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 2uvf_1_B DATA FIRST_RESID 36 DATA SEQUENCE DAPQQLQVPT LAYDESSIVL VWKAPEDTRK IVDYQIFSAG KLLGKASDNN DATA SEQUENCE DNFSPAKPYI DHFYVNDKDN FQHKIVMQNF TVIGLKPETS YQFTVKAQYA DATA SEQUENCE DGSLSVASKP ITAKTSAKPQ IVNVRDFGAI DDGKTLNTKA IQQAIDScKP DATA SEQUENCE GcRVEIPAGT YKSGALWLKS DMTLNLQAGA ILLGSENPDD YPAGYRLYPY DATA SEQUENCE STIERPASLI NAIDPNNSKP GTFRNIRITG SGVIDGNGWL RAKTAEITDE DATA SEQUENCE LGRSLPQYVA SKNSKVHEDG ILAKNQVEKA VSDGMDLKNA YGQRRSSLMT DATA SEQUENCE LRGVENVYLA GFTVRNPAFH GIMNLENHNV VANGLIHQTY DANNGDGIEF DATA SEQUENCE GNSQNVMVFN NFFDTGDDCI NFAAGTGEKA QEQEPMKGAW LFNNYFRMGH DATA SEQUENCE GAIVTGSHTG AWIEDILAEN NVMYLTDIGL RAKSTSTIGG GARNVTFRNN DATA SEQUENCE AMRDLAKQVM VMTLDYAXXX XXIDYPPAKI PAQFYDFTLK NVTVDNSTGK DATA SEQUENCE NPSIEIKGDT ANKAWHRLVH VNNVQLNNVT PTAISDLRDS EFNKVTFTEL DATA SEQUENCE RGDTPWHFSE VKNVKVDGKP VA 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 36 D HA 0.000 nan 4.640 nan 0.000 0.175 36 D C 0.000 176.357 176.300 0.095 0.000 2.045 36 D CA 0.000 54.056 54.000 0.094 0.000 0.868 36 D CB 0.000 40.847 40.800 0.079 0.000 0.688 37 A N 3.001 125.855 122.820 0.056 0.000 2.488 37 A HA 0.496 4.814 4.320 -0.003 0.000 0.249 37 A C -2.298 175.320 177.584 0.057 0.000 1.083 37 A CA -0.591 51.469 52.037 0.039 0.000 0.768 37 A CB -0.031 18.977 19.000 0.014 0.000 1.017 37 A HN 0.194 nan 8.150 nan 0.000 0.496 38 P HA 0.067 nan 4.420 nan 0.000 0.265 38 P C -0.505 176.830 177.300 0.059 0.000 1.187 38 P CA 0.332 63.489 63.100 0.094 0.000 0.766 38 P CB 0.418 32.127 31.700 0.015 0.000 0.820 39 Q N 2.064 121.917 119.800 0.089 0.000 2.266 39 Q HA 0.221 4.559 4.340 -0.003 0.000 0.261 39 Q C 0.164 176.202 176.000 0.065 0.000 0.985 39 Q CA -0.538 55.295 55.803 0.051 0.000 0.873 39 Q CB 1.343 30.092 28.738 0.019 0.000 1.306 39 Q HN 0.431 nan 8.270 nan 0.000 0.447 40 Q N 0.222 120.042 119.800 0.034 0.000 2.463 40 Q HA -0.219 4.119 4.340 -0.003 0.000 0.299 40 Q C -0.382 175.680 176.000 0.104 0.000 1.353 40 Q CA 0.042 55.864 55.803 0.033 0.000 0.828 40 Q CB -1.519 27.195 28.738 -0.041 0.000 1.157 40 Q HN 0.463 nan 8.270 nan 0.000 0.436 41 L N 1.719 123.015 121.223 0.122 0.000 2.525 41 L HA 0.001 4.339 4.340 -0.003 0.000 0.278 41 L C 0.411 177.353 176.870 0.119 0.000 1.218 41 L CA 1.460 56.396 54.840 0.159 0.000 0.878 41 L CB 0.355 42.473 42.059 0.099 0.000 1.127 41 L HN 0.294 nan 8.230 nan 0.000 0.492 42 Q N 2.798 122.672 119.800 0.124 0.000 2.578 42 Q HA 0.516 4.854 4.340 -0.003 0.000 0.284 42 Q C -1.859 174.176 176.000 0.058 0.000 0.960 42 Q CA -1.146 54.709 55.803 0.087 0.000 0.809 42 Q CB 1.306 30.104 28.738 0.100 0.000 1.462 42 Q HN 0.303 nan 8.270 nan 0.000 0.392 43 V N 2.123 122.060 119.914 0.038 0.000 2.383 43 V HA 0.369 4.487 4.120 -0.003 0.000 0.275 43 V C -2.098 174.036 176.094 0.066 0.000 1.036 43 V CA -1.476 60.835 62.300 0.018 0.000 0.889 43 V CB 0.662 32.466 31.823 -0.032 0.000 0.985 43 V HN 0.667 nan 8.190 nan 0.000 0.459 44 P HA 0.101 nan 4.420 nan 0.000 0.269 44 P C 0.161 177.541 177.300 0.133 0.000 1.215 44 P CA -0.131 63.061 63.100 0.154 0.000 0.780 44 P CB 0.135 31.984 31.700 0.248 0.000 0.898 45 T N 3.939 118.593 114.554 0.166 0.000 2.800 45 T HA -0.031 4.317 4.350 -0.003 0.000 0.283 45 T C 1.092 175.850 174.700 0.097 0.000 0.999 45 T CA 0.461 62.656 62.100 0.160 0.000 1.176 45 T CB -0.831 68.146 68.868 0.182 0.000 0.973 45 T HN 0.395 nan 8.240 nan 0.000 0.519 46 L N 0.207 121.501 121.223 0.119 0.000 4.367 46 L HA -0.275 4.063 4.340 -0.003 0.000 0.424 46 L C 1.318 177.864 176.870 -0.541 0.000 1.152 46 L CA 0.612 55.400 54.840 -0.087 0.000 0.974 46 L CB -1.669 40.359 42.059 -0.052 0.000 2.012 46 L HN 0.784 nan 8.230 nan 0.000 0.922 47 A N 0.332 122.888 122.820 -0.441 0.000 3.074 47 A HA 0.463 4.781 4.320 -0.003 0.000 0.251 47 A C -0.018 177.451 177.584 -0.192 0.000 1.695 47 A CA 0.273 51.832 52.037 -0.798 0.000 1.343 47 A CB -0.793 18.015 19.000 -0.320 0.000 1.078 47 A HN 0.550 nan 8.150 nan 0.000 0.644 48 Y N -2.223 117.877 120.300 -0.333 0.000 2.624 48 Y HA 0.652 5.200 4.550 -0.003 0.000 0.334 48 Y C -0.773 175.082 175.900 -0.075 0.000 1.155 48 Y CA -1.174 56.844 58.100 -0.138 0.000 1.046 48 Y CB 0.929 39.350 38.460 -0.066 0.000 1.316 48 Y HN 0.299 nan 8.280 nan 0.000 0.457 49 D N -0.429 119.978 120.400 0.011 0.000 3.224 49 D HA 0.149 4.787 4.640 -0.003 0.000 0.268 49 D C 0.630 176.989 176.300 0.098 0.000 1.310 49 D CA -0.009 53.970 54.000 -0.036 0.000 1.035 49 D CB -0.158 40.626 40.800 -0.026 0.000 1.293 49 D HN 0.593 nan 8.370 nan 0.000 0.630 50 E N 0.038 120.281 120.200 0.072 0.000 2.371 50 E HA -0.017 4.331 4.350 -0.003 0.000 0.194 50 E C 0.545 177.211 176.600 0.110 0.000 1.012 50 E CA 0.992 57.452 56.400 0.100 0.000 0.860 50 E CB -0.118 29.625 29.700 0.072 0.000 0.811 50 E HN 0.355 nan 8.360 nan 0.000 0.502 51 S N -0.338 115.414 115.700 0.088 0.000 2.900 51 S HA 0.269 4.736 4.470 -0.003 0.000 0.253 51 S C 0.263 174.891 174.600 0.048 0.000 1.029 51 S CA -0.055 58.192 58.200 0.078 0.000 1.096 51 S CB 0.153 63.390 63.200 0.063 0.000 1.067 51 S HN 0.267 nan 8.310 nan 0.000 0.610 52 S N 0.455 116.186 115.700 0.051 0.000 2.567 52 S HA 0.769 5.237 4.470 -0.003 0.000 0.270 52 S C -1.519 173.101 174.600 0.034 0.000 1.152 52 S CA -0.947 57.254 58.200 0.001 0.000 0.835 52 S CB 0.870 64.043 63.200 -0.045 0.000 1.115 52 S HN 0.289 nan 8.310 nan 0.000 0.459 53 I N 1.327 121.879 120.570 -0.029 0.000 2.607 53 I HA 0.437 4.605 4.170 -0.003 0.000 0.290 53 I C -1.147 174.905 176.117 -0.109 0.000 1.129 53 I CA -0.985 60.299 61.300 -0.026 0.000 1.042 53 I CB 2.329 40.300 38.000 -0.049 0.000 1.242 53 I HN 0.561 nan 8.210 nan 0.000 0.421 54 V N 6.765 126.643 119.914 -0.060 0.000 2.481 54 V HA 0.464 4.582 4.120 -0.003 0.000 0.286 54 V C -0.071 175.989 176.094 -0.056 0.000 1.042 54 V CA -0.453 61.824 62.300 -0.038 0.000 0.928 54 V CB 1.673 33.548 31.823 0.087 0.000 0.986 54 V HN 0.425 nan 8.190 nan 0.000 0.462 55 L N 5.781 126.981 121.223 -0.039 0.000 2.346 55 L HA 0.818 5.156 4.340 -0.003 0.000 0.276 55 L C -0.372 176.494 176.870 -0.007 0.000 1.006 55 L CA -0.780 54.060 54.840 -0.000 0.000 0.817 55 L CB 1.891 43.961 42.059 0.019 0.000 1.272 55 L HN 0.591 nan 8.230 nan 0.000 0.421 56 V N -0.677 119.197 119.914 -0.066 0.000 3.001 56 V HA 0.820 4.938 4.120 -0.003 0.000 0.314 56 V C -1.401 174.687 176.094 -0.009 0.000 1.099 56 V CA -0.592 61.496 62.300 -0.353 0.000 0.989 56 V CB 1.895 33.377 31.823 -0.568 0.000 1.040 56 V HN 0.935 nan 8.190 nan 0.000 0.434 57 W N 0.329 121.539 121.300 -0.150 0.000 3.025 57 W HA 0.777 5.436 4.660 -0.003 0.000 0.343 57 W C -1.061 175.438 176.519 -0.033 0.000 1.246 57 W CA -1.153 56.142 57.345 -0.083 0.000 1.178 57 W CB 1.064 30.411 29.460 -0.188 0.000 1.463 57 W HN 0.608 nan 8.180 nan 0.000 0.578 58 K N 1.353 121.851 120.400 0.164 0.000 2.237 58 K HA 0.610 4.928 4.320 -0.003 0.000 0.270 58 K C -0.153 176.541 176.600 0.157 0.000 1.015 58 K CA -0.342 55.978 56.287 0.054 0.000 0.949 58 K CB 1.242 33.695 32.500 -0.077 0.000 0.976 58 K HN 0.577 nan 8.250 nan 0.000 0.472 59 A N 3.707 126.590 122.820 0.105 0.000 2.325 59 A HA 0.537 4.855 4.320 -0.003 0.000 0.333 59 A C -2.249 175.425 177.584 0.150 0.000 1.155 59 A CA -1.629 50.544 52.037 0.225 0.000 0.814 59 A CB 0.349 19.494 19.000 0.242 0.000 1.206 59 A HN 0.504 nan 8.150 nan 0.000 0.482 60 P HA 0.069 nan 4.420 nan 0.000 0.273 60 P C 0.495 177.848 177.300 0.089 0.000 1.250 60 P CA -0.159 63.005 63.100 0.106 0.000 0.793 60 P CB 0.709 32.480 31.700 0.119 0.000 1.011 61 E N -0.211 120.021 120.200 0.053 0.000 2.077 61 E HA -0.215 4.133 4.350 -0.003 0.000 0.193 61 E C 0.011 176.655 176.600 0.073 0.000 0.989 61 E CA 1.059 57.484 56.400 0.043 0.000 0.800 61 E CB -0.068 29.643 29.700 0.018 0.000 0.746 61 E HN 0.361 nan 8.360 nan 0.000 0.452 62 D N -0.169 120.281 120.400 0.082 0.000 2.443 62 D HA 0.050 4.688 4.640 -0.003 0.000 0.221 62 D C -0.204 176.169 176.300 0.122 0.000 1.097 62 D CA -0.122 53.937 54.000 0.098 0.000 0.865 62 D CB 1.291 42.132 40.800 0.068 0.000 1.034 62 D HN 0.074 nan 8.370 nan 0.000 0.511 63 T N 0.454 115.099 114.554 0.153 0.000 3.134 63 T HA 0.174 4.522 4.350 -0.003 0.000 0.260 63 T C 1.603 176.362 174.700 0.099 0.000 1.027 63 T CA -0.315 61.875 62.100 0.149 0.000 0.913 63 T CB 0.037 69.017 68.868 0.187 0.000 1.046 63 T HN 0.213 nan 8.240 nan 0.000 0.553 64 R N 1.660 122.208 120.500 0.079 0.000 2.119 64 R HA -0.097 4.241 4.340 -0.003 0.000 0.246 64 R C 2.107 178.427 176.300 0.033 0.000 1.146 64 R CA 1.682 57.803 56.100 0.035 0.000 0.962 64 R CB -0.151 30.168 30.300 0.032 0.000 0.863 64 R HN 0.368 nan 8.270 nan 0.000 0.442 65 K N 0.199 120.636 120.400 0.061 0.000 2.228 65 K HA 0.049 4.367 4.320 -0.003 0.000 0.202 65 K C 0.909 177.626 176.600 0.195 0.000 1.051 65 K CA 0.582 56.924 56.287 0.091 0.000 0.960 65 K CB 0.186 32.697 32.500 0.019 0.000 0.743 65 K HN 0.237 nan 8.250 nan 0.000 0.458 66 I N 2.402 123.065 120.570 0.155 0.000 2.371 66 I HA -0.031 4.137 4.170 -0.003 0.000 0.290 66 I C 1.287 177.388 176.117 -0.026 0.000 1.028 66 I CA -0.295 61.025 61.300 0.032 0.000 1.345 66 I CB 1.281 39.262 38.000 -0.032 0.000 1.407 66 I HN -0.189 nan 8.210 nan 0.000 0.501 67 V N 0.315 120.183 119.914 -0.077 0.000 3.556 67 V HA 0.464 4.582 4.120 -0.003 0.000 0.287 67 V C 0.018 176.088 176.094 -0.040 0.000 1.422 67 V CA 0.240 62.513 62.300 -0.046 0.000 1.038 67 V CB 0.371 32.176 31.823 -0.029 0.000 0.850 67 V HN 0.797 nan 8.190 nan 0.000 0.437 68 D N -1.855 118.470 120.400 -0.125 0.000 2.808 68 D HA 0.393 5.031 4.640 -0.003 0.000 0.294 68 D C -2.178 173.967 176.300 -0.260 0.000 1.278 68 D CA -0.290 53.683 54.000 -0.044 0.000 0.756 68 D CB 1.682 42.484 40.800 0.004 0.000 1.271 68 D HN 0.060 nan 8.370 nan 0.000 0.425 69 Y N 0.289 120.621 120.300 0.054 0.000 2.545 69 Y HA 0.491 5.039 4.550 -0.003 0.000 0.348 69 Y C -0.095 175.726 175.900 -0.131 0.000 1.002 69 Y CA -0.577 57.484 58.100 -0.066 0.000 1.039 69 Y CB 2.158 40.581 38.460 -0.061 0.000 1.271 69 Y HN -0.015 nan 8.280 nan 0.000 0.467 70 Q N 2.635 122.382 119.800 -0.087 0.000 2.330 70 Q HA 0.521 4.859 4.340 -0.003 0.000 0.269 70 Q C -1.522 174.161 176.000 -0.529 0.000 1.022 70 Q CA -0.932 54.696 55.803 -0.292 0.000 0.796 70 Q CB 2.610 31.204 28.738 -0.240 0.000 1.271 70 Q HN 0.465 nan 8.270 nan 0.000 0.450 71 I N 2.532 122.618 120.570 -0.808 0.000 2.392 71 I HA 0.414 4.582 4.170 -0.003 0.000 0.295 71 I C -0.775 174.814 176.117 -0.880 0.000 0.985 71 I CA -0.123 60.680 61.300 -0.828 0.000 1.221 71 I CB 0.711 37.931 38.000 -1.298 0.000 1.366 71 I HN 0.416 nan 8.210 nan 0.000 0.467 72 F N 3.078 122.918 119.950 -0.184 0.000 2.551 72 F HA 0.539 5.064 4.527 -0.003 0.000 0.316 72 F C 0.266 176.069 175.800 0.005 0.000 1.089 72 F CA -0.809 57.144 58.000 -0.079 0.000 0.915 72 F CB 2.070 41.025 39.000 -0.076 0.000 1.186 72 F HN 0.263 nan 8.300 nan 0.000 0.456 73 S N 2.117 117.912 115.700 0.158 0.000 2.474 73 S HA 0.590 5.058 4.470 -0.003 0.000 0.321 73 S C 0.117 174.711 174.600 -0.009 0.000 1.080 73 S CA -0.030 58.165 58.200 -0.008 0.000 1.106 73 S CB 0.654 63.802 63.200 -0.085 0.000 0.984 73 S HN 1.332 nan 8.310 nan 0.000 0.464 74 A N 3.384 126.167 122.820 -0.061 0.000 2.511 74 A HA -0.010 4.308 4.320 -0.003 0.000 0.297 74 A C 1.596 179.179 177.584 -0.002 0.000 1.476 74 A CA 1.229 53.241 52.037 -0.042 0.000 0.757 74 A CB -2.105 16.863 19.000 -0.053 0.000 1.072 74 A HN 2.512 nan 8.150 nan 0.000 0.413 75 G N -1.292 107.519 108.800 0.018 0.000 2.253 75 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.251 75 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.251 75 G C 0.258 175.244 174.900 0.144 0.000 0.998 75 G CA 1.258 46.364 45.100 0.009 0.000 0.621 75 G HN 1.657 nan 8.290 nan 0.000 0.524 76 K N 0.900 121.398 120.400 0.163 0.000 2.312 76 K HA 0.540 4.858 4.320 -0.003 0.000 0.287 76 K C 0.382 177.105 176.600 0.206 0.000 1.062 76 K CA -0.925 55.460 56.287 0.163 0.000 0.934 76 K CB 0.459 33.016 32.500 0.095 0.000 1.027 76 K HN 0.221 nan 8.250 nan 0.000 0.478 77 L N 6.340 127.671 121.223 0.181 0.000 2.534 77 L HA 0.021 4.359 4.340 -0.003 0.000 0.271 77 L C 0.344 177.145 176.870 -0.115 0.000 1.178 77 L CA 0.645 55.409 54.840 -0.127 0.000 0.907 77 L CB 0.337 42.339 42.059 -0.095 0.000 1.164 77 L HN 0.845 nan 8.230 nan 0.000 0.482 78 L N 4.806 125.898 121.223 -0.218 0.000 2.298 78 L HA 0.448 4.786 4.340 -0.003 0.000 0.209 78 L C 1.127 178.065 176.870 0.113 0.000 1.084 78 L CA 0.504 55.332 54.840 -0.019 0.000 0.816 78 L CB -0.463 41.584 42.059 -0.021 0.000 0.967 78 L HN 0.896 nan 8.230 nan 0.000 0.460 79 G N -0.254 108.514 108.800 -0.052 0.000 2.359 79 G HA2 0.050 4.008 3.960 -0.003 0.000 0.293 79 G HA3 0.050 4.008 3.960 -0.003 0.000 0.293 79 G C -1.575 173.389 174.900 0.107 0.000 1.300 79 G CA -0.943 44.230 45.100 0.121 0.000 0.888 79 G HN -0.123 nan 8.290 nan 0.000 0.541 80 K N 0.268 120.772 120.400 0.173 0.000 2.174 80 K HA 0.582 4.900 4.320 -0.003 0.000 0.275 80 K C 1.405 178.224 176.600 0.365 0.000 1.015 80 K CA 0.094 56.489 56.287 0.179 0.000 0.933 80 K CB 1.804 34.369 32.500 0.109 0.000 1.025 80 K HN 0.708 nan 8.250 nan 0.000 0.463 81 A N 1.971 125.040 122.820 0.414 0.000 1.908 81 A HA -0.219 4.099 4.320 -0.003 0.000 0.218 81 A C 2.149 179.918 177.584 0.308 0.000 1.181 81 A CA 2.226 54.574 52.037 0.517 0.000 0.627 81 A CB -0.819 18.574 19.000 0.655 0.000 0.818 81 A HN 0.859 nan 8.150 nan 0.000 0.445 82 S N 0.642 116.483 115.700 0.235 0.000 2.353 82 S HA -0.242 4.226 4.470 -0.003 0.000 0.222 82 S C 1.510 176.178 174.600 0.114 0.000 1.035 82 S CA 1.591 59.885 58.200 0.155 0.000 1.025 82 S CB -0.745 62.525 63.200 0.117 0.000 0.902 82 S HN 0.539 nan 8.310 nan 0.000 0.440 83 D N 1.747 122.211 120.400 0.108 0.000 2.117 83 D HA -0.109 4.529 4.640 -0.003 0.000 0.197 83 D C 2.021 178.343 176.300 0.037 0.000 0.987 83 D CA 1.042 55.081 54.000 0.065 0.000 0.829 83 D CB -0.731 40.113 40.800 0.073 0.000 0.961 83 D HN 0.534 nan 8.370 nan 0.000 0.460 84 N N 1.024 119.751 118.700 0.046 0.000 2.084 84 N HA -0.145 4.593 4.740 -0.003 0.000 0.190 84 N C 1.442 176.990 175.510 0.062 0.000 1.030 84 N CA 0.777 53.795 53.050 -0.055 0.000 0.849 84 N CB -0.096 38.080 38.487 -0.517 0.000 1.012 84 N HN 0.136 nan 8.380 nan 0.000 0.423 85 N N 1.014 119.761 118.700 0.079 0.000 2.149 85 N HA -0.150 4.588 4.740 -0.003 0.000 0.188 85 N C 0.785 176.320 175.510 0.041 0.000 1.019 85 N CA 1.104 54.209 53.050 0.092 0.000 0.857 85 N CB -0.261 38.292 38.487 0.109 0.000 0.997 85 N HN 0.343 nan 8.380 nan 0.000 0.426 86 D N 0.734 121.140 120.400 0.010 0.000 2.133 86 D HA -0.135 4.503 4.640 -0.003 0.000 0.195 86 D C 1.633 177.864 176.300 -0.116 0.000 0.997 86 D CA 0.788 54.765 54.000 -0.038 0.000 0.840 86 D CB -0.442 40.337 40.800 -0.035 0.000 0.947 86 D HN 0.287 nan 8.370 nan 0.000 0.452 87 N N -0.760 117.826 118.700 -0.191 0.000 2.135 87 N HA -0.077 4.661 4.740 -0.003 0.000 0.186 87 N C 1.262 176.412 175.510 -0.599 0.000 1.027 87 N CA 0.809 53.577 53.050 -0.470 0.000 0.849 87 N CB 0.051 38.118 38.487 -0.701 0.000 1.002 87 N HN 0.130 nan 8.380 nan 0.000 0.425 88 F N -0.296 119.603 119.950 -0.086 0.000 2.717 88 F HA 0.269 4.794 4.527 -0.003 0.000 0.297 88 F C 0.979 176.731 175.800 -0.079 0.000 1.113 88 F CA -0.240 57.710 58.000 -0.085 0.000 1.319 88 F CB 0.207 39.149 39.000 -0.097 0.000 1.097 88 F HN -0.212 nan 8.300 nan 0.000 0.595 89 S N 2.401 118.142 115.700 0.068 0.000 2.433 89 S HA 0.306 4.774 4.470 -0.003 0.000 0.310 89 S C -1.562 173.035 174.600 -0.005 0.000 1.097 89 S CA -1.658 56.560 58.200 0.030 0.000 1.103 89 S CB 1.167 64.400 63.200 0.054 0.000 0.992 89 S HN -0.133 nan 8.310 nan 0.000 0.469 90 P HA 0.059 nan 4.420 nan 0.000 0.223 90 P C 1.145 178.502 177.300 0.094 0.000 1.151 90 P CA 0.722 63.812 63.100 -0.017 0.000 0.787 90 P CB 0.008 31.655 31.700 -0.087 0.000 0.788 91 A N 0.378 123.249 122.820 0.084 0.000 1.968 91 A HA -0.133 4.185 4.320 -0.003 0.000 0.217 91 A C 2.335 180.011 177.584 0.154 0.000 1.169 91 A CA 1.686 53.817 52.037 0.158 0.000 0.638 91 A CB -0.878 18.178 19.000 0.094 0.000 0.812 91 A HN 0.046 nan 8.150 nan 0.000 0.446 92 K N 0.500 120.960 120.400 0.100 0.000 2.032 92 K HA -0.082 4.236 4.320 -0.003 0.000 0.209 92 K C -1.015 175.623 176.600 0.063 0.000 1.048 92 K CA 1.912 58.253 56.287 0.090 0.000 0.927 92 K CB -1.249 31.290 32.500 0.066 0.000 0.712 92 K HN 0.343 nan 8.250 nan 0.000 0.441 93 P HA -0.128 nan 4.420 nan 0.000 0.216 93 P C 0.759 177.968 177.300 -0.153 0.000 1.150 93 P CA 1.330 64.366 63.100 -0.106 0.000 0.837 93 P CB -0.086 31.474 31.700 -0.234 0.000 0.786 94 Y N -0.997 119.191 120.300 -0.187 0.000 2.220 94 Y HA -0.054 4.494 4.550 -0.003 0.000 0.291 94 Y C 2.385 178.154 175.900 -0.218 0.000 1.129 94 Y CA 0.811 58.651 58.100 -0.433 0.000 1.161 94 Y CB -1.030 36.737 38.460 -1.155 0.000 0.997 94 Y HN -0.164 nan 8.280 nan 0.000 0.522 95 I N 0.035 120.675 120.570 0.117 0.000 2.151 95 I HA -0.359 3.809 4.170 -0.003 0.000 0.243 95 I C 1.798 178.148 176.117 0.390 0.000 1.080 95 I CA 1.635 63.112 61.300 0.296 0.000 1.339 95 I CB -0.334 37.830 38.000 0.273 0.000 1.039 95 I HN 0.207 nan 8.210 nan 0.000 0.409 96 D N -0.493 120.079 120.400 0.287 0.000 2.117 96 D HA -0.231 4.407 4.640 -0.003 0.000 0.197 96 D C 2.045 178.521 176.300 0.294 0.000 0.987 96 D CA 1.271 55.448 54.000 0.295 0.000 0.829 96 D CB -0.530 40.363 40.800 0.156 0.000 0.961 96 D HN 0.445 nan 8.370 nan 0.000 0.460 97 H N -0.354 118.786 119.070 0.116 0.000 2.457 97 H HA -0.127 4.427 4.556 -0.003 0.000 0.294 97 H C 1.985 177.367 175.328 0.089 0.000 1.064 97 H CA 0.733 56.814 56.048 0.055 0.000 1.330 97 H CB -0.366 29.361 29.762 -0.057 0.000 1.395 97 H HN 0.146 nan 8.280 nan 0.000 0.541 98 F N 1.040 120.923 119.950 -0.111 0.000 2.202 98 F HA -0.260 4.265 4.527 -0.004 0.000 0.301 98 F C 1.234 176.814 175.800 -0.366 0.000 1.082 98 F CA 1.353 59.197 58.000 -0.261 0.000 1.313 98 F CB -0.393 38.531 39.000 -0.127 0.000 1.024 98 F HN 0.089 nan 8.300 nan 0.000 0.495 99 Y N -0.612 119.734 120.300 0.075 0.000 2.511 99 Y HA 0.152 4.700 4.550 -0.003 0.000 0.279 99 Y C 2.272 178.112 175.900 -0.099 0.000 1.157 99 Y CA 0.476 58.578 58.100 0.003 0.000 1.300 99 Y CB -0.958 37.580 38.460 0.131 0.000 1.052 99 Y HN 0.063 nan 8.280 nan 0.000 0.529 100 V N 0.078 119.944 119.914 -0.080 0.000 2.688 100 V HA -0.280 3.838 4.120 -0.003 0.000 0.256 100 V C 1.277 177.307 176.094 -0.106 0.000 1.084 100 V CA 2.639 64.881 62.300 -0.097 0.000 1.103 100 V CB -0.409 31.320 31.823 -0.157 0.000 0.688 100 V HN 0.488 nan 8.190 nan 0.000 0.480 101 N N -0.555 118.045 118.700 -0.167 0.000 2.197 101 N HA 0.139 4.877 4.740 -0.003 0.000 0.228 101 N C -0.333 175.119 175.510 -0.097 0.000 1.212 101 N CA -0.024 52.955 53.050 -0.118 0.000 0.883 101 N CB 0.506 38.914 38.487 -0.131 0.000 1.107 101 N HN 0.561 nan 8.380 nan 0.000 0.519 102 D N 2.049 122.405 120.400 -0.074 0.000 2.441 102 D HA 0.037 4.675 4.640 -0.003 0.000 0.243 102 D C -0.586 175.745 176.300 0.050 0.000 1.257 102 D CA 0.482 54.483 54.000 0.002 0.000 1.027 102 D CB 0.073 40.928 40.800 0.092 0.000 1.084 102 D HN -0.178 nan 8.370 nan 0.000 0.514 103 K N 2.361 122.776 120.400 0.025 0.000 2.270 103 K HA 0.289 4.607 4.320 -0.003 0.000 0.255 103 K C -0.987 175.642 176.600 0.048 0.000 0.936 103 K CA -0.756 55.556 56.287 0.041 0.000 0.809 103 K CB 1.640 34.152 32.500 0.019 0.000 1.131 103 K HN 0.266 nan 8.250 nan 0.000 0.427 104 D N 1.681 122.132 120.400 0.085 0.000 2.540 104 D HA 0.179 4.817 4.640 -0.003 0.000 0.251 104 D C -0.468 175.906 176.300 0.124 0.000 1.159 104 D CA -0.128 53.925 54.000 0.088 0.000 0.974 104 D CB -0.368 40.476 40.800 0.074 0.000 0.996 104 D HN 0.460 nan 8.370 nan 0.000 0.512 105 N N 1.105 119.884 118.700 0.130 0.000 2.714 105 N HA -0.270 4.468 4.740 -0.003 0.000 0.252 105 N C 0.081 175.701 175.510 0.182 0.000 1.014 105 N CA -0.167 52.967 53.050 0.141 0.000 0.735 105 N CB -0.505 38.030 38.487 0.080 0.000 0.924 105 N HN 0.438 nan 8.380 nan 0.000 0.540 106 F N 0.943 120.941 119.950 0.080 0.000 2.234 106 F HA 0.032 4.557 4.527 -0.003 0.000 0.296 106 F C 1.380 177.262 175.800 0.136 0.000 1.089 106 F CA 0.914 58.965 58.000 0.086 0.000 1.343 106 F CB 0.268 39.303 39.000 0.059 0.000 1.040 106 F HN 0.108 nan 8.300 nan 0.000 0.498 107 Q N 1.406 121.397 119.800 0.319 0.000 2.313 107 Q HA -0.031 4.307 4.340 -0.003 0.000 0.266 107 Q C -0.772 175.413 176.000 0.308 0.000 0.989 107 Q CA 0.018 56.026 55.803 0.341 0.000 0.890 107 Q CB 0.452 29.497 28.738 0.512 0.000 1.200 107 Q HN 0.419 nan 8.270 nan 0.000 0.396 108 H N 2.302 121.480 119.070 0.181 0.000 3.125 108 H HA -0.034 4.520 4.556 -0.003 0.000 0.310 108 H C -0.425 175.088 175.328 0.309 0.000 0.980 108 H CA 0.796 56.946 56.048 0.170 0.000 1.422 108 H CB 0.412 30.239 29.762 0.108 0.000 1.432 108 H HN 0.184 nan 8.280 nan 0.000 0.577 109 K N 7.352 127.572 120.400 -0.301 0.000 2.262 109 K HA 0.198 4.516 4.320 -0.003 0.000 0.282 109 K C -0.008 176.503 176.600 -0.148 0.000 1.066 109 K CA -0.531 55.618 56.287 -0.230 0.000 0.901 109 K CB 0.886 33.190 32.500 -0.326 0.000 1.089 109 K HN 0.566 nan 8.250 nan 0.000 0.476 110 I N 0.064 120.724 120.570 0.149 0.000 2.713 110 I HA 0.389 4.557 4.170 -0.003 0.000 0.300 110 I C 0.175 176.391 176.117 0.166 0.000 1.009 110 I CA -1.008 60.446 61.300 0.256 0.000 1.305 110 I CB 1.140 39.321 38.000 0.302 0.000 1.430 110 I HN 0.267 nan 8.210 nan 0.000 0.546 111 V N 2.405 122.446 119.914 0.212 0.000 2.881 111 V HA 0.571 4.689 4.120 -0.003 0.000 0.316 111 V C -0.059 176.181 176.094 0.244 0.000 1.070 111 V CA -0.974 61.468 62.300 0.236 0.000 0.976 111 V CB 1.824 33.836 31.823 0.315 0.000 1.038 111 V HN 0.786 nan 8.190 nan 0.000 0.446 112 M N 2.674 122.445 119.600 0.285 0.000 2.180 112 M HA 0.455 4.933 4.480 -0.003 0.000 0.358 112 M C 0.134 176.484 176.300 0.082 0.000 1.233 112 M CA 0.472 55.899 55.300 0.211 0.000 1.114 112 M CB 0.831 33.584 32.600 0.255 0.000 1.594 112 M HN 0.872 nan 8.290 nan 0.000 0.467 113 Q N 1.805 121.415 119.800 -0.317 0.000 2.135 113 Q HA 0.202 4.540 4.340 -0.003 0.000 0.222 113 Q C -0.428 174.543 176.000 -1.715 0.000 0.808 113 Q CA -0.221 54.842 55.803 -1.233 0.000 1.049 113 Q CB 0.696 28.850 28.738 -0.974 0.000 1.168 113 Q HN 0.727 nan 8.270 nan 0.000 0.483 114 N N -0.446 117.705 118.700 -0.915 0.000 2.329 114 N HA 0.436 5.174 4.740 -0.003 0.000 0.282 114 N C -1.671 173.893 175.510 0.090 0.000 1.198 114 N CA -0.533 52.209 53.050 -0.513 0.000 0.790 114 N CB 2.021 40.303 38.487 -0.341 0.000 1.579 114 N HN -0.039 nan 8.380 nan 0.000 0.475 115 F N 0.366 120.342 119.950 0.044 0.000 2.630 115 F HA 0.351 4.876 4.527 -0.003 0.000 0.325 115 F C -1.281 174.486 175.800 -0.055 0.000 1.184 115 F CA -0.169 57.895 58.000 0.107 0.000 1.011 115 F CB 2.024 41.156 39.000 0.220 0.000 1.268 115 F HN 0.433 nan 8.300 nan 0.000 0.480 116 T N 5.673 119.972 114.554 -0.425 0.000 2.749 116 T HA 0.510 4.858 4.350 -0.003 0.000 0.287 116 T C -0.769 173.590 174.700 -0.569 0.000 0.970 116 T CA -0.503 61.281 62.100 -0.527 0.000 0.980 116 T CB 1.339 69.670 68.868 -0.895 0.000 0.924 116 T HN 0.304 nan 8.240 nan 0.000 0.456 117 V N 6.274 126.037 119.914 -0.251 0.000 2.328 117 V HA 0.498 4.616 4.120 -0.003 0.000 0.278 117 V C 0.346 176.360 176.094 -0.133 0.000 1.021 117 V CA -0.730 61.524 62.300 -0.076 0.000 0.838 117 V CB 0.042 31.852 31.823 -0.022 0.000 0.999 117 V HN 0.817 nan 8.190 nan 0.000 0.447 118 I N 1.165 121.681 120.570 -0.089 0.000 3.436 118 I HA 0.982 5.150 4.170 -0.003 0.000 0.296 118 I C 1.009 177.136 176.117 0.018 0.000 1.143 118 I CA -0.604 60.676 61.300 -0.033 0.000 1.009 118 I CB 1.836 39.850 38.000 0.022 0.000 1.301 118 I HN 0.722 nan 8.210 nan 0.000 0.503 119 G N 1.350 110.174 108.800 0.039 0.000 2.176 119 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.252 119 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.252 119 G C -0.273 174.657 174.900 0.049 0.000 1.024 119 G CA 0.369 45.500 45.100 0.052 0.000 0.755 119 G HN 0.551 nan 8.290 nan 0.000 0.507 120 L N -1.032 120.213 121.223 0.036 0.000 2.416 120 L HA 0.610 4.948 4.340 -0.003 0.000 0.263 120 L C 0.870 177.830 176.870 0.151 0.000 1.065 120 L CA -0.944 53.936 54.840 0.066 0.000 0.798 120 L CB 0.789 42.820 42.059 -0.046 0.000 1.267 120 L HN -0.065 nan 8.230 nan 0.000 0.467 121 K N 0.768 121.322 120.400 0.258 0.000 2.138 121 K HA 0.417 4.735 4.320 -0.003 0.000 0.263 121 K C -2.447 174.265 176.600 0.186 0.000 0.965 121 K CA -1.787 54.616 56.287 0.193 0.000 0.868 121 K CB 1.685 34.289 32.500 0.173 0.000 1.083 121 K HN 0.175 nan 8.250 nan 0.000 0.443 122 P HA -0.042 nan 4.420 nan 0.000 0.267 122 P C -0.827 176.536 177.300 0.105 0.000 1.200 122 P CA 0.373 63.542 63.100 0.114 0.000 0.772 122 P CB 0.270 32.019 31.700 0.081 0.000 0.855 123 E N -1.214 119.052 120.200 0.110 0.000 2.328 123 E HA -0.189 4.159 4.350 -0.003 0.000 0.233 123 E C -0.762 175.865 176.600 0.045 0.000 1.219 123 E CA 0.802 57.250 56.400 0.080 0.000 0.717 123 E CB -1.657 28.077 29.700 0.056 0.000 1.210 123 E HN 0.400 nan 8.360 nan 0.000 0.381 124 T N 0.358 114.948 114.554 0.060 0.000 2.881 124 T HA 0.322 4.670 4.350 -0.003 0.000 0.291 124 T C -0.218 174.389 174.700 -0.155 0.000 0.990 124 T CA -0.651 61.404 62.100 -0.075 0.000 0.976 124 T CB 1.725 70.541 68.868 -0.086 0.000 0.970 124 T HN -0.028 nan 8.240 nan 0.000 0.438 125 S N 2.645 118.206 115.700 -0.233 0.000 2.565 125 S HA 0.535 5.003 4.470 -0.003 0.000 0.276 125 S C -0.968 173.356 174.600 -0.461 0.000 1.326 125 S CA -0.342 57.740 58.200 -0.197 0.000 1.045 125 S CB 0.185 63.309 63.200 -0.126 0.000 0.918 125 S HN 0.551 nan 8.310 nan 0.000 0.505 126 Y N 0.595 120.829 120.300 -0.109 0.000 2.524 126 Y HA 0.415 4.963 4.550 -0.003 0.000 0.347 126 Y C 0.119 175.747 175.900 -0.454 0.000 1.005 126 Y CA -0.838 57.071 58.100 -0.318 0.000 1.025 126 Y CB 1.475 39.685 38.460 -0.415 0.000 1.275 126 Y HN 0.482 nan 8.280 nan 0.000 0.460 127 Q N 2.538 122.096 119.800 -0.404 0.000 2.266 127 Q HA 0.593 4.931 4.340 -0.003 0.000 0.261 127 Q C -2.036 173.599 176.000 -0.609 0.000 0.985 127 Q CA -0.481 55.125 55.803 -0.328 0.000 0.873 127 Q CB 1.385 30.026 28.738 -0.162 0.000 1.306 127 Q HN 0.693 nan 8.270 nan 0.000 0.447 128 F N 0.095 120.071 119.950 0.044 0.000 2.601 128 F HA 0.478 5.003 4.527 -0.003 0.000 0.309 128 F C -0.033 175.767 175.800 -0.000 0.000 1.089 128 F CA -0.524 57.489 58.000 0.022 0.000 0.940 128 F CB 2.440 41.443 39.000 0.005 0.000 1.273 128 F HN 0.531 nan 8.300 nan 0.000 0.450 129 T N -1.002 113.666 114.554 0.190 0.000 2.883 129 T HA 0.814 5.162 4.350 -0.003 0.000 0.296 129 T C -1.666 173.073 174.700 0.064 0.000 1.117 129 T CA -0.987 61.162 62.100 0.082 0.000 1.006 129 T CB 1.836 70.714 68.868 0.015 0.000 1.191 129 T HN 0.660 nan 8.240 nan 0.000 0.508 130 V N 0.477 120.352 119.914 -0.065 0.000 2.841 130 V HA 0.734 4.852 4.120 -0.003 0.000 0.310 130 V C -1.625 174.410 176.094 -0.099 0.000 1.090 130 V CA -0.818 61.354 62.300 -0.213 0.000 0.930 130 V CB 2.011 33.376 31.823 -0.764 0.000 1.014 130 V HN 0.989 nan 8.190 nan 0.000 0.425 131 K N 4.413 124.817 120.400 0.006 0.000 2.324 131 K HA 0.789 5.107 4.320 -0.003 0.000 0.253 131 K C -0.443 176.114 176.600 -0.072 0.000 0.932 131 K CA -0.492 55.793 56.287 -0.004 0.000 0.799 131 K CB 2.169 34.704 32.500 0.059 0.000 1.154 131 K HN 0.890 nan 8.250 nan 0.000 0.425 132 A N 2.353 125.047 122.820 -0.210 0.000 2.477 132 A HA 0.024 4.342 4.320 -0.003 0.000 0.246 132 A C -0.262 176.890 177.584 -0.719 0.000 1.078 132 A CA 0.137 51.782 52.037 -0.654 0.000 0.770 132 A CB 0.251 18.871 19.000 -0.634 0.000 1.011 132 A HN 0.730 nan 8.150 nan 0.000 0.494 133 Q N 1.880 121.268 119.800 -0.687 0.000 2.322 133 Q HA 0.516 4.854 4.340 -0.003 0.000 0.265 133 Q C -1.578 174.138 176.000 -0.473 0.000 0.985 133 Q CA -0.494 55.022 55.803 -0.478 0.000 0.849 133 Q CB 0.708 29.301 28.738 -0.240 0.000 1.274 133 Q HN 0.703 nan 8.270 nan 0.000 0.449 134 Y N 1.002 121.249 120.300 -0.088 0.000 2.408 134 Y HA 0.381 4.929 4.550 -0.003 0.000 0.324 134 Y C 1.163 177.032 175.900 -0.051 0.000 1.302 134 Y CA -0.306 57.752 58.100 -0.071 0.000 1.384 134 Y CB 0.774 39.203 38.460 -0.052 0.000 1.367 134 Y HN 0.802 nan 8.280 nan 0.000 0.525 135 A N 0.178 123.084 122.820 0.145 0.000 2.248 135 A HA -0.102 4.216 4.320 -0.003 0.000 0.210 135 A C 0.796 178.409 177.584 0.049 0.000 1.174 135 A CA 1.443 53.516 52.037 0.060 0.000 0.750 135 A CB -1.007 18.015 19.000 0.037 0.000 0.780 135 A HN 0.756 nan 8.150 nan 0.000 0.478 136 D N -3.659 116.784 120.400 0.072 0.000 2.501 136 D HA 0.329 4.967 4.640 -0.003 0.000 0.224 136 D C 1.007 177.338 176.300 0.052 0.000 1.202 136 D CA 0.516 54.546 54.000 0.049 0.000 0.829 136 D CB -0.470 40.352 40.800 0.037 0.000 1.023 136 D HN 0.534 nan 8.370 nan 0.000 0.499 137 G N 0.416 109.248 108.800 0.054 0.000 2.179 137 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.260 137 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.260 137 G C 0.469 175.396 174.900 0.045 0.000 0.977 137 G CA 0.452 45.573 45.100 0.035 0.000 0.641 137 G HN 0.888 nan 8.290 nan 0.000 0.533 138 S N -0.161 115.594 115.700 0.091 0.000 2.617 138 S HA 0.784 5.252 4.470 -0.003 0.000 0.269 138 S C 0.162 174.815 174.600 0.087 0.000 1.292 138 S CA -0.634 57.636 58.200 0.115 0.000 1.010 138 S CB 2.026 65.322 63.200 0.159 0.000 0.944 138 S HN 0.644 nan 8.310 nan 0.000 0.536 139 L N 2.011 123.262 121.223 0.048 0.000 2.333 139 L HA 0.530 4.868 4.340 -0.003 0.000 0.269 139 L C 0.762 177.631 176.870 -0.002 0.000 1.010 139 L CA -0.834 53.968 54.840 -0.064 0.000 0.818 139 L CB 2.239 44.286 42.059 -0.021 0.000 1.306 139 L HN 1.010 nan 8.230 nan 0.000 0.430 140 S N 0.859 116.488 115.700 -0.118 0.000 2.634 140 S HA 0.440 4.908 4.470 -0.003 0.000 0.261 140 S C 0.124 174.721 174.600 -0.006 0.000 1.271 140 S CA -0.855 57.363 58.200 0.029 0.000 0.985 140 S CB 1.292 64.478 63.200 -0.024 0.000 0.968 140 S HN 0.430 nan 8.310 nan 0.000 0.568 141 V N -0.628 119.292 119.914 0.011 0.000 2.999 141 V HA 0.578 4.696 4.120 -0.003 0.000 0.307 141 V C 0.830 176.894 176.094 -0.051 0.000 1.084 141 V CA -0.623 61.659 62.300 -0.029 0.000 1.155 141 V CB -1.168 30.646 31.823 -0.015 0.000 0.975 141 V HN 1.223 nan 8.190 nan 0.000 0.490 142 A N 3.934 126.701 122.820 -0.090 0.000 2.498 142 A HA 0.467 4.785 4.320 -0.003 0.000 0.239 142 A C 1.003 178.553 177.584 -0.056 0.000 1.068 142 A CA 0.452 52.431 52.037 -0.097 0.000 0.766 142 A CB -0.406 18.507 19.000 -0.145 0.000 1.003 142 A HN 1.992 nan 8.150 nan 0.000 0.497 143 S N 2.655 118.325 115.700 -0.050 0.000 2.553 143 S HA 0.053 4.521 4.470 -0.003 0.000 0.271 143 S C 0.215 174.800 174.600 -0.024 0.000 1.362 143 S CA 0.296 58.477 58.200 -0.033 0.000 1.010 143 S CB 0.040 63.209 63.200 -0.050 0.000 0.865 143 S HN 0.663 nan 8.310 nan 0.000 0.543 144 K N 2.253 122.647 120.400 -0.010 0.000 2.527 144 K HA 0.133 4.451 4.320 -0.003 0.000 0.278 144 K C -2.046 174.558 176.600 0.006 0.000 0.981 144 K CA -0.815 55.469 56.287 -0.005 0.000 1.009 144 K CB -0.044 32.457 32.500 0.002 0.000 0.895 144 K HN 0.576 nan 8.250 nan 0.000 0.493 145 P HA 0.180 nan 4.420 nan 0.000 0.276 145 P C -0.671 176.657 177.300 0.047 0.000 1.244 145 P CA -0.296 62.819 63.100 0.026 0.000 0.801 145 P CB 0.524 32.225 31.700 0.003 0.000 1.006 146 I N -2.668 117.957 120.570 0.091 0.000 2.892 146 I HA 0.665 4.833 4.170 -0.003 0.000 0.306 146 I C -0.773 175.414 176.117 0.117 0.000 1.078 146 I CA -0.736 60.626 61.300 0.103 0.000 1.032 146 I CB 2.381 40.456 38.000 0.125 0.000 1.229 146 I HN 0.035 nan 8.210 nan 0.000 0.435 147 T N 3.370 117.973 114.554 0.083 0.000 2.807 147 T HA 0.788 5.136 4.350 -0.003 0.000 0.279 147 T C -0.508 174.250 174.700 0.097 0.000 0.993 147 T CA -0.514 61.627 62.100 0.068 0.000 0.970 147 T CB 1.494 70.367 68.868 0.008 0.000 0.950 147 T HN 0.868 nan 8.240 nan 0.000 0.441 148 A N 3.184 126.103 122.820 0.165 0.000 2.393 148 A HA 0.772 5.090 4.320 -0.003 0.000 0.306 148 A C -0.675 176.991 177.584 0.136 0.000 1.050 148 A CA -0.831 51.287 52.037 0.135 0.000 0.724 148 A CB 1.405 20.546 19.000 0.234 0.000 1.248 148 A HN 0.684 nan 8.150 nan 0.000 0.424 149 K N 1.759 122.161 120.400 0.002 0.000 2.323 149 K HA 0.504 4.822 4.320 -0.003 0.000 0.259 149 K C 0.202 176.838 176.600 0.061 0.000 0.947 149 K CA -0.302 56.014 56.287 0.049 0.000 0.819 149 K CB 1.096 33.602 32.500 0.011 0.000 1.109 149 K HN 0.891 nan 8.250 nan 0.000 0.429 150 T N 0.204 114.887 114.554 0.215 0.000 2.795 150 T HA 0.072 4.420 4.350 -0.003 0.000 0.314 150 T C 0.668 175.534 174.700 0.276 0.000 1.069 150 T CA -0.720 61.555 62.100 0.291 0.000 1.071 150 T CB 0.836 69.870 68.868 0.277 0.000 0.988 150 T HN 0.552 nan 8.240 nan 0.000 0.543 151 S N 0.530 116.417 115.700 0.311 0.000 2.681 151 S HA 0.675 5.143 4.470 -0.003 0.000 0.270 151 S C 0.487 175.165 174.600 0.130 0.000 1.209 151 S CA -0.776 57.554 58.200 0.216 0.000 0.988 151 S CB 0.441 63.728 63.200 0.145 0.000 1.006 151 S HN 1.231 nan 8.310 nan 0.000 0.558 152 A N 0.946 123.823 122.820 0.096 0.000 2.386 152 A HA 0.393 4.711 4.320 -0.003 0.000 0.246 152 A C 0.492 178.110 177.584 0.057 0.000 1.089 152 A CA -0.357 51.721 52.037 0.070 0.000 0.790 152 A CB -0.169 18.865 19.000 0.057 0.000 1.042 152 A HN 0.669 nan 8.150 nan 0.000 0.497 153 K N 1.510 121.940 120.400 0.050 0.000 2.472 153 K HA 0.153 4.471 4.320 -0.003 0.000 0.280 153 K C -2.085 174.534 176.600 0.032 0.000 1.028 153 K CA -1.252 55.060 56.287 0.040 0.000 1.045 153 K CB 0.042 32.564 32.500 0.038 0.000 0.902 153 K HN 0.527 nan 8.250 nan 0.000 0.478 154 P HA 0.059 nan 4.420 nan 0.000 0.274 154 P C -0.578 176.735 177.300 0.022 0.000 1.237 154 P CA -0.476 62.636 63.100 0.020 0.000 0.793 154 P CB 0.519 32.224 31.700 0.009 0.000 0.977 155 Q N 1.564 121.377 119.800 0.022 0.000 2.255 155 Q HA 0.083 4.421 4.340 -0.003 0.000 0.280 155 Q C -0.603 175.411 176.000 0.023 0.000 1.068 155 Q CA 0.020 55.839 55.803 0.026 0.000 0.911 155 Q CB 0.073 28.828 28.738 0.029 0.000 1.157 155 Q HN 0.288 nan 8.270 nan 0.000 0.380 156 I N 5.607 126.193 120.570 0.028 0.000 2.304 156 I HA 0.185 4.353 4.170 -0.003 0.000 0.291 156 I C -0.282 175.861 176.117 0.043 0.000 1.018 156 I CA -0.471 60.845 61.300 0.026 0.000 1.260 156 I CB 1.151 39.165 38.000 0.024 0.000 1.390 156 I HN 0.382 nan 8.210 nan 0.000 0.475 157 V N 7.108 127.044 119.914 0.037 0.000 2.334 157 V HA 0.297 4.415 4.120 -0.003 0.000 0.281 157 V C 0.330 176.456 176.094 0.054 0.000 1.016 157 V CA -0.745 61.600 62.300 0.075 0.000 0.832 157 V CB 1.580 33.421 31.823 0.031 0.000 0.999 157 V HN 0.640 nan 8.190 nan 0.000 0.439 158 N N 3.401 122.166 118.700 0.109 0.000 2.434 158 N HA 0.146 4.883 4.740 -0.003 0.000 0.272 158 N C 1.065 176.659 175.510 0.140 0.000 1.040 158 N CA -0.174 52.919 53.050 0.072 0.000 0.956 158 N CB 2.174 40.697 38.487 0.060 0.000 1.108 158 N HN 0.523 nan 8.380 nan 0.000 0.481 159 V N 3.363 123.280 119.914 0.005 0.000 2.720 159 V HA -0.131 3.987 4.120 -0.003 0.000 0.256 159 V C 1.931 178.092 176.094 0.112 0.000 1.082 159 V CA 1.303 63.603 62.300 0.001 0.000 1.101 159 V CB -0.422 31.277 31.823 -0.205 0.000 0.693 159 V HN 0.572 nan 8.190 nan 0.000 0.479 160 R N 0.432 120.975 120.500 0.071 0.000 2.152 160 R HA -0.122 4.216 4.340 -0.003 0.000 0.232 160 R C 1.803 178.158 176.300 0.092 0.000 1.117 160 R CA 1.700 57.858 56.100 0.097 0.000 0.981 160 R CB -0.480 29.870 30.300 0.083 0.000 0.870 160 R HN 0.527 nan 8.270 nan 0.000 0.451 161 D N -0.530 119.933 120.400 0.105 0.000 2.371 161 D HA -0.089 4.549 4.640 -0.003 0.000 0.221 161 D C 0.486 176.616 176.300 -0.282 0.000 0.986 161 D CA 0.982 54.938 54.000 -0.073 0.000 0.899 161 D CB 0.064 40.797 40.800 -0.112 0.000 0.902 161 D HN 0.209 nan 8.370 nan 0.000 0.530 162 F N -1.140 118.803 119.950 -0.012 0.000 2.661 162 F HA 0.322 4.847 4.527 -0.003 0.000 0.306 162 F C 1.632 177.431 175.800 -0.001 0.000 1.094 162 F CA -0.176 57.818 58.000 -0.010 0.000 1.254 162 F CB 1.031 40.019 39.000 -0.020 0.000 1.040 162 F HN -0.036 nan 8.300 nan 0.000 0.562 163 G N 0.802 109.675 108.800 0.122 0.000 2.134 163 G HA2 -0.096 3.861 3.960 -0.003 0.000 0.209 163 G HA3 -0.096 3.861 3.960 -0.003 0.000 0.209 163 G C 0.176 175.141 174.900 0.109 0.000 0.993 163 G CA -0.245 44.908 45.100 0.088 0.000 0.669 163 G HN 0.574 nan 8.290 nan 0.000 0.519 164 A N -0.024 122.878 122.820 0.137 0.000 2.409 164 A HA 0.728 5.046 4.320 -0.003 0.000 0.262 164 A C 0.219 177.968 177.584 0.275 0.000 1.113 164 A CA 0.311 52.457 52.037 0.182 0.000 0.790 164 A CB 0.591 19.651 19.000 0.099 0.000 1.046 164 A HN 1.425 nan 8.150 nan 0.000 0.496 165 I N 2.127 122.848 120.570 0.252 0.000 2.509 165 I HA 0.338 4.506 4.170 -0.003 0.000 0.293 165 I C -0.622 175.428 176.117 -0.111 0.000 1.020 165 I CA -0.888 60.482 61.300 0.116 0.000 1.088 165 I CB 1.836 39.859 38.000 0.039 0.000 1.267 165 I HN 0.736 nan 8.210 nan 0.000 0.430 166 D N 4.872 125.048 120.400 -0.374 0.000 3.057 166 D HA 0.035 4.673 4.640 -0.003 0.000 0.246 166 D C 0.159 176.252 176.300 -0.345 0.000 1.238 166 D CA -0.375 53.170 54.000 -0.758 0.000 0.949 166 D CB 0.073 40.372 40.800 -0.835 0.000 1.086 166 D HN 0.611 nan 8.370 nan 0.000 0.487 167 D N -0.979 119.289 120.400 -0.220 0.000 2.360 167 D HA 0.097 4.735 4.640 -0.003 0.000 0.210 167 D C 1.697 177.931 176.300 -0.109 0.000 1.047 167 D CA 0.212 54.136 54.000 -0.127 0.000 0.854 167 D CB -0.264 40.492 40.800 -0.074 0.000 0.936 167 D HN 0.325 nan 8.370 nan 0.000 0.514 168 G N 0.559 109.280 108.800 -0.132 0.000 2.166 168 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.260 168 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.260 168 G C 1.005 175.878 174.900 -0.045 0.000 0.986 168 G CA 0.905 45.955 45.100 -0.083 0.000 0.683 168 G HN 0.469 nan 8.290 nan 0.000 0.527 169 K N -1.355 119.021 120.400 -0.040 0.000 2.585 169 K HA 0.085 4.403 4.320 -0.003 0.000 0.198 169 K C 0.690 177.281 176.600 -0.014 0.000 1.403 169 K CA 0.582 56.855 56.287 -0.022 0.000 1.021 169 K CB 0.430 32.917 32.500 -0.022 0.000 1.558 169 K HN 0.254 nan 8.250 nan 0.000 0.524 170 T N 3.473 118.018 114.554 -0.014 0.000 2.853 170 T HA 0.106 4.454 4.350 -0.003 0.000 0.298 170 T C -0.093 174.612 174.700 0.009 0.000 0.978 170 T CA -0.236 61.863 62.100 -0.001 0.000 1.152 170 T CB 0.546 69.417 68.868 0.005 0.000 0.914 170 T HN -0.091 nan 8.240 nan 0.000 0.539 171 L N 4.529 125.755 121.223 0.006 0.000 2.534 171 L HA 0.104 4.442 4.340 -0.003 0.000 0.271 171 L C 1.235 178.116 176.870 0.017 0.000 1.178 171 L CA 0.360 55.202 54.840 0.003 0.000 0.907 171 L CB -0.020 42.033 42.059 -0.010 0.000 1.164 171 L HN 0.584 nan 8.230 nan 0.000 0.482 172 N N 2.013 120.730 118.700 0.027 0.000 2.235 172 N HA 0.020 4.758 4.740 -0.003 0.000 0.209 172 N C 1.047 176.557 175.510 -0.001 0.000 1.122 172 N CA 0.274 53.349 53.050 0.041 0.000 0.845 172 N CB 0.434 38.982 38.487 0.102 0.000 1.004 172 N HN 0.653 nan 8.380 nan 0.000 0.499 173 T N 1.020 115.560 114.554 -0.024 0.000 2.635 173 T HA -0.203 4.145 4.350 -0.003 0.000 0.267 173 T C 2.001 176.686 174.700 -0.024 0.000 1.040 173 T CA 1.438 63.511 62.100 -0.046 0.000 1.156 173 T CB 0.058 68.891 68.868 -0.059 0.000 0.863 173 T HN 0.110 nan 8.240 nan 0.000 0.430 174 K N 1.642 122.040 120.400 -0.003 0.000 2.025 174 K HA 0.155 4.473 4.320 -0.003 0.000 0.207 174 K C 2.389 178.998 176.600 0.014 0.000 1.049 174 K CA 1.397 57.691 56.287 0.011 0.000 0.933 174 K CB -0.996 31.518 32.500 0.022 0.000 0.714 174 K HN 0.282 nan 8.250 nan 0.000 0.438 175 A N 0.679 123.518 122.820 0.031 0.000 1.883 175 A HA -0.159 4.159 4.320 -0.003 0.000 0.217 175 A C 2.292 179.844 177.584 -0.054 0.000 1.186 175 A CA 2.025 54.099 52.037 0.061 0.000 0.624 175 A CB -0.767 18.286 19.000 0.089 0.000 0.822 175 A HN 0.345 nan 8.150 nan 0.000 0.444 176 I N -1.257 119.258 120.570 -0.092 0.000 2.286 176 I HA -0.217 3.951 4.170 -0.003 0.000 0.245 176 I C 2.717 178.714 176.117 -0.199 0.000 1.104 176 I CA 1.560 62.755 61.300 -0.175 0.000 1.397 176 I CB -0.303 37.602 38.000 -0.158 0.000 1.072 176 I HN 0.354 nan 8.210 nan 0.000 0.417 177 Q N 1.170 120.898 119.800 -0.120 0.000 2.084 177 Q HA -0.221 4.117 4.340 -0.003 0.000 0.202 177 Q C 2.155 178.080 176.000 -0.124 0.000 0.978 177 Q CA 1.744 57.499 55.803 -0.080 0.000 0.844 177 Q CB -0.165 28.577 28.738 0.007 0.000 0.898 177 Q HN 0.484 nan 8.270 nan 0.000 0.426 178 Q N -0.668 119.053 119.800 -0.131 0.000 2.096 178 Q HA -0.159 4.179 4.340 -0.003 0.000 0.204 178 Q C 2.054 177.747 176.000 -0.512 0.000 0.982 178 Q CA 1.436 57.155 55.803 -0.141 0.000 0.850 178 Q CB -0.335 28.452 28.738 0.083 0.000 0.901 178 Q HN 0.485 nan 8.270 nan 0.000 0.422 179 A N 1.046 123.262 122.820 -1.007 0.000 1.902 179 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 179 A C 2.085 179.338 177.584 -0.553 0.000 1.181 179 A CA 1.227 52.435 52.037 -1.382 0.000 0.623 179 A CB -0.642 17.676 19.000 -1.137 0.000 0.818 179 A HN 0.293 nan 8.150 nan 0.000 0.443 180 I N 0.176 120.543 120.570 -0.338 0.000 2.163 180 I HA -0.260 3.908 4.170 -0.003 0.000 0.243 180 I C 1.740 177.787 176.117 -0.116 0.000 1.085 180 I CA 1.586 62.779 61.300 -0.178 0.000 1.347 180 I CB -0.488 37.441 38.000 -0.118 0.000 1.044 180 I HN 0.231 nan 8.210 nan 0.000 0.408 181 D N 0.320 120.656 120.400 -0.106 0.000 2.221 181 D HA -0.158 4.480 4.640 -0.003 0.000 0.204 181 D C 2.332 178.619 176.300 -0.022 0.000 0.982 181 D CA 1.713 55.689 54.000 -0.041 0.000 0.857 181 D CB -0.265 40.522 40.800 -0.022 0.000 0.934 181 D HN 0.397 nan 8.370 nan 0.000 0.475 182 S N -0.650 115.024 115.700 -0.043 0.000 2.489 182 S HA -0.054 4.414 4.470 -0.003 0.000 0.228 182 S C 1.132 175.749 174.600 0.028 0.000 0.995 182 S CA -0.302 57.920 58.200 0.037 0.000 0.934 182 S CB -0.475 62.815 63.200 0.149 0.000 0.771 182 S HN 0.126 nan 8.310 nan 0.000 0.522 183 c N 3.492 122.086 118.600 -0.011 0.000 2.590 183 c HA 0.229 4.797 4.570 -0.003 0.000 0.411 183 c C 0.998 175.099 174.090 0.018 0.000 1.420 183 c CA -0.258 56.071 56.329 -0.000 0.000 1.643 183 c CB -0.834 41.666 42.510 -0.017 0.000 2.528 183 c HN 0.530 nan 8.230 nan 0.000 0.606 184 K N 3.790 124.205 120.400 0.024 0.000 2.126 184 K HA 0.260 4.578 4.320 -0.003 0.000 0.257 184 K C -2.271 174.344 176.600 0.025 0.000 1.007 184 K CA -1.102 55.201 56.287 0.027 0.000 0.928 184 K CB 0.395 32.912 32.500 0.029 0.000 1.013 184 K HN 0.321 nan 8.250 nan 0.000 0.473 185 P HA -0.084 nan 4.420 nan 0.000 0.260 185 P C 0.241 177.557 177.300 0.026 0.000 1.172 185 P CA 1.078 64.196 63.100 0.031 0.000 0.760 185 P CB 0.289 32.010 31.700 0.035 0.000 0.773 186 G N 1.864 110.676 108.800 0.021 0.000 2.179 186 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.220 186 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.220 186 G C 0.412 175.316 174.900 0.007 0.000 0.990 186 G CA -0.200 44.908 45.100 0.013 0.000 0.646 186 G HN 0.844 nan 8.290 nan 0.000 0.517 187 c N 0.091 118.695 118.600 0.007 0.000 2.703 187 c HA 0.721 5.289 4.570 -0.003 0.000 0.411 187 c C 0.928 175.012 174.090 -0.009 0.000 1.290 187 c CA -0.753 55.577 56.329 0.002 0.000 2.054 187 c CB 0.497 43.006 42.510 -0.002 0.000 2.732 187 c HN 0.650 nan 8.230 nan 0.000 0.650 188 R N 2.174 122.669 120.500 -0.009 0.000 2.246 188 R HA 0.548 4.886 4.340 -0.003 0.000 0.332 188 R C -1.030 175.252 176.300 -0.030 0.000 0.974 188 R CA -0.411 55.678 56.100 -0.018 0.000 0.837 188 R CB 0.913 31.207 30.300 -0.009 0.000 1.145 188 R HN 0.823 nan 8.270 nan 0.000 0.467 189 V N 4.887 124.768 119.914 -0.056 0.000 2.488 189 V HA 0.128 4.246 4.120 -0.003 0.000 0.277 189 V C 0.187 176.230 176.094 -0.085 0.000 1.046 189 V CA -0.069 62.181 62.300 -0.083 0.000 0.986 189 V CB 1.222 32.969 31.823 -0.127 0.000 0.989 189 V HN 0.689 nan 8.190 nan 0.000 0.475 190 E N 5.193 125.347 120.200 -0.077 0.000 2.151 190 E HA 0.483 4.831 4.350 -0.003 0.000 0.275 190 E C -0.747 175.774 176.600 -0.131 0.000 0.936 190 E CA -0.421 55.932 56.400 -0.078 0.000 0.777 190 E CB 2.592 32.268 29.700 -0.039 0.000 1.108 190 E HN 0.533 nan 8.360 nan 0.000 0.401 191 I N 5.706 126.180 120.570 -0.159 0.000 2.328 191 I HA 0.214 4.382 4.170 -0.003 0.000 0.287 191 I C -1.984 174.056 176.117 -0.127 0.000 1.012 191 I CA -1.911 59.237 61.300 -0.254 0.000 1.195 191 I CB 1.290 39.120 38.000 -0.283 0.000 1.350 191 I HN 0.139 nan 8.210 nan 0.000 0.464 192 P HA 0.230 nan 4.420 nan 0.000 0.302 192 P C -0.456 176.945 177.300 0.168 0.000 1.307 192 P CA -0.481 62.648 63.100 0.048 0.000 0.754 192 P CB 0.655 32.392 31.700 0.061 0.000 1.298 193 A N -0.907 121.988 122.820 0.125 0.000 2.531 193 A HA 0.485 4.803 4.320 -0.003 0.000 0.236 193 A C 0.786 178.450 177.584 0.134 0.000 1.062 193 A CA 1.155 53.256 52.037 0.107 0.000 0.760 193 A CB -1.599 17.433 19.000 0.053 0.000 0.995 193 A HN 0.933 nan 8.150 nan 0.000 0.501 194 G N 0.220 109.055 108.800 0.060 0.000 2.355 194 G HA2 0.361 4.319 3.960 -0.003 0.000 0.619 194 G HA3 0.361 4.319 3.960 -0.003 0.000 0.619 194 G C -0.601 174.208 174.900 -0.151 0.000 1.337 194 G CA -0.337 44.702 45.100 -0.102 0.000 0.993 194 G HN 1.128 nan 8.290 nan 0.000 0.599 195 T N 0.938 115.320 114.554 -0.286 0.000 2.771 195 T HA 0.607 4.954 4.350 -0.003 0.000 0.281 195 T C -1.143 173.336 174.700 -0.369 0.000 0.982 195 T CA 0.108 62.093 62.100 -0.191 0.000 0.978 195 T CB 0.814 69.618 68.868 -0.107 0.000 0.930 195 T HN 0.430 nan 8.240 nan 0.000 0.447 196 Y N 2.301 122.585 120.300 -0.027 0.000 2.376 196 Y HA 0.389 4.937 4.550 -0.004 0.000 0.326 196 Y C 0.510 176.387 175.900 -0.037 0.000 0.970 196 Y CA -0.972 57.110 58.100 -0.031 0.000 1.248 196 Y CB 1.197 39.634 38.460 -0.038 0.000 1.117 196 Y HN 0.453 nan 8.280 nan 0.000 0.476 197 K N 1.935 122.374 120.400 0.064 0.000 2.295 197 K HA 0.545 4.863 4.320 -0.003 0.000 0.270 197 K C -0.393 176.223 176.600 0.027 0.000 1.011 197 K CA 0.002 56.308 56.287 0.031 0.000 0.953 197 K CB 0.719 33.223 32.500 0.007 0.000 0.956 197 K HN 0.597 nan 8.250 nan 0.000 0.477 198 S N 1.525 117.218 115.700 -0.012 0.000 2.542 198 S HA 0.487 4.955 4.470 -0.003 0.000 0.276 198 S C -0.543 173.972 174.600 -0.143 0.000 1.148 198 S CA -0.560 57.602 58.200 -0.063 0.000 0.886 198 S CB 1.224 64.384 63.200 -0.067 0.000 1.109 198 S HN 0.841 nan 8.310 nan 0.000 0.458 199 G N 1.613 110.275 108.800 -0.230 0.000 2.535 199 G HA2 0.609 4.567 3.960 -0.003 0.000 0.282 199 G HA3 0.609 4.567 3.960 -0.003 0.000 0.282 199 G C 0.347 174.958 174.900 -0.481 0.000 1.350 199 G CA -0.164 44.638 45.100 -0.496 0.000 1.039 199 G HN 1.356 nan 8.290 nan 0.000 0.509 200 A N -0.999 121.418 122.820 -0.673 0.000 2.584 200 A HA 0.358 4.676 4.320 -0.003 0.000 0.239 200 A C 0.165 177.457 177.584 -0.486 0.000 1.043 200 A CA 0.499 52.227 52.037 -0.515 0.000 0.756 200 A CB -0.426 18.300 19.000 -0.457 0.000 0.963 200 A HN 0.520 nan 8.150 nan 0.000 0.511 201 L N 1.364 122.243 121.223 -0.573 0.000 2.334 201 L HA 0.599 4.937 4.340 -0.003 0.000 0.273 201 L C -0.975 175.471 176.870 -0.707 0.000 1.013 201 L CA -0.523 54.040 54.840 -0.462 0.000 0.816 201 L CB 1.743 43.639 42.059 -0.272 0.000 1.278 201 L HN 0.830 nan 8.230 nan 0.000 0.431 202 W N 3.065 124.300 121.300 -0.109 0.000 2.424 202 W HA 0.612 5.270 4.660 -0.004 0.000 0.318 202 W C -0.590 175.851 176.519 -0.131 0.000 1.016 202 W CA -0.370 56.911 57.345 -0.108 0.000 1.268 202 W CB 0.712 30.139 29.460 -0.054 0.000 1.297 202 W HN 0.178 nan 8.180 nan 0.000 0.428 203 L N 3.962 125.151 121.223 -0.057 0.000 2.475 203 L HA 0.525 4.863 4.340 -0.003 0.000 0.253 203 L C 0.620 177.437 176.870 -0.088 0.000 1.198 203 L CA -0.665 54.108 54.840 -0.111 0.000 0.814 203 L CB 0.511 42.446 42.059 -0.206 0.000 1.134 203 L HN 0.450 nan 8.230 nan 0.000 0.478 204 K N -0.956 119.430 120.400 -0.024 0.000 2.439 204 K HA 0.542 4.860 4.320 -0.003 0.000 0.260 204 K C -1.002 175.686 176.600 0.147 0.000 1.032 204 K CA -0.869 55.507 56.287 0.149 0.000 0.882 204 K CB 1.443 34.034 32.500 0.151 0.000 1.420 204 K HN 0.391 nan 8.250 nan 0.000 0.455 205 S N 1.050 116.917 115.700 0.279 0.000 2.579 205 S HA 0.063 4.531 4.470 -0.003 0.000 0.275 205 S C -0.563 174.098 174.600 0.102 0.000 1.345 205 S CA 0.130 58.450 58.200 0.200 0.000 1.031 205 S CB -0.104 63.213 63.200 0.195 0.000 0.892 205 S HN 0.809 nan 8.310 nan 0.000 0.529 206 D N 0.293 120.740 120.400 0.079 0.000 2.739 206 D HA -0.143 4.495 4.640 -0.003 0.000 0.240 206 D C -0.392 175.925 176.300 0.028 0.000 1.114 206 D CA 0.943 54.974 54.000 0.052 0.000 0.695 206 D CB -1.432 39.399 40.800 0.053 0.000 1.078 206 D HN 0.673 nan 8.370 nan 0.000 0.434 207 M N -3.315 116.295 119.600 0.017 0.000 2.622 207 M HA 0.599 5.077 4.480 -0.003 0.000 0.276 207 M C -0.996 175.297 176.300 -0.013 0.000 1.265 207 M CA -0.718 54.580 55.300 -0.004 0.000 0.850 207 M CB 2.554 35.144 32.600 -0.017 0.000 1.720 207 M HN -0.234 nan 8.290 nan 0.000 0.465 208 T N 2.373 116.914 114.554 -0.022 0.000 2.807 208 T HA 0.633 4.981 4.350 -0.003 0.000 0.279 208 T C -1.262 173.407 174.700 -0.051 0.000 0.993 208 T CA -0.567 61.519 62.100 -0.023 0.000 0.970 208 T CB 1.526 70.388 68.868 -0.010 0.000 0.950 208 T HN 0.619 nan 8.240 nan 0.000 0.441 209 L N 4.240 125.420 121.223 -0.072 0.000 2.257 209 L HA 0.584 4.922 4.340 -0.003 0.000 0.290 209 L C -0.338 176.476 176.870 -0.094 0.000 1.044 209 L CA -0.351 54.425 54.840 -0.107 0.000 0.810 209 L CB 0.581 42.547 42.059 -0.155 0.000 1.193 209 L HN 0.533 nan 8.230 nan 0.000 0.425 210 N N 4.264 122.914 118.700 -0.082 0.000 2.417 210 N HA 0.527 5.265 4.740 -0.003 0.000 0.274 210 N C -1.596 173.869 175.510 -0.076 0.000 0.987 210 N CA -0.355 52.660 53.050 -0.057 0.000 0.912 210 N CB 1.018 39.488 38.487 -0.028 0.000 1.177 210 N HN 0.540 nan 8.380 nan 0.000 0.490 211 L N 3.041 124.223 121.223 -0.067 0.000 2.277 211 L HA 0.382 4.720 4.340 -0.003 0.000 0.284 211 L C 0.676 177.533 176.870 -0.021 0.000 1.028 211 L CA -0.521 54.280 54.840 -0.064 0.000 0.835 211 L CB 1.064 43.068 42.059 -0.093 0.000 1.215 211 L HN 0.443 nan 8.230 nan 0.000 0.425 212 Q N 1.692 121.483 119.800 -0.015 0.000 2.492 212 Q HA 0.404 4.742 4.340 -0.003 0.000 0.238 212 Q C 0.354 176.360 176.000 0.010 0.000 1.045 212 Q CA -0.382 55.423 55.803 0.002 0.000 0.934 212 Q CB 0.733 29.475 28.738 0.007 0.000 1.276 212 Q HN 0.733 nan 8.270 nan 0.000 0.521 213 A N 0.353 123.178 122.820 0.009 0.000 2.546 213 A HA 0.357 4.675 4.320 -0.003 0.000 0.243 213 A C 1.151 178.743 177.584 0.013 0.000 1.063 213 A CA 0.824 52.864 52.037 0.005 0.000 0.757 213 A CB -0.663 18.337 19.000 -0.001 0.000 0.991 213 A HN 0.945 nan 8.150 nan 0.000 0.503 214 G N 0.991 109.798 108.800 0.011 0.000 2.258 214 G HA2 0.139 4.097 3.960 -0.003 0.000 0.233 214 G HA3 0.139 4.097 3.960 -0.003 0.000 0.233 214 G C 0.666 175.587 174.900 0.036 0.000 1.006 214 G CA 0.376 45.487 45.100 0.018 0.000 0.620 214 G HN 2.243 nan 8.290 nan 0.000 0.511 215 A N 0.416 123.265 122.820 0.050 0.000 2.440 215 A HA 0.684 5.002 4.320 -0.003 0.000 0.251 215 A C 0.174 177.794 177.584 0.060 0.000 1.089 215 A CA 0.389 52.479 52.037 0.087 0.000 0.779 215 A CB 0.153 19.191 19.000 0.064 0.000 1.022 215 A HN 0.899 nan 8.150 nan 0.000 0.492 216 I N 2.937 123.559 120.570 0.087 0.000 2.468 216 I HA 0.191 4.359 4.170 -0.003 0.000 0.284 216 I C -0.927 175.236 176.117 0.076 0.000 1.038 216 I CA -0.602 60.727 61.300 0.049 0.000 1.083 216 I CB 1.678 39.694 38.000 0.026 0.000 1.223 216 I HN 0.542 nan 8.210 nan 0.000 0.443 217 L N 7.647 128.884 121.223 0.024 0.000 2.278 217 L HA 0.454 4.792 4.340 -0.003 0.000 0.287 217 L C -0.926 175.942 176.870 -0.004 0.000 1.072 217 L CA -0.159 54.688 54.840 0.012 0.000 0.819 217 L CB 1.027 43.044 42.059 -0.071 0.000 1.176 217 L HN 0.500 nan 8.230 nan 0.000 0.435 218 L N 5.387 126.620 121.223 0.017 0.000 2.296 218 L HA 0.714 5.052 4.340 -0.003 0.000 0.286 218 L C 0.473 177.350 176.870 0.011 0.000 1.023 218 L CA -0.079 54.765 54.840 0.008 0.000 0.812 218 L CB 1.402 43.467 42.059 0.011 0.000 1.223 218 L HN 0.675 nan 8.230 nan 0.000 0.421 219 G N 2.835 111.647 108.800 0.019 0.000 2.340 219 G HA2 0.230 4.188 3.960 -0.003 0.000 0.245 219 G HA3 0.230 4.188 3.960 -0.003 0.000 0.245 219 G C 0.082 175.034 174.900 0.087 0.000 1.294 219 G CA 0.105 45.255 45.100 0.083 0.000 0.896 219 G HN 0.837 nan 8.290 nan 0.000 0.522 220 S N 0.917 116.679 115.700 0.103 0.000 2.563 220 S HA -0.020 4.448 4.470 -0.003 0.000 0.284 220 S C 1.533 176.232 174.600 0.166 0.000 1.331 220 S CA 0.413 58.670 58.200 0.095 0.000 1.047 220 S CB 0.691 63.904 63.200 0.022 0.000 0.859 220 S HN 0.760 nan 8.310 nan 0.000 0.514 221 E N 2.945 123.190 120.200 0.074 0.000 2.489 221 E HA -0.045 4.303 4.350 -0.003 0.000 0.193 221 E C -0.021 176.602 176.600 0.038 0.000 1.057 221 E CA 0.048 56.462 56.400 0.023 0.000 0.866 221 E CB -0.351 29.342 29.700 -0.012 0.000 0.916 221 E HN 0.533 nan 8.360 nan 0.000 0.500 222 N N 2.433 121.190 118.700 0.096 0.000 2.408 222 N HA 0.119 4.857 4.740 -0.003 0.000 0.257 222 N C -1.965 173.643 175.510 0.163 0.000 1.064 222 N CA -2.370 50.731 53.050 0.084 0.000 0.952 222 N CB 1.609 40.127 38.487 0.052 0.000 1.093 222 N HN -0.228 nan 8.380 nan 0.000 0.490 223 P HA -0.112 nan 4.420 nan 0.000 0.218 223 P C 0.282 177.677 177.300 0.158 0.000 1.146 223 P CA 1.101 64.267 63.100 0.111 0.000 0.813 223 P CB 0.345 32.056 31.700 0.017 0.000 0.778 224 D N -0.885 119.573 120.400 0.097 0.000 2.350 224 D HA -0.099 4.539 4.640 -0.003 0.000 0.216 224 D C 0.878 177.201 176.300 0.038 0.000 0.968 224 D CA 0.922 54.959 54.000 0.062 0.000 0.894 224 D CB -0.363 40.456 40.800 0.032 0.000 0.909 224 D HN 0.229 nan 8.370 nan 0.000 0.520 225 D N -0.607 119.802 120.400 0.015 0.000 2.340 225 D HA -0.032 4.606 4.640 -0.003 0.000 0.220 225 D C -0.240 175.773 176.300 -0.480 0.000 1.039 225 D CA 0.181 54.054 54.000 -0.211 0.000 0.866 225 D CB 0.153 40.775 40.800 -0.297 0.000 0.913 225 D HN 0.324 nan 8.370 nan 0.000 0.523 226 Y N 0.926 121.234 120.300 0.014 0.000 2.787 226 Y HA 0.265 4.813 4.550 -0.003 0.000 0.352 226 Y C -1.983 173.959 175.900 0.070 0.000 1.027 226 Y CA -2.000 56.112 58.100 0.020 0.000 1.219 226 Y CB 1.379 39.821 38.460 -0.029 0.000 1.110 226 Y HN -0.118 nan 8.280 nan 0.000 0.614 227 P HA 0.206 nan 4.420 nan 0.000 0.307 227 P C -0.132 177.309 177.300 0.236 0.000 1.306 227 P CA -0.538 62.682 63.100 0.200 0.000 0.742 227 P CB 0.657 32.469 31.700 0.187 0.000 1.349 228 A N -0.497 122.430 122.820 0.178 0.000 2.546 228 A HA 0.399 4.717 4.320 -0.003 0.000 0.243 228 A C 1.291 179.044 177.584 0.282 0.000 1.063 228 A CA 0.647 52.780 52.037 0.160 0.000 0.757 228 A CB -0.925 18.128 19.000 0.088 0.000 0.991 228 A HN 0.641 nan 8.150 nan 0.000 0.503 229 G N 0.979 109.943 108.800 0.273 0.000 2.687 229 G HA2 0.468 4.426 3.960 -0.003 0.000 0.222 229 G HA3 0.468 4.426 3.960 -0.003 0.000 0.222 229 G C 0.032 175.186 174.900 0.423 0.000 1.445 229 G CA 0.731 46.084 45.100 0.422 0.000 0.836 229 G HN 1.349 nan 8.290 nan 0.000 0.598 230 Y N -1.265 119.096 120.300 0.103 0.000 2.677 230 Y HA 0.748 5.296 4.550 -0.003 0.000 0.334 230 Y C -1.016 174.900 175.900 0.028 0.000 1.196 230 Y CA -1.733 56.407 58.100 0.067 0.000 1.059 230 Y CB 0.881 39.377 38.460 0.062 0.000 1.315 230 Y HN 0.118 nan 8.280 nan 0.000 0.455 231 R N 2.005 122.464 120.500 -0.068 0.000 2.474 231 R HA 0.381 4.719 4.340 -0.003 0.000 0.295 231 R C 0.336 176.592 176.300 -0.074 0.000 0.980 231 R CA -0.899 55.087 56.100 -0.189 0.000 0.934 231 R CB 2.123 32.379 30.300 -0.073 0.000 1.101 231 R HN 0.811 nan 8.270 nan 0.000 0.469 232 L N 2.178 123.273 121.223 -0.213 0.000 1.989 232 L HA -0.113 4.225 4.340 -0.003 0.000 0.211 232 L C -0.198 176.402 176.870 -0.452 0.000 1.071 232 L CA 1.929 56.636 54.840 -0.221 0.000 0.749 232 L CB -0.116 41.678 42.059 -0.441 0.000 0.890 232 L HN 0.464 nan 8.230 nan 0.000 0.431 233 Y N -2.201 117.992 120.300 -0.178 0.000 2.562 233 Y HA 0.407 4.955 4.550 -0.004 0.000 0.343 233 Y C -1.565 174.094 175.900 -0.401 0.000 1.025 233 Y CA -2.726 55.115 58.100 -0.432 0.000 1.082 233 Y CB -0.164 37.658 38.460 -1.064 0.000 1.264 233 Y HN -0.210 nan 8.280 nan 0.000 0.478 234 P HA -0.170 nan 4.420 nan 0.000 0.218 234 P C 0.518 177.832 177.300 0.024 0.000 1.148 234 P CA 1.710 64.805 63.100 -0.008 0.000 0.822 234 P CB -0.115 31.640 31.700 0.091 0.000 0.784 235 Y N -2.857 117.525 120.300 0.135 0.000 2.471 235 Y HA 0.384 4.932 4.550 -0.004 0.000 0.286 235 Y C 0.418 176.401 175.900 0.139 0.000 1.188 235 Y CA -0.797 57.373 58.100 0.116 0.000 1.286 235 Y CB -1.193 37.323 38.460 0.093 0.000 1.072 235 Y HN -0.282 nan 8.280 nan 0.000 0.517 236 S N 1.097 116.789 115.700 -0.015 0.000 2.548 236 S HA 0.098 4.566 4.470 -0.003 0.000 0.277 236 S C 1.216 175.851 174.600 0.059 0.000 1.315 236 S CA 0.149 58.380 58.200 0.051 0.000 1.050 236 S CB 1.147 64.316 63.200 -0.051 0.000 0.918 236 S HN 0.605 nan 8.310 nan 0.000 0.497 237 T N -0.443 114.159 114.554 0.079 0.000 3.051 237 T HA 0.287 4.635 4.350 -0.003 0.000 0.255 237 T C 0.449 175.161 174.700 0.020 0.000 1.085 237 T CA 0.293 62.428 62.100 0.059 0.000 1.109 237 T CB -0.291 68.621 68.868 0.073 0.000 0.921 237 T HN 0.503 nan 8.240 nan 0.000 0.488 238 I N 2.133 122.701 120.570 -0.002 0.000 2.362 238 I HA 0.414 4.582 4.170 -0.003 0.000 0.289 238 I C -0.142 175.925 176.117 -0.084 0.000 0.994 238 I CA -1.086 60.194 61.300 -0.034 0.000 1.158 238 I CB 1.719 39.701 38.000 -0.030 0.000 1.315 238 I HN 0.026 nan 8.210 nan 0.000 0.451 239 E N 6.569 126.721 120.200 -0.080 0.000 2.414 239 E HA 0.135 4.483 4.350 -0.003 0.000 0.263 239 E C -0.606 175.899 176.600 -0.159 0.000 1.000 239 E CA 0.189 56.520 56.400 -0.114 0.000 0.914 239 E CB 0.655 30.324 29.700 -0.052 0.000 0.948 239 E HN 0.376 nan 8.360 nan 0.000 0.444 240 R N 5.125 125.461 120.500 -0.273 0.000 2.540 240 R HA 0.413 4.751 4.340 -0.003 0.000 0.287 240 R C -2.043 174.201 176.300 -0.093 0.000 0.980 240 R CA -2.070 53.870 56.100 -0.266 0.000 0.966 240 R CB 1.125 31.103 30.300 -0.537 0.000 1.106 240 R HN 0.554 nan 8.270 nan 0.000 0.480 241 P HA 0.013 nan 4.420 nan 0.000 0.272 241 P C -0.634 176.769 177.300 0.172 0.000 1.230 241 P CA -0.218 62.929 63.100 0.078 0.000 0.788 241 P CB 0.558 32.279 31.700 0.034 0.000 0.949 242 A N 2.410 125.365 122.820 0.225 0.000 2.555 242 A HA 0.169 4.487 4.320 -0.003 0.000 0.233 242 A C 0.817 178.461 177.584 0.100 0.000 1.060 242 A CA 0.320 52.437 52.037 0.133 0.000 0.759 242 A CB -0.744 18.257 19.000 0.001 0.000 0.995 242 A HN 0.551 nan 8.150 nan 0.000 0.506 243 S N 0.065 115.748 115.700 -0.029 0.000 2.641 243 S HA 0.228 4.696 4.470 -0.003 0.000 0.261 243 S C 1.460 176.040 174.600 -0.033 0.000 1.257 243 S CA -0.158 58.021 58.200 -0.034 0.000 0.983 243 S CB 0.517 63.654 63.200 -0.104 0.000 0.990 243 S HN 0.789 nan 8.310 nan 0.000 0.572 244 L N 0.941 122.169 121.223 0.008 0.000 2.046 244 L HA 0.232 4.570 4.340 -0.003 0.000 0.208 244 L C 0.207 176.942 176.870 -0.225 0.000 1.077 244 L CA 1.878 56.708 54.840 -0.016 0.000 0.747 244 L CB -0.326 41.732 42.059 -0.001 0.000 0.896 244 L HN 0.550 nan 8.230 nan 0.000 0.432 245 I N 0.904 121.325 120.570 -0.249 0.000 2.389 245 I HA 0.285 4.453 4.170 -0.003 0.000 0.288 245 I C -0.748 175.161 176.117 -0.347 0.000 0.999 245 I CA -0.452 60.659 61.300 -0.314 0.000 1.129 245 I CB 1.225 39.056 38.000 -0.282 0.000 1.288 245 I HN 0.128 nan 8.210 nan 0.000 0.444 246 N N 4.873 123.309 118.700 -0.439 0.000 2.240 246 N HA 0.676 5.414 4.740 -0.003 0.000 0.302 246 N C -1.021 174.305 175.510 -0.306 0.000 1.106 246 N CA -0.658 52.153 53.050 -0.399 0.000 0.778 246 N CB 2.739 40.844 38.487 -0.637 0.000 1.431 246 N HN 0.585 nan 8.380 nan 0.000 0.479 247 A N 2.252 124.888 122.820 -0.308 0.000 2.709 247 A HA 0.561 4.879 4.320 -0.003 0.000 0.332 247 A C -0.630 176.799 177.584 -0.258 0.000 1.241 247 A CA -0.460 51.225 52.037 -0.587 0.000 0.782 247 A CB -0.301 18.219 19.000 -0.799 0.000 1.109 247 A HN 0.602 nan 8.150 nan 0.000 0.472 248 I N 1.578 122.238 120.570 0.151 0.000 2.468 248 I HA 0.266 4.434 4.170 -0.003 0.000 0.285 248 I C -1.261 175.171 176.117 0.525 0.000 1.039 248 I CA -0.594 60.939 61.300 0.388 0.000 1.074 248 I CB 2.191 40.411 38.000 0.366 0.000 1.228 248 I HN 0.442 nan 8.210 nan 0.000 0.436 249 D N 8.624 129.298 120.400 0.458 0.000 2.329 249 D HA 0.322 4.960 4.640 -0.003 0.000 0.232 249 D C -1.782 174.588 176.300 0.117 0.000 1.088 249 D CA -2.180 51.942 54.000 0.204 0.000 0.835 249 D CB 2.312 43.084 40.800 -0.047 0.000 1.078 249 D HN 0.136 nan 8.370 nan 0.000 0.495 250 P HA -0.184 nan 4.420 nan 0.000 0.215 250 P C 1.032 178.358 177.300 0.042 0.000 1.163 250 P CA 1.161 64.293 63.100 0.054 0.000 0.894 250 P CB 0.122 31.825 31.700 0.006 0.000 0.791 251 N N -1.117 117.591 118.700 0.014 0.000 2.184 251 N HA -0.154 4.584 4.740 -0.003 0.000 0.190 251 N C 0.285 175.812 175.510 0.029 0.000 1.011 251 N CA 1.260 54.318 53.050 0.013 0.000 0.867 251 N CB -0.736 37.750 38.487 -0.001 0.000 0.993 251 N HN 0.238 nan 8.380 nan 0.000 0.433 252 N N -0.964 117.758 118.700 0.038 0.000 3.506 252 N HA 0.008 4.746 4.740 -0.003 0.000 0.174 252 N C -0.735 174.796 175.510 0.035 0.000 1.488 252 N CA 0.090 53.148 53.050 0.013 0.000 0.834 252 N CB 0.573 39.038 38.487 -0.036 0.000 1.677 252 N HN 0.187 nan 8.380 nan 0.000 0.654 253 S N -1.101 114.629 115.700 0.049 0.000 2.632 253 S HA 0.066 4.534 4.470 -0.003 0.000 0.237 253 S C 0.628 175.260 174.600 0.053 0.000 1.037 253 S CA -0.279 57.964 58.200 0.071 0.000 1.009 253 S CB 0.509 63.764 63.200 0.090 0.000 0.974 253 S HN 0.448 nan 8.310 nan 0.000 0.544 254 K N 2.190 122.609 120.400 0.031 0.000 2.401 254 K HA 0.315 4.633 4.320 -0.003 0.000 0.278 254 K C -3.049 173.537 176.600 -0.023 0.000 1.018 254 K CA -1.362 54.937 56.287 0.019 0.000 0.981 254 K CB -0.347 32.169 32.500 0.028 0.000 0.933 254 K HN -0.058 nan 8.250 nan 0.000 0.477 255 P HA -0.006 nan 4.420 nan 0.000 0.265 255 P C 0.502 177.748 177.300 -0.091 0.000 1.193 255 P CA 0.934 63.915 63.100 -0.199 0.000 0.765 255 P CB 0.830 32.097 31.700 -0.722 0.000 0.823 256 G N 1.835 110.612 108.800 -0.038 0.000 2.238 256 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.217 256 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.217 256 G C 1.260 176.129 174.900 -0.051 0.000 0.996 256 G CA 0.428 45.525 45.100 -0.005 0.000 0.632 256 G HN 0.434 nan 8.290 nan 0.000 0.503 257 T N 0.533 115.026 114.554 -0.102 0.000 2.653 257 T HA 0.015 4.363 4.350 -0.003 0.000 0.268 257 T C 0.898 175.266 174.700 -0.554 0.000 1.035 257 T CA 1.838 63.762 62.100 -0.294 0.000 1.154 257 T CB -0.184 68.522 68.868 -0.270 0.000 0.862 257 T HN 0.415 nan 8.240 nan 0.000 0.441 258 F N 0.340 120.297 119.950 0.012 0.000 2.598 258 F HA 0.625 5.150 4.527 -0.004 0.000 0.327 258 F C 0.343 176.156 175.800 0.022 0.000 1.057 258 F CA -1.500 56.512 58.000 0.020 0.000 0.957 258 F CB 1.480 40.493 39.000 0.023 0.000 1.278 258 F HN -0.115 nan 8.300 nan 0.000 0.484 259 R N 0.081 120.717 120.500 0.227 0.000 2.698 259 R HA 0.522 4.860 4.340 -0.003 0.000 0.275 259 R C -1.382 175.000 176.300 0.137 0.000 1.001 259 R CA -1.101 55.089 56.100 0.150 0.000 0.896 259 R CB 1.269 31.633 30.300 0.107 0.000 1.218 259 R HN 0.649 nan 8.270 nan 0.000 0.462 260 N N 1.209 119.979 118.700 0.116 0.000 2.681 260 N HA -0.156 4.582 4.740 -0.003 0.000 0.259 260 N C -0.943 174.611 175.510 0.074 0.000 1.066 260 N CA 0.891 53.997 53.050 0.093 0.000 0.717 260 N CB -1.046 37.488 38.487 0.078 0.000 0.885 260 N HN 0.608 nan 8.380 nan 0.000 0.547 261 I N 0.938 121.551 120.570 0.070 0.000 2.377 261 I HA 0.350 4.518 4.170 -0.003 0.000 0.293 261 I C 0.537 176.685 176.117 0.051 0.000 0.987 261 I CA -0.519 60.799 61.300 0.030 0.000 1.185 261 I CB 1.414 39.398 38.000 -0.026 0.000 1.341 261 I HN -0.095 nan 8.210 nan 0.000 0.455 262 R N 7.078 127.601 120.500 0.038 0.000 2.575 262 R HA 0.707 5.045 4.340 -0.003 0.000 0.293 262 R C -1.248 175.063 176.300 0.019 0.000 0.983 262 R CA -0.814 55.333 56.100 0.078 0.000 0.887 262 R CB 2.670 33.041 30.300 0.118 0.000 1.184 262 R HN 0.548 nan 8.270 nan 0.000 0.445 263 I N 2.397 122.979 120.570 0.020 0.000 2.468 263 I HA 0.307 4.475 4.170 -0.003 0.000 0.285 263 I C 0.069 176.245 176.117 0.098 0.000 1.039 263 I CA -0.512 60.788 61.300 -0.002 0.000 1.074 263 I CB 2.179 40.131 38.000 -0.080 0.000 1.228 263 I HN 0.731 nan 8.210 nan 0.000 0.436 264 T N 1.614 116.207 114.554 0.064 0.000 2.716 264 T HA 0.952 5.300 4.350 -0.003 0.000 0.286 264 T C -0.027 174.725 174.700 0.086 0.000 1.052 264 T CA -0.517 61.633 62.100 0.083 0.000 1.024 264 T CB 2.034 70.932 68.868 0.051 0.000 1.349 264 T HN 1.206 nan 8.240 nan 0.000 0.525 265 G N 0.107 108.942 108.800 0.058 0.000 2.662 265 G HA2 0.122 4.080 3.960 -0.003 0.000 0.686 265 G HA3 0.122 4.080 3.960 -0.003 0.000 0.686 265 G C 0.409 175.335 174.900 0.043 0.000 1.271 265 G CA 0.313 45.435 45.100 0.037 0.000 0.816 265 G HN 1.921 nan 8.290 nan 0.000 0.608 266 S N -0.157 115.553 115.700 0.016 0.000 2.593 266 S HA 0.456 4.924 4.470 -0.003 0.000 0.217 266 S C 1.595 176.201 174.600 0.010 0.000 0.966 266 S CA 1.072 59.272 58.200 -0.001 0.000 0.914 266 S CB 0.094 63.283 63.200 -0.019 0.000 0.776 266 S HN 2.108 nan 8.310 nan 0.000 0.523 267 G N 0.996 109.809 108.800 0.021 0.000 2.750 267 G HA2 0.419 4.377 3.960 -0.003 0.000 0.250 267 G HA3 0.419 4.377 3.960 -0.003 0.000 0.250 267 G C -0.579 174.335 174.900 0.024 0.000 1.230 267 G CA -0.344 44.764 45.100 0.014 0.000 0.883 267 G HN 0.339 nan 8.290 nan 0.000 0.573 268 V N 0.481 120.399 119.914 0.007 0.000 2.483 268 V HA 0.376 4.494 4.120 -0.003 0.000 0.295 268 V C 0.089 176.163 176.094 -0.034 0.000 1.035 268 V CA -0.443 61.861 62.300 0.007 0.000 0.896 268 V CB 1.585 33.417 31.823 0.015 0.000 0.986 268 V HN 0.516 nan 8.190 nan 0.000 0.447 269 I N 3.926 124.465 120.570 -0.052 0.000 2.328 269 I HA 0.377 4.545 4.170 -0.003 0.000 0.287 269 I C -0.558 175.530 176.117 -0.049 0.000 1.012 269 I CA -0.150 61.090 61.300 -0.101 0.000 1.195 269 I CB 1.279 39.149 38.000 -0.217 0.000 1.350 269 I HN 0.521 nan 8.210 nan 0.000 0.464 270 D N 5.111 125.488 120.400 -0.039 0.000 2.414 270 D HA 0.246 4.884 4.640 -0.003 0.000 0.232 270 D C 0.981 177.252 176.300 -0.049 0.000 1.070 270 D CA -0.398 53.583 54.000 -0.032 0.000 0.839 270 D CB 2.189 42.988 40.800 -0.002 0.000 1.079 270 D HN 0.683 nan 8.370 nan 0.000 0.521 271 G N 3.128 111.882 108.800 -0.077 0.000 2.598 271 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.215 271 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.215 271 G C 0.987 175.824 174.900 -0.105 0.000 1.131 271 G CA -0.069 44.979 45.100 -0.086 0.000 0.785 271 G HN 0.682 nan 8.290 nan 0.000 0.539 272 N N -0.828 117.811 118.700 -0.101 0.000 2.740 272 N HA -0.146 4.592 4.740 -0.003 0.000 0.248 272 N C 1.346 176.755 175.510 -0.169 0.000 1.062 272 N CA 1.112 54.108 53.050 -0.091 0.000 0.704 272 N CB -1.295 37.164 38.487 -0.046 0.000 0.968 272 N HN 0.322 nan 8.380 nan 0.000 0.547 273 G N -2.303 106.356 108.800 -0.234 0.000 2.492 273 G HA2 0.214 4.172 3.960 -0.003 0.000 0.214 273 G HA3 0.214 4.172 3.960 -0.003 0.000 0.214 273 G C 0.068 174.526 174.900 -0.737 0.000 1.147 273 G CA 0.344 45.141 45.100 -0.505 0.000 0.809 273 G HN 0.337 nan 8.290 nan 0.000 0.533 274 W N -0.794 120.469 121.300 -0.061 0.000 3.127 274 W HA 0.609 5.266 4.660 -0.004 0.000 0.330 274 W C -0.270 176.307 176.519 0.095 0.000 1.187 274 W CA -1.125 56.230 57.345 0.017 0.000 1.198 274 W CB 1.081 30.565 29.460 0.040 0.000 1.408 274 W HN -0.202 nan 8.180 nan 0.000 0.529 275 L N 2.783 124.218 121.223 0.353 0.000 2.474 275 L HA 0.298 4.636 4.340 -0.003 0.000 0.259 275 L C 1.080 178.128 176.870 0.296 0.000 1.232 275 L CA -0.557 54.434 54.840 0.251 0.000 0.821 275 L CB 0.047 42.203 42.059 0.161 0.000 1.108 275 L HN 0.276 nan 8.230 nan 0.000 0.495 276 R N 0.807 121.415 120.500 0.180 0.000 2.641 276 R HA 0.368 4.706 4.340 -0.003 0.000 0.269 276 R C -0.024 176.295 176.300 0.033 0.000 1.074 276 R CA -0.298 55.840 56.100 0.062 0.000 1.133 276 R CB 0.523 30.819 30.300 -0.008 0.000 1.029 276 R HN 0.729 nan 8.270 nan 0.000 0.488 277 A N 1.780 124.586 122.820 -0.022 0.000 2.387 277 A HA -0.001 4.317 4.320 -0.003 0.000 0.251 277 A C 1.522 179.103 177.584 -0.005 0.000 1.113 277 A CA 0.113 52.141 52.037 -0.015 0.000 0.794 277 A CB 0.206 19.191 19.000 -0.025 0.000 1.069 277 A HN 0.776 nan 8.150 nan 0.000 0.506 278 K N -0.604 119.796 120.400 0.000 0.000 2.032 278 K HA -0.106 4.212 4.320 -0.003 0.000 0.209 278 K C 0.068 176.669 176.600 0.002 0.000 1.048 278 K CA 1.712 58.002 56.287 0.004 0.000 0.927 278 K CB -0.349 32.153 32.500 0.004 0.000 0.712 278 K HN 0.717 nan 8.250 nan 0.000 0.441 279 T N 0.905 115.462 114.554 0.004 0.000 2.739 279 T HA 0.278 4.626 4.350 -0.003 0.000 0.298 279 T C 0.483 175.177 174.700 -0.011 0.000 0.929 279 T CA -0.127 61.974 62.100 0.003 0.000 1.014 279 T CB 1.493 70.368 68.868 0.013 0.000 0.914 279 T HN 0.244 nan 8.240 nan 0.000 0.509 280 A N 3.011 125.817 122.820 -0.023 0.000 2.072 280 A HA 0.162 4.480 4.320 -0.003 0.000 0.216 280 A C 0.957 178.494 177.584 -0.079 0.000 1.156 280 A CA 0.516 52.521 52.037 -0.054 0.000 0.701 280 A CB 0.217 19.196 19.000 -0.035 0.000 0.816 280 A HN 0.673 nan 8.150 nan 0.000 0.458 281 E N -0.065 120.109 120.200 -0.042 0.000 2.366 281 E HA 0.550 4.898 4.350 -0.003 0.000 0.278 281 E C -1.585 175.010 176.600 -0.008 0.000 0.923 281 E CA -0.630 55.749 56.400 -0.035 0.000 0.761 281 E CB 1.853 31.537 29.700 -0.026 0.000 1.231 281 E HN 0.395 nan 8.360 nan 0.000 0.443 282 I N -1.147 119.426 120.570 0.004 0.000 3.108 282 I HA 0.594 4.762 4.170 -0.003 0.000 0.312 282 I C -0.471 175.660 176.117 0.024 0.000 1.095 282 I CA -0.775 60.536 61.300 0.018 0.000 1.000 282 I CB 2.307 40.323 38.000 0.027 0.000 1.229 282 I HN 0.188 nan 8.210 nan 0.000 0.454 283 T N 2.629 117.201 114.554 0.029 0.000 2.744 283 T HA 0.311 4.659 4.350 -0.003 0.000 0.291 283 T C -0.410 174.328 174.700 0.063 0.000 0.957 283 T CA -0.368 61.751 62.100 0.032 0.000 1.002 283 T CB 0.779 69.658 68.868 0.017 0.000 0.919 283 T HN 0.787 nan 8.240 nan 0.000 0.468 284 D N 1.818 122.272 120.400 0.090 0.000 2.478 284 D HA 0.073 4.711 4.640 -0.003 0.000 0.274 284 D C 1.476 177.863 176.300 0.146 0.000 1.234 284 D CA -0.664 53.437 54.000 0.168 0.000 1.069 284 D CB 0.536 41.500 40.800 0.274 0.000 1.113 284 D HN 0.456 nan 8.370 nan 0.000 0.571 285 E N -0.690 119.653 120.200 0.239 0.000 2.265 285 E HA -0.162 4.186 4.350 -0.003 0.000 0.196 285 E C 1.426 177.881 176.600 -0.242 0.000 0.996 285 E CA 0.654 57.131 56.400 0.129 0.000 0.832 285 E CB -0.341 29.550 29.700 0.318 0.000 0.756 285 E HN 0.317 nan 8.360 nan 0.000 0.491 286 L N 0.292 121.373 121.223 -0.237 0.000 2.667 286 L HA 0.322 4.660 4.340 -0.003 0.000 0.232 286 L C 1.213 177.932 176.870 -0.252 0.000 1.138 286 L CA 0.904 55.473 54.840 -0.451 0.000 0.921 286 L CB 0.224 41.851 42.059 -0.721 0.000 1.180 286 L HN 0.341 nan 8.230 nan 0.000 0.487 287 G N 0.271 108.994 108.800 -0.129 0.000 2.168 287 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.257 287 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.257 287 G C 0.625 175.487 174.900 -0.064 0.000 0.997 287 G CA 0.337 45.391 45.100 -0.078 0.000 0.708 287 G HN 0.404 nan 8.290 nan 0.000 0.520 288 R N 0.371 120.839 120.500 -0.053 0.000 2.500 288 R HA 0.570 4.908 4.340 -0.003 0.000 0.277 288 R C 0.800 177.100 176.300 0.000 0.000 1.026 288 R CA 0.120 56.198 56.100 -0.037 0.000 1.058 288 R CB 1.073 31.344 30.300 -0.048 0.000 1.078 288 R HN 0.439 nan 8.270 nan 0.000 0.509 289 S N 2.145 117.837 115.700 -0.014 0.000 2.545 289 S HA 0.366 4.834 4.470 -0.003 0.000 0.275 289 S C -0.065 174.538 174.600 0.005 0.000 1.299 289 S CA -0.722 57.477 58.200 -0.003 0.000 1.048 289 S CB 0.588 63.780 63.200 -0.013 0.000 0.938 289 S HN 0.388 nan 8.310 nan 0.000 0.496 290 L N 3.555 124.792 121.223 0.023 0.000 2.362 290 L HA 0.527 4.865 4.340 -0.003 0.000 0.275 290 L C -2.369 174.503 176.870 0.004 0.000 0.998 290 L CA -2.652 52.212 54.840 0.040 0.000 0.820 290 L CB 2.535 44.650 42.059 0.093 0.000 1.270 290 L HN 0.512 nan 8.230 nan 0.000 0.415 291 P HA 0.084 nan 4.420 nan 0.000 0.271 291 P C -1.482 175.667 177.300 -0.253 0.000 1.218 291 P CA -0.353 62.641 63.100 -0.176 0.000 0.780 291 P CB 0.805 32.403 31.700 -0.171 0.000 0.901 292 Q N 2.244 121.820 119.800 -0.373 0.000 2.327 292 Q HA 0.325 4.663 4.340 -0.003 0.000 0.270 292 Q C -0.841 174.876 176.000 -0.471 0.000 1.022 292 Q CA -0.533 55.133 55.803 -0.229 0.000 0.773 292 Q CB 1.361 30.087 28.738 -0.021 0.000 1.251 292 Q HN 0.445 nan 8.270 nan 0.000 0.457 293 Y N 0.026 120.341 120.300 0.024 0.000 2.323 293 Y HA 0.228 4.776 4.550 -0.004 0.000 0.331 293 Y C 0.779 176.589 175.900 -0.149 0.000 1.092 293 Y CA -0.848 57.237 58.100 -0.026 0.000 1.150 293 Y CB 1.066 39.523 38.460 -0.005 0.000 1.200 293 Y HN 0.363 nan 8.280 nan 0.000 0.472 294 V N 3.506 123.433 119.914 0.023 0.000 2.720 294 V HA 0.268 4.386 4.120 -0.003 0.000 0.307 294 V C 0.189 176.101 176.094 -0.302 0.000 1.071 294 V CA -0.415 61.831 62.300 -0.088 0.000 1.199 294 V CB 0.046 31.876 31.823 0.012 0.000 0.900 294 V HN 0.890 nan 8.190 nan 0.000 0.494 295 A N 5.917 128.567 122.820 -0.283 0.000 2.316 295 A HA 0.638 4.956 4.320 -0.003 0.000 0.311 295 A C 0.267 177.691 177.584 -0.267 0.000 1.339 295 A CA 0.159 51.994 52.037 -0.337 0.000 0.960 295 A CB 0.653 19.498 19.000 -0.258 0.000 1.152 295 A HN 1.027 nan 8.150 nan 0.000 0.547 296 S N 1.760 117.240 115.700 -0.367 0.000 2.748 296 S HA 0.854 5.322 4.470 -0.003 0.000 0.299 296 S C -0.177 174.378 174.600 -0.076 0.000 1.119 296 S CA -0.474 57.621 58.200 -0.175 0.000 0.997 296 S CB 0.840 63.991 63.200 -0.081 0.000 1.223 296 S HN 0.864 nan 8.310 nan 0.000 0.541 297 K N -0.360 119.986 120.400 -0.090 0.000 2.533 297 K HA 0.390 4.708 4.320 -0.003 0.000 0.284 297 K C 0.248 176.455 176.600 -0.656 0.000 1.025 297 K CA -0.698 55.423 56.287 -0.276 0.000 0.900 297 K CB 0.215 32.622 32.500 -0.156 0.000 1.519 297 K HN 0.505 nan 8.250 nan 0.000 0.432 298 N N 0.352 118.444 118.700 -1.013 0.000 2.137 298 N HA -0.289 4.449 4.740 -0.003 0.000 0.190 298 N C 1.210 176.551 175.510 -0.281 0.000 1.017 298 N CA 2.263 54.771 53.050 -0.903 0.000 0.859 298 N CB -0.462 37.718 38.487 -0.511 0.000 1.002 298 N HN 0.610 nan 8.380 nan 0.000 0.428 299 S N -1.640 113.967 115.700 -0.155 0.000 2.489 299 S HA 0.127 4.595 4.470 -0.003 0.000 0.228 299 S C 1.338 176.025 174.600 0.143 0.000 0.995 299 S CA 0.197 58.399 58.200 0.003 0.000 0.934 299 S CB 0.038 63.236 63.200 -0.005 0.000 0.771 299 S HN 0.206 nan 8.310 nan 0.000 0.522 300 K N 0.724 121.143 120.400 0.033 0.000 2.355 300 K HA 0.358 4.676 4.320 -0.003 0.000 0.198 300 K C 1.650 178.221 176.600 -0.048 0.000 1.039 300 K CA 0.159 56.429 56.287 -0.028 0.000 1.075 300 K CB -0.206 32.270 32.500 -0.040 0.000 0.870 300 K HN 0.290 nan 8.250 nan 0.000 0.540 301 V N 3.509 123.487 119.914 0.107 0.000 2.469 301 V HA -0.259 3.859 4.120 -0.003 0.000 0.251 301 V C 2.513 178.660 176.094 0.088 0.000 1.064 301 V CA 2.090 64.525 62.300 0.226 0.000 1.066 301 V CB -0.549 31.480 31.823 0.344 0.000 0.667 301 V HN 0.444 nan 8.190 nan 0.000 0.461 302 H N -0.731 118.375 119.070 0.061 0.000 2.457 302 H HA -0.092 4.463 4.556 -0.003 0.000 0.294 302 H C 1.869 177.220 175.328 0.038 0.000 1.064 302 H CA 1.782 57.848 56.048 0.029 0.000 1.330 302 H CB -0.149 29.622 29.762 0.014 0.000 1.395 302 H HN 0.564 nan 8.280 nan 0.000 0.541 303 E N 0.249 120.099 120.200 -0.585 0.000 2.140 303 E HA -0.045 4.303 4.350 -0.003 0.000 0.191 303 E C 1.218 177.773 176.600 -0.075 0.000 0.973 303 E CA 0.683 56.896 56.400 -0.311 0.000 0.829 303 E CB 0.405 29.879 29.700 -0.375 0.000 0.781 303 E HN 0.453 nan 8.360 nan 0.000 0.466 304 D N -0.046 120.366 120.400 0.019 0.000 2.380 304 D HA 0.050 4.688 4.640 -0.003 0.000 0.212 304 D C 0.862 177.351 176.300 0.315 0.000 1.021 304 D CA 0.324 54.440 54.000 0.194 0.000 0.884 304 D CB 0.101 41.074 40.800 0.288 0.000 1.001 304 D HN 0.044 nan 8.370 nan 0.000 0.506 305 G N 0.315 109.207 108.800 0.153 0.000 2.572 305 G HA2 0.486 4.443 3.960 -0.003 0.000 0.261 305 G HA3 0.486 4.443 3.960 -0.003 0.000 0.261 305 G C 0.707 175.523 174.900 -0.141 0.000 1.197 305 G CA -0.372 44.621 45.100 -0.178 0.000 0.870 305 G HN -0.028 nan 8.290 nan 0.000 0.548 306 I N -0.025 120.392 120.570 -0.254 0.000 5.171 306 I HA 0.160 4.328 4.170 -0.003 0.000 0.240 306 I C 2.217 178.196 176.117 -0.230 0.000 0.879 306 I CA -0.419 60.782 61.300 -0.165 0.000 2.192 306 I CB -0.549 37.389 38.000 -0.104 0.000 1.482 306 I HN 0.432 nan 8.210 nan 0.000 0.484 307 L N 1.920 122.979 121.223 -0.273 0.000 2.043 307 L HA -0.169 4.169 4.340 -0.003 0.000 0.212 307 L C 2.419 179.055 176.870 -0.390 0.000 1.075 307 L CA 2.440 57.100 54.840 -0.300 0.000 0.752 307 L CB -0.822 41.038 42.059 -0.331 0.000 0.891 307 L HN 0.407 nan 8.230 nan 0.000 0.432 308 A N -0.761 121.705 122.820 -0.591 0.000 1.930 308 A HA -0.247 4.071 4.320 -0.003 0.000 0.217 308 A C 2.436 179.769 177.584 -0.418 0.000 1.175 308 A CA 1.821 53.458 52.037 -0.667 0.000 0.627 308 A CB -0.613 17.600 19.000 -1.311 0.000 0.815 308 A HN 0.556 nan 8.150 nan 0.000 0.443 309 K N -0.298 119.896 120.400 -0.343 0.000 2.002 309 K HA -0.216 4.102 4.320 -0.003 0.000 0.209 309 K C 1.671 178.207 176.600 -0.108 0.000 1.048 309 K CA 1.812 58.010 56.287 -0.149 0.000 0.930 309 K CB -0.253 32.190 32.500 -0.095 0.000 0.714 309 K HN 0.386 nan 8.250 nan 0.000 0.438 310 N N 0.844 119.466 118.700 -0.130 0.000 2.188 310 N HA -0.130 4.608 4.740 -0.003 0.000 0.184 310 N C 1.802 177.258 175.510 -0.090 0.000 1.018 310 N CA 1.214 54.212 53.050 -0.088 0.000 0.858 310 N CB -0.109 38.330 38.487 -0.081 0.000 0.989 310 N HN 0.363 nan 8.380 nan 0.000 0.426 311 Q N -0.000 119.715 119.800 -0.141 0.000 2.049 311 Q HA -0.001 4.337 4.340 -0.003 0.000 0.198 311 Q C 2.026 177.959 176.000 -0.112 0.000 0.971 311 Q CA 0.987 56.705 55.803 -0.141 0.000 0.833 311 Q CB 0.017 28.622 28.738 -0.221 0.000 0.896 311 Q HN 0.128 nan 8.270 nan 0.000 0.434 312 V N 1.071 120.918 119.914 -0.111 0.000 2.343 312 V HA -0.264 3.854 4.120 -0.003 0.000 0.247 312 V C 2.006 178.087 176.094 -0.023 0.000 1.051 312 V CA 1.919 64.188 62.300 -0.051 0.000 1.036 312 V CB -0.489 31.348 31.823 0.023 0.000 0.654 312 V HN 0.357 nan 8.190 nan 0.000 0.451 313 E N 0.043 120.230 120.200 -0.022 0.000 2.058 313 E HA -0.308 4.040 4.350 -0.003 0.000 0.194 313 E C 2.253 178.842 176.600 -0.019 0.000 0.997 313 E CA 1.832 58.225 56.400 -0.012 0.000 0.801 313 E CB -0.108 29.587 29.700 -0.008 0.000 0.746 313 E HN 0.522 nan 8.360 nan 0.000 0.450 314 K N -0.168 120.216 120.400 -0.028 0.000 2.148 314 K HA -0.073 4.245 4.320 -0.003 0.000 0.204 314 K C 1.788 178.374 176.600 -0.023 0.000 1.050 314 K CA 1.151 57.424 56.287 -0.023 0.000 0.942 314 K CB -0.041 32.446 32.500 -0.022 0.000 0.724 314 K HN 0.130 nan 8.250 nan 0.000 0.446 315 A N 0.108 122.909 122.820 -0.032 0.000 1.930 315 A HA -0.027 4.291 4.320 -0.003 0.000 0.215 315 A C 2.172 179.743 177.584 -0.021 0.000 1.176 315 A CA 1.208 53.226 52.037 -0.032 0.000 0.632 315 A CB -0.468 18.503 19.000 -0.049 0.000 0.819 315 A HN 0.127 nan 8.150 nan 0.000 0.445 316 V N 0.081 119.985 119.914 -0.017 0.000 2.261 316 V HA -0.245 3.873 4.120 -0.003 0.000 0.246 316 V C 2.914 179.000 176.094 -0.013 0.000 1.047 316 V CA 2.396 64.689 62.300 -0.012 0.000 1.015 316 V CB -0.945 30.872 31.823 -0.009 0.000 0.642 316 V HN 0.734 nan 8.190 nan 0.000 0.446 317 S N 0.448 116.139 115.700 -0.014 0.000 2.372 317 S HA -0.304 4.164 4.470 -0.003 0.000 0.227 317 S C 1.584 176.178 174.600 -0.011 0.000 1.044 317 S CA 2.280 60.472 58.200 -0.013 0.000 1.050 317 S CB -0.672 62.521 63.200 -0.012 0.000 0.901 317 S HN 0.636 nan 8.310 nan 0.000 0.447 318 D N 0.667 121.060 120.400 -0.011 0.000 2.392 318 D HA 0.223 4.860 4.640 -0.003 0.000 0.228 318 D C 1.411 177.706 176.300 -0.009 0.000 1.003 318 D CA 1.046 55.040 54.000 -0.009 0.000 0.917 318 D CB -0.306 40.488 40.800 -0.010 0.000 0.890 318 D HN 0.686 nan 8.370 nan 0.000 0.532 319 G N -0.057 108.737 108.800 -0.009 0.000 2.184 319 G HA2 -0.264 3.693 3.960 -0.003 0.000 0.206 319 G HA3 -0.264 3.693 3.960 -0.003 0.000 0.206 319 G C 0.319 175.214 174.900 -0.007 0.000 0.995 319 G CA 0.039 45.134 45.100 -0.008 0.000 0.651 319 G HN 0.319 nan 8.290 nan 0.000 0.511 320 M N 2.277 121.872 119.600 -0.009 0.000 2.250 320 M HA 0.458 4.936 4.480 -0.003 0.000 0.344 320 M C 0.615 176.912 176.300 -0.004 0.000 1.150 320 M CA -0.394 54.901 55.300 -0.008 0.000 1.147 320 M CB 0.456 33.047 32.600 -0.014 0.000 1.498 320 M HN 0.364 nan 8.290 nan 0.000 0.461 321 D N 2.657 123.058 120.400 0.000 0.000 2.371 321 D HA 0.013 4.651 4.640 -0.003 0.000 0.242 321 D C 0.660 176.967 176.300 0.011 0.000 1.218 321 D CA -0.546 53.456 54.000 0.004 0.000 0.945 321 D CB 0.549 41.352 40.800 0.005 0.000 1.137 321 D HN 0.522 nan 8.370 nan 0.000 0.464 322 L N 0.306 121.537 121.223 0.013 0.000 2.017 322 L HA -0.108 4.230 4.340 -0.003 0.000 0.208 322 L C 2.125 179.029 176.870 0.057 0.000 1.073 322 L CA 1.901 56.757 54.840 0.025 0.000 0.745 322 L CB -0.983 41.079 42.059 0.005 0.000 0.894 322 L HN 0.650 nan 8.230 nan 0.000 0.432 323 K N -0.590 119.838 120.400 0.047 0.000 2.063 323 K HA -0.222 4.096 4.320 -0.003 0.000 0.208 323 K C 1.831 178.484 176.600 0.087 0.000 1.048 323 K CA 2.180 58.511 56.287 0.074 0.000 0.928 323 K CB -0.117 32.414 32.500 0.052 0.000 0.713 323 K HN 0.514 nan 8.250 nan 0.000 0.442 324 N N -0.391 118.338 118.700 0.048 0.000 2.333 324 N HA -0.040 4.698 4.740 -0.003 0.000 0.178 324 N C 1.625 177.126 175.510 -0.015 0.000 1.018 324 N CA 0.707 53.769 53.050 0.020 0.000 0.882 324 N CB 0.025 38.519 38.487 0.011 0.000 0.984 324 N HN 0.204 nan 8.380 nan 0.000 0.434 325 A N 0.387 123.207 122.820 0.000 0.000 1.877 325 A HA -0.194 4.124 4.320 -0.003 0.000 0.216 325 A C 1.983 179.535 177.584 -0.054 0.000 1.186 325 A CA 1.158 53.178 52.037 -0.029 0.000 0.620 325 A CB -0.937 18.061 19.000 -0.004 0.000 0.822 325 A HN 0.447 nan 8.150 nan 0.000 0.443 326 Y N 0.599 120.837 120.300 -0.104 0.000 2.200 326 Y HA 0.003 4.552 4.550 -0.003 0.000 0.290 326 Y C 2.449 178.224 175.900 -0.209 0.000 1.137 326 Y CA 1.457 59.484 58.100 -0.121 0.000 1.163 326 Y CB -0.554 37.887 38.460 -0.031 0.000 0.988 326 Y HN 0.243 nan 8.280 nan 0.000 0.518 327 G N -1.311 107.445 108.800 -0.074 0.000 2.511 327 G HA2 -0.091 3.867 3.960 -0.003 0.000 0.217 327 G HA3 -0.091 3.867 3.960 -0.003 0.000 0.217 327 G C 1.256 175.974 174.900 -0.303 0.000 1.133 327 G CA 0.770 45.793 45.100 -0.129 0.000 0.792 327 G HN 0.381 nan 8.290 nan 0.000 0.539 328 Q N -1.030 118.576 119.800 -0.325 0.000 2.279 328 Q HA 0.190 4.528 4.340 -0.003 0.000 0.261 328 Q C 1.855 177.653 176.000 -0.338 0.000 0.796 328 Q CA -0.117 55.517 55.803 -0.282 0.000 0.971 328 Q CB 0.412 29.072 28.738 -0.130 0.000 1.179 328 Q HN 0.219 nan 8.270 nan 0.000 0.505 329 R N 1.032 121.331 120.500 -0.335 0.000 2.334 329 R HA 0.247 4.585 4.340 -0.003 0.000 0.216 329 R C 0.159 176.264 176.300 -0.326 0.000 0.905 329 R CA -0.009 55.934 56.100 -0.262 0.000 1.064 329 R CB 0.444 30.643 30.300 -0.168 0.000 1.046 329 R HN 0.086 nan 8.270 nan 0.000 0.508 330 R N 0.825 121.014 120.500 -0.518 0.000 2.340 330 R HA 0.209 4.547 4.340 -0.003 0.000 0.300 330 R C -0.027 176.090 176.300 -0.304 0.000 1.069 330 R CA -0.069 55.739 56.100 -0.487 0.000 0.984 330 R CB 1.011 30.939 30.300 -0.621 0.000 1.003 330 R HN -0.146 nan 8.270 nan 0.000 0.459 331 S N 1.677 117.204 115.700 -0.290 0.000 2.533 331 S HA 0.045 4.513 4.470 -0.003 0.000 0.282 331 S C 0.199 174.766 174.600 -0.055 0.000 1.304 331 S CA -0.182 57.895 58.200 -0.205 0.000 1.063 331 S CB 0.780 63.676 63.200 -0.507 0.000 0.881 331 S HN 0.483 nan 8.310 nan 0.000 0.493 332 S N 2.490 118.224 115.700 0.056 0.000 2.608 332 S HA 0.201 4.669 4.470 -0.003 0.000 0.261 332 S C 1.455 176.030 174.600 -0.042 0.000 1.314 332 S CA -0.676 57.534 58.200 0.016 0.000 0.992 332 S CB 0.482 63.693 63.200 0.018 0.000 0.935 332 S HN 0.667 nan 8.310 nan 0.000 0.564 333 L N 0.683 121.876 121.223 -0.049 0.000 2.095 333 L HA 0.302 4.640 4.340 -0.003 0.000 0.204 333 L C 0.647 177.458 176.870 -0.099 0.000 1.080 333 L CA 1.250 56.050 54.840 -0.067 0.000 0.759 333 L CB 0.039 42.068 42.059 -0.049 0.000 0.914 333 L HN 0.604 nan 8.230 nan 0.000 0.439 334 M N -1.001 118.537 119.600 -0.104 0.000 2.322 334 M HA 0.319 4.797 4.480 -0.003 0.000 0.286 334 M C -1.641 174.560 176.300 -0.165 0.000 1.111 334 M CA -0.324 54.888 55.300 -0.148 0.000 0.941 334 M CB 2.141 34.659 32.600 -0.136 0.000 1.671 334 M HN -0.202 nan 8.290 nan 0.000 0.470 335 T N 5.801 120.228 114.554 -0.212 0.000 2.985 335 T HA 0.501 4.849 4.350 -0.003 0.000 0.315 335 T C -0.917 173.636 174.700 -0.245 0.000 1.001 335 T CA -0.504 61.436 62.100 -0.266 0.000 1.016 335 T CB 0.724 69.352 68.868 -0.401 0.000 0.993 335 T HN 0.557 nan 8.240 nan 0.000 0.454 336 L N 3.442 124.547 121.223 -0.196 0.000 2.287 336 L HA 0.685 5.023 4.340 -0.003 0.000 0.287 336 L C 0.263 177.078 176.870 -0.092 0.000 1.022 336 L CA -0.818 53.931 54.840 -0.153 0.000 0.814 336 L CB 1.465 43.460 42.059 -0.106 0.000 1.217 336 L HN 0.379 nan 8.230 nan 0.000 0.420 337 R N 2.385 122.866 120.500 -0.032 0.000 2.514 337 R HA 0.521 4.859 4.340 -0.003 0.000 0.296 337 R C 0.344 176.758 176.300 0.190 0.000 1.012 337 R CA 0.140 56.270 56.100 0.050 0.000 0.897 337 R CB 1.808 32.115 30.300 0.012 0.000 1.184 337 R HN 0.806 nan 8.270 nan 0.000 0.440 338 G N 2.191 111.069 108.800 0.129 0.000 2.149 338 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.235 338 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.235 338 G C -0.404 174.586 174.900 0.151 0.000 1.018 338 G CA 0.168 45.336 45.100 0.113 0.000 0.728 338 G HN 0.441 nan 8.290 nan 0.000 0.508 339 V N 0.239 120.240 119.914 0.145 0.000 2.383 339 V HA 0.533 4.651 4.120 -0.003 0.000 0.275 339 V C 0.509 176.647 176.094 0.072 0.000 1.036 339 V CA -0.643 61.753 62.300 0.160 0.000 0.889 339 V CB 1.679 33.581 31.823 0.132 0.000 0.985 339 V HN 0.424 nan 8.190 nan 0.000 0.459 340 E N 5.982 126.229 120.200 0.079 0.000 2.070 340 E HA 0.270 4.618 4.350 -0.003 0.000 0.282 340 E C -0.438 176.244 176.600 0.136 0.000 1.104 340 E CA 0.054 56.512 56.400 0.097 0.000 0.876 340 E CB -0.156 29.603 29.700 0.098 0.000 1.055 340 E HN 0.668 nan 8.360 nan 0.000 0.401 341 N N 2.396 121.193 118.700 0.161 0.000 3.118 341 N HA -0.112 4.626 4.740 -0.003 0.000 0.273 341 N C -1.614 173.989 175.510 0.155 0.000 1.781 341 N CA 0.511 53.659 53.050 0.164 0.000 1.752 341 N CB -1.076 37.500 38.487 0.149 0.000 0.755 341 N HN 0.207 nan 8.380 nan 0.000 0.493 342 V N 3.078 123.099 119.914 0.177 0.000 2.588 342 V HA 0.555 4.673 4.120 -0.003 0.000 0.304 342 V C -0.708 175.530 176.094 0.240 0.000 1.042 342 V CA -0.709 61.692 62.300 0.169 0.000 0.877 342 V CB 2.046 33.955 31.823 0.144 0.000 0.996 342 V HN 0.575 nan 8.190 nan 0.000 0.425 343 Y N 5.734 126.071 120.300 0.061 0.000 2.338 343 Y HA 0.744 5.292 4.550 -0.003 0.000 0.333 343 Y C -1.121 174.803 175.900 0.040 0.000 0.968 343 Y CA -1.023 57.105 58.100 0.047 0.000 1.123 343 Y CB 1.563 40.040 38.460 0.029 0.000 1.165 343 Y HN 0.544 nan 8.280 nan 0.000 0.452 344 L N 6.375 127.315 121.223 -0.473 0.000 2.325 344 L HA 0.955 5.293 4.340 -0.003 0.000 0.281 344 L C -0.557 175.829 176.870 -0.807 0.000 1.004 344 L CA -0.942 53.658 54.840 -0.399 0.000 0.823 344 L CB 1.542 43.511 42.059 -0.149 0.000 1.236 344 L HN 0.757 nan 8.230 nan 0.000 0.415 345 A N 1.480 123.896 122.820 -0.672 0.000 2.515 345 A HA 0.804 5.122 4.320 -0.003 0.000 0.298 345 A C 0.592 177.912 177.584 -0.440 0.000 1.059 345 A CA 0.206 51.862 52.037 -0.634 0.000 0.698 345 A CB 1.742 20.420 19.000 -0.537 0.000 1.289 345 A HN 0.969 nan 8.150 nan 0.000 0.404 346 G N 0.197 108.727 108.800 -0.450 0.000 2.396 346 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.242 346 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.242 346 G C 0.318 175.074 174.900 -0.240 0.000 1.069 346 G CA 0.894 45.837 45.100 -0.262 0.000 0.633 346 G HN 2.128 nan 8.290 nan 0.000 0.517 347 F N 1.799 121.615 119.950 -0.223 0.000 2.406 347 F HA 0.744 5.269 4.527 -0.004 0.000 0.327 347 F C 0.376 176.030 175.800 -0.244 0.000 1.153 347 F CA -0.349 57.529 58.000 -0.202 0.000 1.218 347 F CB 0.391 39.282 39.000 -0.180 0.000 1.215 347 F HN 0.021 nan 8.300 nan 0.000 0.570 348 T N 2.348 116.956 114.554 0.089 0.000 2.829 348 T HA 0.556 4.904 4.350 -0.003 0.000 0.282 348 T C -0.595 174.153 174.700 0.079 0.000 0.990 348 T CA -0.559 61.531 62.100 -0.017 0.000 1.028 348 T CB 1.475 70.324 68.868 -0.031 0.000 0.951 348 T HN 0.550 nan 8.240 nan 0.000 0.460 349 V N 4.689 124.606 119.914 0.005 0.000 2.417 349 V HA 0.576 4.694 4.120 -0.003 0.000 0.291 349 V C 0.102 176.235 176.094 0.065 0.000 1.024 349 V CA -0.756 61.578 62.300 0.057 0.000 0.861 349 V CB 1.468 33.340 31.823 0.082 0.000 0.985 349 V HN 0.729 nan 8.190 nan 0.000 0.436 350 R N 2.793 123.319 120.500 0.043 0.000 2.795 350 R HA 0.461 4.799 4.340 -0.003 0.000 0.275 350 R C 0.159 176.375 176.300 -0.140 0.000 0.981 350 R CA -0.862 55.262 56.100 0.039 0.000 0.917 350 R CB 1.511 31.888 30.300 0.127 0.000 1.202 350 R HN 0.861 nan 8.270 nan 0.000 0.469 351 N N 1.199 119.616 118.700 -0.471 0.000 2.714 351 N HA -0.122 4.616 4.740 -0.003 0.000 0.253 351 N C -2.433 172.934 175.510 -0.238 0.000 1.024 351 N CA -0.450 52.165 53.050 -0.724 0.000 0.726 351 N CB -0.060 38.006 38.487 -0.702 0.000 0.908 351 N HN 0.239 nan 8.380 nan 0.000 0.542 352 P HA 0.110 nan 4.420 nan 0.000 0.275 352 P C 0.347 177.663 177.300 0.027 0.000 1.228 352 P CA 0.020 63.102 63.100 -0.031 0.000 0.786 352 P CB 1.122 32.828 31.700 0.011 0.000 0.927 353 A N 2.099 124.853 122.820 -0.109 0.000 2.066 353 A HA -0.022 4.296 4.320 -0.003 0.000 0.218 353 A C 1.006 178.609 177.584 0.031 0.000 1.157 353 A CA 1.332 53.226 52.037 -0.239 0.000 0.670 353 A CB -0.762 18.008 19.000 -0.384 0.000 0.804 353 A HN 0.575 nan 8.150 nan 0.000 0.453 354 F N -1.773 118.103 119.950 -0.123 0.000 2.589 354 F HA 0.371 4.896 4.527 -0.003 0.000 0.185 354 F C 0.305 176.039 175.800 -0.109 0.000 1.459 354 F CA -1.813 56.075 58.000 -0.186 0.000 1.115 354 F CB -0.579 38.216 39.000 -0.342 0.000 1.969 354 F HN 0.189 nan 8.300 nan 0.000 0.171 355 H N -0.007 118.782 119.070 -0.469 0.000 2.757 355 H HA 0.405 4.959 4.556 -0.003 0.000 0.370 355 H C 0.779 175.997 175.328 -0.183 0.000 1.172 355 H CA 0.113 55.922 56.048 -0.399 0.000 1.426 355 H CB 0.301 29.745 29.762 -0.530 0.000 1.438 355 H HN 0.613 nan 8.280 nan 0.000 0.612 356 G N 1.000 109.796 108.800 -0.007 0.000 2.948 356 G HA2 0.091 4.049 3.960 -0.003 0.000 0.174 356 G HA3 0.091 4.049 3.960 -0.003 0.000 0.174 356 G C 0.098 174.974 174.900 -0.039 0.000 1.839 356 G CA -0.404 44.691 45.100 -0.008 0.000 0.908 356 G HN 0.530 nan 8.290 nan 0.000 0.419 357 I N 1.399 121.935 120.570 -0.057 0.000 2.325 357 I HA 0.308 4.476 4.170 -0.003 0.000 0.291 357 I C -0.164 175.827 176.117 -0.210 0.000 1.019 357 I CA 0.189 61.432 61.300 -0.096 0.000 1.302 357 I CB 1.386 39.362 38.000 -0.040 0.000 1.401 357 I HN 0.165 nan 8.210 nan 0.000 0.485 358 M N 6.357 125.838 119.600 -0.198 0.000 2.294 358 M HA 0.410 4.888 4.480 -0.003 0.000 0.335 358 M C -0.741 175.435 176.300 -0.207 0.000 1.079 358 M CA -0.443 54.716 55.300 -0.235 0.000 0.982 358 M CB 1.504 33.981 32.600 -0.204 0.000 1.651 358 M HN 0.455 nan 8.290 nan 0.000 0.437 359 N N 4.729 123.311 118.700 -0.196 0.000 2.442 359 N HA 0.572 5.310 4.740 -0.003 0.000 0.274 359 N C -1.663 173.857 175.510 0.017 0.000 1.002 359 N CA -0.337 52.680 53.050 -0.055 0.000 0.910 359 N CB 2.132 40.662 38.487 0.071 0.000 1.244 359 N HN 0.568 nan 8.380 nan 0.000 0.492 360 L N 1.506 122.734 121.223 0.009 0.000 2.372 360 L HA 0.357 4.695 4.340 -0.003 0.000 0.274 360 L C 0.441 177.360 176.870 0.081 0.000 0.988 360 L CA -0.511 54.354 54.840 0.042 0.000 0.833 360 L CB 1.391 43.428 42.059 -0.036 0.000 1.236 360 L HN 0.505 nan 8.230 nan 0.000 0.410 361 E N 1.040 121.317 120.200 0.129 0.000 2.389 361 E HA -0.192 4.156 4.350 -0.003 0.000 0.243 361 E C -0.526 176.101 176.600 0.044 0.000 1.154 361 E CA 0.243 56.708 56.400 0.109 0.000 0.723 361 E CB -0.847 28.908 29.700 0.091 0.000 1.261 361 E HN 0.632 nan 8.360 nan 0.000 0.390 362 N N 0.122 118.881 118.700 0.098 0.000 2.443 362 N HA 0.454 5.192 4.740 -0.003 0.000 0.293 362 N C -0.424 175.182 175.510 0.160 0.000 1.159 362 N CA -0.203 52.889 53.050 0.071 0.000 0.904 362 N CB 0.893 39.468 38.487 0.147 0.000 1.214 362 N HN 0.186 nan 8.380 nan 0.000 0.513 363 H N -0.049 119.104 119.070 0.138 0.000 2.622 363 H HA 0.389 4.943 4.556 -0.003 0.000 0.363 363 H C -0.496 174.911 175.328 0.130 0.000 1.151 363 H CA -0.970 55.151 56.048 0.123 0.000 1.184 363 H CB 1.184 31.009 29.762 0.104 0.000 1.643 363 H HN 0.421 nan 8.280 nan 0.000 0.531 364 N N 0.631 119.487 118.700 0.260 0.000 2.708 364 N HA -0.150 4.588 4.740 -0.003 0.000 0.255 364 N C -1.194 174.444 175.510 0.214 0.000 1.046 364 N CA 0.327 53.501 53.050 0.207 0.000 0.715 364 N CB -1.323 37.280 38.487 0.194 0.000 0.895 364 N HN 0.196 nan 8.380 nan 0.000 0.545 365 V N 0.445 120.488 119.914 0.214 0.000 2.394 365 V HA 0.492 4.610 4.120 -0.003 0.000 0.282 365 V C 0.753 176.993 176.094 0.244 0.000 1.031 365 V CA -0.739 61.708 62.300 0.245 0.000 0.881 365 V CB 2.097 34.118 31.823 0.330 0.000 0.982 365 V HN 0.086 nan 8.190 nan 0.000 0.451 366 V N 3.844 123.917 119.914 0.265 0.000 2.495 366 V HA 0.803 4.921 4.120 -0.003 0.000 0.298 366 V C 0.220 176.374 176.094 0.099 0.000 1.031 366 V CA -0.534 61.926 62.300 0.267 0.000 0.871 366 V CB 1.789 33.874 31.823 0.436 0.000 0.988 366 V HN 0.973 nan 8.190 nan 0.000 0.432 367 A N 3.799 126.615 122.820 -0.005 0.000 2.323 367 A HA 0.720 5.038 4.320 -0.003 0.000 0.305 367 A C -0.502 176.781 177.584 -0.501 0.000 1.275 367 A CA -0.489 51.416 52.037 -0.221 0.000 0.804 367 A CB 0.438 19.403 19.000 -0.059 0.000 1.152 367 A HN 0.746 nan 8.150 nan 0.000 0.487 368 N N 1.716 119.996 118.700 -0.699 0.000 2.443 368 N HA 0.480 5.218 4.740 -0.003 0.000 0.269 368 N C 0.651 175.745 175.510 -0.693 0.000 0.985 368 N CA 0.654 53.115 53.050 -0.982 0.000 0.921 368 N CB 1.273 39.248 38.487 -0.853 0.000 1.195 368 N HN 1.360 nan 8.380 nan 0.000 0.492 369 G N 2.694 111.125 108.800 -0.615 0.000 2.249 369 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.273 369 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.273 369 G C -0.087 174.522 174.900 -0.485 0.000 1.036 369 G CA 0.436 45.279 45.100 -0.429 0.000 0.824 369 G HN 0.546 nan 8.290 nan 0.000 0.504 370 L N -0.758 120.092 121.223 -0.621 0.000 2.452 370 L HA 0.520 4.858 4.340 -0.003 0.000 0.267 370 L C 0.931 177.378 176.870 -0.705 0.000 1.188 370 L CA -0.339 54.015 54.840 -0.809 0.000 0.821 370 L CB 0.840 42.305 42.059 -0.990 0.000 1.102 370 L HN 0.086 nan 8.230 nan 0.000 0.470 371 I N 1.893 122.064 120.570 -0.664 0.000 2.382 371 I HA 0.233 4.401 4.170 -0.003 0.000 0.285 371 I C -0.403 175.463 176.117 -0.419 0.000 1.007 371 I CA -0.331 60.732 61.300 -0.394 0.000 1.142 371 I CB 0.808 38.655 38.000 -0.256 0.000 1.289 371 I HN 0.466 nan 8.210 nan 0.000 0.453 372 H N 6.808 125.834 119.070 -0.073 0.000 2.556 372 H HA 0.395 4.949 4.556 -0.003 0.000 0.310 372 H C -0.787 174.635 175.328 0.157 0.000 1.057 372 H CA -0.532 55.512 56.048 -0.006 0.000 1.264 372 H CB 1.328 31.047 29.762 -0.072 0.000 1.404 372 H HN 0.535 nan 8.280 nan 0.000 0.462 373 Q N 1.978 121.927 119.800 0.248 0.000 2.932 373 Q HA 0.165 4.503 4.340 -0.003 0.000 0.248 373 Q C 0.056 176.275 176.000 0.364 0.000 0.982 373 Q CA -0.342 55.640 55.803 0.299 0.000 0.730 373 Q CB 1.149 30.024 28.738 0.229 0.000 1.249 373 Q HN 0.776 nan 8.270 nan 0.000 0.476 374 T N -3.027 111.738 114.554 0.351 0.000 3.275 374 T HA 0.129 4.477 4.350 -0.003 0.000 0.298 374 T C -0.341 174.556 174.700 0.327 0.000 0.988 374 T CA -0.317 61.975 62.100 0.320 0.000 0.936 374 T CB -0.081 68.880 68.868 0.156 0.000 1.159 374 T HN 0.383 nan 8.240 nan 0.000 0.519 375 Y N 2.250 122.686 120.300 0.227 0.000 2.377 375 Y HA 0.479 5.027 4.550 -0.003 0.000 0.330 375 Y C -0.111 175.873 175.900 0.139 0.000 1.108 375 Y CA -0.489 57.689 58.100 0.129 0.000 1.308 375 Y CB 1.009 39.525 38.460 0.093 0.000 1.216 375 Y HN 0.098 nan 8.280 nan 0.000 0.518 376 D N 5.411 125.529 120.400 -0.470 0.000 2.943 376 D HA 0.268 4.905 4.640 -0.003 0.000 0.347 376 D C -0.722 175.310 176.300 -0.447 0.000 1.305 376 D CA -0.295 53.239 54.000 -0.776 0.000 0.870 376 D CB -0.276 39.721 40.800 -1.338 0.000 1.081 376 D HN 0.708 nan 8.370 nan 0.000 0.492 377 A N 1.750 124.391 122.820 -0.299 0.000 2.537 377 A HA 0.098 4.416 4.320 -0.003 0.000 0.260 377 A C 0.636 178.026 177.584 -0.324 0.000 1.082 377 A CA -0.184 51.574 52.037 -0.465 0.000 0.765 377 A CB -0.162 18.745 19.000 -0.156 0.000 1.019 377 A HN 0.411 nan 8.150 nan 0.000 0.507 378 N N 2.226 120.673 118.700 -0.422 0.000 2.468 378 N HA 0.041 4.779 4.740 -0.003 0.000 0.265 378 N C 0.409 175.965 175.510 0.077 0.000 1.199 378 N CA 1.055 54.036 53.050 -0.115 0.000 0.928 378 N CB -0.439 38.032 38.487 -0.026 0.000 1.059 378 N HN 0.711 nan 8.380 nan 0.000 0.467 379 N N 0.324 119.058 118.700 0.057 0.000 2.878 379 N HA -0.152 4.586 4.740 -0.003 0.000 0.247 379 N C 0.007 175.556 175.510 0.064 0.000 1.021 379 N CA 0.924 54.036 53.050 0.103 0.000 0.873 379 N CB -1.346 37.290 38.487 0.250 0.000 1.128 379 N HN 0.566 nan 8.380 nan 0.000 0.571 380 G N 0.794 109.587 108.800 -0.011 0.000 3.316 380 G HA2 0.256 4.214 3.960 -0.003 0.000 0.255 380 G HA3 0.256 4.214 3.960 -0.003 0.000 0.255 380 G C -0.058 174.803 174.900 -0.064 0.000 0.880 380 G CA -0.211 44.884 45.100 -0.009 0.000 1.956 380 G HN 0.445 nan 8.290 nan 0.000 0.634 381 D N 0.165 120.500 120.400 -0.108 0.000 2.362 381 D HA 0.300 4.938 4.640 -0.003 0.000 0.242 381 D C 1.432 177.647 176.300 -0.142 0.000 1.132 381 D CA -0.026 53.866 54.000 -0.179 0.000 0.907 381 D CB 0.996 41.624 40.800 -0.286 0.000 1.195 381 D HN 0.045 nan 8.370 nan 0.000 0.429 382 G N 0.371 109.079 108.800 -0.153 0.000 2.454 382 G HA2 0.077 4.035 3.960 -0.003 0.000 0.214 382 G HA3 0.077 4.035 3.960 -0.003 0.000 0.214 382 G C 0.487 175.252 174.900 -0.225 0.000 1.217 382 G CA 0.254 45.240 45.100 -0.189 0.000 0.799 382 G HN 0.573 nan 8.290 nan 0.000 0.538 383 I N 0.151 120.553 120.570 -0.281 0.000 2.534 383 I HA 0.342 4.510 4.170 -0.003 0.000 0.288 383 I C -1.305 174.458 176.117 -0.590 0.000 1.077 383 I CA -0.555 60.488 61.300 -0.428 0.000 1.051 383 I CB 2.776 40.476 38.000 -0.500 0.000 1.234 383 I HN 0.053 nan 8.210 nan 0.000 0.425 384 E N 5.091 124.922 120.200 -0.615 0.000 2.191 384 E HA 0.542 4.890 4.350 -0.003 0.000 0.278 384 E C -1.573 174.638 176.600 -0.647 0.000 0.972 384 E CA -0.606 55.463 56.400 -0.551 0.000 0.804 384 E CB 2.014 31.465 29.700 -0.415 0.000 1.110 384 E HN 0.273 nan 8.360 nan 0.000 0.394 385 F N 0.900 120.725 119.950 -0.209 0.000 2.477 385 F HA 0.479 5.004 4.527 -0.003 0.000 0.335 385 F C 0.564 176.405 175.800 0.069 0.000 1.130 385 F CA -0.680 57.293 58.000 -0.044 0.000 0.948 385 F CB 2.176 41.180 39.000 0.007 0.000 1.154 385 F HN 0.422 nan 8.300 nan 0.000 0.439 386 G N 2.513 111.472 108.800 0.265 0.000 2.683 386 G HA2 0.285 4.243 3.960 -0.003 0.000 0.299 386 G HA3 0.285 4.243 3.960 -0.003 0.000 0.299 386 G C -0.326 174.737 174.900 0.272 0.000 1.432 386 G CA -0.837 44.415 45.100 0.253 0.000 0.978 386 G HN 0.688 nan 8.290 nan 0.000 0.513 387 N N 0.487 119.358 118.700 0.285 0.000 2.716 387 N HA -0.184 4.554 4.740 -0.003 0.000 0.250 387 N C 0.227 175.884 175.510 0.246 0.000 1.033 387 N CA 1.417 54.617 53.050 0.250 0.000 0.727 387 N CB -0.576 38.056 38.487 0.241 0.000 0.950 387 N HN 0.433 nan 8.380 nan 0.000 0.541 388 S N 0.044 115.906 115.700 0.270 0.000 2.704 388 S HA 0.625 5.093 4.470 -0.003 0.000 0.305 388 S C 0.013 174.761 174.600 0.247 0.000 1.107 388 S CA -0.708 57.664 58.200 0.286 0.000 0.993 388 S CB 2.488 65.878 63.200 0.316 0.000 1.110 388 S HN 0.186 nan 8.310 nan 0.000 0.534 389 Q N 1.293 121.251 119.800 0.264 0.000 2.359 389 Q HA 0.516 4.854 4.340 -0.003 0.000 0.274 389 Q C -1.002 175.056 176.000 0.098 0.000 1.074 389 Q CA -0.679 55.195 55.803 0.118 0.000 0.810 389 Q CB 1.232 29.963 28.738 -0.011 0.000 1.342 389 Q HN 0.626 nan 8.270 nan 0.000 0.427 390 N N 0.551 119.277 118.700 0.044 0.000 2.573 390 N HA -0.133 4.605 4.740 -0.003 0.000 0.275 390 N C -1.468 174.086 175.510 0.072 0.000 1.208 390 N CA 0.782 53.867 53.050 0.058 0.000 0.688 390 N CB -0.492 38.032 38.487 0.062 0.000 0.882 390 N HN 0.479 nan 8.380 nan 0.000 0.548 391 V N 0.758 120.673 119.914 0.002 0.000 2.769 391 V HA 0.892 5.010 4.120 -0.003 0.000 0.312 391 V C 0.023 176.121 176.094 0.007 0.000 1.061 391 V CA -0.905 61.324 62.300 -0.118 0.000 0.931 391 V CB 2.536 33.934 31.823 -0.710 0.000 1.010 391 V HN 0.374 nan 8.190 nan 0.000 0.433 392 M N 4.608 124.258 119.600 0.083 0.000 2.324 392 M HA 0.750 5.228 4.480 -0.003 0.000 0.288 392 M C -2.282 174.117 176.300 0.165 0.000 1.097 392 M CA -0.473 54.955 55.300 0.214 0.000 0.928 392 M CB 2.211 35.007 32.600 0.326 0.000 1.648 392 M HN 0.665 nan 8.290 nan 0.000 0.460 393 V N 6.277 126.258 119.914 0.111 0.000 2.483 393 V HA 0.661 4.779 4.120 -0.003 0.000 0.297 393 V C -1.059 174.908 176.094 -0.212 0.000 1.027 393 V CA -0.474 61.841 62.300 0.024 0.000 0.855 393 V CB 1.371 33.318 31.823 0.206 0.000 0.995 393 V HN 0.784 nan 8.190 nan 0.000 0.424 394 F N 2.440 122.088 119.950 -0.503 0.000 2.613 394 F HA 0.731 5.256 4.527 -0.003 0.000 0.310 394 F C 0.334 175.871 175.800 -0.439 0.000 1.085 394 F CA -0.990 56.554 58.000 -0.760 0.000 0.945 394 F CB 1.660 39.752 39.000 -1.514 0.000 1.298 394 F HN 0.337 nan 8.300 nan 0.000 0.455 395 N N 0.233 118.775 118.700 -0.262 0.000 2.828 395 N HA -0.251 4.487 4.740 -0.003 0.000 0.248 395 N C -0.881 174.478 175.510 -0.251 0.000 1.044 395 N CA 0.915 53.848 53.050 -0.195 0.000 0.851 395 N CB -1.552 36.837 38.487 -0.164 0.000 1.136 395 N HN 0.864 nan 8.380 nan 0.000 0.572 396 N N -0.215 118.294 118.700 -0.318 0.000 2.525 396 N HA 0.257 4.995 4.740 -0.003 0.000 0.271 396 N C -0.546 174.756 175.510 -0.346 0.000 1.194 396 N CA -0.152 52.637 53.050 -0.436 0.000 0.964 396 N CB 0.522 38.621 38.487 -0.647 0.000 1.126 396 N HN 0.099 nan 8.380 nan 0.000 0.452 397 F N 2.842 122.498 119.950 -0.490 0.000 2.411 397 F HA 0.448 4.973 4.527 -0.003 0.000 0.352 397 F C -1.290 174.274 175.800 -0.392 0.000 1.123 397 F CA -0.764 57.036 58.000 -0.334 0.000 1.044 397 F CB 0.399 39.230 39.000 -0.282 0.000 1.135 397 F HN 0.301 nan 8.300 nan 0.000 0.461 398 F N 4.346 123.912 119.950 -0.639 0.000 2.444 398 F HA 0.331 4.856 4.527 -0.003 0.000 0.342 398 F C -0.576 174.926 175.800 -0.497 0.000 1.121 398 F CA -0.754 57.017 58.000 -0.381 0.000 0.997 398 F CB 1.638 40.453 39.000 -0.308 0.000 1.130 398 F HN 0.390 nan 8.300 nan 0.000 0.454 399 D N 2.039 122.463 120.400 0.041 0.000 2.330 399 D HA 0.269 4.907 4.640 -0.003 0.000 0.249 399 D C -0.955 175.484 176.300 0.232 0.000 1.306 399 D CA -0.215 53.841 54.000 0.093 0.000 0.956 399 D CB 0.849 41.768 40.800 0.199 0.000 1.261 399 D HN 0.515 nan 8.370 nan 0.000 0.544 400 T N -1.092 113.588 114.554 0.210 0.000 2.912 400 T HA 0.572 4.920 4.350 -0.003 0.000 0.288 400 T C 1.444 176.250 174.700 0.176 0.000 1.030 400 T CA -0.587 61.623 62.100 0.182 0.000 1.020 400 T CB 1.810 70.734 68.868 0.095 0.000 1.056 400 T HN 0.136 nan 8.240 nan 0.000 0.480 401 G N -0.042 108.791 108.800 0.056 0.000 2.471 401 G HA2 0.057 4.015 3.960 -0.003 0.000 0.219 401 G HA3 0.057 4.015 3.960 -0.003 0.000 0.219 401 G C 0.418 175.145 174.900 -0.288 0.000 1.125 401 G CA 0.557 45.605 45.100 -0.087 0.000 0.775 401 G HN 0.838 nan 8.290 nan 0.000 0.548 402 D N -1.209 118.956 120.400 -0.391 0.000 3.603 402 D HA 0.093 4.731 4.640 -0.003 0.000 0.280 402 D C -1.111 174.912 176.300 -0.463 0.000 1.435 402 D CA -0.600 52.877 54.000 -0.871 0.000 1.005 402 D CB 0.326 40.827 40.800 -0.497 0.000 1.321 402 D HN -0.156 nan 8.370 nan 0.000 0.639 403 D N 0.586 120.804 120.400 -0.304 0.000 2.455 403 D HA 0.068 4.706 4.640 -0.003 0.000 0.241 403 D C 1.298 177.474 176.300 -0.206 0.000 1.138 403 D CA -0.023 53.870 54.000 -0.177 0.000 0.877 403 D CB 1.121 41.818 40.800 -0.171 0.000 1.187 403 D HN 0.307 nan 8.370 nan 0.000 0.451 404 C N 2.082 121.248 119.300 -0.222 0.000 2.548 404 C HA -0.011 4.447 4.460 -0.003 0.000 0.284 404 C C 1.348 176.048 174.990 -0.484 0.000 1.252 404 C CA 0.080 58.877 59.018 -0.369 0.000 1.725 404 C CB -0.438 27.042 27.740 -0.433 0.000 2.098 404 C HN 0.522 nan 8.230 nan 0.000 0.471 405 I N 1.804 122.120 120.570 -0.424 0.000 2.382 405 I HA 0.279 4.447 4.170 -0.003 0.000 0.286 405 I C -0.412 175.489 176.117 -0.359 0.000 1.002 405 I CA 0.171 61.259 61.300 -0.353 0.000 1.135 405 I CB 0.530 38.419 38.000 -0.184 0.000 1.288 405 I HN 0.408 nan 8.210 nan 0.000 0.448 406 N N 6.370 124.803 118.700 -0.445 0.000 2.362 406 N HA 0.478 5.216 4.740 -0.003 0.000 0.298 406 N C -1.666 173.547 175.510 -0.494 0.000 1.048 406 N CA -0.390 52.447 53.050 -0.355 0.000 0.858 406 N CB 1.591 39.907 38.487 -0.285 0.000 1.218 406 N HN 0.227 nan 8.380 nan 0.000 0.488 407 F N 1.368 121.355 119.950 0.062 0.000 2.458 407 F HA 0.665 5.190 4.527 -0.004 0.000 0.336 407 F C 0.593 176.451 175.800 0.096 0.000 1.114 407 F CA -0.545 57.531 58.000 0.126 0.000 0.987 407 F CB 1.896 40.975 39.000 0.131 0.000 1.130 407 F HN 0.429 nan 8.300 nan 0.000 0.458 408 A N 1.653 124.652 122.820 0.298 0.000 2.515 408 A HA 0.915 5.233 4.320 -0.003 0.000 0.296 408 A C -0.702 177.070 177.584 0.312 0.000 1.094 408 A CA -0.323 51.875 52.037 0.268 0.000 0.718 408 A CB 1.637 20.768 19.000 0.219 0.000 1.307 408 A HN 1.125 nan 8.150 nan 0.000 0.408 409 A N 0.502 123.498 122.820 0.292 0.000 2.816 409 A HA 0.631 4.949 4.320 -0.003 0.000 0.208 409 A C 0.848 178.449 177.584 0.028 0.000 0.896 409 A CA 0.933 53.088 52.037 0.196 0.000 1.183 409 A CB -0.537 18.561 19.000 0.164 0.000 1.249 409 A HN 2.888 nan 8.150 nan 0.000 0.484 410 G N -0.177 108.551 108.800 -0.120 0.000 2.828 410 G HA2 0.346 4.304 3.960 -0.003 0.000 0.463 410 G HA3 0.346 4.304 3.960 -0.003 0.000 0.463 410 G C -0.176 174.427 174.900 -0.495 0.000 1.394 410 G CA 0.151 44.775 45.100 -0.793 0.000 0.862 410 G HN 2.183 nan 8.290 nan 0.000 0.540 411 T N -2.098 112.096 114.554 -0.600 0.000 2.971 411 T HA 0.895 5.243 4.350 -0.003 0.000 0.304 411 T C 0.858 175.079 174.700 -0.797 0.000 1.038 411 T CA 0.824 62.509 62.100 -0.692 0.000 1.007 411 T CB 1.498 69.705 68.868 -1.102 0.000 1.055 411 T HN 3.004 nan 8.240 nan 0.000 0.451 412 G N 2.328 110.852 108.800 -0.460 0.000 2.660 412 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.215 412 G HA3 -0.137 3.821 3.960 -0.003 0.000 0.215 412 G C 0.363 175.117 174.900 -0.243 0.000 1.345 412 G CA 0.441 45.393 45.100 -0.246 0.000 0.877 412 G HN 0.920 nan 8.290 nan 0.000 0.549 413 E N 0.101 120.205 120.200 -0.160 0.000 2.153 413 E HA -0.041 4.307 4.350 -0.003 0.000 0.194 413 E C 2.385 178.883 176.600 -0.171 0.000 0.988 413 E CA 2.000 58.321 56.400 -0.132 0.000 0.811 413 E CB -0.139 29.513 29.700 -0.080 0.000 0.746 413 E HN 0.523 nan 8.360 nan 0.000 0.466 414 K N -0.566 119.654 120.400 -0.300 0.000 2.432 414 K HA 0.087 4.405 4.320 -0.003 0.000 0.196 414 K C 1.724 178.194 176.600 -0.217 0.000 1.038 414 K CA 0.622 56.732 56.287 -0.294 0.000 0.986 414 K CB 0.162 32.364 32.500 -0.497 0.000 0.782 414 K HN 0.106 nan 8.250 nan 0.000 0.485 415 A N 1.289 123.951 122.820 -0.265 0.000 2.119 415 A HA -0.132 4.186 4.320 -0.003 0.000 0.217 415 A C 1.885 179.442 177.584 -0.046 0.000 1.153 415 A CA 0.726 52.684 52.037 -0.132 0.000 0.692 415 A CB -0.201 18.674 19.000 -0.208 0.000 0.799 415 A HN 0.286 nan 8.150 nan 0.000 0.458 416 Q N -0.358 119.414 119.800 -0.047 0.000 2.248 416 Q HA -0.202 4.136 4.340 -0.003 0.000 0.208 416 Q C 0.952 176.977 176.000 0.041 0.000 0.984 416 Q CA 1.421 57.231 55.803 0.012 0.000 0.875 416 Q CB -0.037 28.704 28.738 0.004 0.000 0.910 416 Q HN 0.618 nan 8.270 nan 0.000 0.433 417 E N -0.042 120.182 120.200 0.039 0.000 2.474 417 E HA 0.057 4.405 4.350 -0.003 0.000 0.194 417 E C 0.041 176.692 176.600 0.086 0.000 1.041 417 E CA 0.286 56.724 56.400 0.064 0.000 0.874 417 E CB 0.193 29.933 29.700 0.067 0.000 0.914 417 E HN 0.425 nan 8.360 nan 0.000 0.498 418 Q N 0.649 120.503 119.800 0.089 0.000 2.221 418 Q HA 0.233 4.571 4.340 -0.003 0.000 0.242 418 Q C -0.177 175.893 176.000 0.116 0.000 0.940 418 Q CA -0.374 55.494 55.803 0.109 0.000 0.896 418 Q CB 1.290 30.089 28.738 0.102 0.000 1.226 418 Q HN -0.146 nan 8.270 nan 0.000 0.463 419 E N 2.167 122.448 120.200 0.134 0.000 2.398 419 E HA 0.112 4.460 4.350 -0.003 0.000 0.263 419 E C -2.264 174.430 176.600 0.157 0.000 1.046 419 E CA -1.340 55.146 56.400 0.143 0.000 0.908 419 E CB 0.204 30.003 29.700 0.165 0.000 0.963 419 E HN 0.418 nan 8.360 nan 0.000 0.431 420 P HA 0.085 nan 4.420 nan 0.000 0.272 420 P C -0.372 177.033 177.300 0.174 0.000 1.223 420 P CA -0.435 62.774 63.100 0.181 0.000 0.784 420 P CB 0.463 32.264 31.700 0.169 0.000 0.923 421 M N 3.216 122.932 119.600 0.192 0.000 2.455 421 M HA 0.156 4.634 4.480 -0.003 0.000 0.331 421 M C -0.113 176.259 176.300 0.120 0.000 1.481 421 M CA 0.530 55.950 55.300 0.200 0.000 1.362 421 M CB -0.967 31.793 32.600 0.266 0.000 1.564 421 M HN 0.148 nan 8.290 nan 0.000 0.458 422 K N 3.894 124.346 120.400 0.088 0.000 2.545 422 K HA 0.636 4.954 4.320 -0.003 0.000 0.252 422 K C -0.812 175.781 176.600 -0.012 0.000 0.948 422 K CA -0.127 56.171 56.287 0.018 0.000 0.827 422 K CB 0.994 33.506 32.500 0.020 0.000 1.128 422 K HN 0.892 nan 8.250 nan 0.000 0.429 423 G N 2.384 111.146 108.800 -0.063 0.000 2.860 423 G HA2 0.149 4.107 3.960 -0.003 0.000 0.547 423 G HA3 0.149 4.107 3.960 -0.003 0.000 0.547 423 G C -0.977 173.900 174.900 -0.039 0.000 1.103 423 G CA -0.325 44.739 45.100 -0.060 0.000 1.126 423 G HN 0.756 nan 8.290 nan 0.000 0.490 424 A N 1.983 124.769 122.820 -0.057 0.000 2.449 424 A HA 0.857 5.175 4.320 -0.003 0.000 0.302 424 A C -1.078 176.619 177.584 0.188 0.000 1.048 424 A CA -0.647 51.409 52.037 0.033 0.000 0.708 424 A CB 1.779 20.779 19.000 -0.000 0.000 1.274 424 A HN 1.738 nan 8.150 nan 0.000 0.410 425 W N 3.997 125.338 121.300 0.068 0.000 2.687 425 W HA 0.621 5.279 4.660 -0.004 0.000 0.328 425 W C -2.358 174.354 176.519 0.321 0.000 1.012 425 W CA -1.407 56.032 57.345 0.157 0.000 1.262 425 W CB 1.486 31.029 29.460 0.139 0.000 1.331 425 W HN 0.382 nan 8.180 nan 0.000 0.433 426 L N 9.117 130.620 121.223 0.466 0.000 2.342 426 L HA 0.564 4.902 4.340 -0.003 0.000 0.276 426 L C -0.619 176.415 176.870 0.273 0.000 0.997 426 L CA -0.992 54.019 54.840 0.285 0.000 0.838 426 L CB -0.452 41.808 42.059 0.335 0.000 1.224 426 L HN 0.360 nan 8.230 nan 0.000 0.416 427 F N 1.004 120.923 119.950 -0.052 0.000 2.654 427 F HA 0.574 5.099 4.527 -0.003 0.000 0.308 427 F C 0.470 176.249 175.800 -0.035 0.000 1.108 427 F CA -1.003 56.947 58.000 -0.084 0.000 0.957 427 F CB 1.371 40.204 39.000 -0.278 0.000 1.309 427 F HN 0.331 nan 8.300 nan 0.000 0.446 428 N N 0.755 119.510 118.700 0.091 0.000 2.747 428 N HA -0.212 4.526 4.740 -0.003 0.000 0.249 428 N C -1.232 174.272 175.510 -0.010 0.000 1.107 428 N CA 0.775 53.858 53.050 0.055 0.000 0.707 428 N CB -1.412 37.109 38.487 0.058 0.000 1.054 428 N HN 0.747 nan 8.380 nan 0.000 0.555 429 N N 0.126 118.813 118.700 -0.022 0.000 2.492 429 N HA 0.275 5.013 4.740 -0.003 0.000 0.289 429 N C -0.563 174.894 175.510 -0.088 0.000 1.133 429 N CA -0.242 52.723 53.050 -0.142 0.000 0.961 429 N CB 1.042 39.301 38.487 -0.380 0.000 1.186 429 N HN 0.173 nan 8.380 nan 0.000 0.493 430 Y N 1.179 121.311 120.300 -0.280 0.000 2.334 430 Y HA 0.417 4.965 4.550 -0.003 0.000 0.336 430 Y C -1.240 174.436 175.900 -0.373 0.000 0.960 430 Y CA -0.864 57.115 58.100 -0.201 0.000 1.164 430 Y CB 0.378 38.800 38.460 -0.065 0.000 1.155 430 Y HN 0.334 nan 8.280 nan 0.000 0.478 431 F N 6.702 126.421 119.950 -0.386 0.000 2.404 431 F HA 0.527 5.052 4.527 -0.003 0.000 0.354 431 F C 0.744 176.210 175.800 -0.557 0.000 1.122 431 F CA -0.456 57.341 58.000 -0.339 0.000 1.080 431 F CB 1.344 40.183 39.000 -0.269 0.000 1.131 431 F HN 0.560 nan 8.300 nan 0.000 0.471 432 R N 2.270 122.568 120.500 -0.336 0.000 1.799 432 R HA 0.501 4.839 4.340 -0.003 0.000 0.119 432 R C -0.067 176.146 176.300 -0.146 0.000 1.882 432 R CA -0.428 55.516 56.100 -0.259 0.000 1.770 432 R CB 0.393 30.569 30.300 -0.207 0.000 1.326 432 R HN 0.531 nan 8.270 nan 0.000 0.521 433 M N 0.843 120.365 119.600 -0.130 0.000 2.180 433 M HA 0.323 4.801 4.480 -0.003 0.000 0.358 433 M C -0.212 176.112 176.300 0.039 0.000 1.233 433 M CA -0.018 55.219 55.300 -0.104 0.000 1.114 433 M CB 1.780 34.195 32.600 -0.308 0.000 1.594 433 M HN 0.741 nan 8.290 nan 0.000 0.467 434 G N 0.839 109.693 108.800 0.091 0.000 2.356 434 G HA2 0.181 4.139 3.960 -0.003 0.000 0.294 434 G HA3 0.181 4.139 3.960 -0.003 0.000 0.294 434 G C -0.529 174.489 174.900 0.197 0.000 1.423 434 G CA -0.767 44.418 45.100 0.142 0.000 0.806 434 G HN 0.867 nan 8.290 nan 0.000 0.527 435 H N -0.516 118.533 119.070 -0.035 0.000 2.548 435 H HA 0.337 4.891 4.556 -0.004 0.000 0.268 435 H C 1.231 176.506 175.328 -0.089 0.000 0.975 435 H CA 0.576 56.595 56.048 -0.049 0.000 1.195 435 H CB 0.732 30.470 29.762 -0.040 0.000 1.397 435 H HN 0.830 nan 8.280 nan 0.000 0.572 436 G N -0.829 107.964 108.800 -0.013 0.000 2.299 436 G HA2 0.306 4.264 3.960 -0.003 0.000 0.312 436 G HA3 0.306 4.264 3.960 -0.003 0.000 0.312 436 G C 0.200 174.973 174.900 -0.211 0.000 1.654 436 G CA -0.142 44.891 45.100 -0.113 0.000 0.912 436 G HN 0.146 nan 8.290 nan 0.000 0.667 437 A N 2.113 124.725 122.820 -0.347 0.000 1.873 437 A HA 0.363 4.681 4.320 -0.003 0.000 0.215 437 A C 1.031 178.269 177.584 -0.577 0.000 1.186 437 A CA 1.179 52.775 52.037 -0.736 0.000 0.616 437 A CB -0.089 18.171 19.000 -1.234 0.000 0.823 437 A HN 0.728 nan 8.150 nan 0.000 0.442 438 I N 0.705 121.097 120.570 -0.297 0.000 2.439 438 I HA 0.414 4.582 4.170 -0.003 0.000 0.285 438 I C -1.291 174.831 176.117 0.008 0.000 1.021 438 I CA -0.470 60.808 61.300 -0.037 0.000 1.091 438 I CB 1.312 39.382 38.000 0.117 0.000 1.242 438 I HN -0.099 nan 8.210 nan 0.000 0.439 439 V N 4.943 124.913 119.914 0.093 0.000 2.483 439 V HA 0.514 4.632 4.120 -0.003 0.000 0.297 439 V C 0.115 176.340 176.094 0.220 0.000 1.027 439 V CA -0.511 61.830 62.300 0.067 0.000 0.855 439 V CB 2.093 33.902 31.823 -0.023 0.000 0.995 439 V HN 0.850 nan 8.190 nan 0.000 0.424 440 T N 0.615 115.266 114.554 0.162 0.000 2.934 440 T HA 0.633 4.981 4.350 -0.003 0.000 0.328 440 T C 0.607 175.410 174.700 0.172 0.000 1.068 440 T CA 0.234 62.460 62.100 0.211 0.000 1.018 440 T CB 1.278 70.235 68.868 0.148 0.000 1.009 440 T HN 0.787 nan 8.240 nan 0.000 0.471 441 G N 1.043 109.954 108.800 0.184 0.000 2.659 441 G HA2 0.387 4.345 3.960 -0.003 0.000 0.197 441 G HA3 0.387 4.345 3.960 -0.003 0.000 0.197 441 G C 0.647 175.577 174.900 0.050 0.000 1.099 441 G CA 0.747 45.929 45.100 0.137 0.000 0.759 441 G HN 1.332 nan 8.290 nan 0.000 0.715 442 S N -0.186 115.575 115.700 0.101 0.000 2.858 442 S HA -0.264 4.204 4.470 -0.003 0.000 0.251 442 S C 0.376 175.124 174.600 0.246 0.000 1.305 442 S CA 1.096 59.376 58.200 0.133 0.000 2.860 442 S CB -2.036 61.235 63.200 0.118 0.000 0.782 442 S HN 0.677 nan 8.310 nan 0.000 0.478 443 H N 2.579 121.721 119.070 0.119 0.000 3.232 443 H HA 0.361 4.915 4.556 -0.004 0.000 0.254 443 H C 1.178 176.540 175.328 0.057 0.000 1.213 443 H CA 0.443 56.542 56.048 0.085 0.000 1.503 443 H CB 0.342 30.201 29.762 0.161 0.000 1.563 443 H HN 0.587 nan 8.280 nan 0.000 0.490 444 T N -0.811 113.800 114.554 0.094 0.000 3.084 444 T HA 0.124 4.472 4.350 -0.003 0.000 0.270 444 T C 2.030 176.622 174.700 -0.180 0.000 1.008 444 T CA 0.060 62.157 62.100 -0.005 0.000 0.900 444 T CB 0.503 69.358 68.868 -0.023 0.000 1.084 444 T HN 0.574 nan 8.240 nan 0.000 0.538 445 G N 2.463 111.162 108.800 -0.168 0.000 2.586 445 G HA2 0.111 4.069 3.960 -0.003 0.000 0.218 445 G HA3 0.111 4.069 3.960 -0.003 0.000 0.218 445 G C 0.850 175.609 174.900 -0.235 0.000 1.216 445 G CA 0.588 45.542 45.100 -0.243 0.000 0.786 445 G HN 0.911 nan 8.290 nan 0.000 0.583 446 A N -1.206 121.548 122.820 -0.111 0.000 2.272 446 A HA 0.563 4.881 4.320 -0.003 0.000 0.275 446 A C -0.428 177.177 177.584 0.035 0.000 1.096 446 A CA -0.631 51.416 52.037 0.016 0.000 0.822 446 A CB 0.383 19.432 19.000 0.081 0.000 1.088 446 A HN 0.333 nan 8.150 nan 0.000 0.495 447 W N -0.622 120.705 121.300 0.045 0.000 2.141 447 W HA 0.543 5.201 4.660 -0.002 0.000 0.354 447 W C -0.012 176.548 176.519 0.068 0.000 1.297 447 W CA 0.054 57.431 57.345 0.052 0.000 1.380 447 W CB 0.463 29.942 29.460 0.032 0.000 1.168 447 W HN 0.342 nan 8.180 nan 0.000 0.639 448 I N 2.253 123.025 120.570 0.336 0.000 2.389 448 I HA 0.283 4.451 4.170 -0.003 0.000 0.288 448 I C -0.187 176.016 176.117 0.143 0.000 0.999 448 I CA -0.647 60.776 61.300 0.206 0.000 1.129 448 I CB 0.948 39.053 38.000 0.175 0.000 1.288 448 I HN 0.426 nan 8.210 nan 0.000 0.444 449 E N 4.794 125.005 120.200 0.017 0.000 2.430 449 E HA 0.297 4.645 4.350 -0.003 0.000 0.279 449 E C -1.566 174.949 176.600 -0.141 0.000 1.003 449 E CA -0.858 55.502 56.400 -0.066 0.000 0.801 449 E CB 1.699 31.372 29.700 -0.044 0.000 1.313 449 E HN 0.469 nan 8.360 nan 0.000 0.459 450 D N 0.897 121.195 120.400 -0.170 0.000 2.956 450 D HA -0.111 4.527 4.640 -0.003 0.000 0.240 450 D C -0.642 175.538 176.300 -0.199 0.000 1.141 450 D CA 0.811 54.709 54.000 -0.170 0.000 0.820 450 D CB -0.953 39.768 40.800 -0.131 0.000 0.988 450 D HN 0.342 nan 8.370 nan 0.000 0.417 451 I N 1.096 121.516 120.570 -0.250 0.000 2.389 451 I HA 0.389 4.557 4.170 -0.003 0.000 0.288 451 I C 0.284 176.307 176.117 -0.157 0.000 0.999 451 I CA -0.946 60.191 61.300 -0.271 0.000 1.129 451 I CB 1.421 39.149 38.000 -0.454 0.000 1.288 451 I HN 0.075 nan 8.210 nan 0.000 0.444 452 L N 6.726 127.924 121.223 -0.041 0.000 2.343 452 L HA 0.818 5.156 4.340 -0.003 0.000 0.278 452 L C -0.410 176.566 176.870 0.177 0.000 0.996 452 L CA -0.307 54.550 54.840 0.028 0.000 0.831 452 L CB 1.424 43.461 42.059 -0.037 0.000 1.232 452 L HN 0.665 nan 8.230 nan 0.000 0.413 453 A N 5.386 128.264 122.820 0.096 0.000 2.285 453 A HA 0.736 5.054 4.320 -0.003 0.000 0.310 453 A C -0.696 176.844 177.584 -0.074 0.000 1.266 453 A CA -0.385 51.697 52.037 0.075 0.000 0.832 453 A CB 0.378 19.406 19.000 0.046 0.000 1.163 453 A HN 0.767 nan 8.150 nan 0.000 0.499 454 E N 1.380 121.617 120.200 0.061 0.000 2.356 454 E HA 0.525 4.873 4.350 -0.003 0.000 0.275 454 E C -0.555 176.098 176.600 0.088 0.000 0.904 454 E CA -1.172 55.236 56.400 0.012 0.000 0.757 454 E CB 0.831 30.580 29.700 0.082 0.000 1.232 454 E HN 0.493 nan 8.360 nan 0.000 0.442 455 N N 1.131 119.861 118.700 0.050 0.000 2.738 455 N HA -0.147 4.591 4.740 -0.003 0.000 0.249 455 N C -1.290 174.303 175.510 0.138 0.000 1.047 455 N CA 0.750 53.881 53.050 0.135 0.000 0.707 455 N CB -0.931 37.664 38.487 0.179 0.000 0.937 455 N HN 0.550 nan 8.380 nan 0.000 0.545 456 N N -0.472 118.278 118.700 0.083 0.000 2.453 456 N HA 0.694 5.432 4.740 -0.003 0.000 0.290 456 N C -0.755 174.781 175.510 0.044 0.000 1.250 456 N CA -0.474 52.652 53.050 0.126 0.000 0.815 456 N CB 2.104 40.748 38.487 0.262 0.000 1.381 456 N HN -0.121 nan 8.380 nan 0.000 0.510 457 V N 1.316 121.242 119.914 0.020 0.000 2.789 457 V HA 0.502 4.620 4.120 -0.003 0.000 0.311 457 V C -1.012 174.957 176.094 -0.209 0.000 1.073 457 V CA -0.586 61.550 62.300 -0.272 0.000 0.921 457 V CB 1.792 33.333 31.823 -0.470 0.000 1.009 457 V HN 0.558 nan 8.190 nan 0.000 0.426 458 M N 5.299 124.755 119.600 -0.240 0.000 2.259 458 M HA 0.543 5.021 4.480 -0.003 0.000 0.304 458 M C -1.280 175.053 176.300 0.055 0.000 1.019 458 M CA -0.407 54.830 55.300 -0.106 0.000 0.922 458 M CB 1.708 34.295 32.600 -0.020 0.000 1.600 458 M HN 0.610 nan 8.290 nan 0.000 0.433 459 Y N 3.780 123.971 120.300 -0.181 0.000 2.354 459 Y HA 0.649 5.197 4.550 -0.003 0.000 0.330 459 Y C 0.123 176.009 175.900 -0.023 0.000 1.011 459 Y CA -1.068 57.049 58.100 0.029 0.000 1.099 459 Y CB 1.011 39.588 38.460 0.195 0.000 1.179 459 Y HN 0.706 nan 8.280 nan 0.000 0.442 460 L N 2.715 123.695 121.223 -0.405 0.000 5.060 460 L HA -0.274 4.064 4.340 -0.003 0.000 0.408 460 L C 0.355 177.101 176.870 -0.206 0.000 0.917 460 L CA 0.951 55.544 54.840 -0.411 0.000 1.627 460 L CB -1.959 39.754 42.059 -0.577 0.000 1.732 460 L HN 0.708 nan 8.230 nan 0.000 0.611 461 T N -0.369 114.102 114.554 -0.138 0.000 2.932 461 T HA 0.064 4.412 4.350 -0.003 0.000 0.312 461 T C 0.991 175.643 174.700 -0.079 0.000 1.071 461 T CA -0.003 62.043 62.100 -0.090 0.000 1.128 461 T CB 1.097 69.912 68.868 -0.088 0.000 0.984 461 T HN 0.083 nan 8.240 nan 0.000 0.549 462 D N 0.741 121.106 120.400 -0.059 0.000 2.087 462 D HA 0.023 4.661 4.640 -0.003 0.000 0.192 462 D C 0.623 176.874 176.300 -0.082 0.000 0.993 462 D CA 1.385 55.343 54.000 -0.070 0.000 0.828 462 D CB -0.024 40.729 40.800 -0.077 0.000 0.968 462 D HN 0.536 nan 8.370 nan 0.000 0.448 463 I N -1.524 118.987 120.570 -0.097 0.000 2.769 463 I HA 0.350 4.518 4.170 -0.003 0.000 0.298 463 I C 1.265 177.282 176.117 -0.166 0.000 1.128 463 I CA -0.784 60.442 61.300 -0.124 0.000 1.031 463 I CB 2.600 40.525 38.000 -0.126 0.000 1.235 463 I HN -0.103 nan 8.210 nan 0.000 0.423 464 G N 3.692 112.373 108.800 -0.198 0.000 2.417 464 G HA2 0.097 4.055 3.960 -0.003 0.000 0.212 464 G HA3 0.097 4.055 3.960 -0.003 0.000 0.212 464 G C 0.012 174.630 174.900 -0.470 0.000 1.187 464 G CA 0.614 45.568 45.100 -0.244 0.000 0.804 464 G HN 0.330 nan 8.290 nan 0.000 0.534 465 L N 0.337 121.195 121.223 -0.609 0.000 2.372 465 L HA 0.753 5.091 4.340 -0.003 0.000 0.273 465 L C -0.914 175.780 176.870 -0.293 0.000 0.989 465 L CA -1.191 53.319 54.840 -0.550 0.000 0.841 465 L CB 1.943 43.488 42.059 -0.857 0.000 1.225 465 L HN 0.052 nan 8.230 nan 0.000 0.414 466 R N 4.513 124.898 120.500 -0.192 0.000 2.337 466 R HA 0.866 5.204 4.340 -0.003 0.000 0.319 466 R C -1.474 174.739 176.300 -0.146 0.000 0.954 466 R CA -0.119 55.889 56.100 -0.154 0.000 0.840 466 R CB 1.399 31.632 30.300 -0.112 0.000 1.164 466 R HN 0.694 nan 8.270 nan 0.000 0.472 467 A N 5.215 127.872 122.820 -0.273 0.000 2.318 467 A HA 0.699 5.017 4.320 -0.003 0.000 0.324 467 A C -1.082 176.279 177.584 -0.372 0.000 1.170 467 A CA -0.764 50.997 52.037 -0.460 0.000 0.810 467 A CB 0.680 19.037 19.000 -1.072 0.000 1.198 467 A HN 0.782 nan 8.150 nan 0.000 0.484 468 K N 0.717 121.107 120.400 -0.016 0.000 2.498 468 K HA 0.815 5.133 4.320 -0.003 0.000 0.254 468 K C -0.771 176.058 176.600 0.382 0.000 0.933 468 K CA -0.525 55.885 56.287 0.205 0.000 0.806 468 K CB 2.035 34.589 32.500 0.090 0.000 1.301 468 K HN 0.546 nan 8.250 nan 0.000 0.432 469 S N 0.389 116.288 115.700 0.333 0.000 2.843 469 S HA 0.647 5.115 4.470 -0.003 0.000 0.301 469 S C -1.525 173.129 174.600 0.089 0.000 1.206 469 S CA -0.140 58.159 58.200 0.165 0.000 0.875 469 S CB 1.601 64.815 63.200 0.024 0.000 1.248 469 S HN 0.946 nan 8.310 nan 0.000 0.555 470 T N -1.101 113.478 114.554 0.042 0.000 2.883 470 T HA 0.571 4.919 4.350 -0.003 0.000 0.296 470 T C 0.865 175.558 174.700 -0.012 0.000 1.117 470 T CA -0.033 62.087 62.100 0.033 0.000 1.006 470 T CB 1.139 70.058 68.868 0.085 0.000 1.191 470 T HN 0.354 nan 8.240 nan 0.000 0.508 471 S N 0.776 116.473 115.700 -0.006 0.000 2.374 471 S HA -0.132 4.336 4.470 -0.003 0.000 0.227 471 S C 2.119 176.704 174.600 -0.025 0.000 1.037 471 S CA 2.235 60.417 58.200 -0.030 0.000 1.024 471 S CB -0.782 62.418 63.200 -0.001 0.000 0.861 471 S HN 1.007 nan 8.310 nan 0.000 0.456 472 T N -0.209 114.357 114.554 0.019 0.000 3.081 472 T HA 0.272 4.620 4.350 -0.003 0.000 0.255 472 T C 1.601 176.344 174.700 0.073 0.000 1.113 472 T CA 0.118 62.240 62.100 0.038 0.000 1.082 472 T CB -0.392 68.506 68.868 0.050 0.000 0.939 472 T HN 0.315 nan 8.240 nan 0.000 0.506 473 I N 1.660 122.265 120.570 0.057 0.000 2.286 473 I HA 0.109 4.277 4.170 -0.003 0.000 0.248 473 I C 1.918 177.961 176.117 -0.123 0.000 1.115 473 I CA 0.995 62.293 61.300 -0.003 0.000 1.392 473 I CB -1.247 36.766 38.000 0.022 0.000 1.065 473 I HN 0.632 nan 8.210 nan 0.000 0.418 474 G N 0.054 108.762 108.800 -0.153 0.000 2.750 474 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.228 474 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.228 474 G C 0.548 175.195 174.900 -0.421 0.000 1.367 474 G CA -0.370 44.585 45.100 -0.241 0.000 0.871 474 G HN 0.903 nan 8.290 nan 0.000 0.560 475 G N -1.195 107.244 108.800 -0.602 0.000 2.634 475 G HA2 0.398 4.356 3.960 -0.003 0.000 0.318 475 G HA3 0.398 4.356 3.960 -0.003 0.000 0.318 475 G C 1.371 175.255 174.900 -1.692 0.000 1.207 475 G CA 2.150 46.437 45.100 -1.355 0.000 0.987 475 G HN 3.320 nan 8.290 nan 0.000 0.547 476 G N -1.956 106.109 108.800 -1.226 0.000 2.278 476 G HA2 0.607 4.565 3.960 -0.003 0.000 0.265 476 G HA3 0.607 4.565 3.960 -0.003 0.000 0.265 476 G C -0.497 174.428 174.900 0.041 0.000 1.329 476 G CA 1.011 45.725 45.100 -0.643 0.000 1.017 476 G HN 2.647 nan 8.290 nan 0.000 0.472 477 A N -0.237 122.920 122.820 0.561 0.000 2.414 477 A HA 1.009 5.327 4.320 -0.003 0.000 0.306 477 A C -0.053 177.910 177.584 0.632 0.000 1.054 477 A CA 0.191 52.626 52.037 0.662 0.000 0.724 477 A CB 1.442 20.831 19.000 0.648 0.000 1.267 477 A HN 1.615 nan 8.150 nan 0.000 0.418 478 R N 1.243 121.886 120.500 0.238 0.000 2.739 478 R HA 0.683 5.021 4.340 -0.003 0.000 0.271 478 R C -0.491 175.685 176.300 -0.207 0.000 1.010 478 R CA -0.793 55.231 56.100 -0.125 0.000 0.897 478 R CB 0.702 30.561 30.300 -0.735 0.000 1.236 478 R HN 0.668 nan 8.270 nan 0.000 0.466 479 N N -0.077 118.491 118.700 -0.220 0.000 2.708 479 N HA -0.137 4.601 4.740 -0.003 0.000 0.255 479 N C -1.715 173.621 175.510 -0.288 0.000 1.046 479 N CA 0.600 53.533 53.050 -0.196 0.000 0.715 479 N CB -0.465 37.926 38.487 -0.160 0.000 0.895 479 N HN 0.457 nan 8.380 nan 0.000 0.545 480 V N 1.278 120.901 119.914 -0.484 0.000 2.417 480 V HA 0.526 4.644 4.120 -0.003 0.000 0.291 480 V C 0.500 176.362 176.094 -0.387 0.000 1.024 480 V CA -0.395 61.540 62.300 -0.608 0.000 0.861 480 V CB 1.978 33.030 31.823 -1.285 0.000 0.985 480 V HN 0.331 nan 8.190 nan 0.000 0.436 481 T N 5.669 120.106 114.554 -0.195 0.000 2.786 481 T HA 0.500 4.848 4.350 -0.003 0.000 0.283 481 T C -0.885 173.837 174.700 0.037 0.000 0.992 481 T CA -0.125 61.940 62.100 -0.058 0.000 0.954 481 T CB 0.815 69.651 68.868 -0.054 0.000 0.934 481 T HN 0.442 nan 8.240 nan 0.000 0.440 482 F N 5.836 125.743 119.950 -0.072 0.000 2.359 482 F HA 0.539 5.064 4.527 -0.003 0.000 0.369 482 F C 0.206 175.987 175.800 -0.031 0.000 1.084 482 F CA -0.850 57.123 58.000 -0.046 0.000 1.096 482 F CB 0.418 39.391 39.000 -0.046 0.000 1.335 482 F HN 0.504 nan 8.300 nan 0.000 0.457 483 R N 3.727 124.095 120.500 -0.220 0.000 2.725 483 R HA 0.475 4.812 4.340 -0.003 0.000 0.277 483 R C -0.831 175.310 176.300 -0.265 0.000 0.987 483 R CA -0.783 55.222 56.100 -0.158 0.000 0.901 483 R CB 1.206 31.465 30.300 -0.068 0.000 1.207 483 R HN 0.514 nan 8.270 nan 0.000 0.463 484 N N 0.679 119.166 118.700 -0.354 0.000 2.738 484 N HA -0.188 4.550 4.740 -0.003 0.000 0.249 484 N C -1.591 173.685 175.510 -0.389 0.000 1.047 484 N CA 1.212 53.890 53.050 -0.620 0.000 0.707 484 N CB -1.366 36.987 38.487 -0.224 0.000 0.937 484 N HN 0.796 nan 8.380 nan 0.000 0.545 485 N N -0.281 118.216 118.700 -0.338 0.000 2.240 485 N HA 0.765 5.503 4.740 -0.003 0.000 0.302 485 N C -0.763 174.746 175.510 -0.002 0.000 1.106 485 N CA -0.621 52.324 53.050 -0.176 0.000 0.778 485 N CB 1.762 40.009 38.487 -0.399 0.000 1.431 485 N HN 0.269 nan 8.380 nan 0.000 0.479 486 A N 1.829 124.686 122.820 0.061 0.000 2.365 486 A HA 0.829 5.147 4.320 -0.003 0.000 0.318 486 A C -0.980 176.678 177.584 0.124 0.000 1.091 486 A CA -0.545 51.599 52.037 0.179 0.000 0.763 486 A CB 0.832 20.023 19.000 0.319 0.000 1.248 486 A HN 0.597 nan 8.150 nan 0.000 0.442 487 M N 1.675 121.480 119.600 0.341 0.000 2.378 487 M HA 0.560 5.038 4.480 -0.003 0.000 0.289 487 M C -0.573 175.986 176.300 0.432 0.000 1.136 487 M CA -0.417 55.081 55.300 0.330 0.000 0.917 487 M CB 2.696 35.417 32.600 0.202 0.000 1.669 487 M HN 0.822 nan 8.290 nan 0.000 0.461 488 R N 1.126 121.903 120.500 0.462 0.000 2.621 488 R HA 0.405 4.743 4.340 -0.003 0.000 0.284 488 R C -1.223 175.231 176.300 0.257 0.000 0.998 488 R CA -0.125 56.166 56.100 0.320 0.000 0.895 488 R CB 1.271 31.692 30.300 0.201 0.000 1.195 488 R HN 0.808 nan 8.270 nan 0.000 0.450 489 D N 2.410 122.885 120.400 0.125 0.000 2.800 489 D HA -0.180 4.458 4.640 -0.003 0.000 0.232 489 D C -0.477 175.801 176.300 -0.037 0.000 1.137 489 D CA 0.962 54.978 54.000 0.027 0.000 0.718 489 D CB -0.926 39.871 40.800 -0.006 0.000 1.084 489 D HN 0.451 nan 8.370 nan 0.000 0.432 490 L N -0.154 121.068 121.223 -0.001 0.000 2.540 490 L HA 0.141 4.479 4.340 -0.003 0.000 0.276 490 L C 1.943 178.782 176.870 -0.051 0.000 1.212 490 L CA 0.431 55.252 54.840 -0.031 0.000 0.893 490 L CB 0.501 42.553 42.059 -0.012 0.000 1.138 490 L HN 0.162 nan 8.230 nan 0.000 0.491 491 A N 4.006 126.784 122.820 -0.070 0.000 2.066 491 A HA -0.074 4.244 4.320 -0.003 0.000 0.218 491 A C 1.874 179.422 177.584 -0.060 0.000 1.157 491 A CA 1.225 53.222 52.037 -0.067 0.000 0.670 491 A CB -0.001 18.956 19.000 -0.071 0.000 0.804 491 A HN 0.883 nan 8.150 nan 0.000 0.453 492 K N -2.126 118.237 120.400 -0.062 0.000 2.572 492 K HA 0.297 4.615 4.320 -0.003 0.000 0.234 492 K C -0.065 176.501 176.600 -0.056 0.000 1.374 492 K CA 0.168 56.417 56.287 -0.063 0.000 0.771 492 K CB 0.431 32.884 32.500 -0.078 0.000 1.738 492 K HN 0.396 nan 8.250 nan 0.000 0.388 493 Q N -0.199 119.564 119.800 -0.062 0.000 2.511 493 Q HA 0.271 4.609 4.340 -0.003 0.000 0.289 493 Q C 0.435 176.395 176.000 -0.067 0.000 1.021 493 Q CA -0.537 55.231 55.803 -0.058 0.000 0.785 493 Q CB 2.622 31.320 28.738 -0.067 0.000 1.472 493 Q HN -0.083 nan 8.270 nan 0.000 0.411 494 V N -0.138 119.741 119.914 -0.059 0.000 2.300 494 V HA 0.113 4.231 4.120 -0.003 0.000 0.241 494 V C 0.515 176.515 176.094 -0.158 0.000 1.034 494 V CA 1.206 63.462 62.300 -0.073 0.000 1.021 494 V CB 0.079 31.886 31.823 -0.026 0.000 0.662 494 V HN 0.736 nan 8.190 nan 0.000 0.458 495 M N 0.284 119.807 119.600 -0.129 0.000 2.324 495 M HA 0.607 5.085 4.480 -0.003 0.000 0.288 495 M C -2.283 173.947 176.300 -0.117 0.000 1.097 495 M CA -0.290 54.909 55.300 -0.168 0.000 0.928 495 M CB 2.315 34.824 32.600 -0.152 0.000 1.648 495 M HN -0.034 nan 8.290 nan 0.000 0.460 496 V N 5.765 125.588 119.914 -0.151 0.000 2.588 496 V HA 0.584 4.702 4.120 -0.003 0.000 0.304 496 V C -0.764 175.194 176.094 -0.227 0.000 1.042 496 V CA -0.513 61.705 62.300 -0.138 0.000 0.877 496 V CB 1.982 33.738 31.823 -0.111 0.000 0.996 496 V HN 0.968 nan 8.190 nan 0.000 0.425 497 M N 4.804 124.260 119.600 -0.240 0.000 2.067 497 M HA 0.578 5.056 4.480 -0.003 0.000 0.286 497 M C -0.528 175.684 176.300 -0.147 0.000 0.922 497 M CA -0.310 54.732 55.300 -0.430 0.000 0.937 497 M CB 2.067 34.274 32.600 -0.654 0.000 1.550 497 M HN 0.771 nan 8.290 nan 0.000 0.433 498 T N 0.299 114.860 114.554 0.012 0.000 2.900 498 T HA 0.732 5.080 4.350 -0.003 0.000 0.295 498 T C -1.016 173.855 174.700 0.285 0.000 1.044 498 T CA -0.899 61.298 62.100 0.163 0.000 0.995 498 T CB 1.867 70.768 68.868 0.055 0.000 1.072 498 T HN 0.339 nan 8.240 nan 0.000 0.473 499 L N 3.212 124.566 121.223 0.218 0.000 2.262 499 L HA 0.487 4.825 4.340 -0.003 0.000 0.288 499 L C -0.232 176.603 176.870 -0.058 0.000 1.035 499 L CA -0.204 54.690 54.840 0.089 0.000 0.820 499 L CB 0.712 42.803 42.059 0.052 0.000 1.204 499 L HN 0.735 nan 8.230 nan 0.000 0.424 500 D N 2.079 122.445 120.400 -0.057 0.000 2.388 500 D HA 0.237 4.875 4.640 -0.003 0.000 0.254 500 D C -0.488 175.713 176.300 -0.164 0.000 1.111 500 D CA -0.125 53.779 54.000 -0.161 0.000 0.993 500 D CB 0.655 41.438 40.800 -0.028 0.000 1.118 500 D HN 0.144 nan 8.370 nan 0.000 0.502 501 Y N 0.289 120.621 120.300 0.053 0.000 2.319 501 Y HA 0.415 4.964 4.550 -0.002 0.000 0.328 501 Y C 1.023 176.953 175.900 0.051 0.000 1.133 501 Y CA -0.821 57.304 58.100 0.041 0.000 1.265 501 Y CB 0.251 38.730 38.460 0.031 0.000 1.218 501 Y HN 0.271 nan 8.280 nan 0.000 0.508 509 D N -0.574 119.857 120.400 0.051 0.000 2.692 509 D HA 0.627 5.265 4.640 -0.003 0.000 0.303 509 D C -1.621 174.674 176.300 -0.009 0.000 1.278 509 D CA 0.194 54.095 54.000 -0.164 0.000 0.852 509 D CB 1.630 42.284 40.800 -0.243 0.000 1.375 509 D HN 0.155 nan 8.370 nan 0.000 0.453 510 Y N -3.040 117.282 120.300 0.035 0.000 2.702 510 Y HA 0.611 5.160 4.550 -0.002 0.000 0.336 510 Y C -2.860 172.999 175.900 -0.068 0.000 1.203 510 Y CA -2.114 55.984 58.100 -0.003 0.000 1.072 510 Y CB -0.013 38.440 38.460 -0.012 0.000 1.327 510 Y HN 0.070 nan 8.280 nan 0.000 0.456 511 P HA 0.167 nan 4.420 nan 0.000 0.264 511 P C -2.594 174.763 177.300 0.095 0.000 1.193 511 P CA -0.616 62.504 63.100 0.033 0.000 0.763 511 P CB 0.252 31.937 31.700 -0.025 0.000 0.810 512 P HA 0.162 nan 4.420 nan 0.000 0.278 512 P C -0.683 176.625 177.300 0.013 0.000 1.238 512 P CA -0.329 62.803 63.100 0.054 0.000 0.794 512 P CB 0.793 32.490 31.700 -0.004 0.000 0.955 513 A N 3.237 126.059 122.820 0.004 0.000 2.407 513 A HA 0.191 4.509 4.320 -0.003 0.000 0.248 513 A C 1.263 178.825 177.584 -0.036 0.000 1.082 513 A CA -0.078 51.935 52.037 -0.041 0.000 0.785 513 A CB 0.137 19.091 19.000 -0.076 0.000 1.020 513 A HN 0.408 nan 8.150 nan 0.000 0.489 514 K N 1.122 121.499 120.400 -0.039 0.000 2.128 514 K HA 0.175 4.493 4.320 -0.003 0.000 0.202 514 K C 0.198 176.770 176.600 -0.045 0.000 1.050 514 K CA 1.022 57.289 56.287 -0.034 0.000 0.966 514 K CB -0.325 32.160 32.500 -0.025 0.000 0.759 514 K HN 0.694 nan 8.250 nan 0.000 0.454 515 I N 3.702 124.240 120.570 -0.053 0.000 2.315 515 I HA 0.138 4.306 4.170 -0.003 0.000 0.291 515 I C -2.249 173.806 176.117 -0.103 0.000 1.006 515 I CA -2.334 58.923 61.300 -0.071 0.000 1.265 515 I CB 1.104 39.079 38.000 -0.042 0.000 1.387 515 I HN -0.130 nan 8.210 nan 0.000 0.475 516 P HA 0.046 nan 4.420 nan 0.000 0.269 516 P C -0.443 176.738 177.300 -0.199 0.000 1.217 516 P CA -0.279 62.734 63.100 -0.145 0.000 0.783 516 P CB 0.496 32.102 31.700 -0.157 0.000 0.898 517 A N 1.627 124.307 122.820 -0.233 0.000 2.386 517 A HA 0.313 4.631 4.320 -0.003 0.000 0.248 517 A C -0.025 177.336 177.584 -0.373 0.000 1.082 517 A CA 0.216 52.036 52.037 -0.362 0.000 0.789 517 A CB -0.173 18.595 19.000 -0.387 0.000 1.025 517 A HN 0.595 nan 8.150 nan 0.000 0.490 518 Q N 0.185 119.737 119.800 -0.413 0.000 2.345 518 Q HA 0.587 4.925 4.340 -0.003 0.000 0.275 518 Q C -2.135 173.795 176.000 -0.117 0.000 1.063 518 Q CA -0.513 55.197 55.803 -0.155 0.000 0.819 518 Q CB 1.362 30.186 28.738 0.143 0.000 1.356 518 Q HN 0.597 nan 8.270 nan 0.000 0.418 519 F N 3.862 124.033 119.950 0.368 0.000 2.444 519 F HA 0.522 5.047 4.527 -0.004 0.000 0.342 519 F C -0.529 175.466 175.800 0.325 0.000 1.121 519 F CA -0.607 57.492 58.000 0.164 0.000 0.997 519 F CB 0.931 39.644 39.000 -0.478 0.000 1.130 519 F HN 0.440 nan 8.300 nan 0.000 0.454 520 Y N -0.665 119.917 120.300 0.470 0.000 2.597 520 Y HA 0.588 5.136 4.550 -0.004 0.000 0.340 520 Y C -0.467 175.679 175.900 0.409 0.000 1.097 520 Y CA -2.173 56.137 58.100 0.351 0.000 1.037 520 Y CB 1.413 40.023 38.460 0.250 0.000 1.305 520 Y HN 0.511 nan 8.280 nan 0.000 0.463 521 D N 0.919 121.572 120.400 0.421 0.000 2.760 521 D HA -0.207 4.431 4.640 -0.003 0.000 0.244 521 D C -1.921 174.546 176.300 0.278 0.000 1.123 521 D CA 0.880 55.055 54.000 0.292 0.000 0.719 521 D CB -1.256 39.677 40.800 0.221 0.000 1.045 521 D HN 0.532 nan 8.370 nan 0.000 0.426 522 F N 0.441 120.394 119.950 0.005 0.000 2.443 522 F HA 0.553 5.078 4.527 -0.003 0.000 0.335 522 F C 0.989 176.806 175.800 0.028 0.000 1.104 522 F CA -0.305 57.695 58.000 -0.000 0.000 1.013 522 F CB 2.122 41.103 39.000 -0.032 0.000 1.136 522 F HN -0.132 nan 8.300 nan 0.000 0.470 523 T N 4.979 119.626 114.554 0.155 0.000 2.812 523 T HA 0.562 4.910 4.350 -0.003 0.000 0.282 523 T C -1.450 173.341 174.700 0.152 0.000 0.990 523 T CA -0.449 61.749 62.100 0.164 0.000 0.960 523 T CB 1.269 70.214 68.868 0.129 0.000 0.948 523 T HN 0.409 nan 8.240 nan 0.000 0.438 524 L N 3.812 125.129 121.223 0.156 0.000 2.372 524 L HA 0.735 5.073 4.340 -0.003 0.000 0.273 524 L C -0.795 176.157 176.870 0.138 0.000 0.989 524 L CA -0.282 54.667 54.840 0.182 0.000 0.841 524 L CB 1.044 43.210 42.059 0.179 0.000 1.225 524 L HN 0.502 nan 8.230 nan 0.000 0.414 525 K N 3.875 124.340 120.400 0.109 0.000 2.535 525 K HA 0.497 4.815 4.320 -0.003 0.000 0.250 525 K C -0.868 175.731 176.600 -0.002 0.000 0.948 525 K CA -0.550 55.770 56.287 0.055 0.000 0.796 525 K CB 1.081 33.604 32.500 0.038 0.000 1.216 525 K HN 0.646 nan 8.250 nan 0.000 0.432 526 N N 0.919 119.618 118.700 -0.003 0.000 2.726 526 N HA -0.143 4.595 4.740 -0.003 0.000 0.253 526 N C -1.471 173.943 175.510 -0.161 0.000 1.059 526 N CA 0.682 53.699 53.050 -0.055 0.000 0.701 526 N CB -1.134 37.305 38.487 -0.080 0.000 0.899 526 N HN 0.183 nan 8.380 nan 0.000 0.548 527 V N 0.219 120.112 119.914 -0.035 0.000 2.709 527 V HA 0.696 4.814 4.120 -0.003 0.000 0.308 527 V C 0.422 176.539 176.094 0.039 0.000 1.062 527 V CA -0.460 61.847 62.300 0.011 0.000 0.901 527 V CB 2.353 34.252 31.823 0.127 0.000 1.003 527 V HN 0.459 nan 8.190 nan 0.000 0.425 528 T N 1.567 116.167 114.554 0.077 0.000 2.887 528 T HA 0.856 5.204 4.350 -0.003 0.000 0.288 528 T C -1.014 173.823 174.700 0.228 0.000 1.021 528 T CA -0.772 61.361 62.100 0.055 0.000 1.000 528 T CB 1.882 70.675 68.868 -0.125 0.000 1.034 528 T HN 0.366 nan 8.240 nan 0.000 0.467 529 V N 2.176 122.285 119.914 0.325 0.000 2.569 529 V HA 0.478 4.596 4.120 -0.003 0.000 0.301 529 V C -1.130 175.190 176.094 0.375 0.000 1.044 529 V CA -0.773 61.719 62.300 0.319 0.000 0.874 529 V CB 1.730 33.658 31.823 0.176 0.000 1.002 529 V HN 1.053 nan 8.190 nan 0.000 0.424 530 D N 4.470 125.029 120.400 0.264 0.000 2.392 530 D HA 0.438 5.076 4.640 -0.003 0.000 0.228 530 D C -0.196 176.106 176.300 0.003 0.000 1.074 530 D CA 0.066 54.061 54.000 -0.009 0.000 0.838 530 D CB 0.274 40.987 40.800 -0.145 0.000 1.067 530 D HN 0.728 nan 8.370 nan 0.000 0.511 531 N N 1.798 120.485 118.700 -0.021 0.000 3.118 531 N HA -0.171 4.567 4.740 -0.003 0.000 0.273 531 N C -1.374 174.145 175.510 0.015 0.000 1.781 531 N CA 0.117 53.161 53.050 -0.010 0.000 1.752 531 N CB -0.422 38.056 38.487 -0.014 0.000 0.755 531 N HN 0.215 nan 8.380 nan 0.000 0.493 532 S N 1.027 116.732 115.700 0.009 0.000 2.594 532 S HA 0.428 4.896 4.470 -0.003 0.000 0.322 532 S C 1.095 175.686 174.600 -0.016 0.000 1.085 532 S CA -0.064 58.136 58.200 -0.001 0.000 1.116 532 S CB 0.792 63.994 63.200 0.003 0.000 0.979 532 S HN 0.527 nan 8.310 nan 0.000 0.465 533 T N 1.923 116.463 114.554 -0.025 0.000 3.148 533 T HA 0.280 4.628 4.350 -0.003 0.000 0.253 533 T C 0.911 175.591 174.700 -0.033 0.000 1.134 533 T CA 0.083 62.166 62.100 -0.028 0.000 1.051 533 T CB -0.182 68.667 68.868 -0.032 0.000 0.959 533 T HN 0.580 nan 8.240 nan 0.000 0.525 534 G N 1.188 109.966 108.800 -0.037 0.000 2.504 534 G HA2 0.457 4.415 3.960 -0.003 0.000 0.288 534 G HA3 0.457 4.415 3.960 -0.003 0.000 0.288 534 G C 0.574 175.449 174.900 -0.042 0.000 1.182 534 G CA -0.747 44.329 45.100 -0.041 0.000 0.894 534 G HN 0.430 nan 8.290 nan 0.000 0.521 535 K N -0.772 119.602 120.400 -0.044 0.000 2.379 535 K HA 0.095 4.413 4.320 -0.003 0.000 0.194 535 K C 0.416 176.982 176.600 -0.057 0.000 1.031 535 K CA -0.023 56.235 56.287 -0.047 0.000 1.037 535 K CB 0.053 32.527 32.500 -0.043 0.000 0.824 535 K HN 0.395 nan 8.250 nan 0.000 0.516 536 N N 2.010 120.676 118.700 -0.056 0.000 2.445 536 N HA 0.195 4.933 4.740 -0.003 0.000 0.264 536 N C -2.728 172.742 175.510 -0.068 0.000 1.227 536 N CA -1.854 51.159 53.050 -0.062 0.000 0.963 536 N CB 0.679 39.133 38.487 -0.056 0.000 1.188 536 N HN -0.069 nan 8.380 nan 0.000 0.491 537 P HA -0.078 nan 4.420 nan 0.000 0.264 537 P C 0.342 177.606 177.300 -0.059 0.000 1.183 537 P CA 0.127 63.174 63.100 -0.088 0.000 0.763 537 P CB 0.579 32.224 31.700 -0.092 0.000 0.807 538 S N 3.934 119.607 115.700 -0.045 0.000 2.353 538 S HA -0.110 4.358 4.470 -0.003 0.000 0.222 538 S C 0.788 175.385 174.600 -0.006 0.000 1.035 538 S CA 1.051 59.246 58.200 -0.008 0.000 1.025 538 S CB -0.732 62.500 63.200 0.053 0.000 0.902 538 S HN 0.388 nan 8.310 nan 0.000 0.440 539 I N 1.640 122.212 120.570 0.005 0.000 2.339 539 I HA 0.439 4.607 4.170 -0.003 0.000 0.290 539 I C -0.295 175.826 176.117 0.006 0.000 0.994 539 I CA -0.279 61.038 61.300 0.027 0.000 1.191 539 I CB 1.638 39.706 38.000 0.114 0.000 1.343 539 I HN 0.342 nan 8.210 nan 0.000 0.458 540 E N 8.111 128.310 120.200 -0.001 0.000 2.216 540 E HA 0.575 4.923 4.350 -0.003 0.000 0.260 540 E C -1.492 175.120 176.600 0.019 0.000 0.880 540 E CA -0.535 55.864 56.400 -0.001 0.000 0.765 540 E CB 1.608 31.292 29.700 -0.027 0.000 1.174 540 E HN 0.540 nan 8.360 nan 0.000 0.417 541 I N 4.128 124.742 120.570 0.075 0.000 2.498 541 I HA 0.457 4.625 4.170 -0.003 0.000 0.290 541 I C -0.756 175.476 176.117 0.191 0.000 1.032 541 I CA -0.818 60.558 61.300 0.127 0.000 1.073 541 I CB 1.882 40.007 38.000 0.208 0.000 1.251 541 I HN 0.376 nan 8.210 nan 0.000 0.426 542 K N 3.689 124.248 120.400 0.265 0.000 2.542 542 K HA 0.708 5.026 4.320 -0.003 0.000 0.259 542 K C -0.338 176.488 176.600 0.377 0.000 0.932 542 K CA -0.726 55.706 56.287 0.241 0.000 0.820 542 K CB 2.790 35.363 32.500 0.122 0.000 1.345 542 K HN 0.741 nan 8.250 nan 0.000 0.432 543 G N 0.360 109.233 108.800 0.121 0.000 3.366 543 G HA2 0.372 4.330 3.960 -0.003 0.000 0.179 543 G HA3 0.372 4.330 3.960 -0.003 0.000 0.179 543 G C -1.323 173.569 174.900 -0.013 0.000 1.143 543 G CA 0.050 45.124 45.100 -0.043 0.000 0.810 543 G HN 0.520 nan 8.290 nan 0.000 0.697 544 D N -1.043 119.344 120.400 -0.021 0.000 2.634 544 D HA 0.278 4.916 4.640 -0.003 0.000 0.236 544 D C 0.940 177.289 176.300 0.080 0.000 1.323 544 D CA -0.281 53.742 54.000 0.038 0.000 0.884 544 D CB 0.668 41.492 40.800 0.039 0.000 1.496 544 D HN 0.111 nan 8.370 nan 0.000 0.525 545 T N 0.489 115.131 114.554 0.146 0.000 2.833 545 T HA -0.086 4.262 4.350 -0.003 0.000 0.269 545 T C 1.918 176.741 174.700 0.204 0.000 1.054 545 T CA 1.515 63.778 62.100 0.271 0.000 1.135 545 T CB 0.099 69.093 68.868 0.209 0.000 0.869 545 T HN 0.484 nan 8.240 nan 0.000 0.466 546 A N 1.724 124.619 122.820 0.125 0.000 2.024 546 A HA -0.095 4.223 4.320 -0.003 0.000 0.220 546 A C 2.020 179.652 177.584 0.080 0.000 1.164 546 A CA 1.510 53.605 52.037 0.096 0.000 0.643 546 A CB -0.470 18.577 19.000 0.078 0.000 0.806 546 A HN 0.426 nan 8.150 nan 0.000 0.451 547 N N -1.118 117.622 118.700 0.067 0.000 2.251 547 N HA 0.104 4.842 4.740 -0.003 0.000 0.217 547 N C -0.328 175.168 175.510 -0.023 0.000 1.124 547 N CA 0.064 53.131 53.050 0.027 0.000 0.843 547 N CB -0.265 38.240 38.487 0.029 0.000 1.024 547 N HN 0.249 nan 8.380 nan 0.000 0.501 548 K N -1.511 118.894 120.400 0.009 0.000 3.160 548 K HA -0.194 4.124 4.320 -0.003 0.000 0.280 548 K C -0.760 175.555 176.600 -0.474 0.000 1.154 548 K CA 0.928 57.130 56.287 -0.141 0.000 0.822 548 K CB -2.052 30.352 32.500 -0.159 0.000 1.239 548 K HN 0.283 nan 8.250 nan 0.000 0.489 549 A N 0.635 123.307 122.820 -0.246 0.000 2.508 549 A HA 0.579 4.897 4.320 -0.003 0.000 0.336 549 A C -0.506 176.941 177.584 -0.229 0.000 1.360 549 A CA -0.656 51.187 52.037 -0.323 0.000 0.841 549 A CB -0.258 18.625 19.000 -0.195 0.000 1.136 549 A HN 0.405 nan 8.150 nan 0.000 0.489 550 W N 1.267 122.439 121.300 -0.214 0.000 2.820 550 W HA 0.788 5.446 4.660 -0.003 0.000 0.350 550 W C -0.567 175.773 176.519 -0.298 0.000 1.116 550 W CA -0.874 56.286 57.345 -0.308 0.000 1.146 550 W CB 0.560 29.941 29.460 -0.132 0.000 1.433 550 W HN 0.470 nan 8.180 nan 0.000 0.561 551 H N 1.266 120.538 119.070 0.336 0.000 2.508 551 H HA 0.688 5.242 4.556 -0.004 0.000 0.344 551 H C -0.029 175.489 175.328 0.316 0.000 1.192 551 H CA -0.753 55.458 56.048 0.272 0.000 1.290 551 H CB 1.587 31.480 29.762 0.218 0.000 1.571 551 H HN 0.632 nan 8.280 nan 0.000 0.555 552 R N -0.306 120.433 120.500 0.398 0.000 2.752 552 R HA 0.385 4.723 4.340 -0.003 0.000 0.271 552 R C -1.104 175.320 176.300 0.206 0.000 1.026 552 R CA -0.997 55.262 56.100 0.265 0.000 0.901 552 R CB 0.981 31.423 30.300 0.237 0.000 1.243 552 R HN 0.554 nan 8.270 nan 0.000 0.463 553 L N 0.039 121.304 121.223 0.069 0.000 3.632 553 L HA -0.146 4.192 4.340 -0.003 0.000 0.510 553 L C -1.029 175.581 176.870 -0.434 0.000 1.299 553 L CA -0.052 54.727 54.840 -0.101 0.000 0.829 553 L CB -1.278 40.876 42.059 0.158 0.000 1.559 553 L HN 0.406 nan 8.230 nan 0.000 0.857 554 V N 0.825 120.480 119.914 -0.432 0.000 2.370 554 V HA 0.454 4.572 4.120 -0.003 0.000 0.283 554 V C 0.293 176.035 176.094 -0.588 0.000 1.023 554 V CA -0.429 61.641 62.300 -0.384 0.000 0.857 554 V CB 1.610 33.352 31.823 -0.135 0.000 0.985 554 V HN 0.229 nan 8.190 nan 0.000 0.443 555 H N 4.120 123.137 119.070 -0.089 0.000 2.708 555 H HA 0.573 5.127 4.556 -0.003 0.000 0.320 555 H C -0.857 174.410 175.328 -0.102 0.000 0.991 555 H CA -0.460 55.516 56.048 -0.121 0.000 1.243 555 H CB 1.856 31.598 29.762 -0.033 0.000 1.446 555 H HN 0.361 nan 8.280 nan 0.000 0.502 556 V N 3.897 123.764 119.914 -0.078 0.000 2.604 556 V HA 0.368 4.486 4.120 -0.003 0.000 0.305 556 V C 0.082 176.237 176.094 0.101 0.000 1.043 556 V CA -0.760 61.566 62.300 0.043 0.000 0.888 556 V CB 2.103 33.998 31.823 0.120 0.000 0.995 556 V HN 0.743 nan 8.190 nan 0.000 0.429 557 N N 3.365 122.136 118.700 0.118 0.000 2.600 557 N HA 0.236 4.974 4.740 -0.003 0.000 0.272 557 N C -0.767 174.797 175.510 0.089 0.000 1.095 557 N CA -0.444 52.666 53.050 0.101 0.000 0.993 557 N CB 1.663 40.192 38.487 0.070 0.000 1.603 557 N HN 0.809 nan 8.380 nan 0.000 0.526 558 N N 1.250 120.004 118.700 0.090 0.000 2.699 558 N HA -0.173 4.565 4.740 -0.003 0.000 0.257 558 N C -2.025 173.513 175.510 0.047 0.000 1.077 558 N CA 0.526 53.615 53.050 0.066 0.000 0.702 558 N CB -0.927 37.594 38.487 0.057 0.000 0.886 558 N HN 0.213 nan 8.380 nan 0.000 0.549 559 V N 1.615 121.555 119.914 0.043 0.000 2.588 559 V HA 0.505 4.623 4.120 -0.003 0.000 0.304 559 V C -0.082 175.977 176.094 -0.058 0.000 1.042 559 V CA -0.612 61.692 62.300 0.007 0.000 0.877 559 V CB 1.971 33.818 31.823 0.040 0.000 0.996 559 V HN 0.333 nan 8.190 nan 0.000 0.425 560 Q N 4.503 124.249 119.800 -0.089 0.000 2.331 560 Q HA 0.713 5.051 4.340 -0.003 0.000 0.267 560 Q C -1.198 174.831 176.000 0.049 0.000 1.006 560 Q CA -0.137 55.615 55.803 -0.085 0.000 0.818 560 Q CB 2.284 30.895 28.738 -0.212 0.000 1.276 560 Q HN 0.655 nan 8.270 nan 0.000 0.450 561 L N 2.521 123.745 121.223 0.001 0.000 2.345 561 L HA 0.526 4.864 4.340 -0.003 0.000 0.274 561 L C -0.711 176.232 176.870 0.121 0.000 0.999 561 L CA -0.799 54.062 54.840 0.035 0.000 0.849 561 L CB 1.334 43.249 42.059 -0.241 0.000 1.220 561 L HN 0.531 nan 8.230 nan 0.000 0.422 562 N N 3.106 121.893 118.700 0.146 0.000 2.400 562 N HA 0.234 4.972 4.740 -0.003 0.000 0.288 562 N C 0.171 175.662 175.510 -0.031 0.000 1.024 562 N CA -0.199 52.842 53.050 -0.016 0.000 0.894 562 N CB 0.968 39.241 38.487 -0.358 0.000 1.173 562 N HN 0.594 nan 8.380 nan 0.000 0.487 563 N N 1.887 120.580 118.700 -0.011 0.000 2.708 563 N HA -0.196 4.542 4.740 -0.003 0.000 0.255 563 N C -1.071 174.445 175.510 0.010 0.000 1.046 563 N CA 0.513 53.557 53.050 -0.011 0.000 0.715 563 N CB -0.664 37.797 38.487 -0.042 0.000 0.895 563 N HN 0.324 nan 8.380 nan 0.000 0.545 564 V N -1.690 118.250 119.914 0.044 0.000 3.126 564 V HA 0.801 4.919 4.120 -0.003 0.000 0.314 564 V C 0.828 176.937 176.094 0.024 0.000 1.138 564 V CA -0.010 62.318 62.300 0.045 0.000 1.034 564 V CB 1.538 33.413 31.823 0.086 0.000 1.075 564 V HN 0.288 nan 8.190 nan 0.000 0.442 565 T N -0.410 114.140 114.554 -0.007 0.000 2.874 565 T HA 0.657 5.005 4.350 -0.003 0.000 0.281 565 T C -2.616 172.027 174.700 -0.095 0.000 0.994 565 T CA -1.693 60.373 62.100 -0.056 0.000 1.015 565 T CB 0.935 69.759 68.868 -0.073 0.000 1.028 565 T HN 0.735 nan 8.240 nan 0.000 0.523 566 P HA 0.196 nan 4.420 nan 0.000 0.272 566 P C 0.369 177.533 177.300 -0.227 0.000 1.230 566 P CA -0.371 62.572 63.100 -0.262 0.000 0.788 566 P CB 0.090 31.676 31.700 -0.191 0.000 0.949 567 T N -1.368 113.020 114.554 -0.276 0.000 2.903 567 T HA 0.444 4.792 4.350 -0.003 0.000 0.314 567 T C -0.102 174.500 174.700 -0.165 0.000 1.078 567 T CA -0.493 61.482 62.100 -0.208 0.000 1.114 567 T CB 0.002 68.684 68.868 -0.310 0.000 0.987 567 T HN 0.437 nan 8.240 nan 0.000 0.548 568 A N 3.274 126.020 122.820 -0.122 0.000 2.457 568 A HA 0.676 4.994 4.320 -0.003 0.000 0.283 568 A C -0.428 177.137 177.584 -0.032 0.000 1.166 568 A CA -0.911 51.073 52.037 -0.088 0.000 0.740 568 A CB 0.635 19.583 19.000 -0.087 0.000 1.181 568 A HN 0.872 nan 8.150 nan 0.000 0.446 569 I N 2.762 123.314 120.570 -0.030 0.000 2.478 569 I HA 0.546 4.714 4.170 -0.003 0.000 0.287 569 I C -0.011 176.219 176.117 0.188 0.000 1.042 569 I CA -0.331 61.018 61.300 0.082 0.000 1.067 569 I CB 2.169 40.177 38.000 0.014 0.000 1.233 569 I HN 0.741 nan 8.210 nan 0.000 0.431 570 S N 3.486 119.308 115.700 0.204 0.000 2.596 570 S HA 0.449 4.917 4.470 -0.003 0.000 0.270 570 S C -0.921 173.793 174.600 0.190 0.000 1.155 570 S CA -0.733 57.583 58.200 0.193 0.000 0.827 570 S CB 2.318 65.599 63.200 0.136 0.000 1.130 570 S HN 0.722 nan 8.310 nan 0.000 0.467 571 D N 0.068 120.555 120.400 0.145 0.000 2.705 571 D HA -0.141 4.497 4.640 -0.003 0.000 0.240 571 D C -0.792 175.607 176.300 0.165 0.000 1.137 571 D CA 0.933 55.009 54.000 0.127 0.000 0.677 571 D CB -1.267 39.580 40.800 0.078 0.000 1.049 571 D HN 0.608 nan 8.370 nan 0.000 0.427 572 L N -0.025 121.297 121.223 0.165 0.000 2.431 572 L HA 0.560 4.898 4.340 -0.003 0.000 0.266 572 L C -0.690 176.227 176.870 0.078 0.000 0.978 572 L CA -0.415 54.547 54.840 0.204 0.000 0.822 572 L CB 1.782 44.023 42.059 0.303 0.000 1.310 572 L HN 0.047 nan 8.230 nan 0.000 0.409 573 R N 2.782 123.320 120.500 0.064 0.000 2.867 573 R HA 0.506 4.844 4.340 -0.003 0.000 0.268 573 R C -1.152 175.156 176.300 0.014 0.000 1.014 573 R CA -0.876 55.201 56.100 -0.037 0.000 0.946 573 R CB 1.428 31.618 30.300 -0.184 0.000 1.208 573 R HN 0.732 nan 8.270 nan 0.000 0.477 574 D N 0.642 121.031 120.400 -0.019 0.000 2.697 574 D HA -0.146 4.492 4.640 -0.003 0.000 0.235 574 D C -0.982 175.320 176.300 0.003 0.000 1.167 574 D CA 1.168 55.169 54.000 0.002 0.000 0.656 574 D CB -0.803 40.012 40.800 0.025 0.000 1.025 574 D HN 0.393 nan 8.370 nan 0.000 0.419 575 S N 0.151 115.842 115.700 -0.015 0.000 2.599 575 S HA 0.618 5.085 4.470 -0.003 0.000 0.287 575 S C -0.387 174.167 174.600 -0.077 0.000 1.105 575 S CA -1.030 57.123 58.200 -0.078 0.000 0.899 575 S CB 3.159 66.333 63.200 -0.043 0.000 1.100 575 S HN 0.320 nan 8.310 nan 0.000 0.482 576 E N 0.692 120.766 120.200 -0.211 0.000 2.356 576 E HA 0.490 4.838 4.350 -0.003 0.000 0.275 576 E C -1.903 174.488 176.600 -0.348 0.000 0.904 576 E CA -0.780 55.543 56.400 -0.127 0.000 0.757 576 E CB 0.958 30.655 29.700 -0.006 0.000 1.232 576 E HN 0.430 nan 8.360 nan 0.000 0.442 577 F N 1.668 121.621 119.950 0.004 0.000 2.691 577 F HA 0.358 4.883 4.527 -0.004 0.000 0.371 577 F C -0.376 175.477 175.800 0.089 0.000 1.159 577 F CA -0.815 57.231 58.000 0.077 0.000 1.174 577 F CB 1.076 40.074 39.000 -0.004 0.000 1.419 577 F HN 0.133 nan 8.300 nan 0.000 0.514 578 N N 2.793 121.622 118.700 0.216 0.000 2.430 578 N HA 0.291 5.029 4.740 -0.003 0.000 0.292 578 N C -0.024 175.596 175.510 0.183 0.000 1.051 578 N CA -0.700 52.452 53.050 0.170 0.000 0.917 578 N CB 1.432 39.980 38.487 0.101 0.000 1.164 578 N HN 0.410 nan 8.380 nan 0.000 0.484 579 K N -0.661 119.845 120.400 0.176 0.000 3.156 579 K HA -0.140 4.178 4.320 -0.003 0.000 0.266 579 K C -0.971 175.728 176.600 0.165 0.000 0.966 579 K CA 0.290 56.669 56.287 0.153 0.000 0.719 579 K CB -1.394 31.169 32.500 0.104 0.000 1.333 579 K HN 0.271 nan 8.250 nan 0.000 0.468 580 V N 1.403 121.469 119.914 0.252 0.000 2.333 580 V HA 0.178 4.296 4.120 -0.003 0.000 0.274 580 V C 0.491 176.657 176.094 0.120 0.000 1.028 580 V CA -0.392 62.023 62.300 0.192 0.000 0.851 580 V CB 1.685 33.758 31.823 0.416 0.000 1.000 580 V HN 0.217 nan 8.190 nan 0.000 0.456 581 T N 5.969 120.494 114.554 -0.048 0.000 2.770 581 T HA 0.623 4.971 4.350 -0.003 0.000 0.283 581 T C -0.555 174.062 174.700 -0.138 0.000 0.988 581 T CA -0.120 61.993 62.100 0.021 0.000 0.957 581 T CB 0.500 69.416 68.868 0.081 0.000 0.930 581 T HN 0.275 nan 8.240 nan 0.000 0.443 582 F N 2.647 122.629 119.950 0.054 0.000 2.408 582 F HA 0.581 5.105 4.527 -0.003 0.000 0.344 582 F C 1.199 177.022 175.800 0.039 0.000 1.112 582 F CA -0.714 57.295 58.000 0.015 0.000 1.096 582 F CB 1.505 40.457 39.000 -0.080 0.000 1.129 582 F HN 0.507 nan 8.300 nan 0.000 0.486 583 T N -1.536 113.144 114.554 0.211 0.000 2.906 583 T HA 0.406 4.754 4.350 -0.003 0.000 0.295 583 T C -0.392 174.357 174.700 0.083 0.000 1.061 583 T CA -1.041 61.137 62.100 0.131 0.000 1.000 583 T CB 1.762 70.696 68.868 0.110 0.000 1.103 583 T HN 0.710 nan 8.240 nan 0.000 0.486 584 E N -0.256 119.972 120.200 0.047 0.000 2.440 584 E HA -0.198 4.150 4.350 -0.003 0.000 0.246 584 E C -0.268 176.345 176.600 0.022 0.000 1.165 584 E CA -0.030 56.381 56.400 0.018 0.000 0.726 584 E CB -1.301 28.393 29.700 -0.010 0.000 1.271 584 E HN 0.579 nan 8.360 nan 0.000 0.397 585 L N 1.059 122.303 121.223 0.035 0.000 2.540 585 L HA -0.049 4.289 4.340 -0.003 0.000 0.276 585 L C 0.867 177.728 176.870 -0.015 0.000 1.212 585 L CA 0.863 55.711 54.840 0.013 0.000 0.893 585 L CB 0.408 42.448 42.059 -0.031 0.000 1.138 585 L HN 0.037 nan 8.230 nan 0.000 0.491 586 R N 5.006 125.493 120.500 -0.023 0.000 3.701 586 R HA 0.484 4.822 4.340 -0.003 0.000 0.210 586 R C 0.033 176.303 176.300 -0.051 0.000 1.598 586 R CA 0.277 56.357 56.100 -0.033 0.000 1.427 586 R CB -0.320 29.961 30.300 -0.031 0.000 1.339 586 R HN 0.898 nan 8.270 nan 0.000 0.720 587 G N 0.277 109.047 108.800 -0.049 0.000 2.320 587 G HA2 -0.080 3.878 3.960 -0.003 0.000 0.297 587 G HA3 -0.080 3.878 3.960 -0.003 0.000 0.297 587 G C -0.609 174.266 174.900 -0.042 0.000 1.344 587 G CA -0.725 44.343 45.100 -0.052 0.000 0.851 587 G HN 0.155 nan 8.290 nan 0.000 0.567 588 D N -0.287 120.100 120.400 -0.022 0.000 2.113 588 D HA 0.125 4.763 4.640 -0.003 0.000 0.206 588 D C 1.709 177.985 176.300 -0.041 0.000 0.979 588 D CA 2.184 56.174 54.000 -0.016 0.000 0.862 588 D CB -0.169 40.633 40.800 0.004 0.000 1.013 588 D HN 0.743 nan 8.370 nan 0.000 0.455 589 T N -1.554 112.978 114.554 -0.037 0.000 2.856 589 T HA 0.373 4.721 4.350 -0.003 0.000 0.283 589 T C -2.190 172.372 174.700 -0.231 0.000 1.008 589 T CA -1.756 60.260 62.100 -0.139 0.000 0.997 589 T CB 3.041 71.807 68.868 -0.169 0.000 0.992 589 T HN -0.224 nan 8.240 nan 0.000 0.454 590 P HA 0.033 nan 4.420 nan 0.000 0.217 590 P C -0.211 176.533 177.300 -0.928 0.000 1.151 590 P CA 0.664 63.131 63.100 -1.055 0.000 0.828 590 P CB 0.075 30.568 31.700 -2.012 0.000 0.788 591 W N 0.889 121.896 121.300 -0.489 0.000 2.361 591 W HA 0.322 4.980 4.660 -0.004 0.000 0.309 591 W C 0.598 176.696 176.519 -0.702 0.000 1.122 591 W CA -0.388 56.637 57.345 -0.533 0.000 1.208 591 W CB 0.610 29.889 29.460 -0.303 0.000 1.246 591 W HN -0.006 nan 8.180 nan 0.000 0.490 592 H N 4.107 122.960 119.070 -0.362 0.000 3.013 592 H HA 0.302 4.856 4.556 -0.003 0.000 0.326 592 H C -1.369 173.752 175.328 -0.345 0.000 0.973 592 H CA -0.872 55.032 56.048 -0.241 0.000 1.369 592 H CB 1.201 30.864 29.762 -0.165 0.000 1.598 592 H HN 0.275 nan 8.280 nan 0.000 0.518 593 F N 1.853 121.864 119.950 0.102 0.000 2.520 593 F HA 0.392 4.917 4.527 -0.003 0.000 0.322 593 F C 0.273 176.101 175.800 0.046 0.000 1.103 593 F CA -0.732 57.301 58.000 0.055 0.000 0.926 593 F CB 2.308 41.304 39.000 -0.007 0.000 1.154 593 F HN 0.409 nan 8.300 nan 0.000 0.453 594 S N 1.604 117.452 115.700 0.246 0.000 2.537 594 S HA 0.409 4.877 4.470 -0.003 0.000 0.270 594 S C -1.118 173.549 174.600 0.112 0.000 1.142 594 S CA -0.861 57.425 58.200 0.143 0.000 0.870 594 S CB 1.841 65.104 63.200 0.106 0.000 1.112 594 S HN 0.710 nan 8.310 nan 0.000 0.466 595 E N -0.156 120.080 120.200 0.061 0.000 2.240 595 E HA -0.146 4.201 4.350 -0.003 0.000 0.194 595 E C -0.003 176.601 176.600 0.006 0.000 1.385 595 E CA 1.076 57.490 56.400 0.024 0.000 0.686 595 E CB -2.315 27.410 29.700 0.043 0.000 1.125 595 E HN 1.205 nan 8.360 nan 0.000 0.359 596 V N -2.381 117.522 119.914 -0.019 0.000 3.046 596 V HA 0.852 4.970 4.120 -0.003 0.000 0.316 596 V C -0.048 175.971 176.094 -0.125 0.000 1.104 596 V CA -0.906 61.362 62.300 -0.053 0.000 1.006 596 V CB 2.878 34.676 31.823 -0.042 0.000 1.058 596 V HN 0.294 nan 8.190 nan 0.000 0.440 597 K N 2.105 122.412 120.400 -0.154 0.000 2.550 597 K HA 0.425 4.743 4.320 -0.003 0.000 0.252 597 K C -0.178 176.336 176.600 -0.143 0.000 0.943 597 K CA -0.321 55.864 56.287 -0.169 0.000 0.806 597 K CB 1.218 33.577 32.500 -0.235 0.000 1.289 597 K HN 1.092 nan 8.250 nan 0.000 0.435 598 N N 1.664 120.290 118.700 -0.123 0.000 2.740 598 N HA -0.181 4.557 4.740 -0.003 0.000 0.248 598 N C -1.459 173.996 175.510 -0.091 0.000 1.062 598 N CA 1.151 54.143 53.050 -0.097 0.000 0.704 598 N CB -0.862 37.579 38.487 -0.076 0.000 0.968 598 N HN 0.329 nan 8.380 nan 0.000 0.547 599 V N -0.795 119.038 119.914 -0.135 0.000 2.459 599 V HA 0.668 4.786 4.120 -0.003 0.000 0.295 599 V C -0.064 175.901 176.094 -0.214 0.000 1.029 599 V CA -0.637 61.579 62.300 -0.140 0.000 0.874 599 V CB 1.501 33.266 31.823 -0.096 0.000 0.985 599 V HN 0.199 nan 8.190 nan 0.000 0.438 600 K N 4.479 124.805 120.400 -0.122 0.000 2.259 600 K HA 0.736 5.054 4.320 -0.003 0.000 0.249 600 K C -1.192 175.352 176.600 -0.092 0.000 0.942 600 K CA -0.781 55.430 56.287 -0.127 0.000 0.816 600 K CB 2.473 34.935 32.500 -0.065 0.000 1.155 600 K HN 0.765 nan 8.250 nan 0.000 0.428 601 V N 1.611 121.423 119.914 -0.171 0.000 2.407 601 V HA 0.261 4.379 4.120 -0.003 0.000 0.291 601 V C -0.523 175.538 176.094 -0.055 0.000 1.018 601 V CA -0.294 61.916 62.300 -0.150 0.000 0.842 601 V CB 0.963 32.479 31.823 -0.512 0.000 0.996 601 V HN 0.868 nan 8.190 nan 0.000 0.426 602 D N 3.425 123.840 120.400 0.024 0.000 3.039 602 D HA -0.147 4.491 4.640 -0.003 0.000 0.222 602 D C 0.468 176.780 176.300 0.020 0.000 1.179 602 D CA 1.805 55.832 54.000 0.045 0.000 0.880 602 D CB -0.987 39.860 40.800 0.077 0.000 1.115 602 D HN 1.206 nan 8.370 nan 0.000 0.416 603 G N 0.191 108.990 108.800 -0.002 0.000 2.544 603 G HA2 0.460 4.418 3.960 -0.003 0.000 0.313 603 G HA3 0.460 4.418 3.960 -0.003 0.000 0.313 603 G C -0.312 174.566 174.900 -0.036 0.000 1.316 603 G CA -0.592 44.487 45.100 -0.035 0.000 0.944 603 G HN 0.094 nan 8.290 nan 0.000 0.489 604 K N 2.342 122.717 120.400 -0.043 0.000 4.926 604 K HA -0.144 4.174 4.320 -0.003 0.000 0.412 604 K C -2.132 174.402 176.600 -0.110 0.000 0.867 604 K CA 0.159 56.403 56.287 -0.071 0.000 0.998 604 K CB -0.230 32.229 32.500 -0.068 0.000 1.967 604 K HN 0.373 nan 8.250 nan 0.000 0.314 605 P HA -0.239 nan 4.420 nan 0.000 0.065 605 P C -0.497 176.709 177.300 -0.157 0.000 0.725 605 P CA 0.517 63.545 63.100 -0.120 0.000 1.040 605 P CB -0.093 31.560 31.700 -0.079 0.000 1.792 606 V N 2.489 122.255 119.914 -0.246 0.000 2.508 606 V HA 0.286 4.404 4.120 -0.003 0.000 0.281 606 V C 1.284 177.274 176.094 -0.174 0.000 1.041 606 V CA 0.406 62.529 62.300 -0.294 0.000 1.016 606 V CB 0.701 32.141 31.823 -0.639 0.000 0.984 606 V HN 0.584 nan 8.190 nan 0.000 0.478 607 A N 0.000 122.761 122.820 -0.099 0.000 2.254 607 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 607 A CA 0.000 52.001 52.037 -0.060 0.000 0.836 607 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 607 A HN 0.000 nan 8.150 nan 0.000 0.486