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 2zt6_1_A DATA FIRST_RESID 64 DATA SEQUENCE IVDRAKMEDT LKRRFFYDQA FAIYGGVSGL YDFGPVGCAL KNNIIQTWRQ DATA SEQUENCE HFIQEEQILE IDCTMLTPEP VLKTSGHVDK FADFMVKDVK NGECFRADHL DATA SEQUENCE LKAHLQKLMS DKKCSVEKKS EMESVLAQLD NYGQQELADL FVNYNVKSPI DATA SEQUENCE TGNDLSPPVS FNLMFKTFIG PGGNMPGYLR PETAQGIFLN FKRLLEFNQG DATA SEQUENCE KLPFAAAQIG NSFRNEISPR SGLIRVREFT MAEIEHFVDP SEKDHPKFQN DATA SEQUENCE VADLHLYLYS AKAQVSGQSA RKMRLGDAVE QGVINNTVLG YFIGRIYLYL DATA SEQUENCE TKVGISPDKL RFRQHMENEM AHYACDCWDA ESKTSYGWIE IVGCADRSCY DATA SEQUENCE DLSCHARATK VPLVAEKPXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXYV DATA SEQUENCE EEVVPNVIEP SFGLGRIMYT VFEHTFHVRE GDEQRTFFSF PAVVAPFKCS DATA SEQUENCE VLPLSQNQEF MPFVKELSEA LTRHGVSHKV DDSSGSIGRR YARTDEIGVA DATA SEQUENCE FGVTIDFDTV NKTPHTATLR DRDSMRQIRA EISELPSIVQ DLANGNITWA DATA SEQUENCE DVEARYPLFE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 64 I HA 0.000 nan 4.170 nan 0.000 0.288 64 I C 0.000 176.090 176.117 -0.046 0.000 1.063 64 I CA 0.000 61.263 61.300 -0.061 0.000 1.566 64 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 65 V N 3.757 123.639 119.914 -0.053 0.000 2.808 65 V HA 0.582 4.703 4.120 0.002 0.000 0.308 65 V C -1.263 174.791 176.094 -0.067 0.000 1.099 65 V CA -0.316 61.961 62.300 -0.038 0.000 0.920 65 V CB 2.448 34.238 31.823 -0.054 0.000 1.014 65 V HN 0.790 nan 8.190 nan 0.000 0.425 66 D N 4.990 125.367 120.400 -0.039 0.000 2.455 66 D HA 0.148 4.789 4.640 0.002 0.000 0.234 66 D C 1.361 177.557 176.300 -0.173 0.000 1.224 66 D CA 0.366 54.324 54.000 -0.070 0.000 0.999 66 D CB 0.371 41.168 40.800 -0.005 0.000 1.072 66 D HN 0.587 nan 8.370 nan 0.000 0.514 67 R N 3.112 123.512 120.500 -0.166 0.000 2.112 67 R HA -0.296 4.045 4.340 0.002 0.000 0.242 67 R C 1.800 177.999 176.300 -0.169 0.000 1.137 67 R CA 1.809 57.806 56.100 -0.173 0.000 0.944 67 R CB -0.237 29.994 30.300 -0.115 0.000 0.857 67 R HN 0.486 nan 8.270 nan 0.000 0.435 68 A N 1.303 124.054 122.820 -0.115 0.000 1.859 68 A HA -0.294 4.027 4.320 0.002 0.000 0.218 68 A C 2.159 179.679 177.584 -0.108 0.000 1.209 68 A CA 2.083 54.069 52.037 -0.084 0.000 0.639 68 A CB -0.774 18.194 19.000 -0.055 0.000 0.835 68 A HN 0.480 nan 8.150 nan 0.000 0.450 69 K N -1.113 119.224 120.400 -0.106 0.000 2.044 69 K HA -0.218 4.103 4.320 0.002 0.000 0.210 69 K C 2.215 178.698 176.600 -0.196 0.000 1.049 69 K CA 1.969 58.215 56.287 -0.068 0.000 0.927 69 K CB -0.266 32.258 32.500 0.039 0.000 0.713 69 K HN 0.604 nan 8.250 nan 0.000 0.443 70 M N 1.018 120.270 119.600 -0.579 0.000 2.084 70 M HA -0.229 4.252 4.480 0.002 0.000 0.259 70 M C 1.668 177.728 176.300 -0.401 0.000 1.072 70 M CA 1.946 56.647 55.300 -0.999 0.000 1.107 70 M CB -0.200 31.601 32.600 -1.333 0.000 1.299 70 M HN 0.151 nan 8.290 nan 0.000 0.413 71 E N 0.323 120.362 120.200 -0.268 0.000 2.147 71 E HA -0.272 4.079 4.350 0.002 0.000 0.199 71 E C 1.502 178.011 176.600 -0.152 0.000 1.005 71 E CA 1.971 58.271 56.400 -0.167 0.000 0.810 71 E CB -0.435 29.228 29.700 -0.061 0.000 0.736 71 E HN 0.649 nan 8.360 nan 0.000 0.460 72 D N -0.224 120.114 120.400 -0.103 0.000 2.117 72 D HA -0.107 4.534 4.640 0.002 0.000 0.197 72 D C 1.918 178.213 176.300 -0.008 0.000 0.987 72 D CA 1.518 55.489 54.000 -0.049 0.000 0.829 72 D CB -0.168 40.619 40.800 -0.022 0.000 0.961 72 D HN 0.075 nan 8.370 nan 0.000 0.460 73 T N 0.267 114.838 114.554 0.028 0.000 2.812 73 T HA -0.023 4.329 4.350 0.002 0.000 0.264 73 T C 2.098 176.905 174.700 0.178 0.000 1.042 73 T CA 0.478 62.669 62.100 0.151 0.000 1.140 73 T CB -0.250 68.797 68.868 0.298 0.000 0.870 73 T HN 0.088 nan 8.240 nan 0.000 0.445 74 L N 0.598 121.850 121.223 0.049 0.000 1.989 74 L HA -0.145 4.196 4.340 0.002 0.000 0.211 74 L C 2.695 179.583 176.870 0.030 0.000 1.071 74 L CA 1.574 56.413 54.840 -0.001 0.000 0.749 74 L CB -0.489 41.307 42.059 -0.438 0.000 0.890 74 L HN 0.213 nan 8.230 nan 0.000 0.431 75 K N -0.358 119.950 120.400 -0.153 0.000 2.057 75 K HA -0.202 4.119 4.320 0.002 0.000 0.206 75 K C 2.244 178.841 176.600 -0.005 0.000 1.050 75 K CA 1.228 57.440 56.287 -0.125 0.000 0.935 75 K CB -0.204 32.188 32.500 -0.179 0.000 0.715 75 K HN 0.165 nan 8.250 nan 0.000 0.439 76 R N 0.983 121.494 120.500 0.018 0.000 2.073 76 R HA -0.079 4.262 4.340 0.002 0.000 0.234 76 R C 1.682 178.033 176.300 0.086 0.000 1.134 76 R CA 1.291 57.413 56.100 0.036 0.000 0.952 76 R CB 0.158 30.488 30.300 0.051 0.000 0.850 76 R HN -0.049 nan 8.270 nan 0.000 0.433 77 R N 0.071 120.660 120.500 0.148 0.000 2.319 77 R HA -0.009 4.333 4.340 0.002 0.000 0.204 77 R C -0.118 176.259 176.300 0.128 0.000 0.954 77 R CA -0.140 56.041 56.100 0.134 0.000 1.066 77 R CB -0.750 29.653 30.300 0.172 0.000 0.991 77 R HN 0.269 nan 8.270 nan 0.000 0.486 78 F N 0.134 120.061 119.950 -0.039 0.000 2.688 78 F HA -0.293 4.235 4.527 0.002 0.000 0.276 78 F C -0.215 175.537 175.800 -0.080 0.000 1.034 78 F CA -0.697 57.267 58.000 -0.060 0.000 0.991 78 F CB -1.738 37.233 39.000 -0.049 0.000 1.119 78 F HN 0.008 nan 8.300 nan 0.000 0.837 79 F N 1.472 121.465 119.950 0.070 0.000 2.262 79 F HA 0.153 4.681 4.527 0.002 0.000 0.292 79 F C 1.081 176.903 175.800 0.037 0.000 1.081 79 F CA 1.823 59.842 58.000 0.032 0.000 1.355 79 F CB -0.042 38.946 39.000 -0.019 0.000 1.069 79 F HN 0.344 nan 8.300 nan 0.000 0.506 80 Y N -2.585 117.787 120.300 0.120 0.000 2.656 80 Y HA 0.618 5.169 4.550 0.002 0.000 0.334 80 Y C -1.771 174.223 175.900 0.156 0.000 1.179 80 Y CA -1.698 56.329 58.100 -0.122 0.000 1.050 80 Y CB 1.266 39.360 38.460 -0.611 0.000 1.308 80 Y HN -0.192 nan 8.280 nan 0.000 0.456 81 D N -0.087 120.542 120.400 0.382 0.000 2.725 81 D HA 0.170 4.811 4.640 0.002 0.000 0.292 81 D C -1.724 174.799 176.300 0.373 0.000 1.288 81 D CA -0.637 53.530 54.000 0.278 0.000 0.784 81 D CB 2.081 42.937 40.800 0.092 0.000 1.308 81 D HN 0.777 nan 8.370 nan 0.000 0.429 82 Q N 0.603 120.519 119.800 0.194 0.000 2.255 82 Q HA 0.459 4.800 4.340 0.002 0.000 0.280 82 Q C -0.237 175.738 176.000 -0.041 0.000 1.068 82 Q CA 0.037 55.824 55.803 -0.025 0.000 0.911 82 Q CB 0.757 29.482 28.738 -0.021 0.000 1.157 82 Q HN 0.387 nan 8.270 nan 0.000 0.380 83 A N 3.033 125.782 122.820 -0.119 0.000 2.462 83 A HA 0.272 4.593 4.320 0.002 0.000 0.243 83 A C -0.274 177.250 177.584 -0.100 0.000 1.076 83 A CA -0.316 51.576 52.037 -0.242 0.000 0.773 83 A CB -0.285 18.530 19.000 -0.308 0.000 1.010 83 A HN 0.820 nan 8.150 nan 0.000 0.493 84 F N -0.502 119.462 119.950 0.023 0.000 3.027 84 F HA -0.300 4.228 4.527 0.002 0.000 0.276 84 F C 1.565 177.423 175.800 0.095 0.000 0.967 84 F CA 0.446 58.468 58.000 0.037 0.000 0.929 84 F CB -1.956 37.016 39.000 -0.047 0.000 0.873 84 F HN 0.757 nan 8.300 nan 0.000 0.787 85 A N 1.327 124.238 122.820 0.151 0.000 1.877 85 A HA -0.122 4.199 4.320 0.002 0.000 0.216 85 A C 2.016 179.683 177.584 0.138 0.000 1.186 85 A CA 1.623 53.725 52.037 0.108 0.000 0.620 85 A CB -0.562 18.453 19.000 0.026 0.000 0.822 85 A HN 0.843 nan 8.150 nan 0.000 0.443 86 I N -4.839 115.830 120.570 0.164 0.000 3.369 86 I HA -0.027 4.144 4.170 0.002 0.000 0.288 86 I C 0.962 177.105 176.117 0.044 0.000 1.321 86 I CA 1.122 62.478 61.300 0.093 0.000 1.358 86 I CB -0.362 37.675 38.000 0.061 0.000 1.038 86 I HN 0.262 nan 8.210 nan 0.000 0.516 87 Y N 1.158 121.501 120.300 0.071 0.000 2.527 87 Y HA 0.441 4.992 4.550 0.002 0.000 0.247 87 Y C 1.749 177.675 175.900 0.043 0.000 1.138 87 Y CA 0.123 58.258 58.100 0.059 0.000 1.228 87 Y CB 1.217 39.722 38.460 0.077 0.000 1.252 87 Y HN 0.319 nan 8.280 nan 0.000 0.531 88 G N -0.524 108.376 108.800 0.167 0.000 2.238 88 G HA2 0.013 3.974 3.960 0.002 0.000 0.217 88 G HA3 0.013 3.974 3.960 0.002 0.000 0.217 88 G C 0.700 175.664 174.900 0.106 0.000 0.996 88 G CA -0.045 45.118 45.100 0.104 0.000 0.632 88 G HN 1.076 nan 8.290 nan 0.000 0.503 89 G N -1.849 107.049 108.800 0.163 0.000 2.785 89 G HA2 0.253 4.214 3.960 0.002 0.000 0.685 89 G HA3 0.253 4.214 3.960 0.002 0.000 0.685 89 G C -0.384 174.573 174.900 0.094 0.000 1.480 89 G CA 0.072 45.261 45.100 0.148 0.000 0.915 89 G HN 1.565 nan 8.290 nan 0.000 0.576 90 V N 1.471 121.443 119.914 0.097 0.000 2.409 90 V HA 0.623 4.744 4.120 0.002 0.000 0.291 90 V C 0.947 177.042 176.094 0.002 0.000 1.020 90 V CA -0.067 62.263 62.300 0.050 0.000 0.848 90 V CB 1.526 33.383 31.823 0.057 0.000 0.990 90 V HN 1.721 nan 8.190 nan 0.000 0.430 91 S N 3.182 118.889 115.700 0.012 0.000 2.546 91 S HA 0.435 4.906 4.470 0.002 0.000 0.290 91 S C 1.223 175.857 174.600 0.057 0.000 1.290 91 S CA 0.434 58.643 58.200 0.015 0.000 1.069 91 S CB 0.649 63.885 63.200 0.060 0.000 0.846 91 S HN 2.208 nan 8.310 nan 0.000 0.495 92 G N 2.115 110.958 108.800 0.071 0.000 2.176 92 G HA2 -0.177 3.784 3.960 0.002 0.000 0.232 92 G HA3 -0.177 3.784 3.960 0.002 0.000 0.232 92 G C -0.229 174.788 174.900 0.195 0.000 0.986 92 G CA -0.025 45.193 45.100 0.197 0.000 0.643 92 G HN 0.804 nan 8.290 nan 0.000 0.522 93 L N 0.172 121.373 121.223 -0.037 0.000 2.356 93 L HA 0.765 5.106 4.340 0.002 0.000 0.277 93 L C -0.594 176.108 176.870 -0.280 0.000 0.996 93 L CA -1.208 53.648 54.840 0.027 0.000 0.822 93 L CB 1.518 43.674 42.059 0.161 0.000 1.256 93 L HN 0.092 nan 8.230 nan 0.000 0.413 94 Y N 0.357 120.721 120.300 0.107 0.000 2.581 94 Y HA 0.474 5.025 4.550 0.002 0.000 0.345 94 Y C -0.532 175.403 175.900 0.059 0.000 1.036 94 Y CA -1.129 57.004 58.100 0.056 0.000 1.042 94 Y CB 1.984 40.422 38.460 -0.038 0.000 1.289 94 Y HN 0.423 nan 8.280 nan 0.000 0.471 95 D N 1.228 121.750 120.400 0.203 0.000 2.248 95 D HA 0.358 4.999 4.640 0.002 0.000 0.246 95 D C -1.316 175.072 176.300 0.147 0.000 1.027 95 D CA -0.308 53.821 54.000 0.215 0.000 0.853 95 D CB 1.619 42.529 40.800 0.183 0.000 1.243 95 D HN 0.200 nan 8.370 nan 0.000 0.462 96 F N 0.915 120.913 119.950 0.081 0.000 2.385 96 F HA 0.406 4.934 4.527 0.002 0.000 0.360 96 F C 1.348 176.899 175.800 -0.414 0.000 1.122 96 F CA -0.645 57.327 58.000 -0.046 0.000 1.090 96 F CB 1.321 40.327 39.000 0.009 0.000 1.150 96 F HN 0.214 nan 8.300 nan 0.000 0.472 97 G N 3.663 111.876 108.800 -0.978 0.000 2.611 97 G HA2 0.232 4.194 3.960 0.002 0.000 0.273 97 G HA3 0.232 4.194 3.960 0.002 0.000 0.273 97 G C -1.781 172.768 174.900 -0.584 0.000 1.305 97 G CA -1.099 43.022 45.100 -1.632 0.000 1.010 97 G HN 0.390 nan 8.290 nan 0.000 0.509 98 P HA -0.200 nan 4.420 nan 0.000 0.214 98 P C 2.295 179.505 177.300 -0.150 0.000 1.172 98 P CA 2.668 65.665 63.100 -0.172 0.000 0.925 98 P CB -0.232 31.412 31.700 -0.093 0.000 0.793 99 V N -2.624 117.155 119.914 -0.226 0.000 2.332 99 V HA -0.160 3.961 4.120 0.002 0.000 0.248 99 V C 2.321 178.318 176.094 -0.162 0.000 1.055 99 V CA 2.417 64.557 62.300 -0.266 0.000 1.038 99 V CB -2.329 29.110 31.823 -0.640 0.000 0.651 99 V HN 0.167 nan 8.190 nan 0.000 0.450 100 G N -1.037 107.694 108.800 -0.115 0.000 2.442 100 G HA2 -0.248 3.713 3.960 0.002 0.000 0.219 100 G HA3 -0.248 3.713 3.960 0.002 0.000 0.219 100 G C 1.556 176.584 174.900 0.214 0.000 1.141 100 G CA 1.422 46.704 45.100 0.302 0.000 0.763 100 G HN 0.608 nan 8.290 nan 0.000 0.554 101 C N 0.595 119.930 119.300 0.058 0.000 2.466 101 C HA 0.303 4.764 4.460 0.002 0.000 0.278 101 C C 3.520 178.501 174.990 -0.015 0.000 1.288 101 C CA 0.606 59.620 59.018 -0.006 0.000 1.722 101 C CB -0.847 26.874 27.740 -0.032 0.000 2.017 101 C HN 0.570 nan 8.230 nan 0.000 0.488 102 A N 0.295 123.114 122.820 -0.002 0.000 1.940 102 A HA -0.177 4.144 4.320 0.002 0.000 0.219 102 A C 2.037 179.620 177.584 -0.001 0.000 1.176 102 A CA 1.865 53.910 52.037 0.015 0.000 0.631 102 A CB -0.578 18.455 19.000 0.054 0.000 0.814 102 A HN 0.526 nan 8.150 nan 0.000 0.446 103 L N -0.451 120.771 121.223 -0.002 0.000 2.068 103 L HA 0.021 4.362 4.340 0.002 0.000 0.204 103 L C 2.230 179.035 176.870 -0.108 0.000 1.076 103 L CA 2.469 57.259 54.840 -0.083 0.000 0.753 103 L CB -0.560 41.456 42.059 -0.070 0.000 0.910 103 L HN 0.391 nan 8.230 nan 0.000 0.439 104 K N -0.617 119.740 120.400 -0.072 0.000 2.103 104 K HA -0.181 4.140 4.320 0.002 0.000 0.207 104 K C 1.810 178.342 176.600 -0.112 0.000 1.048 104 K CA 1.546 57.752 56.287 -0.135 0.000 0.930 104 K CB -0.036 32.327 32.500 -0.228 0.000 0.716 104 K HN 0.434 nan 8.250 nan 0.000 0.444 105 N N 0.884 119.538 118.700 -0.076 0.000 2.135 105 N HA -0.119 4.622 4.740 0.002 0.000 0.186 105 N C 1.343 176.842 175.510 -0.017 0.000 1.027 105 N CA 1.271 54.293 53.050 -0.046 0.000 0.849 105 N CB -0.547 37.923 38.487 -0.029 0.000 1.002 105 N HN 0.341 nan 8.380 nan 0.000 0.425 106 N N 0.836 119.523 118.700 -0.020 0.000 2.149 106 N HA -0.043 4.698 4.740 0.002 0.000 0.188 106 N C 1.746 177.267 175.510 0.019 0.000 1.019 106 N CA 0.619 53.668 53.050 -0.001 0.000 0.857 106 N CB -0.016 38.455 38.487 -0.028 0.000 0.997 106 N HN 0.209 nan 8.380 nan 0.000 0.426 107 I N 0.891 121.454 120.570 -0.012 0.000 2.286 107 I HA -0.201 3.970 4.170 0.002 0.000 0.245 107 I C 1.895 178.113 176.117 0.167 0.000 1.104 107 I CA 0.964 62.296 61.300 0.053 0.000 1.397 107 I CB -0.185 37.796 38.000 -0.032 0.000 1.072 107 I HN 0.138 nan 8.210 nan 0.000 0.417 108 I N 0.261 120.874 120.570 0.071 0.000 2.394 108 I HA -0.266 3.905 4.170 0.002 0.000 0.251 108 I C 2.598 178.811 176.117 0.159 0.000 1.136 108 I CA 1.013 62.357 61.300 0.074 0.000 1.425 108 I CB -0.331 37.656 38.000 -0.023 0.000 1.079 108 I HN 0.256 nan 8.210 nan 0.000 0.425 109 Q N 0.994 120.866 119.800 0.120 0.000 2.079 109 Q HA -0.143 4.198 4.340 0.002 0.000 0.200 109 Q C 2.140 178.238 176.000 0.163 0.000 0.974 109 Q CA 2.153 58.028 55.803 0.119 0.000 0.840 109 Q CB -0.401 28.385 28.738 0.079 0.000 0.898 109 Q HN 0.365 nan 8.270 nan 0.000 0.430 110 T N -0.606 114.073 114.554 0.208 0.000 2.821 110 T HA -0.148 4.203 4.350 0.002 0.000 0.267 110 T C 1.023 175.928 174.700 0.342 0.000 1.046 110 T CA 1.200 63.459 62.100 0.266 0.000 1.139 110 T CB -0.517 68.527 68.868 0.293 0.000 0.871 110 T HN 0.528 nan 8.240 nan 0.000 0.454 111 W N 2.125 123.516 121.300 0.151 0.000 2.381 111 W HA -0.023 4.638 4.660 0.002 0.000 0.301 111 W C 2.393 178.918 176.519 0.010 0.000 1.205 111 W CA 0.748 58.010 57.345 -0.139 0.000 1.285 111 W CB -0.096 29.130 29.460 -0.390 0.000 1.133 111 W HN 0.047 nan 8.180 nan 0.000 0.521 112 R N -0.354 120.305 120.500 0.264 0.000 2.105 112 R HA -0.202 4.139 4.340 0.002 0.000 0.239 112 R C 2.345 178.638 176.300 -0.011 0.000 1.135 112 R CA 1.560 57.742 56.100 0.136 0.000 0.967 112 R CB -0.498 29.899 30.300 0.163 0.000 0.861 112 R HN 0.228 nan 8.270 nan 0.000 0.442 113 Q N -0.438 119.374 119.800 0.019 0.000 2.020 113 Q HA -0.170 4.171 4.340 0.002 0.000 0.198 113 Q C 1.968 177.899 176.000 -0.114 0.000 0.974 113 Q CA 1.593 57.385 55.803 -0.018 0.000 0.829 113 Q CB -0.423 28.335 28.738 0.034 0.000 0.894 113 Q HN 0.487 nan 8.270 nan 0.000 0.433 114 H N -0.993 117.927 119.070 -0.251 0.000 2.457 114 H HA -0.116 4.441 4.556 0.002 0.000 0.297 114 H C 0.874 175.660 175.328 -0.904 0.000 1.092 114 H CA 1.716 57.454 56.048 -0.517 0.000 1.309 114 H CB 0.181 29.631 29.762 -0.521 0.000 1.382 114 H HN 0.103 nan 8.280 nan 0.000 0.535 115 F N -1.838 117.798 119.950 -0.524 0.000 2.282 115 F HA 0.172 4.700 4.527 0.002 0.000 0.255 115 F C 2.112 177.696 175.800 -0.359 0.000 0.959 115 F CA -0.081 57.580 58.000 -0.566 0.000 1.170 115 F CB -0.444 37.883 39.000 -1.123 0.000 1.376 115 F HN -0.094 nan 8.300 nan 0.000 0.709 116 I N 0.537 120.997 120.570 -0.185 0.000 2.145 116 I HA -0.334 3.837 4.170 0.002 0.000 0.244 116 I C 2.432 178.539 176.117 -0.017 0.000 1.075 116 I CA 1.848 63.120 61.300 -0.045 0.000 1.332 116 I CB -0.408 37.595 38.000 0.005 0.000 1.033 116 I HN 0.287 nan 8.210 nan 0.000 0.410 117 Q N 1.053 120.824 119.800 -0.047 0.000 2.049 117 Q HA -0.231 4.110 4.340 0.002 0.000 0.198 117 Q C 1.980 177.951 176.000 -0.048 0.000 0.971 117 Q CA 1.660 57.444 55.803 -0.032 0.000 0.833 117 Q CB -0.129 28.591 28.738 -0.031 0.000 0.896 117 Q HN 0.330 nan 8.270 nan 0.000 0.434 118 E N -0.265 119.870 120.200 -0.109 0.000 2.347 118 E HA -0.123 4.228 4.350 0.002 0.000 0.196 118 E C 0.550 177.117 176.600 -0.055 0.000 1.008 118 E CA 0.997 57.320 56.400 -0.128 0.000 0.852 118 E CB 0.215 29.746 29.700 -0.281 0.000 0.783 118 E HN 0.343 nan 8.360 nan 0.000 0.505 119 E N -0.201 119.998 120.200 -0.003 0.000 2.601 119 E HA 0.071 4.422 4.350 0.002 0.000 0.219 119 E C -0.299 176.367 176.600 0.109 0.000 0.964 119 E CA -0.041 56.413 56.400 0.092 0.000 1.050 119 E CB 0.672 30.484 29.700 0.187 0.000 1.068 119 E HN 0.098 nan 8.360 nan 0.000 0.496 120 Q N 0.249 120.091 119.800 0.071 0.000 2.460 120 Q HA -0.189 4.152 4.340 0.002 0.000 0.311 120 Q C -0.025 176.043 176.000 0.113 0.000 1.396 120 Q CA 0.686 56.537 55.803 0.080 0.000 0.838 120 Q CB -2.568 26.217 28.738 0.079 0.000 1.140 120 Q HN 0.448 nan 8.270 nan 0.000 0.415 121 I N 0.787 121.425 120.570 0.113 0.000 2.529 121 I HA 0.096 4.268 4.170 0.002 0.000 0.284 121 I C 1.166 177.344 176.117 0.103 0.000 1.082 121 I CA -0.510 60.872 61.300 0.137 0.000 1.406 121 I CB 0.549 38.633 38.000 0.141 0.000 1.405 121 I HN 0.117 nan 8.210 nan 0.000 0.548 122 L N 6.312 127.599 121.223 0.106 0.000 2.361 122 L HA 0.217 4.559 4.340 0.002 0.000 0.278 122 L C 0.470 177.346 176.870 0.010 0.000 1.113 122 L CA 0.089 54.940 54.840 0.018 0.000 0.849 122 L CB 0.183 42.217 42.059 -0.042 0.000 1.155 122 L HN 0.642 nan 8.230 nan 0.000 0.452 123 E N 5.852 126.045 120.200 -0.013 0.000 2.156 123 E HA 0.546 4.897 4.350 0.002 0.000 0.279 123 E C -0.952 175.624 176.600 -0.041 0.000 0.965 123 E CA -0.644 55.757 56.400 0.001 0.000 0.789 123 E CB 1.349 31.067 29.700 0.030 0.000 1.098 123 E HN 0.590 nan 8.360 nan 0.000 0.397 124 I N 0.376 120.925 120.570 -0.035 0.000 3.002 124 I HA 0.630 4.801 4.170 0.002 0.000 0.310 124 I C -1.148 174.947 176.117 -0.036 0.000 1.087 124 I CA -1.053 60.218 61.300 -0.049 0.000 1.017 124 I CB 2.345 40.310 38.000 -0.059 0.000 1.226 124 I HN 0.332 nan 8.210 nan 0.000 0.443 125 D N 3.470 123.849 120.400 -0.035 0.000 2.389 125 D HA 0.459 5.100 4.640 0.002 0.000 0.256 125 D C -0.748 175.532 176.300 -0.032 0.000 1.239 125 D CA -0.066 53.914 54.000 -0.034 0.000 0.925 125 D CB 1.135 41.918 40.800 -0.027 0.000 1.145 125 D HN 0.763 nan 8.370 nan 0.000 0.542 126 C N 1.207 120.484 119.300 -0.039 0.000 2.480 126 C HA 0.687 5.148 4.460 0.002 0.000 0.344 126 C C 1.079 176.053 174.990 -0.027 0.000 1.380 126 C CA -0.652 58.346 59.018 -0.033 0.000 2.386 126 C CB 0.680 28.395 27.740 -0.041 0.000 2.210 126 C HN 0.697 nan 8.230 nan 0.000 0.640 127 T N -0.887 113.654 114.554 -0.021 0.000 2.849 127 T HA 0.368 4.719 4.350 0.002 0.000 0.284 127 T C 0.541 175.237 174.700 -0.007 0.000 1.004 127 T CA -0.413 61.679 62.100 -0.013 0.000 1.021 127 T CB 0.541 69.400 68.868 -0.013 0.000 1.013 127 T HN 0.580 nan 8.240 nan 0.000 0.527 128 M N 0.002 119.606 119.600 0.008 0.000 2.545 128 M HA 0.273 4.754 4.480 0.002 0.000 0.264 128 M C 0.353 176.645 176.300 -0.013 0.000 1.155 128 M CA 0.397 55.721 55.300 0.039 0.000 1.162 128 M CB -0.007 32.672 32.600 0.132 0.000 1.330 128 M HN 0.418 nan 8.290 nan 0.000 0.479 129 L N 1.406 122.604 121.223 -0.041 0.000 2.410 129 L HA 0.145 4.486 4.340 0.002 0.000 0.273 129 L C -0.408 176.448 176.870 -0.023 0.000 1.152 129 L CA 0.159 54.965 54.840 -0.057 0.000 0.855 129 L CB 0.465 42.487 42.059 -0.060 0.000 1.129 129 L HN 0.074 nan 8.230 nan 0.000 0.463 130 T N 3.838 118.388 114.554 -0.006 0.000 2.921 130 T HA 0.372 4.724 4.350 0.002 0.000 0.297 130 T C -2.605 172.112 174.700 0.029 0.000 1.013 130 T CA -1.139 60.975 62.100 0.024 0.000 0.990 130 T CB 2.088 70.985 68.868 0.048 0.000 1.023 130 T HN 0.357 nan 8.240 nan 0.000 0.447 131 P HA 0.176 nan 4.420 nan 0.000 0.276 131 P C 0.791 178.122 177.300 0.052 0.000 1.230 131 P CA -0.115 62.993 63.100 0.013 0.000 0.776 131 P CB 1.279 32.993 31.700 0.022 0.000 0.888 132 E N 3.996 124.192 120.200 -0.007 0.000 2.136 132 E HA -0.234 4.117 4.350 0.002 0.000 0.208 132 E C -0.860 175.835 176.600 0.158 0.000 1.035 132 E CA 2.304 58.754 56.400 0.083 0.000 0.838 132 E CB -1.345 28.340 29.700 -0.024 0.000 0.748 132 E HN 0.412 nan 8.360 nan 0.000 0.459 133 P HA -0.180 nan 4.420 nan 0.000 0.216 133 P C 1.371 178.748 177.300 0.129 0.000 1.150 133 P CA 1.270 64.431 63.100 0.101 0.000 0.843 133 P CB 0.057 31.802 31.700 0.075 0.000 0.787 134 V N -0.905 119.095 119.914 0.144 0.000 2.307 134 V HA -0.194 3.927 4.120 0.002 0.000 0.245 134 V C 2.310 178.533 176.094 0.215 0.000 1.045 134 V CA 1.620 64.037 62.300 0.196 0.000 1.024 134 V CB -1.093 30.818 31.823 0.147 0.000 0.651 134 V HN 0.094 nan 8.190 nan 0.000 0.449 135 L N -0.261 121.063 121.223 0.167 0.000 2.395 135 L HA -0.046 4.295 4.340 0.002 0.000 0.218 135 L C 2.417 179.365 176.870 0.130 0.000 1.130 135 L CA 0.736 55.644 54.840 0.113 0.000 0.826 135 L CB -0.335 41.749 42.059 0.042 0.000 0.941 135 L HN 0.271 nan 8.230 nan 0.000 0.451 136 K N 0.100 120.580 120.400 0.134 0.000 2.103 136 K HA -0.089 4.232 4.320 0.002 0.000 0.204 136 K C 1.911 178.545 176.600 0.057 0.000 1.052 136 K CA 1.662 58.005 56.287 0.094 0.000 0.945 136 K CB -0.327 32.232 32.500 0.098 0.000 0.722 136 K HN 0.046 nan 8.250 nan 0.000 0.443 137 T N 0.196 114.777 114.554 0.045 0.000 2.737 137 T HA -0.130 4.221 4.350 0.002 0.000 0.265 137 T C 1.818 176.476 174.700 -0.070 0.000 1.038 137 T CA 1.710 63.780 62.100 -0.049 0.000 1.144 137 T CB -0.498 68.302 68.868 -0.113 0.000 0.866 137 T HN 0.506 nan 8.240 nan 0.000 0.434 138 S N 0.762 116.472 115.700 0.017 0.000 2.442 138 S HA 0.156 4.627 4.470 0.002 0.000 0.236 138 S C 1.843 176.647 174.600 0.340 0.000 1.007 138 S CA 0.901 59.240 58.200 0.232 0.000 0.965 138 S CB -0.626 62.834 63.200 0.434 0.000 0.773 138 S HN 0.858 nan 8.310 nan 0.000 0.504 139 G N 0.327 109.216 108.800 0.147 0.000 2.140 139 G HA2 -0.210 3.751 3.960 0.002 0.000 0.211 139 G HA3 -0.210 3.751 3.960 0.002 0.000 0.211 139 G C 0.176 174.832 174.900 -0.406 0.000 1.013 139 G CA 0.371 45.417 45.100 -0.091 0.000 0.705 139 G HN 0.626 nan 8.290 nan 0.000 0.508 140 H N -0.748 118.200 119.070 -0.203 0.000 2.465 140 H HA 0.258 4.815 4.556 0.002 0.000 0.289 140 H C 2.604 177.829 175.328 -0.171 0.000 1.022 140 H CA 1.230 57.172 56.048 -0.176 0.000 1.340 140 H CB 0.206 29.868 29.762 -0.167 0.000 1.437 140 H HN 0.307 nan 8.280 nan 0.000 0.539 141 V N 0.849 120.727 119.914 -0.060 0.000 2.867 141 V HA -0.178 3.943 4.120 0.002 0.000 0.260 141 V C 1.081 177.128 176.094 -0.078 0.000 1.099 141 V CA 1.833 64.073 62.300 -0.100 0.000 1.122 141 V CB -0.150 31.678 31.823 0.009 0.000 0.708 141 V HN 0.469 nan 8.190 nan 0.000 0.490 142 D N -0.389 119.951 120.400 -0.100 0.000 2.615 142 D HA 0.049 4.690 4.640 0.002 0.000 0.259 142 D C 1.970 178.187 176.300 -0.138 0.000 0.999 142 D CA 0.553 54.493 54.000 -0.100 0.000 0.938 142 D CB 0.063 40.813 40.800 -0.083 0.000 1.121 142 D HN 0.332 nan 8.370 nan 0.000 0.487 143 K N -0.306 119.959 120.400 -0.224 0.000 2.360 143 K HA 0.181 4.502 4.320 0.002 0.000 0.196 143 K C 0.198 176.715 176.600 -0.139 0.000 1.049 143 K CA -0.285 55.877 56.287 -0.208 0.000 1.049 143 K CB 0.104 32.464 32.500 -0.233 0.000 0.881 143 K HN -0.058 nan 8.250 nan 0.000 0.542 144 F N 2.210 122.002 119.950 -0.263 0.000 2.678 144 F HA 0.371 4.899 4.527 0.002 0.000 0.358 144 F C -0.099 175.582 175.800 -0.197 0.000 1.256 144 F CA -0.809 57.100 58.000 -0.151 0.000 1.278 144 F CB -0.579 38.393 39.000 -0.048 0.000 1.681 144 F HN -0.001 nan 8.300 nan 0.000 0.661 145 A N 2.643 125.192 122.820 -0.451 0.000 2.588 145 A HA 0.695 5.016 4.320 0.002 0.000 0.290 145 A C -1.529 175.758 177.584 -0.495 0.000 1.136 145 A CA -0.834 50.926 52.037 -0.461 0.000 0.681 145 A CB 1.254 20.046 19.000 -0.347 0.000 1.282 145 A HN 0.266 nan 8.150 nan 0.000 0.421 146 D N -0.483 119.684 120.400 -0.389 0.000 2.527 146 D HA 0.592 5.233 4.640 0.002 0.000 0.233 146 D C -1.229 174.903 176.300 -0.281 0.000 1.063 146 D CA 0.025 53.810 54.000 -0.359 0.000 0.880 146 D CB 1.205 41.882 40.800 -0.205 0.000 1.457 146 D HN 0.328 nan 8.370 nan 0.000 0.475 147 F N 1.304 121.227 119.950 -0.045 0.000 2.438 147 F HA 0.286 4.814 4.527 0.002 0.000 0.356 147 F C 0.844 176.618 175.800 -0.044 0.000 1.099 147 F CA -0.352 57.625 58.000 -0.038 0.000 1.185 147 F CB 0.820 39.793 39.000 -0.045 0.000 1.115 147 F HN -0.043 nan 8.300 nan 0.000 0.526 148 M N 6.095 125.779 119.600 0.140 0.000 2.465 148 M HA 0.726 5.207 4.480 0.002 0.000 0.316 148 M C -1.554 174.718 176.300 -0.047 0.000 1.121 148 M CA -0.789 54.521 55.300 0.017 0.000 0.934 148 M CB 1.749 34.301 32.600 -0.080 0.000 1.692 148 M HN 0.404 nan 8.290 nan 0.000 0.444 149 V N 1.716 121.603 119.914 -0.046 0.000 2.914 149 V HA 0.844 4.965 4.120 0.002 0.000 0.314 149 V C -1.542 174.571 176.094 0.032 0.000 1.084 149 V CA -0.747 61.511 62.300 -0.069 0.000 0.963 149 V CB 1.986 33.696 31.823 -0.189 0.000 1.025 149 V HN 0.990 nan 8.190 nan 0.000 0.432 150 K N 1.013 121.424 120.400 0.018 0.000 2.525 150 K HA 0.444 4.765 4.320 0.002 0.000 0.254 150 K C -1.478 175.160 176.600 0.063 0.000 0.934 150 K CA -0.625 55.676 56.287 0.023 0.000 0.802 150 K CB 2.259 34.701 32.500 -0.097 0.000 1.295 150 K HN 0.863 nan 8.250 nan 0.000 0.433 151 D N 2.604 123.080 120.400 0.127 0.000 2.450 151 D HA -0.036 4.605 4.640 0.002 0.000 0.247 151 D C 1.066 177.391 176.300 0.043 0.000 1.162 151 D CA -0.383 53.677 54.000 0.101 0.000 0.879 151 D CB 1.278 42.162 40.800 0.140 0.000 1.163 151 D HN 0.294 nan 8.370 nan 0.000 0.472 152 V N 2.295 122.227 119.914 0.030 0.000 2.794 152 V HA -0.275 3.846 4.120 0.002 0.000 0.260 152 V C 2.209 178.310 176.094 0.012 0.000 1.103 152 V CA 1.390 63.698 62.300 0.013 0.000 1.125 152 V CB -0.721 31.109 31.823 0.011 0.000 0.702 152 V HN 0.502 nan 8.190 nan 0.000 0.494 153 K N 1.460 121.873 120.400 0.021 0.000 1.984 153 K HA -0.029 4.293 4.320 0.002 0.000 0.219 153 K C 1.092 177.698 176.600 0.009 0.000 1.033 153 K CA 1.478 57.776 56.287 0.018 0.000 0.983 153 K CB -0.641 31.876 32.500 0.028 0.000 0.762 153 K HN 0.811 nan 8.250 nan 0.000 0.445 154 N N -1.184 117.523 118.700 0.011 0.000 2.531 154 N HA 0.236 4.978 4.740 0.002 0.000 0.301 154 N C 0.333 175.828 175.510 -0.024 0.000 1.310 154 N CA -0.522 52.526 53.050 -0.004 0.000 0.949 154 N CB 0.425 38.912 38.487 -0.001 0.000 1.111 154 N HN 0.091 nan 8.380 nan 0.000 0.565 155 G N -0.307 108.465 108.800 -0.046 0.000 4.829 155 G HA2 0.119 4.080 3.960 0.002 0.000 0.320 155 G HA3 0.119 4.080 3.960 0.002 0.000 0.320 155 G C -0.634 174.184 174.900 -0.137 0.000 1.445 155 G CA -0.263 44.789 45.100 -0.080 0.000 1.151 155 G HN 0.409 nan 8.290 nan 0.000 0.572 156 E N 0.332 120.428 120.200 -0.174 0.000 2.197 156 E HA 0.341 4.692 4.350 0.002 0.000 0.281 156 E C -0.354 175.895 176.600 -0.584 0.000 0.995 156 E CA -0.216 55.973 56.400 -0.350 0.000 0.808 156 E CB 1.783 31.308 29.700 -0.292 0.000 1.093 156 E HN 0.262 nan 8.360 nan 0.000 0.394 157 C N 3.354 122.237 119.300 -0.695 0.000 2.397 157 C HA 0.689 5.150 4.460 0.002 0.000 0.343 157 C C -0.415 174.038 174.990 -0.894 0.000 1.188 157 C CA -0.642 57.994 59.018 -0.637 0.000 1.992 157 C CB -0.190 27.286 27.740 -0.439 0.000 2.358 157 C HN 0.561 nan 8.230 nan 0.000 0.518 158 F N 0.101 120.017 119.950 -0.057 0.000 2.619 158 F HA 0.493 5.021 4.527 0.002 0.000 0.308 158 F C 0.053 175.850 175.800 -0.005 0.000 1.097 158 F CA -0.860 57.139 58.000 -0.001 0.000 0.953 158 F CB 1.127 40.156 39.000 0.049 0.000 1.287 158 F HN 0.470 nan 8.300 nan 0.000 0.446 159 R N 1.794 122.424 120.500 0.217 0.000 2.272 159 R HA 0.540 4.881 4.340 0.002 0.000 0.334 159 R C 0.910 177.311 176.300 0.168 0.000 1.117 159 R CA 0.355 56.513 56.100 0.097 0.000 0.966 159 R CB 0.706 30.978 30.300 -0.047 0.000 1.049 159 R HN 0.915 nan 8.270 nan 0.000 0.477 160 A N 3.998 126.920 122.820 0.170 0.000 1.915 160 A HA -0.325 3.997 4.320 0.002 0.000 0.220 160 A C 1.753 179.564 177.584 0.379 0.000 1.198 160 A CA 2.234 54.428 52.037 0.261 0.000 0.647 160 A CB -0.720 18.278 19.000 -0.005 0.000 0.825 160 A HN 0.962 nan 8.150 nan 0.000 0.456 161 D N -1.418 119.122 120.400 0.233 0.000 2.133 161 D HA -0.224 4.417 4.640 0.002 0.000 0.192 161 D C 1.694 178.145 176.300 0.252 0.000 1.001 161 D CA 2.170 56.285 54.000 0.192 0.000 0.844 161 D CB -0.316 40.495 40.800 0.019 0.000 0.944 161 D HN 0.787 nan 8.370 nan 0.000 0.447 162 H N -1.058 118.099 119.070 0.145 0.000 2.448 162 H HA 0.139 4.696 4.556 0.002 0.000 0.292 162 H C 2.192 177.573 175.328 0.088 0.000 1.035 162 H CA 0.034 56.143 56.048 0.102 0.000 1.349 162 H CB 0.337 30.155 29.762 0.093 0.000 1.425 162 H HN 0.116 nan 8.280 nan 0.000 0.539 163 L N 1.091 122.469 121.223 0.258 0.000 2.083 163 L HA -0.170 4.171 4.340 0.002 0.000 0.209 163 L C 2.303 179.182 176.870 0.015 0.000 1.083 163 L CA 0.588 55.508 54.840 0.135 0.000 0.752 163 L CB -0.085 42.092 42.059 0.196 0.000 0.899 163 L HN 0.368 nan 8.230 nan 0.000 0.433 164 L N 0.249 121.461 121.223 -0.018 0.000 2.141 164 L HA -0.250 4.091 4.340 0.002 0.000 0.209 164 L C 2.324 179.127 176.870 -0.113 0.000 1.094 164 L CA 1.832 56.520 54.840 -0.254 0.000 0.763 164 L CB -0.650 41.265 42.059 -0.240 0.000 0.908 164 L HN 0.336 nan 8.230 nan 0.000 0.437 165 K N -0.408 119.990 120.400 -0.004 0.000 2.167 165 K HA -0.037 4.284 4.320 0.002 0.000 0.203 165 K C 2.022 178.608 176.600 -0.023 0.000 1.052 165 K CA 0.989 57.272 56.287 -0.007 0.000 0.956 165 K CB 0.086 32.611 32.500 0.042 0.000 0.735 165 K HN 0.341 nan 8.250 nan 0.000 0.451 166 A N 0.189 123.009 122.820 -0.001 0.000 1.930 166 A HA -0.180 4.142 4.320 0.002 0.000 0.217 166 A C 1.907 179.479 177.584 -0.020 0.000 1.175 166 A CA 1.699 53.730 52.037 -0.011 0.000 0.627 166 A CB -0.786 18.215 19.000 0.002 0.000 0.815 166 A HN 0.520 nan 8.150 nan 0.000 0.443 167 H N 0.058 119.053 119.070 -0.126 0.000 2.299 167 H HA 0.020 4.577 4.556 0.002 0.000 0.302 167 H C 1.777 177.025 175.328 -0.134 0.000 1.078 167 H CA 1.948 57.914 56.048 -0.138 0.000 1.323 167 H CB -0.322 29.324 29.762 -0.194 0.000 1.381 167 H HN 0.316 nan 8.280 nan 0.000 0.498 168 L N 0.116 121.232 121.223 -0.178 0.000 2.081 168 L HA -0.253 4.089 4.340 0.002 0.000 0.212 168 L C 2.481 179.250 176.870 -0.168 0.000 1.080 168 L CA 1.644 56.343 54.840 -0.235 0.000 0.754 168 L CB -0.468 41.446 42.059 -0.240 0.000 0.893 168 L HN 0.490 nan 8.230 nan 0.000 0.433 169 Q N -0.496 119.229 119.800 -0.124 0.000 2.230 169 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 169 Q C 2.122 178.060 176.000 -0.104 0.000 0.963 169 Q CA 1.046 56.795 55.803 -0.089 0.000 0.866 169 Q CB 0.035 28.736 28.738 -0.061 0.000 0.931 169 Q HN 0.233 nan 8.270 nan 0.000 0.452 170 K N 0.936 121.247 120.400 -0.149 0.000 2.057 170 K HA -0.080 4.241 4.320 0.002 0.000 0.206 170 K C 1.771 178.277 176.600 -0.157 0.000 1.050 170 K CA 0.984 57.180 56.287 -0.151 0.000 0.935 170 K CB -0.070 32.316 32.500 -0.189 0.000 0.715 170 K HN 0.111 nan 8.250 nan 0.000 0.439 171 L N -0.180 120.915 121.223 -0.214 0.000 2.027 171 L HA -0.119 4.222 4.340 0.002 0.000 0.206 171 L C 2.368 179.190 176.870 -0.079 0.000 1.074 171 L CA 1.201 55.952 54.840 -0.149 0.000 0.745 171 L CB -0.447 41.523 42.059 -0.148 0.000 0.898 171 L HN 0.208 nan 8.230 nan 0.000 0.433 172 M N -0.920 118.637 119.600 -0.072 0.000 2.346 172 M HA -0.178 4.303 4.480 0.002 0.000 0.263 172 M C 2.406 178.684 176.300 -0.036 0.000 1.064 172 M CA 1.361 56.636 55.300 -0.040 0.000 1.083 172 M CB -0.389 32.190 32.600 -0.035 0.000 1.399 172 M HN 0.213 nan 8.290 nan 0.000 0.435 173 S N -0.023 115.647 115.700 -0.049 0.000 2.421 173 S HA -0.065 4.406 4.470 0.002 0.000 0.224 173 S C 0.449 175.028 174.600 -0.035 0.000 1.035 173 S CA 0.101 58.277 58.200 -0.040 0.000 0.953 173 S CB -0.140 63.032 63.200 -0.046 0.000 0.810 173 S HN 0.426 nan 8.310 nan 0.000 0.497 174 D N 1.465 121.840 120.400 -0.041 0.000 2.531 174 D HA 0.035 4.676 4.640 0.002 0.000 0.239 174 D C 1.125 177.411 176.300 -0.023 0.000 1.144 174 D CA 0.181 54.162 54.000 -0.032 0.000 0.869 174 D CB 0.730 41.508 40.800 -0.037 0.000 1.160 174 D HN -0.011 nan 8.370 nan 0.000 0.484 175 K N 3.048 123.437 120.400 -0.018 0.000 2.280 175 K HA -0.131 4.191 4.320 0.002 0.000 0.202 175 K C 1.170 177.764 176.600 -0.011 0.000 1.047 175 K CA 0.947 57.226 56.287 -0.013 0.000 0.942 175 K CB -0.072 32.421 32.500 -0.011 0.000 0.739 175 K HN 0.519 nan 8.250 nan 0.000 0.457 176 K N 0.186 120.579 120.400 -0.012 0.000 2.487 176 K HA 0.014 4.335 4.320 0.002 0.000 0.192 176 K C 0.513 177.108 176.600 -0.008 0.000 1.027 176 K CA -0.183 56.099 56.287 -0.009 0.000 1.054 176 K CB -0.020 32.475 32.500 -0.009 0.000 0.824 176 K HN 0.010 nan 8.250 nan 0.000 0.510 177 C N 2.635 121.929 119.300 -0.009 0.000 2.514 177 C HA 0.211 4.672 4.460 0.002 0.000 0.392 177 C C 0.961 175.950 174.990 -0.002 0.000 1.294 177 C CA -0.823 58.191 59.018 -0.006 0.000 1.957 177 C CB -0.318 27.417 27.740 -0.009 0.000 2.541 177 C HN 0.517 nan 8.230 nan 0.000 0.569 178 S N 4.421 120.121 115.700 0.001 0.000 2.592 178 S HA 0.238 4.709 4.470 0.002 0.000 0.271 178 S C 1.140 175.743 174.600 0.006 0.000 1.326 178 S CA -0.110 58.091 58.200 0.003 0.000 1.024 178 S CB 1.161 64.363 63.200 0.002 0.000 0.921 178 S HN 1.449 nan 8.310 nan 0.000 0.527 179 V N -0.437 119.481 119.914 0.006 0.000 2.407 179 V HA -0.128 3.993 4.120 0.002 0.000 0.248 179 V C 2.097 178.199 176.094 0.012 0.000 1.055 179 V CA 1.792 64.097 62.300 0.008 0.000 1.049 179 V CB -1.397 30.431 31.823 0.008 0.000 0.662 179 V HN 0.919 nan 8.190 nan 0.000 0.455 180 E N 0.578 120.785 120.200 0.011 0.000 2.150 180 E HA -0.201 4.150 4.350 0.002 0.000 0.193 180 E C 2.209 178.821 176.600 0.021 0.000 0.985 180 E CA 1.428 57.836 56.400 0.014 0.000 0.814 180 E CB -0.117 29.588 29.700 0.009 0.000 0.752 180 E HN 0.719 nan 8.360 nan 0.000 0.466 181 K N 1.491 121.904 120.400 0.021 0.000 2.137 181 K HA -0.101 4.220 4.320 0.002 0.000 0.202 181 K C 2.126 178.753 176.600 0.044 0.000 1.052 181 K CA 0.710 57.018 56.287 0.035 0.000 0.961 181 K CB 0.137 32.656 32.500 0.032 0.000 0.741 181 K HN -0.144 nan 8.250 nan 0.000 0.452 182 K N 0.472 120.889 120.400 0.029 0.000 2.074 182 K HA -0.184 4.137 4.320 0.002 0.000 0.209 182 K C 2.151 178.768 176.600 0.029 0.000 1.048 182 K CA 1.853 58.154 56.287 0.023 0.000 0.926 182 K CB -0.233 32.275 32.500 0.013 0.000 0.713 182 K HN 0.097 nan 8.250 nan 0.000 0.444 183 S N 0.729 116.447 115.700 0.030 0.000 2.343 183 S HA -0.226 4.246 4.470 0.002 0.000 0.219 183 S C 1.920 176.547 174.600 0.045 0.000 1.033 183 S CA 1.800 60.020 58.200 0.033 0.000 1.014 183 S CB -0.427 62.790 63.200 0.029 0.000 0.915 183 S HN 0.513 nan 8.310 nan 0.000 0.435 184 E N -0.001 120.231 120.200 0.053 0.000 2.136 184 E HA -0.258 4.093 4.350 0.002 0.000 0.202 184 E C 2.096 178.753 176.600 0.095 0.000 1.019 184 E CA 1.804 58.248 56.400 0.073 0.000 0.819 184 E CB -0.248 29.499 29.700 0.078 0.000 0.739 184 E HN 0.625 nan 8.360 nan 0.000 0.458 185 M N -0.057 119.595 119.600 0.087 0.000 2.123 185 M HA -0.105 4.376 4.480 0.002 0.000 0.263 185 M C 2.188 178.506 176.300 0.031 0.000 1.069 185 M CA 1.357 56.693 55.300 0.059 0.000 1.133 185 M CB -0.205 32.413 32.600 0.030 0.000 1.356 185 M HN 0.081 nan 8.290 nan 0.000 0.415 186 E N 0.124 120.342 120.200 0.030 0.000 2.171 186 E HA -0.157 4.194 4.350 0.002 0.000 0.197 186 E C 2.018 178.640 176.600 0.037 0.000 0.997 186 E CA 1.470 57.886 56.400 0.027 0.000 0.810 186 E CB -0.079 29.638 29.700 0.028 0.000 0.738 186 E HN 0.415 nan 8.360 nan 0.000 0.467 187 S N 0.160 115.890 115.700 0.050 0.000 2.406 187 S HA -0.084 4.387 4.470 0.002 0.000 0.228 187 S C 2.160 176.810 174.600 0.084 0.000 1.020 187 S CA 0.609 58.845 58.200 0.059 0.000 0.965 187 S CB 0.061 63.300 63.200 0.066 0.000 0.798 187 S HN 0.063 nan 8.310 nan 0.000 0.488 188 V N 2.176 122.155 119.914 0.108 0.000 2.358 188 V HA -0.082 4.039 4.120 0.002 0.000 0.246 188 V C 2.132 178.295 176.094 0.115 0.000 1.047 188 V CA 1.357 63.770 62.300 0.188 0.000 1.035 188 V CB -0.689 31.217 31.823 0.139 0.000 0.658 188 V HN 0.419 nan 8.190 nan 0.000 0.452 189 L N 0.349 121.594 121.223 0.036 0.000 2.141 189 L HA -0.034 4.307 4.340 0.002 0.000 0.209 189 L C 2.225 179.080 176.870 -0.025 0.000 1.094 189 L CA 1.293 56.133 54.840 0.001 0.000 0.763 189 L CB -0.589 41.468 42.059 -0.003 0.000 0.908 189 L HN 0.347 nan 8.230 nan 0.000 0.437 190 A N -0.860 121.952 122.820 -0.013 0.000 2.346 190 A HA 0.006 4.327 4.320 0.002 0.000 0.242 190 A C 1.221 178.752 177.584 -0.087 0.000 1.323 190 A CA 0.460 52.485 52.037 -0.020 0.000 0.940 190 A CB -0.261 18.751 19.000 0.019 0.000 0.943 190 A HN 0.490 nan 8.150 nan 0.000 0.501 191 Q N -1.451 118.238 119.800 -0.186 0.000 1.858 191 Q HA 0.316 4.657 4.340 0.002 0.000 0.190 191 Q C 0.765 176.296 176.000 -0.782 0.000 0.817 191 Q CA -0.097 55.483 55.803 -0.371 0.000 0.910 191 Q CB -0.124 28.448 28.738 -0.277 0.000 1.248 191 Q HN 0.519 nan 8.270 nan 0.000 0.397 192 L N 0.190 121.131 121.223 -0.471 0.000 2.056 192 L HA -0.105 4.236 4.340 0.002 0.000 0.207 192 L C 0.689 177.388 176.870 -0.286 0.000 1.078 192 L CA 1.419 56.032 54.840 -0.378 0.000 0.749 192 L CB 0.247 42.257 42.059 -0.082 0.000 0.901 192 L HN 0.333 nan 8.230 nan 0.000 0.433 193 D N -0.305 119.961 120.400 -0.223 0.000 2.338 193 D HA -0.062 4.579 4.640 0.002 0.000 0.239 193 D C 0.743 176.939 176.300 -0.173 0.000 1.095 193 D CA 0.423 54.327 54.000 -0.160 0.000 0.888 193 D CB 0.048 40.743 40.800 -0.176 0.000 0.899 193 D HN 0.453 nan 8.370 nan 0.000 0.525 194 N N -0.857 117.692 118.700 -0.251 0.000 2.460 194 N HA 0.005 4.746 4.740 0.002 0.000 0.193 194 N C -0.005 175.517 175.510 0.020 0.000 1.080 194 N CA -0.092 52.867 53.050 -0.153 0.000 0.869 194 N CB 0.163 38.529 38.487 -0.202 0.000 1.201 194 N HN 0.218 nan 8.380 nan 0.000 0.457 195 Y N 1.562 121.876 120.300 0.023 0.000 2.754 195 Y HA 0.168 4.720 4.550 0.002 0.000 0.349 195 Y C 1.487 177.410 175.900 0.037 0.000 1.179 195 Y CA -0.977 57.135 58.100 0.021 0.000 1.538 195 Y CB -0.091 38.381 38.460 0.020 0.000 1.200 195 Y HN -0.022 nan 8.280 nan 0.000 0.522 196 G N 2.334 111.244 108.800 0.182 0.000 2.476 196 G HA2 0.145 4.106 3.960 0.002 0.000 0.286 196 G HA3 0.145 4.106 3.960 0.002 0.000 0.286 196 G C 0.479 175.321 174.900 -0.096 0.000 1.177 196 G CA -0.483 44.699 45.100 0.136 0.000 0.870 196 G HN 0.701 nan 8.290 nan 0.000 0.528 197 Q N 0.090 119.732 119.800 -0.264 0.000 2.440 197 Q HA -0.403 3.938 4.340 0.002 0.000 0.228 197 Q C 2.301 178.071 176.000 -0.382 0.000 1.100 197 Q CA 3.375 58.822 55.803 -0.594 0.000 0.991 197 Q CB -0.902 27.767 28.738 -0.114 0.000 1.027 197 Q HN 0.683 nan 8.270 nan 0.000 0.528 198 Q N -0.024 119.672 119.800 -0.174 0.000 1.975 198 Q HA -0.160 4.182 4.340 0.002 0.000 0.205 198 Q C 1.963 177.890 176.000 -0.122 0.000 0.990 198 Q CA 2.570 58.300 55.803 -0.122 0.000 0.845 198 Q CB -0.508 28.191 28.738 -0.066 0.000 0.913 198 Q HN 0.691 nan 8.270 nan 0.000 0.420 199 E N -0.171 119.967 120.200 -0.103 0.000 2.169 199 E HA -0.244 4.107 4.350 0.002 0.000 0.202 199 E C 2.087 178.600 176.600 -0.145 0.000 1.016 199 E CA 1.421 57.740 56.400 -0.135 0.000 0.817 199 E CB -0.320 29.316 29.700 -0.106 0.000 0.736 199 E HN 0.370 nan 8.360 nan 0.000 0.462 200 L N 0.116 121.276 121.223 -0.105 0.000 2.056 200 L HA -0.150 4.191 4.340 0.002 0.000 0.207 200 L C 2.526 179.443 176.870 0.078 0.000 1.078 200 L CA 0.837 55.679 54.840 0.002 0.000 0.749 200 L CB -0.325 41.672 42.059 -0.104 0.000 0.901 200 L HN 0.150 nan 8.230 nan 0.000 0.433 201 A N -0.137 122.643 122.820 -0.068 0.000 1.908 201 A HA -0.262 4.059 4.320 0.002 0.000 0.218 201 A C 1.896 179.509 177.584 0.049 0.000 1.181 201 A CA 2.102 54.118 52.037 -0.036 0.000 0.627 201 A CB -0.557 18.385 19.000 -0.097 0.000 0.818 201 A HN 0.418 nan 8.150 nan 0.000 0.445 202 D N 0.152 120.554 120.400 0.003 0.000 2.084 202 D HA -0.121 4.520 4.640 0.002 0.000 0.194 202 D C 2.007 178.334 176.300 0.046 0.000 0.990 202 D CA 1.258 55.259 54.000 0.001 0.000 0.826 202 D CB -0.477 40.295 40.800 -0.047 0.000 0.971 202 D HN 0.446 nan 8.370 nan 0.000 0.453 203 L N -0.161 121.091 121.223 0.048 0.000 2.127 203 L HA -0.169 4.172 4.340 0.002 0.000 0.211 203 L C 2.341 179.288 176.870 0.129 0.000 1.089 203 L CA 0.757 55.667 54.840 0.117 0.000 0.757 203 L CB -0.387 41.682 42.059 0.017 0.000 0.899 203 L HN -0.054 nan 8.230 nan 0.000 0.434 204 F N -1.214 118.749 119.950 0.021 0.000 2.699 204 F HA -0.106 4.423 4.527 0.002 0.000 0.298 204 F C 1.891 177.688 175.800 -0.005 0.000 1.154 204 F CA 0.559 58.558 58.000 -0.002 0.000 1.457 204 F CB 0.116 39.096 39.000 -0.034 0.000 1.106 204 F HN -0.179 nan 8.300 nan 0.000 0.585 205 V N -1.136 118.858 119.914 0.133 0.000 2.806 205 V HA -0.112 4.009 4.120 0.002 0.000 0.239 205 V C 1.703 177.800 176.094 0.005 0.000 1.113 205 V CA 1.090 63.425 62.300 0.058 0.000 1.137 205 V CB -0.532 31.310 31.823 0.033 0.000 0.865 205 V HN 0.184 nan 8.190 nan 0.000 0.482 206 N N -0.089 118.601 118.700 -0.017 0.000 2.094 206 N HA -0.222 4.519 4.740 0.002 0.000 0.191 206 N C 1.513 176.876 175.510 -0.245 0.000 1.023 206 N CA 1.852 54.813 53.050 -0.149 0.000 0.857 206 N CB -0.203 38.160 38.487 -0.207 0.000 1.013 206 N HN 0.498 nan 8.380 nan 0.000 0.426 207 Y N 0.266 120.531 120.300 -0.057 0.000 2.466 207 Y HA 0.113 4.665 4.550 0.002 0.000 0.272 207 Y C 0.368 176.213 175.900 -0.091 0.000 1.169 207 Y CA -0.390 57.689 58.100 -0.035 0.000 1.285 207 Y CB -0.237 38.215 38.460 -0.014 0.000 1.078 207 Y HN 0.032 nan 8.280 nan 0.000 0.523 208 N N 0.544 119.247 118.700 0.004 0.000 2.688 208 N HA -0.188 4.553 4.740 0.002 0.000 0.258 208 N C -1.059 174.358 175.510 -0.154 0.000 1.016 208 N CA 0.243 53.272 53.050 -0.035 0.000 0.747 208 N CB -1.053 37.426 38.487 -0.014 0.000 0.895 208 N HN 0.007 nan 8.380 nan 0.000 0.543 209 V N 1.052 120.809 119.914 -0.261 0.000 2.740 209 V HA 0.183 4.304 4.120 0.002 0.000 0.303 209 V C 0.949 176.949 176.094 -0.156 0.000 1.054 209 V CA 0.494 62.511 62.300 -0.471 0.000 1.106 209 V CB 1.071 32.514 31.823 -0.634 0.000 0.957 209 V HN 0.347 nan 8.190 nan 0.000 0.486 210 K N 1.941 122.239 120.400 -0.170 0.000 2.512 210 K HA 0.439 4.760 4.320 0.002 0.000 0.263 210 K C -0.509 176.052 176.600 -0.066 0.000 0.966 210 K CA -0.729 55.529 56.287 -0.048 0.000 0.851 210 K CB 1.878 34.361 32.500 -0.029 0.000 1.395 210 K HN 0.556 nan 8.250 nan 0.000 0.440 211 S N 2.601 118.285 115.700 -0.027 0.000 2.810 211 S HA -0.028 4.443 4.470 0.002 0.000 0.329 211 S C -1.169 173.352 174.600 -0.131 0.000 1.231 211 S CA -0.844 57.306 58.200 -0.083 0.000 1.042 211 S CB 0.264 63.513 63.200 0.081 0.000 0.756 211 S HN 0.409 nan 8.310 nan 0.000 0.504 212 P HA -0.004 nan 4.420 nan 0.000 0.225 212 P C 0.135 177.402 177.300 -0.054 0.000 1.148 212 P CA 0.694 63.694 63.100 -0.167 0.000 0.779 212 P CB -0.399 31.146 31.700 -0.258 0.000 0.780 213 I N -5.432 115.133 120.570 -0.007 0.000 2.474 213 I HA 0.478 4.649 4.170 0.002 0.000 0.294 213 I C 0.584 176.734 176.117 0.055 0.000 1.005 213 I CA -1.016 60.315 61.300 0.052 0.000 1.113 213 I CB 0.910 38.977 38.000 0.113 0.000 1.289 213 I HN -0.322 nan 8.210 nan 0.000 0.436 214 T N 4.501 119.081 114.554 0.042 0.000 3.669 214 T HA -0.202 4.149 4.350 0.002 0.000 0.371 214 T C 0.974 175.695 174.700 0.036 0.000 0.763 214 T CA 0.914 63.036 62.100 0.038 0.000 1.877 214 T CB -2.000 66.894 68.868 0.043 0.000 1.799 214 T HN 2.053 nan 8.240 nan 0.000 0.720 215 G N 2.189 111.004 108.800 0.026 0.000 2.465 215 G HA2 -0.186 3.776 3.960 0.002 0.000 0.310 215 G HA3 -0.186 3.776 3.960 0.002 0.000 0.310 215 G C 0.286 175.202 174.900 0.027 0.000 0.299 215 G CA 0.715 45.826 45.100 0.019 0.000 1.113 215 G HN 0.892 nan 8.290 nan 0.000 0.469 216 N N 0.607 119.332 118.700 0.041 0.000 2.593 216 N HA 0.493 5.234 4.740 0.002 0.000 0.304 216 N C -0.605 174.930 175.510 0.043 0.000 1.296 216 N CA -0.769 52.306 53.050 0.043 0.000 0.950 216 N CB 0.671 39.191 38.487 0.056 0.000 1.127 216 N HN 0.243 nan 8.380 nan 0.000 0.587 217 D N -0.217 120.209 120.400 0.043 0.000 2.232 217 D HA 0.339 4.981 4.640 0.002 0.000 0.242 217 D C -0.904 175.430 176.300 0.056 0.000 1.093 217 D CA -0.373 53.653 54.000 0.042 0.000 0.845 217 D CB 0.665 41.483 40.800 0.029 0.000 1.124 217 D HN 0.127 nan 8.370 nan 0.000 0.467 218 L N 2.256 123.522 121.223 0.072 0.000 2.326 218 L HA 0.283 4.624 4.340 0.002 0.000 0.278 218 L C 0.839 177.720 176.870 0.018 0.000 1.092 218 L CA -0.406 54.479 54.840 0.074 0.000 0.810 218 L CB 0.845 42.979 42.059 0.124 0.000 1.153 218 L HN 0.428 nan 8.230 nan 0.000 0.439 219 S N 4.459 120.153 115.700 -0.010 0.000 2.589 219 S HA 0.449 4.920 4.470 0.002 0.000 0.265 219 S C -2.325 172.216 174.600 -0.097 0.000 1.342 219 S CA -1.012 57.164 58.200 -0.040 0.000 1.005 219 S CB 0.010 63.186 63.200 -0.039 0.000 0.909 219 S HN 0.542 nan 8.310 nan 0.000 0.555 220 P HA 0.208 nan 4.420 nan 0.000 0.269 220 P C -2.616 174.564 177.300 -0.200 0.000 1.209 220 P CA -1.350 61.661 63.100 -0.148 0.000 0.776 220 P CB -0.744 30.901 31.700 -0.092 0.000 0.876 221 P HA 0.009 nan 4.420 nan 0.000 0.266 221 P C -0.274 176.961 177.300 -0.108 0.000 1.215 221 P CA 0.308 63.234 63.100 -0.290 0.000 0.763 221 P CB 0.383 31.804 31.700 -0.466 0.000 0.806 222 V N 0.469 120.409 119.914 0.044 0.000 2.823 222 V HA 0.529 4.650 4.120 0.002 0.000 0.312 222 V C 0.121 176.389 176.094 0.290 0.000 1.072 222 V CA -0.963 61.428 62.300 0.152 0.000 0.937 222 V CB 1.771 33.634 31.823 0.067 0.000 1.013 222 V HN 0.382 nan 8.190 nan 0.000 0.430 223 S N 2.993 118.867 115.700 0.289 0.000 2.562 223 S HA 0.545 5.016 4.470 0.002 0.000 0.281 223 S C -0.710 173.956 174.600 0.111 0.000 1.333 223 S CA 0.103 58.349 58.200 0.077 0.000 1.052 223 S CB 0.174 63.351 63.200 -0.039 0.000 0.884 223 S HN 0.941 nan 8.310 nan 0.000 0.506 224 F N 4.566 124.432 119.950 -0.141 0.000 2.659 224 F HA 0.313 4.841 4.527 0.002 0.000 0.342 224 F C -0.249 175.462 175.800 -0.148 0.000 1.168 224 F CA -1.091 56.840 58.000 -0.115 0.000 1.003 224 F CB 0.608 39.547 39.000 -0.103 0.000 1.267 224 F HN 0.508 nan 8.300 nan 0.000 0.463 225 N N 6.191 124.528 118.700 -0.605 0.000 2.411 225 N HA 0.008 4.749 4.740 0.002 0.000 0.265 225 N C 0.787 175.774 175.510 -0.872 0.000 1.266 225 N CA 0.325 53.036 53.050 -0.565 0.000 0.889 225 N CB 0.833 39.114 38.487 -0.344 0.000 1.069 225 N HN 0.923 nan 8.380 nan 0.000 0.476 226 L N 3.196 124.110 121.223 -0.516 0.000 2.492 226 L HA 0.091 4.432 4.340 0.002 0.000 0.223 226 L C 1.068 177.823 176.870 -0.192 0.000 1.132 226 L CA 0.324 54.934 54.840 -0.383 0.000 0.850 226 L CB -0.080 41.824 42.059 -0.258 0.000 0.966 226 L HN 0.504 nan 8.230 nan 0.000 0.454 227 M N -0.058 119.484 119.600 -0.098 0.000 2.228 227 M HA 0.127 4.608 4.480 0.002 0.000 0.351 227 M C -0.329 175.922 176.300 -0.081 0.000 1.233 227 M CA -0.067 55.187 55.300 -0.077 0.000 1.129 227 M CB 0.543 32.975 32.600 -0.279 0.000 1.604 227 M HN -0.173 nan 8.290 nan 0.000 0.457 228 F N 2.784 122.782 119.950 0.080 0.000 2.496 228 F HA 0.219 4.747 4.527 0.002 0.000 0.344 228 F C 0.731 176.598 175.800 0.111 0.000 1.155 228 F CA 0.545 58.581 58.000 0.059 0.000 1.302 228 F CB 0.418 39.412 39.000 -0.011 0.000 1.159 228 F HN 0.339 nan 8.300 nan 0.000 0.595 229 K N 1.363 121.892 120.400 0.214 0.000 2.378 229 K HA 0.623 4.944 4.320 0.002 0.000 0.252 229 K C -0.868 175.600 176.600 -0.219 0.000 0.931 229 K CA -0.307 55.967 56.287 -0.022 0.000 0.794 229 K CB 1.876 34.338 32.500 -0.063 0.000 1.181 229 K HN 0.799 nan 8.250 nan 0.000 0.425 230 T N 1.317 115.621 114.554 -0.417 0.000 2.626 230 T HA 0.562 4.913 4.350 0.002 0.000 0.299 230 T C -1.206 173.086 174.700 -0.681 0.000 1.181 230 T CA -0.534 61.286 62.100 -0.466 0.000 1.053 230 T CB 0.660 69.388 68.868 -0.234 0.000 1.566 230 T HN 0.403 nan 8.240 nan 0.000 0.486 231 F N 0.744 120.641 119.950 -0.088 0.000 2.562 231 F HA 0.546 5.074 4.527 0.002 0.000 0.319 231 F C -0.471 175.285 175.800 -0.073 0.000 1.154 231 F CA -1.061 56.889 58.000 -0.084 0.000 0.931 231 F CB 1.299 40.261 39.000 -0.064 0.000 1.198 231 F HN 0.244 nan 8.300 nan 0.000 0.444 232 I N 3.861 124.505 120.570 0.124 0.000 2.337 232 I HA 0.544 4.716 4.170 0.002 0.000 0.291 232 I C 0.637 176.778 176.117 0.040 0.000 1.046 232 I CA 0.022 61.350 61.300 0.047 0.000 1.324 232 I CB 0.426 38.434 38.000 0.014 0.000 1.409 232 I HN 0.822 nan 8.210 nan 0.000 0.494 233 G N 7.450 116.264 108.800 0.025 0.000 2.730 233 G HA2 -0.120 3.841 3.960 0.002 0.000 0.686 233 G HA3 -0.120 3.841 3.960 0.002 0.000 0.686 233 G C -2.718 172.181 174.900 -0.001 0.000 1.343 233 G CA -1.206 43.898 45.100 0.007 0.000 0.826 233 G HN 0.529 nan 8.290 nan 0.000 0.582 234 P HA 0.495 nan 4.420 nan 0.000 0.268 234 P C 0.923 178.185 177.300 -0.064 0.000 1.205 234 P CA 1.658 64.740 63.100 -0.031 0.000 0.771 234 P CB 0.857 32.541 31.700 -0.026 0.000 0.858 235 G N 1.534 110.274 108.800 -0.101 0.000 2.660 235 G HA2 0.113 4.074 3.960 0.002 0.000 0.247 235 G HA3 0.113 4.074 3.960 0.002 0.000 0.247 235 G C 0.137 174.857 174.900 -0.300 0.000 1.328 235 G CA -0.350 44.654 45.100 -0.161 0.000 0.884 235 G HN 0.766 nan 8.290 nan 0.000 0.531 236 G N -1.024 107.546 108.800 -0.382 0.000 4.100 236 G HA2 0.440 4.401 3.960 0.002 0.000 0.294 236 G HA3 0.440 4.401 3.960 0.002 0.000 0.294 236 G C 0.715 175.409 174.900 -0.342 0.000 1.040 236 G CA 0.921 45.616 45.100 -0.676 0.000 0.829 236 G HN 0.886 nan 8.290 nan 0.000 0.505 237 N N 0.101 118.693 118.700 -0.180 0.000 2.494 237 N HA 0.086 4.827 4.740 0.002 0.000 0.182 237 N C 0.944 176.432 175.510 -0.037 0.000 1.076 237 N CA 0.338 53.335 53.050 -0.089 0.000 0.908 237 N CB 0.237 38.685 38.487 -0.065 0.000 0.967 237 N HN 0.334 nan 8.380 nan 0.000 0.449 238 M N 1.317 120.907 119.600 -0.016 0.000 2.389 238 M HA 0.327 4.808 4.480 0.002 0.000 0.206 238 M C -2.894 173.475 176.300 0.113 0.000 0.976 238 M CA -2.016 53.304 55.300 0.032 0.000 0.648 238 M CB 1.245 33.856 32.600 0.018 0.000 1.474 238 M HN -0.145 nan 8.290 nan 0.000 0.398 239 P HA 0.394 nan 4.420 nan 0.000 0.275 239 P C -0.410 176.807 177.300 -0.138 0.000 1.227 239 P CA 0.249 63.467 63.100 0.197 0.000 0.781 239 P CB 1.490 33.319 31.700 0.214 0.000 0.906 240 G N 1.208 109.822 108.800 -0.311 0.000 2.708 240 G HA2 0.648 4.609 3.960 0.002 0.000 0.289 240 G HA3 0.648 4.609 3.960 0.002 0.000 0.289 240 G C -2.039 172.542 174.900 -0.532 0.000 1.416 240 G CA -0.580 44.288 45.100 -0.388 0.000 0.829 240 G HN 0.367 nan 8.290 nan 0.000 0.480 241 Y N -1.331 118.930 120.300 -0.066 0.000 2.633 241 Y HA 0.632 5.183 4.550 0.002 0.000 0.339 241 Y C 0.132 175.981 175.900 -0.085 0.000 1.045 241 Y CA -1.024 57.037 58.100 -0.065 0.000 1.098 241 Y CB 1.994 40.429 38.460 -0.042 0.000 1.296 241 Y HN 0.263 nan 8.280 nan 0.000 0.494 242 L N 2.972 124.260 121.223 0.109 0.000 2.257 242 L HA 0.447 4.788 4.340 0.002 0.000 0.290 242 L C 0.097 177.026 176.870 0.098 0.000 1.044 242 L CA -0.898 53.907 54.840 -0.058 0.000 0.810 242 L CB 0.855 42.651 42.059 -0.439 0.000 1.193 242 L HN 0.641 nan 8.230 nan 0.000 0.425 243 R N 4.660 125.198 120.500 0.064 0.000 2.504 243 R HA -0.059 4.282 4.340 0.002 0.000 0.302 243 R C -1.952 174.355 176.300 0.012 0.000 0.893 243 R CA -0.631 55.469 56.100 0.000 0.000 1.138 243 R CB -0.033 30.254 30.300 -0.020 0.000 0.880 243 R HN 0.378 nan 8.270 nan 0.000 0.415 244 P HA -0.118 nan 4.420 nan 0.000 0.231 244 P C -0.403 176.832 177.300 -0.107 0.000 1.168 244 P CA 1.070 64.074 63.100 -0.161 0.000 0.779 244 P CB 0.267 31.527 31.700 -0.733 0.000 0.844 245 E N -1.563 118.546 120.200 -0.152 0.000 2.458 245 E HA 0.333 4.684 4.350 0.002 0.000 0.278 245 E C 0.069 176.598 176.600 -0.119 0.000 1.004 245 E CA -0.633 55.714 56.400 -0.088 0.000 0.823 245 E CB 0.669 30.355 29.700 -0.022 0.000 1.396 245 E HN -0.221 nan 8.360 nan 0.000 0.463 246 T N -2.510 111.975 114.554 -0.116 0.000 3.034 246 T HA 0.250 4.601 4.350 0.002 0.000 0.248 246 T C 1.982 176.581 174.700 -0.169 0.000 1.040 246 T CA 0.725 62.746 62.100 -0.131 0.000 1.107 246 T CB -0.198 68.589 68.868 -0.134 0.000 0.932 246 T HN 0.544 nan 8.240 nan 0.000 0.474 247 A N 2.290 124.988 122.820 -0.204 0.000 1.929 247 A HA -0.283 4.038 4.320 0.002 0.000 0.221 247 A C 2.452 179.738 177.584 -0.496 0.000 1.211 247 A CA 2.165 53.967 52.037 -0.392 0.000 0.657 247 A CB -1.063 17.755 19.000 -0.303 0.000 0.827 247 A HN 0.488 nan 8.150 nan 0.000 0.462 248 Q N -0.920 118.806 119.800 -0.123 0.000 2.173 248 Q HA -0.191 4.150 4.340 0.002 0.000 0.208 248 Q C 2.207 178.192 176.000 -0.025 0.000 0.989 248 Q CA 1.736 57.600 55.803 0.103 0.000 0.872 248 Q CB -1.153 27.641 28.738 0.093 0.000 0.909 248 Q HN 0.726 nan 8.270 nan 0.000 0.420 249 G N 0.585 109.323 108.800 -0.103 0.000 2.422 249 G HA2 -0.191 3.771 3.960 0.002 0.000 0.218 249 G HA3 -0.191 3.771 3.960 0.002 0.000 0.218 249 G C 1.553 176.406 174.900 -0.078 0.000 1.146 249 G CA 0.558 45.610 45.100 -0.081 0.000 0.769 249 G HN 0.342 nan 8.290 nan 0.000 0.547 250 I N -0.168 120.300 120.570 -0.169 0.000 2.394 250 I HA -0.065 4.107 4.170 0.002 0.000 0.251 250 I C 2.268 178.441 176.117 0.094 0.000 1.136 250 I CA 0.584 61.834 61.300 -0.085 0.000 1.425 250 I CB -0.217 37.676 38.000 -0.179 0.000 1.079 250 I HN 0.038 nan 8.210 nan 0.000 0.425 251 F N 0.791 120.862 119.950 0.202 0.000 2.146 251 F HA -0.103 4.425 4.527 0.002 0.000 0.298 251 F C 2.236 178.081 175.800 0.076 0.000 1.096 251 F CA 1.016 59.139 58.000 0.206 0.000 1.275 251 F CB -1.055 38.054 39.000 0.183 0.000 1.008 251 F HN -0.065 nan 8.300 nan 0.000 0.480 252 L N -0.156 121.127 121.223 0.099 0.000 2.456 252 L HA -0.146 4.195 4.340 0.002 0.000 0.224 252 L C 0.983 177.885 176.870 0.054 0.000 1.148 252 L CA 0.897 55.717 54.840 -0.033 0.000 0.825 252 L CB -0.470 41.515 42.059 -0.123 0.000 0.937 252 L HN 0.197 nan 8.230 nan 0.000 0.450 253 N N -1.321 117.442 118.700 0.105 0.000 2.235 253 N HA 0.026 4.767 4.740 0.002 0.000 0.231 253 N C 1.171 176.752 175.510 0.118 0.000 1.177 253 N CA -0.072 53.027 53.050 0.081 0.000 0.874 253 N CB 0.509 39.017 38.487 0.034 0.000 1.097 253 N HN 0.132 nan 8.380 nan 0.000 0.518 254 F N 2.461 122.436 119.950 0.042 0.000 2.120 254 F HA -0.176 4.352 4.527 0.002 0.000 0.300 254 F C 2.128 177.910 175.800 -0.030 0.000 1.095 254 F CA 1.583 59.582 58.000 -0.002 0.000 1.249 254 F CB 0.280 39.264 39.000 -0.027 0.000 0.995 254 F HN -0.154 nan 8.300 nan 0.000 0.480 255 K N 0.354 120.754 120.400 -0.000 0.000 1.971 255 K HA -0.221 4.100 4.320 0.002 0.000 0.221 255 K C 2.319 178.818 176.600 -0.168 0.000 1.050 255 K CA 1.414 57.645 56.287 -0.092 0.000 0.967 255 K CB -0.891 31.617 32.500 0.013 0.000 0.733 255 K HN 0.085 nan 8.250 nan 0.000 0.445 256 R N 1.326 121.783 120.500 -0.071 0.000 2.117 256 R HA -0.076 4.265 4.340 0.002 0.000 0.243 256 R C 2.404 178.685 176.300 -0.031 0.000 1.143 256 R CA 1.139 57.227 56.100 -0.020 0.000 0.968 256 R CB -0.847 29.473 30.300 0.033 0.000 0.863 256 R HN 0.268 nan 8.270 nan 0.000 0.444 257 L N -0.040 121.085 121.223 -0.164 0.000 2.027 257 L HA -0.202 4.139 4.340 0.002 0.000 0.206 257 L C 2.390 178.914 176.870 -0.578 0.000 1.074 257 L CA 0.824 55.503 54.840 -0.268 0.000 0.745 257 L CB -0.526 41.468 42.059 -0.109 0.000 0.898 257 L HN 0.157 nan 8.230 nan 0.000 0.433 258 L N 0.248 120.951 121.223 -0.866 0.000 2.131 258 L HA -0.230 4.111 4.340 0.002 0.000 0.210 258 L C 2.384 178.901 176.870 -0.588 0.000 1.092 258 L CA 1.763 55.928 54.840 -1.125 0.000 0.759 258 L CB -0.583 40.856 42.059 -1.032 0.000 0.903 258 L HN 0.291 nan 8.230 nan 0.000 0.435 259 E N -1.242 118.760 120.200 -0.329 0.000 2.153 259 E HA -0.272 4.079 4.350 0.002 0.000 0.194 259 E C 2.043 178.557 176.600 -0.143 0.000 0.988 259 E CA 1.252 57.543 56.400 -0.183 0.000 0.811 259 E CB -0.269 29.366 29.700 -0.108 0.000 0.746 259 E HN 0.529 nan 8.360 nan 0.000 0.466 260 F N 1.256 121.031 119.950 -0.292 0.000 2.171 260 F HA -0.129 4.399 4.527 0.002 0.000 0.300 260 F C 2.086 177.764 175.800 -0.203 0.000 1.090 260 F CA 1.064 58.937 58.000 -0.212 0.000 1.293 260 F CB -0.135 38.754 39.000 -0.185 0.000 1.013 260 F HN 0.080 nan 8.300 nan 0.000 0.486 261 N N 0.643 119.269 118.700 -0.123 0.000 2.346 261 N HA -0.052 4.689 4.740 0.002 0.000 0.225 261 N C 0.145 175.589 175.510 -0.110 0.000 1.144 261 N CA 0.340 53.321 53.050 -0.114 0.000 0.837 261 N CB -0.075 38.310 38.487 -0.171 0.000 1.069 261 N HN 0.254 nan 8.380 nan 0.000 0.487 262 Q N -1.935 117.793 119.800 -0.120 0.000 2.305 262 Q HA -0.218 4.123 4.340 0.002 0.000 0.203 262 Q C 0.848 176.787 176.000 -0.101 0.000 0.663 262 Q CA 1.381 57.123 55.803 -0.100 0.000 1.389 262 Q CB -1.988 26.712 28.738 -0.063 0.000 1.566 262 Q HN 0.598 nan 8.270 nan 0.000 0.755 263 G N -0.593 108.121 108.800 -0.144 0.000 2.179 263 G HA2 -0.264 3.697 3.960 0.002 0.000 0.220 263 G HA3 -0.264 3.697 3.960 0.002 0.000 0.220 263 G C 0.063 174.928 174.900 -0.057 0.000 0.990 263 G CA 0.441 45.464 45.100 -0.129 0.000 0.646 263 G HN 0.304 nan 8.290 nan 0.000 0.517 264 K N -0.489 119.893 120.400 -0.030 0.000 2.106 264 K HA 0.847 5.168 4.320 0.002 0.000 0.246 264 K C -0.023 176.656 176.600 0.131 0.000 0.987 264 K CA -0.607 55.707 56.287 0.045 0.000 0.904 264 K CB 1.169 33.692 32.500 0.039 0.000 1.071 264 K HN 0.090 nan 8.250 nan 0.000 0.453 265 L N 1.793 123.120 121.223 0.173 0.000 2.319 265 L HA 0.579 4.920 4.340 0.002 0.000 0.267 265 L C -2.109 174.855 176.870 0.157 0.000 1.011 265 L CA -1.654 53.334 54.840 0.247 0.000 0.818 265 L CB 0.977 43.189 42.059 0.254 0.000 1.316 265 L HN 0.650 nan 8.230 nan 0.000 0.432 266 P HA 0.574 nan 4.420 nan 0.000 0.281 266 P C -1.479 175.915 177.300 0.157 0.000 1.264 266 P CA -0.356 62.805 63.100 0.102 0.000 0.824 266 P CB 1.388 33.104 31.700 0.027 0.000 1.092 267 F N -1.931 117.985 119.950 -0.056 0.000 2.650 267 F HA 0.724 5.252 4.527 0.002 0.000 0.310 267 F C -2.014 173.808 175.800 0.037 0.000 1.112 267 F CA -1.207 56.798 58.000 0.008 0.000 0.986 267 F CB 0.967 40.001 39.000 0.057 0.000 1.285 267 F HN 0.495 nan 8.300 nan 0.000 0.440 268 A N 2.491 125.347 122.820 0.060 0.000 2.342 268 A HA 0.962 5.283 4.320 0.002 0.000 0.323 268 A C -0.985 176.710 177.584 0.185 0.000 1.125 268 A CA -0.331 51.715 52.037 0.015 0.000 0.785 268 A CB 1.025 20.133 19.000 0.179 0.000 1.221 268 A HN 1.765 nan 8.150 nan 0.000 0.463 269 A N 1.078 123.986 122.820 0.146 0.000 2.340 269 A HA 0.936 5.257 4.320 0.002 0.000 0.331 269 A C 0.047 177.679 177.584 0.082 0.000 1.140 269 A CA 0.073 52.214 52.037 0.173 0.000 0.801 269 A CB 1.248 20.413 19.000 0.275 0.000 1.234 269 A HN 2.361 nan 8.150 nan 0.000 0.469 270 A N 0.880 123.749 122.820 0.080 0.000 2.532 270 A HA 0.866 5.187 4.320 0.002 0.000 0.290 270 A C -0.851 176.758 177.584 0.042 0.000 1.143 270 A CA -0.529 51.561 52.037 0.089 0.000 0.728 270 A CB 1.660 20.782 19.000 0.203 0.000 1.317 270 A HN 0.833 nan 8.150 nan 0.000 0.414 271 Q N -0.042 119.767 119.800 0.014 0.000 2.320 271 Q HA 0.512 4.853 4.340 0.002 0.000 0.272 271 Q C -1.980 173.951 176.000 -0.115 0.000 1.023 271 Q CA -0.330 55.446 55.803 -0.046 0.000 0.855 271 Q CB 2.181 30.872 28.738 -0.079 0.000 1.367 271 Q HN 0.671 nan 8.270 nan 0.000 0.406 272 I N 2.466 122.963 120.570 -0.121 0.000 2.537 272 I HA 0.571 4.743 4.170 0.002 0.000 0.276 272 I C 0.149 176.168 176.117 -0.163 0.000 1.063 272 I CA -0.401 60.776 61.300 -0.204 0.000 1.144 272 I CB 1.381 39.270 38.000 -0.186 0.000 1.252 272 I HN 0.620 nan 8.210 nan 0.000 0.480 273 G N 4.215 112.907 108.800 -0.180 0.000 2.827 273 G HA2 0.392 4.354 3.960 0.002 0.000 0.296 273 G HA3 0.392 4.354 3.960 0.002 0.000 0.296 273 G C -1.225 173.541 174.900 -0.224 0.000 1.362 273 G CA -0.663 44.339 45.100 -0.164 0.000 0.809 273 G HN 0.326 nan 8.290 nan 0.000 0.522 274 N N 0.243 118.805 118.700 -0.231 0.000 2.518 274 N HA 0.547 5.288 4.740 0.002 0.000 0.283 274 N C -0.635 174.602 175.510 -0.455 0.000 1.119 274 N CA 0.054 52.868 53.050 -0.394 0.000 0.983 274 N CB 1.701 39.947 38.487 -0.402 0.000 1.139 274 N HN 0.313 nan 8.380 nan 0.000 0.465 275 S N 0.984 116.230 115.700 -0.757 0.000 2.568 275 S HA 0.645 5.116 4.470 0.002 0.000 0.293 275 S C -0.990 173.151 174.600 -0.764 0.000 1.089 275 S CA -0.608 57.232 58.200 -0.601 0.000 0.945 275 S CB 0.945 63.768 63.200 -0.627 0.000 1.077 275 S HN 0.302 nan 8.310 nan 0.000 0.485 276 F N 1.781 121.660 119.950 -0.119 0.000 2.495 276 F HA 0.588 5.116 4.527 0.002 0.000 0.327 276 F C 0.567 176.566 175.800 0.331 0.000 1.103 276 F CA -0.816 57.278 58.000 0.158 0.000 0.949 276 F CB 1.411 40.553 39.000 0.237 0.000 1.142 276 F HN 0.183 nan 8.300 nan 0.000 0.457 277 R N 1.712 122.570 120.500 0.596 0.000 2.521 277 R HA 0.159 4.501 4.340 0.002 0.000 0.295 277 R C -0.990 175.439 176.300 0.215 0.000 1.183 277 R CA -0.710 55.643 56.100 0.422 0.000 0.957 277 R CB 1.286 31.878 30.300 0.488 0.000 1.171 277 R HN 0.532 nan 8.270 nan 0.000 0.494 278 N N 2.159 120.675 118.700 -0.306 0.000 2.736 278 N HA -0.079 4.662 4.740 0.002 0.000 0.307 278 N C -0.279 175.186 175.510 -0.074 0.000 1.212 278 N CA 0.275 52.986 53.050 -0.564 0.000 1.158 278 N CB 0.103 37.891 38.487 -1.165 0.000 1.460 278 N HN 0.308 nan 8.380 nan 0.000 0.514 279 E N 1.158 121.404 120.200 0.076 0.000 2.481 279 E HA -0.033 4.318 4.350 0.002 0.000 0.263 279 E C 1.194 177.867 176.600 0.121 0.000 0.992 279 E CA 0.188 56.647 56.400 0.098 0.000 0.938 279 E CB 0.433 30.200 29.700 0.112 0.000 0.933 279 E HN 0.419 nan 8.360 nan 0.000 0.453 280 I N 0.944 121.585 120.570 0.119 0.000 2.060 280 I HA -0.203 3.968 4.170 0.002 0.000 0.233 280 I C 1.144 177.264 176.117 0.004 0.000 1.054 280 I CA 1.047 62.374 61.300 0.045 0.000 1.318 280 I CB -0.146 37.855 38.000 0.002 0.000 1.054 280 I HN 0.268 nan 8.210 nan 0.000 0.395 281 S N 2.066 117.795 115.700 0.047 0.000 2.252 281 S HA 0.320 4.792 4.470 0.002 0.000 0.187 281 S C -2.387 172.284 174.600 0.119 0.000 1.587 281 S CA -1.514 56.732 58.200 0.075 0.000 1.215 281 S CB 0.296 63.571 63.200 0.124 0.000 1.085 281 S HN 0.014 nan 8.310 nan 0.000 0.466 282 P HA 0.272 nan 4.420 nan 0.000 0.270 282 P C -0.646 176.726 177.300 0.120 0.000 1.242 282 P CA -0.251 62.916 63.100 0.112 0.000 0.768 282 P CB 0.347 32.120 31.700 0.123 0.000 0.820 283 R N 1.586 122.153 120.500 0.112 0.000 2.559 283 R HA 0.201 4.543 4.340 0.002 0.000 0.448 283 R C -0.018 176.350 176.300 0.113 0.000 0.953 283 R CA -0.174 56.002 56.100 0.128 0.000 1.086 283 R CB 0.346 30.734 30.300 0.147 0.000 1.491 283 R HN 0.295 nan 8.270 nan 0.000 0.597 284 S N 0.394 116.083 115.700 -0.017 0.000 2.711 284 S HA 0.303 4.774 4.470 0.002 0.000 0.247 284 S C 0.850 175.151 174.600 -0.499 0.000 1.079 284 S CA 0.030 58.054 58.200 -0.293 0.000 1.050 284 S CB 1.345 64.244 63.200 -0.501 0.000 0.885 284 S HN 0.695 nan 8.310 nan 0.000 0.498 285 G N 2.455 111.137 108.800 -0.197 0.000 2.583 285 G HA2 -0.311 3.650 3.960 0.002 0.000 0.292 285 G HA3 -0.311 3.650 3.960 0.002 0.000 0.292 285 G C 0.482 174.998 174.900 -0.639 0.000 1.203 285 G CA 0.327 45.212 45.100 -0.357 0.000 0.987 285 G HN 0.436 nan 8.290 nan 0.000 0.554 286 L N 1.347 122.000 121.223 -0.949 0.000 2.610 286 L HA 0.129 4.470 4.340 0.002 0.000 0.232 286 L C 2.633 179.166 176.870 -0.562 0.000 1.149 286 L CA -0.122 54.245 54.840 -0.789 0.000 0.872 286 L CB -0.347 41.268 42.059 -0.740 0.000 0.992 286 L HN 0.421 nan 8.230 nan 0.000 0.447 287 I N -0.674 119.487 120.570 -0.681 0.000 2.406 287 I HA -0.084 4.087 4.170 0.002 0.000 0.249 287 I C 1.248 177.148 176.117 -0.360 0.000 1.122 287 I CA 0.993 61.973 61.300 -0.534 0.000 1.431 287 I CB -0.499 37.079 38.000 -0.703 0.000 1.087 287 I HN 0.144 nan 8.210 nan 0.000 0.424 288 R N 1.973 122.304 120.500 -0.282 0.000 2.423 288 R HA 0.392 4.733 4.340 0.002 0.000 0.293 288 R C -0.808 175.483 176.300 -0.014 0.000 1.196 288 R CA -0.296 55.728 56.100 -0.127 0.000 1.262 288 R CB 0.784 31.052 30.300 -0.053 0.000 1.116 288 R HN 0.029 nan 8.270 nan 0.000 0.566 289 V N -0.020 119.890 119.914 -0.007 0.000 2.815 289 V HA 0.561 4.682 4.120 0.002 0.000 0.314 289 V C 0.870 177.127 176.094 0.272 0.000 1.064 289 V CA -1.066 61.332 62.300 0.162 0.000 0.952 289 V CB 2.640 34.580 31.823 0.194 0.000 1.020 289 V HN 0.482 nan 8.190 nan 0.000 0.439 290 R N 0.328 121.029 120.500 0.336 0.000 2.317 290 R HA 0.357 4.698 4.340 0.002 0.000 0.208 290 R C 0.236 176.806 176.300 0.451 0.000 0.914 290 R CA 0.272 56.639 56.100 0.445 0.000 1.060 290 R CB 0.391 30.990 30.300 0.498 0.000 1.015 290 R HN 0.904 nan 8.270 nan 0.000 0.498 291 E N 0.734 121.131 120.200 0.329 0.000 2.334 291 E HA 0.220 4.571 4.350 0.002 0.000 0.280 291 E C -1.578 175.090 176.600 0.113 0.000 0.899 291 E CA -0.633 55.770 56.400 0.006 0.000 0.813 291 E CB 0.907 30.596 29.700 -0.018 0.000 1.318 291 E HN -0.012 nan 8.360 nan 0.000 0.399 292 F N -0.302 119.530 119.950 -0.197 0.000 2.662 292 F HA 0.591 5.119 4.527 0.002 0.000 0.312 292 F C -0.815 174.863 175.800 -0.202 0.000 1.113 292 F CA -1.028 56.884 58.000 -0.146 0.000 0.951 292 F CB 1.386 40.338 39.000 -0.080 0.000 1.344 292 F HN -0.010 nan 8.300 nan 0.000 0.462 293 T N 3.705 118.223 114.554 -0.061 0.000 2.767 293 T HA 0.628 4.979 4.350 0.002 0.000 0.288 293 T C -0.348 174.307 174.700 -0.074 0.000 0.963 293 T CA -0.421 61.578 62.100 -0.169 0.000 1.019 293 T CB 0.651 69.405 68.868 -0.189 0.000 0.923 293 T HN 0.722 nan 8.240 nan 0.000 0.468 294 M N 1.473 120.980 119.600 -0.154 0.000 2.518 294 M HA 0.890 5.371 4.480 0.002 0.000 0.300 294 M C -1.025 175.112 176.300 -0.273 0.000 1.175 294 M CA -1.224 54.009 55.300 -0.111 0.000 0.890 294 M CB 2.149 34.776 32.600 0.044 0.000 1.710 294 M HN 0.426 nan 8.290 nan 0.000 0.453 295 A N 2.269 124.828 122.820 -0.435 0.000 2.316 295 A HA 0.613 4.934 4.320 0.002 0.000 0.324 295 A C -0.841 176.504 177.584 -0.398 0.000 1.375 295 A CA -0.538 51.034 52.037 -0.774 0.000 0.882 295 A CB 0.317 18.104 19.000 -2.022 0.000 1.152 295 A HN 0.907 nan 8.150 nan 0.000 0.512 296 E N 1.896 121.994 120.200 -0.169 0.000 2.179 296 E HA 0.550 4.901 4.350 0.002 0.000 0.275 296 E C -0.989 175.644 176.600 0.055 0.000 0.945 296 E CA -0.412 55.984 56.400 -0.007 0.000 0.792 296 E CB 2.029 31.691 29.700 -0.064 0.000 1.125 296 E HN 0.648 nan 8.360 nan 0.000 0.397 297 I N 2.334 122.962 120.570 0.097 0.000 2.433 297 I HA 0.212 4.384 4.170 0.002 0.000 0.292 297 I C -0.272 175.780 176.117 -0.108 0.000 1.001 297 I CA -0.726 60.610 61.300 0.060 0.000 1.119 297 I CB 1.524 39.602 38.000 0.131 0.000 1.289 297 I HN 0.263 nan 8.210 nan 0.000 0.438 298 E N 5.141 125.229 120.200 -0.187 0.000 2.256 298 E HA 0.167 4.518 4.350 0.002 0.000 0.243 298 E C -0.743 175.526 176.600 -0.553 0.000 0.925 298 E CA -0.390 55.752 56.400 -0.429 0.000 0.748 298 E CB 0.815 30.177 29.700 -0.564 0.000 1.206 298 E HN 0.403 nan 8.360 nan 0.000 0.428 299 H N 4.262 123.026 119.070 -0.510 0.000 2.969 299 H HA 0.163 4.720 4.556 0.002 0.000 0.269 299 H C -0.823 174.278 175.328 -0.379 0.000 1.223 299 H CA -0.459 55.380 56.048 -0.348 0.000 1.400 299 H CB -0.329 29.296 29.762 -0.228 0.000 1.500 299 H HN 0.187 nan 8.280 nan 0.000 0.486 300 F N 4.477 124.190 119.950 -0.395 0.000 2.472 300 F HA 0.203 4.732 4.527 0.002 0.000 0.364 300 F C 0.528 176.230 175.800 -0.163 0.000 1.090 300 F CA -0.080 57.771 58.000 -0.250 0.000 1.188 300 F CB 0.780 39.548 39.000 -0.387 0.000 1.105 300 F HN 0.182 nan 8.300 nan 0.000 0.536 301 V N 2.859 122.900 119.914 0.210 0.000 3.078 301 V HA 0.370 4.491 4.120 0.002 0.000 0.311 301 V C -1.201 175.010 176.094 0.195 0.000 1.138 301 V CA -0.868 61.560 62.300 0.214 0.000 1.007 301 V CB 2.307 34.312 31.823 0.302 0.000 1.045 301 V HN 0.667 nan 8.190 nan 0.000 0.432 302 D N 5.721 126.221 120.400 0.167 0.000 2.371 302 D HA 0.309 4.950 4.640 0.002 0.000 0.256 302 D C -1.193 175.175 176.300 0.114 0.000 1.193 302 D CA -1.425 52.657 54.000 0.136 0.000 0.881 302 D CB 1.679 42.548 40.800 0.116 0.000 1.143 302 D HN 0.382 nan 8.370 nan 0.000 0.473 303 P HA -0.230 nan 4.420 nan 0.000 0.218 303 P C 0.722 178.063 177.300 0.068 0.000 1.146 303 P CA 1.189 64.338 63.100 0.082 0.000 0.820 303 P CB 0.079 31.822 31.700 0.071 0.000 0.778 304 S N -2.016 113.723 115.700 0.065 0.000 2.524 304 S HA 0.095 4.566 4.470 0.002 0.000 0.216 304 S C 1.189 175.819 174.600 0.051 0.000 0.987 304 S CA 0.016 58.247 58.200 0.052 0.000 0.909 304 S CB -0.274 62.954 63.200 0.047 0.000 0.781 304 S HN 0.020 nan 8.310 nan 0.000 0.521 305 E N 1.355 121.594 120.200 0.065 0.000 2.609 305 E HA 0.233 4.584 4.350 0.002 0.000 0.208 305 E C -0.686 175.956 176.600 0.070 0.000 1.013 305 E CA -0.117 56.320 56.400 0.061 0.000 1.093 305 E CB 0.284 30.024 29.700 0.067 0.000 1.129 305 E HN 0.497 nan 8.360 nan 0.000 0.450 306 K N 1.635 122.076 120.400 0.067 0.000 2.620 306 K HA -0.003 4.319 4.320 0.002 0.000 0.234 306 K C -0.680 175.947 176.600 0.046 0.000 1.194 306 K CA 0.354 56.685 56.287 0.073 0.000 1.186 306 K CB -0.280 32.255 32.500 0.058 0.000 1.270 306 K HN -0.011 nan 8.250 nan 0.000 0.235 307 D N 0.009 120.441 120.400 0.053 0.000 2.602 307 D HA 0.056 4.697 4.640 0.002 0.000 0.245 307 D C -1.277 175.055 176.300 0.053 0.000 1.325 307 D CA -0.526 53.492 54.000 0.030 0.000 0.952 307 D CB 0.701 41.507 40.800 0.011 0.000 1.317 307 D HN 0.209 nan 8.370 nan 0.000 0.577 308 H N 3.885 122.946 119.070 -0.015 0.000 2.668 308 H HA 0.240 4.797 4.556 0.002 0.000 0.303 308 H C -1.799 173.474 175.328 -0.093 0.000 1.074 308 H CA -1.837 54.179 56.048 -0.054 0.000 1.406 308 H CB 1.581 31.280 29.762 -0.105 0.000 1.442 308 H HN 0.234 nan 8.280 nan 0.000 0.482 309 P HA -0.044 nan 4.420 nan 0.000 0.234 309 P C 0.339 177.648 177.300 0.015 0.000 1.162 309 P CA 1.159 64.246 63.100 -0.023 0.000 0.759 309 P CB 0.273 31.911 31.700 -0.104 0.000 0.813 310 K N -3.135 117.304 120.400 0.064 0.000 2.440 310 K HA 0.143 4.464 4.320 0.002 0.000 0.207 310 K C 1.226 177.727 176.600 -0.165 0.000 1.112 310 K CA -0.290 55.872 56.287 -0.208 0.000 1.036 310 K CB -0.184 31.969 32.500 -0.580 0.000 0.935 310 K HN -0.032 nan 8.250 nan 0.000 0.564 311 F N 3.031 122.871 119.950 -0.183 0.000 2.176 311 F HA -0.325 4.203 4.527 0.002 0.000 0.301 311 F C 2.134 177.940 175.800 0.010 0.000 1.071 311 F CA 1.799 59.796 58.000 -0.005 0.000 1.289 311 F CB 0.050 39.050 39.000 0.002 0.000 1.028 311 F HN 0.019 nan 8.300 nan 0.000 0.494 312 Q N 0.560 120.270 119.800 -0.149 0.000 2.224 312 Q HA -0.141 4.200 4.340 0.002 0.000 0.203 312 Q C 1.745 177.613 176.000 -0.221 0.000 0.970 312 Q CA 1.863 57.527 55.803 -0.231 0.000 0.865 312 Q CB -0.641 28.051 28.738 -0.077 0.000 0.922 312 Q HN 0.628 nan 8.270 nan 0.000 0.445 313 N N -1.142 117.480 118.700 -0.130 0.000 2.453 313 N HA -0.087 4.654 4.740 0.002 0.000 0.183 313 N C 0.420 175.855 175.510 -0.125 0.000 1.041 313 N CA 0.944 53.942 53.050 -0.085 0.000 0.900 313 N CB 0.389 38.872 38.487 -0.007 0.000 0.961 313 N HN 0.199 nan 8.380 nan 0.000 0.443 314 V N -4.241 115.541 119.914 -0.219 0.000 3.017 314 V HA 0.567 4.688 4.120 0.002 0.000 0.354 314 V C 0.875 176.693 176.094 -0.461 0.000 1.389 314 V CA -0.323 61.819 62.300 -0.264 0.000 1.163 314 V CB 0.205 31.900 31.823 -0.214 0.000 1.178 314 V HN 0.005 nan 8.190 nan 0.000 0.547 315 A N -0.159 122.316 122.820 -0.576 0.000 1.935 315 A HA 0.060 4.381 4.320 0.002 0.000 0.214 315 A C 1.676 179.022 177.584 -0.396 0.000 1.178 315 A CA 1.427 53.063 52.037 -0.669 0.000 0.640 315 A CB -0.273 18.326 19.000 -0.668 0.000 0.825 315 A HN 0.472 nan 8.150 nan 0.000 0.447 316 D N 0.118 120.322 120.400 -0.328 0.000 2.352 316 D HA 0.097 4.739 4.640 0.002 0.000 0.232 316 D C 0.095 176.103 176.300 -0.487 0.000 1.055 316 D CA 0.216 54.010 54.000 -0.343 0.000 0.891 316 D CB -0.055 40.611 40.800 -0.223 0.000 0.897 316 D HN 0.359 nan 8.370 nan 0.000 0.529 317 L N 1.362 122.344 121.223 -0.401 0.000 2.410 317 L HA 0.074 4.415 4.340 0.002 0.000 0.273 317 L C 0.460 177.043 176.870 -0.479 0.000 1.152 317 L CA 0.098 54.713 54.840 -0.374 0.000 0.855 317 L CB 0.620 42.514 42.059 -0.275 0.000 1.129 317 L HN -0.055 nan 8.230 nan 0.000 0.463 318 H N 5.188 124.139 119.070 -0.198 0.000 2.581 318 H HA 0.526 5.083 4.556 0.002 0.000 0.308 318 H C -0.735 174.441 175.328 -0.253 0.000 1.040 318 H CA -0.609 55.327 56.048 -0.186 0.000 1.231 318 H CB 1.261 30.959 29.762 -0.107 0.000 1.396 318 H HN 0.272 nan 8.280 nan 0.000 0.467 319 L N 0.414 121.552 121.223 -0.141 0.000 2.434 319 L HA 0.380 4.721 4.340 0.002 0.000 0.260 319 L C -0.948 175.983 176.870 0.102 0.000 0.983 319 L CA -1.363 53.436 54.840 -0.069 0.000 0.820 319 L CB 0.338 42.183 42.059 -0.356 0.000 1.361 319 L HN 0.128 nan 8.230 nan 0.000 0.410 320 Y N 2.630 123.006 120.300 0.127 0.000 2.713 320 Y HA 0.400 4.951 4.550 0.002 0.000 0.341 320 Y C 0.151 176.192 175.900 0.235 0.000 1.167 320 Y CA 0.126 58.322 58.100 0.160 0.000 1.503 320 Y CB -0.007 38.550 38.460 0.161 0.000 1.199 320 Y HN 0.423 nan 8.280 nan 0.000 0.525 321 L N 4.380 125.783 121.223 0.301 0.000 2.322 321 L HA 0.303 4.644 4.340 0.002 0.000 0.279 321 L C -0.769 176.374 176.870 0.456 0.000 1.036 321 L CA -1.021 54.056 54.840 0.396 0.000 0.807 321 L CB 1.232 43.436 42.059 0.242 0.000 1.226 321 L HN 0.498 nan 8.230 nan 0.000 0.433 322 Y N 2.882 123.385 120.300 0.338 0.000 2.658 322 Y HA 0.223 4.774 4.550 0.002 0.000 0.362 322 Y C 0.596 176.529 175.900 0.054 0.000 1.017 322 Y CA -1.327 56.853 58.100 0.134 0.000 1.134 322 Y CB 0.511 38.976 38.460 0.009 0.000 1.144 322 Y HN 0.691 nan 8.280 nan 0.000 0.655 323 S N 1.177 116.899 115.700 0.037 0.000 2.553 323 S HA 0.094 4.565 4.470 0.002 0.000 0.271 323 S C 1.518 175.887 174.600 -0.384 0.000 1.362 323 S CA 0.133 58.257 58.200 -0.127 0.000 1.010 323 S CB 0.879 64.100 63.200 0.034 0.000 0.865 323 S HN 0.751 nan 8.310 nan 0.000 0.543 324 A N 1.550 124.164 122.820 -0.343 0.000 1.968 324 A HA -0.008 4.313 4.320 0.002 0.000 0.217 324 A C 2.197 179.634 177.584 -0.245 0.000 1.169 324 A CA 1.278 53.127 52.037 -0.313 0.000 0.638 324 A CB -0.637 18.219 19.000 -0.240 0.000 0.812 324 A HN 0.891 nan 8.150 nan 0.000 0.446 325 K N -0.096 120.200 120.400 -0.174 0.000 1.985 325 K HA -0.063 4.258 4.320 0.002 0.000 0.210 325 K C 2.267 178.776 176.600 -0.151 0.000 1.047 325 K CA 1.225 57.440 56.287 -0.120 0.000 0.932 325 K CB -0.418 32.046 32.500 -0.061 0.000 0.716 325 K HN 0.378 nan 8.250 nan 0.000 0.439 326 A N 1.563 124.275 122.820 -0.181 0.000 2.093 326 A HA -0.269 4.052 4.320 0.002 0.000 0.222 326 A C 1.943 179.361 177.584 -0.277 0.000 1.162 326 A CA 1.609 53.539 52.037 -0.178 0.000 0.655 326 A CB -0.501 18.412 19.000 -0.146 0.000 0.805 326 A HN 0.391 nan 8.150 nan 0.000 0.461 327 Q N -1.125 118.411 119.800 -0.441 0.000 2.212 327 Q HA 0.003 4.344 4.340 0.002 0.000 0.199 327 Q C 1.808 177.711 176.000 -0.162 0.000 0.950 327 Q CA 1.337 56.913 55.803 -0.379 0.000 0.863 327 Q CB 0.021 28.483 28.738 -0.461 0.000 0.944 327 Q HN 0.553 nan 8.270 nan 0.000 0.465 328 V N 0.124 119.954 119.914 -0.139 0.000 2.949 328 V HA -0.061 4.060 4.120 0.002 0.000 0.245 328 V C 1.803 177.869 176.094 -0.046 0.000 1.086 328 V CA 1.268 63.522 62.300 -0.076 0.000 1.097 328 V CB 0.394 32.175 31.823 -0.071 0.000 0.762 328 V HN 0.294 nan 8.190 nan 0.000 0.470 329 S N 0.805 116.474 115.700 -0.052 0.000 2.754 329 S HA 0.215 4.686 4.470 0.002 0.000 0.223 329 S C 1.739 176.335 174.600 -0.007 0.000 0.951 329 S CA 0.498 58.684 58.200 -0.024 0.000 0.954 329 S CB -0.328 62.857 63.200 -0.024 0.000 0.780 329 S HN 1.021 nan 8.310 nan 0.000 0.509 330 G N 1.373 110.170 108.800 -0.005 0.000 2.219 330 G HA2 -0.370 3.591 3.960 0.002 0.000 0.271 330 G HA3 -0.370 3.591 3.960 0.002 0.000 0.271 330 G C 0.032 174.959 174.900 0.045 0.000 0.991 330 G CA 1.016 46.129 45.100 0.022 0.000 0.685 330 G HN 0.912 nan 8.290 nan 0.000 0.531 331 Q N -0.544 119.284 119.800 0.046 0.000 2.171 331 Q HA 0.777 5.118 4.340 0.002 0.000 0.217 331 Q C 0.263 176.353 176.000 0.151 0.000 0.995 331 Q CA -0.448 55.399 55.803 0.074 0.000 0.979 331 Q CB 0.967 29.737 28.738 0.053 0.000 1.152 331 Q HN 0.171 nan 8.270 nan 0.000 0.525 332 S N -0.321 115.466 115.700 0.145 0.000 2.681 332 S HA 0.606 5.077 4.470 0.002 0.000 0.270 332 S C -0.421 174.329 174.600 0.251 0.000 1.209 332 S CA -0.496 57.814 58.200 0.184 0.000 0.988 332 S CB 1.147 64.402 63.200 0.093 0.000 1.006 332 S HN 0.711 nan 8.310 nan 0.000 0.558 333 A N 1.100 124.056 122.820 0.227 0.000 2.388 333 A HA 0.515 4.836 4.320 0.002 0.000 0.257 333 A C -0.011 177.678 177.584 0.176 0.000 1.095 333 A CA -0.297 51.917 52.037 0.294 0.000 0.791 333 A CB 0.077 19.166 19.000 0.148 0.000 1.029 333 A HN 0.738 nan 8.150 nan 0.000 0.489 334 R N 1.010 121.592 120.500 0.136 0.000 2.532 334 R HA 0.407 4.748 4.340 0.002 0.000 0.295 334 R C -0.253 175.984 176.300 -0.106 0.000 0.968 334 R CA -0.629 55.477 56.100 0.011 0.000 0.916 334 R CB 1.552 31.866 30.300 0.023 0.000 1.124 334 R HN 0.703 nan 8.270 nan 0.000 0.463 335 K N 4.512 124.711 120.400 -0.334 0.000 2.183 335 K HA 0.175 4.497 4.320 0.002 0.000 0.272 335 K C -0.430 176.035 176.600 -0.225 0.000 1.113 335 K CA 0.056 56.030 56.287 -0.521 0.000 0.949 335 K CB 0.346 32.277 32.500 -0.947 0.000 1.365 335 K HN 0.497 nan 8.250 nan 0.000 0.420 336 M N 1.758 121.298 119.600 -0.100 0.000 2.513 336 M HA 0.388 4.869 4.480 0.002 0.000 0.250 336 M C 0.205 176.544 176.300 0.065 0.000 1.145 336 M CA -0.761 54.527 55.300 -0.020 0.000 0.948 336 M CB 0.877 33.471 32.600 -0.011 0.000 1.405 336 M HN 0.343 nan 8.290 nan 0.000 0.546 337 R N 0.398 120.939 120.500 0.069 0.000 2.437 337 R HA 0.395 4.736 4.340 0.002 0.000 0.310 337 R C 0.330 176.591 176.300 -0.065 0.000 0.955 337 R CA -0.403 55.698 56.100 0.003 0.000 0.851 337 R CB 0.963 31.290 30.300 0.045 0.000 1.161 337 R HN 0.773 nan 8.270 nan 0.000 0.446 338 L N 3.177 124.319 121.223 -0.135 0.000 2.021 338 L HA -0.215 4.126 4.340 0.002 0.000 0.215 338 L C 2.187 179.145 176.870 0.147 0.000 1.074 338 L CA 2.094 56.904 54.840 -0.049 0.000 0.760 338 L CB -0.474 41.514 42.059 -0.118 0.000 0.889 338 L HN 1.009 nan 8.230 nan 0.000 0.433 339 G N -0.337 108.495 108.800 0.054 0.000 2.446 339 G HA2 -0.292 3.669 3.960 0.002 0.000 0.217 339 G HA3 -0.292 3.669 3.960 0.002 0.000 0.217 339 G C 0.992 175.972 174.900 0.133 0.000 1.168 339 G CA 1.211 46.419 45.100 0.180 0.000 0.771 339 G HN 0.385 nan 8.290 nan 0.000 0.551 340 D N 0.823 121.257 120.400 0.056 0.000 2.219 340 D HA 0.116 4.757 4.640 0.002 0.000 0.205 340 D C 2.682 178.999 176.300 0.027 0.000 0.970 340 D CA 0.986 55.009 54.000 0.039 0.000 0.851 340 D CB -0.259 40.559 40.800 0.030 0.000 0.943 340 D HN 0.340 nan 8.370 nan 0.000 0.488 341 A N 0.430 123.260 122.820 0.018 0.000 1.877 341 A HA -0.156 4.165 4.320 0.002 0.000 0.216 341 A C 2.337 179.902 177.584 -0.031 0.000 1.186 341 A CA 1.280 53.305 52.037 -0.020 0.000 0.620 341 A CB -0.815 18.139 19.000 -0.077 0.000 0.822 341 A HN 0.163 nan 8.150 nan 0.000 0.443 342 V N 0.346 120.243 119.914 -0.030 0.000 2.515 342 V HA -0.197 3.924 4.120 0.002 0.000 0.250 342 V C 2.469 178.536 176.094 -0.045 0.000 1.058 342 V CA 1.891 64.137 62.300 -0.091 0.000 1.064 342 V CB -0.819 30.874 31.823 -0.217 0.000 0.675 342 V HN 0.489 nan 8.190 nan 0.000 0.461 343 E N 0.660 120.856 120.200 -0.007 0.000 2.007 343 E HA -0.282 4.069 4.350 0.002 0.000 0.203 343 E C 2.208 178.810 176.600 0.004 0.000 1.020 343 E CA 1.617 58.018 56.400 0.003 0.000 0.845 343 E CB -0.610 29.102 29.700 0.018 0.000 0.779 343 E HN 0.679 nan 8.360 nan 0.000 0.466 344 Q N -0.611 119.196 119.800 0.011 0.000 2.522 344 Q HA -0.068 4.273 4.340 0.002 0.000 0.216 344 Q C 1.046 177.059 176.000 0.021 0.000 0.986 344 Q CA 0.910 56.723 55.803 0.017 0.000 0.901 344 Q CB -0.121 28.631 28.738 0.022 0.000 0.954 344 Q HN 0.570 nan 8.270 nan 0.000 0.502 345 G N -0.939 107.869 108.800 0.014 0.000 2.157 345 G HA2 -0.296 3.665 3.960 0.002 0.000 0.248 345 G HA3 -0.296 3.665 3.960 0.002 0.000 0.248 345 G C 0.787 175.720 174.900 0.055 0.000 0.979 345 G CA 0.219 45.333 45.100 0.023 0.000 0.650 345 G HN 0.242 nan 8.290 nan 0.000 0.529 346 V N 0.488 120.439 119.914 0.061 0.000 2.233 346 V HA -0.029 4.092 4.120 0.002 0.000 0.247 346 V C 1.811 178.014 176.094 0.182 0.000 1.050 346 V CA 2.085 64.469 62.300 0.140 0.000 1.010 346 V CB -0.283 31.606 31.823 0.110 0.000 0.637 346 V HN 0.504 nan 8.190 nan 0.000 0.444 347 I N 1.209 121.763 120.570 -0.027 0.000 2.291 347 I HA 0.153 4.324 4.170 0.002 0.000 0.290 347 I C 1.318 177.398 176.117 -0.062 0.000 1.050 347 I CA 0.136 61.344 61.300 -0.153 0.000 1.245 347 I CB 0.286 38.040 38.000 -0.409 0.000 1.405 347 I HN 0.277 nan 8.210 nan 0.000 0.478 348 N N 5.497 124.224 118.700 0.045 0.000 2.009 348 N HA -0.313 4.428 4.740 0.002 0.000 0.166 348 N C 0.648 176.134 175.510 -0.040 0.000 0.837 348 N CA 2.545 55.613 53.050 0.029 0.000 0.866 348 N CB 0.077 38.606 38.487 0.070 0.000 0.972 348 N HN 0.837 nan 8.380 nan 0.000 0.987 349 N N -2.312 116.354 118.700 -0.056 0.000 2.681 349 N HA 0.177 4.918 4.740 0.002 0.000 0.311 349 N C 0.511 175.889 175.510 -0.221 0.000 1.303 349 N CA 0.178 53.166 53.050 -0.103 0.000 0.926 349 N CB 0.390 38.854 38.487 -0.038 0.000 1.136 349 N HN 0.279 nan 8.380 nan 0.000 0.592 350 T N -4.080 110.316 114.554 -0.263 0.000 3.022 350 T HA 0.138 4.490 4.350 0.002 0.000 0.250 350 T C 1.467 176.096 174.700 -0.119 0.000 1.060 350 T CA -0.029 61.778 62.100 -0.488 0.000 1.013 350 T CB -0.463 68.020 68.868 -0.642 0.000 0.982 350 T HN 0.175 nan 8.240 nan 0.000 0.508 351 V N 1.643 121.580 119.914 0.038 0.000 2.270 351 V HA -0.034 4.087 4.120 0.002 0.000 0.245 351 V C 2.489 178.737 176.094 0.257 0.000 1.043 351 V CA 1.542 63.971 62.300 0.215 0.000 1.014 351 V CB -0.737 31.197 31.823 0.184 0.000 0.645 351 V HN 0.408 nan 8.190 nan 0.000 0.447 352 L N 1.255 122.553 121.223 0.125 0.000 2.079 352 L HA -0.075 4.266 4.340 0.002 0.000 0.210 352 L C 2.263 179.170 176.870 0.062 0.000 1.081 352 L CA 2.429 57.330 54.840 0.102 0.000 0.752 352 L CB -1.147 40.926 42.059 0.024 0.000 0.896 352 L HN 0.289 nan 8.230 nan 0.000 0.433 353 G N -1.790 106.998 108.800 -0.019 0.000 2.402 353 G HA2 -0.361 3.600 3.960 0.002 0.000 0.216 353 G HA3 -0.361 3.600 3.960 0.002 0.000 0.216 353 G C 1.508 176.526 174.900 0.197 0.000 1.162 353 G CA 0.865 45.965 45.100 0.000 0.000 0.777 353 G HN 0.508 nan 8.290 nan 0.000 0.539 354 Y N 1.030 121.400 120.300 0.117 0.000 2.097 354 Y HA -0.114 4.437 4.550 0.002 0.000 0.282 354 Y C 2.428 178.235 175.900 -0.155 0.000 1.152 354 Y CA 1.504 59.562 58.100 -0.070 0.000 1.136 354 Y CB -0.631 37.538 38.460 -0.486 0.000 0.975 354 Y HN 0.179 nan 8.280 nan 0.000 0.498 355 F N -0.162 119.718 119.950 -0.116 0.000 2.216 355 F HA -0.231 4.297 4.527 0.002 0.000 0.300 355 F C 2.409 178.219 175.800 0.017 0.000 1.085 355 F CA 1.480 59.438 58.000 -0.069 0.000 1.326 355 F CB -0.565 38.485 39.000 0.083 0.000 1.027 355 F HN 0.063 nan 8.300 nan 0.000 0.497 356 I N -0.461 120.184 120.570 0.126 0.000 2.286 356 I HA -0.239 3.932 4.170 0.002 0.000 0.248 356 I C 2.685 178.736 176.117 -0.109 0.000 1.115 356 I CA 1.477 62.767 61.300 -0.018 0.000 1.392 356 I CB -1.033 36.789 38.000 -0.298 0.000 1.065 356 I HN 0.208 nan 8.210 nan 0.000 0.418 357 G N 0.440 109.162 108.800 -0.129 0.000 2.394 357 G HA2 -0.158 3.803 3.960 0.002 0.000 0.214 357 G HA3 -0.158 3.803 3.960 0.002 0.000 0.214 357 G C 1.792 176.706 174.900 0.022 0.000 1.176 357 G CA 0.082 45.120 45.100 -0.103 0.000 0.786 357 G HN 0.177 nan 8.290 nan 0.000 0.533 358 R N 0.109 120.530 120.500 -0.132 0.000 2.096 358 R HA 0.027 4.368 4.340 0.002 0.000 0.235 358 R C 2.556 179.080 176.300 0.374 0.000 1.127 358 R CA 0.861 56.949 56.100 -0.020 0.000 0.968 358 R CB -0.577 29.494 30.300 -0.381 0.000 0.861 358 R HN 0.416 nan 8.270 nan 0.000 0.440 359 I N -0.191 120.685 120.570 0.510 0.000 2.286 359 I HA -0.311 3.860 4.170 0.002 0.000 0.248 359 I C 2.390 178.862 176.117 0.592 0.000 1.115 359 I CA 1.225 62.949 61.300 0.707 0.000 1.392 359 I CB -0.399 37.988 38.000 0.645 0.000 1.065 359 I HN 0.101 nan 8.210 nan 0.000 0.418 360 Y N 1.812 122.380 120.300 0.445 0.000 2.145 360 Y HA -0.224 4.327 4.550 0.002 0.000 0.286 360 Y C 2.290 178.332 175.900 0.237 0.000 1.145 360 Y CA 1.595 59.929 58.100 0.390 0.000 1.148 360 Y CB -0.306 38.301 38.460 0.246 0.000 0.981 360 Y HN -0.004 nan 8.280 nan 0.000 0.507 361 L N -1.171 120.147 121.223 0.159 0.000 2.017 361 L HA -0.254 4.088 4.340 0.002 0.000 0.208 361 L C 2.361 179.181 176.870 -0.083 0.000 1.073 361 L CA 1.883 56.750 54.840 0.046 0.000 0.745 361 L CB -1.131 41.067 42.059 0.231 0.000 0.894 361 L HN 0.308 nan 8.230 nan 0.000 0.432 362 Y N 1.156 121.255 120.300 -0.334 0.000 2.049 362 Y HA -0.287 4.264 4.550 0.002 0.000 0.277 362 Y C 2.450 178.272 175.900 -0.129 0.000 1.143 362 Y CA 1.623 59.432 58.100 -0.484 0.000 1.115 362 Y CB -0.614 37.666 38.460 -0.301 0.000 0.975 362 Y HN -0.053 nan 8.280 nan 0.000 0.487 363 L N -0.661 120.479 121.223 -0.138 0.000 2.021 363 L HA -0.349 3.992 4.340 0.002 0.000 0.215 363 L C 2.339 179.049 176.870 -0.268 0.000 1.074 363 L CA 2.120 56.829 54.840 -0.219 0.000 0.760 363 L CB -1.274 40.784 42.059 -0.003 0.000 0.889 363 L HN 0.293 nan 8.230 nan 0.000 0.433 364 T N -0.635 113.748 114.554 -0.285 0.000 2.652 364 T HA -0.268 4.083 4.350 0.002 0.000 0.267 364 T C 1.892 176.482 174.700 -0.184 0.000 1.039 364 T CA 1.763 63.706 62.100 -0.261 0.000 1.153 364 T CB -0.210 68.423 68.868 -0.392 0.000 0.863 364 T HN 0.266 nan 8.240 nan 0.000 0.428 365 K N 0.829 121.116 120.400 -0.190 0.000 2.281 365 K HA -0.077 4.244 4.320 0.002 0.000 0.203 365 K C 1.728 178.229 176.600 -0.165 0.000 1.046 365 K CA 0.910 57.119 56.287 -0.130 0.000 0.938 365 K CB -0.095 32.357 32.500 -0.081 0.000 0.737 365 K HN 0.202 nan 8.250 nan 0.000 0.458 366 V N -0.847 118.892 119.914 -0.292 0.000 3.506 366 V HA 0.170 4.291 4.120 0.002 0.000 0.263 366 V C 1.297 177.278 176.094 -0.189 0.000 1.203 366 V CA 0.892 63.015 62.300 -0.295 0.000 1.133 366 V CB 0.635 32.149 31.823 -0.515 0.000 0.802 366 V HN 0.631 nan 8.190 nan 0.000 0.459 367 G N -0.119 108.605 108.800 -0.126 0.000 2.370 367 G HA2 -0.111 3.850 3.960 0.002 0.000 0.174 367 G HA3 -0.111 3.850 3.960 0.002 0.000 0.174 367 G C -0.046 174.861 174.900 0.012 0.000 1.002 367 G CA -0.536 44.546 45.100 -0.029 0.000 0.730 367 G HN 0.216 nan 8.290 nan 0.000 0.497 368 I N 2.274 122.831 120.570 -0.022 0.000 2.575 368 I HA 0.386 4.557 4.170 0.002 0.000 0.285 368 I C 0.643 176.833 176.117 0.123 0.000 1.085 368 I CA -0.066 61.301 61.300 0.112 0.000 1.403 368 I CB 1.110 39.124 38.000 0.024 0.000 1.409 368 I HN 0.039 nan 8.210 nan 0.000 0.557 369 S N 8.012 123.824 115.700 0.187 0.000 2.465 369 S HA 0.232 4.703 4.470 0.002 0.000 0.279 369 S C -1.495 173.101 174.600 -0.007 0.000 1.201 369 S CA -0.946 57.229 58.200 -0.040 0.000 1.053 369 S CB 1.282 64.313 63.200 -0.281 0.000 0.953 369 S HN 0.439 nan 8.310 nan 0.000 0.488 370 P HA -0.186 nan 4.420 nan 0.000 0.216 370 P C 1.132 178.488 177.300 0.093 0.000 1.153 370 P CA 1.063 64.284 63.100 0.202 0.000 0.858 370 P CB -0.007 31.861 31.700 0.280 0.000 0.789 371 D N -0.481 119.916 120.400 -0.005 0.000 2.392 371 D HA -0.140 4.501 4.640 0.002 0.000 0.228 371 D C 0.577 176.770 176.300 -0.178 0.000 1.003 371 D CA 0.880 54.816 54.000 -0.106 0.000 0.917 371 D CB -0.358 40.404 40.800 -0.063 0.000 0.890 371 D HN 0.281 nan 8.370 nan 0.000 0.532 372 K N -0.302 120.006 120.400 -0.154 0.000 2.644 372 K HA 0.227 4.549 4.320 0.002 0.000 0.198 372 K C -0.665 175.945 176.600 0.017 0.000 1.113 372 K CA -0.489 55.678 56.287 -0.199 0.000 1.073 372 K CB 1.112 33.331 32.500 -0.468 0.000 0.811 372 K HN -0.047 nan 8.250 nan 0.000 0.508 373 L N 1.883 123.202 121.223 0.160 0.000 2.406 373 L HA 0.484 4.825 4.340 0.002 0.000 0.272 373 L C -0.974 176.123 176.870 0.377 0.000 0.980 373 L CA -0.448 54.567 54.840 0.292 0.000 0.831 373 L CB 1.062 43.295 42.059 0.291 0.000 1.253 373 L HN 0.205 nan 8.230 nan 0.000 0.406 374 R N 2.823 123.550 120.500 0.379 0.000 2.855 374 R HA 0.683 5.024 4.340 0.002 0.000 0.266 374 R C -1.781 174.657 176.300 0.230 0.000 1.034 374 R CA -0.731 55.583 56.100 0.356 0.000 0.944 374 R CB 1.303 31.657 30.300 0.090 0.000 1.219 374 R HN 0.367 nan 8.270 nan 0.000 0.474 375 F N 0.945 121.079 119.950 0.307 0.000 2.430 375 F HA 0.462 4.990 4.527 0.002 0.000 0.362 375 F C 0.250 176.336 175.800 0.476 0.000 1.103 375 F CA -0.656 57.576 58.000 0.387 0.000 1.045 375 F CB 1.618 40.854 39.000 0.393 0.000 1.276 375 F HN 0.373 nan 8.300 nan 0.000 0.444 376 R N 3.331 124.062 120.500 0.385 0.000 2.254 376 R HA 0.291 4.632 4.340 0.002 0.000 0.318 376 R C -0.084 176.190 176.300 -0.044 0.000 1.031 376 R CA -0.402 55.841 56.100 0.238 0.000 0.905 376 R CB 0.973 31.403 30.300 0.216 0.000 1.050 376 R HN 0.741 nan 8.270 nan 0.000 0.456 377 Q N 2.540 122.008 119.800 -0.553 0.000 2.317 377 Q HA 0.094 4.435 4.340 0.002 0.000 0.229 377 Q C -0.638 175.127 176.000 -0.392 0.000 0.984 377 Q CA -0.331 54.840 55.803 -1.054 0.000 0.911 377 Q CB 0.810 28.505 28.738 -1.738 0.000 1.217 377 Q HN 0.685 nan 8.270 nan 0.000 0.501 378 H N 0.731 119.527 119.070 -0.456 0.000 2.544 378 H HA 0.224 4.782 4.556 0.002 0.000 0.365 378 H C -0.018 175.159 175.328 -0.252 0.000 1.268 378 H CA -1.006 54.878 56.048 -0.273 0.000 1.400 378 H CB 0.843 30.485 29.762 -0.199 0.000 1.538 378 H HN 0.474 nan 8.280 nan 0.000 0.597 379 M N 0.810 120.355 119.600 -0.092 0.000 2.368 379 M HA 0.038 4.519 4.480 0.002 0.000 0.311 379 M C 1.569 177.820 176.300 -0.081 0.000 1.168 379 M CA 0.032 55.261 55.300 -0.118 0.000 1.044 379 M CB 1.065 33.579 32.600 -0.143 0.000 1.506 379 M HN 0.769 nan 8.290 nan 0.000 0.475 380 E N 1.811 121.969 120.200 -0.070 0.000 2.048 380 E HA -0.257 4.095 4.350 0.002 0.000 0.202 380 E C 0.789 177.366 176.600 -0.039 0.000 1.021 380 E CA 2.250 58.623 56.400 -0.044 0.000 0.825 380 E CB -0.004 29.676 29.700 -0.032 0.000 0.756 380 E HN 0.807 nan 8.360 nan 0.000 0.454 381 N N -0.990 117.683 118.700 -0.046 0.000 2.321 381 N HA 0.020 4.761 4.740 0.002 0.000 0.242 381 N C 1.151 176.616 175.510 -0.075 0.000 1.141 381 N CA -0.126 52.899 53.050 -0.042 0.000 0.864 381 N CB 0.569 39.048 38.487 -0.014 0.000 1.100 381 N HN 0.115 nan 8.380 nan 0.000 0.510 382 E N 0.370 120.501 120.200 -0.115 0.000 2.340 382 E HA 0.067 4.418 4.350 0.002 0.000 0.194 382 E C 0.023 176.495 176.600 -0.214 0.000 0.996 382 E CA -0.157 56.123 56.400 -0.201 0.000 0.869 382 E CB 0.263 29.786 29.700 -0.295 0.000 0.835 382 E HN 0.276 nan 8.360 nan 0.000 0.493 383 M N 1.528 121.067 119.600 -0.101 0.000 2.226 383 M HA -0.068 4.413 4.480 0.002 0.000 0.352 383 M C 0.238 176.436 176.300 -0.170 0.000 1.226 383 M CA 0.219 55.492 55.300 -0.046 0.000 0.943 383 M CB 0.463 33.044 32.600 -0.031 0.000 1.805 383 M HN 0.089 nan 8.290 nan 0.000 0.465 384 A N 3.143 125.801 122.820 -0.270 0.000 2.387 384 A HA 0.136 4.457 4.320 0.002 0.000 0.251 384 A C 0.776 177.999 177.584 -0.601 0.000 1.113 384 A CA 0.366 52.046 52.037 -0.596 0.000 0.794 384 A CB -0.241 18.060 19.000 -1.166 0.000 1.069 384 A HN 1.043 nan 8.150 nan 0.000 0.506 385 H N -1.992 116.721 119.070 -0.596 0.000 2.563 385 H HA 0.064 4.621 4.556 0.002 0.000 0.272 385 H C 0.234 175.248 175.328 -0.525 0.000 1.005 385 H CA 1.648 57.455 56.048 -0.402 0.000 1.171 385 H CB -0.532 29.060 29.762 -0.284 0.000 1.351 385 H HN 0.737 nan 8.280 nan 0.000 0.602 386 Y N -2.125 117.764 120.300 -0.685 0.000 2.610 386 Y HA 0.742 5.293 4.550 0.002 0.000 0.254 386 Y C 0.426 176.008 175.900 -0.530 0.000 1.110 386 Y CA -1.335 56.186 58.100 -0.966 0.000 1.238 386 Y CB -0.422 37.550 38.460 -0.812 0.000 1.322 386 Y HN 0.340 nan 8.280 nan 0.000 0.547 387 A N 0.217 122.960 122.820 -0.127 0.000 2.346 387 A HA 0.675 4.997 4.320 0.002 0.000 0.313 387 A C 0.779 178.358 177.584 -0.007 0.000 1.140 387 A CA 0.002 52.051 52.037 0.021 0.000 0.826 387 A CB 0.646 19.692 19.000 0.076 0.000 1.332 387 A HN 0.757 nan 8.150 nan 0.000 0.457 388 C N -1.918 117.399 119.300 0.028 0.000 3.294 388 C HA 0.592 5.053 4.460 0.002 0.000 0.441 388 C C 0.165 175.169 174.990 0.024 0.000 1.364 388 C CA 0.545 59.581 59.018 0.029 0.000 2.059 388 C CB -0.597 27.171 27.740 0.047 0.000 2.925 388 C HN 0.864 nan 8.230 nan 0.000 0.633 389 D N -0.696 119.720 120.400 0.027 0.000 2.753 389 D HA 0.614 5.255 4.640 0.002 0.000 0.224 389 D C -1.357 174.935 176.300 -0.012 0.000 1.213 389 D CA 0.023 54.032 54.000 0.016 0.000 0.833 389 D CB 2.020 42.862 40.800 0.071 0.000 1.607 389 D HN 0.585 nan 8.370 nan 0.000 0.463 390 C N 3.096 122.321 119.300 -0.125 0.000 3.307 390 C HA 0.817 5.278 4.460 0.002 0.000 0.333 390 C C -2.065 172.715 174.990 -0.350 0.000 1.291 390 C CA -0.575 58.311 59.018 -0.219 0.000 1.273 390 C CB 0.321 27.747 27.740 -0.524 0.000 1.580 390 C HN 0.691 nan 8.230 nan 0.000 0.481 391 W N 2.614 123.801 121.300 -0.187 0.000 2.957 391 W HA 0.539 5.200 4.660 0.002 0.000 0.336 391 W C -1.115 175.410 176.519 0.010 0.000 1.087 391 W CA 0.047 57.376 57.345 -0.026 0.000 1.235 391 W CB 1.581 31.113 29.460 0.120 0.000 1.399 391 W HN 0.578 nan 8.180 nan 0.000 0.480 392 D N 1.611 122.147 120.400 0.227 0.000 2.350 392 D HA 0.580 5.221 4.640 0.002 0.000 0.245 392 D C -0.681 175.613 176.300 -0.010 0.000 1.036 392 D CA -0.577 53.491 54.000 0.113 0.000 0.848 392 D CB 1.953 42.816 40.800 0.105 0.000 1.307 392 D HN 0.347 nan 8.370 nan 0.000 0.469 393 A N 2.379 125.062 122.820 -0.229 0.000 2.279 393 A HA 0.412 4.734 4.320 0.002 0.000 0.306 393 A C -0.021 177.435 177.584 -0.214 0.000 1.300 393 A CA -0.429 51.245 52.037 -0.605 0.000 0.925 393 A CB 0.156 18.784 19.000 -0.620 0.000 1.152 393 A HN 0.448 nan 8.150 nan 0.000 0.544 394 E N 1.646 121.801 120.200 -0.075 0.000 2.195 394 E HA 0.513 4.864 4.350 0.002 0.000 0.271 394 E C -0.532 176.216 176.600 0.247 0.000 0.923 394 E CA -0.686 55.800 56.400 0.142 0.000 0.790 394 E CB 1.843 31.716 29.700 0.288 0.000 1.155 394 E HN 0.649 nan 8.360 nan 0.000 0.402 395 S N 2.168 117.950 115.700 0.136 0.000 2.454 395 S HA 0.308 4.780 4.470 0.002 0.000 0.306 395 S C -0.184 174.284 174.600 -0.220 0.000 1.100 395 S CA -1.091 57.123 58.200 0.023 0.000 1.087 395 S CB 1.518 64.685 63.200 -0.055 0.000 1.019 395 S HN 0.273 nan 8.310 nan 0.000 0.480 396 K N 3.305 123.350 120.400 -0.590 0.000 2.315 396 K HA 0.222 4.543 4.320 0.002 0.000 0.291 396 K C 0.354 176.760 176.600 -0.324 0.000 1.074 396 K CA 0.226 55.911 56.287 -1.003 0.000 0.936 396 K CB -0.073 31.639 32.500 -1.313 0.000 1.049 396 K HN 0.985 nan 8.250 nan 0.000 0.471 397 T N -1.136 113.279 114.554 -0.232 0.000 2.804 397 T HA 0.190 4.541 4.350 0.002 0.000 0.272 397 T C 1.271 175.950 174.700 -0.036 0.000 0.986 397 T CA -0.232 61.849 62.100 -0.032 0.000 0.999 397 T CB 0.810 69.751 68.868 0.122 0.000 1.307 397 T HN 0.293 nan 8.240 nan 0.000 0.586 398 S N -1.014 114.705 115.700 0.032 0.000 2.555 398 S HA 0.002 4.473 4.470 0.002 0.000 0.230 398 S C 0.561 175.015 174.600 -0.245 0.000 0.978 398 S CA 0.102 58.223 58.200 -0.133 0.000 0.934 398 S CB -0.883 62.195 63.200 -0.204 0.000 0.766 398 S HN 0.692 nan 8.310 nan 0.000 0.533 399 Y N 2.066 122.339 120.300 -0.046 0.000 2.607 399 Y HA 0.501 5.052 4.550 0.002 0.000 0.266 399 Y C 1.615 177.472 175.900 -0.072 0.000 1.178 399 Y CA -0.250 57.815 58.100 -0.058 0.000 1.226 399 Y CB 0.112 38.535 38.460 -0.061 0.000 1.144 399 Y HN 0.478 nan 8.280 nan 0.000 0.528 400 G N -0.195 108.608 108.800 0.005 0.000 2.527 400 G HA2 -0.276 3.685 3.960 0.002 0.000 0.227 400 G HA3 -0.276 3.685 3.960 0.002 0.000 0.227 400 G C -0.951 173.882 174.900 -0.112 0.000 1.291 400 G CA -0.862 44.210 45.100 -0.047 0.000 0.904 400 G HN 0.203 nan 8.290 nan 0.000 0.577 401 W N 1.118 122.422 121.300 0.007 0.000 2.322 401 W HA 0.632 5.294 4.660 0.002 0.000 0.307 401 W C 0.954 177.470 176.519 -0.004 0.000 1.220 401 W CA 0.083 57.428 57.345 -0.001 0.000 1.210 401 W CB 0.576 30.021 29.460 -0.025 0.000 1.223 401 W HN 0.588 nan 8.180 nan 0.000 0.511 402 I N -0.190 120.481 120.570 0.168 0.000 2.647 402 I HA 0.431 4.602 4.170 0.002 0.000 0.295 402 I C -0.356 175.798 176.117 0.061 0.000 1.078 402 I CA -1.434 59.913 61.300 0.079 0.000 1.048 402 I CB 2.071 40.068 38.000 -0.005 0.000 1.239 402 I HN 0.385 nan 8.210 nan 0.000 0.421 403 E N 5.759 125.980 120.200 0.035 0.000 2.265 403 E HA 0.173 4.524 4.350 0.002 0.000 0.272 403 E C 0.334 176.910 176.600 -0.039 0.000 1.067 403 E CA -0.269 56.137 56.400 0.011 0.000 0.900 403 E CB 0.888 30.604 29.700 0.026 0.000 1.017 403 E HN 0.832 nan 8.360 nan 0.000 0.431 404 I N 1.643 122.180 120.570 -0.054 0.000 3.339 404 I HA 0.193 4.364 4.170 0.002 0.000 0.285 404 I C -0.187 175.872 176.117 -0.096 0.000 1.201 404 I CA -0.267 60.989 61.300 -0.072 0.000 1.434 404 I CB 0.678 38.642 38.000 -0.059 0.000 1.152 404 I HN 0.131 nan 8.210 nan 0.000 0.443 405 V N 2.000 121.831 119.914 -0.139 0.000 2.638 405 V HA 0.722 4.844 4.120 0.002 0.000 0.306 405 V C -0.026 175.960 176.094 -0.181 0.000 1.052 405 V CA -0.536 61.603 62.300 -0.268 0.000 0.885 405 V CB 1.492 33.065 31.823 -0.417 0.000 0.999 405 V HN 0.327 nan 8.190 nan 0.000 0.424 406 G N 1.853 110.557 108.800 -0.160 0.000 2.468 406 G HA2 0.473 4.434 3.960 0.002 0.000 0.315 406 G HA3 0.473 4.434 3.960 0.002 0.000 0.315 406 G C -0.726 174.145 174.900 -0.048 0.000 1.203 406 G CA -0.356 44.714 45.100 -0.050 0.000 0.962 406 G HN 0.800 nan 8.290 nan 0.000 0.476 407 C N 3.961 123.272 119.300 0.018 0.000 2.225 407 C HA 0.798 5.259 4.460 0.002 0.000 0.323 407 C C 0.943 175.966 174.990 0.056 0.000 1.164 407 C CA -0.195 58.850 59.018 0.046 0.000 1.565 407 C CB -1.186 26.642 27.740 0.147 0.000 2.124 407 C HN 0.920 nan 8.230 nan 0.000 0.461 408 A N 3.833 126.665 122.820 0.019 0.000 2.420 408 A HA 0.717 5.038 4.320 0.002 0.000 0.291 408 A C 0.205 177.808 177.584 0.032 0.000 1.228 408 A CA -0.095 51.957 52.037 0.026 0.000 0.933 408 A CB 0.605 19.649 19.000 0.074 0.000 1.428 408 A HN 0.763 nan 8.150 nan 0.000 0.493 409 D N -0.323 120.104 120.400 0.045 0.000 3.078 409 D HA 0.073 4.714 4.640 0.002 0.000 0.363 409 D C -0.491 175.838 176.300 0.049 0.000 1.391 409 D CA -0.287 53.740 54.000 0.045 0.000 0.754 409 D CB 0.084 40.926 40.800 0.070 0.000 1.238 409 D HN 0.593 nan 8.370 nan 0.000 0.500 410 R N 0.936 121.464 120.500 0.047 0.000 3.097 410 R HA 0.139 4.480 4.340 0.002 0.000 0.212 410 R C 0.697 177.023 176.300 0.044 0.000 1.651 410 R CA -0.223 55.908 56.100 0.052 0.000 1.134 410 R CB -0.650 29.665 30.300 0.026 0.000 1.241 410 R HN 0.018 nan 8.270 nan 0.000 0.640 411 S N 1.969 117.706 115.700 0.061 0.000 2.553 411 S HA -0.198 4.274 4.470 0.002 0.000 0.271 411 S C 1.957 176.598 174.600 0.068 0.000 1.362 411 S CA -0.325 57.913 58.200 0.065 0.000 1.010 411 S CB 0.664 63.906 63.200 0.070 0.000 0.865 411 S HN 0.976 nan 8.310 nan 0.000 0.543 412 C N 1.385 120.713 119.300 0.048 0.000 2.433 412 C HA -0.379 4.082 4.460 0.002 0.000 0.253 412 C C 1.872 176.870 174.990 0.013 0.000 1.033 412 C CA 2.043 61.069 59.018 0.013 0.000 1.934 412 C CB -2.697 25.046 27.740 0.006 0.000 2.333 412 C HN 1.133 nan 8.230 nan 0.000 0.443 413 Y N 2.995 123.252 120.300 -0.073 0.000 1.807 413 Y HA -0.414 4.137 4.550 0.002 0.000 0.160 413 Y C 2.100 177.914 175.900 -0.144 0.000 1.054 413 Y CA 2.763 60.818 58.100 -0.074 0.000 0.792 413 Y CB -1.267 37.180 38.460 -0.022 0.000 0.659 413 Y HN 0.556 nan 8.280 nan 0.000 0.624 414 D N -0.254 120.262 120.400 0.192 0.000 2.269 414 D HA -0.273 4.369 4.640 0.002 0.000 0.191 414 D C 2.165 178.358 176.300 -0.179 0.000 1.007 414 D CA 2.353 56.282 54.000 -0.117 0.000 0.855 414 D CB -0.683 39.607 40.800 -0.850 0.000 0.979 414 D HN 0.358 nan 8.370 nan 0.000 0.452 415 L N 1.227 122.296 121.223 -0.257 0.000 2.089 415 L HA -0.191 4.150 4.340 0.002 0.000 0.213 415 L C 2.669 179.490 176.870 -0.082 0.000 1.079 415 L CA 1.405 56.156 54.840 -0.148 0.000 0.758 415 L CB -0.791 41.092 42.059 -0.294 0.000 0.891 415 L HN -0.044 nan 8.230 nan 0.000 0.433 416 S N -1.788 113.837 115.700 -0.125 0.000 2.345 416 S HA -0.197 4.274 4.470 0.002 0.000 0.220 416 S C 2.153 176.676 174.600 -0.128 0.000 1.031 416 S CA 1.370 59.500 58.200 -0.116 0.000 0.996 416 S CB -0.745 62.368 63.200 -0.145 0.000 0.882 416 S HN 0.523 nan 8.310 nan 0.000 0.445 417 C N 1.593 120.762 119.300 -0.219 0.000 2.393 417 C HA -0.123 4.338 4.460 0.002 0.000 0.276 417 C C 2.611 177.498 174.990 -0.173 0.000 1.215 417 C CA 0.618 59.483 59.018 -0.254 0.000 1.743 417 C CB -1.634 25.882 27.740 -0.373 0.000 2.044 417 C HN 0.605 nan 8.230 nan 0.000 0.464 418 H N 0.463 119.519 119.070 -0.023 0.000 2.423 418 H HA -0.023 4.534 4.556 0.002 0.000 0.297 418 H C 2.410 177.746 175.328 0.013 0.000 1.075 418 H CA 1.767 57.826 56.048 0.020 0.000 1.342 418 H CB -0.550 29.246 29.762 0.056 0.000 1.395 418 H HN 0.538 nan 8.280 nan 0.000 0.530 419 A N 1.277 124.159 122.820 0.104 0.000 1.872 419 A HA -0.129 4.192 4.320 0.002 0.000 0.214 419 A C 2.481 180.084 177.584 0.032 0.000 1.187 419 A CA 0.986 53.060 52.037 0.062 0.000 0.614 419 A CB -0.310 18.710 19.000 0.033 0.000 0.826 419 A HN 0.279 nan 8.150 nan 0.000 0.442 420 R N -0.516 119.984 120.500 -0.002 0.000 2.152 420 R HA -0.039 4.302 4.340 0.002 0.000 0.232 420 R C 2.261 178.560 176.300 -0.002 0.000 1.117 420 R CA 1.078 57.170 56.100 -0.014 0.000 0.981 420 R CB -0.309 29.963 30.300 -0.046 0.000 0.870 420 R HN 0.527 nan 8.270 nan 0.000 0.451 421 A N 0.453 123.278 122.820 0.008 0.000 1.911 421 A HA -0.077 4.244 4.320 0.002 0.000 0.212 421 A C 2.105 179.715 177.584 0.043 0.000 1.189 421 A CA 1.412 53.462 52.037 0.022 0.000 0.639 421 A CB -0.325 18.689 19.000 0.024 0.000 0.839 421 A HN 0.394 nan 8.150 nan 0.000 0.449 422 T N -3.400 111.192 114.554 0.063 0.000 3.100 422 T HA 0.163 4.514 4.350 0.002 0.000 0.253 422 T C 0.493 175.220 174.700 0.045 0.000 1.118 422 T CA 0.569 62.706 62.100 0.062 0.000 1.058 422 T CB -0.429 68.487 68.868 0.081 0.000 0.953 422 T HN 0.444 nan 8.240 nan 0.000 0.515 423 K N 0.308 120.731 120.400 0.037 0.000 3.150 423 K HA -0.095 4.227 4.320 0.002 0.000 0.267 423 K C -1.084 175.536 176.600 0.034 0.000 1.028 423 K CA 0.138 56.443 56.287 0.029 0.000 0.753 423 K CB -2.010 30.504 32.500 0.023 0.000 1.288 423 K HN 0.403 nan 8.250 nan 0.000 0.473 424 V N 1.094 121.034 119.914 0.043 0.000 2.569 424 V HA 0.292 4.413 4.120 0.002 0.000 0.301 424 V C -1.942 174.186 176.094 0.055 0.000 1.044 424 V CA -1.526 60.803 62.300 0.048 0.000 0.874 424 V CB 1.949 33.805 31.823 0.055 0.000 1.002 424 V HN 0.094 nan 8.190 nan 0.000 0.424 425 P HA 0.294 nan 4.420 nan 0.000 0.271 425 P C -0.949 176.404 177.300 0.089 0.000 1.216 425 P CA -0.030 63.105 63.100 0.058 0.000 0.771 425 P CB 1.150 32.879 31.700 0.049 0.000 0.864 426 L N 3.897 125.178 121.223 0.097 0.000 2.481 426 L HA 0.340 4.681 4.340 0.002 0.000 0.255 426 L C 0.351 177.314 176.870 0.154 0.000 1.192 426 L CA -0.647 54.296 54.840 0.172 0.000 0.924 426 L CB 1.292 43.427 42.059 0.126 0.000 1.179 426 L HN 0.217 nan 8.230 nan 0.000 0.491 427 V N -1.324 118.720 119.914 0.217 0.000 3.105 427 V HA 1.055 5.176 4.120 0.002 0.000 0.311 427 V C -0.420 175.832 176.094 0.264 0.000 1.287 427 V CA -0.696 61.725 62.300 0.203 0.000 1.066 427 V CB 1.904 33.790 31.823 0.105 0.000 1.105 427 V HN 0.426 nan 8.190 nan 0.000 0.462 428 A N -0.400 122.540 122.820 0.201 0.000 2.566 428 A HA 0.888 5.210 4.320 0.002 0.000 0.292 428 A C -0.928 176.722 177.584 0.110 0.000 1.112 428 A CA -0.705 51.428 52.037 0.161 0.000 0.707 428 A CB 1.865 20.999 19.000 0.224 0.000 1.302 428 A HN 0.923 nan 8.150 nan 0.000 0.409 429 E N 0.002 120.251 120.200 0.082 0.000 2.281 429 E HA 0.632 4.983 4.350 0.002 0.000 0.262 429 E C -1.193 175.448 176.600 0.068 0.000 0.933 429 E CA -0.876 55.565 56.400 0.069 0.000 0.809 429 E CB 2.355 32.086 29.700 0.052 0.000 1.242 429 E HN 0.598 nan 8.360 nan 0.000 0.418 430 K N 0.209 120.648 120.400 0.065 0.000 2.557 430 K HA 0.451 4.772 4.320 0.002 0.000 0.257 430 K C -3.001 173.638 176.600 0.065 0.000 0.933 430 K CA -1.658 54.668 56.287 0.064 0.000 0.820 430 K CB 1.938 34.479 32.500 0.069 0.000 1.330 430 K HN 0.166 nan 8.250 nan 0.000 0.432 513 V N -0.949 119.064 119.914 0.165 0.000 2.808 513 V HA 0.692 4.813 4.120 0.002 0.000 0.308 513 V C -0.875 175.262 176.094 0.073 0.000 1.099 513 V CA -0.843 61.520 62.300 0.106 0.000 0.920 513 V CB 2.315 34.192 31.823 0.090 0.000 1.014 513 V HN 0.166 nan 8.190 nan 0.000 0.425 514 E N 3.034 123.271 120.200 0.061 0.000 2.199 514 E HA 0.459 4.811 4.350 0.002 0.000 0.269 514 E C -0.527 176.106 176.600 0.055 0.000 0.899 514 E CA -0.584 55.846 56.400 0.051 0.000 0.772 514 E CB 2.034 31.759 29.700 0.043 0.000 1.155 514 E HN 1.004 nan 8.360 nan 0.000 0.408 515 E N 2.808 123.040 120.200 0.052 0.000 2.283 515 E HA 0.402 4.753 4.350 0.002 0.000 0.278 515 E C -0.401 176.235 176.600 0.060 0.000 1.027 515 E CA -0.831 55.605 56.400 0.060 0.000 0.843 515 E CB 1.506 31.239 29.700 0.055 0.000 1.062 515 E HN 0.264 nan 8.360 nan 0.000 0.401 516 V N 0.023 119.982 119.914 0.075 0.000 3.102 516 V HA 0.629 4.750 4.120 0.002 0.000 0.312 516 V C -0.167 175.972 176.094 0.075 0.000 1.135 516 V CA -1.047 61.296 62.300 0.072 0.000 1.022 516 V CB 1.605 33.477 31.823 0.081 0.000 1.056 516 V HN 0.649 nan 8.190 nan 0.000 0.436 517 V N -0.651 119.295 119.914 0.053 0.000 2.318 517 V HA 0.585 4.706 4.120 0.002 0.000 0.271 517 V C -2.397 173.728 176.094 0.052 0.000 1.030 517 V CA -2.142 60.173 62.300 0.025 0.000 0.844 517 V CB 0.113 31.936 31.823 -0.000 0.000 1.015 517 V HN 0.861 nan 8.190 nan 0.000 0.460 518 P HA 0.096 nan 4.420 nan 0.000 0.263 518 P C -0.538 176.854 177.300 0.153 0.000 1.175 518 P CA 0.504 63.705 63.100 0.167 0.000 0.761 518 P CB 0.258 32.115 31.700 0.263 0.000 0.794 519 N N 1.435 120.230 118.700 0.157 0.000 2.457 519 N HA 0.319 5.061 4.740 0.002 0.000 0.250 519 N C -1.096 174.479 175.510 0.109 0.000 0.982 519 N CA -0.425 52.694 53.050 0.115 0.000 0.941 519 N CB 0.740 39.287 38.487 0.099 0.000 1.120 519 N HN 0.103 nan 8.380 nan 0.000 0.505 520 V N 4.006 123.950 119.914 0.049 0.000 2.439 520 V HA 0.514 4.635 4.120 0.002 0.000 0.282 520 V C -0.657 175.397 176.094 -0.067 0.000 1.039 520 V CA -0.513 61.737 62.300 -0.082 0.000 0.913 520 V CB 0.619 32.325 31.823 -0.196 0.000 0.983 520 V HN 0.449 nan 8.190 nan 0.000 0.460 521 I N 6.716 127.222 120.570 -0.107 0.000 2.328 521 I HA 0.377 4.548 4.170 0.002 0.000 0.287 521 I C 0.151 176.129 176.117 -0.232 0.000 1.012 521 I CA -0.072 61.145 61.300 -0.138 0.000 1.195 521 I CB 1.556 39.445 38.000 -0.185 0.000 1.350 521 I HN 0.806 nan 8.210 nan 0.000 0.464 522 E N 7.357 127.464 120.200 -0.156 0.000 2.063 522 E HA 0.496 4.847 4.350 0.002 0.000 0.265 522 E C -2.720 173.816 176.600 -0.106 0.000 0.919 522 E CA -2.006 54.303 56.400 -0.152 0.000 0.756 522 E CB 0.830 30.458 29.700 -0.119 0.000 1.120 522 E HN 0.228 nan 8.360 nan 0.000 0.414 523 P HA 0.054 nan 4.420 nan 0.000 0.280 523 P C -0.897 176.411 177.300 0.014 0.000 1.300 523 P CA -0.308 62.770 63.100 -0.037 0.000 0.785 523 P CB 1.248 33.028 31.700 0.133 0.000 0.874 524 S N 4.134 119.769 115.700 -0.108 0.000 2.420 524 S HA 0.517 4.988 4.470 0.002 0.000 0.313 524 S C -0.859 173.645 174.600 -0.160 0.000 1.079 524 S CA -0.522 57.655 58.200 -0.038 0.000 1.104 524 S CB -0.540 62.661 63.200 0.002 0.000 0.969 524 S HN 0.078 nan 8.310 nan 0.000 0.471 525 F N 2.702 122.587 119.950 -0.108 0.000 2.415 525 F HA 0.507 5.036 4.527 0.002 0.000 0.348 525 F C 1.131 176.856 175.800 -0.126 0.000 1.119 525 F CA -0.887 57.030 58.000 -0.138 0.000 1.069 525 F CB 1.507 40.311 39.000 -0.327 0.000 1.124 525 F HN 0.616 nan 8.300 nan 0.000 0.472 526 G N 4.523 113.361 108.800 0.063 0.000 3.288 526 G HA2 0.379 4.340 3.960 0.002 0.000 0.337 526 G HA3 0.379 4.340 3.960 0.002 0.000 0.337 526 G C 0.812 175.718 174.900 0.010 0.000 1.142 526 G CA -0.382 44.737 45.100 0.032 0.000 1.304 526 G HN 0.788 nan 8.290 nan 0.000 0.475 527 L N 1.759 122.979 121.223 -0.004 0.000 2.197 527 L HA -0.154 4.187 4.340 0.002 0.000 0.215 527 L C 2.866 179.704 176.870 -0.053 0.000 1.095 527 L CA 1.362 56.176 54.840 -0.042 0.000 0.764 527 L CB -0.191 41.795 42.059 -0.122 0.000 0.897 527 L HN 0.545 nan 8.230 nan 0.000 0.436 528 G N 0.004 108.783 108.800 -0.035 0.000 2.464 528 G HA2 -0.202 3.759 3.960 0.002 0.000 0.214 528 G HA3 -0.202 3.759 3.960 0.002 0.000 0.214 528 G C 1.689 176.561 174.900 -0.046 0.000 1.218 528 G CA 0.357 45.440 45.100 -0.028 0.000 0.794 528 G HN 0.271 nan 8.290 nan 0.000 0.542 529 R N -0.015 120.425 120.500 -0.100 0.000 2.096 529 R HA 0.045 4.387 4.340 0.002 0.000 0.235 529 R C 2.588 178.863 176.300 -0.042 0.000 1.127 529 R CA 1.000 57.049 56.100 -0.085 0.000 0.968 529 R CB -0.437 29.780 30.300 -0.139 0.000 0.861 529 R HN 0.382 nan 8.270 nan 0.000 0.440 530 I N 0.601 121.140 120.570 -0.052 0.000 2.226 530 I HA -0.301 3.870 4.170 0.002 0.000 0.245 530 I C 2.695 178.723 176.117 -0.148 0.000 1.100 530 I CA 1.266 62.528 61.300 -0.063 0.000 1.374 530 I CB -0.204 37.814 38.000 0.030 0.000 1.057 530 I HN 0.243 nan 8.210 nan 0.000 0.413 531 M N -0.269 119.233 119.600 -0.164 0.000 2.099 531 M HA -0.266 4.215 4.480 0.002 0.000 0.262 531 M C 2.520 178.548 176.300 -0.452 0.000 1.067 531 M CA 1.891 56.980 55.300 -0.352 0.000 1.124 531 M CB -0.287 32.139 32.600 -0.289 0.000 1.353 531 M HN 0.198 nan 8.290 nan 0.000 0.410 532 Y N 1.003 121.171 120.300 -0.220 0.000 2.207 532 Y HA -0.234 4.317 4.550 0.002 0.000 0.287 532 Y C 2.105 177.977 175.900 -0.046 0.000 1.156 532 Y CA 2.330 60.448 58.100 0.030 0.000 1.182 532 Y CB -0.700 37.748 38.460 -0.021 0.000 0.979 532 Y HN 0.250 nan 8.280 nan 0.000 0.521 533 T N -0.528 113.907 114.554 -0.199 0.000 2.746 533 T HA -0.174 4.177 4.350 0.002 0.000 0.267 533 T C 2.060 176.473 174.700 -0.478 0.000 1.039 533 T CA 1.701 63.551 62.100 -0.415 0.000 1.142 533 T CB -0.756 67.872 68.868 -0.400 0.000 0.866 533 T HN 0.204 nan 8.240 nan 0.000 0.444 534 V N 0.993 120.699 119.914 -0.347 0.000 2.469 534 V HA -0.149 3.972 4.120 0.002 0.000 0.251 534 V C 2.150 178.241 176.094 -0.005 0.000 1.064 534 V CA 1.493 63.669 62.300 -0.206 0.000 1.066 534 V CB -0.885 30.757 31.823 -0.302 0.000 0.667 534 V HN 0.327 nan 8.190 nan 0.000 0.461 535 F N 0.845 120.750 119.950 -0.075 0.000 2.046 535 F HA -0.141 4.387 4.527 0.002 0.000 0.297 535 F C 2.545 178.347 175.800 0.002 0.000 1.123 535 F CA 1.663 59.692 58.000 0.048 0.000 1.199 535 F CB -0.907 37.968 39.000 -0.208 0.000 0.972 535 F HN 0.203 nan 8.300 nan 0.000 0.474 536 E N -1.087 119.065 120.200 -0.080 0.000 2.077 536 E HA -0.210 4.141 4.350 0.002 0.000 0.193 536 E C 2.034 178.644 176.600 0.016 0.000 0.989 536 E CA 1.392 57.724 56.400 -0.112 0.000 0.800 536 E CB -0.457 29.121 29.700 -0.203 0.000 0.746 536 E HN 0.616 nan 8.360 nan 0.000 0.452 537 H N -0.562 118.438 119.070 -0.115 0.000 2.491 537 H HA -0.045 4.512 4.556 0.002 0.000 0.290 537 H C 1.959 177.185 175.328 -0.169 0.000 1.050 537 H CA 1.292 57.269 56.048 -0.119 0.000 1.309 537 H CB 0.276 29.987 29.762 -0.084 0.000 1.392 537 H HN 0.207 nan 8.280 nan 0.000 0.554 538 T N -2.514 112.011 114.554 -0.047 0.000 3.044 538 T HA 0.019 4.370 4.350 0.002 0.000 0.260 538 T C 0.133 174.376 174.700 -0.762 0.000 1.019 538 T CA -0.493 61.454 62.100 -0.255 0.000 0.921 538 T CB -0.435 68.453 68.868 0.033 0.000 1.053 538 T HN 0.086 nan 8.240 nan 0.000 0.533 539 F N 4.221 123.660 119.950 -0.852 0.000 2.472 539 F HA 0.437 4.965 4.527 0.002 0.000 0.364 539 F C 0.010 175.084 175.800 -1.209 0.000 1.090 539 F CA -0.515 56.765 58.000 -1.200 0.000 1.188 539 F CB 0.260 38.728 39.000 -0.887 0.000 1.105 539 F HN 0.190 nan 8.300 nan 0.000 0.536 540 H N 4.121 122.241 119.070 -1.584 0.000 2.894 540 H HA 0.570 5.127 4.556 0.002 0.000 0.368 540 H C -1.101 173.591 175.328 -1.060 0.000 1.181 540 H CA -0.912 54.441 56.048 -1.159 0.000 1.146 540 H CB 1.894 30.991 29.762 -1.108 0.000 1.839 540 H HN 0.339 nan 8.280 nan 0.000 0.557 541 V N 2.565 122.284 119.914 -0.325 0.000 2.448 541 V HA 0.306 4.427 4.120 0.002 0.000 0.295 541 V C 0.468 176.590 176.094 0.047 0.000 1.025 541 V CA -1.020 61.185 62.300 -0.159 0.000 0.859 541 V CB 1.402 33.163 31.823 -0.103 0.000 0.988 541 V HN 0.539 nan 8.190 nan 0.000 0.431 542 R N 2.659 123.209 120.500 0.083 0.000 2.537 542 R HA 0.153 4.494 4.340 0.002 0.000 0.280 542 R C 0.331 176.623 176.300 -0.015 0.000 1.058 542 R CA -0.315 55.795 56.100 0.016 0.000 1.057 542 R CB 0.927 31.182 30.300 -0.075 0.000 0.973 542 R HN 0.796 nan 8.270 nan 0.000 0.438 543 E N 1.807 121.990 120.200 -0.028 0.000 1.800 543 E HA 0.106 4.457 4.350 0.002 0.000 0.262 543 E C -0.613 175.970 176.600 -0.029 0.000 1.219 543 E CA -0.141 56.243 56.400 -0.027 0.000 1.051 543 E CB -0.071 29.610 29.700 -0.031 0.000 1.074 543 E HN 0.750 nan 8.360 nan 0.000 0.433 544 G N 3.285 112.072 108.800 -0.021 0.000 2.750 544 G HA2 0.027 3.988 3.960 0.002 0.000 0.298 544 G HA3 0.027 3.988 3.960 0.002 0.000 0.298 544 G C -0.234 174.660 174.900 -0.010 0.000 1.412 544 G CA -0.751 44.338 45.100 -0.019 0.000 1.078 544 G HN 0.338 nan 8.290 nan 0.000 0.573 545 D N 0.329 120.725 120.400 -0.008 0.000 2.220 545 D HA -0.179 4.462 4.640 0.002 0.000 0.198 545 D C 1.851 178.152 176.300 0.001 0.000 1.001 545 D CA 1.638 55.637 54.000 -0.003 0.000 0.875 545 D CB 0.383 41.181 40.800 -0.003 0.000 0.921 545 D HN 0.674 nan 8.370 nan 0.000 0.454 546 E N 0.138 120.339 120.200 0.001 0.000 2.401 546 E HA -0.166 4.185 4.350 0.002 0.000 0.199 546 E C -0.092 176.515 176.600 0.011 0.000 1.023 546 E CA 0.275 56.679 56.400 0.007 0.000 0.859 546 E CB 0.128 29.832 29.700 0.006 0.000 0.780 546 E HN 0.075 nan 8.360 nan 0.000 0.523 547 Q N 0.342 120.146 119.800 0.007 0.000 2.453 547 Q HA -0.215 4.126 4.340 0.002 0.000 0.330 547 Q C -0.916 175.094 176.000 0.018 0.000 1.417 547 Q CA 0.930 56.741 55.803 0.012 0.000 0.902 547 Q CB -1.562 27.187 28.738 0.019 0.000 1.154 547 Q HN 0.391 nan 8.270 nan 0.000 0.395 548 R N 0.100 120.606 120.500 0.010 0.000 2.500 548 R HA 0.558 4.899 4.340 0.002 0.000 0.275 548 R C 0.905 177.212 176.300 0.011 0.000 1.051 548 R CA 0.344 56.455 56.100 0.019 0.000 1.088 548 R CB 0.855 31.160 30.300 0.008 0.000 1.063 548 R HN 0.375 nan 8.270 nan 0.000 0.511 549 T N -1.070 113.493 114.554 0.015 0.000 2.926 549 T HA 0.789 5.140 4.350 0.002 0.000 0.289 549 T C -0.683 174.041 174.700 0.041 0.000 1.054 549 T CA -0.862 61.169 62.100 -0.115 0.000 1.015 549 T CB 1.411 70.131 68.868 -0.247 0.000 1.167 549 T HN 0.542 nan 8.240 nan 0.000 0.526 550 F N -1.586 118.050 119.950 -0.524 0.000 2.744 550 F HA 0.741 5.269 4.527 0.002 0.000 0.311 550 F C -2.655 172.785 175.800 -0.600 0.000 1.144 550 F CA -2.468 55.324 58.000 -0.346 0.000 0.938 550 F CB 0.566 39.440 39.000 -0.209 0.000 1.292 550 F HN 0.558 nan 8.300 nan 0.000 0.444 551 F N 1.536 121.181 119.950 -0.508 0.000 2.444 551 F HA 0.509 5.037 4.527 0.002 0.000 0.342 551 F C 0.656 176.044 175.800 -0.685 0.000 1.121 551 F CA -0.895 56.575 58.000 -0.883 0.000 0.997 551 F CB 2.258 40.301 39.000 -1.596 0.000 1.130 551 F HN 0.640 nan 8.300 nan 0.000 0.454 552 S N 3.305 118.810 115.700 -0.325 0.000 4.069 552 S HA 0.316 4.787 4.470 0.002 0.000 0.192 552 S C -0.246 174.389 174.600 0.060 0.000 1.441 552 S CA -0.535 57.642 58.200 -0.038 0.000 0.994 552 S CB -1.389 61.862 63.200 0.086 0.000 1.456 552 S HN 0.430 nan 8.310 nan 0.000 0.458 553 F N 1.971 121.959 119.950 0.062 0.000 2.529 553 F HA 0.262 4.790 4.527 0.002 0.000 0.365 553 F C -1.665 174.113 175.800 -0.037 0.000 1.102 553 F CA -2.426 55.577 58.000 0.006 0.000 1.271 553 F CB 0.171 39.172 39.000 0.002 0.000 1.120 553 F HN 0.218 nan 8.300 nan 0.000 0.579 554 P HA -0.023 nan 4.420 nan 0.000 0.271 554 P C -0.017 177.308 177.300 0.042 0.000 1.233 554 P CA 0.095 63.233 63.100 0.062 0.000 0.789 554 P CB 0.693 32.409 31.700 0.028 0.000 0.951 555 A N 1.449 124.286 122.820 0.028 0.000 2.015 555 A HA -0.119 4.202 4.320 0.002 0.000 0.219 555 A C 1.691 179.308 177.584 0.056 0.000 1.163 555 A CA 1.885 53.944 52.037 0.037 0.000 0.646 555 A CB -1.555 17.506 19.000 0.102 0.000 0.806 555 A HN 0.499 nan 8.150 nan 0.000 0.448 556 V N -1.996 117.945 119.914 0.045 0.000 3.380 556 V HA 0.021 4.142 4.120 0.002 0.000 0.268 556 V C 1.667 177.765 176.094 0.006 0.000 1.168 556 V CA 1.453 63.777 62.300 0.040 0.000 1.156 556 V CB -0.694 31.154 31.823 0.041 0.000 0.785 556 V HN 0.674 nan 8.190 nan 0.000 0.487 557 V N -3.166 116.728 119.914 -0.034 0.000 3.497 557 V HA 0.680 4.802 4.120 0.002 0.000 0.272 557 V C 1.305 177.311 176.094 -0.148 0.000 1.474 557 V CA 0.031 62.261 62.300 -0.116 0.000 1.025 557 V CB -0.440 31.249 31.823 -0.224 0.000 0.820 557 V HN 0.520 nan 8.190 nan 0.000 0.437 558 A N 1.981 124.772 122.820 -0.047 0.000 2.561 558 A HA 0.367 4.688 4.320 0.002 0.000 0.234 558 A C -0.625 176.962 177.584 0.005 0.000 1.055 558 A CA 0.159 52.212 52.037 0.027 0.000 0.756 558 A CB -0.429 18.604 19.000 0.055 0.000 0.986 558 A HN 0.398 nan 8.150 nan 0.000 0.505 559 P HA -0.136 nan 4.420 nan 0.000 0.217 559 P C -0.021 177.409 177.300 0.217 0.000 1.162 559 P CA 2.036 65.184 63.100 0.079 0.000 0.901 559 P CB -0.101 31.624 31.700 0.041 0.000 0.793 560 F N -5.966 114.041 119.950 0.095 0.000 2.622 560 F HA 0.475 5.003 4.527 0.002 0.000 0.318 560 F C 0.725 176.601 175.800 0.127 0.000 1.135 560 F CA -1.305 56.755 58.000 0.099 0.000 1.015 560 F CB 0.714 39.764 39.000 0.084 0.000 1.275 560 F HN -0.422 nan 8.300 nan 0.000 0.457 561 K N 0.940 121.497 120.400 0.261 0.000 2.001 561 K HA -0.106 4.215 4.320 0.002 0.000 0.214 561 K C 0.430 177.199 176.600 0.282 0.000 1.050 561 K CA 1.941 58.355 56.287 0.212 0.000 0.934 561 K CB -0.226 32.437 32.500 0.272 0.000 0.718 561 K HN 0.638 nan 8.250 nan 0.000 0.443 562 C N 0.358 119.913 119.300 0.425 0.000 2.529 562 C HA 0.477 4.939 4.460 0.002 0.000 0.329 562 C C -0.341 174.963 174.990 0.523 0.000 1.194 562 C CA -0.642 58.636 59.018 0.434 0.000 1.779 562 C CB 1.662 29.612 27.740 0.351 0.000 2.322 562 C HN 0.359 nan 8.230 nan 0.000 0.500 563 S N 3.582 119.550 115.700 0.447 0.000 2.667 563 S HA 0.524 4.995 4.470 0.002 0.000 0.304 563 S C -0.939 173.840 174.600 0.298 0.000 1.135 563 S CA -0.399 58.061 58.200 0.433 0.000 1.125 563 S CB 0.508 63.976 63.200 0.447 0.000 0.996 563 S HN 0.681 nan 8.310 nan 0.000 0.474 564 V N 6.979 127.034 119.914 0.235 0.000 2.387 564 V HA 0.348 4.469 4.120 0.002 0.000 0.260 564 V C -0.176 175.979 176.094 0.101 0.000 1.054 564 V CA -0.458 61.941 62.300 0.165 0.000 0.967 564 V CB -0.025 31.889 31.823 0.152 0.000 1.036 564 V HN 0.743 nan 8.190 nan 0.000 0.481 565 L N 6.556 127.815 121.223 0.060 0.000 2.372 565 L HA 0.879 5.220 4.340 0.002 0.000 0.274 565 L C -2.667 174.204 176.870 0.002 0.000 0.988 565 L CA -1.632 53.193 54.840 -0.024 0.000 0.833 565 L CB 1.963 43.909 42.059 -0.189 0.000 1.236 565 L HN 0.311 nan 8.230 nan 0.000 0.410 566 P HA 0.400 nan 4.420 nan 0.000 0.286 566 P C -0.126 177.123 177.300 -0.086 0.000 1.292 566 P CA -0.608 62.509 63.100 0.028 0.000 0.842 566 P CB 2.350 34.096 31.700 0.077 0.000 1.207 567 L N -0.596 120.524 121.223 -0.171 0.000 2.130 567 L HA 0.174 4.515 4.340 0.002 0.000 0.200 567 L C 1.573 178.196 176.870 -0.412 0.000 1.075 567 L CA 1.693 56.403 54.840 -0.218 0.000 0.768 567 L CB -0.984 41.019 42.059 -0.093 0.000 0.933 567 L HN 0.389 nan 8.230 nan 0.000 0.451 568 S N -1.639 113.494 115.700 -0.944 0.000 2.578 568 S HA 0.327 4.798 4.470 0.002 0.000 0.301 568 S C 0.263 174.445 174.600 -0.695 0.000 1.091 568 S CA -0.467 57.248 58.200 -0.808 0.000 1.032 568 S CB 1.628 64.270 63.200 -0.929 0.000 1.064 568 S HN 0.170 nan 8.310 nan 0.000 0.508 569 Q N 2.347 121.941 119.800 -0.343 0.000 2.282 569 Q HA 0.226 4.567 4.340 0.002 0.000 0.206 569 Q C 0.492 176.432 176.000 -0.102 0.000 0.878 569 Q CA 0.024 55.720 55.803 -0.179 0.000 0.944 569 Q CB -0.141 28.534 28.738 -0.105 0.000 1.100 569 Q HN 0.859 nan 8.270 nan 0.000 0.509 570 N N -0.953 117.672 118.700 -0.126 0.000 2.267 570 N HA -0.105 4.636 4.740 0.002 0.000 0.226 570 N C 0.077 175.628 175.510 0.068 0.000 1.314 570 N CA -0.158 52.882 53.050 -0.017 0.000 0.887 570 N CB 0.382 38.869 38.487 -0.000 0.000 1.120 570 N HN 0.095 nan 8.380 nan 0.000 0.440 571 Q N -0.473 119.374 119.800 0.078 0.000 2.547 571 Q HA -0.057 4.284 4.340 0.002 0.000 0.217 571 Q C 0.474 176.564 176.000 0.149 0.000 0.978 571 Q CA 0.472 56.333 55.803 0.097 0.000 0.962 571 Q CB 0.090 28.867 28.738 0.064 0.000 0.990 571 Q HN 0.587 nan 8.270 nan 0.000 0.538 572 E N -0.552 119.785 120.200 0.228 0.000 2.166 572 E HA -0.027 4.324 4.350 0.002 0.000 0.192 572 E C 1.106 177.898 176.600 0.321 0.000 0.967 572 E CA 0.750 57.315 56.400 0.275 0.000 0.840 572 E CB 0.133 30.035 29.700 0.338 0.000 0.795 572 E HN 0.341 nan 8.360 nan 0.000 0.470 573 F N 0.345 120.313 119.950 0.030 0.000 2.582 573 F HA 0.101 4.629 4.527 0.002 0.000 0.290 573 F C 2.165 178.071 175.800 0.177 0.000 1.115 573 F CA 0.209 58.240 58.000 0.051 0.000 1.445 573 F CB -0.372 38.566 39.000 -0.103 0.000 1.126 573 F HN -0.108 nan 8.300 nan 0.000 0.574 574 M N 0.538 120.309 119.600 0.285 0.000 2.113 574 M HA -0.191 4.290 4.480 0.002 0.000 0.255 574 M C -0.483 175.889 176.300 0.120 0.000 1.073 574 M CA 2.008 57.406 55.300 0.164 0.000 1.091 574 M CB -2.597 30.061 32.600 0.097 0.000 1.309 574 M HN -0.063 nan 8.290 nan 0.000 0.407 575 P HA -0.134 nan 4.420 nan 0.000 0.222 575 P C 1.230 178.376 177.300 -0.257 0.000 1.142 575 P CA 1.240 64.264 63.100 -0.126 0.000 0.788 575 P CB -0.170 31.391 31.700 -0.231 0.000 0.767 576 F N -2.113 117.800 119.950 -0.062 0.000 2.274 576 F HA -0.027 4.501 4.527 0.002 0.000 0.288 576 F C 2.302 178.089 175.800 -0.022 0.000 1.069 576 F CA 0.580 58.536 58.000 -0.074 0.000 1.343 576 F CB -1.291 37.632 39.000 -0.129 0.000 1.089 576 F HN -0.345 nan 8.300 nan 0.000 0.517 577 V N 0.838 120.883 119.914 0.218 0.000 2.295 577 V HA -0.314 3.807 4.120 0.002 0.000 0.246 577 V C 2.495 178.645 176.094 0.093 0.000 1.049 577 V CA 2.097 64.483 62.300 0.144 0.000 1.024 577 V CB -0.666 31.239 31.823 0.137 0.000 0.648 577 V HN 0.270 nan 8.190 nan 0.000 0.447 578 K N 0.203 120.643 120.400 0.068 0.000 2.001 578 K HA -0.310 4.011 4.320 0.002 0.000 0.214 578 K C 2.224 178.837 176.600 0.021 0.000 1.050 578 K CA 2.358 58.668 56.287 0.039 0.000 0.934 578 K CB -0.211 32.296 32.500 0.012 0.000 0.718 578 K HN 0.446 nan 8.250 nan 0.000 0.443 579 E N 1.096 121.287 120.200 -0.015 0.000 2.012 579 E HA -0.229 4.123 4.350 0.002 0.000 0.197 579 E C 2.014 178.610 176.600 -0.007 0.000 1.007 579 E CA 1.578 57.958 56.400 -0.033 0.000 0.816 579 E CB -0.641 29.004 29.700 -0.091 0.000 0.762 579 E HN 0.300 nan 8.360 nan 0.000 0.451 580 L N 0.520 121.749 121.223 0.009 0.000 1.997 580 L HA -0.242 4.099 4.340 0.002 0.000 0.216 580 L C 2.512 179.348 176.870 -0.057 0.000 1.074 580 L CA 2.617 57.456 54.840 -0.002 0.000 0.763 580 L CB -1.450 40.623 42.059 0.024 0.000 0.890 580 L HN 0.294 nan 8.230 nan 0.000 0.434 581 S N -0.778 114.912 115.700 -0.017 0.000 2.365 581 S HA -0.287 4.184 4.470 0.002 0.000 0.221 581 S C 1.898 176.530 174.600 0.053 0.000 1.037 581 S CA 1.870 60.086 58.200 0.026 0.000 1.060 581 S CB -0.494 62.868 63.200 0.269 0.000 0.974 581 S HN 0.658 nan 8.310 nan 0.000 0.427 582 E N 0.797 121.042 120.200 0.076 0.000 2.130 582 E HA -0.150 4.201 4.350 0.002 0.000 0.196 582 E C 2.398 179.011 176.600 0.021 0.000 0.998 582 E CA 1.101 57.535 56.400 0.057 0.000 0.806 582 E CB -0.380 29.335 29.700 0.026 0.000 0.738 582 E HN 0.652 nan 8.360 nan 0.000 0.459 583 A N 1.136 123.957 122.820 0.002 0.000 1.902 583 A HA -0.161 4.160 4.320 0.002 0.000 0.217 583 A C 2.196 179.819 177.584 0.065 0.000 1.181 583 A CA 1.063 53.109 52.037 0.015 0.000 0.623 583 A CB -0.592 18.431 19.000 0.038 0.000 0.818 583 A HN 0.131 nan 8.150 nan 0.000 0.443 584 L N -0.801 120.418 121.223 -0.007 0.000 2.046 584 L HA -0.161 4.180 4.340 0.002 0.000 0.208 584 L C 2.814 179.738 176.870 0.090 0.000 1.077 584 L CA 1.750 56.582 54.840 -0.013 0.000 0.747 584 L CB -0.935 40.892 42.059 -0.386 0.000 0.896 584 L HN 0.349 nan 8.230 nan 0.000 0.432 585 T N -0.584 114.042 114.554 0.121 0.000 2.684 585 T HA -0.206 4.145 4.350 0.002 0.000 0.267 585 T C 1.975 176.718 174.700 0.072 0.000 1.036 585 T CA 1.261 63.462 62.100 0.169 0.000 1.148 585 T CB -0.227 68.743 68.868 0.170 0.000 0.863 585 T HN 0.293 nan 8.240 nan 0.000 0.436 586 R N 0.286 120.781 120.500 -0.009 0.000 2.127 586 R HA -0.085 4.256 4.340 0.002 0.000 0.238 586 R C 1.976 178.183 176.300 -0.153 0.000 1.134 586 R CA 1.101 57.133 56.100 -0.114 0.000 0.975 586 R CB -0.324 29.844 30.300 -0.221 0.000 0.865 586 R HN 0.536 nan 8.270 nan 0.000 0.447 587 H N -0.627 118.464 119.070 0.035 0.000 2.539 587 H HA 0.111 4.668 4.556 0.002 0.000 0.267 587 H C 0.904 176.267 175.328 0.058 0.000 0.982 587 H CA 0.785 56.856 56.048 0.038 0.000 1.146 587 H CB 0.486 30.264 29.762 0.026 0.000 1.382 587 H HN 0.416 nan 8.280 nan 0.000 0.577 588 G N 1.316 110.208 108.800 0.153 0.000 2.298 588 G HA2 -0.242 3.719 3.960 0.002 0.000 0.287 588 G HA3 -0.242 3.719 3.960 0.002 0.000 0.287 588 G C -0.188 174.813 174.900 0.168 0.000 1.075 588 G CA 0.381 45.565 45.100 0.139 0.000 0.960 588 G HN 0.224 nan 8.290 nan 0.000 0.502 589 V N 1.314 121.350 119.914 0.203 0.000 2.326 589 V HA 0.543 4.664 4.120 0.002 0.000 0.281 589 V C 0.897 177.187 176.094 0.327 0.000 1.015 589 V CA -0.338 62.099 62.300 0.229 0.000 0.823 589 V CB 1.451 33.390 31.823 0.193 0.000 1.009 589 V HN 0.948 nan 8.190 nan 0.000 0.436 590 S N 5.487 121.357 115.700 0.284 0.000 2.544 590 S HA 0.316 4.787 4.470 0.002 0.000 0.290 590 S C -0.075 174.764 174.600 0.399 0.000 1.276 590 S CA -0.263 58.106 58.200 0.281 0.000 1.075 590 S CB 0.018 63.360 63.200 0.236 0.000 0.849 590 S HN 0.985 nan 8.310 nan 0.000 0.494 591 H N 0.211 119.363 119.070 0.137 0.000 2.942 591 H HA 0.692 5.249 4.556 0.002 0.000 0.316 591 H C -1.456 173.782 175.328 -0.150 0.000 1.323 591 H CA -1.306 54.815 56.048 0.121 0.000 1.144 591 H CB 1.148 30.993 29.762 0.139 0.000 1.866 591 H HN 0.670 nan 8.280 nan 0.000 0.545 592 K N 0.918 121.229 120.400 -0.148 0.000 2.561 592 K HA 0.308 4.629 4.320 0.002 0.000 0.254 592 K C -1.377 175.197 176.600 -0.043 0.000 0.942 592 K CA -0.828 55.276 56.287 -0.305 0.000 0.818 592 K CB 3.505 35.578 32.500 -0.713 0.000 1.306 592 K HN 0.303 nan 8.250 nan 0.000 0.435 593 V N 2.576 122.477 119.914 -0.023 0.000 2.405 593 V HA 0.002 4.123 4.120 0.002 0.000 0.264 593 V C 0.158 176.247 176.094 -0.009 0.000 1.048 593 V CA -0.218 62.098 62.300 0.027 0.000 0.966 593 V CB 0.597 32.438 31.823 0.031 0.000 1.015 593 V HN 0.652 nan 8.190 nan 0.000 0.477 594 D N 3.934 124.337 120.400 0.005 0.000 2.425 594 D HA 0.054 4.695 4.640 0.002 0.000 0.247 594 D C 0.473 176.754 176.300 -0.031 0.000 1.147 594 D CA 0.154 54.146 54.000 -0.014 0.000 0.879 594 D CB 1.237 42.016 40.800 -0.037 0.000 1.179 594 D HN 0.551 nan 8.370 nan 0.000 0.456 595 D N 0.768 121.151 120.400 -0.028 0.000 2.469 595 D HA -0.034 4.607 4.640 0.002 0.000 0.240 595 D C 0.414 176.696 176.300 -0.030 0.000 1.087 595 D CA 0.132 54.112 54.000 -0.033 0.000 0.876 595 D CB -0.020 40.763 40.800 -0.028 0.000 1.160 595 D HN 0.503 nan 8.370 nan 0.000 0.497 596 S N 1.386 117.075 115.700 -0.019 0.000 2.558 596 S HA 0.010 4.482 4.470 0.002 0.000 0.297 596 S C 0.713 175.301 174.600 -0.019 0.000 1.283 596 S CA -0.342 57.851 58.200 -0.011 0.000 1.044 596 S CB 0.459 63.660 63.200 0.001 0.000 0.789 596 S HN 0.185 nan 8.310 nan 0.000 0.500 597 S N 2.030 117.723 115.700 -0.011 0.000 2.645 597 S HA 0.811 5.282 4.470 0.002 0.000 0.266 597 S C 0.720 175.316 174.600 -0.006 0.000 1.258 597 S CA -0.210 57.983 58.200 -0.011 0.000 0.990 597 S CB 0.364 63.560 63.200 -0.006 0.000 0.967 597 S HN 2.472 nan 8.310 nan 0.000 0.556 598 G N 0.366 109.165 108.800 -0.003 0.000 2.479 598 G HA2 0.188 4.150 3.960 0.002 0.000 0.686 598 G HA3 0.188 4.150 3.960 0.002 0.000 0.686 598 G C -0.341 174.564 174.900 0.008 0.000 1.295 598 G CA -0.510 44.594 45.100 0.006 0.000 0.922 598 G HN 1.871 nan 8.290 nan 0.000 0.582 599 S N -0.535 115.178 115.700 0.021 0.000 2.579 599 S HA 0.384 4.855 4.470 0.002 0.000 0.275 599 S C 1.846 176.467 174.600 0.035 0.000 1.345 599 S CA 0.190 58.411 58.200 0.035 0.000 1.031 599 S CB 1.314 64.540 63.200 0.044 0.000 0.892 599 S HN 1.839 nan 8.310 nan 0.000 0.529 600 I N 1.559 122.161 120.570 0.052 0.000 2.381 600 I HA -0.153 4.018 4.170 0.002 0.000 0.255 600 I C 1.851 178.042 176.117 0.123 0.000 1.140 600 I CA 2.002 63.333 61.300 0.052 0.000 1.404 600 I CB -0.916 37.162 38.000 0.131 0.000 1.075 600 I HN 0.868 nan 8.210 nan 0.000 0.433 601 G N 0.372 109.253 108.800 0.134 0.000 2.430 601 G HA2 -0.209 3.752 3.960 0.002 0.000 0.216 601 G HA3 -0.209 3.752 3.960 0.002 0.000 0.216 601 G C 1.791 176.761 174.900 0.117 0.000 1.146 601 G CA 0.450 45.642 45.100 0.155 0.000 0.793 601 G HN 0.409 nan 8.290 nan 0.000 0.537 602 R N 0.059 120.601 120.500 0.070 0.000 2.200 602 R HA 0.088 4.430 4.340 0.002 0.000 0.208 602 R C 2.563 178.888 176.300 0.042 0.000 1.033 602 R CA 0.122 56.253 56.100 0.051 0.000 1.000 602 R CB -0.072 30.249 30.300 0.035 0.000 0.906 602 R HN 0.114 nan 8.270 nan 0.000 0.462 603 R N -0.192 120.311 120.500 0.006 0.000 2.061 603 R HA -0.139 4.202 4.340 0.002 0.000 0.230 603 R C 1.919 178.200 176.300 -0.032 0.000 1.140 603 R CA 1.423 57.486 56.100 -0.062 0.000 0.940 603 R CB -0.951 29.235 30.300 -0.190 0.000 0.839 603 R HN 0.293 nan 8.270 nan 0.000 0.429 604 Y N 1.181 121.509 120.300 0.048 0.000 2.483 604 Y HA -0.079 4.473 4.550 0.002 0.000 0.291 604 Y C 2.393 178.304 175.900 0.019 0.000 1.143 604 Y CA 0.638 58.760 58.100 0.036 0.000 1.289 604 Y CB -0.644 37.827 38.460 0.018 0.000 0.983 604 Y HN 0.154 nan 8.280 nan 0.000 0.556 605 A N -0.019 122.895 122.820 0.156 0.000 1.930 605 A HA -0.184 4.137 4.320 0.002 0.000 0.217 605 A C 2.318 179.965 177.584 0.106 0.000 1.175 605 A CA 1.578 53.674 52.037 0.097 0.000 0.627 605 A CB -0.412 18.630 19.000 0.070 0.000 0.815 605 A HN 0.378 nan 8.150 nan 0.000 0.443 606 R N -1.449 119.116 120.500 0.107 0.000 2.119 606 R HA -0.024 4.318 4.340 0.002 0.000 0.222 606 R C 2.193 178.580 176.300 0.145 0.000 1.088 606 R CA 1.439 57.610 56.100 0.118 0.000 0.984 606 R CB -0.380 29.977 30.300 0.096 0.000 0.884 606 R HN 0.483 nan 8.270 nan 0.000 0.447 607 T N 0.972 115.618 114.554 0.153 0.000 2.746 607 T HA -0.118 4.233 4.350 0.002 0.000 0.267 607 T C 1.015 175.796 174.700 0.134 0.000 1.039 607 T CA 1.436 63.635 62.100 0.165 0.000 1.142 607 T CB -0.172 68.838 68.868 0.237 0.000 0.866 607 T HN 0.238 nan 8.240 nan 0.000 0.444 608 D N 1.057 121.539 120.400 0.136 0.000 2.144 608 D HA -0.070 4.571 4.640 0.002 0.000 0.200 608 D C 2.166 178.601 176.300 0.225 0.000 0.978 608 D CA 0.863 54.940 54.000 0.129 0.000 0.833 608 D CB -0.227 40.598 40.800 0.040 0.000 0.961 608 D HN 0.515 nan 8.370 nan 0.000 0.470 609 E N 0.528 120.866 120.200 0.231 0.000 2.070 609 E HA -0.167 4.184 4.350 0.002 0.000 0.197 609 E C 2.168 179.060 176.600 0.487 0.000 1.004 609 E CA 0.880 57.476 56.400 0.327 0.000 0.805 609 E CB -0.165 29.701 29.700 0.277 0.000 0.744 609 E HN 0.471 nan 8.360 nan 0.000 0.451 610 I N -3.038 117.749 120.570 0.363 0.000 3.735 610 I HA 0.280 4.451 4.170 0.002 0.000 0.310 610 I C 1.004 177.347 176.117 0.375 0.000 1.270 610 I CA 0.463 62.021 61.300 0.431 0.000 1.207 610 I CB -0.129 37.977 38.000 0.177 0.000 1.013 610 I HN 0.084 nan 8.210 nan 0.000 0.452 611 G N 1.932 110.871 108.800 0.232 0.000 2.221 611 G HA2 -0.221 3.740 3.960 0.002 0.000 0.265 611 G HA3 -0.221 3.740 3.960 0.002 0.000 0.265 611 G C 0.128 175.057 174.900 0.048 0.000 1.041 611 G CA 0.200 45.357 45.100 0.095 0.000 0.807 611 G HN 0.329 nan 8.290 nan 0.000 0.502 612 V N 0.440 120.303 119.914 -0.085 0.000 2.493 612 V HA 0.320 4.441 4.120 0.002 0.000 0.292 612 V C 2.057 178.045 176.094 -0.177 0.000 1.016 612 V CA 0.856 63.007 62.300 -0.249 0.000 1.097 612 V CB 0.298 31.933 31.823 -0.314 0.000 0.947 612 V HN 0.995 nan 8.190 nan 0.000 0.479 613 A N 4.926 127.594 122.820 -0.253 0.000 1.884 613 A HA -0.093 4.228 4.320 0.002 0.000 0.219 613 A C 0.865 177.945 177.584 -0.839 0.000 1.197 613 A CA 1.994 53.678 52.037 -0.589 0.000 0.637 613 A CB -0.300 18.270 19.000 -0.717 0.000 0.827 613 A HN 0.663 nan 8.150 nan 0.000 0.450 614 F N -2.987 116.971 119.950 0.014 0.000 3.043 614 F HA 0.671 5.199 4.527 0.002 0.000 0.357 614 F C 0.539 176.390 175.800 0.084 0.000 1.302 614 F CA -0.598 57.397 58.000 -0.008 0.000 1.069 614 F CB 0.517 39.530 39.000 0.021 0.000 1.539 614 F HN 0.338 nan 8.300 nan 0.000 0.505 615 G N -0.199 108.819 108.800 0.363 0.000 2.433 615 G HA2 0.496 4.457 3.960 0.002 0.000 0.306 615 G HA3 0.496 4.457 3.960 0.002 0.000 0.306 615 G C -2.657 172.433 174.900 0.318 0.000 1.627 615 G CA -0.652 44.692 45.100 0.406 0.000 0.893 615 G HN 0.439 nan 8.290 nan 0.000 0.648 616 V N 1.453 121.545 119.914 0.296 0.000 2.448 616 V HA 0.630 4.751 4.120 0.002 0.000 0.295 616 V C 0.239 176.464 176.094 0.218 0.000 1.025 616 V CA -0.584 61.836 62.300 0.199 0.000 0.859 616 V CB 1.794 33.684 31.823 0.111 0.000 0.988 616 V HN 0.802 nan 8.190 nan 0.000 0.431 617 T N 6.614 121.289 114.554 0.202 0.000 2.744 617 T HA 0.572 4.923 4.350 0.002 0.000 0.291 617 T C -0.072 174.669 174.700 0.069 0.000 0.957 617 T CA 0.017 62.221 62.100 0.173 0.000 1.002 617 T CB 0.390 69.398 68.868 0.232 0.000 0.919 617 T HN 0.405 nan 8.240 nan 0.000 0.468 618 I N 4.721 125.331 120.570 0.068 0.000 2.371 618 I HA 0.281 4.452 4.170 0.002 0.000 0.282 618 I C 0.002 176.148 176.117 0.048 0.000 1.031 618 I CA -0.834 60.470 61.300 0.007 0.000 1.180 618 I CB 0.762 38.779 38.000 0.028 0.000 1.336 618 I HN 0.675 nan 8.210 nan 0.000 0.467 619 D N 4.146 124.534 120.400 -0.020 0.000 2.595 619 D HA 0.317 4.958 4.640 0.002 0.000 0.268 619 D C 0.739 176.936 176.300 -0.173 0.000 1.181 619 D CA -0.544 53.499 54.000 0.071 0.000 1.085 619 D CB 0.478 41.403 40.800 0.209 0.000 1.186 619 D HN 0.191 nan 8.370 nan 0.000 0.621 620 F N -0.319 119.652 119.950 0.035 0.000 2.171 620 F HA 0.001 4.529 4.527 0.001 0.000 0.300 620 F C 1.678 177.384 175.800 -0.157 0.000 1.090 620 F CA 1.053 59.007 58.000 -0.077 0.000 1.293 620 F CB -0.764 38.279 39.000 0.071 0.000 1.013 620 F HN 0.231 nan 8.300 nan 0.000 0.486 621 D N -0.823 119.641 120.400 0.107 0.000 2.351 621 D HA -0.105 4.536 4.640 0.002 0.000 0.216 621 D C 1.999 178.255 176.300 -0.075 0.000 0.968 621 D CA 1.334 55.346 54.000 0.021 0.000 0.899 621 D CB -0.323 40.501 40.800 0.040 0.000 0.907 621 D HN 0.217 nan 8.370 nan 0.000 0.514 622 T N -0.997 113.444 114.554 -0.189 0.000 3.009 622 T HA 0.002 4.353 4.350 0.002 0.000 0.258 622 T C 2.049 176.497 174.700 -0.421 0.000 1.063 622 T CA 0.328 62.271 62.100 -0.263 0.000 1.139 622 T CB 0.153 68.802 68.868 -0.364 0.000 0.890 622 T HN 0.005 nan 8.240 nan 0.000 0.471 623 V N 2.154 121.648 119.914 -0.699 0.000 2.599 623 V HA 0.008 4.129 4.120 0.002 0.000 0.245 623 V C 2.184 178.208 176.094 -0.118 0.000 1.046 623 V CA 0.997 62.803 62.300 -0.822 0.000 1.065 623 V CB -0.345 30.820 31.823 -1.095 0.000 0.703 623 V HN 0.412 nan 8.190 nan 0.000 0.464 624 N N 0.045 118.709 118.700 -0.060 0.000 2.245 624 N HA 0.026 4.767 4.740 0.002 0.000 0.185 624 N C 0.912 176.446 175.510 0.039 0.000 1.036 624 N CA 0.460 53.538 53.050 0.047 0.000 0.857 624 N CB -0.047 38.477 38.487 0.061 0.000 1.015 624 N HN 0.297 nan 8.380 nan 0.000 0.436 625 K N 0.618 121.012 120.400 -0.010 0.000 2.286 625 K HA 0.168 4.489 4.320 0.002 0.000 0.256 625 K C 0.078 176.534 176.600 -0.240 0.000 0.999 625 K CA 0.350 56.594 56.287 -0.072 0.000 0.908 625 K CB 0.481 32.950 32.500 -0.052 0.000 0.981 625 K HN -0.011 nan 8.250 nan 0.000 0.500 626 T N 1.721 116.120 114.554 -0.259 0.000 3.105 626 T HA 0.448 4.799 4.350 0.002 0.000 0.321 626 T C -2.544 172.037 174.700 -0.198 0.000 1.135 626 T CA -1.631 60.218 62.100 -0.418 0.000 1.053 626 T CB 0.597 69.229 68.868 -0.393 0.000 1.133 626 T HN 0.361 nan 8.240 nan 0.000 0.463 627 P HA 0.201 nan 4.420 nan 0.000 0.267 627 P C -0.691 176.471 177.300 -0.231 0.000 1.201 627 P CA -0.175 62.819 63.100 -0.175 0.000 0.775 627 P CB 0.227 31.897 31.700 -0.049 0.000 0.854 628 H N 0.666 119.765 119.070 0.049 0.000 2.846 628 H HA 0.254 4.811 4.556 0.002 0.000 0.278 628 H C 0.339 175.681 175.328 0.025 0.000 1.117 628 H CA -0.038 56.044 56.048 0.057 0.000 1.406 628 H CB 0.024 29.915 29.762 0.215 0.000 1.445 628 H HN 0.396 nan 8.280 nan 0.000 0.469 629 T N 0.370 114.950 114.554 0.044 0.000 2.885 629 T HA 0.776 5.127 4.350 0.002 0.000 0.285 629 T C 0.184 174.842 174.700 -0.070 0.000 1.019 629 T CA -0.972 61.123 62.100 -0.007 0.000 1.010 629 T CB 2.344 71.191 68.868 -0.035 0.000 1.022 629 T HN 0.553 nan 8.240 nan 0.000 0.466 630 A N 1.751 124.526 122.820 -0.076 0.000 2.312 630 A HA 0.838 5.160 4.320 0.002 0.000 0.310 630 A C 0.097 177.587 177.584 -0.157 0.000 1.139 630 A CA -0.959 51.014 52.037 -0.105 0.000 0.886 630 A CB 0.958 19.935 19.000 -0.038 0.000 1.350 630 A HN 0.859 nan 8.150 nan 0.000 0.479 631 T N 1.256 115.727 114.554 -0.138 0.000 2.758 631 T HA 0.456 4.807 4.350 0.002 0.000 0.285 631 T C -0.791 173.925 174.700 0.027 0.000 0.981 631 T CA -0.064 61.965 62.100 -0.119 0.000 0.965 631 T CB 0.669 69.459 68.868 -0.130 0.000 0.927 631 T HN 0.478 nan 8.240 nan 0.000 0.448 632 L N 4.663 125.918 121.223 0.053 0.000 2.264 632 L HA 0.507 4.848 4.340 0.002 0.000 0.287 632 L C 0.163 177.170 176.870 0.230 0.000 1.039 632 L CA -0.418 54.491 54.840 0.114 0.000 0.829 632 L CB 0.397 42.493 42.059 0.062 0.000 1.211 632 L HN 0.515 nan 8.230 nan 0.000 0.427 633 R N 3.866 124.420 120.500 0.090 0.000 2.346 633 R HA 0.298 4.639 4.340 0.002 0.000 0.311 633 R C -0.710 175.449 176.300 -0.234 0.000 0.983 633 R CA -0.599 55.452 56.100 -0.080 0.000 0.880 633 R CB 0.887 30.970 30.300 -0.361 0.000 1.100 633 R HN 0.713 nan 8.270 nan 0.000 0.453 634 D N 3.347 123.401 120.400 -0.576 0.000 2.256 634 D HA 0.041 4.682 4.640 0.002 0.000 0.250 634 D C 0.571 176.580 176.300 -0.485 0.000 1.093 634 D CA -0.113 53.425 54.000 -0.770 0.000 0.882 634 D CB 1.355 41.097 40.800 -1.763 0.000 1.185 634 D HN 0.622 nan 8.370 nan 0.000 0.437 635 R N 3.137 123.409 120.500 -0.379 0.000 2.064 635 R HA -0.130 4.211 4.340 0.002 0.000 0.228 635 R C 1.085 177.155 176.300 -0.384 0.000 1.144 635 R CA 1.370 57.273 56.100 -0.330 0.000 0.932 635 R CB -0.097 30.056 30.300 -0.245 0.000 0.833 635 R HN 0.547 nan 8.270 nan 0.000 0.429 636 D N 0.325 120.552 120.400 -0.288 0.000 2.092 636 D HA -0.149 4.492 4.640 0.002 0.000 0.193 636 D C 1.921 178.035 176.300 -0.310 0.000 0.994 636 D CA 2.131 56.000 54.000 -0.219 0.000 0.828 636 D CB -0.198 40.566 40.800 -0.060 0.000 0.963 636 D HN 0.400 nan 8.370 nan 0.000 0.450 637 S N -0.447 115.071 115.700 -0.303 0.000 2.470 637 S HA 0.006 4.477 4.470 0.002 0.000 0.225 637 S C 1.514 175.978 174.600 -0.227 0.000 1.006 637 S CA 0.406 58.470 58.200 -0.226 0.000 0.934 637 S CB 0.128 63.231 63.200 -0.162 0.000 0.778 637 S HN 0.280 nan 8.310 nan 0.000 0.517 638 M N -0.934 118.483 119.600 -0.307 0.000 2.901 638 M HA -0.211 4.270 4.480 0.002 0.000 0.182 638 M C -0.200 176.015 176.300 -0.141 0.000 0.641 638 M CA 0.899 56.044 55.300 -0.259 0.000 0.689 638 M CB -1.381 31.082 32.600 -0.228 0.000 2.484 638 M HN 0.385 nan 8.290 nan 0.000 0.302 639 R N 1.527 121.987 120.500 -0.066 0.000 2.543 639 R HA 0.381 4.723 4.340 0.002 0.000 0.277 639 R C 0.260 176.740 176.300 0.301 0.000 1.074 639 R CA 0.175 56.366 56.100 0.151 0.000 1.076 639 R CB 0.585 31.086 30.300 0.335 0.000 0.993 639 R HN 0.361 nan 8.270 nan 0.000 0.459 640 Q N 1.183 121.178 119.800 0.324 0.000 2.385 640 Q HA 0.586 4.928 4.340 0.002 0.000 0.262 640 Q C -0.541 175.687 176.000 0.381 0.000 1.050 640 Q CA -0.988 55.049 55.803 0.390 0.000 0.903 640 Q CB 1.742 30.671 28.738 0.318 0.000 1.325 640 Q HN 0.300 nan 8.270 nan 0.000 0.485 641 I N 0.271 121.018 120.570 0.295 0.000 3.004 641 I HA 0.356 4.527 4.170 0.002 0.000 0.305 641 I C -1.408 174.749 176.117 0.066 0.000 1.312 641 I CA -0.566 60.815 61.300 0.135 0.000 0.992 641 I CB 2.450 40.417 38.000 -0.054 0.000 1.282 641 I HN 0.539 nan 8.210 nan 0.000 0.449 642 R N 3.197 123.720 120.500 0.039 0.000 2.412 642 R HA 0.792 5.134 4.340 0.002 0.000 0.304 642 R C -1.210 175.081 176.300 -0.016 0.000 1.066 642 R CA -0.255 55.805 56.100 -0.066 0.000 0.923 642 R CB 1.178 31.429 30.300 -0.081 0.000 1.156 642 R HN 0.721 nan 8.270 nan 0.000 0.513 643 A N 2.287 125.059 122.820 -0.079 0.000 2.430 643 A HA 0.475 4.796 4.320 0.002 0.000 0.300 643 A C -0.890 176.679 177.584 -0.025 0.000 1.124 643 A CA -0.759 51.257 52.037 -0.035 0.000 0.766 643 A CB 1.092 19.892 19.000 -0.334 0.000 1.328 643 A HN 0.669 nan 8.150 nan 0.000 0.424 644 E N 0.941 121.163 120.200 0.036 0.000 2.415 644 E HA 0.002 4.353 4.350 0.002 0.000 0.260 644 E C 0.696 177.312 176.600 0.027 0.000 1.016 644 E CA -0.054 56.372 56.400 0.043 0.000 0.924 644 E CB 0.379 30.119 29.700 0.067 0.000 0.961 644 E HN 0.603 nan 8.360 nan 0.000 0.459 645 I N 3.911 124.511 120.570 0.050 0.000 2.730 645 I HA -0.340 3.831 4.170 0.002 0.000 0.266 645 I C 1.896 178.039 176.117 0.043 0.000 1.228 645 I CA 1.651 62.982 61.300 0.051 0.000 1.445 645 I CB 0.037 38.107 38.000 0.117 0.000 1.102 645 I HN 0.464 nan 8.210 nan 0.000 0.464 646 S N -0.975 114.753 115.700 0.047 0.000 2.458 646 S HA -0.031 4.440 4.470 0.002 0.000 0.223 646 S C 1.642 176.259 174.600 0.028 0.000 1.019 646 S CA 0.340 58.562 58.200 0.037 0.000 0.937 646 S CB -0.126 63.099 63.200 0.041 0.000 0.788 646 S HN 0.557 nan 8.310 nan 0.000 0.511 647 E N 1.168 121.377 120.200 0.015 0.000 2.318 647 E HA 0.220 4.571 4.350 0.002 0.000 0.193 647 E C 1.793 178.348 176.600 -0.075 0.000 0.998 647 E CA 0.226 56.624 56.400 -0.003 0.000 0.859 647 E CB -0.258 29.466 29.700 0.041 0.000 0.812 647 E HN 0.421 nan 8.360 nan 0.000 0.492 648 L N 1.147 122.313 121.223 -0.094 0.000 2.051 648 L HA -0.196 4.145 4.340 0.002 0.000 0.214 648 L C -0.693 176.092 176.870 -0.141 0.000 1.076 648 L CA 1.548 56.303 54.840 -0.141 0.000 0.758 648 L CB -1.354 40.646 42.059 -0.098 0.000 0.890 648 L HN 0.132 nan 8.230 nan 0.000 0.433 649 P HA -0.198 nan 4.420 nan 0.000 0.213 649 P C 1.879 178.954 177.300 -0.375 0.000 1.170 649 P CA 2.108 65.129 63.100 -0.131 0.000 0.902 649 P CB -0.089 31.646 31.700 0.059 0.000 0.789 650 S N -1.155 114.252 115.700 -0.489 0.000 2.419 650 S HA -0.161 4.310 4.470 0.002 0.000 0.235 650 S C 1.969 176.407 174.600 -0.270 0.000 1.019 650 S CA 1.190 59.074 58.200 -0.527 0.000 0.982 650 S CB -1.672 61.362 63.200 -0.275 0.000 0.789 650 S HN 0.051 nan 8.310 nan 0.000 0.490 651 I N 1.271 121.711 120.570 -0.217 0.000 2.163 651 I HA -0.103 4.068 4.170 0.002 0.000 0.240 651 I C 2.406 178.397 176.117 -0.211 0.000 1.081 651 I CA 1.036 62.219 61.300 -0.194 0.000 1.353 651 I CB -0.519 37.320 38.000 -0.268 0.000 1.054 651 I HN 0.205 nan 8.210 nan 0.000 0.407 652 V N 0.655 120.431 119.914 -0.231 0.000 2.490 652 V HA -0.308 3.813 4.120 0.002 0.000 0.250 652 V C 2.435 178.460 176.094 -0.116 0.000 1.061 652 V CA 1.842 63.990 62.300 -0.254 0.000 1.064 652 V CB -0.833 30.902 31.823 -0.146 0.000 0.670 652 V HN 0.521 nan 8.190 nan 0.000 0.461 653 Q N 0.012 119.747 119.800 -0.108 0.000 2.020 653 Q HA -0.240 4.102 4.340 0.002 0.000 0.202 653 Q C 2.017 178.019 176.000 0.003 0.000 0.982 653 Q CA 2.047 57.829 55.803 -0.034 0.000 0.838 653 Q CB -0.120 28.554 28.738 -0.107 0.000 0.899 653 Q HN 0.626 nan 8.270 nan 0.000 0.423 654 D N 0.524 120.903 120.400 -0.034 0.000 2.144 654 D HA -0.151 4.490 4.640 0.002 0.000 0.199 654 D C 2.085 178.410 176.300 0.042 0.000 0.984 654 D CA 0.858 54.861 54.000 0.006 0.000 0.834 654 D CB -0.158 40.636 40.800 -0.009 0.000 0.955 654 D HN 0.315 nan 8.370 nan 0.000 0.465 655 L N 0.764 121.990 121.223 0.005 0.000 2.017 655 L HA -0.178 4.163 4.340 0.002 0.000 0.208 655 L C 2.564 179.594 176.870 0.267 0.000 1.073 655 L CA 1.266 56.150 54.840 0.073 0.000 0.745 655 L CB -0.347 41.574 42.059 -0.230 0.000 0.894 655 L HN -0.009 nan 8.230 nan 0.000 0.432 656 A N -0.025 122.970 122.820 0.292 0.000 1.929 656 A HA -0.172 4.150 4.320 0.002 0.000 0.216 656 A C 1.818 179.520 177.584 0.196 0.000 1.176 656 A CA 1.644 53.888 52.037 0.344 0.000 0.628 656 A CB -0.687 18.513 19.000 0.333 0.000 0.816 656 A HN 0.552 nan 8.150 nan 0.000 0.444 657 N N -0.615 118.171 118.700 0.143 0.000 2.461 657 N HA 0.234 4.975 4.740 0.002 0.000 0.188 657 N C 0.790 176.358 175.510 0.096 0.000 1.134 657 N CA 0.288 53.401 53.050 0.106 0.000 0.878 657 N CB 0.058 38.596 38.487 0.084 0.000 0.972 657 N HN 0.596 nan 8.380 nan 0.000 0.456 658 G N 1.364 110.233 108.800 0.114 0.000 2.225 658 G HA2 -0.307 3.654 3.960 0.002 0.000 0.264 658 G HA3 -0.307 3.654 3.960 0.002 0.000 0.264 658 G C 0.297 175.245 174.900 0.079 0.000 1.060 658 G CA 0.209 45.370 45.100 0.103 0.000 0.833 658 G HN 0.514 nan 8.290 nan 0.000 0.498 659 N N -1.235 117.508 118.700 0.071 0.000 2.322 659 N HA 0.364 5.105 4.740 0.002 0.000 0.181 659 N C 0.066 175.605 175.510 0.049 0.000 1.088 659 N CA 0.136 53.217 53.050 0.052 0.000 0.885 659 N CB 0.628 39.140 38.487 0.041 0.000 1.013 659 N HN 0.408 nan 8.380 nan 0.000 0.472 660 I N -0.090 120.517 120.570 0.060 0.000 2.722 660 I HA 0.140 4.311 4.170 0.002 0.000 0.295 660 I C -0.467 175.706 176.117 0.092 0.000 1.161 660 I CA -0.411 60.923 61.300 0.056 0.000 1.032 660 I CB 2.319 40.339 38.000 0.033 0.000 1.244 660 I HN -0.224 nan 8.210 nan 0.000 0.421 661 T N 4.047 118.655 114.554 0.089 0.000 2.922 661 T HA 0.045 4.396 4.350 0.002 0.000 0.285 661 T C 0.801 175.600 174.700 0.164 0.000 1.005 661 T CA -0.171 62.012 62.100 0.138 0.000 1.061 661 T CB 1.100 70.032 68.868 0.107 0.000 1.007 661 T HN 0.705 nan 8.240 nan 0.000 0.502 662 W N 1.761 123.100 121.300 0.065 0.000 2.364 662 W HA -0.155 4.506 4.660 0.002 0.000 0.281 662 W C 1.847 178.392 176.519 0.044 0.000 1.219 662 W CA 1.218 58.597 57.345 0.057 0.000 1.220 662 W CB -0.219 29.295 29.460 0.089 0.000 1.127 662 W HN 0.833 nan 8.180 nan 0.000 0.556 663 A N 0.604 123.436 122.820 0.019 0.000 1.898 663 A HA -0.220 4.101 4.320 0.002 0.000 0.216 663 A C 1.723 179.230 177.584 -0.128 0.000 1.181 663 A CA 1.855 53.848 52.037 -0.074 0.000 0.620 663 A CB -1.034 17.982 19.000 0.026 0.000 0.819 663 A HN 0.213 nan 8.150 nan 0.000 0.442 664 D N -0.042 120.316 120.400 -0.070 0.000 2.123 664 D HA -0.125 4.516 4.640 0.002 0.000 0.196 664 D C 2.108 178.350 176.300 -0.097 0.000 0.992 664 D CA 1.610 55.575 54.000 -0.059 0.000 0.833 664 D CB -0.312 40.481 40.800 -0.013 0.000 0.954 664 D HN 0.240 nan 8.370 nan 0.000 0.455 665 V N 1.511 121.314 119.914 -0.184 0.000 2.295 665 V HA -0.222 3.899 4.120 0.002 0.000 0.246 665 V C 2.234 178.191 176.094 -0.229 0.000 1.049 665 V CA 1.620 63.793 62.300 -0.212 0.000 1.024 665 V CB -0.499 31.013 31.823 -0.518 0.000 0.648 665 V HN 0.192 nan 8.190 nan 0.000 0.447 666 E N -0.019 119.912 120.200 -0.448 0.000 2.333 666 E HA -0.145 4.206 4.350 0.002 0.000 0.198 666 E C 2.124 178.637 176.600 -0.145 0.000 1.007 666 E CA 1.045 57.258 56.400 -0.312 0.000 0.845 666 E CB -0.175 29.320 29.700 -0.341 0.000 0.766 666 E HN 0.639 nan 8.360 nan 0.000 0.507 667 A N 0.850 123.595 122.820 -0.125 0.000 1.984 667 A HA -0.005 4.316 4.320 0.002 0.000 0.214 667 A C 1.975 179.492 177.584 -0.111 0.000 1.173 667 A CA 0.396 52.377 52.037 -0.093 0.000 0.673 667 A CB 0.096 19.049 19.000 -0.078 0.000 0.830 667 A HN 0.026 nan 8.150 nan 0.000 0.453 668 R N -1.820 118.601 120.500 -0.131 0.000 2.080 668 R HA 0.120 4.461 4.340 0.002 0.000 0.222 668 R C -0.276 175.745 176.300 -0.466 0.000 1.107 668 R CA 0.590 56.502 56.100 -0.314 0.000 0.980 668 R CB -0.138 29.914 30.300 -0.413 0.000 0.879 668 R HN 0.530 nan 8.270 nan 0.000 0.439 669 Y N 1.100 121.333 120.300 -0.112 0.000 2.496 669 Y HA 0.317 4.868 4.550 0.002 0.000 0.331 669 Y C -2.030 173.827 175.900 -0.073 0.000 1.140 669 Y CA -3.540 54.507 58.100 -0.089 0.000 1.166 669 Y CB 0.347 38.748 38.460 -0.100 0.000 1.249 669 Y HN -0.062 nan 8.280 nan 0.000 0.479 670 P HA 0.084 nan 4.420 nan 0.000 0.271 670 P C -0.702 176.664 177.300 0.109 0.000 1.226 670 P CA 0.123 63.272 63.100 0.081 0.000 0.765 670 P CB 0.585 32.334 31.700 0.081 0.000 0.835 671 L N 3.795 125.067 121.223 0.082 0.000 2.483 671 L HA 0.190 4.531 4.340 0.002 0.000 0.276 671 L C 0.635 177.620 176.870 0.192 0.000 1.213 671 L CA 0.176 55.079 54.840 0.105 0.000 0.843 671 L CB -0.446 41.646 42.059 0.056 0.000 1.107 671 L HN 0.347 nan 8.230 nan 0.000 0.487 672 F N 2.214 122.191 119.950 0.045 0.000 2.496 672 F HA 0.387 4.915 4.527 0.002 0.000 0.341 672 F C 0.147 175.978 175.800 0.052 0.000 1.134 672 F CA -0.726 57.303 58.000 0.048 0.000 0.968 672 F CB 1.293 40.326 39.000 0.056 0.000 1.205 672 F HN 0.469 nan 8.300 nan 0.000 0.436 673 E N 0.000 119.916 120.200 -0.473 0.000 2.725 673 E HA 0.000 4.351 4.350 0.002 0.000 0.291 673 E CA 0.000 56.179 56.400 -0.369 0.000 0.976 673 E CB 0.000 29.555 29.700 -0.242 0.000 0.812 673 E HN 0.000 nan 8.360 nan 0.000 0.440