.023 0.000 2.520 102 F HA 0.882 5.409 4.527 -0.000 0.000 0.322 102 F C -0.231 175.551 175.800 -0.029 0.000 1.103 102 F CA -0.704 57.289 58.000 -0.012 0.000 0.926 102 F CB 2.147 41.133 39.000 -0.024 0.000 1.154 102 F HN 0.470 nan 8.300 nan 0.000 0.453 103 S N 3.065 118.882 115.700 0.195 0.000 2.640 103 S HA 0.275 4.745 4.470 -0.000 0.000 0.320 103 S C -0.823 173.854 174.600 0.128 0.000 1.097 103 S CA -0.601 57.664 58.200 0.108 0.000 1.092 103 S CB 0.683 63.870 63.200 -0.021 0.000 0.988 103 S HN 0.785 nan 8.310 nan 0.000 0.470 104 Q N 2.819 122.741 119.800 0.203 0.000 2.271 104 Q HA 0.091 4.431 4.340 -0.000 0.000 0.273 104 Q C -0.755 175.354 176.000 0.182 0.000 1.051 104 Q CA 0.046 55.965 55.803 0.192 0.000 0.901 104 Q CB 0.546 29.471 28.738 0.311 0.000 1.174 104 Q HN 0.531 nan 8.270 nan 0.000 0.385 105 D N 2.682 123.183 120.400 0.168 0.000 2.468 105 D HA 0.014 4.654 4.640 -0.000 0.000 0.218 105 D C 0.087 176.508 176.300 0.201 0.000 1.155 105 D CA -0.392 53.699 54.000 0.151 0.000 0.924 105 D CB 0.084 40.935 40.800 0.085 0.000 1.029 105 D HN 0.460 nan 8.370 nan 0.000 0.515 106 F N 2.672 122.666 119.950 0.074 0.000 2.307 106 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 106 F C 2.194 178.015 175.800 0.035 0.000 1.076 106 F CA 1.643 59.681 58.000 0.064 0.000 1.383 106 F CB -0.218 38.806 39.000 0.040 0.000 1.055 106 F HN 0.361 nan 8.300 nan 0.000 0.526 107 T N -1.523 112.984 114.554 -0.078 0.000 3.284 107 T HA 0.166 4.516 4.350 -0.000 0.000 0.252 107 T C 0.126 174.694 174.700 -0.220 0.000 1.144 107 T CA 0.253 62.232 62.100 -0.201 0.000 1.021 107 T CB -1.083 67.740 68.868 -0.075 0.000 0.984 107 T HN -0.078 nan 8.240 nan 0.000 0.545 108 V N 1.996 121.796 119.914 -0.189 0.000 2.462 108 V HA 0.432 4.552 4.120 -0.000 0.000 0.288 108 V C -0.440 175.597 176.094 -0.095 0.000 1.020 108 V CA -1.053 61.119 62.300 -0.213 0.000 0.857 108 V CB 0.298 32.071 31.823 -0.085 0.000 1.013 108 V HN 0.408 nan 8.190 nan 0.000 0.431 109 F N 3.182 123.073 119.950 -0.098 0.000 3.084 109 F HA -0.224 4.303 4.527 0.000 0.000 0.286 109 F C 1.667 177.384 175.800 -0.139 0.000 0.855 109 F CA 1.512 59.455 58.000 -0.095 0.000 1.091 109 F CB -1.612 37.355 39.000 -0.055 0.000 1.177 109 F HN 0.987 nan 8.300 nan 0.000 0.542 110 G N -1.103 107.601 108.800 -0.160 0.000 2.155 110 G HA2 0.135 4.095 3.960 -0.000 0.000 0.257 110 G HA3 0.135 4.095 3.960 -0.000 0.000 0.257 110 G C 1.492 176.422 174.900 0.050 0.000 0.983 110 G CA 1.018 45.968 45.100 -0.251 0.000 0.676 110 G HN 2.189 nan 8.290 nan 0.000 0.528 111 G N -1.240 107.610 108.800 0.083 0.000 2.249 111 G HA2 0.183 4.143 3.960 -0.000 0.000 0.273 111 G HA3 0.183 4.143 3.960 -0.000 0.000 0.273 111 G C 0.625 175.582 174.900 0.096 0.000 1.036 111 G CA 1.133 46.378 45.100 0.242 0.000 0.824 111 G HN 2.307 nan 8.290 nan 0.000 0.504 112 A N 0.298 123.084 122.820 -0.056 0.000 2.366 112 A HA 0.666 4.986 4.320 -0.000 0.000 0.272 112 A C 0.798 177.945 177.584 -0.729 0.000 1.135 112 A CA -0.567 51.327 52.037 -0.240 0.000 0.804 112 A CB 0.700 19.623 19.000 -0.129 0.000 1.064 112 A HN 1.064 nan 8.150 nan 0.000 0.499 113 L N 2.776 123.533 121.223 -0.776 0.000 2.559 113 L HA 0.329 4.669 4.340 -0.000 0.000 0.274 113 L C 0.763 177.215 176.870 -0.697 0.000 1.205 113 L CA 1.365 55.569 54.840 -1.060 0.000 0.907 113 L CB -0.096 41.419 42.059 -0.906 0.000 1.153 113 L HN 0.866 nan 8.230 nan 0.000 0.490 114 G N 3.531 111.994 108.800 -0.560 0.000 3.042 114 G HA2 0.331 4.291 3.960 -0.000 0.000 0.278 114 G HA3 0.331 4.291 3.960 -0.000 0.000 0.278 114 G C 0.380 175.181 174.900 -0.166 0.000 1.371 114 G CA -0.142 44.782 45.100 -0.294 0.000 1.009 114 G HN 0.687 nan 8.290 nan 0.000 0.523 115 E N -1.201 118.919 120.200 -0.134 0.000 2.015 115 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 115 E C 2.451 179.036 176.600 -0.025 0.000 0.991 115 E CA 1.331 57.679 56.400 -0.087 0.000 0.802 115 E CB -0.091 29.565 29.700 -0.074 0.000 0.759 115 E HN 0.162 nan 8.360 nan 0.000 0.447 116 V N 0.689 120.621 119.914 0.030 0.000 2.626 116 V HA -0.208 3.912 4.120 -0.000 0.000 0.252 116 V C 1.999 178.134 176.094 0.068 0.000 1.067 116 V CA 1.588 63.922 62.300 0.056 0.000 1.081 116 V CB -0.612 31.272 31.823 0.101 0.000 0.686 116 V HN 0.396 nan 8.190 nan 0.000 0.468 117 Y N 1.937 122.196 120.300 -0.067 0.000 2.145 117 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 117 Y C 2.324 178.127 175.900 -0.162 0.000 1.145 117 Y CA 1.734 59.780 58.100 -0.090 0.000 1.148 117 Y CB -0.713 37.688 38.460 -0.097 0.000 0.981 117 Y HN 0.202 nan 8.280 nan 0.000 0.507 118 G N -0.743 108.104 108.800 0.078 0.000 2.403 118 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 118 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 118 G C 1.426 176.260 174.900 -0.110 0.000 1.154 118 G CA 0.631 45.680 45.100 -0.085 0.000 0.784 118 G HN 0.472 nan 8.290 nan 0.000 0.538 119 Q N 0.269 120.027 119.800 -0.071 0.000 2.152 119 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 119 Q C 2.547 178.511 176.000 -0.060 0.000 0.985 119 Q CA 1.453 57.221 55.803 -0.057 0.000 0.863 119 Q CB -0.142 28.577 28.738 -0.031 0.000 0.904 119 Q HN 0.449 nan 8.270 nan 0.000 0.422 120 K N 0.582 120.936 120.400 -0.078 0.000 1.985 120 K HA -0.114 4.206 4.320 -0.000 0.000 0.210 120 K C 2.078 178.620 176.600 -0.097 0.000 1.047 120 K CA 1.284 57.520 56.287 -0.085 0.000 0.932 120 K CB -0.246 32.185 32.500 -0.116 0.000 0.716 120 K HN 0.160 nan 8.250 nan 0.000 0.439 121 I N 1.165 121.620 120.570 -0.192 0.000 2.300 121 I HA -0.326 3.844 4.170 -0.000 0.000 0.252 121 I C 2.252 178.312 176.117 -0.095 0.000 1.119 121 I CA 1.107 62.252 61.300 -0.259 0.000 1.384 121 I CB -0.425 37.241 38.000 -0.556 0.000 1.062 121 I HN -0.001 nan 8.210 nan 0.000 0.426 122 V N 1.030 120.898 119.914 -0.077 0.000 2.239 122 V HA -0.291 3.829 4.120 -0.000 0.000 0.242 122 V C 2.544 178.657 176.094 0.031 0.000 1.038 122 V CA 2.158 64.447 62.300 -0.019 0.000 1.002 122 V CB -0.676 31.125 31.823 -0.036 0.000 0.641 122 V HN 0.457 nan 8.190 nan 0.000 0.449 123 K N -0.012 120.399 120.400 0.018 0.000 2.207 123 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 123 K C 1.797 178.452 176.600 0.091 0.000 1.046 123 K CA 2.244 58.557 56.287 0.043 0.000 0.929 123 K CB -0.288 32.216 32.500 0.006 0.000 0.720 123 K HN 0.352 nan 8.250 nan 0.000 0.463 124 V N 0.938 120.909 119.914 0.095 0.000 2.649 124 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 124 V C 2.215 178.449 176.094 0.233 0.000 1.054 124 V CA 1.508 63.908 62.300 0.166 0.000 1.073 124 V CB -0.229 31.705 31.823 0.185 0.000 0.699 124 V HN 0.380 nan 8.190 nan 0.000 0.463 125 M N -0.483 119.228 119.600 0.185 0.000 2.419 125 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 125 M C 1.542 177.933 176.300 0.152 0.000 1.082 125 M CA 1.175 56.582 55.300 0.178 0.000 1.119 125 M CB -0.375 32.316 32.600 0.152 0.000 1.398 125 M HN 0.267 nan 8.290 nan 0.000 0.453 126 D N -0.068 120.420 120.400 0.146 0.000 2.234 126 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 126 D C 1.565 177.958 176.300 0.154 0.000 0.962 126 D CA 0.937 55.011 54.000 0.123 0.000 0.855 126 D CB -0.024 40.836 40.800 0.100 0.000 0.951 126 D HN 0.273 nan 8.370 nan 0.000 0.500 127 F N 1.331 121.305 119.950 0.040 0.000 2.219 127 F HA 0.088 4.615 4.527 -0.000 0.000 0.294 127 F C 2.136 177.947 175.800 0.019 0.000 1.086 127 F CA 1.005 59.020 58.000 0.024 0.000 1.330 127 F CB 0.038 39.060 39.000 0.038 0.000 1.047 127 F HN -0.089 nan 8.300 nan 0.000 0.495 128 A N 0.150 123.111 122.820 0.236 0.000 1.969 128 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 128 A C 2.018 179.608 177.584 0.009 0.000 1.169 128 A CA 1.666 53.770 52.037 0.113 0.000 0.635 128 A CB -0.990 18.114 19.000 0.173 0.000 0.810 128 A HN 0.505 nan 8.150 nan 0.000 0.445 129 L N 0.344 121.586 121.223 0.032 0.000 2.068 129 L HA -0.027 4.313 4.340 -0.000 0.000 0.204 129 L C 2.410 179.255 176.870 -0.041 0.000 1.076 129 L CA 2.445 57.296 54.840 0.018 0.000 0.753 129 L CB -0.474 41.620 42.059 0.057 0.000 0.910 129 L HN 0.493 nan 8.230 nan 0.000 0.439 130 K N -0.999 119.359 120.400 -0.071 0.000 2.281 130 K HA -0.139 4.181 4.320 -0.000 0.000 0.203 130 K C 1.301 177.788 176.600 -0.188 0.000 1.046 130 K CA 1.819 58.040 56.287 -0.109 0.000 0.938 130 K CB -0.570 31.868 32.500 -0.103 0.000 0.737 130 K HN 0.502 nan 8.250 nan 0.000 0.458 131 T N -3.410 110.970 114.554 -0.291 0.000 3.092 131 T HA 0.260 4.610 4.350 -0.000 0.000 0.258 131 T C 0.894 175.477 174.700 -0.195 0.000 1.031 131 T CA 0.013 61.922 62.100 -0.319 0.000 0.925 131 T CB 0.286 68.815 68.868 -0.565 0.000 1.036 131 T HN 0.399 nan 8.240 nan 0.000 0.544 132 G N 1.805 110.529 108.800 -0.125 0.000 2.359 132 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.298 132 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.298 132 G C 0.192 175.053 174.900 -0.065 0.000 1.030 132 G CA 0.008 45.068 45.100 -0.067 0.000 1.149 132 G HN 1.463 nan 8.290 nan 0.000 0.512 133 C N -1.711 117.557 119.300 -0.054 0.000 2.802 133 C HA 0.947 5.407 4.460 -0.000 0.000 0.307 133 C C -1.672 173.313 174.990 -0.008 0.000 1.222 133 C CA -2.606 56.390 59.018 -0.037 0.000 1.580 133 C CB 1.917 29.643 27.740 -0.022 0.000 2.119 133 C HN 0.301 nan 8.230 nan 0.000 0.479 134 P HA 0.261 nan 4.420 nan 0.000 0.273 134 P C -0.774 176.540 177.300 0.023 0.000 1.258 134 P CA -0.137 62.947 63.100 -0.026 0.000 0.802 134 P CB 0.303 31.959 31.700 -0.075 0.000 1.040 135 V N 0.592 120.519 119.914 0.021 0.000 2.454 135 V HA 0.091 4.211 4.120 -0.000 0.000 0.267 135 V C -0.351 175.707 176.094 -0.060 0.000 0.993 135 V CA -0.573 61.744 62.300 0.028 0.000 0.836 135 V CB 1.395 33.279 31.823 0.101 0.000 1.055 135 V HN 0.180 nan 8.190 nan 0.000 0.452 136 V N 3.461 123.310 119.914 -0.109 0.000 2.446 136 V HA 0.416 4.536 4.120 -0.000 0.000 0.276 136 V C 1.154 176.991 176.094 -0.429 0.000 1.030 136 V CA 0.449 62.641 62.300 -0.179 0.000 1.033 136 V CB 0.991 32.730 31.823 -0.139 0.000 0.993 136 V HN 0.815 nan 8.190 nan 0.000 0.477 137 G N 5.694 114.198 108.800 -0.492 0.000 2.384 137 G HA2 0.659 4.619 3.960 -0.000 0.000 0.316 137 G HA3 0.659 4.619 3.960 -0.000 0.000 0.316 137 G C -0.616 174.016 174.900 -0.446 0.000 1.160 137 G CA -0.578 43.892 45.100 -1.050 0.000 0.936 137 G HN 0.672 nan 8.290 nan 0.000 0.455 138 I N 2.817 123.164 120.570 -0.373 0.000 2.306 138 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 138 I C -0.484 175.708 176.117 0.125 0.000 1.036 138 I CA -0.851 60.410 61.300 -0.064 0.000 1.221 138 I CB 1.100 39.063 38.000 -0.061 0.000 1.385 138 I HN 0.269 nan 8.210 nan 0.000 0.472 139 N N 4.480 123.272 118.700 0.153 0.000 2.476 139 N HA 0.340 5.080 4.740 -0.000 0.000 0.275 139 N C 0.262 175.857 175.510 0.141 0.000 1.190 139 N CA -0.321 52.855 53.050 0.210 0.000 0.977 139 N CB 1.338 39.943 38.487 0.195 0.000 1.200 139 N HN 0.538 nan 8.380 nan 0.000 0.515 140 D N -1.698 118.799 120.400 0.162 0.000 2.599 140 D HA -0.064 4.576 4.640 -0.000 0.000 0.472 140 D C -0.711 175.695 176.300 0.176 0.000 1.161 140 D CA -0.019 54.050 54.000 0.114 0.000 1.048 140 D CB 0.048 40.933 40.800 0.141 0.000 1.602 140 D HN 0.355 nan 8.370 nan 0.000 0.380 141 S N 0.071 115.896 115.700 0.209 0.000 2.702 141 S HA 0.179 4.649 4.470 -0.000 0.000 0.314 141 S C 1.508 176.196 174.600 0.147 0.000 1.244 141 S CA 1.019 59.340 58.200 0.201 0.000 1.058 141 S CB 0.811 64.123 63.200 0.187 0.000 0.783 141 S HN 0.300 nan 8.310 nan 0.000 0.503 142 G N 3.217 112.135 108.800 0.197 0.000 2.712 142 G HA2 0.500 4.460 3.960 -0.000 0.000 0.212 142 G HA3 0.500 4.460 3.960 -0.000 0.000 0.212 142 G C 0.713 175.668 174.900 0.091 0.000 1.142 142 G CA 0.326 45.534 45.100 0.180 0.000 0.789 142 G HN 1.377 nan 8.290 nan 0.000 0.535 143 G N -1.723 107.116 108.800 0.065 0.000 2.369 143 G HA2 0.532 4.492 3.960 -0.000 0.000 0.293 143 G HA3 0.532 4.492 3.960 -0.000 0.000 0.293 143 G C -0.647 174.288 174.900 0.058 0.000 1.301 143 G CA -0.234 44.893 45.100 0.046 0.000 0.913 143 G HN 0.930 nan 8.290 nan 0.000 0.540 144 A N -0.141 122.732 122.820 0.088 0.000 2.425 144 A HA 0.643 4.963 4.320 -0.000 0.000 0.249 144 A C 0.910 178.455 177.584 -0.066 0.000 1.084 144 A CA 0.197 52.289 52.037 0.092 0.000 0.781 144 A CB 0.241 19.342 19.000 0.169 0.000 1.019 144 A HN 0.882 nan 8.150 nan 0.000 0.490 145 R N 2.979 123.376 120.500 -0.172 0.000 2.605 145 R HA 0.162 4.502 4.340 -0.000 0.000 0.271 145 R C 0.589 176.753 176.300 -0.225 0.000 1.418 145 R CA -0.111 55.847 56.100 -0.237 0.000 1.102 145 R CB -0.637 29.456 30.300 -0.345 0.000 1.131 145 R HN 0.823 nan 8.270 nan 0.000 0.554 146 I N 2.488 122.942 120.570 -0.192 0.000 2.290 146 I HA -0.419 3.751 4.170 -0.000 0.000 0.253 146 I C 1.753 177.669 176.117 -0.335 0.000 1.112 146 I CA 1.452 62.621 61.300 -0.219 0.000 1.377 146 I CB -0.109 37.771 38.000 -0.199 0.000 1.060 146 I HN 0.617 nan 8.210 nan 0.000 0.428 147 Q N 0.744 120.308 119.800 -0.395 0.000 2.084 147 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 147 Q C 1.944 177.747 176.000 -0.330 0.000 0.978 147 Q CA 1.479 56.988 55.803 -0.489 0.000 0.844 147 Q CB -0.211 28.304 28.738 -0.371 0.000 0.898 147 Q HN 0.530 nan 8.270 nan 0.000 0.426 148 E N -0.269 119.767 120.200 -0.274 0.000 2.478 148 E HA 0.025 4.375 4.350 -0.000 0.000 0.198 148 E C 1.034 177.545 176.600 -0.148 0.000 1.046 148 E CA 0.196 56.474 56.400 -0.204 0.000 0.870 148 E CB -0.057 29.508 29.700 -0.226 0.000 0.818 148 E HN 0.407 nan 8.360 nan 0.000 0.527 149 G N 1.069 109.775 108.800 -0.156 0.000 2.565 149 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.295 149 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.295 149 G C 1.184 176.041 174.900 -0.071 0.000 1.165 149 G CA 1.016 46.053 45.100 -0.105 0.000 0.977 149 G HN 0.427 nan 8.290 nan 0.000 0.546 150 V N -0.995 118.891 119.914 -0.047 0.000 2.626 150 V HA 0.299 4.419 4.120 -0.000 0.000 0.252 150 V C 3.142 179.211 176.094 -0.040 0.000 1.067 150 V CA 2.558 64.841 62.300 -0.028 0.000 1.081 150 V CB -1.412 30.401 31.823 -0.017 0.000 0.686 150 V HN 2.151 nan 8.190 nan 0.000 0.468 151 A N 2.035 124.817 122.820 -0.063 0.000 1.908 151 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 151 A C 2.599 180.119 177.584 -0.106 0.000 1.181 151 A CA 2.724 54.713 52.037 -0.079 0.000 0.627 151 A CB -1.095 17.850 19.000 -0.092 0.000 0.818 151 A HN 0.980 nan 8.150 nan 0.000 0.445 152 S N -0.450 115.178 115.700 -0.120 0.000 2.447 152 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 152 S C 1.804 176.358 174.600 -0.077 0.000 1.006 152 S CA 1.228 59.329 58.200 -0.165 0.000 0.957 152 S CB -0.528 62.581 63.200 -0.151 0.000 0.773 152 S HN 0.458 nan 8.310 nan 0.000 0.507 153 L N 1.069 122.301 121.223 0.014 0.000 2.131 153 L HA 0.125 4.465 4.340 -0.000 0.000 0.206 153 L C 2.959 179.850 176.870 0.034 0.000 1.087 153 L CA 1.001 55.904 54.840 0.105 0.000 0.767 153 L CB -1.070 41.032 42.059 0.073 0.000 0.917 153 L HN 0.524 nan 8.230 nan 0.000 0.441 154 G N -0.329 108.454 108.800 -0.027 0.000 2.422 154 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 154 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 154 G C 1.760 176.598 174.900 -0.103 0.000 1.146 154 G CA 0.822 45.893 45.100 -0.049 0.000 0.769 154 G HN 0.452 nan 8.290 nan 0.000 0.547 155 A N 0.341 123.063 122.820 -0.162 0.000 1.858 155 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 155 A C 2.215 179.605 177.584 -0.325 0.000 1.190 155 A CA 1.606 53.497 52.037 -0.243 0.000 0.617 155 A CB -0.790 18.021 19.000 -0.315 0.000 0.827 155 A HN 0.351 nan 8.150 nan 0.000 0.443 156 Y N 0.484 120.598 120.300 -0.309 0.000 2.241 156 Y HA -0.153 4.397 4.550 -0.000 0.000 0.286 156 Y C 2.695 178.033 175.900 -0.937 0.000 1.166 156 Y CA 0.802 58.531 58.100 -0.619 0.000 1.203 156 Y CB -1.009 37.154 38.460 -0.496 0.000 0.977 156 Y HN 0.327 nan 8.280 nan 0.000 0.529 157 G N -0.308 108.311 108.800 -0.303 0.000 2.505 157 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.214 157 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.214 157 G C 1.509 176.331 174.900 -0.131 0.000 1.237 157 G CA 0.759 45.767 45.100 -0.154 0.000 0.802 157 G HN 0.250 nan 8.290 nan 0.000 0.549 158 E N 0.485 120.615 120.200 -0.117 0.000 2.253 158 E HA -0.163 4.187 4.350 -0.000 0.000 0.202 158 E C 2.428 178.973 176.600 -0.092 0.000 1.014 158 E CA 0.774 57.118 56.400 -0.093 0.000 0.823 158 E CB -0.190 29.456 29.700 -0.089 0.000 0.736 158 E HN 0.554 nan 8.360 nan 0.000 0.478 159 I N -0.192 120.285 120.570 -0.155 0.000 2.235 159 I HA -0.194 3.976 4.170 -0.000 0.000 0.241 159 I C 2.054 178.198 176.117 0.045 0.000 1.085 159 I CA 0.543 61.783 61.300 -0.100 0.000 1.378 159 I CB -0.285 37.603 38.000 -0.187 0.000 1.076 159 I HN -0.049 nan 8.210 nan 0.000 0.415 160 F N 1.094 121.084 119.950 0.068 0.000 2.154 160 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 160 F C 2.619 178.433 175.800 0.022 0.000 1.087 160 F CA 1.212 59.249 58.000 0.061 0.000 1.274 160 F CB -1.063 37.972 39.000 0.059 0.000 1.009 160 F HN 0.046 nan 8.300 nan 0.000 0.485 161 R N 0.730 121.317 120.500 0.146 0.000 2.092 161 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 161 R C 2.243 178.510 176.300 -0.055 0.000 1.119 161 R CA 0.928 57.023 56.100 -0.008 0.000 0.970 161 R CB -0.061 30.165 30.300 -0.123 0.000 0.864 161 R HN 0.151 nan 8.270 nan 0.000 0.440 162 R N 0.268 120.769 120.500 0.002 0.000 2.090 162 R HA -0.020 4.320 4.340 -0.000 0.000 0.228 162 R C 1.920 178.297 176.300 0.129 0.000 1.110 162 R CA 1.164 57.293 56.100 0.049 0.000 0.973 162 R CB -0.886 29.448 30.300 0.058 0.000 0.869 162 R HN 0.425 nan 8.270 nan 0.000 0.440 163 N N -0.142 118.652 118.700 0.157 0.000 2.104 163 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 163 N C 1.362 176.960 175.510 0.147 0.000 1.024 163 N CA 2.085 55.240 53.050 0.174 0.000 0.853 163 N CB -0.002 38.615 38.487 0.216 0.000 1.008 163 N HN 0.221 nan 8.380 nan 0.000 0.424 164 T N -0.414 114.229 114.554 0.149 0.000 2.668 164 T HA -0.093 4.257 4.350 -0.000 0.000 0.258 164 T C 1.448 176.259 174.700 0.186 0.000 1.051 164 T CA 0.910 63.094 62.100 0.141 0.000 1.155 164 T CB -0.794 68.167 68.868 0.155 0.000 0.864 164 T HN 0.347 nan 8.240 nan 0.000 0.413 165 H N 1.065 120.157 119.070 0.037 0.000 2.431 165 H HA -0.068 4.488 4.556 -0.000 0.000 0.297 165 H C 2.138 177.488 175.328 0.037 0.000 1.115 165 H CA 1.066 57.133 56.048 0.032 0.000 1.277 165 H CB -0.024 29.761 29.762 0.037 0.000 1.372 165 H HN 0.396 nan 8.280 nan 0.000 0.516 166 A N 0.611 123.537 122.820 0.178 0.000 2.308 166 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 166 A C 1.119 178.771 177.584 0.113 0.000 1.216 166 A CA -0.101 52.014 52.037 0.130 0.000 0.864 166 A CB 0.251 19.334 19.000 0.139 0.000 0.902 166 A HN 0.167 nan 8.150 nan 0.000 0.499 167 S N 0.293 116.046 115.700 0.088 0.000 2.506 167 S HA 0.390 4.860 4.470 -0.000 0.000 0.291 167 S C 1.355 175.944 174.600 -0.018 0.000 1.230 167 S CA 0.990 59.222 58.200 0.054 0.000 1.107 167 S CB -0.408 62.804 63.200 0.021 0.000 0.942 167 S HN 1.772 nan 8.310 nan 0.000 0.502 168 G N 2.970 111.743 108.800 -0.044 0.000 2.194 168 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.236 168 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.236 168 G C 0.583 175.356 174.900 -0.212 0.000 0.987 168 G CA 0.189 45.076 45.100 -0.356 0.000 0.635 168 G HN 0.910 nan 8.290 nan 0.000 0.520 169 V N 0.954 120.908 119.914 0.067 0.000 3.085 169 V HA 0.435 4.555 4.120 -0.000 0.000 0.245 169 V C 1.117 177.378 176.094 0.278 0.000 1.114 169 V CA 1.638 64.018 62.300 0.134 0.000 1.108 169 V CB 0.039 31.909 31.823 0.079 0.000 0.798 169 V HN 0.878 nan 8.190 nan 0.000 0.471 170 I N -2.780 117.985 120.570 0.326 0.000 2.644 170 I HA 0.573 4.743 4.170 -0.000 0.000 0.291 170 I C -3.241 172.980 176.117 0.173 0.000 1.180 170 I CA -2.496 58.931 61.300 0.211 0.000 1.040 170 I CB 2.388 40.451 38.000 0.104 0.000 1.255 170 I HN -0.109 nan 8.210 nan 0.000 0.422 171 P HA 0.059 nan 4.420 nan 0.000 0.262 171 P C -1.291 176.008 177.300 -0.000 0.000 1.182 171 P CA 0.410 63.370 63.100 -0.234 0.000 0.761 171 P CB 0.361 31.817 31.700 -0.407 0.000 0.795 172 Q N 3.007 122.859 119.800 0.088 0.000 2.309 172 Q HA 0.517 4.857 4.340 -0.000 0.000 0.270 172 Q C -0.625 175.445 176.000 0.118 0.000 1.023 172 Q CA -0.415 55.449 55.803 0.102 0.000 0.758 172 Q CB 1.833 30.654 28.738 0.139 0.000 1.247 172 Q HN 0.427 nan 8.270 nan 0.000 0.455 173 I N 1.400 122.021 120.570 0.085 0.000 2.433 173 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 173 I C -0.256 175.902 176.117 0.070 0.000 1.001 173 I CA -0.666 60.703 61.300 0.115 0.000 1.119 173 I CB 2.087 40.136 38.000 0.081 0.000 1.289 173 I HN 0.421 nan 8.210 nan 0.000 0.438 174 S N 6.933 122.706 115.700 0.122 0.000 2.429 174 S HA 0.469 4.939 4.470 -0.000 0.000 0.302 174 S C -0.348 174.309 174.600 0.095 0.000 1.115 174 S CA -0.536 57.724 58.200 0.100 0.000 1.095 174 S CB 1.115 64.401 63.200 0.144 0.000 0.987 174 S HN 0.414 nan 8.310 nan 0.000 0.474 175 L N 4.800 126.050 121.223 0.044 0.000 2.283 175 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 175 L C -1.097 175.805 176.870 0.053 0.000 1.033 175 L CA -0.528 54.341 54.840 0.048 0.000 0.848 175 L CB 0.845 42.908 42.059 0.008 0.000 1.226 175 L HN 0.388 nan 8.230 nan 0.000 0.429 176 V N 5.965 125.914 119.914 0.059 0.000 2.334 176 V HA 0.117 4.237 4.120 -0.000 0.000 0.267 176 V C 0.641 176.744 176.094 0.014 0.000 1.040 176 V CA -0.243 62.083 62.300 0.043 0.000 0.866 176 V CB 1.372 33.218 31.823 0.039 0.000 1.019 176 V HN 0.637 nan 8.190 nan 0.000 0.468 177 V N 1.993 121.910 119.914 0.005 0.000 2.991 177 V HA 0.897 5.017 4.120 -0.000 0.000 0.355 177 V C 0.427 176.490 176.094 -0.052 0.000 1.384 177 V CA 0.513 62.801 62.300 -0.020 0.000 1.171 177 V CB 0.099 31.919 31.823 -0.005 0.000 1.190 177 V HN 0.822 nan 8.190 nan 0.000 0.540 178 G N 0.051 108.818 108.800 -0.056 0.000 2.500 178 G HA2 0.549 4.509 3.960 -0.000 0.000 0.299 178 G HA3 0.549 4.509 3.960 -0.000 0.000 0.299 178 G C -3.538 171.327 174.900 -0.057 0.000 1.242 178 G CA -0.866 44.169 45.100 -0.108 0.000 0.859 178 G HN 0.121 nan 8.290 nan 0.000 0.481 179 P HA 0.441 nan 4.420 nan 0.000 0.272 179 P C -0.616 176.650 177.300 -0.057 0.000 1.223 179 P CA -0.083 62.993 63.100 -0.040 0.000 0.784 179 P CB 1.295 32.970 31.700 -0.043 0.000 0.923 180 C N 3.091 122.280 119.300 -0.185 0.000 3.226 180 C HA 0.695 5.155 4.460 -0.000 0.000 0.365 180 C C -0.729 173.941 174.990 -0.534 0.000 1.027 180 C CA 0.022 58.910 59.018 -0.216 0.000 1.319 180 C CB -1.138 26.537 27.740 -0.109 0.000 1.718 180 C HN 0.656 nan 8.230 nan 0.000 0.554 181 A N 3.484 125.973 122.820 -0.553 0.000 2.380 181 A HA 0.994 5.314 4.320 -0.000 0.000 0.315 181 A C 0.555 177.929 177.584 -0.350 0.000 1.101 181 A CA 0.669 52.276 52.037 -0.718 0.000 0.771 181 A CB 1.069 19.626 19.000 -0.738 0.000 1.287 181 A HN 2.652 nan 8.150 nan 0.000 0.436 182 G N 0.341 108.974 108.800 -0.278 0.000 2.593 182 G HA2 0.173 4.133 3.960 -0.000 0.000 0.237 182 G HA3 0.173 4.133 3.960 -0.000 0.000 0.237 182 G C 1.181 175.872 174.900 -0.349 0.000 1.312 182 G CA 0.492 45.456 45.100 -0.227 0.000 0.896 182 G HN 2.078 nan 8.290 nan 0.000 0.574 183 G N -0.122 108.493 108.800 -0.309 0.000 2.485 183 G HA2 0.167 4.127 3.960 -0.000 0.000 0.221 183 G HA3 0.167 4.127 3.960 -0.000 0.000 0.221 183 G C 2.169 176.912 174.900 -0.261 0.000 1.115 183 G CA 3.058 48.010 45.100 -0.247 0.000 0.751 183 G HN 2.051 nan 8.290 nan 0.000 0.567 184 A N 0.786 123.288 122.820 -0.530 0.000 1.917 184 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 184 A C 2.694 180.258 177.584 -0.035 0.000 1.182 184 A CA 2.549 54.414 52.037 -0.286 0.000 0.633 184 A CB -0.951 17.944 19.000 -0.175 0.000 0.819 184 A HN 1.080 nan 8.150 nan 0.000 0.448 185 V N -3.846 115.926 119.914 -0.237 0.000 2.982 185 V HA -0.222 3.898 4.120 -0.000 0.000 0.265 185 V C 1.929 177.914 176.094 -0.181 0.000 1.122 185 V CA 1.857 64.012 62.300 -0.242 0.000 1.143 185 V CB -1.393 30.205 31.823 -0.375 0.000 0.726 185 V HN 0.527 nan 8.190 nan 0.000 0.507 186 Y N 0.784 120.997 120.300 -0.146 0.000 2.544 186 Y HA 0.181 4.731 4.550 -0.000 0.000 0.286 186 Y C 2.869 178.597 175.900 -0.286 0.000 1.141 186 Y CA 0.530 58.412 58.100 -0.364 0.000 1.299 186 Y CB -0.470 37.523 38.460 -0.778 0.000 1.030 186 Y HN 0.439 nan 8.280 nan 0.000 0.543 187 S N 0.472 116.354 115.700 0.303 0.000 2.348 187 S HA -0.035 4.435 4.470 -0.000 0.000 0.219 187 S C -0.562 174.189 174.600 0.251 0.000 1.033 187 S CA 0.870 59.339 58.200 0.449 0.000 0.974 187 S CB -0.965 62.576 63.200 0.567 0.000 0.868 187 S HN 0.155 nan 8.310 nan 0.000 0.459 188 P HA 0.150 nan 4.420 nan 0.000 0.223 188 P C 1.330 178.693 177.300 0.105 0.000 1.151 188 P CA 1.229 64.420 63.100 0.151 0.000 0.787 188 P CB -0.214 31.556 31.700 0.118 0.000 0.788 189 A N -0.530 122.335 122.820 0.074 0.000 1.933 189 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 189 A C 2.101 179.710 177.584 0.042 0.000 1.175 189 A CA 1.423 53.487 52.037 0.046 0.000 0.628 189 A CB -1.424 17.616 19.000 0.067 0.000 0.814 189 A HN 0.147 nan 8.150 nan 0.000 0.444 190 I N 0.157 120.759 120.570 0.053 0.000 2.400 190 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 190 I C 1.507 177.667 176.117 0.071 0.000 1.109 190 I CA 0.740 62.066 61.300 0.045 0.000 1.425 190 I CB -0.847 37.185 38.000 0.053 0.000 1.094 190 I HN 0.396 nan 8.210 nan 0.000 0.425 191 T N -0.750 113.870 114.554 0.111 0.000 2.854 191 T HA -0.097 4.253 4.350 -0.000 0.000 0.336 191 T C 0.825 175.560 174.700 0.058 0.000 1.095 191 T CA -0.147 62.021 62.100 0.114 0.000 1.118 191 T CB 0.614 69.569 68.868 0.145 0.000 1.025 191 T HN 0.156 nan 8.240 nan 0.000 0.549 192 D N 0.258 120.671 120.400 0.021 0.000 2.149 192 D HA 0.041 4.681 4.640 -0.000 0.000 0.201 192 D C 0.038 176.017 176.300 -0.535 0.000 0.972 192 D CA 1.295 55.174 54.000 -0.200 0.000 0.835 192 D CB -0.036 40.698 40.800 -0.110 0.000 0.966 192 D HN 0.524 nan 8.370 nan 0.000 0.476 193 F N 0.131 120.058 119.950 -0.040 0.000 2.557 193 F HA 0.271 4.798 4.527 -0.000 0.000 0.316 193 F C -0.173 175.678 175.800 0.086 0.000 1.141 193 F CA -0.706 57.171 58.000 -0.204 0.000 0.922 193 F CB 2.249 41.179 39.000 -0.116 0.000 1.194 193 F HN -0.473 nan 8.300 nan 0.000 0.443 194 T N 3.437 118.322 114.554 0.551 0.000 2.772 194 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 194 T C -1.021 173.898 174.700 0.365 0.000 0.994 194 T CA -0.551 61.782 62.100 0.389 0.000 0.951 194 T CB 1.321 70.361 68.868 0.288 0.000 0.933 194 T HN 0.429 nan 8.240 nan 0.000 0.447 195 V N 7.136 127.201 119.914 0.251 0.000 2.448 195 V HA 0.818 4.938 4.120 -0.000 0.000 0.295 195 V C -0.638 175.525 176.094 0.114 0.000 1.025 195 V CA -0.967 61.451 62.300 0.197 0.000 0.859 195 V CB 1.095 33.050 31.823 0.221 0.000 0.988 195 V HN 0.934 nan 8.190 nan 0.000 0.431 196 M N 6.105 125.746 119.600 0.069 0.000 2.644 196 M HA 0.793 5.273 4.480 -0.000 0.000 0.304 196 M C -1.237 175.055 176.300 -0.014 0.000 1.215 196 M CA -0.749 54.566 55.300 0.024 0.000 0.871 196 M CB 1.943 34.553 32.600 0.016 0.000 1.740 196 M HN 0.320 nan 8.290 nan 0.000 0.464 197 V N 0.531 120.425 119.914 -0.033 0.000 3.214 197 V HA 0.211 4.331 4.120 -0.000 0.000 0.306 197 V C -0.365 175.678 176.094 -0.086 0.000 1.078 197 V CA -0.230 62.040 62.300 -0.050 0.000 1.077 197 V CB 1.191 32.990 31.823 -0.039 0.000 1.121 197 V HN 0.917 nan 8.190 nan 0.000 0.468 198 D N 1.075 121.429 120.400 -0.076 0.000 2.347 198 D HA 0.336 4.976 4.640 -0.000 0.000 0.235 198 D C 0.622 176.881 176.300 -0.068 0.000 1.149 198 D CA 0.160 54.114 54.000 -0.076 0.000 0.850 198 D CB 0.568 41.332 40.800 -0.060 0.000 1.061 198 D HN 0.621 nan 8.370 nan 0.000 0.487 199 Q N 1.252 120.996 119.800 -0.093 0.000 2.411 199 Q HA -0.253 4.087 4.340 -0.000 0.000 0.149 199 Q C 1.212 177.181 176.000 -0.053 0.000 0.722 199 Q CA 1.861 57.642 55.803 -0.038 0.000 1.279 199 Q CB -2.093 26.653 28.738 0.014 0.000 1.189 199 Q HN 0.667 nan 8.270 nan 0.000 1.014 200 T N -1.732 112.763 114.554 -0.099 0.000 3.081 200 T HA 0.260 4.610 4.350 -0.000 0.000 0.250 200 T C 0.667 175.287 174.700 -0.134 0.000 1.100 200 T CA 0.754 62.808 62.100 -0.076 0.000 1.038 200 T CB 0.207 69.045 68.868 -0.051 0.000 0.962 200 T HN 0.439 nan 8.240 nan 0.000 0.516 201 S N -0.022 115.503 115.700 -0.292 0.000 2.546 201 S HA 0.724 5.194 4.470 -0.000 0.000 0.274 201 S C -1.598 172.685 174.600 -0.528 0.000 1.121 201 S CA -0.979 57.071 58.200 -0.250 0.000 0.887 201 S CB 1.696 64.823 63.200 -0.121 0.000 1.094 201 S HN 0.497 nan 8.310 nan 0.000 0.474 202 H N 0.192 119.304 119.070 0.069 0.000 2.980 202 H HA 0.727 5.283 4.556 -0.000 0.000 0.367 202 H C -1.030 174.398 175.328 0.167 0.000 1.206 202 H CA -0.662 55.503 56.048 0.194 0.000 1.126 202 H CB 1.853 31.794 29.762 0.297 0.000 1.838 202 H HN 0.635 nan 8.280 nan 0.000 0.552 203 M N 2.676 122.532 119.600 0.427 0.000 2.324 203 M HA 0.494 4.974 4.480 -0.000 0.000 0.288 203 M C -1.859 174.669 176.300 0.379 0.000 1.097 203 M CA -0.688 54.694 55.300 0.136 0.000 0.928 203 M CB 2.102 34.689 32.600 -0.021 0.000 1.648 203 M HN 0.620 nan 8.290 nan 0.000 0.460 204 F N 0.871 120.897 119.950 0.127 0.000 2.680 204 F HA 0.432 4.959 4.527 -0.000 0.000 0.315 204 F C -0.782 175.013 175.800 -0.009 0.000 1.099 204 F CA -1.077 56.983 58.000 0.099 0.000 1.033 204 F CB 0.270 39.359 39.000 0.148 0.000 1.285 204 F HN 0.375 nan 8.300 nan 0.000 0.457 205 I N 1.271 121.887 120.570 0.077 0.000 2.233 205 I HA -0.029 4.141 4.170 -0.000 0.000 0.243 205 I C 0.987 177.165 176.117 0.100 0.000 1.093 205 I CA 1.733 63.005 61.300 -0.047 0.000 1.380 205 I CB -0.455 37.485 38.000 -0.101 0.000 1.067 205 I HN 0.802 nan 8.210 nan 0.000 0.413 206 T N -0.761 113.911 114.554 0.196 0.000 2.786 206 T HA 0.653 5.003 4.350 -0.000 0.000 0.283 206 T C 0.283 175.097 174.700 0.190 0.000 0.992 206 T CA -0.755 61.444 62.100 0.165 0.000 0.954 206 T CB 1.703 70.614 68.868 0.072 0.000 0.934 206 T HN 0.262 nan 8.240 nan 0.000 0.440 207 G N 3.029 111.935 108.800 0.177 0.000 2.664 207 G HA2 0.384 4.344 3.960 -0.000 0.000 0.242 207 G HA3 0.384 4.344 3.960 -0.000 0.000 0.242 207 G C -1.559 173.216 174.900 -0.208 0.000 1.225 207 G CA -1.413 43.664 45.100 -0.037 0.000 0.849 207 G HN 0.484 nan 8.290 nan 0.000 0.581 208 P HA -0.060 nan 4.420 nan 0.000 0.216 208 P C 0.913 178.056 177.300 -0.262 0.000 1.150 208 P CA 1.415 64.260 63.100 -0.426 0.000 0.837 208 P CB 0.213 31.477 31.700 -0.727 0.000 0.786 209 D N -0.921 119.343 120.400 -0.226 0.000 2.084 209 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 209 D C 1.890 178.143 176.300 -0.079 0.000 0.990 209 D CA 1.134 55.058 54.000 -0.127 0.000 0.826 209 D CB -0.859 39.893 40.800 -0.081 0.000 0.971 209 D HN -0.082 nan 8.370 nan 0.000 0.453 210 V N 0.968 120.850 119.914 -0.054 0.000 2.392 210 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 210 V C 2.306 178.379 176.094 -0.036 0.000 1.059 210 V CA 1.270 63.555 62.300 -0.026 0.000 1.051 210 V CB -0.560 31.264 31.823 0.002 0.000 0.658 210 V HN 0.277 nan 8.190 nan 0.000 0.455 211 I N 0.072 120.608 120.570 -0.057 0.000 2.361 211 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 211 I C 2.571 178.653 176.117 -0.058 0.000 1.133 211 I CA 1.608 62.874 61.300 -0.055 0.000 1.413 211 I CB -0.318 37.636 38.000 -0.077 0.000 1.073 211 I HN 0.310 nan 8.210 nan 0.000 0.424 212 K N 1.632 121.988 120.400 -0.074 0.000 1.973 212 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 212 K C 1.863 178.436 176.600 -0.045 0.000 1.045 212 K CA 2.358 58.606 56.287 -0.066 0.000 0.937 212 K CB -0.987 31.464 32.500 -0.082 0.000 0.721 212 K HN 0.300 nan 8.250 nan 0.000 0.438 213 T N -1.686 112.844 114.554 -0.040 0.000 3.320 213 T HA 0.036 4.386 4.350 -0.000 0.000 0.258 213 T C 1.140 175.828 174.700 -0.019 0.000 1.176 213 T CA 0.805 62.889 62.100 -0.026 0.000 1.037 213 T CB -0.202 68.653 68.868 -0.021 0.000 0.958 213 T HN 0.018 nan 8.240 nan 0.000 0.545 214 V N 0.165 120.067 119.914 -0.021 0.000 3.193 214 V HA 0.144 4.264 4.120 -0.000 0.000 0.237 214 V C 2.370 178.455 176.094 -0.014 0.000 1.447 214 V CA 0.680 62.971 62.300 -0.014 0.000 1.227 214 V CB 0.548 32.365 31.823 -0.009 0.000 1.040 214 V HN 0.662 nan 8.190 nan 0.000 0.458 215 T N -2.252 112.290 114.554 -0.020 0.000 2.985 215 T HA 0.349 4.699 4.350 -0.000 0.000 0.254 215 T C 1.312 175.999 174.700 -0.022 0.000 1.021 215 T CA 0.732 62.821 62.100 -0.018 0.000 0.957 215 T CB 0.757 69.614 68.868 -0.018 0.000 1.047 215 T HN 1.325 nan 8.240 nan 0.000 0.511 216 G N 1.569 110.353 108.800 -0.028 0.000 2.392 216 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.290 216 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.290 216 G C -0.590 174.290 174.900 -0.035 0.000 1.032 216 G CA -0.050 45.032 45.100 -0.030 0.000 1.269 216 G HN 0.710 nan 8.290 nan 0.000 0.511 217 E N 0.065 120.238 120.200 -0.046 0.000 2.314 217 E HA 0.421 4.771 4.350 -0.000 0.000 0.272 217 E C -1.467 175.091 176.600 -0.070 0.000 0.884 217 E CA -1.035 55.334 56.400 -0.051 0.000 0.753 217 E CB 1.875 31.546 29.700 -0.049 0.000 1.213 217 E HN 0.106 nan 8.360 nan 0.000 0.432 218 D N 2.105 122.464 120.400 -0.069 0.000 2.414 218 D HA 0.366 5.006 4.640 -0.000 0.000 0.232 218 D C -1.201 175.041 176.300 -0.096 0.000 1.070 218 D CA -0.264 53.685 54.000 -0.086 0.000 0.839 218 D CB 1.542 42.301 40.800 -0.069 0.000 1.079 218 D HN 0.252 nan 8.370 nan 0.000 0.521 219 V N 0.215 120.047 119.914 -0.136 0.000 2.932 219 V HA 0.906 5.026 4.120 -0.000 0.000 0.307 219 V C 0.247 176.209 176.094 -0.220 0.000 1.147 219 V CA -1.075 61.136 62.300 -0.148 0.000 0.951 219 V CB 1.623 33.363 31.823 -0.139 0.000 1.031 219 V HN 0.386 nan 8.190 nan 0.000 0.426 220 G N 1.392 110.084 108.800 -0.180 0.000 2.400 220 G HA2 0.518 4.478 3.960 -0.000 0.000 0.301 220 G HA3 0.518 4.478 3.960 -0.000 0.000 0.301 220 G C -0.002 174.770 174.900 -0.214 0.000 1.154 220 G CA -0.476 44.498 45.100 -0.211 0.000 0.852 220 G HN 0.645 nan 8.290 nan 0.000 0.511 221 F N 0.680 120.482 119.950 -0.247 0.000 2.037 221 F HA -0.244 4.283 4.527 -0.000 0.000 0.296 221 F C 2.631 178.293 175.800 -0.231 0.000 1.132 221 F CA 2.345 60.122 58.000 -0.373 0.000 1.211 221 F CB -0.510 38.178 39.000 -0.520 0.000 0.951 221 F HN 0.580 nan 8.300 nan 0.000 0.503 222 E N 0.451 120.691 120.200 0.067 0.000 2.048 222 E HA -0.287 4.063 4.350 -0.000 0.000 0.202 222 E C 2.174 178.835 176.600 0.102 0.000 1.021 222 E CA 2.021 58.549 56.400 0.214 0.000 0.825 222 E CB -0.593 29.222 29.700 0.192 0.000 0.756 222 E HN 0.496 nan 8.360 nan 0.000 0.454 223 E N -0.579 119.635 120.200 0.024 0.000 2.171 223 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 223 E C 2.051 178.627 176.600 -0.040 0.000 0.997 223 E CA 1.182 57.574 56.400 -0.015 0.000 0.810 223 E CB -0.191 29.487 29.700 -0.035 0.000 0.738 223 E HN 0.296 nan 8.360 nan 0.000 0.467 224 L N -0.264 120.929 121.223 -0.051 0.000 1.950 224 L HA 0.026 4.366 4.340 -0.000 0.000 0.210 224 L C 1.470 178.295 176.870 -0.075 0.000 1.079 224 L CA 2.414 57.213 54.840 -0.068 0.000 0.754 224 L CB -0.434 41.553 42.059 -0.121 0.000 0.889 224 L HN 0.080 nan 8.230 nan 0.000 0.433 225 G N -0.646 108.162 108.800 0.013 0.000 4.729 225 G HA2 0.522 4.482 3.960 -0.000 0.000 0.258 225 G HA3 0.522 4.482 3.960 -0.000 0.000 0.258 225 G C -0.034 174.929 174.900 0.105 0.000 1.188 225 G CA 0.080 45.099 45.100 -0.136 0.000 0.866 225 G HN 0.701 nan 8.290 nan 0.000 0.562 226 G N -0.244 108.601 108.800 0.074 0.000 2.583 226 G HA2 0.584 4.544 3.960 -0.000 0.000 0.280 226 G HA3 0.584 4.544 3.960 -0.000 0.000 0.280 226 G C 1.287 176.173 174.900 -0.022 0.000 1.376 226 G CA 0.360 45.517 45.100 0.096 0.000 1.043 226 G HN 0.558 nan 8.290 nan 0.000 0.538 227 A N -0.392 122.382 122.820 -0.076 0.000 1.834 227 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 227 A C 2.336 179.905 177.584 -0.025 0.000 1.203 227 A CA 2.174 54.184 52.037 -0.044 0.000 0.621 227 A CB -0.789 18.163 19.000 -0.081 0.000 0.841 227 A HN 0.606 nan 8.150 nan 0.000 0.446 228 R N -1.096 119.384 120.500 -0.033 0.000 2.133 228 R HA -0.151 4.189 4.340 -0.000 0.000 0.247 228 R C 2.259 178.550 176.300 -0.014 0.000 1.151 228 R CA 2.143 58.230 56.100 -0.021 0.000 0.971 228 R CB -0.615 29.676 30.300 -0.015 0.000 0.866 228 R HN 0.641 nan 8.270 nan 0.000 0.447 229 T N -0.188 114.335 114.554 -0.051 0.000 2.564 229 T HA -0.153 4.197 4.350 -0.000 0.000 0.259 229 T C 1.491 176.151 174.700 -0.067 0.000 1.087 229 T CA 1.398 63.439 62.100 -0.098 0.000 1.184 229 T CB -0.541 68.181 68.868 -0.243 0.000 0.864 229 T HN 0.386 nan 8.240 nan 0.000 0.403 230 H N 0.977 120.046 119.070 -0.001 0.000 2.518 230 H HA 0.035 4.591 4.556 -0.000 0.000 0.292 230 H C 1.900 177.169 175.328 -0.097 0.000 1.068 230 H CA 0.954 56.971 56.048 -0.051 0.000 1.275 230 H CB -0.354 29.385 29.762 -0.039 0.000 1.375 230 H HN 0.313 nan 8.280 nan 0.000 0.563 231 N N -0.636 118.096 118.700 0.052 0.000 2.392 231 N HA -0.063 4.677 4.740 -0.000 0.000 0.177 231 N C 1.200 176.769 175.510 0.097 0.000 1.066 231 N CA 0.753 53.816 53.050 0.023 0.000 0.895 231 N CB 0.508 38.990 38.487 -0.007 0.000 0.988 231 N HN 0.215 nan 8.380 nan 0.000 0.457 232 S N -3.206 112.567 115.700 0.121 0.000 2.780 232 S HA 0.302 4.772 4.470 -0.000 0.000 0.248 232 S C 0.783 175.541 174.600 0.262 0.000 1.036 232 S CA -0.301 58.022 58.200 0.203 0.000 1.061 232 S CB 0.555 63.821 63.200 0.110 0.000 1.037 232 S HN -0.007 nan 8.310 nan 0.000 0.584 233 T N 1.362 116.054 114.554 0.229 0.000 3.449 233 T HA 0.145 4.495 4.350 -0.000 0.000 0.268 233 T C 1.853 176.675 174.700 0.204 0.000 0.996 233 T CA 0.672 62.904 62.100 0.220 0.000 1.125 233 T CB -0.308 68.619 68.868 0.098 0.000 1.172 233 T HN 0.459 nan 8.240 nan 0.000 0.430 234 S N 1.315 117.056 115.700 0.070 0.000 2.406 234 S HA 0.267 4.737 4.470 -0.000 0.000 0.228 234 S C 2.007 176.424 174.600 -0.305 0.000 1.020 234 S CA 1.059 59.269 58.200 0.016 0.000 0.965 234 S CB -0.730 62.591 63.200 0.202 0.000 0.798 234 S HN 1.097 nan 8.310 nan 0.000 0.488 235 G N 0.613 108.969 108.800 -0.740 0.000 2.160 235 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.251 235 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.251 235 G C 0.697 175.144 174.900 -0.755 0.000 1.008 235 G CA 0.723 44.838 45.100 -1.641 0.000 0.724 235 G HN 1.470 nan 8.290 nan 0.000 0.514 236 V N -3.625 116.036 119.914 -0.422 0.000 3.174 236 V HA 0.744 4.864 4.120 -0.000 0.000 0.254 236 V C 1.354 177.264 176.094 -0.307 0.000 1.120 236 V CA 1.377 63.490 62.300 -0.312 0.000 1.114 236 V CB 0.074 31.727 31.823 -0.284 0.000 0.756 236 V HN 1.645 nan 8.190 nan 0.000 0.467 237 A N -0.388 122.269 122.820 -0.272 0.000 2.294 237 A HA 0.726 5.046 4.320 -0.000 0.000 0.330 237 A C 0.330 177.750 177.584 -0.272 0.000 1.133 237 A CA -0.187 51.758 52.037 -0.152 0.000 0.836 237 A CB 0.767 19.759 19.000 -0.014 0.000 1.190 237 A HN 0.536 nan 8.150 nan 0.000 0.492 238 H N -1.472 117.677 119.070 0.131 0.000 2.885 238 H HA 0.274 4.830 4.556 -0.000 0.000 0.260 238 H C -0.221 175.207 175.328 0.167 0.000 0.985 238 H CA 1.013 57.189 56.048 0.214 0.000 1.210 238 H CB 0.481 30.495 29.762 0.420 0.000 1.466 238 H HN 0.806 nan 8.280 nan 0.000 0.493 239 H N -0.343 118.732 119.070 0.008 0.000 3.068 239 H HA 0.362 4.918 4.556 -0.000 0.000 0.342 239 H C -1.619 173.603 175.328 -0.176 0.000 1.284 239 H CA -0.873 55.037 56.048 -0.229 0.000 1.181 239 H CB 1.350 30.661 29.762 -0.751 0.000 1.898 239 H HN 0.034 nan 8.280 nan 0.000 0.540 240 M N 3.972 123.205 119.600 -0.611 0.000 2.007 240 M HA 0.646 5.126 4.480 -0.000 0.000 0.285 240 M C -1.133 174.905 176.300 -0.436 0.000 0.893 240 M CA -0.606 54.474 55.300 -0.367 0.000 0.925 240 M CB 0.581 33.033 32.600 -0.247 0.000 1.568 240 M HN 0.723 nan 8.290 nan 0.000 0.414 241 A N 2.587 125.296 122.820 -0.185 0.000 2.310 241 A HA 0.604 4.924 4.320 -0.000 0.000 0.260 241 A C 1.090 178.641 177.584 -0.055 0.000 1.112 241 A CA 0.264 52.268 52.037 -0.055 0.000 0.804 241 A CB 0.053 19.092 19.000 0.066 0.000 1.081 241 A HN 1.011 nan 8.150 nan 0.000 0.499 242 G N -1.069 107.725 108.800 -0.009 0.000 2.623 242 G HA2 0.349 4.309 3.960 -0.000 0.000 0.214 242 G HA3 0.349 4.309 3.960 -0.000 0.000 0.214 242 G C 0.115 175.015 174.900 0.000 0.000 1.138 242 G CA 1.161 46.255 45.100 -0.009 0.000 0.794 242 G HN 1.033 nan 8.290 nan 0.000 0.535 243 D N -2.407 118.000 120.400 0.012 0.000 2.809 243 D HA 0.007 4.647 4.640 -0.000 0.000 0.336 243 D C 0.297 176.612 176.300 0.025 0.000 1.367 243 D CA -0.655 53.354 54.000 0.015 0.000 0.815 243 D CB -0.020 40.792 40.800 0.019 0.000 1.381 243 D HN -0.023 nan 8.370 nan 0.000 0.471 244 E N -0.498 119.717 120.200 0.025 0.000 2.268 244 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 244 E C 0.980 177.602 176.600 0.037 0.000 0.995 244 E CA 0.941 57.359 56.400 0.029 0.000 0.836 244 E CB 0.079 29.794 29.700 0.025 0.000 0.763 244 E HN 0.202 nan 8.360 nan 0.000 0.491 245 K N 1.014 121.436 120.400 0.037 0.000 1.984 245 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 245 K C 1.514 178.147 176.600 0.056 0.000 1.046 245 K CA 1.530 57.839 56.287 0.038 0.000 0.934 245 K CB -0.242 32.277 32.500 0.033 0.000 0.717 245 K HN -0.010 nan 8.250 nan 0.000 0.438 246 D N -0.009 120.431 120.400 0.067 0.000 2.309 246 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 246 D C 1.414 177.796 176.300 0.137 0.000 0.968 246 D CA 1.046 55.107 54.000 0.102 0.000 0.882 246 D CB -0.023 40.838 40.800 0.101 0.000 0.918 246 D HN 0.277 nan 8.370 nan 0.000 0.503 247 A N 0.041 122.926 122.820 0.108 0.000 1.850 247 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 247 A C 2.275 179.937 177.584 0.131 0.000 1.208 247 A CA 0.607 52.722 52.037 0.129 0.000 0.609 247 A CB -0.692 18.358 19.000 0.083 0.000 0.860 247 A HN 0.110 nan 8.150 nan 0.000 0.448 248 V N 0.707 120.666 119.914 0.076 0.000 2.546 248 V HA -0.248 3.872 4.120 -0.000 0.000 0.254 248 V C 2.516 178.639 176.094 0.049 0.000 1.076 248 V CA 2.438 64.765 62.300 0.046 0.000 1.087 248 V CB -0.834 30.996 31.823 0.013 0.000 0.674 248 V HN 0.702 nan 8.190 nan 0.000 0.470 249 E N -0.281 119.965 120.200 0.077 0.000 2.072 249 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 249 E C 2.012 178.669 176.600 0.095 0.000 0.982 249 E CA 1.228 57.669 56.400 0.067 0.000 0.803 249 E CB -0.441 29.308 29.700 0.082 0.000 0.755 249 E HN 0.655 nan 8.360 nan 0.000 0.453 250 Y N -0.010 120.308 120.300 0.030 0.000 2.181 250 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 250 Y C 2.255 178.177 175.900 0.037 0.000 1.146 250 Y CA 1.793 59.919 58.100 0.044 0.000 1.164 250 Y CB -0.442 37.962 38.460 -0.093 0.000 0.982 250 Y HN 0.047 nan 8.280 nan 0.000 0.515 251 V N 0.367 120.352 119.914 0.120 0.000 2.490 251 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 251 V C 2.030 178.045 176.094 -0.131 0.000 1.061 251 V CA 2.322 64.622 62.300 -0.001 0.000 1.064 251 V CB -0.375 31.468 31.823 0.034 0.000 0.670 251 V HN 0.448 nan 8.190 nan 0.000 0.461 252 K N -0.930 119.398 120.400 -0.120 0.000 2.062 252 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 252 K C 2.325 178.744 176.600 -0.302 0.000 1.051 252 K CA 1.369 57.553 56.287 -0.173 0.000 0.941 252 K CB -0.210 32.221 32.500 -0.113 0.000 0.719 252 K HN 0.414 nan 8.250 nan 0.000 0.440 253 Q N 0.514 120.104 119.800 -0.349 0.000 2.167 253 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 253 Q C 2.109 177.551 176.000 -0.930 0.000 0.970 253 Q CA 0.922 56.349 55.803 -0.626 0.000 0.855 253 Q CB -0.050 28.360 28.738 -0.546 0.000 0.911 253 Q HN 0.187 nan 8.270 nan 0.000 0.438 254 L N 0.456 121.267 121.223 -0.687 0.000 2.005 254 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 254 L C 2.181 178.715 176.870 -0.559 0.000 1.072 254 L CA 1.454 55.921 54.840 -0.621 0.000 0.744 254 L CB -0.785 41.000 42.059 -0.458 0.000 0.895 254 L HN 0.160 nan 8.230 nan 0.000 0.433 255 L N -1.050 119.919 121.223 -0.423 0.000 2.261 255 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 255 L C 2.270 178.885 176.870 -0.424 0.000 1.114 255 L CA 0.963 55.587 54.840 -0.360 0.000 0.777 255 L CB -0.617 41.291 42.059 -0.252 0.000 0.910 255 L HN 0.246 nan 8.230 nan 0.000 0.440 256 S N -1.279 114.082 115.700 -0.566 0.000 2.447 256 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 256 S C 1.495 175.659 174.600 -0.727 0.000 1.006 256 S CA 0.969 58.786 58.200 -0.638 0.000 0.957 256 S CB -0.204 62.521 63.200 -0.792 0.000 0.773 256 S HN 0.421 nan 8.310 nan 0.000 0.507 257 Y N 0.769 120.727 120.300 -0.569 0.000 2.497 257 Y HA 0.415 4.965 4.550 -0.000 0.000 0.265 257 Y C 0.713 176.309 175.900 -0.508 0.000 1.111 257 Y CA -0.332 57.419 58.100 -0.582 0.000 1.288 257 Y CB -0.040 37.852 38.460 -0.947 0.000 1.082 257 Y HN 0.099 nan 8.280 nan 0.000 0.536 258 L N 2.956 123.944 121.223 -0.391 0.000 2.343 258 L HA 0.372 4.712 4.340 -0.000 0.000 0.275 258 L C -2.147 174.554 176.870 -0.281 0.000 1.056 258 L CA -2.194 52.450 54.840 -0.327 0.000 0.804 258 L CB 1.296 43.108 42.059 -0.412 0.000 1.203 258 L HN -0.175 nan 8.230 nan 0.000 0.440 259 P HA 0.112 nan 4.420 nan 0.000 0.274 259 P C -0.001 177.182 177.300 -0.195 0.000 1.256 259 P CA -0.407 62.595 63.100 -0.164 0.000 0.795 259 P CB 1.109 32.769 31.700 -0.067 0.000 1.038 260 S N 0.002 115.621 115.700 -0.135 0.000 2.428 260 S HA -0.064 4.406 4.470 -0.000 0.000 0.230 260 S C 0.750 175.295 174.600 -0.091 0.000 1.014 260 S CA 1.114 59.242 58.200 -0.120 0.000 0.957 260 S CB -0.692 62.456 63.200 -0.087 0.000 0.784 260 S HN 0.763 nan 8.310 nan 0.000 0.499 261 N N -0.693 117.982 118.700 -0.042 0.000 3.185 261 N HA 0.138 4.878 4.740 -0.000 0.000 0.238 261 N C -0.220 175.373 175.510 0.137 0.000 1.451 261 N CA -0.529 52.552 53.050 0.051 0.000 0.888 261 N CB 0.071 38.576 38.487 0.031 0.000 1.413 261 N HN -0.107 nan 8.380 nan 0.000 0.511 262 N N -0.159 118.675 118.700 0.222 0.000 2.348 262 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 262 N C 0.364 175.924 175.510 0.082 0.000 1.019 262 N CA 1.037 54.197 53.050 0.182 0.000 0.880 262 N CB -0.316 38.225 38.487 0.090 0.000 0.965 262 N HN 0.552 nan 8.380 nan 0.000 0.437 263 L N 0.047 121.301 121.223 0.051 0.000 2.660 263 L HA 0.267 4.607 4.340 -0.000 0.000 0.238 263 L C -0.052 176.825 176.870 0.011 0.000 1.161 263 L CA 0.173 55.025 54.840 0.020 0.000 0.937 263 L CB -0.958 41.105 42.059 0.006 0.000 1.122 263 L HN 0.048 nan 8.230 nan 0.000 0.435 264 S N -1.774 113.938 115.700 0.021 0.000 2.596 264 S HA 0.445 4.915 4.470 -0.000 0.000 0.270 264 S C -0.700 173.905 174.600 0.008 0.000 1.155 264 S CA -0.922 57.279 58.200 0.002 0.000 0.827 264 S CB 2.149 65.337 63.200 -0.020 0.000 1.130 264 S HN -0.013 nan 8.310 nan 0.000 0.467 265 E N 2.669 122.863 120.200 -0.011 0.000 2.313 265 E HA 0.336 4.686 4.350 -0.000 0.000 0.272 265 E C -2.294 174.280 176.600 -0.043 0.000 1.038 265 E CA -2.032 54.361 56.400 -0.011 0.000 0.863 265 E CB 0.294 29.984 29.700 -0.017 0.000 1.060 265 E HN 0.315 nan 8.360 nan 0.000 0.402 266 P HA 0.033 nan 4.420 nan 0.000 0.269 266 P C -2.387 174.820 177.300 -0.155 0.000 1.211 266 P CA -0.854 62.188 63.100 -0.096 0.000 0.781 266 P CB -0.565 31.099 31.700 -0.060 0.000 0.877 267 P HA 0.163 nan 4.420 nan 0.000 0.268 267 P C -0.819 176.188 177.300 -0.489 0.000 1.204 267 P CA 0.229 63.126 63.100 -0.339 0.000 0.768 267 P CB 0.538 32.012 31.700 -0.378 0.000 0.842 268 A N 2.945 125.469 122.820 -0.493 0.000 2.423 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.304 268 A C -1.246 176.005 177.584 -0.555 0.000 1.104 268 A CA -0.527 51.218 52.037 -0.487 0.000 0.757 268 A CB 1.009 19.894 19.000 -0.191 0.000 1.313 268 A HN 0.343 nan 8.150 nan 0.000 0.423 269 F N 1.447 121.385 119.950 -0.021 0.000 2.531 269 F HA 0.300 4.827 4.527 0.000 0.000 0.333 269 F C -2.113 173.684 175.800 -0.005 0.000 1.292 269 F CA -2.730 55.258 58.000 -0.020 0.000 1.184 269 F CB 0.810 39.792 39.000 -0.031 0.000 1.426 269 F HN 0.275 nan 8.300 nan 0.000 0.559 270 P HA -0.071 nan 4.420 nan 0.000 0.253 270 P C -0.559 176.792 177.300 0.086 0.000 1.159 270 P CA 0.601 63.752 63.100 0.085 0.000 0.779 270 P CB 0.251 31.984 31.700 0.056 0.000 0.745 271 E N 1.856 122.103 120.200 0.079 0.000 2.373 271 E HA 0.310 4.660 4.350 -0.000 0.000 0.251 271 E C -0.588 176.043 176.600 0.052 0.000 0.923 271 E CA -1.032 55.405 56.400 0.062 0.000 0.798 271 E CB 1.066 30.806 29.700 0.066 0.000 1.303 271 E HN 0.304 nan 8.360 nan 0.000 0.412 272 E N 2.544 122.768 120.200 0.040 0.000 2.608 272 E HA 0.077 4.427 4.350 -0.000 0.000 0.259 272 E C -0.586 176.036 176.600 0.036 0.000 0.951 272 E CA 0.191 56.612 56.400 0.035 0.000 0.945 272 E CB 0.527 30.243 29.700 0.026 0.000 0.916 272 E HN 0.629 nan 8.360 nan 0.000 0.477 273 A N 4.298 127.141 122.820 0.038 0.000 2.293 273 A HA 0.145 4.465 4.320 -0.000 0.000 0.302 273 A C -0.377 177.226 177.584 0.031 0.000 1.119 273 A CA -0.665 51.396 52.037 0.040 0.000 0.823 273 A CB 0.935 19.965 19.000 0.050 0.000 1.097 273 A HN 0.745 nan 8.150 nan 0.000 0.491 274 D N 1.462 121.880 120.400 0.030 0.000 2.363 274 D HA 0.108 4.748 4.640 -0.000 0.000 0.263 274 D C -0.054 176.261 176.300 0.025 0.000 1.258 274 D CA 0.298 54.312 54.000 0.024 0.000 0.907 274 D CB 0.106 40.918 40.800 0.021 0.000 1.107 274 D HN 0.360 nan 8.370 nan 0.000 0.495 275 L N 3.105 124.340 121.223 0.019 0.000 2.968 275 L HA 0.405 4.745 4.340 -0.000 0.000 0.235 275 L C 0.370 177.248 176.870 0.012 0.000 1.323 275 L CA -0.368 54.482 54.840 0.015 0.000 1.159 275 L CB -0.387 41.678 42.059 0.009 0.000 1.523 275 L HN 0.371 nan 8.230 nan 0.000 0.468 276 A N -0.207 122.623 122.820 0.016 0.000 2.498 276 A HA 0.632 4.952 4.320 -0.000 0.000 0.298 276 A C -0.337 177.258 177.584 0.019 0.000 1.075 276 A CA -0.608 51.438 52.037 0.014 0.000 0.714 276 A CB 1.645 20.651 19.000 0.011 0.000 1.299 276 A HN 0.005 nan 8.150 nan 0.000 0.407 277 V N 1.149 121.074 119.914 0.017 0.000 2.434 277 V HA 0.446 4.566 4.120 -0.000 0.000 0.281 277 V C 0.691 176.795 176.094 0.016 0.000 1.005 277 V CA 0.428 62.739 62.300 0.018 0.000 1.089 277 V CB -0.869 30.961 31.823 0.011 0.000 0.978 277 V HN 1.127 nan 8.190 nan 0.000 0.474 278 T N 0.948 115.515 114.554 0.021 0.000 2.816 278 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 278 T C 0.650 175.361 174.700 0.018 0.000 0.993 278 T CA -0.105 62.005 62.100 0.016 0.000 0.994 278 T CB 1.225 70.100 68.868 0.013 0.000 1.025 278 T HN 0.596 nan 8.240 nan 0.000 0.529 279 D N 0.311 120.720 120.400 0.015 0.000 2.178 279 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 279 D C 1.952 178.274 176.300 0.037 0.000 0.974 279 D CA 1.089 55.100 54.000 0.018 0.000 0.841 279 D CB -0.190 40.618 40.800 0.014 0.000 0.953 279 D HN 0.685 nan 8.370 nan 0.000 0.478 280 E N 0.591 120.812 120.200 0.034 0.000 2.106 280 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 280 E C 1.536 178.243 176.600 0.178 0.000 0.984 280 E CA 0.759 57.198 56.400 0.064 0.000 0.806 280 E CB -0.076 29.569 29.700 -0.091 0.000 0.750 280 E HN 0.215 nan 8.360 nan 0.000 0.458 281 D N 0.171 120.637 120.400 0.111 0.000 2.123 281 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 281 D C 1.839 178.168 176.300 0.048 0.000 0.992 281 D CA 1.442 55.513 54.000 0.118 0.000 0.833 281 D CB -0.365 40.469 40.800 0.058 0.000 0.954 281 D HN 0.208 nan 8.370 nan 0.000 0.455 282 A N 1.263 124.096 122.820 0.022 0.000 1.892 282 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 282 A C 2.008 179.565 177.584 -0.045 0.000 1.188 282 A CA 1.831 53.854 52.037 -0.023 0.000 0.631 282 A CB -0.761 18.232 19.000 -0.011 0.000 0.822 282 A HN 0.261 nan 8.150 nan 0.000 0.447 283 E N -0.803 119.398 120.200 0.002 0.000 2.253 283 E HA -0.253 4.097 4.350 -0.000 0.000 0.202 283 E C 1.743 178.252 176.600 -0.152 0.000 1.014 283 E CA 1.163 57.542 56.400 -0.035 0.000 0.823 283 E CB -0.329 29.409 29.700 0.063 0.000 0.736 283 E HN 0.459 nan 8.360 nan 0.000 0.478 284 L N 1.414 122.516 121.223 -0.202 0.000 1.994 284 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 284 L C 1.748 178.417 176.870 -0.336 0.000 1.071 284 L CA 1.800 56.453 54.840 -0.312 0.000 0.745 284 L CB -0.553 41.304 42.059 -0.337 0.000 0.892 284 L HN 0.062 nan 8.230 nan 0.000 0.431 285 D N -1.148 119.073 120.400 -0.298 0.000 2.239 285 D HA -0.199 4.441 4.640 -0.000 0.000 0.202 285 D C 1.861 178.047 176.300 -0.191 0.000 0.993 285 D CA 1.883 55.722 54.000 -0.268 0.000 0.874 285 D CB -0.056 40.632 40.800 -0.186 0.000 0.922 285 D HN 0.505 nan 8.370 nan 0.000 0.464 286 T N -2.307 112.153 114.554 -0.156 0.000 3.054 286 T HA 0.152 4.502 4.350 -0.000 0.000 0.255 286 T C 1.857 176.484 174.700 -0.121 0.000 1.035 286 T CA -0.332 61.701 62.100 -0.112 0.000 0.941 286 T CB -0.055 68.767 68.868 -0.077 0.000 1.026 286 T HN 0.099 nan 8.240 nan 0.000 0.533 287 I N 1.550 122.019 120.570 -0.170 0.000 2.394 287 I HA 0.101 4.271 4.170 -0.000 0.000 0.251 287 I C 0.009 175.967 176.117 -0.264 0.000 1.136 287 I CA 0.635 61.824 61.300 -0.186 0.000 1.425 287 I CB 0.261 38.135 38.000 -0.210 0.000 1.079 287 I HN 0.062 nan 8.210 nan 0.000 0.425 288 V N 4.911 124.664 119.914 -0.269 0.000 2.405 288 V HA 0.184 4.304 4.120 -0.000 0.000 0.264 288 V C -1.846 174.180 176.094 -0.113 0.000 1.048 288 V CA -1.272 60.856 62.300 -0.288 0.000 0.966 288 V CB 0.070 31.803 31.823 -0.151 0.000 1.015 288 V HN 0.230 nan 8.190 nan 0.000 0.477 289 P HA 0.204 nan 4.420 nan 0.000 0.272 289 P C 0.027 177.337 177.300 0.018 0.000 1.230 289 P CA -0.324 62.777 63.100 0.002 0.000 0.788 289 P CB 1.303 33.028 31.700 0.042 0.000 0.949 290 D N -0.402 120.009 120.400 0.018 0.000 2.144 290 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 290 D C 0.967 177.290 176.300 0.039 0.000 0.978 290 D CA 1.251 55.267 54.000 0.026 0.000 0.833 290 D CB -0.488 40.323 40.800 0.019 0.000 0.961 290 D HN 0.338 nan 8.370 nan 0.000 0.470 291 S N 0.322 116.046 115.700 0.040 0.000 2.465 291 S HA 0.259 4.729 4.470 -0.000 0.000 0.307 291 S C 1.290 175.927 174.600 0.062 0.000 1.187 291 S CA -0.121 58.106 58.200 0.045 0.000 1.141 291 S CB 0.592 63.815 63.200 0.038 0.000 1.108 291 S HN 0.187 nan 8.310 nan 0.000 0.525 292 A N 5.158 128.019 122.820 0.067 0.000 2.245 292 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 292 A C 1.732 179.365 177.584 0.082 0.000 1.171 292 A CA 1.321 53.409 52.037 0.085 0.000 0.688 292 A CB -0.367 18.688 19.000 0.092 0.000 0.781 292 A HN 0.878 nan 8.150 nan 0.000 0.479 293 N N -1.002 117.735 118.700 0.063 0.000 2.203 293 N HA 0.048 4.788 4.740 -0.000 0.000 0.207 293 N C 0.128 175.665 175.510 0.045 0.000 1.130 293 N CA 0.071 53.151 53.050 0.051 0.000 0.861 293 N CB 0.445 38.954 38.487 0.036 0.000 1.005 293 N HN 0.724 nan 8.380 nan 0.000 0.507 294 Q N 1.764 121.600 119.800 0.060 0.000 2.307 294 Q HA 0.375 4.715 4.340 -0.000 0.000 0.262 294 Q C -2.660 173.399 176.000 0.098 0.000 0.961 294 Q CA -1.704 54.135 55.803 0.060 0.000 0.882 294 Q CB 1.829 30.601 28.738 0.057 0.000 1.264 294 Q HN -0.046 nan 8.270 nan 0.000 0.446 295 P HA 0.237 nan 4.420 nan 0.000 0.278 295 P C -1.736 175.636 177.300 0.121 0.000 1.266 295 P CA -0.189 62.931 63.100 0.032 0.000 0.807 295 P CB 0.427 32.084 31.700 -0.071 0.000 1.094 296 Y N -2.868 117.415 120.300 -0.028 0.000 2.513 296 Y HA 0.539 5.089 4.550 -0.000 0.000 0.340 296 Y C -0.867 175.005 175.900 -0.046 0.000 1.055 296 Y CA -1.691 56.391 58.100 -0.031 0.000 1.020 296 Y CB 0.452 38.904 38.460 -0.014 0.000 1.301 296 Y HN 0.110 nan 8.280 nan 0.000 0.453 297 D N 3.282 123.691 120.400 0.014 0.000 2.363 297 D HA 0.015 4.655 4.640 -0.000 0.000 0.263 297 D C 0.908 177.198 176.300 -0.016 0.000 1.258 297 D CA 0.145 54.096 54.000 -0.083 0.000 0.907 297 D CB 1.135 41.889 40.800 -0.077 0.000 1.107 297 D HN 0.793 nan 8.370 nan 0.000 0.495 298 M N 4.366 123.895 119.600 -0.117 0.000 2.267 298 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 298 M C 1.320 177.618 176.300 -0.003 0.000 1.063 298 M CA 1.740 57.007 55.300 -0.055 0.000 1.090 298 M CB -0.351 32.189 32.600 -0.100 0.000 1.392 298 M HN 0.565 nan 8.290 nan 0.000 0.422 299 H N -1.799 117.175 119.070 -0.160 0.000 2.352 299 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 299 H C 2.252 177.497 175.328 -0.137 0.000 1.097 299 H CA 1.402 57.328 56.048 -0.203 0.000 1.311 299 H CB -0.261 29.455 29.762 -0.077 0.000 1.377 299 H HN 0.509 nan 8.280 nan 0.000 0.504 300 S N 0.414 116.169 115.700 0.093 0.000 2.400 300 S HA -0.131 4.339 4.470 -0.000 0.000 0.232 300 S C 2.244 176.855 174.600 0.018 0.000 1.025 300 S CA 1.221 59.471 58.200 0.083 0.000 0.993 300 S CB -0.350 62.882 63.200 0.053 0.000 0.808 300 S HN 0.167 nan 8.310 nan 0.000 0.478 301 V N 2.123 122.000 119.914 -0.062 0.000 2.255 301 V HA -0.092 4.028 4.120 -0.000 0.000 0.243 301 V C 2.325 178.248 176.094 -0.286 0.000 1.038 301 V CA 1.835 64.041 62.300 -0.156 0.000 1.008 301 V CB -0.796 30.900 31.823 -0.211 0.000 0.645 301 V HN 0.495 nan 8.190 nan 0.000 0.449 302 I N 0.481 120.752 120.570 -0.499 0.000 2.087 302 I HA -0.340 3.830 4.170 -0.000 0.000 0.240 302 I C 2.582 178.583 176.117 -0.194 0.000 1.054 302 I CA 2.139 63.112 61.300 -0.545 0.000 1.311 302 I CB -0.750 36.796 38.000 -0.757 0.000 1.024 302 I HN 0.413 nan 8.210 nan 0.000 0.402 303 E N -0.173 119.968 120.200 -0.097 0.000 2.331 303 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 303 E C 1.761 178.397 176.600 0.059 0.000 1.008 303 E CA 1.108 57.534 56.400 0.043 0.000 0.843 303 E CB -0.313 29.443 29.700 0.092 0.000 0.761 303 E HN 0.618 nan 8.360 nan 0.000 0.507 304 H N -0.837 118.217 119.070 -0.025 0.000 2.555 304 H HA -0.018 4.538 4.556 -0.000 0.000 0.269 304 H C 1.808 177.167 175.328 0.053 0.000 0.988 304 H CA 0.933 56.990 56.048 0.016 0.000 1.178 304 H CB 0.484 30.252 29.762 0.010 0.000 1.373 304 H HN 0.145 nan 8.280 nan 0.000 0.588 305 V N -2.839 117.158 119.914 0.138 0.000 3.612 305 V HA 0.273 4.393 4.120 -0.000 0.000 0.268 305 V C 0.406 176.595 176.094 0.159 0.000 1.365 305 V CA -0.124 62.281 62.300 0.175 0.000 1.044 305 V CB 0.119 32.104 31.823 0.270 0.000 0.820 305 V HN 0.001 nan 8.190 nan 0.000 0.444 306 L N 2.339 123.647 121.223 0.142 0.000 2.312 306 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 306 L C -0.264 176.684 176.870 0.129 0.000 1.070 306 L CA -0.687 54.250 54.840 0.161 0.000 0.805 306 L CB 0.710 42.892 42.059 0.205 0.000 1.174 306 L HN 0.148 nan 8.230 nan 0.000 0.434 307 D N 2.880 123.359 120.400 0.132 0.000 2.629 307 D HA -0.112 4.528 4.640 -0.000 0.000 0.228 307 D C 0.579 176.942 176.300 0.105 0.000 1.127 307 D CA 0.690 54.755 54.000 0.109 0.000 0.855 307 D CB 0.415 41.287 40.800 0.119 0.000 1.180 307 D HN 0.600 nan 8.370 nan 0.000 0.484 308 D N 1.186 121.630 120.400 0.073 0.000 3.059 308 D HA -0.308 4.332 4.640 -0.000 0.000 0.222 308 D C 0.650 176.993 176.300 0.071 0.000 1.185 308 D CA 1.188 55.227 54.000 0.064 0.000 0.904 308 D CB -1.125 39.719 40.800 0.074 0.000 1.122 308 D HN 0.746 nan 8.370 nan 0.000 0.410 309 A N -0.192 122.671 122.820 0.072 0.000 2.832 309 A HA -0.284 4.036 4.320 -0.000 0.000 0.280 309 A C 0.424 178.095 177.584 0.145 0.000 1.464 309 A CA 1.856 53.941 52.037 0.079 0.000 0.804 309 A CB -1.633 17.382 19.000 0.024 0.000 1.020 309 A HN 0.395 nan 8.150 nan 0.000 0.563 310 E N -0.355 119.951 120.200 0.177 0.000 2.001 310 E HA 0.566 4.916 4.350 -0.000 0.000 0.279 310 E C -0.633 176.151 176.600 0.307 0.000 1.045 310 E CA -0.490 56.044 56.400 0.223 0.000 0.833 310 E CB -0.055 29.766 29.700 0.203 0.000 1.077 310 E HN 0.581 nan 8.360 nan 0.000 0.397 311 F N 6.267 126.294 119.950 0.129 0.000 2.332 311 F HA 0.362 4.889 4.527 -0.000 0.000 0.368 311 F C -1.376 174.518 175.800 0.156 0.000 1.110 311 F CA -1.561 56.500 58.000 0.101 0.000 1.087 311 F CB 0.295 39.299 39.000 0.007 0.000 1.235 311 F HN 0.378 nan 8.300 nan 0.000 0.470 312 F N 6.447 126.149 119.950 -0.413 0.000 2.404 312 F HA 0.281 4.808 4.527 -0.000 0.000 0.359 312 F C 0.161 175.539 175.800 -0.702 0.000 1.134 312 F CA -0.325 57.453 58.000 -0.370 0.000 1.160 312 F CB 0.156 39.029 39.000 -0.212 0.000 1.186 312 F HN 0.577 nan 8.300 nan 0.000 0.526 313 E N 3.972 123.683 120.200 -0.815 0.000 2.249 313 E HA 0.371 4.721 4.350 -0.000 0.000 0.280 313 E C -0.819 175.574 176.600 -0.345 0.000 1.016 313 E CA -0.570 55.431 56.400 -0.666 0.000 0.830 313 E CB 0.938 30.436 29.700 -0.337 0.000 1.081 313 E HN 0.611 nan 8.360 nan 0.000 0.395 314 T N 1.688 116.136 114.554 -0.177 0.000 2.824 314 T HA 0.277 4.627 4.350 -0.000 0.000 0.282 314 T C -0.471 174.305 174.700 0.127 0.000 0.993 314 T CA -0.795 61.354 62.100 0.083 0.000 0.967 314 T CB 1.332 70.339 68.868 0.232 0.000 0.960 314 T HN 0.669 nan 8.240 nan 0.000 0.441 315 Q N 0.862 120.783 119.800 0.201 0.000 2.456 315 Q HA -0.115 4.225 4.340 -0.000 0.000 0.325 315 Q C -2.093 173.993 176.000 0.142 0.000 1.453 315 Q CA 0.116 56.025 55.803 0.176 0.000 0.848 315 Q CB -1.399 27.469 28.738 0.217 0.000 1.123 315 Q HN 0.615 nan 8.270 nan 0.000 0.374 316 P HA -0.117 nan 4.420 nan 0.000 0.220 316 P C 1.151 178.513 177.300 0.104 0.000 1.152 316 P CA 0.846 64.008 63.100 0.104 0.000 0.812 316 P CB 0.218 31.968 31.700 0.084 0.000 0.792 317 L N -2.862 118.419 121.223 0.096 0.000 2.131 317 L HA 0.028 4.368 4.340 -0.000 0.000 0.206 317 L C 1.237 178.205 176.870 0.163 0.000 1.087 317 L CA 0.274 55.176 54.840 0.103 0.000 0.767 317 L CB -0.630 41.472 42.059 0.072 0.000 0.917 317 L HN -0.046 nan 8.230 nan 0.000 0.441 318 F N 1.361 121.326 119.950 0.025 0.000 2.443 318 F HA 0.423 4.950 4.527 -0.000 0.000 0.353 318 F C 1.034 176.855 175.800 0.034 0.000 1.101 318 F CA -0.794 57.219 58.000 0.023 0.000 1.226 318 F CB 0.534 39.537 39.000 0.005 0.000 1.140 318 F HN 0.100 nan 8.300 nan 0.000 0.557 319 A N 5.697 128.110 122.820 -0.678 0.000 2.364 319 A HA -0.206 4.114 4.320 -0.000 0.000 0.288 319 A C -1.894 175.610 177.584 -0.134 0.000 1.433 319 A CA 0.471 52.211 52.037 -0.495 0.000 0.757 319 A CB -1.949 16.684 19.000 -0.611 0.000 1.098 319 A HN 0.687 nan 8.150 nan 0.000 0.380 320 P HA -0.172 nan 4.420 nan 0.000 0.229 320 P C 1.318 178.687 177.300 0.114 0.000 1.150 320 P CA 1.333 64.489 63.100 0.092 0.000 0.765 320 P CB -0.100 31.676 31.700 0.127 0.000 0.783 321 N N -0.503 118.276 118.700 0.131 0.000 2.396 321 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 321 N C 0.631 176.166 175.510 0.042 0.000 1.028 321 N CA 0.618 53.752 53.050 0.139 0.000 0.893 321 N CB -0.193 38.388 38.487 0.157 0.000 0.967 321 N HN 0.254 nan 8.380 nan 0.000 0.440 322 I N 0.398 120.979 120.570 0.018 0.000 2.569 322 I HA 0.350 4.520 4.170 -0.000 0.000 0.296 322 I C -1.318 174.822 176.117 0.039 0.000 1.028 322 I CA -1.065 60.243 61.300 0.014 0.000 1.082 322 I CB 1.730 39.728 38.000 -0.003 0.000 1.264 322 I HN -0.165 nan 8.210 nan 0.000 0.429 323 L N 6.213 127.467 121.223 0.051 0.000 2.307 323 L HA 0.636 4.976 4.340 -0.000 0.000 0.284 323 L C -0.314 176.573 176.870 0.028 0.000 1.023 323 L CA -0.498 54.389 54.840 0.078 0.000 0.810 323 L CB 1.655 43.771 42.059 0.095 0.000 1.231 323 L HN 0.597 nan 8.230 nan 0.000 0.423 324 T N -0.256 114.254 114.554 -0.074 0.000 2.921 324 T HA 0.882 5.232 4.350 -0.000 0.000 0.297 324 T C -0.278 174.063 174.700 -0.598 0.000 1.013 324 T CA -0.247 61.596 62.100 -0.429 0.000 0.990 324 T CB 2.147 70.568 68.868 -0.744 0.000 1.023 324 T HN 0.902 nan 8.240 nan 0.000 0.447 325 G N 1.669 110.059 108.800 -0.684 0.000 2.500 325 G HA2 0.614 4.574 3.960 -0.000 0.000 0.299 325 G HA3 0.614 4.574 3.960 -0.000 0.000 0.299 325 G C -2.177 172.552 174.900 -0.286 0.000 1.242 325 G CA -0.861 43.914 45.100 -0.542 0.000 0.859 325 G HN 0.629 nan 8.290 nan 0.000 0.481 326 F N -0.461 119.412 119.950 -0.128 0.000 2.593 326 F HA 0.856 5.383 4.527 -0.000 0.000 0.320 326 F C 0.781 176.343 175.800 -0.396 0.000 1.060 326 F CA 0.345 58.166 58.000 -0.298 0.000 0.940 326 F CB 2.580 41.056 39.000 -0.875 0.000 1.268 326 F HN 0.908 nan 8.300 nan 0.000 0.475 327 G N 0.779 109.543 108.800 -0.060 0.000 2.619 327 G HA2 0.688 4.648 3.960 -0.000 0.000 0.305 327 G HA3 0.688 4.648 3.960 -0.000 0.000 0.305 327 G C -1.920 173.101 174.900 0.202 0.000 1.330 327 G CA -0.995 44.173 45.100 0.114 0.000 0.789 327 G HN 0.492 nan 8.290 nan 0.000 0.487 328 R N -1.087 119.560 120.500 0.246 0.000 2.673 328 R HA 0.640 4.980 4.340 -0.000 0.000 0.281 328 R C -1.614 174.794 176.300 0.180 0.000 0.991 328 R CA -0.669 55.566 56.100 0.224 0.000 0.896 328 R CB 2.748 33.189 30.300 0.235 0.000 1.201 328 R HN 0.331 nan 8.270 nan 0.000 0.457 329 V N 2.353 122.359 119.914 0.154 0.000 2.482 329 V HA 0.198 4.318 4.120 -0.000 0.000 0.295 329 V C 0.102 176.260 176.094 0.106 0.000 1.026 329 V CA -0.596 61.783 62.300 0.132 0.000 0.856 329 V CB 1.340 33.244 31.823 0.136 0.000 1.001 329 V HN 0.930 nan 8.190 nan 0.000 0.424 330 E N 3.513 123.772 120.200 0.097 0.000 2.297 330 E HA -0.290 4.060 4.350 -0.000 0.000 0.228 330 E C 1.388 178.039 176.600 0.085 0.000 1.213 330 E CA 0.698 57.148 56.400 0.082 0.000 0.712 330 E CB -1.037 28.703 29.700 0.067 0.000 1.202 330 E HN 1.519 nan 8.360 nan 0.000 0.376 331 G N -0.036 108.828 108.800 0.107 0.000 2.353 331 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.258 331 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.258 331 G C 0.410 175.336 174.900 0.044 0.000 1.013 331 G CA 0.761 45.930 45.100 0.115 0.000 0.622 331 G HN 0.353 nan 8.290 nan 0.000 0.535 332 R N 1.470 121.997 120.500 0.044 0.000 2.340 332 R HA 0.385 4.725 4.340 -0.000 0.000 0.300 332 R C -2.497 173.847 176.300 0.073 0.000 1.069 332 R CA -1.627 54.485 56.100 0.021 0.000 0.984 332 R CB 0.744 31.061 30.300 0.028 0.000 1.003 332 R HN 0.159 nan 8.270 nan 0.000 0.459 333 P HA -0.014 nan 4.420 nan 0.000 0.271 333 P C -0.736 176.674 177.300 0.183 0.000 1.216 333 P CA -0.118 63.087 63.100 0.175 0.000 0.776 333 P CB 0.894 32.681 31.700 0.145 0.000 0.881 334 V N 0.241 120.295 119.914 0.233 0.000 3.181 334 V HA 0.975 5.095 4.120 -0.000 0.000 0.308 334 V C -0.406 175.849 176.094 0.269 0.000 1.214 334 V CA -1.061 61.371 62.300 0.220 0.000 1.053 334 V CB 1.931 33.863 31.823 0.182 0.000 1.069 334 V HN 0.581 nan 8.190 nan 0.000 0.441 335 G N 1.217 110.131 108.800 0.190 0.000 2.530 335 G HA2 0.715 4.675 3.960 -0.000 0.000 0.316 335 G HA3 0.715 4.675 3.960 -0.000 0.000 0.316 335 G C -1.433 173.617 174.900 0.249 0.000 1.298 335 G CA -0.667 44.523 45.100 0.149 0.000 0.948 335 G HN 0.674 nan 8.290 nan 0.000 0.486 336 I N 1.096 121.844 120.570 0.296 0.000 2.460 336 I HA 0.487 4.657 4.170 -0.000 0.000 0.298 336 I C -0.202 176.033 176.117 0.198 0.000 0.989 336 I CA -0.989 60.490 61.300 0.297 0.000 1.173 336 I CB 2.297 40.559 38.000 0.437 0.000 1.338 336 I HN 0.162 nan 8.210 nan 0.000 0.456 337 V N 5.107 125.133 119.914 0.187 0.000 2.445 337 V HA 0.817 4.937 4.120 -0.000 0.000 0.283 337 V C -0.339 175.838 176.094 0.139 0.000 1.014 337 V CA -0.444 61.936 62.300 0.133 0.000 0.852 337 V CB 1.124 33.062 31.823 0.192 0.000 1.021 337 V HN 0.877 nan 8.190 nan 0.000 0.435 338 A N 3.919 126.805 122.820 0.110 0.000 2.454 338 A HA 0.812 5.132 4.320 -0.000 0.000 0.302 338 A C -0.516 177.088 177.584 0.034 0.000 1.079 338 A CA -0.823 51.275 52.037 0.101 0.000 0.731 338 A CB 1.310 20.387 19.000 0.129 0.000 1.299 338 A HN 0.745 nan 8.150 nan 0.000 0.413 339 N N 0.676 119.376 118.700 0.001 0.000 2.529 339 N HA 0.412 5.152 4.740 -0.000 0.000 0.278 339 N C -0.418 175.051 175.510 -0.069 0.000 1.146 339 N CA -0.085 52.941 53.050 -0.039 0.000 0.980 339 N CB 0.834 39.278 38.487 -0.072 0.000 1.124 339 N HN 0.598 nan 8.380 nan 0.000 0.458 340 Q N 3.289 123.053 119.800 -0.060 0.000 2.466 340 Q HA 0.348 4.688 4.340 -0.000 0.000 0.242 340 Q C -2.310 173.604 176.000 -0.143 0.000 1.046 340 Q CA -2.109 53.638 55.803 -0.094 0.000 0.841 340 Q CB 1.411 30.136 28.738 -0.022 0.000 1.193 340 Q HN 0.345 nan 8.270 nan 0.000 0.508 341 P HA -0.199 nan 4.420 nan 0.000 0.220 341 P C 0.846 178.035 177.300 -0.185 0.000 1.144 341 P CA 1.273 64.227 63.100 -0.243 0.000 0.800 341 P CB 0.160 31.599 31.700 -0.434 0.000 0.772 342 M N -1.467 118.014 119.600 -0.198 0.000 2.067 342 M HA -0.100 4.380 4.480 -0.000 0.000 0.260 342 M C 0.779 176.955 176.300 -0.206 0.000 1.069 342 M CA 1.605 56.796 55.300 -0.181 0.000 1.117 342 M CB -1.495 30.995 32.600 -0.183 0.000 1.334 342 M HN 0.038 nan 8.290 nan 0.000 0.407 343 Q N 0.915 120.609 119.800 -0.177 0.000 2.314 343 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 343 Q C -0.490 175.472 176.000 -0.064 0.000 0.975 343 Q CA -0.235 55.409 55.803 -0.266 0.000 0.933 343 Q CB -0.003 28.729 28.738 -0.010 0.000 1.195 343 Q HN 0.392 nan 8.270 nan 0.000 0.426 344 F N 0.470 120.386 119.950 -0.056 0.000 2.970 344 F HA -0.328 4.199 4.527 -0.000 0.000 0.251 344 F C 1.167 176.938 175.800 -0.049 0.000 0.993 344 F CA 0.624 58.596 58.000 -0.047 0.000 0.869 344 F CB -2.480 36.492 39.000 -0.046 0.000 0.762 344 F HN 0.779 nan 8.300 nan 0.000 0.817 345 A N -1.419 121.419 122.820 0.030 0.000 3.100 345 A HA 0.087 4.407 4.320 -0.000 0.000 0.268 345 A C 2.263 179.846 177.584 -0.001 0.000 1.227 345 A CA 1.656 53.699 52.037 0.009 0.000 0.967 345 A CB -1.851 17.172 19.000 0.038 0.000 1.066 345 A HN 2.712 nan 8.150 nan 0.000 0.787 346 G N -2.783 106.031 108.800 0.022 0.000 2.221 346 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.265 346 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.265 346 G C 0.572 175.455 174.900 -0.028 0.000 1.041 346 G CA 0.632 45.727 45.100 -0.009 0.000 0.807 346 G HN 1.647 nan 8.290 nan 0.000 0.502 347 C N -0.632 118.670 119.300 0.003 0.000 2.705 347 C HA 0.549 5.009 4.460 -0.000 0.000 0.365 347 C C 1.308 176.229 174.990 -0.115 0.000 1.353 347 C CA -0.341 58.645 59.018 -0.053 0.000 2.339 347 C CB 0.382 28.117 27.740 -0.007 0.000 2.576 347 C HN 0.521 nan 8.230 nan 0.000 0.716 348 L N 2.849 123.943 121.223 -0.215 0.000 2.296 348 L HA 0.455 4.795 4.340 -0.000 0.000 0.286 348 L C 0.019 176.864 176.870 -0.041 0.000 1.023 348 L CA 0.212 54.910 54.840 -0.237 0.000 0.812 348 L CB 0.731 42.420 42.059 -0.617 0.000 1.223 348 L HN 0.812 nan 8.230 nan 0.000 0.421 349 D N 2.907 123.303 120.400 -0.006 0.000 2.592 349 D HA 0.289 4.929 4.640 -0.000 0.000 0.263 349 D C 1.103 177.431 176.300 0.047 0.000 1.132 349 D CA -0.704 53.321 54.000 0.041 0.000 0.996 349 D CB 1.627 42.379 40.800 -0.080 0.000 1.442 349 D HN 0.289 nan 8.370 nan 0.000 0.486 350 I N 0.360 120.956 120.570 0.045 0.000 2.065 350 I HA -0.391 3.779 4.170 -0.000 0.000 0.236 350 I C 2.814 178.949 176.117 0.031 0.000 1.028 350 I CA 2.915 64.243 61.300 0.047 0.000 1.299 350 I CB -0.911 37.110 38.000 0.035 0.000 1.015 350 I HN 0.687 nan 8.210 nan 0.000 0.396 351 T N -0.120 114.414 114.554 -0.033 0.000 2.624 351 T HA -0.296 4.054 4.350 -0.000 0.000 0.268 351 T C 1.941 176.563 174.700 -0.130 0.000 1.041 351 T CA 1.671 63.706 62.100 -0.107 0.000 1.159 351 T CB -0.848 67.755 68.868 -0.442 0.000 0.863 351 T HN 0.440 nan 8.240 nan 0.000 0.434 352 A N 1.018 123.747 122.820 -0.152 0.000 1.902 352 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 352 A C 2.764 180.361 177.584 0.022 0.000 1.181 352 A CA 2.082 54.068 52.037 -0.086 0.000 0.623 352 A CB -1.333 17.613 19.000 -0.090 0.000 0.818 352 A HN 0.546 nan 8.150 nan 0.000 0.443 353 S N -0.768 114.964 115.700 0.054 0.000 2.383 353 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 353 S C 1.932 176.600 174.600 0.113 0.000 1.030 353 S CA 1.720 59.984 58.200 0.108 0.000 1.002 353 S CB -0.262 63.028 63.200 0.151 0.000 0.829 353 S HN 0.693 nan 8.310 nan 0.000 0.467 354 E N 0.447 120.719 120.200 0.119 0.000 2.060 354 E HA -0.068 4.282 4.350 -0.000 0.000 0.189 354 E C 2.134 178.838 176.600 0.174 0.000 0.974 354 E CA 0.539 57.020 56.400 0.136 0.000 0.808 354 E CB -0.118 29.673 29.700 0.152 0.000 0.768 354 E HN 0.387 nan 8.360 nan 0.000 0.453 355 K N 1.288 121.829 120.400 0.236 0.000 1.980 355 K HA -0.264 4.056 4.320 -0.000 0.000 0.223 355 K C 2.208 178.922 176.600 0.191 0.000 1.052 355 K CA 1.778 58.227 56.287 0.270 0.000 0.974 355 K CB -0.286 32.362 32.500 0.246 0.000 0.734 355 K HN 0.076 nan 8.250 nan 0.000 0.447 356 A N 0.905 123.808 122.820 0.137 0.000 1.892 356 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 356 A C 2.395 180.069 177.584 0.150 0.000 1.188 356 A CA 2.520 54.636 52.037 0.130 0.000 0.631 356 A CB -1.148 17.919 19.000 0.111 0.000 0.822 356 A HN 0.627 nan 8.150 nan 0.000 0.447 357 A N -0.976 121.915 122.820 0.117 0.000 1.927 357 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 357 A C 2.210 179.835 177.584 0.068 0.000 1.185 357 A CA 2.040 54.123 52.037 0.078 0.000 0.639 357 A CB -0.494 18.554 19.000 0.080 0.000 0.820 357 A HN 0.342 nan 8.150 nan 0.000 0.451 358 R N -1.780 118.784 120.500 0.106 0.000 2.235 358 R HA 0.025 4.365 4.340 -0.000 0.000 0.213 358 R C 1.522 177.896 176.300 0.123 0.000 1.059 358 R CA 0.744 56.896 56.100 0.088 0.000 0.997 358 R CB -0.885 29.482 30.300 0.110 0.000 0.884 358 R HN 0.606 nan 8.270 nan 0.000 0.462 359 F N -0.171 119.780 119.950 0.002 0.000 2.188 359 F HA -0.079 4.448 4.527 -0.000 0.000 0.289 359 F C 2.069 177.838 175.800 -0.052 0.000 1.082 359 F CA 0.852 58.851 58.000 -0.002 0.000 1.282 359 F CB -0.387 38.619 39.000 0.011 0.000 1.060 359 F HN -0.256 nan 8.300 nan 0.000 0.493 360 V N 1.542 121.470 119.914 0.023 0.000 2.453 360 V HA -0.324 3.796 4.120 -0.000 0.000 0.252 360 V C 2.485 178.471 176.094 -0.180 0.000 1.068 360 V CA 2.041 64.236 62.300 -0.175 0.000 1.070 360 V CB -0.853 30.745 31.823 -0.374 0.000 0.664 360 V HN 0.303 nan 8.190 nan 0.000 0.461 361 R N -0.360 120.066 120.500 -0.123 0.000 2.075 361 R HA -0.059 4.281 4.340 -0.000 0.000 0.226 361 R C 2.420 178.624 176.300 -0.160 0.000 1.114 361 R CA 1.623 57.654 56.100 -0.115 0.000 0.972 361 R CB -0.905 29.352 30.300 -0.072 0.000 0.869 361 R HN 0.486 nan 8.270 nan 0.000 0.437 362 T N 0.809 115.264 114.554 -0.165 0.000 2.759 362 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 362 T C 2.038 176.725 174.700 -0.022 0.000 1.042 362 T CA 1.264 63.290 62.100 -0.124 0.000 1.140 362 T CB -0.232 68.539 68.868 -0.162 0.000 0.864 362 T HN 0.317 nan 8.240 nan 0.000 0.455 363 C N 0.951 120.151 119.300 -0.167 0.000 2.475 363 C HA 0.005 4.465 4.460 -0.000 0.000 0.279 363 C C 2.626 177.603 174.990 -0.021 0.000 1.322 363 C CA 0.297 59.275 59.018 -0.066 0.000 1.734 363 C CB -0.856 26.744 27.740 -0.235 0.000 2.005 363 C HN 0.654 nan 8.230 nan 0.000 0.495 364 D N 1.161 121.503 120.400 -0.096 0.000 2.117 364 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 364 D C 2.127 178.358 176.300 -0.115 0.000 0.982 364 D CA 1.561 55.510 54.000 -0.084 0.000 0.828 364 D CB -0.138 40.605 40.800 -0.095 0.000 0.967 364 D HN 0.356 nan 8.370 nan 0.000 0.464 365 A N -0.882 121.798 122.820 -0.234 0.000 2.070 365 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 365 A C 1.065 178.369 177.584 -0.467 0.000 1.159 365 A CA 0.765 52.550 52.037 -0.421 0.000 0.656 365 A CB -0.546 18.047 19.000 -0.678 0.000 0.800 365 A HN 0.322 nan 8.150 nan 0.000 0.453 366 F N -0.378 119.561 119.950 -0.017 0.000 2.791 366 F HA 0.231 4.758 4.527 0.000 0.000 0.308 366 F C 0.325 176.122 175.800 -0.004 0.000 1.138 366 F CA -0.824 57.172 58.000 -0.007 0.000 1.294 366 F CB -1.068 37.937 39.000 0.009 0.000 0.975 366 F HN 0.328 nan 8.300 nan 0.000 0.512 367 N N -0.756 118.015 118.700 0.117 0.000 2.721 367 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 367 N C -0.941 174.620 175.510 0.085 0.000 1.072 367 N CA 0.176 53.272 53.050 0.077 0.000 0.710 367 N CB -1.551 36.974 38.487 0.065 0.000 0.993 367 N HN 0.058 nan 8.380 nan 0.000 0.547 368 V N 0.309 120.286 119.914 0.104 0.000 2.384 368 V HA 0.395 4.515 4.120 -0.000 0.000 0.287 368 V C -1.860 174.285 176.094 0.085 0.000 1.020 368 V CA -1.736 60.637 62.300 0.122 0.000 0.850 368 V CB 1.695 33.645 31.823 0.212 0.000 0.987 368 V HN -0.054 nan 8.190 nan 0.000 0.436 369 P HA 0.055 nan 4.420 nan 0.000 0.267 369 P C -0.693 176.652 177.300 0.076 0.000 1.200 369 P CA 0.137 63.278 63.100 0.068 0.000 0.772 369 P CB 0.503 32.247 31.700 0.073 0.000 0.855 370 V N 5.171 125.122 119.914 0.063 0.000 2.293 370 V HA 0.202 4.322 4.120 -0.000 0.000 0.275 370 V C 0.231 176.376 176.094 0.084 0.000 1.021 370 V CA -0.388 61.960 62.300 0.081 0.000 0.815 370 V CB 0.407 32.263 31.823 0.055 0.000 1.025 370 V HN 0.379 nan 8.190 nan 0.000 0.448 371 L N 4.475 125.746 121.223 0.081 0.000 2.319 371 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 371 L C 0.584 177.408 176.870 -0.077 0.000 1.099 371 L CA 0.269 55.091 54.840 -0.030 0.000 0.828 371 L CB 1.288 43.365 42.059 0.032 0.000 1.150 371 L HN 0.663 nan 8.230 nan 0.000 0.442 372 T N 3.068 117.480 114.554 -0.237 0.000 2.815 372 T HA 0.526 4.876 4.350 -0.000 0.000 0.289 372 T C -0.758 173.672 174.700 -0.449 0.000 1.000 372 T CA -0.409 61.585 62.100 -0.176 0.000 0.958 372 T CB 0.289 69.165 68.868 0.013 0.000 0.944 372 T HN 0.190 nan 8.240 nan 0.000 0.442 373 F N 4.343 124.262 119.950 -0.052 0.000 2.404 373 F HA 0.552 5.079 4.527 -0.000 0.000 0.354 373 F C 0.267 175.982 175.800 -0.141 0.000 1.122 373 F CA -0.802 57.124 58.000 -0.124 0.000 1.080 373 F CB 1.639 40.563 39.000 -0.126 0.000 1.131 373 F HN 0.327 nan 8.300 nan 0.000 0.471 374 V N 2.171 122.044 119.914 -0.070 0.000 2.539 374 V HA 0.477 4.597 4.120 -0.000 0.000 0.292 374 V C -0.546 175.484 176.094 -0.107 0.000 1.045 374 V CA -0.500 61.742 62.300 -0.097 0.000 0.945 374 V CB 1.682 33.431 31.823 -0.124 0.000 0.993 374 V HN 0.721 nan 8.190 nan 0.000 0.464 375 D N 2.288 122.624 120.400 -0.106 0.000 3.785 375 D HA 0.054 4.694 4.640 -0.000 0.000 0.241 375 D C -1.326 174.898 176.300 -0.128 0.000 1.488 375 D CA -0.081 53.852 54.000 -0.112 0.000 0.912 375 D CB 1.036 41.793 40.800 -0.070 0.000 1.418 375 D HN 0.401 nan 8.370 nan 0.000 0.749 376 V N 2.966 122.787 119.914 -0.155 0.000 2.370 376 V HA 0.574 4.694 4.120 -0.000 0.000 0.283 376 V C -1.607 174.397 176.094 -0.150 0.000 1.023 376 V CA -1.864 60.346 62.300 -0.150 0.000 0.857 376 V CB 2.027 33.747 31.823 -0.172 0.000 0.985 376 V HN 0.088 nan 8.190 nan 0.000 0.443 377 P HA 0.228 nan 4.420 nan 0.000 0.217 377 P C 0.615 178.042 177.300 0.212 0.000 1.154 377 P CA 1.683 64.857 63.100 0.124 0.000 0.841 377 P CB 0.534 32.305 31.700 0.119 0.000 0.788 378 G N -1.445 107.382 108.800 0.045 0.000 2.335 378 G HA2 0.347 4.307 3.960 -0.000 0.000 0.291 378 G HA3 0.347 4.307 3.960 -0.000 0.000 0.291 378 G C -1.814 173.024 174.900 -0.104 0.000 1.261 378 G CA -0.797 44.326 45.100 0.039 0.000 0.871 378 G HN -0.031 nan 8.290 nan 0.000 0.491 379 F N 0.421 120.403 119.950 0.053 0.000 2.408 379 F HA 0.528 5.055 4.527 -0.000 0.000 0.344 379 F C 0.835 176.644 175.800 0.015 0.000 1.112 379 F CA -0.529 57.487 58.000 0.027 0.000 1.096 379 F CB 1.774 40.788 39.000 0.023 0.000 1.129 379 F HN 0.340 nan 8.300 nan 0.000 0.486 380 L N 6.732 128.052 121.223 0.161 0.000 2.841 380 L HA -0.008 4.332 4.340 -0.000 0.000 0.282 380 L C -2.261 174.661 176.870 0.087 0.000 1.130 380 L CA -0.754 54.134 54.840 0.079 0.000 0.996 380 L CB -0.731 41.336 42.059 0.013 0.000 1.364 380 L HN 0.310 nan 8.230 nan 0.000 0.466 381 P HA 0.516 nan 4.420 nan 0.000 0.269 381 P C -0.248 177.074 177.300 0.037 0.000 1.209 381 P CA -0.034 63.100 63.100 0.057 0.000 0.776 381 P CB 1.039 32.769 31.700 0.050 0.000 0.876 382 G N -0.062 108.758 108.800 0.034 0.000 2.337 382 G HA2 0.117 4.077 3.960 -0.000 0.000 0.310 382 G HA3 0.117 4.077 3.960 -0.000 0.000 0.310 382 G C 0.048 174.968 174.900 0.034 0.000 1.534 382 G CA -0.711 44.404 45.100 0.024 0.000 0.982 382 G HN 0.224 nan 8.290 nan 0.000 0.672 383 V N 0.966 120.897 119.914 0.027 0.000 3.052 383 V HA 0.042 4.162 4.120 -0.000 0.000 0.254 383 V C 2.573 178.717 176.094 0.083 0.000 1.100 383 V CA 2.138 64.474 62.300 0.059 0.000 1.112 383 V CB -0.231 31.583 31.823 -0.014 0.000 0.738 383 V HN 0.890 nan 8.190 nan 0.000 0.469 384 D N 0.091 120.507 120.400 0.027 0.000 2.117 384 D HA -0.257 4.383 4.640 -0.000 0.000 0.197 384 D C 1.868 178.203 176.300 0.058 0.000 0.987 384 D CA 1.195 55.213 54.000 0.030 0.000 0.829 384 D CB -0.273 40.528 40.800 0.003 0.000 0.961 384 D HN 0.373 nan 8.370 nan 0.000 0.460 385 Q N 0.387 120.214 119.800 0.045 0.000 2.084 385 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 385 Q C 2.159 178.185 176.000 0.042 0.000 0.978 385 Q CA 0.929 56.754 55.803 0.036 0.000 0.844 385 Q CB -0.143 28.614 28.738 0.031 0.000 0.898 385 Q HN 0.484 nan 8.270 nan 0.000 0.426 386 E N 0.513 120.753 120.200 0.067 0.000 2.017 386 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 386 E C 1.567 178.175 176.600 0.013 0.000 0.997 386 E CA 1.070 57.493 56.400 0.039 0.000 0.804 386 E CB -0.413 29.334 29.700 0.079 0.000 0.757 386 E HN 0.489 nan 8.360 nan 0.000 0.448 387 H N 0.415 119.477 119.070 -0.012 0.000 2.573 387 H HA -0.013 4.543 4.556 -0.000 0.000 0.279 387 H C 0.381 175.705 175.328 -0.007 0.000 1.066 387 H CA 0.648 56.691 56.048 -0.009 0.000 1.179 387 H CB 0.041 29.798 29.762 -0.007 0.000 1.303 387 H HN 0.093 nan 8.280 nan 0.000 0.626 388 D N -2.066 118.369 120.400 0.058 0.000 2.502 388 D HA 0.170 4.810 4.640 -0.000 0.000 0.232 388 D C 1.487 177.792 176.300 0.008 0.000 1.137 388 D CA 0.826 54.847 54.000 0.036 0.000 0.827 388 D CB 1.103 41.927 40.800 0.041 0.000 1.141 388 D HN 0.384 nan 8.370 nan 0.000 0.517 389 G N 1.655 110.448 108.800 -0.012 0.000 2.159 389 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.170 389 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.170 389 G C 1.070 175.955 174.900 -0.025 0.000 1.007 389 G CA 0.215 45.300 45.100 -0.024 0.000 0.672 389 G HN 0.228 nan 8.290 nan 0.000 0.507 390 I N 0.876 121.432 120.570 -0.023 0.000 2.285 390 I HA -0.264 3.906 4.170 -0.000 0.000 0.253 390 I C 2.356 178.433 176.117 -0.067 0.000 1.104 390 I CA 2.407 63.688 61.300 -0.032 0.000 1.372 390 I CB -0.198 37.772 38.000 -0.050 0.000 1.057 390 I HN 0.516 nan 8.210 nan 0.000 0.431 391 I N 0.812 121.336 120.570 -0.077 0.000 2.133 391 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 391 I C 2.362 178.450 176.117 -0.049 0.000 1.074 391 I CA 1.810 63.060 61.300 -0.083 0.000 1.342 391 I CB -0.530 37.424 38.000 -0.077 0.000 1.053 391 I HN 0.299 nan 8.210 nan 0.000 0.404 392 R N 1.243 121.721 120.500 -0.037 0.000 2.325 392 R HA 0.059 4.399 4.340 -0.000 0.000 0.214 392 R C 1.423 177.711 176.300 -0.019 0.000 0.961 392 R CA 0.454 56.537 56.100 -0.027 0.000 1.086 392 R CB -0.051 30.230 30.300 -0.031 0.000 1.037 392 R HN 0.379 nan 8.270 nan 0.000 0.493 393 R N -0.840 119.655 120.500 -0.007 0.000 2.470 393 R HA 0.167 4.507 4.340 -0.000 0.000 0.210 393 R C 1.950 178.278 176.300 0.047 0.000 0.873 393 R CA 0.460 56.568 56.100 0.014 0.000 1.015 393 R CB 0.253 30.566 30.300 0.021 0.000 1.348 393 R HN 0.275 nan 8.270 nan 0.000 0.650 394 G N 0.714 109.541 108.800 0.046 0.000 2.650 394 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.214 394 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.214 394 G C 1.343 176.313 174.900 0.118 0.000 1.136 394 G CA 0.681 45.849 45.100 0.113 0.000 0.789 394 G HN 0.311 nan 8.290 nan 0.000 0.536 395 A N 1.033 123.894 122.820 0.067 0.000 1.970 395 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 395 A C 2.206 179.867 177.584 0.129 0.000 1.170 395 A CA 1.440 53.532 52.037 0.092 0.000 0.645 395 A CB -0.237 18.801 19.000 0.063 0.000 0.816 395 A HN 0.312 nan 8.150 nan 0.000 0.447 396 K N -0.417 120.029 120.400 0.077 0.000 2.077 396 K HA -0.233 4.087 4.320 -0.000 0.000 0.213 396 K C 1.887 178.573 176.600 0.143 0.000 1.051 396 K CA 1.794 58.114 56.287 0.055 0.000 0.929 396 K CB -0.511 31.999 32.500 0.017 0.000 0.715 396 K HN 0.515 nan 8.250 nan 0.000 0.451 397 L N 1.404 122.723 121.223 0.160 0.000 1.994 397 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 397 L C 2.405 179.437 176.870 0.270 0.000 1.071 397 L CA 1.302 56.263 54.840 0.202 0.000 0.745 397 L CB -0.303 41.887 42.059 0.218 0.000 0.892 397 L HN 0.267 nan 8.230 nan 0.000 0.431 398 I N -3.859 116.857 120.570 0.243 0.000 2.454 398 I HA -0.299 3.871 4.170 -0.000 0.000 0.254 398 I C 2.402 178.651 176.117 0.219 0.000 1.156 398 I CA 1.430 62.859 61.300 0.214 0.000 1.433 398 I CB -0.690 37.394 38.000 0.139 0.000 1.082 398 I HN 0.163 nan 8.210 nan 0.000 0.432 399 F N 2.171 122.164 119.950 0.073 0.000 2.128 399 F HA -0.039 4.488 4.527 -0.000 0.000 0.295 399 F C 2.666 178.482 175.800 0.027 0.000 1.100 399 F CA 1.670 59.694 58.000 0.040 0.000 1.260 399 F CB -0.149 38.866 39.000 0.024 0.000 1.009 399 F HN 0.116 nan 8.300 nan 0.000 0.476 400 A N -0.210 122.806 122.820 0.326 0.000 1.873 400 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 400 A C 1.990 179.578 177.584 0.006 0.000 1.193 400 A CA 2.051 54.166 52.037 0.129 0.000 0.629 400 A CB -1.632 17.362 19.000 -0.011 0.000 0.826 400 A HN 0.535 nan 8.150 nan 0.000 0.447 401 Y N -0.272 120.055 120.300 0.045 0.000 2.224 401 Y HA -0.067 4.483 4.550 -0.000 0.000 0.289 401 Y C 2.913 178.782 175.900 -0.051 0.000 1.146 401 Y CA 0.946 59.041 58.100 -0.009 0.000 1.182 401 Y CB -0.516 37.932 38.460 -0.021 0.000 0.983 401 Y HN 0.340 nan 8.280 nan 0.000 0.524 402 A N -0.278 122.591 122.820 0.082 0.000 1.929 402 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 402 A C 2.182 179.701 177.584 -0.109 0.000 1.176 402 A CA 1.661 53.672 52.037 -0.044 0.000 0.628 402 A CB -0.644 18.284 19.000 -0.120 0.000 0.816 402 A HN 0.534 nan 8.150 nan 0.000 0.444 403 E N 0.390 120.501 120.200 -0.148 0.000 2.072 403 E HA 0.074 4.424 4.350 -0.000 0.000 0.191 403 E C 1.172 177.731 176.600 -0.068 0.000 0.985 403 E CA 0.507 56.817 56.400 -0.150 0.000 0.801 403 E CB -0.343 29.299 29.700 -0.097 0.000 0.750 403 E HN 0.548 nan 8.360 nan 0.000 0.452 404 A N 0.123 122.918 122.820 -0.041 0.000 2.614 404 A HA -0.025 4.295 4.320 -0.000 0.000 0.231 404 A C 0.951 178.519 177.584 -0.027 0.000 1.076 404 A CA 1.166 53.181 52.037 -0.037 0.000 0.767 404 A CB 0.076 19.053 19.000 -0.038 0.000 1.012 404 A HN 0.506 nan 8.150 nan 0.000 0.512 405 T N -2.307 112.232 114.554 -0.025 0.000 3.046 405 T HA 0.314 4.664 4.350 -0.000 0.000 0.270 405 T C 0.461 175.156 174.700 -0.008 0.000 0.920 405 T CA 0.473 62.562 62.100 -0.018 0.000 0.874 405 T CB -1.410 67.444 68.868 -0.024 0.000 1.214 405 T HN 1.437 nan 8.240 nan 0.000 0.536 406 V N -0.065 119.845 119.914 -0.006 0.000 3.376 406 V HA 0.468 4.588 4.120 -0.000 0.000 0.303 406 V C -2.775 173.327 176.094 0.015 0.000 1.100 406 V CA -2.295 60.009 62.300 0.006 0.000 1.126 406 V CB -0.429 31.401 31.823 0.011 0.000 1.085 406 V HN -0.041 nan 8.190 nan 0.000 0.480 407 P HA 0.247 nan 4.420 nan 0.000 0.263 407 P C -0.755 176.564 177.300 0.031 0.000 1.195 407 P CA 0.479 63.593 63.100 0.024 0.000 0.762 407 P CB 0.090 31.808 31.700 0.029 0.000 0.799 408 L N 5.456 126.696 121.223 0.027 0.000 2.318 408 L HA 0.457 4.797 4.340 -0.000 0.000 0.277 408 L C 0.001 176.871 176.870 0.002 0.000 1.008 408 L CA -0.324 54.540 54.840 0.039 0.000 0.846 408 L CB 0.761 42.856 42.059 0.059 0.000 1.220 408 L HN 0.268 nan 8.230 nan 0.000 0.423 409 I N 2.682 123.244 120.570 -0.014 0.000 2.362 409 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 409 I C -0.291 175.739 176.117 -0.146 0.000 0.994 409 I CA -0.125 61.140 61.300 -0.059 0.000 1.158 409 I CB 2.041 40.020 38.000 -0.035 0.000 1.315 409 I HN 0.487 nan 8.210 nan 0.000 0.451 410 T N 5.745 120.197 114.554 -0.171 0.000 2.807 410 T HA 0.472 4.822 4.350 -0.000 0.000 0.279 410 T C -0.346 174.197 174.700 -0.261 0.000 0.993 410 T CA -0.479 61.470 62.100 -0.251 0.000 0.970 410 T CB 2.129 70.855 68.868 -0.236 0.000 0.950 410 T HN 0.132 nan 8.240 nan 0.000 0.441 411 V N 4.573 124.261 119.914 -0.376 0.000 2.448 411 V HA 0.461 4.581 4.120 -0.000 0.000 0.295 411 V C -0.213 175.696 176.094 -0.308 0.000 1.025 411 V CA -0.807 61.309 62.300 -0.307 0.000 0.859 411 V CB 1.473 33.142 31.823 -0.258 0.000 0.988 411 V HN 0.817 nan 8.190 nan 0.000 0.431 412 I N 5.030 125.416 120.570 -0.307 0.000 2.306 412 I HA 0.203 4.373 4.170 -0.000 0.000 0.288 412 I C 1.544 177.363 176.117 -0.497 0.000 1.036 412 I CA -0.073 61.053 61.300 -0.291 0.000 1.221 412 I CB 1.696 39.604 38.000 -0.153 0.000 1.385 412 I HN 0.831 nan 8.210 nan 0.000 0.472 413 T N 2.886 117.099 114.554 -0.568 0.000 2.939 413 T HA 0.074 4.424 4.350 -0.000 0.000 0.254 413 T C 1.400 175.980 174.700 -0.200 0.000 1.041 413 T CA 0.615 62.263 62.100 -0.754 0.000 1.142 413 T CB 0.447 68.876 68.868 -0.731 0.000 0.874 413 T HN 0.606 nan 8.240 nan 0.000 0.452 414 R N 0.256 120.689 120.500 -0.112 0.000 3.040 414 R HA 0.387 4.727 4.340 -0.000 0.000 0.097 414 R C -0.813 175.409 176.300 -0.131 0.000 0.899 414 R CA -0.596 55.485 56.100 -0.032 0.000 0.710 414 R CB 0.405 30.759 30.300 0.090 0.000 0.643 414 R HN -0.011 nan 8.270 nan 0.000 0.353 415 K N 0.881 121.178 120.400 -0.173 0.000 2.350 415 K HA 0.407 4.727 4.320 -0.000 0.000 0.279 415 K C -1.189 175.089 176.600 -0.537 0.000 1.027 415 K CA 0.413 56.428 56.287 -0.455 0.000 0.969 415 K CB 1.521 33.812 32.500 -0.348 0.000 0.954 415 K HN 0.449 nan 8.250 nan 0.000 0.474 416 A N 4.170 126.475 122.820 -0.859 0.000 2.667 416 A HA 0.460 4.780 4.320 -0.000 0.000 0.291 416 A C -1.526 175.775 177.584 -0.472 0.000 1.123 416 A CA -0.773 50.995 52.037 -0.449 0.000 0.832 416 A CB 0.193 19.096 19.000 -0.162 0.000 1.396 416 A HN 0.474 nan 8.150 nan 0.000 0.401 417 F N 1.065 121.049 119.950 0.056 0.000 2.546 417 F HA 0.771 5.298 4.527 -0.000 0.000 0.320 417 F C 1.262 177.128 175.800 0.111 0.000 1.076 417 F CA -0.061 57.970 58.000 0.051 0.000 0.928 417 F CB 1.451 40.464 39.000 0.022 0.000 1.189 417 F HN 1.103 nan 8.300 nan 0.000 0.465 418 G N 1.440 110.435 108.800 0.325 0.000 2.602 418 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.317 418 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.317 418 G C 1.296 176.364 174.900 0.280 0.000 1.327 418 G CA 0.493 45.743 45.100 0.251 0.000 0.971 418 G HN 1.286 nan 8.290 nan 0.000 0.540 419 G N -0.255 108.707 108.800 0.270 0.000 2.469 419 G HA2 0.124 4.084 3.960 -0.000 0.000 0.219 419 G HA3 0.124 4.084 3.960 -0.000 0.000 0.219 419 G C 2.256 177.346 174.900 0.318 0.000 1.150 419 G CA 3.290 48.563 45.100 0.288 0.000 0.763 419 G HN 1.917 nan 8.290 nan 0.000 0.561 420 A N 0.461 123.472 122.820 0.318 0.000 1.915 420 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 420 A C 2.177 179.771 177.584 0.016 0.000 1.198 420 A CA 2.200 54.221 52.037 -0.027 0.000 0.647 420 A CB -0.982 17.893 19.000 -0.209 0.000 0.825 420 A HN 0.665 nan 8.150 nan 0.000 0.456 421 Y N 0.577 120.867 120.300 -0.016 0.000 2.014 421 Y HA -0.293 4.257 4.550 -0.000 0.000 0.272 421 Y C 2.037 177.923 175.900 -0.023 0.000 1.164 421 Y CA 1.867 59.944 58.100 -0.038 0.000 1.114 421 Y CB -0.740 37.724 38.460 0.007 0.000 0.961 421 Y HN 0.288 nan 8.280 nan 0.000 0.489 422 I N -0.595 119.766 120.570 -0.347 0.000 2.181 422 I HA -0.414 3.756 4.170 -0.000 0.000 0.247 422 I C 2.328 178.281 176.117 -0.273 0.000 1.081 422 I CA 1.766 62.847 61.300 -0.364 0.000 1.340 422 I CB -0.665 37.290 38.000 -0.075 0.000 1.036 422 I HN 0.239 nan 8.210 nan 0.000 0.417 423 V N 0.067 119.902 119.914 -0.132 0.000 2.270 423 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 423 V C 1.493 177.442 176.094 -0.241 0.000 1.043 423 V CA 1.125 63.382 62.300 -0.072 0.000 1.014 423 V CB -0.440 31.422 31.823 0.065 0.000 0.645 423 V HN 0.350 nan 8.190 nan 0.000 0.447 424 M N 1.291 120.719 119.600 -0.287 0.000 3.452 424 M HA 0.147 4.627 4.480 -0.000 0.000 0.210 424 M C 1.414 177.317 176.300 -0.661 0.000 1.646 424 M CA 0.406 55.475 55.300 -0.385 0.000 1.720 424 M CB -1.841 30.615 32.600 -0.239 0.000 1.239 424 M HN 0.462 nan 8.290 nan 0.000 0.530 425 G N 2.386 110.414 108.800 -1.286 0.000 2.449 425 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.304 425 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.304 425 G C 0.608 175.147 174.900 -0.602 0.000 0.962 425 G CA 0.667 44.999 45.100 -1.281 0.000 0.943 425 G HN 0.804 nan 8.290 nan 0.000 0.514 426 S N -1.395 113.973 115.700 -0.552 0.000 2.580 426 S HA 0.256 4.726 4.470 -0.000 0.000 0.266 426 S C 1.478 175.807 174.600 -0.451 0.000 1.354 426 S CA 0.422 58.311 58.200 -0.518 0.000 1.008 426 S CB 1.381 64.143 63.200 -0.730 0.000 0.898 426 S HN 0.540 nan 8.310 nan 0.000 0.555 427 K N 0.166 120.241 120.400 -0.541 0.000 2.209 427 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 427 K C 1.599 177.897 176.600 -0.504 0.000 1.048 427 K CA 1.266 57.272 56.287 -0.470 0.000 0.940 427 K CB -0.328 31.934 32.500 -0.396 0.000 0.729 427 K HN 0.756 nan 8.250 nan 0.000 0.451 428 H N -0.141 118.798 119.070 -0.219 0.000 2.489 428 H HA -0.101 4.455 4.556 -0.000 0.000 0.293 428 H C 1.436 176.675 175.328 -0.149 0.000 1.066 428 H CA 0.839 56.767 56.048 -0.200 0.000 1.305 428 H CB 0.146 29.761 29.762 -0.245 0.000 1.386 428 H HN 0.151 nan 8.280 nan 0.000 0.551 429 L N -0.319 120.831 121.223 -0.122 0.000 2.591 429 L HA 0.179 4.519 4.340 -0.000 0.000 0.228 429 L C 1.655 178.481 176.870 -0.073 0.000 1.133 429 L CA 1.059 55.849 54.840 -0.084 0.000 0.880 429 L CB -0.022 41.977 42.059 -0.099 0.000 1.033 429 L HN 0.527 nan 8.230 nan 0.000 0.450 430 G N -1.710 107.029 108.800 -0.103 0.000 2.184 430 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.206 430 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.206 430 G C 0.657 175.514 174.900 -0.071 0.000 0.995 430 G CA -0.019 45.036 45.100 -0.074 0.000 0.651 430 G HN 0.623 nan 8.290 nan 0.000 0.511 431 A N 0.452 123.209 122.820 -0.104 0.000 2.587 431 A HA 0.402 4.722 4.320 -0.000 0.000 0.233 431 A C 1.319 178.860 177.584 -0.072 0.000 1.049 431 A CA 1.289 53.273 52.037 -0.089 0.000 0.754 431 A CB 0.231 19.136 19.000 -0.157 0.000 0.977 431 A HN 0.293 nan 8.150 nan 0.000 0.509 432 D N 0.174 120.550 120.400 -0.041 0.000 2.162 432 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 432 D C -0.259 176.027 176.300 -0.023 0.000 0.964 432 D CA 1.327 55.311 54.000 -0.026 0.000 0.847 432 D CB 0.021 40.818 40.800 -0.006 0.000 0.988 432 D HN 0.299 nan 8.370 nan 0.000 0.480 433 L N 1.039 122.246 121.223 -0.026 0.000 2.439 433 L HA 0.295 4.635 4.340 -0.000 0.000 0.270 433 L C -1.155 175.686 176.870 -0.047 0.000 0.972 433 L CA -0.497 54.334 54.840 -0.015 0.000 0.836 433 L CB 1.987 44.060 42.059 0.023 0.000 1.255 433 L HN -0.264 nan 8.230 nan 0.000 0.404 434 N N 3.888 122.559 118.700 -0.048 0.000 2.443 434 N HA 0.706 5.446 4.740 -0.000 0.000 0.269 434 N C -1.306 174.172 175.510 -0.054 0.000 0.985 434 N CA -0.556 52.452 53.050 -0.069 0.000 0.921 434 N CB 1.725 40.173 38.487 -0.065 0.000 1.195 434 N HN 0.198 nan 8.380 nan 0.000 0.492 435 L N 1.328 122.503 121.223 -0.081 0.000 2.331 435 L HA 0.889 5.229 4.340 -0.000 0.000 0.275 435 L C 0.029 176.853 176.870 -0.076 0.000 1.022 435 L CA -1.250 53.542 54.840 -0.080 0.000 0.812 435 L CB 1.065 43.063 42.059 -0.100 0.000 1.257 435 L HN 0.587 nan 8.230 nan 0.000 0.435 436 A N 1.597 124.398 122.820 -0.031 0.000 2.381 436 A HA 0.681 5.001 4.320 -0.000 0.000 0.299 436 A C -1.497 176.167 177.584 0.134 0.000 1.049 436 A CA -0.565 51.451 52.037 -0.035 0.000 0.715 436 A CB 0.787 19.736 19.000 -0.086 0.000 1.222 436 A HN 0.514 nan 8.150 nan 0.000 0.428 437 W N 2.198 123.446 121.300 -0.087 0.000 2.215 437 W HA 0.442 5.102 4.660 -0.000 0.000 0.342 437 W C -2.068 174.400 176.519 -0.085 0.000 1.237 437 W CA -1.944 55.356 57.345 -0.074 0.000 1.283 437 W CB -0.091 29.338 29.460 -0.051 0.000 1.131 437 W HN 0.501 nan 8.180 nan 0.000 0.606 438 P HA -0.110 nan 4.420 nan 0.000 0.230 438 P C 1.241 178.628 177.300 0.145 0.000 1.158 438 P CA 1.758 64.936 63.100 0.129 0.000 0.769 438 P CB 0.005 31.798 31.700 0.155 0.000 0.807 439 T N -4.018 110.642 114.554 0.176 0.000 3.219 439 T HA 0.429 4.779 4.350 -0.000 0.000 0.249 439 T C 0.736 175.501 174.700 0.109 0.000 1.099 439 T CA -0.380 61.806 62.100 0.143 0.000 0.988 439 T CB -0.536 68.425 68.868 0.157 0.000 0.999 439 T HN -0.030 nan 8.240 nan 0.000 0.550 440 A N 1.214 124.081 122.820 0.079 0.000 2.295 440 A HA 0.685 5.005 4.320 -0.000 0.000 0.318 440 A C -0.230 177.355 177.584 0.002 0.000 1.134 440 A CA -0.938 51.099 52.037 -0.001 0.000 0.827 440 A CB 0.793 19.760 19.000 -0.054 0.000 1.136 440 A HN 0.549 nan 8.150 nan 0.000 0.493 441 Q N 1.194 120.965 119.800 -0.048 0.000 2.397 441 Q HA 0.483 4.823 4.340 -0.000 0.000 0.260 441 Q C -1.507 174.448 176.000 -0.075 0.000 1.002 441 Q CA 0.121 55.939 55.803 0.025 0.000 0.716 441 Q CB 1.818 30.650 28.738 0.157 0.000 1.258 441 Q HN 0.661 nan 8.270 nan 0.000 0.477 442 I N 2.164 122.715 120.570 -0.031 0.000 2.354 442 I HA 0.781 4.951 4.170 -0.000 0.000 0.286 442 I C -0.278 175.851 176.117 0.021 0.000 1.007 442 I CA -0.457 60.770 61.300 -0.123 0.000 1.167 442 I CB 1.185 39.034 38.000 -0.252 0.000 1.320 442 I HN 0.626 nan 8.210 nan 0.000 0.458 443 A N 4.454 127.374 122.820 0.168 0.000 2.581 443 A HA 0.562 4.882 4.320 -0.000 0.000 0.290 443 A C 0.555 178.260 177.584 0.202 0.000 1.119 443 A CA -0.561 51.595 52.037 0.199 0.000 0.670 443 A CB 0.952 20.108 19.000 0.261 0.000 1.280 443 A HN 0.430 nan 8.150 nan 0.000 0.425 444 V N -1.223 118.774 119.914 0.138 0.000 2.720 444 V HA 0.139 4.259 4.120 -0.000 0.000 0.256 444 V C 0.784 176.917 176.094 0.065 0.000 1.082 444 V CA 2.164 64.529 62.300 0.110 0.000 1.101 444 V CB -2.019 29.855 31.823 0.086 0.000 0.693 444 V HN 1.244 nan 8.190 nan 0.000 0.479 445 M N -1.842 117.728 119.600 -0.049 0.000 3.015 445 M HA 0.603 5.083 4.480 -0.000 0.000 0.272 445 M C -0.200 175.709 176.300 -0.652 0.000 1.085 445 M CA -0.265 54.860 55.300 -0.291 0.000 0.795 445 M CB 0.981 33.466 32.600 -0.193 0.000 1.632 445 M HN 0.050 nan 8.290 nan 0.000 0.535 446 G N 0.250 108.524 108.800 -0.876 0.000 2.614 446 G HA2 0.454 4.414 3.960 -0.000 0.000 0.239 446 G HA3 0.454 4.414 3.960 -0.000 0.000 0.239 446 G C 0.827 175.359 174.900 -0.614 0.000 1.240 446 G CA -0.039 44.559 45.100 -0.836 0.000 0.842 446 G HN 1.113 nan 8.290 nan 0.000 0.584 447 A N 0.586 123.085 122.820 -0.535 0.000 1.940 447 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 447 A C 2.232 179.617 177.584 -0.331 0.000 1.176 447 A CA 2.324 54.030 52.037 -0.551 0.000 0.631 447 A CB -0.594 18.259 19.000 -0.244 0.000 0.814 447 A HN 0.725 nan 8.150 nan 0.000 0.446 448 Q N -0.090 119.572 119.800 -0.229 0.000 1.803 448 Q HA -0.066 4.274 4.340 -0.000 0.000 0.284 448 Q C 1.943 177.861 176.000 -0.136 0.000 1.004 448 Q CA 2.524 58.244 55.803 -0.138 0.000 0.889 448 Q CB -1.355 27.314 28.738 -0.115 0.000 0.949 448 Q HN 0.415 nan 8.270 nan 0.000 0.418 449 G N -0.480 108.234 108.800 -0.143 0.000 2.564 449 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 449 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 449 G C 1.194 176.019 174.900 -0.126 0.000 1.120 449 G CA 1.116 46.149 45.100 -0.112 0.000 0.752 449 G HN 0.574 nan 8.290 nan 0.000 0.558 450 A N 0.615 123.310 122.820 -0.209 0.000 1.835 450 A HA 0.104 4.424 4.320 -0.000 0.000 0.213 450 A C 2.677 180.240 177.584 -0.035 0.000 1.210 450 A CA 2.036 53.949 52.037 -0.207 0.000 0.605 450 A CB -0.907 17.694 19.000 -0.664 0.000 0.860 450 A HN 0.827 nan 8.150 nan 0.000 0.447 451 V N -0.855 119.075 119.914 0.026 0.000 2.568 451 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 451 V C 1.788 177.943 176.094 0.103 0.000 1.072 451 V CA 2.253 64.656 62.300 0.173 0.000 1.084 451 V CB -1.305 30.668 31.823 0.250 0.000 0.676 451 V HN 0.465 nan 8.190 nan 0.000 0.469 452 N N 0.897 119.619 118.700 0.036 0.000 2.120 452 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 452 N C 1.648 177.167 175.510 0.015 0.000 1.024 452 N CA 2.138 55.204 53.050 0.026 0.000 0.852 452 N CB -0.304 38.183 38.487 0.001 0.000 1.003 452 N HN 0.510 nan 8.380 nan 0.000 0.424 453 I N 1.221 121.786 120.570 -0.008 0.000 2.206 453 I HA -0.117 4.053 4.170 -0.000 0.000 0.239 453 I C 2.323 178.414 176.117 -0.044 0.000 1.078 453 I CA 0.675 61.964 61.300 -0.019 0.000 1.367 453 I CB -0.589 37.398 38.000 -0.021 0.000 1.078 453 I HN 0.005 nan 8.210 nan 0.000 0.413 454 L N -0.395 120.769 121.223 -0.099 0.000 2.083 454 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 454 L C 0.920 177.597 176.870 -0.322 0.000 1.083 454 L CA 1.153 55.845 54.840 -0.247 0.000 0.752 454 L CB -0.600 41.233 42.059 -0.376 0.000 0.899 454 L HN 0.385 nan 8.230 nan 0.000 0.433 455 H N -0.809 118.286 119.070 0.041 0.000 2.474 455 H HA 0.196 4.752 4.556 -0.000 0.000 0.250 455 H C 1.142 176.482 175.328 0.020 0.000 1.307 455 H CA -0.178 55.887 56.048 0.029 0.000 1.058 455 H CB 0.285 30.068 29.762 0.036 0.000 1.693 455 H HN 0.235 nan 8.280 nan 0.000 0.552 456 R N 1.101 121.654 120.500 0.088 0.000 2.070 456 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 456 R C 2.097 178.430 176.300 0.055 0.000 1.138 456 R CA 1.367 57.501 56.100 0.056 0.000 0.936 456 R CB 0.254 30.571 30.300 0.029 0.000 0.839 456 R HN 0.208 nan 8.270 nan 0.000 0.429 457 R N -0.500 120.032 120.500 0.053 0.000 2.140 457 R HA 0.010 4.350 4.340 -0.000 0.000 0.213 457 R C 1.763 178.092 176.300 0.047 0.000 1.059 457 R CA 1.382 57.507 56.100 0.041 0.000 1.000 457 R CB 0.023 30.343 30.300 0.032 0.000 0.910 457 R HN 0.239 nan 8.270 nan 0.000 0.455 458 T N 1.179 115.778 114.554 0.075 0.000 2.822 458 T HA -0.181 4.169 4.350 -0.000 0.000 0.270 458 T C 1.502 176.216 174.700 0.023 0.000 1.064 458 T CA 1.364 63.501 62.100 0.061 0.000 1.131 458 T CB -0.106 68.831 68.868 0.115 0.000 0.858 458 T HN 0.210 nan 8.240 nan 0.000 0.483 459 I N 0.511 121.103 120.570 0.037 0.000 2.927 459 I HA 0.380 4.550 4.170 -0.000 0.000 0.268 459 I C 2.373 178.499 176.117 0.015 0.000 1.153 459 I CA 0.343 61.653 61.300 0.017 0.000 1.459 459 I CB -0.646 37.373 38.000 0.031 0.000 1.149 459 I HN 0.103 nan 8.210 nan 0.000 0.443 460 A N -0.206 122.627 122.820 0.022 0.000 1.892 460 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 460 A C 0.971 178.562 177.584 0.011 0.000 1.188 460 A CA 1.491 53.538 52.037 0.016 0.000 0.631 460 A CB -1.246 17.765 19.000 0.018 0.000 0.822 460 A HN 0.478 nan 8.150 nan 0.000 0.447 461 D N 0.200 120.607 120.400 0.011 0.000 2.660 461 D HA 0.346 4.986 4.640 -0.000 0.000 0.253 461 D C 0.335 176.637 176.300 0.003 0.000 1.256 461 D CA 1.710 55.714 54.000 0.007 0.000 0.914 461 D CB -0.454 40.350 40.800 0.007 0.000 1.137 461 D HN 0.994 nan 8.370 nan 0.000 0.542 462 A N 2.642 125.463 122.820 0.003 0.000 1.745 462 A HA 0.016 4.336 4.320 -0.000 0.000 0.374 462 A C 1.593 179.178 177.584 0.001 0.000 0.861 462 A CA 0.379 52.417 52.037 0.001 0.000 0.509 462 A CB -1.227 17.773 19.000 -0.001 0.000 2.176 462 A HN 0.747 nan 8.150 nan 0.000 0.304 463 G N 1.609 110.410 108.800 0.001 0.000 2.509 463 G HA2 0.156 4.116 3.960 -0.000 0.000 0.218 463 G HA3 0.156 4.116 3.960 -0.000 0.000 0.218 463 G C 0.483 175.383 174.900 -0.000 0.000 1.124 463 G CA 1.024 46.125 45.100 0.001 0.000 0.776 463 G HN 1.295 nan 8.290 nan 0.000 0.547 464 D N 1.183 121.582 120.400 -0.001 0.000 2.426 464 D HA 0.069 4.709 4.640 -0.000 0.000 0.261 464 D C 0.079 176.377 176.300 -0.003 0.000 1.245 464 D CA 0.126 54.125 54.000 -0.002 0.000 0.917 464 D CB -0.059 40.740 40.800 -0.002 0.000 1.123 464 D HN 0.080 nan 8.370 nan 0.000 0.508 465 D N 2.254 122.652 120.400 -0.003 0.000 2.848 465 D HA -0.193 4.447 4.640 -0.000 0.000 0.245 465 D C 0.509 176.805 176.300 -0.005 0.000 1.122 465 D CA 0.713 54.710 54.000 -0.005 0.000 0.769 465 D CB -0.886 39.910 40.800 -0.007 0.000 1.025 465 D HN 0.487 nan 8.370 nan 0.000 0.423 466 A N 0.982 123.801 122.820 -0.003 0.000 1.824 466 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 466 A C 1.817 179.400 177.584 -0.002 0.000 1.244 466 A CA 1.105 53.141 52.037 -0.002 0.000 0.604 466 A CB -0.169 18.831 19.000 0.001 0.000 0.900 466 A HN 0.223 nan 8.150 nan 0.000 0.455 467 E N 0.358 120.557 120.200 -0.001 0.000 2.463 467 E HA 0.058 4.408 4.350 -0.000 0.000 0.201 467 E C 1.548 178.147 176.600 -0.002 0.000 1.045 467 E CA 0.819 57.219 56.400 -0.000 0.000 0.872 467 E CB -0.390 29.310 29.700 0.001 0.000 0.797 467 E HN 0.536 nan 8.360 nan 0.000 0.538 468 A N -0.521 122.296 122.820 -0.005 0.000 2.251 468 A HA 0.048 4.368 4.320 -0.000 0.000 0.209 468 A C 1.608 179.185 177.584 -0.011 0.000 1.187 468 A CA 0.855 52.888 52.037 -0.006 0.000 0.823 468 A CB 0.199 19.196 19.000 -0.006 0.000 0.846 468 A HN 0.148 nan 8.150 nan 0.000 0.486 469 T N -1.911 112.635 114.554 -0.014 0.000 3.004 469 T HA 0.125 4.475 4.350 -0.000 0.000 0.266 469 T C 1.684 176.367 174.700 -0.027 0.000 0.986 469 T CA 0.293 62.377 62.100 -0.027 0.000 0.902 469 T CB 0.277 69.126 68.868 -0.032 0.000 1.118 469 T HN 0.403 nan 8.240 nan 0.000 0.522 470 R N 2.326 122.820 120.500 -0.009 0.000 2.062 470 R HA 0.430 4.770 4.340 -0.000 0.000 0.218 470 R C 2.410 178.715 176.300 0.009 0.000 1.161 470 R CA 1.438 57.540 56.100 0.004 0.000 0.994 470 R CB -0.956 29.349 30.300 0.007 0.000 0.888 470 R HN 0.160 nan 8.270 nan 0.000 0.442 471 A N 1.071 123.894 122.820 0.005 0.000 1.902 471 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 471 A C 2.231 179.822 177.584 0.012 0.000 1.181 471 A CA 1.673 53.715 52.037 0.008 0.000 0.623 471 A CB -0.652 18.352 19.000 0.005 0.000 0.818 471 A HN 0.393 nan 8.150 nan 0.000 0.443 472 R N -1.055 119.447 120.500 0.003 0.000 2.105 472 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 472 R C 1.881 178.184 176.300 0.005 0.000 1.135 472 R CA 1.579 57.679 56.100 0.001 0.000 0.967 472 R CB -0.320 29.974 30.300 -0.011 0.000 0.861 472 R HN 0.407 nan 8.270 nan 0.000 0.442 473 L N 0.828 122.051 121.223 0.000 0.000 2.023 473 L HA -0.049 4.291 4.340 -0.000 0.000 0.205 473 L C 2.209 179.133 176.870 0.089 0.000 1.073 473 L CA 1.445 56.291 54.840 0.009 0.000 0.745 473 L CB -0.450 41.589 42.059 -0.033 0.000 0.900 473 L HN 0.194 nan 8.230 nan 0.000 0.435 474 I N -0.594 120.024 120.570 0.080 0.000 2.113 474 I HA -0.393 3.777 4.170 -0.000 0.000 0.242 474 I C 2.607 178.785 176.117 0.102 0.000 1.064 474 I CA 1.783 63.134 61.300 0.085 0.000 1.320 474 I CB -0.516 37.499 38.000 0.025 0.000 1.028 474 I HN 0.488 nan 8.210 nan 0.000 0.406 475 Q N 1.411 121.251 119.800 0.067 0.000 2.112 475 Q HA -0.311 4.029 4.340 -0.000 0.000 0.206 475 Q C 1.922 177.975 176.000 0.087 0.000 0.987 475 Q CA 2.230 58.072 55.803 0.065 0.000 0.858 475 Q CB -0.323 28.439 28.738 0.040 0.000 0.905 475 Q HN 0.547 nan 8.270 nan 0.000 0.420 476 E N -0.940 119.308 120.200 0.080 0.000 2.118 476 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 476 E C 1.799 178.463 176.600 0.106 0.000 0.992 476 E CA 1.314 57.755 56.400 0.068 0.000 0.804 476 E CB -0.260 29.462 29.700 0.037 0.000 0.741 476 E HN 0.439 nan 8.360 nan 0.000 0.458 477 Y N 1.800 122.121 120.300 0.036 0.000 2.092 477 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 477 Y C 2.114 178.036 175.900 0.037 0.000 1.126 477 Y CA 2.134 60.259 58.100 0.042 0.000 1.111 477 Y CB -0.479 38.004 38.460 0.040 0.000 0.987 477 Y HN 0.148 nan 8.280 nan 0.000 0.489 478 E N -0.647 119.752 120.200 0.332 0.000 2.049 478 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 478 E C 1.340 178.037 176.600 0.162 0.000 1.007 478 E CA 1.869 58.402 56.400 0.223 0.000 0.809 478 E CB -0.846 28.932 29.700 0.131 0.000 0.749 478 E HN 0.433 nan 8.360 nan 0.000 0.450 479 D N 0.532 121.001 120.400 0.116 0.000 2.403 479 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 479 D C 1.056 177.390 176.300 0.056 0.000 0.995 479 D CA 1.123 55.168 54.000 0.074 0.000 0.928 479 D CB 0.269 41.099 40.800 0.049 0.000 0.887 479 D HN 0.409 nan 8.370 nan 0.000 0.529 480 A N -1.044 121.816 122.820 0.067 0.000 1.917 480 A HA 0.169 4.489 4.320 -0.000 0.000 0.200 480 A C 1.421 179.026 177.584 0.035 0.000 1.671 480 A CA -0.103 51.946 52.037 0.019 0.000 1.034 480 A CB 0.432 19.408 19.000 -0.040 0.000 1.057 480 A HN 0.085 nan 8.150 nan 0.000 0.507 481 L N -0.706 120.563 121.223 0.077 0.000 2.467 481 L HA 0.329 4.669 4.340 -0.000 0.000 0.213 481 L C 0.307 177.305 176.870 0.213 0.000 1.053 481 L CA 0.729 55.642 54.840 0.121 0.000 0.847 481 L CB -1.141 40.963 42.059 0.075 0.000 1.075 481 L HN 0.257 nan 8.230 nan 0.000 0.479 482 L N 2.801 124.184 121.223 0.267 0.000 2.450 482 L HA 0.024 4.364 4.340 -0.000 0.000 0.256 482 L C -0.101 176.889 176.870 0.200 0.000 1.374 482 L CA 0.474 55.462 54.840 0.248 0.000 1.210 482 L CB -1.608 40.594 42.059 0.239 0.000 1.394 482 L HN 0.508 nan 8.230 nan 0.000 0.438 483 N N -0.389 118.418 118.700 0.179 0.000 3.020 483 N HA 0.496 5.236 4.740 -0.000 0.000 0.248 483 N C -2.721 172.833 175.510 0.074 0.000 1.480 483 N CA -1.224 51.934 53.050 0.180 0.000 0.874 483 N CB 1.008 39.702 38.487 0.346 0.000 1.433 483 N HN -0.222 nan 8.380 nan 0.000 0.530 484 P HA 0.115 nan 4.420 nan 0.000 0.262 484 P C -0.120 177.008 177.300 -0.287 0.000 1.304 484 P CA 0.461 63.423 63.100 -0.231 0.000 0.859 484 P CB -0.093 31.421 31.700 -0.311 0.000 1.310 485 Y N 0.275 120.581 120.300 0.010 0.000 2.420 485 Y HA -0.051 4.499 4.550 -0.000 0.000 0.292 485 Y C 2.554 178.439 175.900 -0.026 0.000 1.119 485 Y CA 1.359 59.458 58.100 -0.002 0.000 1.229 485 Y CB -1.360 37.102 38.460 0.003 0.000 1.026 485 Y HN -0.059 nan 8.280 nan 0.000 0.554 486 T N -0.182 114.432 114.554 0.100 0.000 2.737 486 T HA -0.176 4.174 4.350 -0.000 0.000 0.265 486 T C 2.297 176.949 174.700 -0.080 0.000 1.038 486 T CA 1.270 63.376 62.100 0.010 0.000 1.144 486 T CB -0.625 68.244 68.868 0.002 0.000 0.866 486 T HN 0.407 nan 8.240 nan 0.000 0.434 487 A N 1.837 124.606 122.820 -0.085 0.000 1.877 487 A HA 0.234 4.554 4.320 -0.000 0.000 0.216 487 A C 2.629 180.148 177.584 -0.108 0.000 1.186 487 A CA 1.629 53.580 52.037 -0.143 0.000 0.620 487 A CB -1.213 17.792 19.000 0.008 0.000 0.822 487 A HN 0.520 nan 8.150 nan 0.000 0.443 488 A N -0.374 122.417 122.820 -0.049 0.000 2.234 488 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 488 A C 1.780 179.358 177.584 -0.009 0.000 1.167 488 A CA 1.505 53.529 52.037 -0.022 0.000 0.698 488 A CB -0.469 18.505 19.000 -0.044 0.000 0.779 488 A HN 0.701 nan 8.150 nan 0.000 0.475 489 E N -0.253 119.920 120.200 -0.044 0.000 2.075 489 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 489 E C 1.740 178.301 176.600 -0.065 0.000 0.969 489 E CA 0.696 57.074 56.400 -0.037 0.000 0.815 489 E CB -0.141 29.532 29.700 -0.045 0.000 0.776 489 E HN 0.683 nan 8.360 nan 0.000 0.457 490 R N 0.203 120.606 120.500 -0.161 0.000 2.313 490 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 490 R C 1.177 177.469 176.300 -0.013 0.000 0.958 490 R CA 0.629 56.633 56.100 -0.161 0.000 1.047 490 R CB 0.182 30.219 30.300 -0.438 0.000 0.955 490 R HN 0.238 nan 8.270 nan 0.000 0.481 491 G N 0.978 109.788 108.800 0.017 0.000 2.179 491 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 491 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 491 G C 0.679 175.709 174.900 0.217 0.000 0.977 491 G CA 0.329 45.489 45.100 0.100 0.000 0.641 491 G HN 0.507 nan 8.290 nan 0.000 0.533 492 Y N 0.233 120.570 120.300 0.061 0.000 2.102 492 Y HA -0.145 4.405 4.550 -0.000 0.000 0.280 492 Y C 2.164 178.073 175.900 0.014 0.000 1.178 492 Y CA 1.371 59.520 58.100 0.081 0.000 1.146 492 Y CB -0.198 38.390 38.460 0.213 0.000 0.968 492 Y HN 0.547 nan 8.280 nan 0.000 0.504 493 V N -2.254 117.771 119.914 0.184 0.000 2.612 493 V HA 0.178 4.298 4.120 -0.000 0.000 0.301 493 V C 0.218 176.339 176.094 0.044 0.000 1.046 493 V CA -0.906 61.439 62.300 0.074 0.000 0.946 493 V CB 1.843 33.686 31.823 0.032 0.000 1.003 493 V HN 0.094 nan 8.190 nan 0.000 0.459 494 D N 2.391 122.804 120.400 0.021 0.000 2.277 494 D HA 0.347 4.987 4.640 -0.000 0.000 0.208 494 D C 0.678 176.995 176.300 0.029 0.000 0.962 494 D CA 1.739 55.757 54.000 0.029 0.000 0.865 494 D CB 1.016 41.834 40.800 0.030 0.000 0.939 494 D HN 1.016 nan 8.370 nan 0.000 0.510 495 A N -0.408 122.414 122.820 0.004 0.000 2.583 495 A HA 0.402 4.722 4.320 -0.000 0.000 0.292 495 A C -1.405 176.156 177.584 -0.038 0.000 1.045 495 A CA -0.604 51.433 52.037 -0.001 0.000 0.672 495 A CB 1.181 20.196 19.000 0.025 0.000 1.283 495 A HN -0.130 nan 8.150 nan 0.000 0.419 496 V N 3.151 123.044 119.914 -0.035 0.000 2.217 496 V HA 0.302 4.422 4.120 -0.000 0.000 0.264 496 V C 0.520 176.613 176.094 -0.001 0.000 1.107 496 V CA -0.031 62.228 62.300 -0.068 0.000 0.913 496 V CB -0.520 31.201 31.823 -0.171 0.000 1.153 496 V HN 0.757 nan 8.190 nan 0.000 0.469 497 I N -0.000 120.569 120.570 -0.001 0.000 3.079 497 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 497 I C 0.316 176.420 176.117 -0.022 0.000 1.094 497 I CA -0.463 60.829 61.300 -0.014 0.000 1.295 497 I CB 0.552 38.454 38.000 -0.163 0.000 1.443 497 I HN 0.220 nan 8.210 nan 0.000 0.607 498 M N 3.176 122.738 119.600 -0.063 0.000 2.211 498 M HA 0.298 4.778 4.480 -0.000 0.000 0.356 498 M C -1.662 174.410 176.300 -0.379 0.000 1.216 498 M CA -2.259 52.944 55.300 -0.162 0.000 1.134 498 M CB 0.602 33.149 32.600 -0.087 0.000 1.564 498 M HN 0.416 nan 8.290 nan 0.000 0.463 499 P HA -0.172 nan 4.420 nan 0.000 0.215 499 P C 1.081 177.985 177.300 -0.661 0.000 1.163 499 P CA 1.851 64.161 63.100 -1.316 0.000 0.894 499 P CB 0.008 30.981 31.700 -1.213 0.000 0.791 500 S N -2.213 113.267 115.700 -0.366 0.000 2.595 500 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 500 S C 0.879 175.451 174.600 -0.047 0.000 0.974 500 S CA 0.953 59.056 58.200 -0.161 0.000 0.942 500 S CB -0.832 62.301 63.200 -0.111 0.000 0.766 500 S HN 0.090 nan 8.310 nan 0.000 0.536 501 D N 0.755 121.136 120.400 -0.031 0.000 2.440 501 D HA 0.211 4.851 4.640 -0.000 0.000 0.216 501 D C 1.198 177.643 176.300 0.241 0.000 1.150 501 D CA 0.148 54.217 54.000 0.115 0.000 0.832 501 D CB 0.150 41.042 40.800 0.154 0.000 0.992 501 D HN 0.283 nan 8.370 nan 0.000 0.502 502 T N 0.114 114.789 114.554 0.201 0.000 2.652 502 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 502 T C 1.923 176.820 174.700 0.328 0.000 1.039 502 T CA 1.074 63.378 62.100 0.339 0.000 1.153 502 T CB 0.244 69.419 68.868 0.511 0.000 0.863 502 T HN 0.167 nan 8.240 nan 0.000 0.428 503 R N 0.890 121.546 120.500 0.259 0.000 2.082 503 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 503 R C 2.641 179.050 176.300 0.182 0.000 1.140 503 R CA 1.484 57.714 56.100 0.216 0.000 0.920 503 R CB -0.277 30.121 30.300 0.163 0.000 0.828 503 R HN 0.177 nan 8.270 nan 0.000 0.430 504 R N -0.511 120.073 120.500 0.140 0.000 2.190 504 R HA -0.273 4.067 4.340 -0.000 0.000 0.255 504 R C 2.294 178.630 176.300 0.060 0.000 1.143 504 R CA 2.300 58.445 56.100 0.076 0.000 0.965 504 R CB -0.543 29.787 30.300 0.050 0.000 0.889 504 R HN 0.545 nan 8.270 nan 0.000 0.448 505 H N -0.148 118.977 119.070 0.091 0.000 2.270 505 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 505 H C 2.343 177.722 175.328 0.084 0.000 1.077 505 H CA 2.005 58.105 56.048 0.086 0.000 1.294 505 H CB -0.287 29.537 29.762 0.103 0.000 1.371 505 H HN 0.233 nan 8.280 nan 0.000 0.491 506 I N 0.363 121.083 120.570 0.250 0.000 2.248 506 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 506 I C 2.625 178.818 176.117 0.126 0.000 1.107 506 I CA 0.854 62.257 61.300 0.173 0.000 1.373 506 I CB -0.298 37.821 38.000 0.198 0.000 1.055 506 I HN 0.022 nan 8.210 nan 0.000 0.418 507 V N 1.659 121.642 119.914 0.116 0.000 2.244 507 V HA -0.249 3.871 4.120 -0.000 0.000 0.244 507 V C 2.740 178.866 176.094 0.054 0.000 1.042 507 V CA 2.191 64.541 62.300 0.082 0.000 1.006 507 V CB -0.784 31.083 31.823 0.073 0.000 0.641 507 V HN 0.532 nan 8.190 nan 0.000 0.446 508 R N 1.297 121.816 120.500 0.030 0.000 2.189 508 R HA -0.037 4.303 4.340 -0.000 0.000 0.223 508 R C 2.009 178.318 176.300 0.015 0.000 1.092 508 R CA 1.954 58.057 56.100 0.004 0.000 0.989 508 R CB -1.277 28.997 30.300 -0.044 0.000 0.876 508 R HN 0.453 nan 8.270 nan 0.000 0.457 509 G N 1.542 110.367 108.800 0.040 0.000 2.395 509 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 509 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 509 G C 1.735 176.662 174.900 0.045 0.000 1.177 509 G CA 0.497 45.628 45.100 0.052 0.000 0.794 509 G HN 0.247 nan 8.290 nan 0.000 0.532 510 L N 0.010 121.264 121.223 0.052 0.000 2.042 510 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 510 L C 3.092 179.984 176.870 0.037 0.000 1.076 510 L CA 1.063 55.932 54.840 0.048 0.000 0.749 510 L CB -0.376 41.719 42.059 0.060 0.000 0.893 510 L HN 0.135 nan 8.230 nan 0.000 0.432 511 R N -0.471 120.050 120.500 0.035 0.000 2.174 511 R HA -0.229 4.111 4.340 -0.000 0.000 0.253 511 R C 2.288 178.601 176.300 0.021 0.000 1.165 511 R CA 1.429 57.545 56.100 0.026 0.000 0.984 511 R CB -0.236 30.077 30.300 0.022 0.000 0.873 511 R HN 0.544 nan 8.270 nan 0.000 0.456 512 Q N -0.448 119.365 119.800 0.022 0.000 2.200 512 Q HA 0.025 4.365 4.340 -0.000 0.000 0.197 512 Q C 2.049 178.060 176.000 0.018 0.000 0.953 512 Q CA 0.522 56.336 55.803 0.018 0.000 0.851 512 Q CB 0.091 28.840 28.738 0.018 0.000 0.938 512 Q HN 0.244 nan 8.270 nan 0.000 0.488 513 L N 1.690 122.926 121.223 0.022 0.000 2.353 513 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 513 L C 2.332 179.213 176.870 0.018 0.000 1.133 513 L CA 1.401 56.253 54.840 0.019 0.000 0.798 513 L CB -1.111 40.961 42.059 0.023 0.000 0.922 513 L HN 0.350 nan 8.230 nan 0.000 0.445 514 R N 0.201 120.714 120.500 0.020 0.000 2.249 514 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 514 R C 1.033 177.340 176.300 0.012 0.000 1.121 514 R CA 1.479 57.590 56.100 0.018 0.000 0.997 514 R CB -0.956 29.355 30.300 0.018 0.000 0.867 514 R HN 0.432 nan 8.270 nan 0.000 0.465 515 T N -1.550 113.010 114.554 0.010 0.000 3.258 515 T HA 0.186 4.536 4.350 -0.000 0.000 0.259 515 T C -0.053 174.650 174.700 0.005 0.000 0.963 515 T CA -0.806 61.298 62.100 0.007 0.000 0.919 515 T CB 0.249 69.120 68.868 0.006 0.000 1.110 515 T HN 0.199 nan 8.240 nan 0.000 0.550 516 K N 1.991 122.395 120.400 0.006 0.000 2.276 516 K HA 0.317 4.637 4.320 -0.000 0.000 0.285 516 K C -0.576 176.024 176.600 0.000 0.000 1.062 516 K CA -0.587 55.702 56.287 0.004 0.000 0.918 516 K CB 0.551 33.054 32.500 0.005 0.000 1.055 516 K HN 0.333 nan 8.250 nan 0.000 0.477 517 R N 3.506 124.004 120.500 -0.003 0.000 2.437 517 R HA 0.270 4.610 4.340 -0.000 0.000 0.310 517 R C -1.014 175.281 176.300 -0.009 0.000 0.955 517 R CA -0.689 55.407 56.100 -0.006 0.000 0.851 517 R CB 1.764 32.061 30.300 -0.005 0.000 1.161 517 R HN 0.678 nan 8.270 nan 0.000 0.446 518 E N 1.950 122.143 120.200 -0.012 0.000 2.354 518 E HA 0.313 4.663 4.350 -0.000 0.000 0.283 518 E C -1.464 175.123 176.600 -0.021 0.000 0.938 518 E CA -0.372 56.018 56.400 -0.016 0.000 0.777 518 E CB 1.949 31.639 29.700 -0.017 0.000 1.222 518 E HN 0.520 nan 8.360 nan 0.000 0.423 519 S N 2.184 117.870 115.700 -0.023 0.000 2.677 519 S HA 0.645 5.115 4.470 -0.000 0.000 0.304 519 S C -1.026 173.554 174.600 -0.034 0.000 1.108 519 S CA -0.639 57.545 58.200 -0.027 0.000 0.944 519 S CB 1.116 64.302 63.200 -0.023 0.000 1.127 519 S HN 0.412 nan 8.310 nan 0.000 0.511 520 L N 1.371 122.572 121.223 -0.037 0.000 2.304 520 L HA 0.598 4.938 4.340 -0.000 0.000 0.268 520 L C -2.306 174.541 176.870 -0.039 0.000 1.010 520 L CA -1.973 52.840 54.840 -0.045 0.000 0.813 520 L CB -0.197 41.829 42.059 -0.054 0.000 1.315 520 L HN 0.395 nan 8.230 nan 0.000 0.445 521 P HA 0.139 nan 4.420 nan 0.000 0.265 521 P C -2.471 174.808 177.300 -0.035 0.000 1.193 521 P CA -0.685 62.393 63.100 -0.037 0.000 0.765 521 P CB -0.319 31.358 31.700 -0.039 0.000 0.823 522 P HA 0.045 nan 4.420 nan 0.000 0.265 522 P C -0.638 176.637 177.300 -0.042 0.000 1.193 522 P CA 0.379 63.459 63.100 -0.033 0.000 0.765 522 P CB 0.515 32.198 31.700 -0.029 0.000 0.823 523 K N 0.764 121.135 120.400 -0.048 0.000 2.610 523 K HA 0.274 4.594 4.320 -0.000 0.000 0.278 523 K C 0.291 176.838 176.600 -0.087 0.000 0.964 523 K CA -1.059 55.182 56.287 -0.077 0.000 0.859 523 K CB 1.138 33.587 32.500 -0.084 0.000 1.434 523 K HN -0.066 nan 8.250 nan 0.000 0.410 524 K N 0.272 120.583 120.400 -0.149 0.000 2.103 524 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 524 K C 0.014 176.599 176.600 -0.025 0.000 1.048 524 K CA 2.088 58.312 56.287 -0.105 0.000 0.930 524 K CB -0.408 32.008 32.500 -0.140 0.000 0.716 524 K HN 0.874 nan 8.250 nan 0.000 0.444 525 H N -4.852 114.214 119.070 -0.006 0.000 2.921 525 H HA 0.364 4.920 4.556 -0.000 0.000 0.287 525 H C 0.015 175.364 175.328 0.034 0.000 1.434 525 H CA -0.539 55.511 56.048 0.004 0.000 1.178 525 H CB 0.224 29.979 29.762 -0.011 0.000 1.836 525 H HN 0.005 nan 8.280 nan 0.000 0.495 526 G N -0.836 108.098 108.800 0.223 0.000 2.514 526 G HA2 0.203 4.163 3.960 -0.000 0.000 0.245 526 G HA3 0.203 4.163 3.960 -0.000 0.000 0.245 526 G C -0.277 174.780 174.900 0.262 0.000 1.488 526 G CA -0.241 45.007 45.100 0.246 0.000 1.063 526 G HN 0.911 nan 8.290 nan 0.000 0.557 527 N N -1.439 117.395 118.700 0.223 0.000 2.527 527 N HA 0.097 4.837 4.740 -0.000 0.000 0.279 527 N C -0.013 175.427 175.510 -0.117 0.000 1.571 527 N CA -0.424 52.678 53.050 0.086 0.000 0.858 527 N CB 0.460 39.008 38.487 0.102 0.000 1.422 527 N HN 0.413 nan 8.380 nan 0.000 0.491 528 I N 2.026 122.295 120.570 -0.501 0.000 2.989 528 I HA -0.018 4.152 4.170 -0.000 0.000 0.311 528 I C -2.059 173.805 176.117 -0.422 0.000 1.221 528 I CA -0.754 59.938 61.300 -1.012 0.000 1.449 528 I CB 0.716 37.993 38.000 -1.204 0.000 1.325 528 I HN 0.135 nan 8.210 nan 0.000 0.557 529 P HA 0.001 nan 4.420 nan 0.000 0.257 529 P C -0.630 176.588 177.300 -0.137 0.000 1.189 529 P CA -0.007 63.008 63.100 -0.142 0.000 0.780 529 P CB 0.176 31.826 31.700 -0.083 0.000 0.772 530 L N 0.000 121.157 121.223 -0.110 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.785 54.840 -0.092 0.000 0.813 530 L CB 0.000 42.005 42.059 -0.090 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502