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 2uve_1_A 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 VMTLDYADSN ANIDYPPAKI PAQFYDFTLK NVTVDNSTGK DATA SEQUENCE NPSIEIKGDT ANKAWHRLVH VNNVQLNNVT PTAISDLRDS EFNKVTFTEL DATA SEQUENCE RGDTPWHFSE VKNVKVDGKP V 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 0.000 176.354 176.300 0.091 0.000 2.045 36 D CA 0.000 54.052 54.000 0.086 0.000 0.868 36 D CB 0.000 40.840 40.800 0.067 0.000 0.688 37 A N 2.313 125.166 122.820 0.054 0.000 2.425 37 A HA 0.582 4.903 4.320 0.001 0.000 0.249 37 A C -2.217 175.400 177.584 0.055 0.000 1.084 37 A CA -0.750 51.310 52.037 0.038 0.000 0.781 37 A CB -0.104 18.902 19.000 0.012 0.000 1.019 37 A HN 0.357 nan 8.150 nan 0.000 0.490 38 P HA 0.151 nan 4.420 nan 0.000 0.266 38 P C -0.615 176.715 177.300 0.049 0.000 1.195 38 P CA 0.383 63.536 63.100 0.088 0.000 0.768 38 P CB 0.385 32.094 31.700 0.015 0.000 0.838 39 Q N 1.471 121.312 119.800 0.069 0.000 2.226 39 Q HA 0.331 4.671 4.340 0.001 0.000 0.256 39 Q C -0.200 175.830 176.000 0.049 0.000 0.962 39 Q CA -0.647 55.178 55.803 0.036 0.000 0.887 39 Q CB 1.075 29.817 28.738 0.007 0.000 1.282 39 Q HN 0.313 nan 8.270 nan 0.000 0.449 40 Q N 0.327 120.144 119.800 0.028 0.000 2.478 40 Q HA -0.202 4.139 4.340 0.001 0.000 0.286 40 Q C -0.871 175.190 176.000 0.102 0.000 1.299 40 Q CA -0.097 55.723 55.803 0.027 0.000 0.826 40 Q CB -1.287 27.421 28.738 -0.051 0.000 1.199 40 Q HN 0.479 nan 8.270 nan 0.000 0.451 41 L N 1.747 123.044 121.223 0.123 0.000 2.525 41 L HA 0.043 4.384 4.340 0.001 0.000 0.278 41 L C 0.320 177.268 176.870 0.131 0.000 1.218 41 L CA 1.464 56.402 54.840 0.164 0.000 0.878 41 L CB 0.359 42.475 42.059 0.096 0.000 1.127 41 L HN 0.291 nan 8.230 nan 0.000 0.492 42 Q N 3.027 122.915 119.800 0.146 0.000 2.527 42 Q HA 0.464 4.804 4.340 0.001 0.000 0.280 42 Q C -1.850 174.211 176.000 0.102 0.000 0.977 42 Q CA -1.103 54.771 55.803 0.117 0.000 0.837 42 Q CB 1.192 30.004 28.738 0.125 0.000 1.454 42 Q HN 0.310 nan 8.270 nan 0.000 0.387 43 V N 2.327 122.294 119.914 0.088 0.000 2.408 43 V HA 0.314 4.435 4.120 0.001 0.000 0.267 43 V C -2.054 174.117 176.094 0.129 0.000 1.047 43 V CA -1.350 61.002 62.300 0.086 0.000 0.937 43 V CB 0.407 32.267 31.823 0.063 0.000 0.999 43 V HN 0.667 nan 8.190 nan 0.000 0.472 44 P HA 0.045 nan 4.420 nan 0.000 0.266 44 P C 0.268 177.682 177.300 0.189 0.000 1.193 44 P CA 0.017 63.243 63.100 0.209 0.000 0.770 44 P CB 0.065 31.951 31.700 0.309 0.000 0.836 45 T N 4.626 119.302 114.554 0.203 0.000 2.656 45 T HA -0.096 4.254 4.350 0.001 0.000 0.258 45 T C 1.165 175.927 174.700 0.104 0.000 1.020 45 T CA 0.579 62.789 62.100 0.183 0.000 1.191 45 T CB -0.826 68.159 68.868 0.195 0.000 1.004 45 T HN 0.425 nan 8.240 nan 0.000 0.498 46 L N -0.051 121.210 121.223 0.063 0.000 4.555 46 L HA -0.285 4.055 4.340 0.001 0.000 0.431 46 L C 1.376 177.804 176.870 -0.736 0.000 1.136 46 L CA 0.707 55.387 54.840 -0.266 0.000 0.972 46 L CB -1.726 40.257 42.059 -0.127 0.000 1.999 46 L HN 0.798 nan 8.230 nan 0.000 0.900 47 A N 0.245 122.723 122.820 -0.570 0.000 3.033 47 A HA 0.457 4.777 4.320 0.001 0.000 0.250 47 A C -0.013 177.407 177.584 -0.274 0.000 1.633 47 A CA 0.270 51.767 52.037 -0.901 0.000 1.290 47 A CB -0.800 18.033 19.000 -0.278 0.000 1.048 47 A HN 0.541 nan 8.150 nan 0.000 0.648 48 Y N -2.284 117.811 120.300 -0.343 0.000 2.624 48 Y HA 0.680 5.231 4.550 0.001 0.000 0.334 48 Y C -0.815 175.032 175.900 -0.088 0.000 1.155 48 Y CA -1.316 56.700 58.100 -0.141 0.000 1.046 48 Y CB 0.979 39.407 38.460 -0.053 0.000 1.316 48 Y HN 0.265 nan 8.280 nan 0.000 0.457 49 D N -0.593 119.847 120.400 0.067 0.000 3.344 49 D HA 0.118 4.759 4.640 0.001 0.000 0.308 49 D C 0.643 177.028 176.300 0.143 0.000 1.356 49 D CA -0.071 53.945 54.000 0.027 0.000 0.998 49 D CB -0.253 40.537 40.800 -0.017 0.000 1.370 49 D HN 0.639 nan 8.370 nan 0.000 0.610 50 E N 0.021 120.280 120.200 0.098 0.000 2.409 50 E HA -0.081 4.270 4.350 0.001 0.000 0.198 50 E C 0.564 177.233 176.600 0.115 0.000 1.024 50 E CA 1.454 57.922 56.400 0.113 0.000 0.861 50 E CB -0.216 29.534 29.700 0.083 0.000 0.788 50 E HN 0.381 nan 8.360 nan 0.000 0.521 51 S N -0.788 114.969 115.700 0.094 0.000 2.817 51 S HA 0.203 4.673 4.470 0.001 0.000 0.262 51 S C 0.315 174.941 174.600 0.044 0.000 1.051 51 S CA -0.066 58.180 58.200 0.076 0.000 1.185 51 S CB 0.281 63.519 63.200 0.062 0.000 1.152 51 S HN 0.244 nan 8.310 nan 0.000 0.653 52 S N 0.613 116.343 115.700 0.050 0.000 2.570 52 S HA 0.830 5.301 4.470 0.001 0.000 0.270 52 S C -1.291 173.334 174.600 0.042 0.000 1.149 52 S CA -0.866 57.334 58.200 0.001 0.000 0.837 52 S CB 1.353 64.527 63.200 -0.044 0.000 1.124 52 S HN 0.309 nan 8.310 nan 0.000 0.465 53 I N 1.239 121.802 120.570 -0.012 0.000 2.644 53 I HA 0.419 4.590 4.170 0.001 0.000 0.291 53 I C -1.237 174.836 176.117 -0.074 0.000 1.180 53 I CA -0.955 60.350 61.300 0.009 0.000 1.040 53 I CB 2.377 40.385 38.000 0.014 0.000 1.255 53 I HN 0.523 nan 8.210 nan 0.000 0.422 54 V N 6.589 126.490 119.914 -0.022 0.000 2.532 54 V HA 0.526 4.646 4.120 0.001 0.000 0.295 54 V C -0.118 175.978 176.094 0.003 0.000 1.041 54 V CA -0.505 61.798 62.300 0.005 0.000 0.926 54 V CB 1.787 33.688 31.823 0.132 0.000 0.992 54 V HN 0.431 nan 8.190 nan 0.000 0.457 55 L N 5.185 126.419 121.223 0.019 0.000 2.362 55 L HA 0.900 5.240 4.340 0.001 0.000 0.271 55 L C -0.511 176.380 176.870 0.036 0.000 1.002 55 L CA -0.850 54.022 54.840 0.054 0.000 0.818 55 L CB 2.057 44.153 42.059 0.061 0.000 1.298 55 L HN 0.604 nan 8.230 nan 0.000 0.420 56 V N -1.094 118.822 119.914 0.003 0.000 3.159 56 V HA 0.823 4.943 4.120 0.001 0.000 0.308 56 V C -1.888 174.229 176.094 0.037 0.000 1.190 56 V CA -0.634 61.464 62.300 -0.337 0.000 1.037 56 V CB 1.982 33.485 31.823 -0.533 0.000 1.060 56 V HN 0.955 nan 8.190 nan 0.000 0.437 57 W N -0.017 121.203 121.300 -0.133 0.000 3.146 57 W HA 0.752 5.413 4.660 0.000 0.000 0.319 57 W C -1.197 175.294 176.519 -0.048 0.000 1.258 57 W CA -1.094 56.201 57.345 -0.084 0.000 1.189 57 W CB 1.069 30.411 29.460 -0.196 0.000 1.412 57 W HN 0.653 nan 8.180 nan 0.000 0.567 58 K N 1.794 122.257 120.400 0.106 0.000 2.350 58 K HA 0.527 4.847 4.320 0.001 0.000 0.279 58 K C 0.080 176.744 176.600 0.108 0.000 1.027 58 K CA -0.100 56.188 56.287 0.001 0.000 0.969 58 K CB 1.042 33.468 32.500 -0.124 0.000 0.954 58 K HN 0.579 nan 8.250 nan 0.000 0.474 59 A N 4.544 127.406 122.820 0.071 0.000 2.312 59 A HA 0.497 4.817 4.320 0.001 0.000 0.328 59 A C -2.121 175.544 177.584 0.135 0.000 1.158 59 A CA -1.580 50.572 52.037 0.191 0.000 0.821 59 A CB 0.239 19.359 19.000 0.201 0.000 1.170 59 A HN 0.509 nan 8.150 nan 0.000 0.490 60 P HA 0.094 nan 4.420 nan 0.000 0.274 60 P C 0.478 177.832 177.300 0.090 0.000 1.260 60 P CA -0.187 62.975 63.100 0.104 0.000 0.793 60 P CB 0.730 32.502 31.700 0.121 0.000 1.048 61 E N -0.409 119.826 120.200 0.058 0.000 2.077 61 E HA -0.204 4.147 4.350 0.001 0.000 0.193 61 E C 0.091 176.736 176.600 0.076 0.000 0.989 61 E CA 1.044 57.473 56.400 0.049 0.000 0.800 61 E CB -0.059 29.657 29.700 0.027 0.000 0.746 61 E HN 0.399 nan 8.360 nan 0.000 0.452 62 D N -0.458 119.994 120.400 0.088 0.000 2.392 62 D HA 0.054 4.694 4.640 0.001 0.000 0.228 62 D C -0.292 176.086 176.300 0.130 0.000 1.074 62 D CA -0.236 53.825 54.000 0.103 0.000 0.838 62 D CB 1.488 42.333 40.800 0.075 0.000 1.067 62 D HN 0.044 nan 8.370 nan 0.000 0.511 63 T N 0.656 115.306 114.554 0.160 0.000 3.182 63 T HA 0.213 4.563 4.350 0.001 0.000 0.277 63 T C 1.453 176.221 174.700 0.113 0.000 1.013 63 T CA -0.391 61.804 62.100 0.157 0.000 0.900 63 T CB -0.032 68.952 68.868 0.193 0.000 1.098 63 T HN 0.257 nan 8.240 nan 0.000 0.543 64 R N 1.336 121.896 120.500 0.100 0.000 2.139 64 R HA 0.009 4.349 4.340 0.001 0.000 0.243 64 R C 1.955 178.285 176.300 0.049 0.000 1.145 64 R CA 1.413 57.549 56.100 0.060 0.000 0.976 64 R CB -0.087 30.246 30.300 0.055 0.000 0.866 64 R HN 0.408 nan 8.270 nan 0.000 0.449 65 K N -0.348 120.101 120.400 0.082 0.000 2.352 65 K HA 0.164 4.485 4.320 0.001 0.000 0.194 65 K C 0.192 176.907 176.600 0.193 0.000 1.038 65 K CA 0.139 56.492 56.287 0.110 0.000 1.023 65 K CB 0.566 33.100 32.500 0.057 0.000 0.840 65 K HN 0.063 nan 8.250 nan 0.000 0.519 66 I N 1.932 122.587 120.570 0.141 0.000 2.371 66 I HA -0.014 4.156 4.170 0.001 0.000 0.290 66 I C 1.084 177.180 176.117 -0.035 0.000 1.028 66 I CA -0.360 60.943 61.300 0.005 0.000 1.345 66 I CB 1.464 39.423 38.000 -0.070 0.000 1.407 66 I HN -0.136 nan 8.210 nan 0.000 0.501 67 V N 0.307 120.172 119.914 -0.082 0.000 3.645 67 V HA 0.449 4.570 4.120 0.001 0.000 0.275 67 V C 0.096 176.164 176.094 -0.044 0.000 1.356 67 V CA 0.379 62.650 62.300 -0.049 0.000 1.051 67 V CB 0.252 32.057 31.823 -0.030 0.000 0.828 67 V HN 0.810 nan 8.190 nan 0.000 0.441 68 D N -1.948 118.374 120.400 -0.129 0.000 2.804 68 D HA 0.393 5.033 4.640 0.001 0.000 0.309 68 D C -2.227 173.905 176.300 -0.281 0.000 1.311 68 D CA -0.311 53.661 54.000 -0.046 0.000 0.765 68 D CB 1.634 42.435 40.800 0.002 0.000 1.293 68 D HN 0.057 nan 8.370 nan 0.000 0.434 69 Y N 0.375 120.708 120.300 0.054 0.000 2.504 69 Y HA 0.434 4.985 4.550 0.001 0.000 0.344 69 Y C -0.185 175.643 175.900 -0.121 0.000 1.023 69 Y CA -0.581 57.488 58.100 -0.052 0.000 1.020 69 Y CB 2.203 40.667 38.460 0.008 0.000 1.282 69 Y HN 0.017 nan 8.280 nan 0.000 0.454 70 Q N 2.849 122.594 119.800 -0.092 0.000 2.342 70 Q HA 0.685 5.025 4.340 0.001 0.000 0.267 70 Q C -1.520 174.159 176.000 -0.536 0.000 1.038 70 Q CA -1.075 54.539 55.803 -0.314 0.000 0.832 70 Q CB 2.889 31.411 28.738 -0.361 0.000 1.323 70 Q HN 0.475 nan 8.270 nan 0.000 0.448 71 I N 1.782 121.856 120.570 -0.826 0.000 2.433 71 I HA 0.426 4.597 4.170 0.001 0.000 0.292 71 I C -1.136 174.489 176.117 -0.819 0.000 1.001 71 I CA -0.186 60.625 61.300 -0.816 0.000 1.119 71 I CB 1.113 38.314 38.000 -1.332 0.000 1.289 71 I HN 0.444 nan 8.210 nan 0.000 0.438 72 F N 3.303 123.136 119.950 -0.195 0.000 2.551 72 F HA 0.615 5.142 4.527 0.000 0.000 0.316 72 F C 0.240 176.060 175.800 0.032 0.000 1.089 72 F CA -0.785 57.170 58.000 -0.075 0.000 0.915 72 F CB 2.210 41.166 39.000 -0.073 0.000 1.186 72 F HN 0.272 nan 8.300 nan 0.000 0.456 73 S N 2.133 117.954 115.700 0.202 0.000 2.596 73 S HA 0.600 5.071 4.470 0.001 0.000 0.318 73 S C 0.018 174.635 174.600 0.029 0.000 1.097 73 S CA 0.070 58.307 58.200 0.063 0.000 1.080 73 S CB 0.809 64.038 63.200 0.048 0.000 0.991 73 S HN 1.506 nan 8.310 nan 0.000 0.471 74 A N 3.279 126.080 122.820 -0.032 0.000 2.687 74 A HA 0.004 4.324 4.320 0.001 0.000 0.299 74 A C 1.612 179.203 177.584 0.012 0.000 1.497 74 A CA 1.107 53.129 52.037 -0.024 0.000 0.751 74 A CB -2.256 16.727 19.000 -0.028 0.000 1.048 74 A HN 2.642 nan 8.150 nan 0.000 0.464 75 G N -1.434 107.383 108.800 0.028 0.000 2.196 75 G HA2 -0.358 3.602 3.960 0.001 0.000 0.268 75 G HA3 -0.358 3.602 3.960 0.001 0.000 0.268 75 G C 0.190 175.164 174.900 0.125 0.000 0.975 75 G CA 1.461 46.555 45.100 -0.010 0.000 0.648 75 G HN 1.639 nan 8.290 nan 0.000 0.538 76 K N 0.417 120.929 120.400 0.186 0.000 2.211 76 K HA 0.522 4.843 4.320 0.001 0.000 0.275 76 K C 0.212 176.962 176.600 0.249 0.000 1.024 76 K CA -1.053 55.357 56.287 0.204 0.000 0.887 76 K CB 0.773 33.340 32.500 0.112 0.000 1.084 76 K HN 0.185 nan 8.250 nan 0.000 0.463 77 L N 6.457 127.800 121.223 0.201 0.000 2.500 77 L HA 0.028 4.368 4.340 0.001 0.000 0.272 77 L C 0.600 177.399 176.870 -0.118 0.000 1.149 77 L CA 0.603 55.351 54.840 -0.153 0.000 0.897 77 L CB 0.144 42.136 42.059 -0.112 0.000 1.178 77 L HN 0.815 nan 8.230 nan 0.000 0.473 78 L N 4.943 126.042 121.223 -0.207 0.000 2.249 78 L HA 0.408 4.748 4.340 0.001 0.000 0.207 78 L C 1.217 178.155 176.870 0.113 0.000 1.090 78 L CA 0.566 55.404 54.840 -0.004 0.000 0.802 78 L CB -0.572 41.498 42.059 0.019 0.000 0.947 78 L HN 0.896 nan 8.230 nan 0.000 0.453 79 G N -0.483 108.272 108.800 -0.076 0.000 2.352 79 G HA2 0.087 4.047 3.960 0.001 0.000 0.283 79 G HA3 0.087 4.047 3.960 0.001 0.000 0.283 79 G C -1.641 173.294 174.900 0.058 0.000 1.308 79 G CA -0.885 44.280 45.100 0.108 0.000 0.892 79 G HN -0.133 nan 8.290 nan 0.000 0.504 80 K N 0.190 120.708 120.400 0.196 0.000 2.123 80 K HA 0.632 4.952 4.320 0.001 0.000 0.259 80 K C 1.272 178.114 176.600 0.404 0.000 0.960 80 K CA -0.112 56.289 56.287 0.189 0.000 0.872 80 K CB 2.155 34.722 32.500 0.111 0.000 1.079 80 K HN 0.668 nan 8.250 nan 0.000 0.440 81 A N 2.004 125.092 122.820 0.448 0.000 1.873 81 A HA -0.246 4.074 4.320 0.001 0.000 0.218 81 A C 2.238 180.016 177.584 0.323 0.000 1.193 81 A CA 2.476 54.835 52.037 0.538 0.000 0.629 81 A CB -0.965 18.436 19.000 0.669 0.000 0.826 81 A HN 0.898 nan 8.150 nan 0.000 0.447 82 S N 0.736 116.584 115.700 0.247 0.000 2.377 82 S HA -0.310 4.160 4.470 0.001 0.000 0.224 82 S C 1.551 176.222 174.600 0.119 0.000 1.042 82 S CA 1.821 60.116 58.200 0.159 0.000 1.086 82 S CB -0.995 62.275 63.200 0.117 0.000 0.995 82 S HN 0.571 nan 8.310 nan 0.000 0.428 83 D N 1.668 122.135 120.400 0.111 0.000 2.123 83 D HA -0.130 4.511 4.640 0.001 0.000 0.196 83 D C 2.046 178.371 176.300 0.042 0.000 0.992 83 D CA 1.166 55.207 54.000 0.068 0.000 0.833 83 D CB -0.769 40.076 40.800 0.076 0.000 0.954 83 D HN 0.578 nan 8.370 nan 0.000 0.455 84 N N 1.035 119.775 118.700 0.067 0.000 2.120 84 N HA -0.140 4.601 4.740 0.001 0.000 0.188 84 N C 1.434 176.990 175.510 0.077 0.000 1.024 84 N CA 0.775 53.804 53.050 -0.036 0.000 0.852 84 N CB -0.055 38.161 38.487 -0.451 0.000 1.003 84 N HN 0.177 nan 8.380 nan 0.000 0.424 85 N N 0.919 119.677 118.700 0.097 0.000 2.166 85 N HA -0.135 4.606 4.740 0.001 0.000 0.186 85 N C 0.761 176.297 175.510 0.043 0.000 1.019 85 N CA 1.012 54.123 53.050 0.102 0.000 0.856 85 N CB -0.226 38.332 38.487 0.117 0.000 0.993 85 N HN 0.333 nan 8.380 nan 0.000 0.426 86 D N 0.833 121.241 120.400 0.013 0.000 2.158 86 D HA -0.158 4.483 4.640 0.001 0.000 0.197 86 D C 1.645 177.878 176.300 -0.112 0.000 0.995 86 D CA 0.946 54.925 54.000 -0.036 0.000 0.846 86 D CB -0.371 40.410 40.800 -0.032 0.000 0.941 86 D HN 0.265 nan 8.370 nan 0.000 0.456 87 N N -0.434 118.155 118.700 -0.184 0.000 2.173 87 N HA -0.084 4.656 4.740 0.001 0.000 0.184 87 N C 1.239 176.427 175.510 -0.537 0.000 1.025 87 N CA 0.865 53.647 53.050 -0.447 0.000 0.852 87 N CB -0.084 38.007 38.487 -0.661 0.000 0.998 87 N HN 0.106 nan 8.380 nan 0.000 0.427 88 F N -0.486 119.414 119.950 -0.084 0.000 2.712 88 F HA 0.369 4.896 4.527 0.001 0.000 0.297 88 F C 1.056 176.810 175.800 -0.076 0.000 1.114 88 F CA -0.269 57.681 58.000 -0.083 0.000 1.305 88 F CB -0.158 38.784 39.000 -0.097 0.000 1.086 88 F HN -0.163 nan 8.300 nan 0.000 0.599 89 S N 2.724 118.481 115.700 0.096 0.000 2.475 89 S HA 0.238 4.709 4.470 0.001 0.000 0.281 89 S C -1.436 173.164 174.600 -0.000 0.000 1.198 89 S CA -1.527 56.695 58.200 0.036 0.000 1.063 89 S CB 0.972 64.207 63.200 0.058 0.000 0.972 89 S HN -0.107 nan 8.310 nan 0.000 0.486 90 P HA 0.091 nan 4.420 nan 0.000 0.225 90 P C 1.116 178.464 177.300 0.080 0.000 1.156 90 P CA 0.639 63.727 63.100 -0.021 0.000 0.787 90 P CB -0.023 31.622 31.700 -0.091 0.000 0.802 91 A N 0.587 123.456 122.820 0.083 0.000 1.929 91 A HA -0.154 4.166 4.320 0.001 0.000 0.216 91 A C 2.337 180.010 177.584 0.148 0.000 1.176 91 A CA 1.801 53.932 52.037 0.156 0.000 0.628 91 A CB -0.972 18.095 19.000 0.111 0.000 0.816 91 A HN 0.029 nan 8.150 nan 0.000 0.444 92 K N 0.487 120.945 120.400 0.098 0.000 2.044 92 K HA -0.121 4.199 4.320 0.001 0.000 0.210 92 K C -0.951 175.681 176.600 0.053 0.000 1.049 92 K CA 2.164 58.503 56.287 0.086 0.000 0.927 92 K CB -1.247 31.292 32.500 0.065 0.000 0.713 92 K HN 0.382 nan 8.250 nan 0.000 0.443 93 P HA -0.132 nan 4.420 nan 0.000 0.217 93 P C 0.906 178.090 177.300 -0.192 0.000 1.150 93 P CA 1.378 64.402 63.100 -0.127 0.000 0.832 93 P CB -0.135 31.411 31.700 -0.257 0.000 0.787 94 Y N -0.539 119.635 120.300 -0.209 0.000 2.200 94 Y HA -0.105 4.445 4.550 0.001 0.000 0.290 94 Y C 2.513 178.276 175.900 -0.229 0.000 1.137 94 Y CA 0.981 58.803 58.100 -0.463 0.000 1.163 94 Y CB -1.223 36.456 38.460 -1.301 0.000 0.988 94 Y HN -0.168 nan 8.280 nan 0.000 0.518 95 I N -0.099 120.533 120.570 0.103 0.000 2.163 95 I HA -0.323 3.847 4.170 0.001 0.000 0.243 95 I C 1.843 178.188 176.117 0.379 0.000 1.085 95 I CA 1.546 63.030 61.300 0.307 0.000 1.347 95 I CB -0.353 37.817 38.000 0.284 0.000 1.044 95 I HN 0.179 nan 8.210 nan 0.000 0.408 96 D N -0.363 120.200 120.400 0.272 0.000 2.117 96 D HA -0.241 4.399 4.640 0.001 0.000 0.197 96 D C 2.047 178.519 176.300 0.286 0.000 0.987 96 D CA 1.268 55.440 54.000 0.288 0.000 0.829 96 D CB -0.515 40.375 40.800 0.149 0.000 0.961 96 D HN 0.427 nan 8.370 nan 0.000 0.460 97 H N -0.296 118.843 119.070 0.114 0.000 2.421 97 H HA -0.144 4.412 4.556 0.001 0.000 0.298 97 H C 2.016 177.392 175.328 0.080 0.000 1.087 97 H CA 0.845 56.922 56.048 0.048 0.000 1.330 97 H CB -0.444 29.272 29.762 -0.076 0.000 1.388 97 H HN 0.151 nan 8.280 nan 0.000 0.526 98 F N 1.119 121.000 119.950 -0.116 0.000 2.154 98 F HA -0.281 4.247 4.527 0.001 0.000 0.301 98 F C 1.344 176.926 175.800 -0.363 0.000 1.087 98 F CA 1.539 59.388 58.000 -0.252 0.000 1.274 98 F CB -0.466 38.444 39.000 -0.150 0.000 1.009 98 F HN 0.100 nan 8.300 nan 0.000 0.485 99 Y N -0.648 119.698 120.300 0.076 0.000 2.511 99 Y HA 0.153 4.703 4.550 0.001 0.000 0.279 99 Y C 2.298 178.137 175.900 -0.101 0.000 1.157 99 Y CA 0.372 58.473 58.100 0.001 0.000 1.300 99 Y CB -1.125 37.407 38.460 0.121 0.000 1.052 99 Y HN 0.071 nan 8.280 nan 0.000 0.529 100 V N 0.609 120.471 119.914 -0.086 0.000 2.324 100 V HA -0.351 3.769 4.120 0.001 0.000 0.250 100 V C 1.369 177.410 176.094 -0.087 0.000 1.060 100 V CA 2.888 65.126 62.300 -0.104 0.000 1.042 100 V CB -0.567 31.130 31.823 -0.210 0.000 0.650 100 V HN 0.435 nan 8.190 nan 0.000 0.450 101 N N -0.151 118.462 118.700 -0.145 0.000 2.251 101 N HA 0.186 4.926 4.740 0.001 0.000 0.217 101 N C -0.046 175.424 175.510 -0.066 0.000 1.124 101 N CA 0.316 53.307 53.050 -0.098 0.000 0.843 101 N CB 0.265 38.681 38.487 -0.118 0.000 1.024 101 N HN 0.673 nan 8.380 nan 0.000 0.501 102 D N 1.177 121.561 120.400 -0.027 0.000 2.943 102 D HA 0.053 4.693 4.640 0.001 0.000 0.249 102 D C -0.305 176.035 176.300 0.066 0.000 1.231 102 D CA -0.232 53.789 54.000 0.036 0.000 0.979 102 D CB -0.059 40.809 40.800 0.112 0.000 1.053 102 D HN -0.168 nan 8.370 nan 0.000 0.504 103 K N 1.192 121.613 120.400 0.036 0.000 2.355 103 K HA 0.085 4.405 4.320 0.001 0.000 0.270 103 K C 0.381 177.019 176.600 0.064 0.000 1.003 103 K CA 0.131 56.443 56.287 0.041 0.000 0.957 103 K CB 0.751 33.264 32.500 0.022 0.000 0.939 103 K HN 0.305 nan 8.250 nan 0.000 0.482 104 D N 0.713 121.153 120.400 0.068 0.000 2.876 104 D HA -0.196 4.444 4.640 0.001 0.000 0.196 104 D C -0.613 175.762 176.300 0.124 0.000 1.014 104 D CA 0.914 54.967 54.000 0.088 0.000 1.012 104 D CB -1.299 39.553 40.800 0.086 0.000 1.080 104 D HN 0.882 nan 8.370 nan 0.000 0.438 105 N N -0.775 118.001 118.700 0.127 0.000 2.716 105 N HA -0.280 4.460 4.740 0.001 0.000 0.250 105 N C 0.799 176.411 175.510 0.171 0.000 1.033 105 N CA 0.650 53.779 53.050 0.131 0.000 0.727 105 N CB -1.404 37.125 38.487 0.071 0.000 0.950 105 N HN 0.364 nan 8.380 nan 0.000 0.541 106 F N 0.960 120.959 119.950 0.081 0.000 2.134 106 F HA -0.085 4.442 4.527 0.000 0.000 0.299 106 F C 1.442 177.329 175.800 0.145 0.000 1.097 106 F CA 1.379 59.433 58.000 0.090 0.000 1.264 106 F CB 0.216 39.253 39.000 0.061 0.000 1.001 106 F HN 0.179 nan 8.300 nan 0.000 0.479 107 Q N 0.796 120.731 119.800 0.225 0.000 2.288 107 Q HA 0.017 4.357 4.340 0.001 0.000 0.254 107 Q C -0.769 175.396 176.000 0.275 0.000 0.932 107 Q CA -0.327 55.639 55.803 0.272 0.000 0.902 107 Q CB 0.686 29.721 28.738 0.494 0.000 1.203 107 Q HN 0.360 nan 8.270 nan 0.000 0.415 108 H N 2.113 121.277 119.070 0.156 0.000 3.157 108 H HA -0.030 4.526 4.556 0.001 0.000 0.299 108 H C -0.537 174.969 175.328 0.297 0.000 0.961 108 H CA 0.831 56.971 56.048 0.154 0.000 1.428 108 H CB 0.342 30.163 29.762 0.098 0.000 1.459 108 H HN 0.205 nan 8.280 nan 0.000 0.566 109 K N 7.024 127.172 120.400 -0.420 0.000 2.285 109 K HA 0.188 4.508 4.320 0.001 0.000 0.286 109 K C 0.074 176.517 176.600 -0.261 0.000 1.072 109 K CA -0.455 55.638 56.287 -0.323 0.000 0.913 109 K CB 0.555 32.839 32.500 -0.360 0.000 1.067 109 K HN 0.583 nan 8.250 nan 0.000 0.479 110 I N 0.550 121.163 120.570 0.071 0.000 2.662 110 I HA 0.347 4.518 4.170 0.001 0.000 0.291 110 I C 0.105 176.297 176.117 0.125 0.000 1.046 110 I CA -0.970 60.444 61.300 0.190 0.000 1.361 110 I CB 1.031 39.193 38.000 0.269 0.000 1.429 110 I HN 0.234 nan 8.210 nan 0.000 0.558 111 V N 3.299 123.320 119.914 0.179 0.000 2.769 111 V HA 0.548 4.668 4.120 0.001 0.000 0.312 111 V C 0.073 176.296 176.094 0.215 0.000 1.058 111 V CA -0.984 61.442 62.300 0.210 0.000 0.952 111 V CB 1.739 33.735 31.823 0.288 0.000 1.019 111 V HN 0.792 nan 8.190 nan 0.000 0.445 112 M N 3.084 122.830 119.600 0.244 0.000 2.235 112 M HA 0.435 4.915 4.480 0.001 0.000 0.351 112 M C 0.208 176.532 176.300 0.040 0.000 1.178 112 M CA 0.605 56.008 55.300 0.173 0.000 1.143 112 M CB 0.658 33.391 32.600 0.221 0.000 1.530 112 M HN 0.890 nan 8.290 nan 0.000 0.461 113 Q N 1.550 121.125 119.800 -0.375 0.000 2.084 113 Q HA 0.218 4.558 4.340 0.001 0.000 0.230 113 Q C -0.571 174.368 176.000 -1.767 0.000 0.806 113 Q CA -0.266 54.744 55.803 -1.322 0.000 1.083 113 Q CB 0.777 28.863 28.738 -1.087 0.000 1.208 113 Q HN 0.778 nan 8.270 nan 0.000 0.462 114 N N -0.378 117.726 118.700 -0.993 0.000 2.494 114 N HA 0.462 5.202 4.740 0.001 0.000 0.270 114 N C -1.664 173.900 175.510 0.090 0.000 1.285 114 N CA -0.507 52.210 53.050 -0.554 0.000 0.812 114 N CB 2.125 40.426 38.487 -0.310 0.000 1.557 114 N HN -0.007 nan 8.380 nan 0.000 0.487 115 F N 0.271 120.261 119.950 0.066 0.000 2.623 115 F HA 0.363 4.890 4.527 0.000 0.000 0.323 115 F C -1.407 174.375 175.800 -0.029 0.000 1.158 115 F CA -0.197 57.881 58.000 0.131 0.000 1.030 115 F CB 2.004 41.155 39.000 0.252 0.000 1.280 115 F HN 0.444 nan 8.300 nan 0.000 0.474 116 T N 5.644 119.958 114.554 -0.399 0.000 2.749 116 T HA 0.513 4.864 4.350 0.001 0.000 0.287 116 T C -0.745 173.609 174.700 -0.577 0.000 0.970 116 T CA -0.519 61.268 62.100 -0.520 0.000 0.980 116 T CB 1.362 69.670 68.868 -0.934 0.000 0.924 116 T HN 0.333 nan 8.240 nan 0.000 0.456 117 V N 6.048 125.817 119.914 -0.243 0.000 2.350 117 V HA 0.504 4.625 4.120 0.001 0.000 0.276 117 V C 0.320 176.331 176.094 -0.139 0.000 1.028 117 V CA -0.753 61.496 62.300 -0.085 0.000 0.860 117 V CB 0.068 31.883 31.823 -0.014 0.000 0.990 117 V HN 0.834 nan 8.190 nan 0.000 0.453 118 I N 1.216 121.732 120.570 -0.091 0.000 3.237 118 I HA 0.989 5.159 4.170 0.001 0.000 0.308 118 I C 0.989 177.115 176.117 0.016 0.000 1.093 118 I CA -0.442 60.839 61.300 -0.032 0.000 1.001 118 I CB 1.915 39.934 38.000 0.030 0.000 1.245 118 I HN 0.737 nan 8.210 nan 0.000 0.485 119 G N 1.643 110.463 108.800 0.033 0.000 2.147 119 G HA2 -0.177 3.784 3.960 0.001 0.000 0.244 119 G HA3 -0.177 3.784 3.960 0.001 0.000 0.244 119 G C -0.195 174.724 174.900 0.031 0.000 1.005 119 G CA 0.364 45.490 45.100 0.043 0.000 0.713 119 G HN 0.582 nan 8.290 nan 0.000 0.515 120 L N -1.037 120.190 121.223 0.007 0.000 2.454 120 L HA 0.595 4.935 4.340 0.001 0.000 0.256 120 L C 0.942 177.888 176.870 0.126 0.000 1.136 120 L CA -0.756 54.091 54.840 0.011 0.000 0.804 120 L CB 0.742 42.724 42.059 -0.128 0.000 1.181 120 L HN 0.026 nan 8.230 nan 0.000 0.469 121 K N 0.733 121.280 120.400 0.244 0.000 2.118 121 K HA 0.417 4.737 4.320 0.001 0.000 0.254 121 K C -2.462 174.254 176.600 0.192 0.000 0.961 121 K CA -1.737 54.666 56.287 0.194 0.000 0.876 121 K CB 1.264 33.872 32.500 0.180 0.000 1.077 121 K HN 0.211 nan 8.250 nan 0.000 0.440 122 P HA -0.018 nan 4.420 nan 0.000 0.271 122 P C -1.037 176.322 177.300 0.099 0.000 1.216 122 P CA 0.103 63.273 63.100 0.116 0.000 0.776 122 P CB 0.304 32.056 31.700 0.086 0.000 0.881 123 E N -1.003 119.257 120.200 0.101 0.000 2.228 123 E HA -0.174 4.177 4.350 0.001 0.000 0.213 123 E C -0.726 175.887 176.600 0.021 0.000 1.282 123 E CA 0.690 57.129 56.400 0.065 0.000 0.707 123 E CB -1.970 27.758 29.700 0.047 0.000 1.150 123 E HN 0.427 nan 8.360 nan 0.000 0.362 124 T N 0.454 115.021 114.554 0.022 0.000 2.848 124 T HA 0.351 4.701 4.350 0.001 0.000 0.285 124 T C -0.090 174.447 174.700 -0.272 0.000 0.995 124 T CA -0.666 61.346 62.100 -0.146 0.000 0.970 124 T CB 1.877 70.653 68.868 -0.155 0.000 0.976 124 T HN -0.003 nan 8.240 nan 0.000 0.441 125 S N 2.137 117.623 115.700 -0.356 0.000 2.565 125 S HA 0.577 5.048 4.470 0.001 0.000 0.274 125 S C -1.088 173.116 174.600 -0.661 0.000 1.309 125 S CA -0.436 57.574 58.200 -0.316 0.000 1.043 125 S CB 0.184 63.266 63.200 -0.197 0.000 0.939 125 S HN 0.549 nan 8.310 nan 0.000 0.504 126 Y N 0.729 120.931 120.300 -0.163 0.000 2.492 126 Y HA 0.409 4.959 4.550 0.001 0.000 0.346 126 Y C 0.143 175.713 175.900 -0.550 0.000 0.997 126 Y CA -0.843 57.021 58.100 -0.394 0.000 1.025 126 Y CB 1.354 39.513 38.460 -0.502 0.000 1.263 126 Y HN 0.449 nan 8.280 nan 0.000 0.454 127 Q N 2.582 122.116 119.800 -0.443 0.000 2.235 127 Q HA 0.551 4.891 4.340 0.001 0.000 0.256 127 Q C -2.029 173.630 176.000 -0.568 0.000 0.951 127 Q CA -0.405 55.189 55.803 -0.348 0.000 0.890 127 Q CB 1.354 29.992 28.738 -0.167 0.000 1.279 127 Q HN 0.689 nan 8.270 nan 0.000 0.444 128 F N 0.252 120.227 119.950 0.042 0.000 2.581 128 F HA 0.388 4.916 4.527 0.000 0.000 0.311 128 F C 0.020 175.818 175.800 -0.004 0.000 1.113 128 F CA -0.445 57.567 58.000 0.020 0.000 0.935 128 F CB 2.295 41.303 39.000 0.015 0.000 1.232 128 F HN 0.512 nan 8.300 nan 0.000 0.445 129 T N -0.694 113.973 114.554 0.188 0.000 2.887 129 T HA 0.854 5.204 4.350 0.001 0.000 0.292 129 T C -1.599 173.119 174.700 0.030 0.000 1.087 129 T CA -1.001 61.146 62.100 0.078 0.000 1.009 129 T CB 1.891 70.775 68.868 0.026 0.000 1.203 129 T HN 0.609 nan 8.240 nan 0.000 0.518 130 V N 0.397 120.259 119.914 -0.087 0.000 2.789 130 V HA 0.743 4.863 4.120 0.001 0.000 0.311 130 V C -1.554 174.480 176.094 -0.100 0.000 1.073 130 V CA -0.821 61.334 62.300 -0.242 0.000 0.921 130 V CB 1.975 33.325 31.823 -0.787 0.000 1.009 130 V HN 1.004 nan 8.190 nan 0.000 0.426 131 K N 4.319 124.720 120.400 0.002 0.000 2.371 131 K HA 0.787 5.107 4.320 0.001 0.000 0.251 131 K C -0.518 176.035 176.600 -0.079 0.000 0.934 131 K CA -0.516 55.772 56.287 0.001 0.000 0.798 131 K CB 2.167 34.711 32.500 0.074 0.000 1.204 131 K HN 0.881 nan 8.250 nan 0.000 0.427 132 A N 2.365 125.043 122.820 -0.237 0.000 2.488 132 A HA 0.028 4.349 4.320 0.001 0.000 0.249 132 A C -0.278 176.876 177.584 -0.716 0.000 1.083 132 A CA 0.142 51.755 52.037 -0.707 0.000 0.768 132 A CB 0.208 18.794 19.000 -0.689 0.000 1.017 132 A HN 0.714 nan 8.150 nan 0.000 0.496 133 Q N 1.798 121.202 119.800 -0.660 0.000 2.290 133 Q HA 0.480 4.820 4.340 0.001 0.000 0.259 133 Q C -1.571 174.186 176.000 -0.406 0.000 0.941 133 Q CA -0.413 55.135 55.803 -0.424 0.000 0.912 133 Q CB 0.643 29.248 28.738 -0.222 0.000 1.244 133 Q HN 0.712 nan 8.270 nan 0.000 0.441 134 Y N 1.016 121.263 120.300 -0.088 0.000 2.374 134 Y HA 0.335 4.885 4.550 0.000 0.000 0.322 134 Y C 1.195 177.066 175.900 -0.049 0.000 1.275 134 Y CA -0.067 57.992 58.100 -0.069 0.000 1.307 134 Y CB 0.935 39.365 38.460 -0.049 0.000 1.282 134 Y HN 0.845 nan 8.280 nan 0.000 0.509 135 A N 0.808 123.726 122.820 0.163 0.000 1.884 135 A HA -0.295 4.025 4.320 0.001 0.000 0.219 135 A C 1.589 179.208 177.584 0.058 0.000 1.197 135 A CA 2.384 54.464 52.037 0.072 0.000 0.637 135 A CB -1.071 17.956 19.000 0.046 0.000 0.827 135 A HN 0.885 nan 8.150 nan 0.000 0.450 136 D N -2.494 117.946 120.400 0.066 0.000 2.378 136 D HA 0.296 4.936 4.640 0.001 0.000 0.227 136 D C 1.161 177.491 176.300 0.051 0.000 1.012 136 D CA 1.239 55.264 54.000 0.041 0.000 0.905 136 D CB -0.425 40.386 40.800 0.018 0.000 0.895 136 D HN 0.947 nan 8.370 nan 0.000 0.532 137 G N -0.287 108.555 108.800 0.069 0.000 2.232 137 G HA2 -0.280 3.681 3.960 0.001 0.000 0.226 137 G HA3 -0.280 3.681 3.960 0.001 0.000 0.226 137 G C 0.510 175.447 174.900 0.061 0.000 0.996 137 G CA 0.250 45.380 45.100 0.050 0.000 0.626 137 G HN 0.843 nan 8.290 nan 0.000 0.509 138 S N 0.336 116.098 115.700 0.103 0.000 2.600 138 S HA 0.736 5.206 4.470 0.001 0.000 0.265 138 S C 0.237 174.917 174.600 0.133 0.000 1.325 138 S CA -0.245 58.029 58.200 0.124 0.000 1.002 138 S CB 1.467 64.755 63.200 0.147 0.000 0.921 138 S HN 0.818 nan 8.310 nan 0.000 0.554 139 L N 1.649 122.923 121.223 0.085 0.000 2.342 139 L HA 0.526 4.866 4.340 0.001 0.000 0.271 139 L C 0.667 177.548 176.870 0.017 0.000 1.008 139 L CA -0.949 53.869 54.840 -0.036 0.000 0.818 139 L CB 2.137 44.189 42.059 -0.013 0.000 1.296 139 L HN 0.970 nan 8.230 nan 0.000 0.427 140 S N 0.664 116.290 115.700 -0.123 0.000 2.608 140 S HA 0.372 4.842 4.470 0.001 0.000 0.261 140 S C 0.277 174.876 174.600 -0.001 0.000 1.314 140 S CA -0.908 57.307 58.200 0.025 0.000 0.992 140 S CB 1.117 64.285 63.200 -0.053 0.000 0.935 140 S HN 0.469 nan 8.310 nan 0.000 0.564 141 V N -0.549 119.376 119.914 0.018 0.000 3.032 141 V HA 0.501 4.621 4.120 0.001 0.000 0.307 141 V C 0.899 176.966 176.094 -0.046 0.000 1.097 141 V CA -0.530 61.757 62.300 -0.022 0.000 1.191 141 V CB -1.468 30.349 31.823 -0.010 0.000 0.964 141 V HN 1.249 nan 8.190 nan 0.000 0.494 142 A N 3.925 126.696 122.820 -0.081 0.000 2.466 142 A HA 0.518 4.839 4.320 0.001 0.000 0.238 142 A C 0.909 178.462 177.584 -0.052 0.000 1.074 142 A CA 0.306 52.290 52.037 -0.089 0.000 0.774 142 A CB -0.269 18.651 19.000 -0.134 0.000 1.015 142 A HN 1.861 nan 8.150 nan 0.000 0.498 143 S N 1.454 117.126 115.700 -0.047 0.000 2.593 143 S HA 0.289 4.759 4.470 0.001 0.000 0.269 143 S C -0.010 174.577 174.600 -0.022 0.000 1.334 143 S CA -0.461 57.720 58.200 -0.031 0.000 1.015 143 S CB 0.164 63.338 63.200 -0.042 0.000 0.912 143 S HN 0.581 nan 8.310 nan 0.000 0.541 144 K N 2.722 123.116 120.400 -0.011 0.000 2.511 144 K HA 0.037 4.357 4.320 0.001 0.000 0.277 144 K C -1.908 174.696 176.600 0.006 0.000 1.025 144 K CA -0.458 55.827 56.287 -0.005 0.000 1.112 144 K CB -0.128 32.373 32.500 0.001 0.000 0.859 144 K HN 0.544 nan 8.250 nan 0.000 0.485 145 P HA 0.073 nan 4.420 nan 0.000 0.272 145 P C -0.477 176.850 177.300 0.046 0.000 1.240 145 P CA -0.132 62.984 63.100 0.026 0.000 0.791 145 P CB 0.460 32.162 31.700 0.003 0.000 0.978 146 I N -3.032 117.591 120.570 0.088 0.000 2.689 146 I HA 0.588 4.759 4.170 0.001 0.000 0.299 146 I C -0.783 175.395 176.117 0.102 0.000 1.059 146 I CA -0.756 60.604 61.300 0.100 0.000 1.055 146 I CB 2.409 40.491 38.000 0.137 0.000 1.243 146 I HN 0.067 nan 8.210 nan 0.000 0.425 147 T N 3.555 118.147 114.554 0.063 0.000 2.859 147 T HA 0.855 5.205 4.350 0.001 0.000 0.281 147 T C -0.289 174.458 174.700 0.078 0.000 1.005 147 T CA -0.616 61.506 62.100 0.036 0.000 1.025 147 T CB 1.602 70.459 68.868 -0.019 0.000 0.977 147 T HN 0.946 nan 8.240 nan 0.000 0.458 148 A N 2.320 125.209 122.820 0.116 0.000 2.549 148 A HA 0.794 5.115 4.320 0.001 0.000 0.297 148 A C -1.053 176.586 177.584 0.091 0.000 1.061 148 A CA -0.964 51.131 52.037 0.096 0.000 0.690 148 A CB 1.740 20.857 19.000 0.196 0.000 1.287 148 A HN 0.743 nan 8.150 nan 0.000 0.402 149 K N 1.215 121.589 120.400 -0.043 0.000 2.426 149 K HA 0.572 4.893 4.320 0.001 0.000 0.254 149 K C 0.047 176.631 176.600 -0.026 0.000 0.936 149 K CA -0.219 56.065 56.287 -0.005 0.000 0.801 149 K CB 1.359 33.834 32.500 -0.042 0.000 1.139 149 K HN 0.915 nan 8.250 nan 0.000 0.424 150 T N 0.452 115.102 114.554 0.160 0.000 2.855 150 T HA 0.104 4.455 4.350 0.001 0.000 0.314 150 T C 0.644 175.478 174.700 0.223 0.000 1.077 150 T CA -0.604 61.637 62.100 0.236 0.000 1.095 150 T CB 0.872 69.899 68.868 0.266 0.000 0.987 150 T HN 0.594 nan 8.240 nan 0.000 0.546 151 S N 0.746 116.630 115.700 0.307 0.000 2.681 151 S HA 0.655 5.125 4.470 0.001 0.000 0.270 151 S C 0.374 175.061 174.600 0.145 0.000 1.209 151 S CA -0.769 57.575 58.200 0.239 0.000 0.988 151 S CB 0.395 63.734 63.200 0.232 0.000 1.006 151 S HN 1.256 nan 8.310 nan 0.000 0.558 152 A N 0.668 123.554 122.820 0.109 0.000 2.407 152 A HA 0.466 4.787 4.320 0.001 0.000 0.248 152 A C 0.319 177.945 177.584 0.070 0.000 1.082 152 A CA -0.533 51.551 52.037 0.079 0.000 0.785 152 A CB -0.207 18.831 19.000 0.063 0.000 1.020 152 A HN 0.899 nan 8.150 nan 0.000 0.489 153 K N 2.858 123.294 120.400 0.061 0.000 2.472 153 K HA 0.176 4.497 4.320 0.001 0.000 0.280 153 K C -2.088 174.537 176.600 0.042 0.000 1.028 153 K CA -0.585 55.732 56.287 0.050 0.000 1.045 153 K CB 0.223 32.751 32.500 0.046 0.000 0.902 153 K HN 0.513 nan 8.250 nan 0.000 0.478 154 P HA 0.027 nan 4.420 nan 0.000 0.281 154 P C -1.069 176.249 177.300 0.029 0.000 1.249 154 P CA -0.555 62.563 63.100 0.030 0.000 0.810 154 P CB 0.886 32.599 31.700 0.022 0.000 1.008 155 Q N 1.552 121.369 119.800 0.029 0.000 2.304 155 Q HA 0.064 4.404 4.340 0.001 0.000 0.301 155 Q C -0.789 175.228 176.000 0.029 0.000 1.063 155 Q CA 0.332 56.154 55.803 0.031 0.000 0.947 155 Q CB 0.170 28.928 28.738 0.033 0.000 1.201 155 Q HN 0.310 nan 8.270 nan 0.000 0.389 156 I N 4.880 125.469 120.570 0.031 0.000 2.406 156 I HA 0.290 4.461 4.170 0.001 0.000 0.290 156 I C -0.635 175.508 176.117 0.043 0.000 0.999 156 I CA -0.721 60.596 61.300 0.029 0.000 1.124 156 I CB 1.681 39.696 38.000 0.025 0.000 1.289 156 I HN 0.428 nan 8.210 nan 0.000 0.441 157 V N 6.298 126.239 119.914 0.046 0.000 2.376 157 V HA 0.332 4.452 4.120 0.001 0.000 0.287 157 V C 0.172 176.309 176.094 0.073 0.000 1.015 157 V CA -0.778 61.576 62.300 0.090 0.000 0.834 157 V CB 1.742 33.614 31.823 0.082 0.000 1.001 157 V HN 0.667 nan 8.190 nan 0.000 0.428 158 N N 3.385 122.142 118.700 0.096 0.000 2.434 158 N HA 0.151 4.892 4.740 0.001 0.000 0.272 158 N C 1.095 176.671 175.510 0.109 0.000 1.040 158 N CA -0.214 52.869 53.050 0.055 0.000 0.956 158 N CB 2.232 40.739 38.487 0.032 0.000 1.108 158 N HN 0.529 nan 8.380 nan 0.000 0.481 159 V N 3.015 122.935 119.914 0.010 0.000 2.867 159 V HA -0.106 4.014 4.120 0.001 0.000 0.260 159 V C 1.933 178.063 176.094 0.061 0.000 1.099 159 V CA 1.247 63.555 62.300 0.014 0.000 1.122 159 V CB -0.491 31.226 31.823 -0.176 0.000 0.708 159 V HN 0.571 nan 8.190 nan 0.000 0.490 160 R N 0.456 120.964 120.500 0.013 0.000 2.148 160 R HA -0.059 4.281 4.340 0.001 0.000 0.223 160 R C 1.682 178.005 176.300 0.040 0.000 1.088 160 R CA 1.371 57.491 56.100 0.033 0.000 0.985 160 R CB -0.364 29.957 30.300 0.036 0.000 0.880 160 R HN 0.540 nan 8.270 nan 0.000 0.451 161 D N -0.366 120.054 120.400 0.033 0.000 2.378 161 D HA -0.088 4.552 4.640 0.001 0.000 0.227 161 D C 0.491 176.607 176.300 -0.306 0.000 1.012 161 D CA 0.971 54.904 54.000 -0.110 0.000 0.905 161 D CB 0.065 40.773 40.800 -0.152 0.000 0.895 161 D HN 0.206 nan 8.370 nan 0.000 0.532 162 F N -0.739 119.196 119.950 -0.024 0.000 2.688 162 F HA 0.306 4.833 4.527 0.001 0.000 0.310 162 F C 1.613 177.405 175.800 -0.013 0.000 1.098 162 F CA -0.196 57.792 58.000 -0.020 0.000 1.228 162 F CB 0.952 39.935 39.000 -0.028 0.000 1.042 162 F HN -0.040 nan 8.300 nan 0.000 0.557 163 G N 0.945 109.806 108.800 0.101 0.000 2.132 163 G HA2 -0.106 3.854 3.960 0.001 0.000 0.228 163 G HA3 -0.106 3.854 3.960 0.001 0.000 0.228 163 G C 0.238 175.193 174.900 0.092 0.000 1.000 163 G CA -0.187 44.958 45.100 0.076 0.000 0.693 163 G HN 0.598 nan 8.290 nan 0.000 0.515 164 A N -0.304 122.573 122.820 0.094 0.000 2.440 164 A HA 0.734 5.054 4.320 0.001 0.000 0.251 164 A C 0.171 177.891 177.584 0.227 0.000 1.089 164 A CA 0.748 52.848 52.037 0.104 0.000 0.779 164 A CB 0.611 19.572 19.000 -0.065 0.000 1.022 164 A HN 1.751 nan 8.150 nan 0.000 0.492 165 I N 1.168 121.931 120.570 0.320 0.000 2.656 165 I HA 0.369 4.539 4.170 0.001 0.000 0.292 165 I C -0.424 175.737 176.117 0.073 0.000 1.144 165 I CA -0.538 60.904 61.300 0.237 0.000 1.038 165 I CB 2.262 40.325 38.000 0.104 0.000 1.244 165 I HN 0.726 nan 8.210 nan 0.000 0.420 166 D N 3.555 123.861 120.400 -0.158 0.000 2.690 166 D HA 0.034 4.674 4.640 0.001 0.000 0.236 166 D C 0.477 176.669 176.300 -0.180 0.000 1.218 166 D CA -0.123 53.640 54.000 -0.396 0.000 0.829 166 D CB 0.199 40.519 40.800 -0.800 0.000 1.009 166 D HN 0.591 nan 8.370 nan 0.000 0.482 167 D N -0.865 119.482 120.400 -0.089 0.000 2.363 167 D HA 0.071 4.711 4.640 0.001 0.000 0.226 167 D C 1.777 178.049 176.300 -0.047 0.000 1.020 167 D CA 0.586 54.556 54.000 -0.051 0.000 0.892 167 D CB -0.195 40.593 40.800 -0.020 0.000 0.900 167 D HN 0.346 nan 8.370 nan 0.000 0.531 168 G N 1.048 109.811 108.800 -0.061 0.000 2.213 168 G HA2 -0.290 3.670 3.960 0.001 0.000 0.236 168 G HA3 -0.290 3.670 3.960 0.001 0.000 0.236 168 G C 0.525 175.407 174.900 -0.030 0.000 0.991 168 G CA 0.294 45.366 45.100 -0.047 0.000 0.629 168 G HN 0.679 nan 8.290 nan 0.000 0.517 169 K N -0.022 120.365 120.400 -0.023 0.000 3.361 169 K HA 0.177 4.497 4.320 0.001 0.000 0.150 169 K C -0.449 176.148 176.600 -0.004 0.000 0.968 169 K CA 0.124 56.403 56.287 -0.014 0.000 0.987 169 K CB -0.427 32.067 32.500 -0.010 0.000 0.646 169 K HN 0.148 nan 8.250 nan 0.000 0.392 170 T N 2.252 116.806 114.554 0.000 0.000 2.870 170 T HA 0.161 4.511 4.350 0.001 0.000 0.300 170 T C -0.089 174.622 174.700 0.018 0.000 0.989 170 T CA -0.259 61.849 62.100 0.014 0.000 1.139 170 T CB 0.763 69.648 68.868 0.028 0.000 0.920 170 T HN 0.332 nan 8.240 nan 0.000 0.537 171 L N 4.490 125.720 121.223 0.012 0.000 2.313 171 L HA 0.284 4.625 4.340 0.001 0.000 0.282 171 L C 0.931 177.811 176.870 0.017 0.000 1.092 171 L CA 0.259 55.102 54.840 0.006 0.000 0.831 171 L CB 0.342 42.394 42.059 -0.011 0.000 1.159 171 L HN 0.516 nan 8.230 nan 0.000 0.442 172 N N 2.443 121.158 118.700 0.025 0.000 2.230 172 N HA 0.003 4.743 4.740 0.001 0.000 0.202 172 N C 0.923 176.428 175.510 -0.008 0.000 1.119 172 N CA 0.526 53.597 53.050 0.034 0.000 0.851 172 N CB 0.337 38.878 38.487 0.089 0.000 0.990 172 N HN 0.742 nan 8.380 nan 0.000 0.497 173 T N 1.135 115.670 114.554 -0.031 0.000 2.597 173 T HA -0.214 4.136 4.350 0.001 0.000 0.267 173 T C 1.992 176.671 174.700 -0.036 0.000 1.053 173 T CA 1.417 63.485 62.100 -0.054 0.000 1.165 173 T CB -0.003 68.824 68.868 -0.068 0.000 0.863 173 T HN 0.170 nan 8.240 nan 0.000 0.427 174 K N 1.140 121.531 120.400 -0.015 0.000 2.026 174 K HA 0.063 4.384 4.320 0.001 0.000 0.208 174 K C 2.501 179.097 176.600 -0.007 0.000 1.048 174 K CA 1.180 57.465 56.287 -0.003 0.000 0.929 174 K CB -0.646 31.861 32.500 0.013 0.000 0.713 174 K HN 0.311 nan 8.250 nan 0.000 0.439 175 A N 0.831 123.659 122.820 0.014 0.000 1.873 175 A HA -0.198 4.123 4.320 0.001 0.000 0.218 175 A C 2.185 179.728 177.584 -0.068 0.000 1.193 175 A CA 1.947 54.007 52.037 0.038 0.000 0.629 175 A CB -0.789 18.251 19.000 0.066 0.000 0.826 175 A HN 0.331 nan 8.150 nan 0.000 0.447 176 I N -1.210 119.305 120.570 -0.092 0.000 2.252 176 I HA -0.251 3.920 4.170 0.001 0.000 0.245 176 I C 2.778 178.783 176.117 -0.187 0.000 1.102 176 I CA 1.707 62.913 61.300 -0.156 0.000 1.385 176 I CB -0.327 37.589 38.000 -0.139 0.000 1.064 176 I HN 0.382 nan 8.210 nan 0.000 0.414 177 Q N 1.044 120.769 119.800 -0.125 0.000 2.084 177 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 177 Q C 2.147 178.045 176.000 -0.171 0.000 0.978 177 Q CA 1.767 57.511 55.803 -0.097 0.000 0.844 177 Q CB -0.164 28.570 28.738 -0.008 0.000 0.898 177 Q HN 0.444 nan 8.270 nan 0.000 0.426 178 Q N -0.733 118.943 119.800 -0.207 0.000 2.077 178 Q HA -0.220 4.121 4.340 0.001 0.000 0.206 178 Q C 2.040 177.554 176.000 -0.810 0.000 0.989 178 Q CA 1.646 57.258 55.803 -0.318 0.000 0.853 178 Q CB -0.375 28.299 28.738 -0.106 0.000 0.907 178 Q HN 0.517 nan 8.270 nan 0.000 0.418 179 A N 0.754 122.862 122.820 -1.187 0.000 1.883 179 A HA -0.205 4.116 4.320 0.001 0.000 0.217 179 A C 2.037 179.304 177.584 -0.529 0.000 1.186 179 A CA 1.403 52.675 52.037 -1.274 0.000 0.624 179 A CB -0.701 17.854 19.000 -0.741 0.000 0.822 179 A HN 0.334 nan 8.150 nan 0.000 0.444 180 I N -0.024 120.346 120.570 -0.334 0.000 2.179 180 I HA -0.242 3.928 4.170 0.001 0.000 0.242 180 I C 1.809 177.849 176.117 -0.128 0.000 1.088 180 I CA 1.515 62.710 61.300 -0.176 0.000 1.357 180 I CB -0.499 37.430 38.000 -0.117 0.000 1.051 180 I HN 0.244 nan 8.210 nan 0.000 0.409 181 D N 0.428 120.746 120.400 -0.137 0.000 2.182 181 D HA -0.169 4.471 4.640 0.001 0.000 0.201 181 D C 2.311 178.578 176.300 -0.054 0.000 0.986 181 D CA 1.795 55.752 54.000 -0.072 0.000 0.847 181 D CB -0.295 40.471 40.800 -0.058 0.000 0.942 181 D HN 0.368 nan 8.370 nan 0.000 0.467 182 S N -0.576 115.068 115.700 -0.094 0.000 2.561 182 S HA -0.056 4.414 4.470 0.001 0.000 0.225 182 S C 1.085 175.695 174.600 0.016 0.000 0.977 182 S CA -0.300 57.902 58.200 0.002 0.000 0.926 182 S CB -0.537 62.722 63.200 0.099 0.000 0.769 182 S HN 0.131 nan 8.310 nan 0.000 0.533 183 c N 3.351 121.939 118.600 -0.020 0.000 2.590 183 c HA 0.250 4.821 4.570 0.001 0.000 0.411 183 c C 0.945 175.046 174.090 0.018 0.000 1.420 183 c CA -0.275 56.054 56.329 -0.000 0.000 1.643 183 c CB -0.855 41.646 42.510 -0.016 0.000 2.528 183 c HN 0.548 nan 8.230 nan 0.000 0.606 184 K N 4.131 124.546 120.400 0.026 0.000 2.098 184 K HA 0.303 4.624 4.320 0.001 0.000 0.257 184 K C -2.354 174.263 176.600 0.028 0.000 0.999 184 K CA -1.165 55.139 56.287 0.029 0.000 0.924 184 K CB 0.331 32.850 32.500 0.031 0.000 1.028 184 K HN 0.341 nan 8.250 nan 0.000 0.466 185 P HA -0.092 nan 4.420 nan 0.000 0.260 185 P C 0.339 177.657 177.300 0.031 0.000 1.172 185 P CA 1.138 64.258 63.100 0.034 0.000 0.760 185 P CB 0.325 32.047 31.700 0.037 0.000 0.773 186 G N 1.965 110.782 108.800 0.028 0.000 2.175 186 G HA2 -0.269 3.692 3.960 0.001 0.000 0.244 186 G HA3 -0.269 3.692 3.960 0.001 0.000 0.244 186 G C 0.394 175.304 174.900 0.018 0.000 0.982 186 G CA -0.164 44.950 45.100 0.023 0.000 0.641 186 G HN 0.865 nan 8.290 nan 0.000 0.527 187 c N 0.412 119.022 118.600 0.017 0.000 2.657 187 c HA 0.693 5.263 4.570 0.001 0.000 0.420 187 c C 0.951 175.043 174.090 0.003 0.000 1.323 187 c CA -0.744 55.593 56.329 0.013 0.000 1.894 187 c CB 0.372 42.889 42.510 0.011 0.000 2.681 187 c HN 0.717 nan 8.230 nan 0.000 0.613 188 R N 3.130 123.633 120.500 0.004 0.000 2.229 188 R HA 0.573 4.913 4.340 0.001 0.000 0.332 188 R C -1.067 175.226 176.300 -0.011 0.000 0.989 188 R CA -0.433 55.665 56.100 -0.004 0.000 0.842 188 R CB 0.850 31.151 30.300 0.003 0.000 1.119 188 R HN 0.820 nan 8.270 nan 0.000 0.456 189 V N 4.992 124.886 119.914 -0.032 0.000 2.461 189 V HA 0.193 4.313 4.120 0.001 0.000 0.275 189 V C 0.018 176.077 176.094 -0.057 0.000 1.047 189 V CA -0.286 61.984 62.300 -0.051 0.000 0.955 189 V CB 1.371 33.141 31.823 -0.087 0.000 0.988 189 V HN 0.750 nan 8.190 nan 0.000 0.471 190 E N 5.122 125.290 120.200 -0.052 0.000 2.158 190 E HA 0.499 4.849 4.350 0.001 0.000 0.271 190 E C -0.830 175.708 176.600 -0.103 0.000 0.911 190 E CA -0.458 55.908 56.400 -0.057 0.000 0.767 190 E CB 2.720 32.403 29.700 -0.027 0.000 1.120 190 E HN 0.522 nan 8.360 nan 0.000 0.405 191 I N 5.249 125.746 120.570 -0.123 0.000 2.328 191 I HA 0.222 4.393 4.170 0.001 0.000 0.287 191 I C -2.021 174.044 176.117 -0.086 0.000 1.012 191 I CA -1.985 59.197 61.300 -0.196 0.000 1.195 191 I CB 1.263 39.135 38.000 -0.213 0.000 1.350 191 I HN 0.114 nan 8.210 nan 0.000 0.464 192 P HA 0.187 nan 4.420 nan 0.000 0.279 192 P C -0.291 177.103 177.300 0.158 0.000 1.282 192 P CA -0.420 62.708 63.100 0.047 0.000 0.788 192 P CB 0.640 32.371 31.700 0.052 0.000 1.139 193 A N -0.555 122.339 122.820 0.123 0.000 2.609 193 A HA 0.409 4.729 4.320 0.001 0.000 0.232 193 A C 0.849 178.527 177.584 0.157 0.000 1.041 193 A CA 1.321 53.427 52.037 0.116 0.000 0.753 193 A CB -1.676 17.357 19.000 0.056 0.000 0.966 193 A HN 0.972 nan 8.150 nan 0.000 0.510 194 G N 0.232 109.063 108.800 0.052 0.000 2.406 194 G HA2 0.377 4.338 3.960 0.001 0.000 0.680 194 G HA3 0.377 4.338 3.960 0.001 0.000 0.680 194 G C -0.607 174.112 174.900 -0.301 0.000 1.338 194 G CA -0.344 44.650 45.100 -0.177 0.000 0.941 194 G HN 1.244 nan 8.290 nan 0.000 0.633 195 T N 1.255 115.533 114.554 -0.460 0.000 2.749 195 T HA 0.595 4.945 4.350 0.001 0.000 0.287 195 T C -0.971 173.405 174.700 -0.540 0.000 0.970 195 T CA 0.099 62.012 62.100 -0.312 0.000 0.980 195 T CB 0.647 69.412 68.868 -0.171 0.000 0.924 195 T HN 0.437 nan 8.240 nan 0.000 0.456 196 Y N 2.180 122.466 120.300 -0.023 0.000 2.388 196 Y HA 0.408 4.958 4.550 0.001 0.000 0.328 196 Y C 0.512 176.391 175.900 -0.034 0.000 0.963 196 Y CA -1.131 56.952 58.100 -0.027 0.000 1.240 196 Y CB 1.110 39.551 38.460 -0.032 0.000 1.118 196 Y HN 0.466 nan 8.280 nan 0.000 0.484 197 K N 2.109 122.547 120.400 0.063 0.000 2.350 197 K HA 0.507 4.828 4.320 0.001 0.000 0.279 197 K C -0.358 176.258 176.600 0.026 0.000 1.027 197 K CA 0.042 56.347 56.287 0.030 0.000 0.969 197 K CB 0.677 33.181 32.500 0.006 0.000 0.954 197 K HN 0.619 nan 8.250 nan 0.000 0.474 198 S N 1.908 117.600 115.700 -0.014 0.000 2.537 198 S HA 0.573 5.044 4.470 0.001 0.000 0.270 198 S C -0.533 173.972 174.600 -0.157 0.000 1.142 198 S CA -0.535 57.624 58.200 -0.068 0.000 0.870 198 S CB 1.342 64.502 63.200 -0.067 0.000 1.112 198 S HN 0.842 nan 8.310 nan 0.000 0.466 199 G N 1.352 109.996 108.800 -0.260 0.000 2.525 199 G HA2 0.622 4.582 3.960 0.001 0.000 0.287 199 G HA3 0.622 4.582 3.960 0.001 0.000 0.287 199 G C 0.252 174.834 174.900 -0.530 0.000 1.350 199 G CA -0.202 44.555 45.100 -0.572 0.000 1.039 199 G HN 1.307 nan 8.290 nan 0.000 0.513 200 A N -0.971 121.436 122.820 -0.687 0.000 2.584 200 A HA 0.369 4.690 4.320 0.001 0.000 0.239 200 A C 0.183 177.483 177.584 -0.473 0.000 1.043 200 A CA 0.513 52.264 52.037 -0.477 0.000 0.756 200 A CB -0.411 18.354 19.000 -0.391 0.000 0.963 200 A HN 0.515 nan 8.150 nan 0.000 0.511 201 L N 1.110 121.991 121.223 -0.569 0.000 2.322 201 L HA 0.622 4.962 4.340 0.001 0.000 0.269 201 L C -0.955 175.483 176.870 -0.719 0.000 1.012 201 L CA -0.601 53.969 54.840 -0.450 0.000 0.815 201 L CB 1.801 43.701 42.059 -0.265 0.000 1.295 201 L HN 0.843 nan 8.230 nan 0.000 0.438 202 W N 2.510 123.751 121.300 -0.097 0.000 2.475 202 W HA 0.612 5.272 4.660 0.001 0.000 0.320 202 W C -0.606 175.845 176.519 -0.113 0.000 1.022 202 W CA -0.287 57.003 57.345 -0.091 0.000 1.240 202 W CB 0.938 30.372 29.460 -0.043 0.000 1.328 202 W HN 0.151 nan 8.180 nan 0.000 0.439 203 L N 3.785 124.991 121.223 -0.029 0.000 2.469 203 L HA 0.593 4.934 4.340 0.001 0.000 0.253 203 L C 0.514 177.350 176.870 -0.057 0.000 1.143 203 L CA -0.953 53.833 54.840 -0.091 0.000 0.804 203 L CB 0.777 42.722 42.059 -0.191 0.000 1.214 203 L HN 0.418 nan 8.230 nan 0.000 0.476 204 K N -0.935 119.458 120.400 -0.012 0.000 2.466 204 K HA 0.510 4.831 4.320 0.001 0.000 0.260 204 K C -0.920 175.761 176.600 0.134 0.000 1.011 204 K CA -0.818 55.553 56.287 0.140 0.000 0.871 204 K CB 1.538 34.124 32.500 0.143 0.000 1.404 204 K HN 0.381 nan 8.250 nan 0.000 0.450 205 S N 1.062 116.924 115.700 0.269 0.000 2.569 205 S HA -0.006 4.465 4.470 0.001 0.000 0.274 205 S C -0.476 174.186 174.600 0.102 0.000 1.353 205 S CA 0.375 58.694 58.200 0.198 0.000 1.023 205 S CB -0.196 63.120 63.200 0.193 0.000 0.876 205 S HN 0.817 nan 8.310 nan 0.000 0.540 206 D N 0.571 121.020 120.400 0.082 0.000 2.746 206 D HA -0.166 4.475 4.640 0.001 0.000 0.241 206 D C -0.357 175.964 176.300 0.035 0.000 1.140 206 D CA 1.111 55.144 54.000 0.055 0.000 0.707 206 D CB -1.254 39.580 40.800 0.056 0.000 1.034 206 D HN 0.626 nan 8.370 nan 0.000 0.423 207 M N -3.309 116.305 119.600 0.022 0.000 2.682 207 M HA 0.559 5.039 4.480 0.001 0.000 0.272 207 M C -1.265 175.032 176.300 -0.006 0.000 1.232 207 M CA -0.738 54.564 55.300 0.003 0.000 0.849 207 M CB 2.507 35.103 32.600 -0.006 0.000 1.695 207 M HN -0.231 nan 8.290 nan 0.000 0.481 208 T N 2.338 116.884 114.554 -0.013 0.000 2.824 208 T HA 0.651 5.002 4.350 0.001 0.000 0.282 208 T C -1.499 173.180 174.700 -0.036 0.000 0.993 208 T CA -0.574 61.519 62.100 -0.012 0.000 0.967 208 T CB 1.624 70.492 68.868 0.001 0.000 0.960 208 T HN 0.642 nan 8.240 nan 0.000 0.441 209 L N 4.142 125.331 121.223 -0.056 0.000 2.265 209 L HA 0.608 4.949 4.340 0.001 0.000 0.289 209 L C -0.392 176.433 176.870 -0.074 0.000 1.033 209 L CA -0.459 54.328 54.840 -0.088 0.000 0.814 209 L CB 0.615 42.592 42.059 -0.137 0.000 1.203 209 L HN 0.518 nan 8.230 nan 0.000 0.423 210 N N 4.416 123.081 118.700 -0.059 0.000 2.425 210 N HA 0.455 5.195 4.740 0.001 0.000 0.268 210 N C -1.424 174.055 175.510 -0.052 0.000 0.991 210 N CA -0.277 52.751 53.050 -0.036 0.000 0.931 210 N CB 0.838 39.318 38.487 -0.012 0.000 1.130 210 N HN 0.614 nan 8.380 nan 0.000 0.493 211 L N 3.086 124.281 121.223 -0.046 0.000 2.259 211 L HA 0.345 4.685 4.340 0.001 0.000 0.288 211 L C 0.722 177.590 176.870 -0.003 0.000 1.051 211 L CA -0.456 54.358 54.840 -0.043 0.000 0.824 211 L CB 0.815 42.831 42.059 -0.073 0.000 1.206 211 L HN 0.428 nan 8.230 nan 0.000 0.429 212 Q N 1.772 121.573 119.800 0.002 0.000 2.443 212 Q HA 0.440 4.780 4.340 0.001 0.000 0.232 212 Q C 0.368 176.380 176.000 0.021 0.000 1.026 212 Q CA -0.587 55.224 55.803 0.014 0.000 0.924 212 Q CB 0.941 29.689 28.738 0.017 0.000 1.256 212 Q HN 0.738 nan 8.270 nan 0.000 0.519 213 A N 0.628 123.459 122.820 0.017 0.000 2.580 213 A HA 0.298 4.619 4.320 0.001 0.000 0.244 213 A C 1.186 178.781 177.584 0.019 0.000 1.045 213 A CA 0.907 52.951 52.037 0.011 0.000 0.761 213 A CB -0.887 18.116 19.000 0.005 0.000 0.962 213 A HN 0.982 nan 8.150 nan 0.000 0.512 214 G N 1.046 109.856 108.800 0.015 0.000 2.225 214 G HA2 0.119 4.079 3.960 0.001 0.000 0.254 214 G HA3 0.119 4.079 3.960 0.001 0.000 0.254 214 G C 0.626 175.549 174.900 0.039 0.000 0.988 214 G CA 0.508 45.619 45.100 0.019 0.000 0.625 214 G HN 2.295 nan 8.290 nan 0.000 0.527 215 A N 0.236 123.090 122.820 0.058 0.000 2.450 215 A HA 0.682 5.002 4.320 0.001 0.000 0.255 215 A C 0.209 177.835 177.584 0.071 0.000 1.096 215 A CA 0.251 52.350 52.037 0.103 0.000 0.778 215 A CB 0.181 19.234 19.000 0.089 0.000 1.031 215 A HN 0.836 nan 8.150 nan 0.000 0.494 216 I N 3.217 123.840 120.570 0.089 0.000 2.411 216 I HA 0.174 4.344 4.170 0.001 0.000 0.284 216 I C -0.701 175.468 176.117 0.087 0.000 1.012 216 I CA -0.630 60.701 61.300 0.052 0.000 1.119 216 I CB 1.661 39.671 38.000 0.016 0.000 1.261 216 I HN 0.548 nan 8.210 nan 0.000 0.448 217 L N 7.817 129.066 121.223 0.043 0.000 2.342 217 L HA 0.346 4.686 4.340 0.001 0.000 0.285 217 L C -0.751 176.122 176.870 0.005 0.000 1.095 217 L CA -0.044 54.811 54.840 0.025 0.000 0.843 217 L CB 0.628 42.655 42.059 -0.054 0.000 1.201 217 L HN 0.471 nan 8.230 nan 0.000 0.445 218 L N 5.329 126.566 121.223 0.023 0.000 2.282 218 L HA 0.668 5.009 4.340 0.001 0.000 0.288 218 L C 0.618 177.499 176.870 0.018 0.000 1.033 218 L CA -0.057 54.791 54.840 0.013 0.000 0.807 218 L CB 1.295 43.360 42.059 0.009 0.000 1.209 218 L HN 0.650 nan 8.230 nan 0.000 0.423 219 G N 2.909 111.727 108.800 0.030 0.000 2.340 219 G HA2 0.169 4.130 3.960 0.001 0.000 0.245 219 G HA3 0.169 4.130 3.960 0.001 0.000 0.245 219 G C 0.067 175.026 174.900 0.098 0.000 1.294 219 G CA -0.035 45.124 45.100 0.099 0.000 0.896 219 G HN 0.788 nan 8.290 nan 0.000 0.522 220 S N 0.724 116.492 115.700 0.113 0.000 2.558 220 S HA 0.004 4.475 4.470 0.001 0.000 0.288 220 S C 1.584 176.295 174.600 0.185 0.000 1.318 220 S CA 0.190 58.451 58.200 0.101 0.000 1.056 220 S CB 0.611 63.816 63.200 0.008 0.000 0.853 220 S HN 0.751 nan 8.310 nan 0.000 0.505 221 E N 3.307 123.557 120.200 0.083 0.000 2.489 221 E HA -0.021 4.329 4.350 0.001 0.000 0.193 221 E C -0.002 176.627 176.600 0.049 0.000 1.057 221 E CA 0.092 56.511 56.400 0.032 0.000 0.866 221 E CB -0.454 29.240 29.700 -0.010 0.000 0.916 221 E HN 0.481 nan 8.360 nan 0.000 0.500 222 N N 2.406 121.167 118.700 0.102 0.000 2.408 222 N HA 0.128 4.868 4.740 0.001 0.000 0.257 222 N C -1.977 173.631 175.510 0.165 0.000 1.064 222 N CA -2.325 50.776 53.050 0.085 0.000 0.952 222 N CB 1.584 40.102 38.487 0.051 0.000 1.093 222 N HN -0.227 nan 8.380 nan 0.000 0.490 223 P HA -0.096 nan 4.420 nan 0.000 0.218 223 P C 0.234 177.629 177.300 0.159 0.000 1.146 223 P CA 1.050 64.220 63.100 0.117 0.000 0.813 223 P CB 0.368 32.079 31.700 0.018 0.000 0.778 224 D N -0.983 119.475 120.400 0.095 0.000 2.310 224 D HA -0.102 4.538 4.640 0.001 0.000 0.212 224 D C 1.072 177.396 176.300 0.039 0.000 0.965 224 D CA 0.923 54.959 54.000 0.060 0.000 0.879 224 D CB -0.518 40.299 40.800 0.029 0.000 0.921 224 D HN 0.206 nan 8.370 nan 0.000 0.510 225 D N -0.609 119.797 120.400 0.010 0.000 2.349 225 D HA -0.064 4.576 4.640 0.001 0.000 0.224 225 D C -0.155 175.902 176.300 -0.405 0.000 1.029 225 D CA 0.329 54.207 54.000 -0.204 0.000 0.879 225 D CB 0.052 40.663 40.800 -0.314 0.000 0.906 225 D HN 0.358 nan 8.370 nan 0.000 0.528 226 Y N 0.924 121.233 120.300 0.015 0.000 2.805 226 Y HA 0.287 4.837 4.550 0.001 0.000 0.339 226 Y C -1.997 173.945 175.900 0.070 0.000 1.012 226 Y CA -2.177 55.939 58.100 0.026 0.000 1.262 226 Y CB 1.290 39.735 38.460 -0.025 0.000 1.100 226 Y HN -0.133 nan 8.280 nan 0.000 0.559 227 P HA 0.201 nan 4.420 nan 0.000 0.289 227 P C -0.110 177.325 177.300 0.225 0.000 1.299 227 P CA -0.542 62.673 63.100 0.193 0.000 0.766 227 P CB 0.735 32.539 31.700 0.174 0.000 1.226 228 A N -0.180 122.732 122.820 0.153 0.000 2.567 228 A HA 0.345 4.666 4.320 0.001 0.000 0.240 228 A C 1.352 179.086 177.584 0.249 0.000 1.053 228 A CA 0.828 52.947 52.037 0.136 0.000 0.755 228 A CB -0.993 18.050 19.000 0.072 0.000 0.978 228 A HN 0.680 nan 8.150 nan 0.000 0.507 229 G N 0.857 109.809 108.800 0.253 0.000 2.797 229 G HA2 0.469 4.429 3.960 0.001 0.000 0.211 229 G HA3 0.469 4.429 3.960 0.001 0.000 0.211 229 G C 0.023 175.176 174.900 0.422 0.000 1.236 229 G CA 0.742 46.101 45.100 0.432 0.000 0.833 229 G HN 1.431 nan 8.290 nan 0.000 0.624 230 Y N -1.346 119.019 120.300 0.109 0.000 2.702 230 Y HA 0.761 5.312 4.550 0.001 0.000 0.336 230 Y C -1.156 174.765 175.900 0.036 0.000 1.203 230 Y CA -1.749 56.396 58.100 0.074 0.000 1.072 230 Y CB 0.841 39.346 38.460 0.075 0.000 1.327 230 Y HN 0.051 nan 8.280 nan 0.000 0.456 231 R N 1.937 122.423 120.500 -0.024 0.000 2.460 231 R HA 0.403 4.744 4.340 0.001 0.000 0.303 231 R C 0.380 176.709 176.300 0.047 0.000 0.968 231 R CA -0.915 55.117 56.100 -0.112 0.000 0.889 231 R CB 2.061 32.338 30.300 -0.038 0.000 1.123 231 R HN 0.807 nan 8.270 nan 0.000 0.455 232 L N 2.603 123.785 121.223 -0.069 0.000 1.989 232 L HA -0.097 4.243 4.340 0.001 0.000 0.211 232 L C -0.226 176.408 176.870 -0.393 0.000 1.071 232 L CA 1.946 56.714 54.840 -0.121 0.000 0.749 232 L CB -0.103 41.756 42.059 -0.334 0.000 0.890 232 L HN 0.457 nan 8.230 nan 0.000 0.431 233 Y N -1.961 118.249 120.300 -0.149 0.000 2.598 233 Y HA 0.395 4.946 4.550 0.001 0.000 0.340 233 Y C -1.492 174.161 175.900 -0.411 0.000 1.038 233 Y CA -2.636 55.208 58.100 -0.428 0.000 1.100 233 Y CB -0.162 37.663 38.460 -1.060 0.000 1.281 233 Y HN -0.188 nan 8.280 nan 0.000 0.488 234 P HA -0.172 nan 4.420 nan 0.000 0.219 234 P C 0.283 177.604 177.300 0.035 0.000 1.146 234 P CA 1.763 64.858 63.100 -0.009 0.000 0.808 234 P CB -0.093 31.674 31.700 0.112 0.000 0.779 235 Y N -3.784 116.602 120.300 0.144 0.000 2.468 235 Y HA 0.461 5.012 4.550 0.001 0.000 0.268 235 Y C 0.540 176.517 175.900 0.129 0.000 1.177 235 Y CA -0.827 57.340 58.100 0.112 0.000 1.265 235 Y CB -0.931 37.580 38.460 0.085 0.000 1.103 235 Y HN -0.312 nan 8.280 nan 0.000 0.522 236 S N 1.248 116.953 115.700 0.007 0.000 2.564 236 S HA 0.127 4.597 4.470 0.001 0.000 0.278 236 S C 1.255 175.890 174.600 0.058 0.000 1.333 236 S CA 0.325 58.563 58.200 0.063 0.000 1.048 236 S CB 1.003 64.195 63.200 -0.014 0.000 0.900 236 S HN 0.635 nan 8.310 nan 0.000 0.505 237 T N -0.397 114.197 114.554 0.066 0.000 3.015 237 T HA 0.325 4.675 4.350 0.001 0.000 0.250 237 T C 0.435 175.143 174.700 0.013 0.000 1.057 237 T CA 0.067 62.194 62.100 0.046 0.000 1.066 237 T CB -0.225 68.678 68.868 0.059 0.000 0.959 237 T HN 0.475 nan 8.240 nan 0.000 0.488 238 I N 2.424 122.992 120.570 -0.003 0.000 2.331 238 I HA 0.440 4.611 4.170 0.001 0.000 0.292 238 I C -0.025 176.041 176.117 -0.085 0.000 0.998 238 I CA -0.958 60.320 61.300 -0.035 0.000 1.267 238 I CB 1.479 39.458 38.000 -0.034 0.000 1.386 238 I HN 0.088 nan 8.210 nan 0.000 0.476 239 E N 6.823 126.971 120.200 -0.086 0.000 2.316 239 E HA 0.246 4.596 4.350 0.001 0.000 0.275 239 E C -0.651 175.840 176.600 -0.180 0.000 1.029 239 E CA -0.176 56.149 56.400 -0.125 0.000 0.871 239 E CB 0.736 30.398 29.700 -0.062 0.000 1.022 239 E HN 0.378 nan 8.360 nan 0.000 0.418 240 R N 4.942 125.251 120.500 -0.319 0.000 2.598 240 R HA 0.429 4.769 4.340 0.001 0.000 0.279 240 R C -2.004 174.198 176.300 -0.164 0.000 0.984 240 R CA -2.003 53.898 56.100 -0.331 0.000 0.999 240 R CB 0.984 30.914 30.300 -0.617 0.000 1.114 240 R HN 0.563 nan 8.270 nan 0.000 0.493 241 P HA 0.052 nan 4.420 nan 0.000 0.274 241 P C -0.781 176.611 177.300 0.154 0.000 1.256 241 P CA -0.266 62.861 63.100 0.045 0.000 0.795 241 P CB 0.560 32.262 31.700 0.003 0.000 1.038 242 A N 1.599 124.554 122.820 0.225 0.000 2.466 242 A HA 0.289 4.610 4.320 0.001 0.000 0.238 242 A C 0.746 178.409 177.584 0.133 0.000 1.074 242 A CA 0.212 52.352 52.037 0.171 0.000 0.774 242 A CB -0.623 18.429 19.000 0.087 0.000 1.015 242 A HN 0.538 nan 8.150 nan 0.000 0.498 243 S N -0.499 115.206 115.700 0.009 0.000 2.713 243 S HA 0.322 4.792 4.470 0.001 0.000 0.277 243 S C 1.322 175.922 174.600 0.000 0.000 1.168 243 S CA -0.315 57.885 58.200 0.000 0.000 0.994 243 S CB 0.813 63.974 63.200 -0.065 0.000 1.054 243 S HN 0.743 nan 8.310 nan 0.000 0.555 244 L N 0.943 122.177 121.223 0.019 0.000 2.056 244 L HA 0.302 4.642 4.340 0.001 0.000 0.207 244 L C 0.024 176.773 176.870 -0.201 0.000 1.078 244 L CA 1.844 56.686 54.840 0.003 0.000 0.749 244 L CB -0.265 41.809 42.059 0.026 0.000 0.901 244 L HN 0.540 nan 8.230 nan 0.000 0.433 245 I N 0.647 121.080 120.570 -0.229 0.000 2.465 245 I HA 0.304 4.474 4.170 0.001 0.000 0.291 245 I C -0.786 175.131 176.117 -0.334 0.000 1.014 245 I CA -0.491 60.628 61.300 -0.302 0.000 1.093 245 I CB 1.462 39.297 38.000 -0.274 0.000 1.267 245 I HN 0.067 nan 8.210 nan 0.000 0.431 246 N N 4.822 123.267 118.700 -0.426 0.000 2.225 246 N HA 0.658 5.399 4.740 0.001 0.000 0.298 246 N C -1.153 174.179 175.510 -0.296 0.000 1.076 246 N CA -0.640 52.170 53.050 -0.399 0.000 0.792 246 N CB 2.704 40.781 38.487 -0.683 0.000 1.498 246 N HN 0.607 nan 8.380 nan 0.000 0.474 247 A N 2.647 125.289 122.820 -0.296 0.000 2.586 247 A HA 0.609 4.930 4.320 0.001 0.000 0.320 247 A C -0.585 176.855 177.584 -0.239 0.000 1.281 247 A CA -0.480 51.225 52.037 -0.553 0.000 0.775 247 A CB -0.246 18.305 19.000 -0.748 0.000 1.122 247 A HN 0.626 nan 8.150 nan 0.000 0.470 248 I N 1.693 122.359 120.570 0.160 0.000 2.529 248 I HA 0.180 4.351 4.170 0.001 0.000 0.284 248 I C -1.087 175.336 176.117 0.510 0.000 1.088 248 I CA -0.510 61.022 61.300 0.387 0.000 1.062 248 I CB 2.123 40.352 38.000 0.381 0.000 1.218 248 I HN 0.627 nan 8.210 nan 0.000 0.442 249 D N 8.615 129.291 120.400 0.460 0.000 2.308 249 D HA 0.258 4.899 4.640 0.001 0.000 0.251 249 D C -1.198 175.177 176.300 0.126 0.000 1.127 249 D CA -1.609 52.515 54.000 0.206 0.000 0.876 249 D CB 1.539 42.324 40.800 -0.026 0.000 1.176 249 D HN 0.259 nan 8.370 nan 0.000 0.446 250 P HA -0.170 nan 4.420 nan 0.000 0.218 250 P C 0.159 177.483 177.300 0.040 0.000 1.146 250 P CA 1.233 64.351 63.100 0.029 0.000 0.813 250 P CB 0.326 32.004 31.700 -0.037 0.000 0.778 251 N N -1.468 117.248 118.700 0.027 0.000 2.460 251 N HA 0.045 4.785 4.740 0.001 0.000 0.193 251 N C 0.197 175.729 175.510 0.037 0.000 1.080 251 N CA 0.223 53.289 53.050 0.026 0.000 0.869 251 N CB 0.086 38.576 38.487 0.005 0.000 1.201 251 N HN 0.143 nan 8.380 nan 0.000 0.457 252 N N 0.259 118.978 118.700 0.031 0.000 2.314 252 N HA 0.181 4.921 4.740 0.001 0.000 0.294 252 N C 0.283 175.821 175.510 0.046 0.000 1.029 252 N CA -0.186 52.877 53.050 0.022 0.000 0.845 252 N CB 2.005 40.480 38.487 -0.021 0.000 1.321 252 N HN 0.005 nan 8.380 nan 0.000 0.481 253 S N -0.063 115.671 115.700 0.056 0.000 2.523 253 S HA 0.131 4.602 4.470 0.001 0.000 0.217 253 S C 0.621 175.256 174.600 0.058 0.000 0.996 253 S CA -0.194 58.050 58.200 0.075 0.000 0.921 253 S CB 0.480 63.733 63.200 0.088 0.000 0.829 253 S HN 0.339 nan 8.310 nan 0.000 0.495 254 K N 3.121 123.539 120.400 0.030 0.000 2.451 254 K HA 0.167 4.488 4.320 0.001 0.000 0.280 254 K C -2.713 173.871 176.600 -0.027 0.000 1.020 254 K CA -1.760 54.533 56.287 0.010 0.000 1.008 254 K CB 0.215 32.716 32.500 0.001 0.000 0.917 254 K HN 0.119 nan 8.250 nan 0.000 0.478 255 P HA -0.073 nan 4.420 nan 0.000 0.261 255 P C 0.340 177.549 177.300 -0.151 0.000 1.183 255 P CA 0.807 63.778 63.100 -0.216 0.000 0.761 255 P CB 0.484 31.790 31.700 -0.658 0.000 0.785 256 G N 2.227 110.982 108.800 -0.076 0.000 2.176 256 G HA2 -0.280 3.680 3.960 0.001 0.000 0.232 256 G HA3 -0.280 3.680 3.960 0.001 0.000 0.232 256 G C 1.144 176.011 174.900 -0.056 0.000 0.986 256 G CA 0.423 45.503 45.100 -0.034 0.000 0.643 256 G HN 0.435 nan 8.290 nan 0.000 0.522 257 T N 0.147 114.644 114.554 -0.095 0.000 2.720 257 T HA 0.134 4.484 4.350 0.001 0.000 0.268 257 T C 0.825 175.237 174.700 -0.480 0.000 1.037 257 T CA 1.628 63.561 62.100 -0.277 0.000 1.144 257 T CB -0.109 68.578 68.868 -0.302 0.000 0.864 257 T HN 0.392 nan 8.240 nan 0.000 0.444 258 F N 0.336 120.294 119.950 0.014 0.000 2.598 258 F HA 0.642 5.170 4.527 0.001 0.000 0.327 258 F C 0.305 176.120 175.800 0.024 0.000 1.057 258 F CA -1.491 56.522 58.000 0.022 0.000 0.957 258 F CB 1.599 40.616 39.000 0.028 0.000 1.278 258 F HN -0.119 nan 8.300 nan 0.000 0.484 259 R N -0.046 120.605 120.500 0.251 0.000 2.739 259 R HA 0.497 4.837 4.340 0.001 0.000 0.271 259 R C -1.405 174.978 176.300 0.138 0.000 1.010 259 R CA -1.040 55.157 56.100 0.162 0.000 0.897 259 R CB 1.191 31.558 30.300 0.112 0.000 1.236 259 R HN 0.626 nan 8.270 nan 0.000 0.466 260 N N 0.799 119.568 118.700 0.115 0.000 2.671 260 N HA -0.164 4.577 4.740 0.001 0.000 0.261 260 N C -0.943 174.610 175.510 0.071 0.000 1.053 260 N CA 1.008 54.111 53.050 0.089 0.000 0.732 260 N CB -1.062 37.470 38.487 0.075 0.000 0.887 260 N HN 0.563 nan 8.380 nan 0.000 0.546 261 I N 0.901 121.513 120.570 0.069 0.000 2.336 261 I HA 0.302 4.473 4.170 0.001 0.000 0.292 261 I C 0.605 176.754 176.117 0.053 0.000 0.991 261 I CA -0.476 60.843 61.300 0.031 0.000 1.227 261 I CB 1.293 39.279 38.000 -0.024 0.000 1.366 261 I HN -0.093 nan 8.210 nan 0.000 0.466 262 R N 6.841 127.367 120.500 0.043 0.000 2.534 262 R HA 0.723 5.063 4.340 0.001 0.000 0.301 262 R C -1.207 175.114 176.300 0.035 0.000 0.961 262 R CA -0.690 55.462 56.100 0.087 0.000 0.871 262 R CB 2.473 32.841 30.300 0.114 0.000 1.170 262 R HN 0.537 nan 8.270 nan 0.000 0.446 263 I N 2.286 122.881 120.570 0.041 0.000 2.447 263 I HA 0.397 4.567 4.170 0.001 0.000 0.287 263 I C 0.002 176.194 176.117 0.124 0.000 1.023 263 I CA -0.529 60.778 61.300 0.010 0.000 1.083 263 I CB 2.196 40.141 38.000 -0.093 0.000 1.245 263 I HN 0.724 nan 8.210 nan 0.000 0.434 264 T N 1.555 116.166 114.554 0.094 0.000 2.778 264 T HA 0.934 5.284 4.350 0.001 0.000 0.293 264 T C -0.106 174.660 174.700 0.110 0.000 1.144 264 T CA -0.451 61.714 62.100 0.109 0.000 1.010 264 T CB 1.880 70.799 68.868 0.085 0.000 1.325 264 T HN 1.327 nan 8.240 nan 0.000 0.515 265 G N 0.136 108.979 108.800 0.072 0.000 2.662 265 G HA2 0.148 4.108 3.960 0.001 0.000 0.686 265 G HA3 0.148 4.108 3.960 0.001 0.000 0.686 265 G C 0.389 175.322 174.900 0.054 0.000 1.271 265 G CA 0.382 45.512 45.100 0.050 0.000 0.816 265 G HN 2.014 nan 8.290 nan 0.000 0.608 266 S N -0.183 115.533 115.700 0.026 0.000 2.575 266 S HA 0.501 4.971 4.470 0.001 0.000 0.215 266 S C 1.476 176.086 174.600 0.018 0.000 0.966 266 S CA 1.024 59.228 58.200 0.007 0.000 0.911 266 S CB 0.190 63.383 63.200 -0.013 0.000 0.780 266 S HN 2.074 nan 8.310 nan 0.000 0.514 267 G N 0.895 109.715 108.800 0.033 0.000 2.683 267 G HA2 0.474 4.435 3.960 0.001 0.000 0.260 267 G HA3 0.474 4.435 3.960 0.001 0.000 0.260 267 G C -0.715 174.208 174.900 0.040 0.000 1.238 267 G CA -0.405 44.711 45.100 0.027 0.000 0.934 267 G HN 0.338 nan 8.290 nan 0.000 0.534 268 V N 0.258 120.185 119.914 0.021 0.000 2.513 268 V HA 0.395 4.515 4.120 0.001 0.000 0.299 268 V C -0.075 176.011 176.094 -0.014 0.000 1.035 268 V CA -0.460 61.854 62.300 0.023 0.000 0.889 268 V CB 1.620 33.458 31.823 0.024 0.000 0.988 268 V HN 0.518 nan 8.190 nan 0.000 0.440 269 I N 3.870 124.422 120.570 -0.030 0.000 2.330 269 I HA 0.410 4.580 4.170 0.001 0.000 0.289 269 I C -0.619 175.477 176.117 -0.034 0.000 1.001 269 I CA -0.132 61.121 61.300 -0.079 0.000 1.193 269 I CB 1.349 39.236 38.000 -0.189 0.000 1.345 269 I HN 0.512 nan 8.210 nan 0.000 0.461 270 D N 4.889 125.273 120.400 -0.027 0.000 2.425 270 D HA 0.288 4.928 4.640 0.001 0.000 0.240 270 D C 0.838 177.116 176.300 -0.037 0.000 1.080 270 D CA -0.436 53.552 54.000 -0.020 0.000 0.836 270 D CB 2.258 43.063 40.800 0.009 0.000 1.125 270 D HN 0.675 nan 8.370 nan 0.000 0.525 271 G N 2.869 111.630 108.800 -0.065 0.000 2.813 271 G HA2 -0.148 3.812 3.960 0.001 0.000 0.209 271 G HA3 -0.148 3.812 3.960 0.001 0.000 0.209 271 G C 0.950 175.792 174.900 -0.097 0.000 1.150 271 G CA -0.198 44.858 45.100 -0.074 0.000 0.785 271 G HN 0.661 nan 8.290 nan 0.000 0.535 272 N N -0.688 117.959 118.700 -0.089 0.000 2.754 272 N HA -0.153 4.587 4.740 0.001 0.000 0.248 272 N C 1.456 176.862 175.510 -0.175 0.000 1.093 272 N CA 1.098 54.098 53.050 -0.083 0.000 0.699 272 N CB -1.313 37.151 38.487 -0.039 0.000 1.016 272 N HN 0.344 nan 8.380 nan 0.000 0.552 273 G N -2.240 106.410 108.800 -0.249 0.000 2.426 273 G HA2 0.146 4.106 3.960 0.001 0.000 0.214 273 G HA3 0.146 4.106 3.960 0.001 0.000 0.214 273 G C 0.167 174.593 174.900 -0.789 0.000 1.156 273 G CA 0.617 45.380 45.100 -0.563 0.000 0.802 273 G HN 0.353 nan 8.290 nan 0.000 0.534 274 W N -1.072 120.189 121.300 -0.065 0.000 3.083 274 W HA 0.648 5.309 4.660 0.001 0.000 0.333 274 W C -0.364 176.214 176.519 0.098 0.000 1.217 274 W CA -1.122 56.233 57.345 0.016 0.000 1.170 274 W CB 1.023 30.504 29.460 0.035 0.000 1.437 274 W HN -0.194 nan 8.180 nan 0.000 0.557 275 L N 2.680 124.122 121.223 0.364 0.000 2.466 275 L HA 0.389 4.729 4.340 0.001 0.000 0.257 275 L C 1.078 178.119 176.870 0.285 0.000 1.189 275 L CA -0.829 54.164 54.840 0.254 0.000 0.813 275 L CB 0.097 42.254 42.059 0.162 0.000 1.118 275 L HN 0.263 nan 8.230 nan 0.000 0.471 276 R N 0.875 121.474 120.500 0.165 0.000 2.738 276 R HA 0.313 4.653 4.340 0.001 0.000 0.268 276 R C -0.066 176.249 176.300 0.025 0.000 1.062 276 R CA -0.215 55.909 56.100 0.041 0.000 1.158 276 R CB 0.216 30.502 30.300 -0.022 0.000 1.046 276 R HN 0.725 nan 8.270 nan 0.000 0.493 277 A N 1.372 124.174 122.820 -0.030 0.000 2.327 277 A HA 0.075 4.395 4.320 0.001 0.000 0.255 277 A C 1.507 179.085 177.584 -0.010 0.000 1.099 277 A CA -0.048 51.977 52.037 -0.021 0.000 0.801 277 A CB 0.245 19.224 19.000 -0.036 0.000 1.062 277 A HN 0.793 nan 8.150 nan 0.000 0.496 278 K N -0.457 119.941 120.400 -0.004 0.000 2.059 278 K HA -0.139 4.182 4.320 0.001 0.000 0.212 278 K C 0.030 176.629 176.600 -0.001 0.000 1.050 278 K CA 1.904 58.191 56.287 -0.000 0.000 0.927 278 K CB -0.348 32.153 32.500 0.001 0.000 0.714 278 K HN 0.689 nan 8.250 nan 0.000 0.447 279 T N 0.880 115.435 114.554 0.001 0.000 2.794 279 T HA 0.330 4.680 4.350 0.001 0.000 0.304 279 T C 0.439 175.131 174.700 -0.012 0.000 0.973 279 T CA -0.071 62.030 62.100 0.001 0.000 0.972 279 T CB 1.502 70.378 68.868 0.013 0.000 0.952 279 T HN 0.284 nan 8.240 nan 0.000 0.509 280 A N 2.642 125.447 122.820 -0.025 0.000 2.067 280 A HA 0.123 4.443 4.320 0.001 0.000 0.217 280 A C 1.019 178.556 177.584 -0.080 0.000 1.156 280 A CA 0.622 52.626 52.037 -0.055 0.000 0.683 280 A CB 0.178 19.155 19.000 -0.038 0.000 0.808 280 A HN 0.638 nan 8.150 nan 0.000 0.455 281 E N 0.016 120.190 120.200 -0.042 0.000 2.352 281 E HA 0.516 4.867 4.350 0.001 0.000 0.280 281 E C -1.616 174.981 176.600 -0.006 0.000 0.930 281 E CA -0.620 55.760 56.400 -0.034 0.000 0.765 281 E CB 1.648 31.330 29.700 -0.029 0.000 1.219 281 E HN 0.401 nan 8.360 nan 0.000 0.434 282 I N -0.816 119.759 120.570 0.008 0.000 2.957 282 I HA 0.602 4.773 4.170 0.001 0.000 0.310 282 I C -0.255 175.879 176.117 0.028 0.000 1.063 282 I CA -0.808 60.506 61.300 0.023 0.000 1.033 282 I CB 2.280 40.302 38.000 0.036 0.000 1.230 282 I HN 0.168 nan 8.210 nan 0.000 0.447 283 T N 2.683 117.256 114.554 0.031 0.000 2.749 283 T HA 0.298 4.648 4.350 0.001 0.000 0.287 283 T C -0.433 174.304 174.700 0.061 0.000 0.970 283 T CA -0.340 61.779 62.100 0.032 0.000 0.980 283 T CB 0.625 69.503 68.868 0.017 0.000 0.924 283 T HN 0.815 nan 8.240 nan 0.000 0.456 284 D N 1.992 122.443 120.400 0.086 0.000 2.447 284 D HA 0.055 4.695 4.640 0.001 0.000 0.265 284 D C 1.459 177.836 176.300 0.129 0.000 1.250 284 D CA -0.647 53.448 54.000 0.159 0.000 1.046 284 D CB 0.586 41.542 40.800 0.261 0.000 1.095 284 D HN 0.464 nan 8.370 nan 0.000 0.555 285 E N -0.549 119.773 120.200 0.204 0.000 2.333 285 E HA -0.159 4.191 4.350 0.001 0.000 0.198 285 E C 1.355 177.781 176.600 -0.289 0.000 1.007 285 E CA 0.637 57.083 56.400 0.076 0.000 0.845 285 E CB -0.309 29.532 29.700 0.236 0.000 0.766 285 E HN 0.316 nan 8.360 nan 0.000 0.507 286 L N 0.189 121.253 121.223 -0.265 0.000 2.607 286 L HA 0.303 4.643 4.340 0.001 0.000 0.228 286 L C 1.370 178.102 176.870 -0.230 0.000 1.123 286 L CA 0.966 55.550 54.840 -0.426 0.000 0.890 286 L CB 0.189 41.870 42.059 -0.630 0.000 1.103 286 L HN 0.365 nan 8.230 nan 0.000 0.468 287 G N 0.129 108.859 108.800 -0.117 0.000 2.143 287 G HA2 -0.301 3.659 3.960 0.001 0.000 0.248 287 G HA3 -0.301 3.659 3.960 0.001 0.000 0.248 287 G C 0.568 175.433 174.900 -0.057 0.000 0.991 287 G CA 0.084 45.142 45.100 -0.070 0.000 0.689 287 G HN 0.372 nan 8.290 nan 0.000 0.522 288 R N 0.269 120.741 120.500 -0.045 0.000 2.536 288 R HA 0.611 4.951 4.340 0.001 0.000 0.279 288 R C 0.694 176.993 176.300 -0.001 0.000 1.001 288 R CA 0.090 56.170 56.100 -0.034 0.000 1.027 288 R CB 1.251 31.524 30.300 -0.046 0.000 1.096 288 R HN 0.476 nan 8.270 nan 0.000 0.502 289 S N 2.279 117.971 115.700 -0.014 0.000 2.537 289 S HA 0.369 4.839 4.470 0.001 0.000 0.275 289 S C -0.045 174.559 174.600 0.006 0.000 1.272 289 S CA -0.776 57.423 58.200 -0.001 0.000 1.050 289 S CB 0.575 63.769 63.200 -0.010 0.000 0.961 289 S HN 0.391 nan 8.310 nan 0.000 0.496 290 L N 4.181 125.422 121.223 0.029 0.000 2.329 290 L HA 0.562 4.902 4.340 0.001 0.000 0.279 290 L C -2.132 174.744 176.870 0.011 0.000 1.014 290 L CA -2.638 52.231 54.840 0.047 0.000 0.814 290 L CB 2.209 44.332 42.059 0.107 0.000 1.257 290 L HN 0.544 nan 8.230 nan 0.000 0.424 291 P HA 0.098 nan 4.420 nan 0.000 0.274 291 P C -1.550 175.607 177.300 -0.238 0.000 1.231 291 P CA -0.441 62.558 63.100 -0.169 0.000 0.790 291 P CB 0.955 32.545 31.700 -0.183 0.000 0.951 292 Q N 1.910 121.482 119.800 -0.378 0.000 2.309 292 Q HA 0.332 4.672 4.340 0.001 0.000 0.270 292 Q C -0.944 174.782 176.000 -0.456 0.000 1.023 292 Q CA -0.505 55.150 55.803 -0.247 0.000 0.758 292 Q CB 1.426 30.145 28.738 -0.032 0.000 1.247 292 Q HN 0.454 nan 8.270 nan 0.000 0.455 293 Y N -0.006 120.294 120.300 -0.000 0.000 2.323 293 Y HA 0.259 4.809 4.550 0.001 0.000 0.331 293 Y C 0.670 176.466 175.900 -0.173 0.000 1.092 293 Y CA -0.888 57.181 58.100 -0.050 0.000 1.150 293 Y CB 1.254 39.689 38.460 -0.041 0.000 1.200 293 Y HN 0.354 nan 8.280 nan 0.000 0.472 294 V N 3.578 123.505 119.914 0.022 0.000 2.673 294 V HA 0.299 4.420 4.120 0.001 0.000 0.303 294 V C 0.208 176.122 176.094 -0.299 0.000 1.046 294 V CA -0.483 61.764 62.300 -0.089 0.000 1.126 294 V CB 0.141 31.977 31.823 0.021 0.000 0.934 294 V HN 0.897 nan 8.190 nan 0.000 0.487 295 A N 5.895 128.545 122.820 -0.284 0.000 2.437 295 A HA 0.575 4.895 4.320 0.001 0.000 0.303 295 A C 0.381 177.815 177.584 -0.250 0.000 1.324 295 A CA 0.339 52.182 52.037 -0.324 0.000 0.983 295 A CB 0.300 19.156 19.000 -0.241 0.000 1.142 295 A HN 0.988 nan 8.150 nan 0.000 0.541 296 S N 1.891 117.386 115.700 -0.342 0.000 2.768 296 S HA 0.831 5.302 4.470 0.001 0.000 0.300 296 S C -0.085 174.497 174.600 -0.031 0.000 1.122 296 S CA -0.479 57.641 58.200 -0.133 0.000 0.995 296 S CB 0.826 64.024 63.200 -0.003 0.000 1.195 296 S HN 0.863 nan 8.310 nan 0.000 0.547 297 K N -0.291 120.080 120.400 -0.049 0.000 2.499 297 K HA 0.430 4.750 4.320 0.001 0.000 0.277 297 K C 0.301 176.507 176.600 -0.658 0.000 1.025 297 K CA -0.714 55.425 56.287 -0.248 0.000 0.900 297 K CB 0.277 32.689 32.500 -0.148 0.000 1.494 297 K HN 0.507 nan 8.250 nan 0.000 0.442 298 N N 0.142 118.204 118.700 -1.063 0.000 2.205 298 N HA -0.255 4.485 4.740 0.001 0.000 0.186 298 N C 1.164 176.480 175.510 -0.323 0.000 1.015 298 N CA 2.063 54.511 53.050 -1.004 0.000 0.862 298 N CB -0.389 37.728 38.487 -0.617 0.000 0.986 298 N HN 0.605 nan 8.380 nan 0.000 0.429 299 S N -2.123 113.468 115.700 -0.181 0.000 2.562 299 S HA 0.203 4.673 4.470 0.001 0.000 0.221 299 S C 1.255 175.923 174.600 0.113 0.000 0.975 299 S CA -0.079 58.110 58.200 -0.019 0.000 0.918 299 S CB 0.119 63.306 63.200 -0.021 0.000 0.772 299 S HN 0.147 nan 8.310 nan 0.000 0.531 300 K N 0.651 121.070 120.400 0.032 0.000 2.373 300 K HA 0.348 4.668 4.320 0.001 0.000 0.200 300 K C 1.568 178.165 176.600 -0.005 0.000 1.054 300 K CA 0.199 56.487 56.287 0.003 0.000 1.065 300 K CB 0.034 32.518 32.500 -0.026 0.000 0.886 300 K HN 0.292 nan 8.250 nan 0.000 0.546 301 V N 3.428 123.418 119.914 0.126 0.000 2.594 301 V HA -0.224 3.896 4.120 0.001 0.000 0.253 301 V C 2.446 178.607 176.094 0.112 0.000 1.069 301 V CA 1.974 64.410 62.300 0.227 0.000 1.082 301 V CB -0.537 31.496 31.823 0.349 0.000 0.680 301 V HN 0.419 nan 8.190 nan 0.000 0.469 302 H N 0.152 119.254 119.070 0.055 0.000 2.423 302 H HA -0.121 4.435 4.556 0.001 0.000 0.297 302 H C 1.778 177.129 175.328 0.038 0.000 1.075 302 H CA 1.890 57.955 56.048 0.029 0.000 1.342 302 H CB -0.271 29.498 29.762 0.012 0.000 1.395 302 H HN 0.611 nan 8.280 nan 0.000 0.530 303 E N 0.351 120.181 120.200 -0.616 0.000 2.250 303 E HA -0.032 4.319 4.350 0.001 0.000 0.192 303 E C 1.134 177.688 176.600 -0.076 0.000 0.986 303 E CA 0.738 56.956 56.400 -0.304 0.000 0.849 303 E CB 0.351 29.853 29.700 -0.330 0.000 0.797 303 E HN 0.432 nan 8.360 nan 0.000 0.482 304 D N 0.265 120.674 120.400 0.016 0.000 2.388 304 D HA 0.065 4.705 4.640 0.001 0.000 0.208 304 D C 0.860 177.338 176.300 0.296 0.000 1.035 304 D CA 0.439 54.548 54.000 0.182 0.000 0.875 304 D CB 0.132 41.089 40.800 0.261 0.000 0.984 304 D HN 0.101 nan 8.370 nan 0.000 0.508 305 G N 0.086 108.975 108.800 0.149 0.000 2.504 305 G HA2 0.537 4.498 3.960 0.001 0.000 0.288 305 G HA3 0.537 4.498 3.960 0.001 0.000 0.288 305 G C 0.645 175.469 174.900 -0.127 0.000 1.182 305 G CA -0.415 44.611 45.100 -0.124 0.000 0.894 305 G HN -0.038 nan 8.290 nan 0.000 0.521 306 I N 0.078 120.500 120.570 -0.247 0.000 4.987 306 I HA 0.173 4.343 4.170 0.001 0.000 0.240 306 I C 2.216 178.201 176.117 -0.220 0.000 0.946 306 I CA -0.404 60.799 61.300 -0.162 0.000 2.026 306 I CB -0.555 37.388 38.000 -0.094 0.000 1.509 306 I HN 0.432 nan 8.210 nan 0.000 0.472 307 L N 1.928 122.993 121.223 -0.263 0.000 2.043 307 L HA -0.170 4.171 4.340 0.001 0.000 0.212 307 L C 2.487 179.128 176.870 -0.382 0.000 1.075 307 L CA 2.353 57.019 54.840 -0.290 0.000 0.752 307 L CB -0.860 41.004 42.059 -0.325 0.000 0.891 307 L HN 0.405 nan 8.230 nan 0.000 0.432 308 A N -0.413 122.057 122.820 -0.584 0.000 1.892 308 A HA -0.325 3.995 4.320 0.001 0.000 0.218 308 A C 2.466 179.819 177.584 -0.385 0.000 1.188 308 A CA 2.293 53.933 52.037 -0.662 0.000 0.631 308 A CB -0.756 17.414 19.000 -1.384 0.000 0.822 308 A HN 0.578 nan 8.150 nan 0.000 0.447 309 K N -0.573 119.642 120.400 -0.309 0.000 2.009 309 K HA -0.240 4.080 4.320 0.001 0.000 0.210 309 K C 1.753 178.297 176.600 -0.093 0.000 1.049 309 K CA 1.867 58.080 56.287 -0.123 0.000 0.929 309 K CB -0.313 32.140 32.500 -0.079 0.000 0.714 309 K HN 0.434 nan 8.250 nan 0.000 0.440 310 N N 0.946 119.578 118.700 -0.114 0.000 2.120 310 N HA -0.156 4.584 4.740 0.001 0.000 0.188 310 N C 1.850 177.307 175.510 -0.088 0.000 1.024 310 N CA 1.318 54.320 53.050 -0.080 0.000 0.852 310 N CB -0.214 38.230 38.487 -0.072 0.000 1.003 310 N HN 0.387 nan 8.380 nan 0.000 0.424 311 Q N 0.070 119.785 119.800 -0.141 0.000 2.119 311 Q HA -0.002 4.339 4.340 0.001 0.000 0.201 311 Q C 2.012 177.943 176.000 -0.116 0.000 0.972 311 Q CA 0.811 56.527 55.803 -0.144 0.000 0.847 311 Q CB 0.122 28.723 28.738 -0.228 0.000 0.903 311 Q HN 0.139 nan 8.270 nan 0.000 0.433 312 V N 1.147 120.998 119.914 -0.105 0.000 2.358 312 V HA -0.243 3.877 4.120 0.001 0.000 0.246 312 V C 1.881 177.961 176.094 -0.024 0.000 1.047 312 V CA 1.781 64.054 62.300 -0.045 0.000 1.035 312 V CB -0.445 31.397 31.823 0.032 0.000 0.658 312 V HN 0.352 nan 8.190 nan 0.000 0.452 313 E N 0.147 120.335 120.200 -0.021 0.000 2.058 313 E HA -0.323 4.028 4.350 0.001 0.000 0.194 313 E C 2.229 178.815 176.600 -0.022 0.000 0.997 313 E CA 1.708 58.098 56.400 -0.015 0.000 0.801 313 E CB -0.196 29.499 29.700 -0.009 0.000 0.746 313 E HN 0.397 nan 8.360 nan 0.000 0.450 314 K N 1.029 121.411 120.400 -0.029 0.000 2.103 314 K HA -0.127 4.193 4.320 0.001 0.000 0.207 314 K C 1.789 178.372 176.600 -0.028 0.000 1.048 314 K CA 1.459 57.731 56.287 -0.026 0.000 0.930 314 K CB -0.283 32.202 32.500 -0.026 0.000 0.716 314 K HN 0.118 nan 8.250 nan 0.000 0.444 315 A N -0.154 122.643 122.820 -0.038 0.000 1.929 315 A HA -0.029 4.291 4.320 0.001 0.000 0.216 315 A C 2.275 179.842 177.584 -0.027 0.000 1.176 315 A CA 1.463 53.477 52.037 -0.039 0.000 0.628 315 A CB -0.543 18.422 19.000 -0.057 0.000 0.816 315 A HN 0.120 nan 8.150 nan 0.000 0.444 316 V N 0.846 120.747 119.914 -0.022 0.000 2.358 316 V HA -0.212 3.909 4.120 0.001 0.000 0.246 316 V C 2.995 179.078 176.094 -0.018 0.000 1.047 316 V CA 2.327 64.617 62.300 -0.018 0.000 1.035 316 V CB -0.677 31.136 31.823 -0.016 0.000 0.658 316 V HN 0.810 nan 8.190 nan 0.000 0.452 317 S N -0.374 115.316 115.700 -0.018 0.000 2.428 317 S HA -0.176 4.294 4.470 0.001 0.000 0.230 317 S C 1.515 176.106 174.600 -0.014 0.000 1.014 317 S CA 1.264 59.455 58.200 -0.016 0.000 0.957 317 S CB -0.417 62.774 63.200 -0.015 0.000 0.784 317 S HN 0.553 nan 8.310 nan 0.000 0.499 318 D N 1.382 121.772 120.400 -0.015 0.000 2.371 318 D HA 0.213 4.854 4.640 0.001 0.000 0.221 318 D C 1.529 177.821 176.300 -0.013 0.000 0.986 318 D CA 1.148 55.139 54.000 -0.014 0.000 0.899 318 D CB -0.046 40.745 40.800 -0.016 0.000 0.902 318 D HN 0.680 nan 8.370 nan 0.000 0.530 319 G N -0.597 108.195 108.800 -0.014 0.000 2.255 319 G HA2 -0.213 3.747 3.960 0.001 0.000 0.196 319 G HA3 -0.213 3.747 3.960 0.001 0.000 0.196 319 G C 0.386 175.279 174.900 -0.012 0.000 0.998 319 G CA -0.223 44.870 45.100 -0.012 0.000 0.656 319 G HN 0.155 nan 8.290 nan 0.000 0.490 320 M N 2.364 121.956 119.600 -0.014 0.000 2.243 320 M HA 0.326 4.806 4.480 0.001 0.000 0.341 320 M C 0.728 177.023 176.300 -0.009 0.000 1.130 320 M CA -0.071 55.222 55.300 -0.013 0.000 1.162 320 M CB 0.262 32.850 32.600 -0.019 0.000 1.497 320 M HN 0.470 nan 8.290 nan 0.000 0.456 321 D N 1.579 121.977 120.400 -0.004 0.000 2.361 321 D HA 0.002 4.642 4.640 0.001 0.000 0.239 321 D C 0.726 177.029 176.300 0.004 0.000 1.200 321 D CA -0.530 53.469 54.000 -0.002 0.000 0.915 321 D CB 0.649 41.450 40.800 0.001 0.000 1.170 321 D HN 0.456 nan 8.370 nan 0.000 0.444 322 L N 0.327 121.552 121.223 0.003 0.000 2.079 322 L HA -0.167 4.173 4.340 0.001 0.000 0.210 322 L C 2.158 179.055 176.870 0.044 0.000 1.081 322 L CA 1.948 56.797 54.840 0.014 0.000 0.752 322 L CB -0.846 41.208 42.059 -0.008 0.000 0.896 322 L HN 0.638 nan 8.230 nan 0.000 0.433 323 K N -0.620 119.802 120.400 0.037 0.000 2.026 323 K HA -0.198 4.122 4.320 0.001 0.000 0.208 323 K C 1.900 178.550 176.600 0.083 0.000 1.048 323 K CA 2.109 58.435 56.287 0.066 0.000 0.929 323 K CB -0.149 32.379 32.500 0.047 0.000 0.713 323 K HN 0.526 nan 8.250 nan 0.000 0.439 324 N N -0.424 118.302 118.700 0.043 0.000 2.354 324 N HA -0.068 4.672 4.740 0.001 0.000 0.179 324 N C 1.610 177.108 175.510 -0.021 0.000 1.021 324 N CA 0.580 53.640 53.050 0.016 0.000 0.887 324 N CB 0.046 38.537 38.487 0.006 0.000 0.974 324 N HN 0.211 nan 8.380 nan 0.000 0.437 325 A N 0.529 123.346 122.820 -0.005 0.000 1.873 325 A HA -0.191 4.130 4.320 0.001 0.000 0.215 325 A C 1.957 179.509 177.584 -0.054 0.000 1.186 325 A CA 1.082 53.098 52.037 -0.035 0.000 0.616 325 A CB -0.944 18.052 19.000 -0.007 0.000 0.823 325 A HN 0.412 nan 8.150 nan 0.000 0.442 326 Y N 0.777 121.009 120.300 -0.113 0.000 2.145 326 Y HA -0.086 4.464 4.550 0.001 0.000 0.286 326 Y C 2.501 178.264 175.900 -0.228 0.000 1.145 326 Y CA 1.538 59.565 58.100 -0.122 0.000 1.148 326 Y CB -0.673 37.772 38.460 -0.025 0.000 0.981 326 Y HN 0.245 nan 8.280 nan 0.000 0.507 327 G N -1.445 107.302 108.800 -0.089 0.000 2.484 327 G HA2 -0.113 3.848 3.960 0.001 0.000 0.218 327 G HA3 -0.113 3.848 3.960 0.001 0.000 0.218 327 G C 1.272 175.945 174.900 -0.377 0.000 1.130 327 G CA 0.909 45.921 45.100 -0.146 0.000 0.784 327 G HN 0.405 nan 8.290 nan 0.000 0.543 328 Q N -1.234 118.329 119.800 -0.396 0.000 2.215 328 Q HA 0.193 4.533 4.340 0.001 0.000 0.257 328 Q C 1.553 177.301 176.000 -0.420 0.000 0.792 328 Q CA -0.140 55.444 55.803 -0.366 0.000 0.958 328 Q CB 0.617 29.254 28.738 -0.168 0.000 1.158 328 Q HN 0.213 nan 8.270 nan 0.000 0.490 329 R N 0.924 121.181 120.500 -0.404 0.000 2.468 329 R HA 0.292 4.632 4.340 0.001 0.000 0.280 329 R C 0.040 176.129 176.300 -0.352 0.000 0.963 329 R CA -0.027 55.892 56.100 -0.301 0.000 1.083 329 R CB 0.665 30.853 30.300 -0.187 0.000 1.200 329 R HN 0.058 nan 8.270 nan 0.000 0.541 330 R N 0.582 120.761 120.500 -0.535 0.000 2.297 330 R HA 0.291 4.631 4.340 0.001 0.000 0.308 330 R C -0.140 175.957 176.300 -0.339 0.000 1.029 330 R CA -0.217 55.595 56.100 -0.480 0.000 0.929 330 R CB 1.430 31.381 30.300 -0.581 0.000 1.046 330 R HN -0.135 nan 8.270 nan 0.000 0.461 331 S N 1.532 117.043 115.700 -0.314 0.000 2.533 331 S HA 0.060 4.531 4.470 0.001 0.000 0.282 331 S C 0.216 174.776 174.600 -0.066 0.000 1.304 331 S CA -0.183 57.890 58.200 -0.212 0.000 1.063 331 S CB 0.909 63.814 63.200 -0.490 0.000 0.881 331 S HN 0.475 nan 8.310 nan 0.000 0.493 332 S N 2.214 117.963 115.700 0.081 0.000 2.608 332 S HA 0.193 4.664 4.470 0.001 0.000 0.261 332 S C 1.460 176.052 174.600 -0.013 0.000 1.314 332 S CA -0.663 57.577 58.200 0.066 0.000 0.992 332 S CB 0.479 63.751 63.200 0.119 0.000 0.935 332 S HN 0.660 nan 8.310 nan 0.000 0.564 333 L N 0.872 122.081 121.223 -0.024 0.000 2.072 333 L HA 0.290 4.630 4.340 0.001 0.000 0.205 333 L C 0.655 177.478 176.870 -0.078 0.000 1.079 333 L CA 1.333 56.144 54.840 -0.048 0.000 0.752 333 L CB 0.040 42.080 42.059 -0.033 0.000 0.906 333 L HN 0.609 nan 8.230 nan 0.000 0.436 334 M N -0.951 118.602 119.600 -0.079 0.000 2.277 334 M HA 0.314 4.794 4.480 0.001 0.000 0.282 334 M C -1.634 174.585 176.300 -0.135 0.000 1.074 334 M CA -0.292 54.935 55.300 -0.122 0.000 0.954 334 M CB 2.026 34.559 32.600 -0.112 0.000 1.672 334 M HN -0.194 nan 8.290 nan 0.000 0.471 335 T N 5.887 120.331 114.554 -0.183 0.000 2.890 335 T HA 0.615 4.965 4.350 0.001 0.000 0.295 335 T C -1.038 173.525 174.700 -0.228 0.000 0.993 335 T CA -0.527 61.429 62.100 -0.240 0.000 0.979 335 T CB 1.011 69.659 68.868 -0.368 0.000 0.967 335 T HN 0.573 nan 8.240 nan 0.000 0.441 336 L N 3.290 124.403 121.223 -0.184 0.000 2.376 336 L HA 0.690 5.030 4.340 0.001 0.000 0.275 336 L C -0.050 176.773 176.870 -0.078 0.000 0.987 336 L CA -0.854 53.901 54.840 -0.140 0.000 0.828 336 L CB 2.011 44.011 42.059 -0.098 0.000 1.249 336 L HN 0.394 nan 8.230 nan 0.000 0.409 337 R N 2.196 122.682 120.500 -0.023 0.000 2.514 337 R HA 0.547 4.887 4.340 0.001 0.000 0.296 337 R C 0.486 176.895 176.300 0.182 0.000 1.012 337 R CA 0.207 56.335 56.100 0.047 0.000 0.897 337 R CB 1.876 32.178 30.300 0.002 0.000 1.184 337 R HN 0.817 nan 8.270 nan 0.000 0.440 338 G N 2.111 110.997 108.800 0.143 0.000 2.143 338 G HA2 -0.232 3.728 3.960 0.001 0.000 0.248 338 G HA3 -0.232 3.728 3.960 0.001 0.000 0.248 338 G C -0.291 174.716 174.900 0.178 0.000 0.991 338 G CA 0.256 45.440 45.100 0.139 0.000 0.689 338 G HN 0.438 nan 8.290 nan 0.000 0.522 339 V N 0.104 120.129 119.914 0.184 0.000 2.432 339 V HA 0.546 4.667 4.120 0.001 0.000 0.275 339 V C 0.457 176.626 176.094 0.126 0.000 1.043 339 V CA -0.476 61.939 62.300 0.192 0.000 0.925 339 V CB 1.734 33.639 31.823 0.137 0.000 0.985 339 V HN 0.408 nan 8.190 nan 0.000 0.466 340 E N 5.076 125.347 120.200 0.118 0.000 2.081 340 E HA 0.405 4.755 4.350 0.001 0.000 0.281 340 E C -0.792 175.896 176.600 0.146 0.000 0.986 340 E CA -0.254 56.219 56.400 0.122 0.000 0.796 340 E CB 0.213 29.965 29.700 0.088 0.000 1.085 340 E HN 0.701 nan 8.360 nan 0.000 0.398 341 N N 2.273 121.074 118.700 0.169 0.000 2.400 341 N HA -0.115 4.625 4.740 0.001 0.000 0.278 341 N C -1.749 173.852 175.510 0.152 0.000 1.405 341 N CA 0.421 53.567 53.050 0.161 0.000 0.709 341 N CB -0.993 37.579 38.487 0.142 0.000 0.896 341 N HN 0.183 nan 8.380 nan 0.000 0.495 342 V N 3.026 123.043 119.914 0.173 0.000 2.531 342 V HA 0.493 4.614 4.120 0.001 0.000 0.301 342 V C -0.626 175.602 176.094 0.223 0.000 1.034 342 V CA -0.747 61.650 62.300 0.161 0.000 0.865 342 V CB 1.934 33.840 31.823 0.139 0.000 0.995 342 V HN 0.534 nan 8.190 nan 0.000 0.424 343 Y N 5.875 126.204 120.300 0.048 0.000 2.328 343 Y HA 0.726 5.276 4.550 0.001 0.000 0.333 343 Y C -0.870 175.048 175.900 0.031 0.000 0.958 343 Y CA -0.911 57.208 58.100 0.031 0.000 1.167 343 Y CB 1.407 39.869 38.460 0.004 0.000 1.151 343 Y HN 0.543 nan 8.280 nan 0.000 0.470 344 L N 6.526 127.501 121.223 -0.412 0.000 2.305 344 L HA 0.930 5.270 4.340 0.001 0.000 0.284 344 L C -0.528 175.868 176.870 -0.790 0.000 1.013 344 L CA -0.915 53.709 54.840 -0.361 0.000 0.819 344 L CB 1.384 43.351 42.059 -0.152 0.000 1.227 344 L HN 0.770 nan 8.230 nan 0.000 0.417 345 A N 1.554 123.979 122.820 -0.658 0.000 2.520 345 A HA 0.740 5.061 4.320 0.001 0.000 0.298 345 A C 0.524 177.854 177.584 -0.425 0.000 1.051 345 A CA 0.218 51.858 52.037 -0.663 0.000 0.690 345 A CB 1.704 20.296 19.000 -0.680 0.000 1.281 345 A HN 0.947 nan 8.150 nan 0.000 0.402 346 G N 0.424 108.962 108.800 -0.436 0.000 2.435 346 G HA2 -0.203 3.758 3.960 0.001 0.000 0.245 346 G HA3 -0.203 3.758 3.960 0.001 0.000 0.245 346 G C 0.341 175.088 174.900 -0.255 0.000 1.073 346 G CA 1.056 45.995 45.100 -0.268 0.000 0.638 346 G HN 2.155 nan 8.290 nan 0.000 0.521 347 F N 1.634 121.454 119.950 -0.218 0.000 2.406 347 F HA 0.738 5.265 4.527 0.001 0.000 0.327 347 F C 0.408 176.069 175.800 -0.231 0.000 1.153 347 F CA -0.387 57.498 58.000 -0.193 0.000 1.218 347 F CB 0.382 39.281 39.000 -0.169 0.000 1.215 347 F HN 0.013 nan 8.300 nan 0.000 0.570 348 T N 2.391 116.994 114.554 0.082 0.000 2.837 348 T HA 0.533 4.883 4.350 0.001 0.000 0.285 348 T C -0.537 174.211 174.700 0.080 0.000 0.984 348 T CA -0.538 61.553 62.100 -0.016 0.000 1.049 348 T CB 1.403 70.254 68.868 -0.028 0.000 0.947 348 T HN 0.544 nan 8.240 nan 0.000 0.472 349 V N 4.847 124.765 119.914 0.006 0.000 2.417 349 V HA 0.558 4.678 4.120 0.001 0.000 0.291 349 V C 0.150 176.283 176.094 0.065 0.000 1.024 349 V CA -0.727 61.611 62.300 0.062 0.000 0.861 349 V CB 1.474 33.347 31.823 0.083 0.000 0.985 349 V HN 0.721 nan 8.190 nan 0.000 0.436 350 R N 2.876 123.403 120.500 0.045 0.000 2.744 350 R HA 0.459 4.799 4.340 0.001 0.000 0.279 350 R C 0.206 176.428 176.300 -0.129 0.000 0.977 350 R CA -0.794 55.327 56.100 0.036 0.000 0.906 350 R CB 1.432 31.803 30.300 0.118 0.000 1.197 350 R HN 0.868 nan 8.270 nan 0.000 0.463 351 N N 1.160 119.600 118.700 -0.434 0.000 2.727 351 N HA -0.119 4.621 4.740 0.001 0.000 0.251 351 N C -2.451 172.932 175.510 -0.213 0.000 1.040 351 N CA -0.469 52.178 53.050 -0.672 0.000 0.712 351 N CB -0.067 38.043 38.487 -0.628 0.000 0.912 351 N HN 0.245 nan 8.380 nan 0.000 0.545 352 P HA 0.101 nan 4.420 nan 0.000 0.274 352 P C 0.369 177.680 177.300 0.018 0.000 1.231 352 P CA 0.074 63.158 63.100 -0.026 0.000 0.790 352 P CB 1.025 32.733 31.700 0.013 0.000 0.951 353 A N 1.806 124.548 122.820 -0.130 0.000 2.066 353 A HA -0.012 4.308 4.320 0.001 0.000 0.218 353 A C 0.989 178.579 177.584 0.011 0.000 1.157 353 A CA 1.298 53.172 52.037 -0.272 0.000 0.670 353 A CB -0.799 17.943 19.000 -0.429 0.000 0.804 353 A HN 0.590 nan 8.150 nan 0.000 0.453 354 F N -2.030 117.839 119.950 -0.134 0.000 2.110 354 F HA 0.370 4.897 4.527 0.001 0.000 0.213 354 F C -0.004 175.701 175.800 -0.158 0.000 1.314 354 F CA -1.407 56.464 58.000 -0.216 0.000 1.173 354 F CB -0.280 38.501 39.000 -0.365 0.000 2.044 354 F HN 0.077 nan 8.300 nan 0.000 0.118 355 H N 0.403 119.268 119.070 -0.341 0.000 2.603 355 H HA 0.403 4.960 4.556 0.001 0.000 0.370 355 H C 0.760 175.985 175.328 -0.172 0.000 1.225 355 H CA 0.370 56.188 56.048 -0.382 0.000 1.410 355 H CB 0.414 29.887 29.762 -0.481 0.000 1.495 355 H HN 0.647 nan 8.280 nan 0.000 0.602 356 G N 0.811 109.607 108.800 -0.006 0.000 2.620 356 G HA2 0.120 4.081 3.960 0.001 0.000 0.200 356 G HA3 0.120 4.081 3.960 0.001 0.000 0.200 356 G C 0.270 175.156 174.900 -0.023 0.000 1.710 356 G CA -0.245 44.856 45.100 0.002 0.000 0.919 356 G HN 0.511 nan 8.290 nan 0.000 0.455 357 I N 1.444 121.985 120.570 -0.048 0.000 2.315 357 I HA 0.339 4.509 4.170 0.001 0.000 0.291 357 I C -0.318 175.676 176.117 -0.204 0.000 1.006 357 I CA 0.125 61.373 61.300 -0.087 0.000 1.265 357 I CB 1.573 39.558 38.000 -0.027 0.000 1.387 357 I HN 0.152 nan 8.210 nan 0.000 0.475 358 M N 6.430 125.920 119.600 -0.185 0.000 2.227 358 M HA 0.403 4.883 4.480 0.001 0.000 0.335 358 M C -0.784 175.408 176.300 -0.180 0.000 1.053 358 M CA -0.410 54.757 55.300 -0.222 0.000 0.973 358 M CB 1.402 33.885 32.600 -0.196 0.000 1.623 358 M HN 0.452 nan 8.290 nan 0.000 0.434 359 N N 4.899 123.506 118.700 -0.156 0.000 2.443 359 N HA 0.568 5.308 4.740 0.001 0.000 0.269 359 N C -1.585 173.946 175.510 0.035 0.000 0.985 359 N CA -0.339 52.703 53.050 -0.012 0.000 0.921 359 N CB 2.222 40.798 38.487 0.148 0.000 1.195 359 N HN 0.569 nan 8.380 nan 0.000 0.492 360 L N 1.718 122.953 121.223 0.021 0.000 2.372 360 L HA 0.311 4.651 4.340 0.001 0.000 0.274 360 L C 0.446 177.372 176.870 0.094 0.000 0.988 360 L CA -0.450 54.415 54.840 0.042 0.000 0.833 360 L CB 1.363 43.390 42.059 -0.054 0.000 1.236 360 L HN 0.542 nan 8.230 nan 0.000 0.410 361 E N 0.917 121.206 120.200 0.149 0.000 2.476 361 E HA -0.201 4.150 4.350 0.001 0.000 0.251 361 E C -0.463 176.214 176.600 0.128 0.000 1.130 361 E CA 0.224 56.714 56.400 0.150 0.000 0.736 361 E CB -0.954 28.815 29.700 0.115 0.000 1.298 361 E HN 0.612 nan 8.360 nan 0.000 0.400 362 N N 0.430 119.241 118.700 0.185 0.000 2.492 362 N HA 0.345 5.086 4.740 0.001 0.000 0.289 362 N C -0.265 175.448 175.510 0.339 0.000 1.133 362 N CA -0.073 53.092 53.050 0.192 0.000 0.961 362 N CB 0.756 39.363 38.487 0.200 0.000 1.186 362 N HN 0.196 nan 8.380 nan 0.000 0.493 363 H N 0.425 119.574 119.070 0.131 0.000 2.569 363 H HA 0.309 4.865 4.556 0.001 0.000 0.357 363 H C -0.356 175.047 175.328 0.125 0.000 1.153 363 H CA -0.898 55.221 56.048 0.118 0.000 1.193 363 H CB 1.068 30.892 29.762 0.103 0.000 1.602 363 H HN 0.454 nan 8.280 nan 0.000 0.523 364 N N 0.903 119.739 118.700 0.227 0.000 2.681 364 N HA -0.154 4.586 4.740 0.001 0.000 0.259 364 N C -1.206 174.426 175.510 0.203 0.000 1.066 364 N CA 0.315 53.479 53.050 0.189 0.000 0.717 364 N CB -1.384 37.215 38.487 0.185 0.000 0.885 364 N HN 0.168 nan 8.380 nan 0.000 0.547 365 V N 0.236 120.270 119.914 0.200 0.000 2.483 365 V HA 0.599 4.720 4.120 0.001 0.000 0.295 365 V C 0.699 176.931 176.094 0.230 0.000 1.035 365 V CA -0.778 61.660 62.300 0.229 0.000 0.896 365 V CB 2.333 34.335 31.823 0.299 0.000 0.986 365 V HN 0.087 nan 8.190 nan 0.000 0.447 366 V N 3.403 123.460 119.914 0.239 0.000 2.531 366 V HA 0.794 4.914 4.120 0.001 0.000 0.301 366 V C 0.113 176.234 176.094 0.046 0.000 1.034 366 V CA -0.563 61.874 62.300 0.228 0.000 0.865 366 V CB 1.814 33.874 31.823 0.394 0.000 0.995 366 V HN 0.995 nan 8.190 nan 0.000 0.424 367 A N 3.762 126.557 122.820 -0.042 0.000 2.285 367 A HA 0.759 5.080 4.320 0.001 0.000 0.310 367 A C -0.467 176.802 177.584 -0.525 0.000 1.266 367 A CA -0.475 51.413 52.037 -0.248 0.000 0.832 367 A CB 0.532 19.476 19.000 -0.094 0.000 1.163 367 A HN 0.746 nan 8.150 nan 0.000 0.499 368 N N 1.779 120.038 118.700 -0.734 0.000 2.483 368 N HA 0.473 5.213 4.740 0.001 0.000 0.267 368 N C 0.527 175.603 175.510 -0.723 0.000 0.998 368 N CA 0.578 53.015 53.050 -1.022 0.000 0.918 368 N CB 1.215 39.154 38.487 -0.914 0.000 1.215 368 N HN 1.420 nan 8.380 nan 0.000 0.500 369 G N 2.637 111.060 108.800 -0.629 0.000 2.176 369 G HA2 -0.239 3.722 3.960 0.001 0.000 0.252 369 G HA3 -0.239 3.722 3.960 0.001 0.000 0.252 369 G C -0.119 174.485 174.900 -0.493 0.000 1.024 369 G CA 0.345 45.181 45.100 -0.441 0.000 0.755 369 G HN 0.536 nan 8.290 nan 0.000 0.507 370 L N -0.487 120.356 121.223 -0.633 0.000 2.439 370 L HA 0.517 4.857 4.340 0.001 0.000 0.269 370 L C 0.964 177.402 176.870 -0.719 0.000 1.179 370 L CA -0.330 54.014 54.840 -0.826 0.000 0.828 370 L CB 0.843 42.283 42.059 -1.032 0.000 1.106 370 L HN 0.091 nan 8.230 nan 0.000 0.467 371 I N 2.040 122.216 120.570 -0.657 0.000 2.382 371 I HA 0.241 4.411 4.170 0.001 0.000 0.285 371 I C -0.404 175.461 176.117 -0.419 0.000 1.007 371 I CA -0.436 60.629 61.300 -0.392 0.000 1.142 371 I CB 0.853 38.706 38.000 -0.245 0.000 1.289 371 I HN 0.475 nan 8.210 nan 0.000 0.453 372 H N 6.756 125.773 119.070 -0.088 0.000 2.556 372 H HA 0.363 4.919 4.556 0.001 0.000 0.310 372 H C -0.783 174.628 175.328 0.139 0.000 1.057 372 H CA -0.526 55.501 56.048 -0.034 0.000 1.264 372 H CB 1.281 30.963 29.762 -0.132 0.000 1.404 372 H HN 0.548 nan 8.280 nan 0.000 0.462 373 Q N 2.032 121.976 119.800 0.239 0.000 2.700 373 Q HA 0.161 4.501 4.340 0.001 0.000 0.249 373 Q C 0.289 176.499 176.000 0.351 0.000 1.033 373 Q CA -0.348 55.635 55.803 0.301 0.000 0.804 373 Q CB 1.075 29.958 28.738 0.242 0.000 1.164 373 Q HN 0.770 nan 8.270 nan 0.000 0.500 374 T N -3.177 111.571 114.554 0.323 0.000 3.111 374 T HA 0.099 4.449 4.350 0.001 0.000 0.284 374 T C -0.042 174.830 174.700 0.286 0.000 0.983 374 T CA -0.315 61.945 62.100 0.267 0.000 0.900 374 T CB -0.050 68.886 68.868 0.114 0.000 1.132 374 T HN 0.370 nan 8.240 nan 0.000 0.531 375 Y N 2.750 123.169 120.300 0.198 0.000 2.620 375 Y HA 0.340 4.890 4.550 0.001 0.000 0.330 375 Y C 0.196 176.190 175.900 0.157 0.000 1.186 375 Y CA -0.140 58.034 58.100 0.122 0.000 1.467 375 Y CB 0.620 39.132 38.460 0.087 0.000 1.262 375 Y HN 0.110 nan 8.280 nan 0.000 0.550 376 D N 5.417 125.519 120.400 -0.498 0.000 3.018 376 D HA 0.264 4.904 4.640 0.001 0.000 0.331 376 D C -0.669 175.351 176.300 -0.467 0.000 1.334 376 D CA -0.281 53.242 54.000 -0.795 0.000 0.900 376 D CB -0.435 39.562 40.800 -1.339 0.000 1.059 376 D HN 0.680 nan 8.370 nan 0.000 0.498 377 A N 1.731 124.344 122.820 -0.345 0.000 2.545 377 A HA 0.076 4.397 4.320 0.001 0.000 0.253 377 A C 0.692 178.026 177.584 -0.417 0.000 1.074 377 A CA -0.213 51.471 52.037 -0.589 0.000 0.760 377 A CB -0.125 18.713 19.000 -0.271 0.000 1.005 377 A HN 0.386 nan 8.150 nan 0.000 0.506 378 N N 2.196 120.566 118.700 -0.550 0.000 2.411 378 N HA -0.031 4.709 4.740 0.001 0.000 0.265 378 N C 0.421 175.934 175.510 0.005 0.000 1.266 378 N CA 1.172 54.110 53.050 -0.187 0.000 0.889 378 N CB -0.569 37.879 38.487 -0.064 0.000 1.069 378 N HN 0.703 nan 8.380 nan 0.000 0.476 379 N N 0.139 118.832 118.700 -0.011 0.000 2.800 379 N HA -0.166 4.575 4.740 0.001 0.000 0.250 379 N C 0.058 175.521 175.510 -0.078 0.000 1.078 379 N CA 0.997 54.027 53.050 -0.034 0.000 0.804 379 N CB -1.382 37.103 38.487 -0.002 0.000 1.135 379 N HN 0.561 nan 8.380 nan 0.000 0.565 380 G N 0.721 109.472 108.800 -0.081 0.000 3.101 380 G HA2 0.293 4.253 3.960 0.001 0.000 0.272 380 G HA3 0.293 4.253 3.960 0.001 0.000 0.272 380 G C -0.011 174.839 174.900 -0.084 0.000 0.801 380 G CA -0.259 44.809 45.100 -0.054 0.000 1.978 380 G HN 0.434 nan 8.290 nan 0.000 0.591 381 D N 0.627 120.965 120.400 -0.103 0.000 2.344 381 D HA 0.328 4.969 4.640 0.001 0.000 0.244 381 D C 1.402 177.624 176.300 -0.131 0.000 1.134 381 D CA -0.063 53.841 54.000 -0.160 0.000 0.930 381 D CB 0.971 41.627 40.800 -0.241 0.000 1.175 381 D HN 0.080 nan 8.370 nan 0.000 0.437 382 G N 0.074 108.786 108.800 -0.146 0.000 2.496 382 G HA2 0.090 4.050 3.960 0.001 0.000 0.214 382 G HA3 0.090 4.050 3.960 0.001 0.000 0.214 382 G C 0.497 175.266 174.900 -0.218 0.000 1.234 382 G CA 0.176 45.159 45.100 -0.196 0.000 0.807 382 G HN 0.564 nan 8.290 nan 0.000 0.543 383 I N 0.649 121.057 120.570 -0.270 0.000 2.478 383 I HA 0.312 4.482 4.170 0.001 0.000 0.287 383 I C -1.246 174.500 176.117 -0.618 0.000 1.042 383 I CA -0.509 60.528 61.300 -0.438 0.000 1.067 383 I CB 2.541 40.232 38.000 -0.515 0.000 1.233 383 I HN 0.117 nan 8.210 nan 0.000 0.431 384 E N 5.536 125.371 120.200 -0.607 0.000 2.197 384 E HA 0.481 4.832 4.350 0.001 0.000 0.281 384 E C -1.485 174.735 176.600 -0.634 0.000 0.995 384 E CA -0.554 55.508 56.400 -0.564 0.000 0.808 384 E CB 1.786 31.217 29.700 -0.448 0.000 1.093 384 E HN 0.271 nan 8.360 nan 0.000 0.394 385 F N 0.917 120.723 119.950 -0.239 0.000 2.426 385 F HA 0.432 4.959 4.527 0.001 0.000 0.348 385 F C 0.686 176.520 175.800 0.056 0.000 1.124 385 F CA -0.720 57.243 58.000 -0.061 0.000 1.008 385 F CB 2.042 41.044 39.000 0.003 0.000 1.139 385 F HN 0.423 nan 8.300 nan 0.000 0.452 386 G N 2.720 111.672 108.800 0.254 0.000 2.675 386 G HA2 0.263 4.223 3.960 0.001 0.000 0.297 386 G HA3 0.263 4.223 3.960 0.001 0.000 0.297 386 G C -0.178 174.885 174.900 0.271 0.000 1.399 386 G CA -0.763 44.481 45.100 0.240 0.000 0.981 386 G HN 0.743 nan 8.290 nan 0.000 0.519 387 N N 0.624 119.502 118.700 0.296 0.000 2.710 387 N HA -0.187 4.553 4.740 0.001 0.000 0.249 387 N C 0.374 176.037 175.510 0.254 0.000 1.059 387 N CA 1.251 54.458 53.050 0.261 0.000 0.720 387 N CB -0.585 38.055 38.487 0.256 0.000 0.983 387 N HN 0.432 nan 8.380 nan 0.000 0.544 388 S N 0.046 115.911 115.700 0.275 0.000 2.722 388 S HA 0.520 4.991 4.470 0.001 0.000 0.292 388 S C 0.156 174.880 174.600 0.205 0.000 1.135 388 S CA -0.608 57.759 58.200 0.278 0.000 1.003 388 S CB 2.381 65.774 63.200 0.321 0.000 1.067 388 S HN 0.136 nan 8.310 nan 0.000 0.546 389 Q N 1.112 121.014 119.800 0.171 0.000 2.389 389 Q HA 0.410 4.750 4.340 0.001 0.000 0.277 389 Q C -0.967 175.025 176.000 -0.013 0.000 1.082 389 Q CA -0.683 55.124 55.803 0.007 0.000 0.810 389 Q CB 1.680 30.310 28.738 -0.179 0.000 1.374 389 Q HN 0.871 nan 8.270 nan 0.000 0.422 390 N N 0.623 119.305 118.700 -0.030 0.000 2.648 390 N HA -0.174 4.566 4.740 0.001 0.000 0.265 390 N C -1.112 174.424 175.510 0.044 0.000 1.100 390 N CA 0.211 53.267 53.050 0.009 0.000 0.715 390 N CB -0.393 38.098 38.487 0.006 0.000 0.881 390 N HN 0.412 nan 8.380 nan 0.000 0.548 391 V N 0.456 120.358 119.914 -0.020 0.000 2.667 391 V HA 0.881 5.002 4.120 0.001 0.000 0.308 391 V C 0.038 176.146 176.094 0.023 0.000 1.048 391 V CA -0.816 61.417 62.300 -0.112 0.000 0.928 391 V CB 2.128 33.562 31.823 -0.649 0.000 1.004 391 V HN 0.356 nan 8.190 nan 0.000 0.444 392 M N 4.366 124.027 119.600 0.102 0.000 2.271 392 M HA 0.689 5.169 4.480 0.001 0.000 0.285 392 M C -2.192 174.206 176.300 0.164 0.000 1.059 392 M CA -0.426 55.000 55.300 0.210 0.000 0.940 392 M CB 2.150 34.938 32.600 0.314 0.000 1.636 392 M HN 0.679 nan 8.290 nan 0.000 0.460 393 V N 6.165 126.131 119.914 0.087 0.000 2.483 393 V HA 0.691 4.811 4.120 0.001 0.000 0.297 393 V C -1.024 174.917 176.094 -0.255 0.000 1.027 393 V CA -0.498 61.808 62.300 0.010 0.000 0.855 393 V CB 1.504 33.455 31.823 0.213 0.000 0.995 393 V HN 0.782 nan 8.190 nan 0.000 0.424 394 F N 2.267 121.885 119.950 -0.554 0.000 2.631 394 F HA 0.701 5.229 4.527 0.001 0.000 0.308 394 F C 0.293 175.834 175.800 -0.433 0.000 1.097 394 F CA -1.016 56.510 58.000 -0.790 0.000 0.952 394 F CB 1.628 39.703 39.000 -1.542 0.000 1.307 394 F HN 0.347 nan 8.300 nan 0.000 0.450 395 N N 0.130 118.702 118.700 -0.213 0.000 2.778 395 N HA -0.259 4.482 4.740 0.001 0.000 0.249 395 N C -0.876 174.496 175.510 -0.231 0.000 1.069 395 N CA 0.997 53.943 53.050 -0.174 0.000 0.831 395 N CB -1.592 36.799 38.487 -0.160 0.000 1.142 395 N HN 0.852 nan 8.380 nan 0.000 0.573 396 N N -0.106 118.430 118.700 -0.274 0.000 2.530 396 N HA 0.188 4.928 4.740 0.001 0.000 0.273 396 N C -0.501 174.846 175.510 -0.271 0.000 1.173 396 N CA -0.134 52.692 53.050 -0.372 0.000 0.967 396 N CB 0.433 38.597 38.487 -0.537 0.000 1.109 396 N HN 0.108 nan 8.380 nan 0.000 0.453 397 F N 3.351 123.051 119.950 -0.417 0.000 2.404 397 F HA 0.408 4.935 4.527 0.001 0.000 0.354 397 F C -1.190 174.405 175.800 -0.342 0.000 1.122 397 F CA -0.753 57.076 58.000 -0.285 0.000 1.080 397 F CB 0.281 39.113 39.000 -0.280 0.000 1.131 397 F HN 0.305 nan 8.300 nan 0.000 0.471 398 F N 4.753 124.330 119.950 -0.621 0.000 2.402 398 F HA 0.269 4.797 4.527 0.001 0.000 0.355 398 F C -0.454 175.024 175.800 -0.537 0.000 1.123 398 F CA -0.711 57.053 58.000 -0.394 0.000 1.021 398 F CB 1.268 40.089 39.000 -0.299 0.000 1.160 398 F HN 0.383 nan 8.300 nan 0.000 0.451 399 D N 2.484 122.833 120.400 -0.084 0.000 2.408 399 D HA 0.285 4.925 4.640 0.001 0.000 0.261 399 D C -0.707 175.707 176.300 0.190 0.000 1.190 399 D CA -0.200 53.818 54.000 0.030 0.000 0.910 399 D CB 0.830 41.725 40.800 0.159 0.000 1.097 399 D HN 0.492 nan 8.370 nan 0.000 0.522 400 T N -0.965 113.692 114.554 0.173 0.000 2.912 400 T HA 0.567 4.917 4.350 0.001 0.000 0.288 400 T C 1.378 176.166 174.700 0.147 0.000 1.030 400 T CA -0.728 61.462 62.100 0.150 0.000 1.020 400 T CB 1.832 70.742 68.868 0.069 0.000 1.056 400 T HN 0.129 nan 8.240 nan 0.000 0.480 401 G N 0.013 108.831 108.800 0.029 0.000 2.534 401 G HA2 0.078 4.038 3.960 0.001 0.000 0.217 401 G HA3 0.078 4.038 3.960 0.001 0.000 0.217 401 G C 0.395 175.097 174.900 -0.329 0.000 1.128 401 G CA 0.339 45.374 45.100 -0.110 0.000 0.784 401 G HN 0.822 nan 8.290 nan 0.000 0.542 402 D N -0.937 119.219 120.400 -0.406 0.000 3.124 402 D HA 0.116 4.757 4.640 0.001 0.000 0.238 402 D C -0.980 175.032 176.300 -0.480 0.000 1.319 402 D CA -0.601 52.922 54.000 -0.796 0.000 1.057 402 D CB 0.776 41.329 40.800 -0.411 0.000 1.244 402 D HN -0.147 nan 8.370 nan 0.000 0.634 403 D N 0.419 120.646 120.400 -0.288 0.000 2.443 403 D HA 0.035 4.676 4.640 0.001 0.000 0.239 403 D C 1.294 177.477 176.300 -0.196 0.000 1.136 403 D CA -0.009 53.891 54.000 -0.167 0.000 0.879 403 D CB 0.969 41.674 40.800 -0.158 0.000 1.195 403 D HN 0.312 nan 8.370 nan 0.000 0.443 404 C N 1.668 120.837 119.300 -0.218 0.000 2.473 404 C HA 0.022 4.482 4.460 0.001 0.000 0.279 404 C C 1.317 176.036 174.990 -0.452 0.000 1.250 404 C CA 0.066 58.879 59.018 -0.341 0.000 1.713 404 C CB -0.426 27.046 27.740 -0.446 0.000 2.066 404 C HN 0.506 nan 8.230 nan 0.000 0.474 405 I N 1.536 121.858 120.570 -0.413 0.000 2.447 405 I HA 0.301 4.471 4.170 0.001 0.000 0.287 405 I C -0.614 175.289 176.117 -0.358 0.000 1.023 405 I CA 0.081 61.165 61.300 -0.361 0.000 1.083 405 I CB 0.895 38.770 38.000 -0.209 0.000 1.245 405 I HN 0.365 nan 8.210 nan 0.000 0.434 406 N N 6.203 124.631 118.700 -0.454 0.000 2.284 406 N HA 0.494 5.235 4.740 0.001 0.000 0.300 406 N C -1.803 173.426 175.510 -0.468 0.000 1.047 406 N CA -0.364 52.482 53.050 -0.341 0.000 0.821 406 N CB 1.841 40.165 38.487 -0.272 0.000 1.337 406 N HN 0.231 nan 8.380 nan 0.000 0.482 407 F N 1.305 121.308 119.950 0.089 0.000 2.458 407 F HA 0.669 5.196 4.527 0.001 0.000 0.336 407 F C 0.535 176.412 175.800 0.129 0.000 1.114 407 F CA -0.537 57.554 58.000 0.153 0.000 0.987 407 F CB 1.928 41.023 39.000 0.157 0.000 1.130 407 F HN 0.445 nan 8.300 nan 0.000 0.458 408 A N 1.699 124.714 122.820 0.325 0.000 2.454 408 A HA 0.896 5.217 4.320 0.001 0.000 0.302 408 A C -0.537 177.242 177.584 0.325 0.000 1.079 408 A CA -0.277 51.937 52.037 0.295 0.000 0.731 408 A CB 1.598 20.758 19.000 0.266 0.000 1.299 408 A HN 1.063 nan 8.150 nan 0.000 0.413 409 A N 0.704 123.696 122.820 0.286 0.000 2.524 409 A HA 0.633 4.953 4.320 0.001 0.000 0.267 409 A C 0.884 178.479 177.584 0.018 0.000 0.881 409 A CA 0.929 53.081 52.037 0.193 0.000 1.077 409 A CB -0.529 18.563 19.000 0.155 0.000 1.220 409 A HN 2.885 nan 8.150 nan 0.000 0.488 410 G N -0.349 108.362 108.800 -0.149 0.000 2.728 410 G HA2 0.353 4.313 3.960 0.001 0.000 0.294 410 G HA3 0.353 4.313 3.960 0.001 0.000 0.294 410 G C -0.212 174.340 174.900 -0.579 0.000 1.342 410 G CA 0.105 44.730 45.100 -0.793 0.000 0.866 410 G HN 2.084 nan 8.290 nan 0.000 0.534 411 T N -2.341 111.826 114.554 -0.644 0.000 2.971 411 T HA 0.874 5.224 4.350 0.001 0.000 0.304 411 T C 0.895 175.109 174.700 -0.810 0.000 1.038 411 T CA 0.860 62.469 62.100 -0.818 0.000 1.007 411 T CB 1.440 69.575 68.868 -1.221 0.000 1.055 411 T HN 2.997 nan 8.240 nan 0.000 0.451 412 G N 2.399 110.837 108.800 -0.604 0.000 2.681 412 G HA2 -0.162 3.799 3.960 0.001 0.000 0.220 412 G HA3 -0.162 3.799 3.960 0.001 0.000 0.220 412 G C 0.417 175.167 174.900 -0.250 0.000 1.353 412 G CA 0.535 45.495 45.100 -0.233 0.000 0.872 412 G HN 0.995 nan 8.290 nan 0.000 0.557 413 E N 0.072 120.176 120.200 -0.160 0.000 2.160 413 E HA -0.061 4.290 4.350 0.001 0.000 0.195 413 E C 2.313 178.792 176.600 -0.202 0.000 0.991 413 E CA 2.159 58.468 56.400 -0.152 0.000 0.810 413 E CB -0.160 29.481 29.700 -0.098 0.000 0.742 413 E HN 0.552 nan 8.360 nan 0.000 0.466 414 K N -0.522 119.668 120.400 -0.351 0.000 2.459 414 K HA 0.142 4.462 4.320 0.001 0.000 0.193 414 K C 1.836 178.247 176.600 -0.316 0.000 1.030 414 K CA 0.393 56.455 56.287 -0.375 0.000 1.026 414 K CB 0.144 32.286 32.500 -0.596 0.000 0.809 414 K HN 0.135 nan 8.250 nan 0.000 0.504 415 A N 1.937 124.553 122.820 -0.340 0.000 1.892 415 A HA -0.253 4.067 4.320 0.001 0.000 0.218 415 A C 1.917 179.494 177.584 -0.012 0.000 1.188 415 A CA 1.415 53.350 52.037 -0.170 0.000 0.631 415 A CB -0.421 18.442 19.000 -0.229 0.000 0.822 415 A HN 0.341 nan 8.150 nan 0.000 0.447 416 Q N -0.460 119.328 119.800 -0.019 0.000 2.561 416 Q HA -0.145 4.195 4.340 0.001 0.000 0.217 416 Q C 1.222 177.265 176.000 0.072 0.000 0.980 416 Q CA 0.797 56.627 55.803 0.045 0.000 0.927 416 Q CB -0.224 28.542 28.738 0.047 0.000 0.980 416 Q HN 0.755 nan 8.270 nan 0.000 0.525 417 E N 1.001 121.251 120.200 0.084 0.000 2.444 417 E HA -0.184 4.166 4.350 0.001 0.000 0.204 417 E C -0.040 176.642 176.600 0.137 0.000 1.049 417 E CA 0.753 57.226 56.400 0.122 0.000 0.872 417 E CB 0.038 29.845 29.700 0.178 0.000 0.791 417 E HN 0.481 nan 8.360 nan 0.000 0.548 418 Q N -0.294 119.590 119.800 0.139 0.000 2.389 418 Q HA 0.386 4.726 4.340 0.001 0.000 0.277 418 Q C -0.937 175.150 176.000 0.145 0.000 1.082 418 Q CA -0.814 55.080 55.803 0.151 0.000 0.810 418 Q CB 1.404 30.253 28.738 0.185 0.000 1.374 418 Q HN -0.113 nan 8.270 nan 0.000 0.422 419 E N 2.578 122.872 120.200 0.156 0.000 2.604 419 E HA -0.051 4.299 4.350 0.001 0.000 0.267 419 E C -1.959 174.742 176.600 0.168 0.000 0.970 419 E CA -0.808 55.690 56.400 0.163 0.000 0.956 419 E CB 0.303 30.122 29.700 0.199 0.000 0.939 419 E HN 0.326 nan 8.360 nan 0.000 0.465 420 P HA -0.099 nan 4.420 nan 0.000 0.269 420 P C -0.516 176.886 177.300 0.169 0.000 1.215 420 P CA -0.075 63.135 63.100 0.183 0.000 0.780 420 P CB 0.506 32.313 31.700 0.178 0.000 0.898 421 M N 3.222 122.935 119.600 0.188 0.000 2.455 421 M HA 0.146 4.626 4.480 0.001 0.000 0.331 421 M C -0.095 176.263 176.300 0.096 0.000 1.481 421 M CA 0.644 56.055 55.300 0.185 0.000 1.362 421 M CB -0.991 31.760 32.600 0.252 0.000 1.564 421 M HN 0.168 nan 8.290 nan 0.000 0.458 422 K N 3.808 124.241 120.400 0.054 0.000 2.507 422 K HA 0.654 4.974 4.320 0.001 0.000 0.252 422 K C -0.744 175.825 176.600 -0.051 0.000 0.943 422 K CA -0.155 56.124 56.287 -0.014 0.000 0.808 422 K CB 1.167 33.663 32.500 -0.007 0.000 1.142 422 K HN 0.885 nan 8.250 nan 0.000 0.426 423 G N 2.258 111.004 108.800 -0.091 0.000 2.929 423 G HA2 0.140 4.100 3.960 0.001 0.000 0.335 423 G HA3 0.140 4.100 3.960 0.001 0.000 0.335 423 G C -0.881 173.980 174.900 -0.066 0.000 1.054 423 G CA -0.282 44.770 45.100 -0.080 0.000 1.067 423 G HN 0.766 nan 8.290 nan 0.000 0.472 424 A N 2.051 124.825 122.820 -0.077 0.000 2.422 424 A HA 0.811 5.131 4.320 0.001 0.000 0.302 424 A C -0.999 176.696 177.584 0.186 0.000 1.041 424 A CA -0.566 51.471 52.037 0.001 0.000 0.708 424 A CB 1.648 20.582 19.000 -0.109 0.000 1.257 424 A HN 1.742 nan 8.150 nan 0.000 0.414 425 W N 4.417 125.755 121.300 0.063 0.000 2.587 425 W HA 0.638 5.298 4.660 0.001 0.000 0.324 425 W C -2.307 174.394 176.519 0.304 0.000 1.008 425 W CA -1.422 56.020 57.345 0.162 0.000 1.265 425 W CB 1.494 31.050 29.460 0.160 0.000 1.328 425 W HN 0.375 nan 8.180 nan 0.000 0.432 426 L N 9.282 130.743 121.223 0.397 0.000 2.345 426 L HA 0.529 4.870 4.340 0.001 0.000 0.274 426 L C -0.603 176.392 176.870 0.209 0.000 0.999 426 L CA -0.984 53.991 54.840 0.225 0.000 0.849 426 L CB -0.554 41.685 42.059 0.301 0.000 1.220 426 L HN 0.368 nan 8.230 nan 0.000 0.422 427 F N 0.717 120.608 119.950 -0.098 0.000 2.626 427 F HA 0.588 5.115 4.527 0.000 0.000 0.311 427 F C 0.607 176.374 175.800 -0.054 0.000 1.088 427 F CA -1.055 56.870 58.000 -0.124 0.000 0.949 427 F CB 1.251 40.049 39.000 -0.336 0.000 1.322 427 F HN 0.309 nan 8.300 nan 0.000 0.461 428 N N 0.877 119.659 118.700 0.136 0.000 2.725 428 N HA -0.222 4.518 4.740 0.001 0.000 0.249 428 N C -1.247 174.266 175.510 0.005 0.000 1.103 428 N CA 0.750 53.853 53.050 0.088 0.000 0.707 428 N CB -1.325 37.234 38.487 0.119 0.000 1.043 428 N HN 0.736 nan 8.380 nan 0.000 0.553 429 N N -0.008 118.676 118.700 -0.026 0.000 2.472 429 N HA 0.273 5.013 4.740 0.001 0.000 0.289 429 N C -0.646 174.795 175.510 -0.115 0.000 1.156 429 N CA -0.286 52.675 53.050 -0.148 0.000 0.940 429 N CB 1.092 39.344 38.487 -0.393 0.000 1.200 429 N HN 0.145 nan 8.380 nan 0.000 0.511 430 Y N 1.178 121.307 120.300 -0.286 0.000 2.334 430 Y HA 0.397 4.947 4.550 0.001 0.000 0.336 430 Y C -1.173 174.496 175.900 -0.384 0.000 0.960 430 Y CA -0.839 57.133 58.100 -0.214 0.000 1.164 430 Y CB 0.269 38.702 38.460 -0.044 0.000 1.155 430 Y HN 0.330 nan 8.280 nan 0.000 0.478 431 F N 6.732 126.464 119.950 -0.363 0.000 2.391 431 F HA 0.485 5.012 4.527 0.001 0.000 0.359 431 F C 0.820 176.307 175.800 -0.522 0.000 1.122 431 F CA -0.304 57.502 58.000 -0.322 0.000 1.120 431 F CB 1.053 39.893 39.000 -0.267 0.000 1.142 431 F HN 0.564 nan 8.300 nan 0.000 0.483 432 R N 2.498 122.800 120.500 -0.330 0.000 1.557 432 R HA 0.490 4.830 4.340 0.001 0.000 0.106 432 R C 0.267 176.477 176.300 -0.151 0.000 1.616 432 R CA -0.449 55.501 56.100 -0.250 0.000 1.892 432 R CB 0.357 30.532 30.300 -0.209 0.000 1.185 432 R HN 0.506 nan 8.270 nan 0.000 0.608 433 M N 0.215 119.723 119.600 -0.153 0.000 2.241 433 M HA 0.293 4.773 4.480 0.001 0.000 0.335 433 M C 0.096 176.392 176.300 -0.006 0.000 1.122 433 M CA 0.364 55.582 55.300 -0.137 0.000 1.164 433 M CB 1.519 33.911 32.600 -0.346 0.000 1.459 433 M HN 0.772 nan 8.290 nan 0.000 0.461 434 G N -0.074 108.765 108.800 0.064 0.000 2.328 434 G HA2 0.115 4.075 3.960 0.001 0.000 0.299 434 G HA3 0.115 4.075 3.960 0.001 0.000 0.299 434 G C -0.621 174.386 174.900 0.178 0.000 1.435 434 G CA -0.829 44.332 45.100 0.102 0.000 0.865 434 G HN 0.902 nan 8.290 nan 0.000 0.601 435 H N -0.432 118.619 119.070 -0.032 0.000 2.548 435 H HA 0.360 4.917 4.556 0.001 0.000 0.268 435 H C 1.293 176.570 175.328 -0.084 0.000 0.975 435 H CA 0.552 56.573 56.048 -0.045 0.000 1.195 435 H CB 0.746 30.487 29.762 -0.036 0.000 1.397 435 H HN 0.893 nan 8.280 nan 0.000 0.572 436 G N -0.938 107.857 108.800 -0.007 0.000 2.387 436 G HA2 0.318 4.278 3.960 0.001 0.000 0.309 436 G HA3 0.318 4.278 3.960 0.001 0.000 0.309 436 G C 0.211 174.979 174.900 -0.220 0.000 1.641 436 G CA -0.170 44.866 45.100 -0.107 0.000 0.904 436 G HN 0.135 nan 8.290 nan 0.000 0.661 437 A N 1.775 124.377 122.820 -0.363 0.000 1.858 437 A HA 0.314 4.634 4.320 0.001 0.000 0.216 437 A C 1.038 178.271 177.584 -0.585 0.000 1.190 437 A CA 1.240 52.796 52.037 -0.802 0.000 0.617 437 A CB -0.126 18.132 19.000 -1.236 0.000 0.827 437 A HN 0.726 nan 8.150 nan 0.000 0.443 438 I N 0.686 121.091 120.570 -0.275 0.000 2.439 438 I HA 0.367 4.538 4.170 0.001 0.000 0.283 438 I C -1.258 174.872 176.117 0.022 0.000 1.023 438 I CA -0.408 60.874 61.300 -0.029 0.000 1.100 438 I CB 1.355 39.443 38.000 0.146 0.000 1.238 438 I HN -0.094 nan 8.210 nan 0.000 0.445 439 V N 5.275 125.233 119.914 0.074 0.000 2.407 439 V HA 0.475 4.595 4.120 0.001 0.000 0.291 439 V C 0.248 176.474 176.094 0.219 0.000 1.018 439 V CA -0.481 61.862 62.300 0.072 0.000 0.842 439 V CB 1.909 33.726 31.823 -0.009 0.000 0.996 439 V HN 0.846 nan 8.190 nan 0.000 0.426 440 T N 0.868 115.549 114.554 0.211 0.000 2.864 440 T HA 0.654 5.004 4.350 0.001 0.000 0.310 440 T C 0.613 175.473 174.700 0.267 0.000 1.040 440 T CA 0.195 62.467 62.100 0.286 0.000 0.977 440 T CB 1.372 70.402 68.868 0.269 0.000 0.976 440 T HN 0.748 nan 8.240 nan 0.000 0.459 441 G N 1.207 110.159 108.800 0.253 0.000 2.597 441 G HA2 0.362 4.322 3.960 0.001 0.000 0.196 441 G HA3 0.362 4.322 3.960 0.001 0.000 0.196 441 G C 0.693 175.652 174.900 0.098 0.000 1.176 441 G CA 0.757 45.965 45.100 0.180 0.000 0.747 441 G HN 1.659 nan 8.290 nan 0.000 0.821 442 S N -0.208 115.587 115.700 0.158 0.000 1.467 442 S HA -0.280 4.190 4.470 0.001 0.000 0.243 442 S C 0.351 175.094 174.600 0.239 0.000 0.713 442 S CA 1.289 59.587 58.200 0.164 0.000 1.248 442 S CB -2.084 61.184 63.200 0.113 0.000 1.485 442 S HN 0.669 nan 8.310 nan 0.000 0.508 443 H N 2.681 121.802 119.070 0.085 0.000 3.008 443 H HA 0.416 4.972 4.556 0.001 0.000 0.268 443 H C 1.311 176.648 175.328 0.015 0.000 1.323 443 H CA 0.338 56.405 56.048 0.032 0.000 1.401 443 H CB 0.530 30.365 29.762 0.122 0.000 1.556 443 H HN 0.611 nan 8.280 nan 0.000 0.502 444 T N -1.152 113.420 114.554 0.030 0.000 3.044 444 T HA 0.082 4.432 4.350 0.001 0.000 0.260 444 T C 2.177 176.737 174.700 -0.232 0.000 1.019 444 T CA 0.188 62.253 62.100 -0.059 0.000 0.921 444 T CB 0.441 69.250 68.868 -0.099 0.000 1.053 444 T HN 0.551 nan 8.240 nan 0.000 0.533 445 G N 2.260 110.914 108.800 -0.244 0.000 2.574 445 G HA2 -0.176 3.784 3.960 0.001 0.000 0.220 445 G HA3 -0.176 3.784 3.960 0.001 0.000 0.220 445 G C 1.570 176.302 174.900 -0.281 0.000 1.173 445 G CA 0.864 45.779 45.100 -0.309 0.000 0.772 445 G HN 0.816 nan 8.290 nan 0.000 0.585 446 A N -1.789 120.953 122.820 -0.131 0.000 2.307 446 A HA 0.492 4.812 4.320 0.001 0.000 0.218 446 A C -0.114 177.570 177.584 0.168 0.000 1.228 446 A CA -0.032 52.013 52.037 0.014 0.000 0.857 446 A CB -0.519 18.535 19.000 0.090 0.000 0.897 446 A HN 0.638 nan 8.150 nan 0.000 0.495 447 W N -2.323 118.985 121.300 0.013 0.000 3.078 447 W HA -0.122 4.538 4.660 0.001 0.000 0.465 447 W C -0.719 175.822 176.519 0.037 0.000 1.856 447 W CA -0.487 56.866 57.345 0.012 0.000 0.459 447 W CB -0.871 28.586 29.460 -0.004 0.000 2.859 447 W HN 0.181 nan 8.180 nan 0.000 0.416 448 I N 3.829 124.582 120.570 0.305 0.000 2.339 448 I HA 0.484 4.654 4.170 0.001 0.000 0.290 448 I C 0.363 176.553 176.117 0.123 0.000 0.994 448 I CA -0.368 61.045 61.300 0.189 0.000 1.191 448 I CB 1.112 39.220 38.000 0.180 0.000 1.343 448 I HN 0.271 nan 8.210 nan 0.000 0.458 449 E N 4.430 124.629 120.200 -0.002 0.000 2.430 449 E HA 0.318 4.668 4.350 0.001 0.000 0.279 449 E C -1.509 175.004 176.600 -0.146 0.000 1.003 449 E CA -0.865 55.492 56.400 -0.071 0.000 0.801 449 E CB 1.643 31.310 29.700 -0.056 0.000 1.313 449 E HN 0.461 nan 8.360 nan 0.000 0.459 450 D N 0.736 121.037 120.400 -0.165 0.000 2.746 450 D HA -0.110 4.530 4.640 0.001 0.000 0.241 450 D C -0.674 175.514 176.300 -0.187 0.000 1.140 450 D CA 0.793 54.697 54.000 -0.161 0.000 0.707 450 D CB -1.037 39.686 40.800 -0.128 0.000 1.034 450 D HN 0.367 nan 8.370 nan 0.000 0.423 451 I N 0.771 121.203 120.570 -0.231 0.000 2.339 451 I HA 0.434 4.604 4.170 0.001 0.000 0.290 451 I C 0.360 176.403 176.117 -0.124 0.000 0.994 451 I CA -0.936 60.218 61.300 -0.244 0.000 1.191 451 I CB 1.315 39.073 38.000 -0.403 0.000 1.343 451 I HN 0.055 nan 8.210 nan 0.000 0.458 452 L N 6.660 127.878 121.223 -0.009 0.000 2.372 452 L HA 0.794 5.134 4.340 0.001 0.000 0.273 452 L C -0.450 176.552 176.870 0.220 0.000 0.989 452 L CA -0.254 54.627 54.840 0.067 0.000 0.841 452 L CB 1.452 43.511 42.059 0.000 0.000 1.225 452 L HN 0.671 nan 8.230 nan 0.000 0.414 453 A N 5.197 128.091 122.820 0.124 0.000 2.285 453 A HA 0.755 5.075 4.320 0.001 0.000 0.310 453 A C -0.749 176.806 177.584 -0.049 0.000 1.266 453 A CA -0.410 51.679 52.037 0.086 0.000 0.832 453 A CB 0.410 19.425 19.000 0.025 0.000 1.163 453 A HN 0.754 nan 8.150 nan 0.000 0.499 454 E N 1.167 121.414 120.200 0.079 0.000 2.393 454 E HA 0.549 4.899 4.350 0.001 0.000 0.273 454 E C -0.503 176.152 176.600 0.091 0.000 0.918 454 E CA -1.322 55.096 56.400 0.030 0.000 0.773 454 E CB 0.845 30.606 29.700 0.101 0.000 1.275 454 E HN 0.465 nan 8.360 nan 0.000 0.451 455 N N 0.699 119.442 118.700 0.071 0.000 2.740 455 N HA -0.156 4.584 4.740 0.001 0.000 0.248 455 N C -1.279 174.314 175.510 0.139 0.000 1.062 455 N CA 0.675 53.812 53.050 0.143 0.000 0.704 455 N CB -0.971 37.617 38.487 0.169 0.000 0.968 455 N HN 0.509 nan 8.380 nan 0.000 0.547 456 N N -0.368 118.384 118.700 0.087 0.000 2.404 456 N HA 0.612 5.352 4.740 0.001 0.000 0.297 456 N C -0.630 174.897 175.510 0.030 0.000 1.163 456 N CA -0.475 52.642 53.050 0.111 0.000 0.864 456 N CB 2.089 40.728 38.487 0.254 0.000 1.247 456 N HN -0.140 nan 8.380 nan 0.000 0.510 457 V N 1.662 121.567 119.914 -0.015 0.000 2.555 457 V HA 0.469 4.590 4.120 0.001 0.000 0.302 457 V C -0.685 175.266 176.094 -0.239 0.000 1.038 457 V CA -0.559 61.550 62.300 -0.318 0.000 0.887 457 V CB 1.634 33.124 31.823 -0.556 0.000 0.991 457 V HN 0.560 nan 8.190 nan 0.000 0.434 458 M N 5.513 124.972 119.600 -0.235 0.000 2.321 458 M HA 0.527 5.007 4.480 0.001 0.000 0.315 458 M C -1.228 175.119 176.300 0.079 0.000 1.052 458 M CA -0.330 54.925 55.300 -0.076 0.000 0.936 458 M CB 1.649 34.258 32.600 0.016 0.000 1.639 458 M HN 0.602 nan 8.290 nan 0.000 0.433 459 Y N 3.956 124.168 120.300 -0.147 0.000 2.332 459 Y HA 0.592 5.143 4.550 0.001 0.000 0.325 459 Y C -0.068 175.826 175.900 -0.010 0.000 1.054 459 Y CA -0.979 57.148 58.100 0.046 0.000 1.119 459 Y CB 0.890 39.468 38.460 0.197 0.000 1.168 459 Y HN 0.699 nan 8.280 nan 0.000 0.439 460 L N 2.689 123.661 121.223 -0.418 0.000 4.800 460 L HA -0.265 4.075 4.340 0.001 0.000 0.400 460 L C 0.384 177.130 176.870 -0.207 0.000 0.857 460 L CA 0.924 55.519 54.840 -0.409 0.000 1.908 460 L CB -1.950 39.785 42.059 -0.540 0.000 1.598 460 L HN 0.689 nan 8.230 nan 0.000 0.593 461 T N -0.119 114.353 114.554 -0.137 0.000 2.937 461 T HA 0.030 4.380 4.350 0.001 0.000 0.316 461 T C 1.014 175.671 174.700 -0.073 0.000 1.079 461 T CA 0.094 62.143 62.100 -0.085 0.000 1.131 461 T CB 1.045 69.868 68.868 -0.076 0.000 1.000 461 T HN 0.094 nan 8.240 nan 0.000 0.549 462 D N 0.595 120.965 120.400 -0.050 0.000 2.097 462 D HA 0.076 4.716 4.640 0.001 0.000 0.195 462 D C 0.539 176.797 176.300 -0.070 0.000 0.989 462 D CA 1.291 55.257 54.000 -0.057 0.000 0.827 462 D CB 0.073 40.841 40.800 -0.053 0.000 0.966 462 D HN 0.500 nan 8.370 nan 0.000 0.456 463 I N -1.601 118.918 120.570 -0.084 0.000 2.752 463 I HA 0.279 4.450 4.170 0.001 0.000 0.295 463 I C 1.164 177.195 176.117 -0.143 0.000 1.219 463 I CA -0.770 60.466 61.300 -0.107 0.000 1.030 463 I CB 2.577 40.511 38.000 -0.109 0.000 1.259 463 I HN -0.117 nan 8.210 nan 0.000 0.423 464 G N 4.389 113.088 108.800 -0.168 0.000 2.425 464 G HA2 0.042 4.003 3.960 0.001 0.000 0.213 464 G HA3 0.042 4.003 3.960 0.001 0.000 0.213 464 G C 0.031 174.711 174.900 -0.368 0.000 1.201 464 G CA 0.758 45.740 45.100 -0.197 0.000 0.799 464 G HN 0.330 nan 8.290 nan 0.000 0.534 465 L N -0.012 120.896 121.223 -0.525 0.000 2.376 465 L HA 0.769 5.110 4.340 0.001 0.000 0.275 465 L C -0.813 175.912 176.870 -0.241 0.000 0.987 465 L CA -1.196 53.377 54.840 -0.445 0.000 0.828 465 L CB 2.043 43.670 42.059 -0.720 0.000 1.249 465 L HN 0.101 nan 8.230 nan 0.000 0.409 466 R N 4.350 124.765 120.500 -0.140 0.000 2.393 466 R HA 0.880 5.220 4.340 0.001 0.000 0.315 466 R C -1.536 174.715 176.300 -0.082 0.000 0.952 466 R CA -0.093 55.940 56.100 -0.111 0.000 0.842 466 R CB 1.654 31.907 30.300 -0.079 0.000 1.163 466 R HN 0.728 nan 8.270 nan 0.000 0.450 467 A N 5.370 128.075 122.820 -0.192 0.000 2.319 467 A HA 0.642 4.963 4.320 0.001 0.000 0.310 467 A C -1.197 176.175 177.584 -0.355 0.000 1.152 467 A CA -0.793 51.027 52.037 -0.360 0.000 0.783 467 A CB 0.617 19.149 19.000 -0.781 0.000 1.184 467 A HN 0.787 nan 8.150 nan 0.000 0.474 468 K N 0.558 120.961 120.400 0.005 0.000 2.498 468 K HA 0.864 5.184 4.320 0.001 0.000 0.254 468 K C -0.839 176.034 176.600 0.455 0.000 0.933 468 K CA -0.602 55.819 56.287 0.223 0.000 0.806 468 K CB 2.146 34.719 32.500 0.122 0.000 1.301 468 K HN 0.508 nan 8.250 nan 0.000 0.432 469 S N 0.176 116.117 115.700 0.401 0.000 2.636 469 S HA 0.559 5.029 4.470 0.001 0.000 0.266 469 S C -1.708 172.969 174.600 0.128 0.000 1.147 469 S CA -0.367 57.960 58.200 0.211 0.000 0.815 469 S CB 1.794 65.020 63.200 0.044 0.000 1.119 469 S HN 0.918 nan 8.310 nan 0.000 0.470 470 T N -0.835 113.751 114.554 0.054 0.000 2.916 470 T HA 0.603 4.954 4.350 0.001 0.000 0.292 470 T C 1.156 175.833 174.700 -0.038 0.000 1.055 470 T CA 0.229 62.348 62.100 0.031 0.000 1.009 470 T CB 1.353 70.254 68.868 0.055 0.000 1.118 470 T HN 0.436 nan 8.240 nan 0.000 0.497 471 S N 0.928 116.598 115.700 -0.050 0.000 2.380 471 S HA -0.191 4.279 4.470 0.001 0.000 0.229 471 S C 2.091 176.626 174.600 -0.107 0.000 1.050 471 S CA 2.846 60.992 58.200 -0.089 0.000 1.100 471 S CB -1.155 61.967 63.200 -0.129 0.000 0.984 471 S HN 1.041 nan 8.310 nan 0.000 0.434 472 T N -0.206 114.295 114.554 -0.090 0.000 3.113 472 T HA 0.166 4.516 4.350 0.001 0.000 0.263 472 T C 1.589 176.336 174.700 0.079 0.000 1.143 472 T CA 0.616 62.704 62.100 -0.021 0.000 1.090 472 T CB -0.487 68.364 68.868 -0.029 0.000 0.922 472 T HN 0.438 nan 8.240 nan 0.000 0.521 473 I N 1.220 121.780 120.570 -0.017 0.000 2.439 473 I HA 0.194 4.365 4.170 0.001 0.000 0.251 473 I C 1.820 177.788 176.117 -0.250 0.000 1.139 473 I CA 0.730 61.921 61.300 -0.182 0.000 1.438 473 I CB -1.088 36.810 38.000 -0.170 0.000 1.085 473 I HN 0.621 nan 8.210 nan 0.000 0.427 474 G N 0.240 108.897 108.800 -0.238 0.000 2.828 474 G HA2 0.043 4.003 3.960 0.001 0.000 0.463 474 G HA3 0.043 4.003 3.960 0.001 0.000 0.463 474 G C 0.483 175.083 174.900 -0.500 0.000 1.394 474 G CA -0.439 44.476 45.100 -0.309 0.000 0.862 474 G HN 0.877 nan 8.290 nan 0.000 0.540 475 G N -1.061 107.316 108.800 -0.706 0.000 2.565 475 G HA2 0.410 4.370 3.960 0.001 0.000 0.295 475 G HA3 0.410 4.370 3.960 0.001 0.000 0.295 475 G C 1.272 175.119 174.900 -1.754 0.000 1.165 475 G CA 2.110 46.320 45.100 -1.482 0.000 0.977 475 G HN 3.312 nan 8.290 nan 0.000 0.546 476 G N -1.696 106.321 108.800 -1.305 0.000 2.247 476 G HA2 0.605 4.565 3.960 0.001 0.000 0.229 476 G HA3 0.605 4.565 3.960 0.001 0.000 0.229 476 G C -0.382 174.445 174.900 -0.120 0.000 1.345 476 G CA 1.199 45.819 45.100 -0.800 0.000 1.100 476 G HN 2.801 nan 8.290 nan 0.000 0.473 477 A N -0.281 122.735 122.820 0.327 0.000 2.549 477 A HA 1.013 5.333 4.320 0.001 0.000 0.297 477 A C -0.276 177.624 177.584 0.526 0.000 1.061 477 A CA 0.455 52.839 52.037 0.578 0.000 0.690 477 A CB 1.666 21.084 19.000 0.697 0.000 1.287 477 A HN 1.856 nan 8.150 nan 0.000 0.402 478 R N 0.967 121.559 120.500 0.154 0.000 2.716 478 R HA 0.628 4.968 4.340 0.001 0.000 0.271 478 R C -0.519 175.663 176.300 -0.197 0.000 1.028 478 R CA -0.636 55.385 56.100 -0.133 0.000 0.883 478 R CB 0.580 30.520 30.300 -0.600 0.000 1.250 478 R HN 0.858 nan 8.270 nan 0.000 0.465 479 N N -0.191 118.407 118.700 -0.172 0.000 2.696 479 N HA -0.141 4.600 4.740 0.001 0.000 0.256 479 N C -1.675 173.674 175.510 -0.268 0.000 1.031 479 N CA 0.709 53.663 53.050 -0.159 0.000 0.730 479 N CB -0.442 37.971 38.487 -0.124 0.000 0.894 479 N HN 0.449 nan 8.380 nan 0.000 0.544 480 V N 1.239 120.872 119.914 -0.469 0.000 2.384 480 V HA 0.493 4.613 4.120 0.001 0.000 0.287 480 V C 0.457 176.354 176.094 -0.329 0.000 1.020 480 V CA -0.394 61.570 62.300 -0.559 0.000 0.850 480 V CB 1.943 33.106 31.823 -1.101 0.000 0.987 480 V HN 0.323 nan 8.190 nan 0.000 0.436 481 T N 5.826 120.295 114.554 -0.141 0.000 2.792 481 T HA 0.519 4.869 4.350 0.001 0.000 0.280 481 T C -0.924 173.829 174.700 0.088 0.000 0.990 481 T CA -0.163 61.931 62.100 -0.010 0.000 0.960 481 T CB 0.919 69.776 68.868 -0.018 0.000 0.939 481 T HN 0.440 nan 8.240 nan 0.000 0.439 482 F N 5.812 125.742 119.950 -0.033 0.000 2.434 482 F HA 0.592 5.120 4.527 0.001 0.000 0.355 482 F C 0.136 175.932 175.800 -0.007 0.000 1.115 482 F CA -0.789 57.203 58.000 -0.013 0.000 1.010 482 F CB 0.545 39.537 39.000 -0.013 0.000 1.234 482 F HN 0.555 nan 8.300 nan 0.000 0.439 483 R N 3.220 123.622 120.500 -0.164 0.000 2.799 483 R HA 0.498 4.838 4.340 0.001 0.000 0.270 483 R C -0.771 175.398 176.300 -0.218 0.000 1.010 483 R CA -0.932 55.102 56.100 -0.110 0.000 0.916 483 R CB 0.977 31.254 30.300 -0.038 0.000 1.228 483 R HN 0.469 nan 8.270 nan 0.000 0.469 484 N N -0.031 118.478 118.700 -0.318 0.000 2.740 484 N HA -0.192 4.548 4.740 0.001 0.000 0.248 484 N C -1.579 173.796 175.510 -0.225 0.000 1.062 484 N CA 1.266 54.017 53.050 -0.499 0.000 0.704 484 N CB -1.434 36.992 38.487 -0.102 0.000 0.968 484 N HN 0.755 nan 8.380 nan 0.000 0.547 485 N N -0.374 118.189 118.700 -0.228 0.000 2.292 485 N HA 0.774 5.515 4.740 0.001 0.000 0.303 485 N C -0.771 174.768 175.510 0.048 0.000 1.140 485 N CA -0.615 52.374 53.050 -0.101 0.000 0.788 485 N CB 1.735 40.021 38.487 -0.334 0.000 1.361 485 N HN 0.224 nan 8.380 nan 0.000 0.489 486 A N 1.672 124.535 122.820 0.071 0.000 2.371 486 A HA 0.808 5.128 4.320 0.001 0.000 0.311 486 A C -0.992 176.657 177.584 0.109 0.000 1.068 486 A CA -0.546 51.589 52.037 0.162 0.000 0.744 486 A CB 0.774 19.920 19.000 0.244 0.000 1.239 486 A HN 0.592 nan 8.150 nan 0.000 0.435 487 M N 1.892 121.716 119.600 0.373 0.000 2.386 487 M HA 0.548 5.029 4.480 0.001 0.000 0.293 487 M C -0.543 176.051 176.300 0.490 0.000 1.120 487 M CA -0.400 55.125 55.300 0.374 0.000 0.909 487 M CB 2.674 35.409 32.600 0.225 0.000 1.661 487 M HN 0.801 nan 8.290 nan 0.000 0.452 488 R N 1.394 122.205 120.500 0.519 0.000 2.621 488 R HA 0.349 4.689 4.340 0.001 0.000 0.284 488 R C -1.214 175.240 176.300 0.256 0.000 0.998 488 R CA -0.158 56.143 56.100 0.336 0.000 0.895 488 R CB 1.250 31.661 30.300 0.185 0.000 1.195 488 R HN 0.832 nan 8.270 nan 0.000 0.450 489 D N 2.724 123.198 120.400 0.124 0.000 2.723 489 D HA -0.184 4.456 4.640 0.001 0.000 0.236 489 D C -0.341 175.933 176.300 -0.044 0.000 1.138 489 D CA 0.904 54.916 54.000 0.020 0.000 0.676 489 D CB -0.880 39.910 40.800 -0.017 0.000 1.069 489 D HN 0.457 nan 8.370 nan 0.000 0.430 490 L N -0.190 121.033 121.223 -0.001 0.000 2.490 490 L HA 0.181 4.521 4.340 0.001 0.000 0.274 490 L C 1.932 178.771 176.870 -0.051 0.000 1.201 490 L CA 0.369 55.192 54.840 -0.029 0.000 0.869 490 L CB 0.561 42.616 42.059 -0.008 0.000 1.123 490 L HN 0.166 nan 8.230 nan 0.000 0.484 491 A N 3.614 126.393 122.820 -0.069 0.000 2.016 491 A HA -0.039 4.282 4.320 0.001 0.000 0.217 491 A C 1.818 179.369 177.584 -0.056 0.000 1.162 491 A CA 1.040 53.038 52.037 -0.065 0.000 0.662 491 A CB 0.031 18.990 19.000 -0.069 0.000 0.812 491 A HN 0.875 nan 8.150 nan 0.000 0.450 492 K N -1.875 118.491 120.400 -0.057 0.000 2.469 492 K HA 0.309 4.629 4.320 0.001 0.000 0.228 492 K C -0.091 176.478 176.600 -0.051 0.000 1.266 492 K CA 0.223 56.475 56.287 -0.058 0.000 0.775 492 K CB 0.364 32.822 32.500 -0.070 0.000 1.582 492 K HN 0.412 nan 8.250 nan 0.000 0.415 493 Q N -0.180 119.587 119.800 -0.056 0.000 2.534 493 Q HA 0.259 4.600 4.340 0.001 0.000 0.290 493 Q C 0.460 176.423 176.000 -0.062 0.000 0.991 493 Q CA -0.527 55.244 55.803 -0.053 0.000 0.783 493 Q CB 2.502 31.203 28.738 -0.062 0.000 1.470 493 Q HN -0.106 nan 8.270 nan 0.000 0.406 494 V N -0.181 119.698 119.914 -0.058 0.000 2.331 494 V HA 0.116 4.237 4.120 0.001 0.000 0.242 494 V C 0.524 176.522 176.094 -0.160 0.000 1.034 494 V CA 1.250 63.504 62.300 -0.077 0.000 1.027 494 V CB 0.075 31.874 31.823 -0.039 0.000 0.667 494 V HN 0.728 nan 8.190 nan 0.000 0.457 495 M N 0.268 119.785 119.600 -0.139 0.000 2.277 495 M HA 0.573 5.054 4.480 0.001 0.000 0.282 495 M C -2.385 173.835 176.300 -0.134 0.000 1.074 495 M CA -0.259 54.934 55.300 -0.179 0.000 0.954 495 M CB 2.309 34.809 32.600 -0.166 0.000 1.672 495 M HN -0.041 nan 8.290 nan 0.000 0.471 496 V N 5.803 125.621 119.914 -0.160 0.000 2.525 496 V HA 0.520 4.640 4.120 0.001 0.000 0.299 496 V C -0.733 175.223 176.094 -0.230 0.000 1.034 496 V CA -0.477 61.731 62.300 -0.152 0.000 0.863 496 V CB 1.940 33.697 31.823 -0.111 0.000 0.999 496 V HN 0.939 nan 8.190 nan 0.000 0.423 497 M N 4.838 124.256 119.600 -0.304 0.000 2.078 497 M HA 0.560 5.041 4.480 0.001 0.000 0.320 497 M C -0.321 175.807 176.300 -0.287 0.000 0.969 497 M CA -0.308 54.692 55.300 -0.500 0.000 0.929 497 M CB 2.002 34.108 32.600 -0.824 0.000 1.504 497 M HN 0.766 nan 8.290 nan 0.000 0.419 498 T N 1.600 116.125 114.554 -0.049 0.000 2.861 498 T HA 0.739 5.090 4.350 0.001 0.000 0.287 498 T C -0.912 174.023 174.700 0.391 0.000 1.003 498 T CA -0.824 61.388 62.100 0.187 0.000 0.977 498 T CB 1.911 70.842 68.868 0.104 0.000 0.996 498 T HN 0.712 nan 8.240 nan 0.000 0.448 499 L N 2.842 124.289 121.223 0.374 0.000 2.406 499 L HA 0.464 4.805 4.340 0.001 0.000 0.270 499 L C -1.347 175.615 176.870 0.153 0.000 0.982 499 L CA -0.748 54.240 54.840 0.246 0.000 0.843 499 L CB 1.549 43.662 42.059 0.090 0.000 1.225 499 L HN 0.775 nan 8.230 nan 0.000 0.412 500 D N 2.540 123.021 120.400 0.135 0.000 2.253 500 D HA 0.228 4.868 4.640 0.001 0.000 0.249 500 D C -0.659 175.728 176.300 0.145 0.000 1.049 500 D CA 0.138 54.214 54.000 0.127 0.000 0.929 500 D CB 1.173 42.037 40.800 0.106 0.000 1.176 500 D HN 0.213 nan 8.370 nan 0.000 0.437 501 Y N 0.293 120.600 120.300 0.012 0.000 2.307 501 Y HA 0.465 5.015 4.550 0.001 0.000 0.324 501 Y C 0.376 176.283 175.900 0.012 0.000 1.238 501 Y CA -0.307 57.791 58.100 -0.002 0.000 1.280 501 Y CB 0.921 39.380 38.460 -0.003 0.000 1.248 501 Y HN 0.456 nan 8.280 nan 0.000 0.508 502 A N 2.310 124.960 122.820 -0.285 0.000 3.389 502 A HA 0.546 4.866 4.320 0.001 0.000 0.179 502 A C -0.921 176.097 177.584 -0.944 0.000 0.848 502 A CA 0.118 51.776 52.037 -0.632 0.000 1.090 502 A CB 0.516 19.417 19.000 -0.166 0.000 1.808 502 A HN 0.640 nan 8.150 nan 0.000 0.715 503 D N -2.454 117.676 120.400 -0.450 0.000 3.455 503 D HA 0.328 4.968 4.640 0.001 0.000 0.320 503 D C 0.224 176.422 176.300 -0.170 0.000 1.401 503 D CA 0.324 54.142 54.000 -0.304 0.000 0.982 503 D CB 0.884 41.610 40.800 -0.123 0.000 1.397 503 D HN 0.159 nan 8.370 nan 0.000 0.607 504 S N 0.170 115.809 115.700 -0.101 0.000 2.803 504 S HA -0.008 4.463 4.470 0.001 0.000 0.226 504 S C 0.797 175.362 174.600 -0.058 0.000 0.962 504 S CA 0.099 58.253 58.200 -0.077 0.000 0.968 504 S CB -0.744 62.426 63.200 -0.051 0.000 0.786 504 S HN 0.272 nan 8.310 nan 0.000 0.527 505 N N 2.068 120.733 118.700 -0.059 0.000 2.567 505 N HA 0.174 4.915 4.740 0.001 0.000 0.195 505 N C 0.118 175.596 175.510 -0.053 0.000 1.242 505 N CA 0.145 53.171 53.050 -0.039 0.000 0.884 505 N CB 0.067 38.542 38.487 -0.019 0.000 1.007 505 N HN 0.398 nan 8.380 nan 0.000 0.450 506 A N 0.347 123.119 122.820 -0.080 0.000 2.274 506 A HA 0.380 4.700 4.320 0.001 0.000 0.309 506 A C -0.367 177.163 177.584 -0.090 0.000 1.226 506 A CA -0.660 51.318 52.037 -0.099 0.000 0.853 506 A CB 0.200 19.108 19.000 -0.153 0.000 1.146 506 A HN 0.259 nan 8.150 nan 0.000 0.518 507 N N 2.092 120.750 118.700 -0.070 0.000 2.868 507 N HA 0.373 5.113 4.740 0.001 0.000 0.252 507 N C -1.089 174.366 175.510 -0.091 0.000 1.130 507 N CA 0.009 53.021 53.050 -0.062 0.000 1.026 507 N CB 0.370 38.840 38.487 -0.027 0.000 1.335 507 N HN 0.446 nan 8.380 nan 0.000 0.516 508 I N 1.020 121.488 120.570 -0.169 0.000 2.499 508 I HA 0.167 4.338 4.170 0.001 0.000 0.288 508 I C 0.539 176.456 176.117 -0.334 0.000 1.048 508 I CA -0.579 60.522 61.300 -0.333 0.000 1.062 508 I CB 2.020 39.690 38.000 -0.550 0.000 1.238 508 I HN 0.387 nan 8.210 nan 0.000 0.426 509 D N 4.243 124.492 120.400 -0.252 0.000 2.249 509 D HA -0.048 4.592 4.640 0.001 0.000 0.205 509 D C 0.190 176.474 176.300 -0.027 0.000 0.962 509 D CA 1.174 55.135 54.000 -0.065 0.000 0.860 509 D CB 0.362 41.219 40.800 0.094 0.000 0.955 509 D HN 0.536 nan 8.370 nan 0.000 0.505 510 Y N 0.265 120.563 120.300 -0.004 0.000 2.354 510 Y HA 0.565 5.116 4.550 0.001 0.000 0.322 510 Y C -2.491 173.352 175.900 -0.095 0.000 1.253 510 Y CA -3.148 54.917 58.100 -0.059 0.000 1.272 510 Y CB -0.722 37.669 38.460 -0.115 0.000 1.255 510 Y HN -0.301 nan 8.280 nan 0.000 0.500 511 P HA 0.139 nan 4.420 nan 0.000 0.271 511 P C -2.549 174.763 177.300 0.020 0.000 1.220 511 P CA -1.090 61.981 63.100 -0.048 0.000 0.768 511 P CB 0.276 31.941 31.700 -0.058 0.000 0.848 512 P HA 0.006 nan 4.420 nan 0.000 0.267 512 P C -0.441 176.848 177.300 -0.018 0.000 1.200 512 P CA 0.130 63.228 63.100 -0.003 0.000 0.772 512 P CB 0.483 32.136 31.700 -0.078 0.000 0.855 513 A N 3.215 126.018 122.820 -0.028 0.000 2.354 513 A HA 0.202 4.523 4.320 0.001 0.000 0.269 513 A C 1.360 178.907 177.584 -0.060 0.000 1.109 513 A CA -0.300 51.696 52.037 -0.069 0.000 0.800 513 A CB 0.234 19.166 19.000 -0.114 0.000 1.045 513 A HN 0.369 nan 8.150 nan 0.000 0.489 514 K N 1.391 121.760 120.400 -0.051 0.000 2.062 514 K HA 0.060 4.381 4.320 0.001 0.000 0.205 514 K C 0.275 176.857 176.600 -0.031 0.000 1.051 514 K CA 1.250 57.517 56.287 -0.034 0.000 0.941 514 K CB -0.408 32.079 32.500 -0.021 0.000 0.719 514 K HN 0.730 nan 8.250 nan 0.000 0.440 515 I N 3.621 124.170 120.570 -0.035 0.000 2.315 515 I HA 0.141 4.311 4.170 0.001 0.000 0.291 515 I C -2.295 173.773 176.117 -0.081 0.000 1.006 515 I CA -2.386 58.894 61.300 -0.033 0.000 1.265 515 I CB 1.090 39.097 38.000 0.012 0.000 1.387 515 I HN -0.135 nan 8.210 nan 0.000 0.475 516 P HA 0.096 nan 4.420 nan 0.000 0.269 516 P C -0.409 176.774 177.300 -0.195 0.000 1.215 516 P CA -0.412 62.614 63.100 -0.123 0.000 0.780 516 P CB 0.543 32.189 31.700 -0.090 0.000 0.898 517 A N 2.605 125.275 122.820 -0.251 0.000 2.546 517 A HA 0.263 4.583 4.320 0.001 0.000 0.243 517 A C 0.321 177.671 177.584 -0.389 0.000 1.063 517 A CA 0.263 52.068 52.037 -0.387 0.000 0.757 517 A CB -0.533 18.247 19.000 -0.366 0.000 0.991 517 A HN 0.597 nan 8.150 nan 0.000 0.503 518 Q N 1.149 120.683 119.800 -0.444 0.000 2.421 518 Q HA 0.759 5.099 4.340 0.001 0.000 0.280 518 Q C -1.865 173.919 176.000 -0.360 0.000 1.085 518 Q CA -0.676 54.959 55.803 -0.281 0.000 0.807 518 Q CB 1.616 30.393 28.738 0.065 0.000 1.405 518 Q HN 0.443 nan 8.270 nan 0.000 0.419 519 F N 1.623 121.704 119.950 0.219 0.000 2.482 519 F HA 0.628 5.156 4.527 0.001 0.000 0.331 519 F C -0.724 175.290 175.800 0.356 0.000 1.115 519 F CA -0.567 57.576 58.000 0.238 0.000 0.955 519 F CB 1.461 40.463 39.000 0.003 0.000 1.136 519 F HN 0.609 nan 8.300 nan 0.000 0.452 520 Y N -0.824 119.803 120.300 0.545 0.000 2.656 520 Y HA 0.543 5.093 4.550 0.001 0.000 0.334 520 Y C -0.613 175.581 175.900 0.490 0.000 1.179 520 Y CA -2.349 55.997 58.100 0.409 0.000 1.050 520 Y CB 0.917 39.544 38.460 0.278 0.000 1.308 520 Y HN 0.483 nan 8.280 nan 0.000 0.456 521 D N 0.426 121.162 120.400 0.559 0.000 2.760 521 D HA -0.192 4.448 4.640 0.001 0.000 0.244 521 D C -1.890 174.627 176.300 0.362 0.000 1.123 521 D CA 0.849 55.099 54.000 0.416 0.000 0.719 521 D CB -1.244 39.763 40.800 0.344 0.000 1.045 521 D HN 0.537 nan 8.370 nan 0.000 0.426 522 F N 0.416 120.412 119.950 0.078 0.000 2.436 522 F HA 0.510 5.037 4.527 0.001 0.000 0.340 522 F C 0.982 176.822 175.800 0.067 0.000 1.113 522 F CA -0.370 57.659 58.000 0.049 0.000 1.022 522 F CB 2.097 41.096 39.000 -0.002 0.000 1.128 522 F HN -0.168 nan 8.300 nan 0.000 0.466 523 T N 5.215 119.887 114.554 0.197 0.000 2.809 523 T HA 0.472 4.822 4.350 0.001 0.000 0.284 523 T C -1.251 173.550 174.700 0.167 0.000 0.992 523 T CA -0.398 61.815 62.100 0.188 0.000 0.957 523 T CB 0.970 69.927 68.868 0.147 0.000 0.942 523 T HN 0.350 nan 8.240 nan 0.000 0.439 524 L N 4.421 125.743 121.223 0.165 0.000 2.318 524 L HA 0.622 4.962 4.340 0.001 0.000 0.277 524 L C -0.481 176.477 176.870 0.147 0.000 1.008 524 L CA -0.094 54.856 54.840 0.183 0.000 0.846 524 L CB 0.504 42.657 42.059 0.157 0.000 1.220 524 L HN 0.418 nan 8.230 nan 0.000 0.423 525 K N 3.620 124.094 120.400 0.124 0.000 2.468 525 K HA 0.438 4.759 4.320 0.001 0.000 0.252 525 K C -0.602 175.999 176.600 0.002 0.000 0.932 525 K CA -0.709 55.618 56.287 0.066 0.000 0.794 525 K CB 1.426 33.954 32.500 0.047 0.000 1.241 525 K HN 0.604 nan 8.250 nan 0.000 0.428 526 N N 0.461 119.152 118.700 -0.015 0.000 2.727 526 N HA -0.150 4.590 4.740 0.001 0.000 0.251 526 N C -1.295 174.091 175.510 -0.207 0.000 1.040 526 N CA 0.605 53.591 53.050 -0.106 0.000 0.712 526 N CB -1.218 37.163 38.487 -0.176 0.000 0.912 526 N HN 0.181 nan 8.380 nan 0.000 0.545 527 V N 0.112 119.997 119.914 -0.048 0.000 2.604 527 V HA 0.719 4.839 4.120 0.001 0.000 0.305 527 V C 0.514 176.630 176.094 0.035 0.000 1.043 527 V CA -0.452 61.858 62.300 0.016 0.000 0.888 527 V CB 2.297 34.211 31.823 0.151 0.000 0.995 527 V HN 0.423 nan 8.190 nan 0.000 0.429 528 T N 1.410 116.009 114.554 0.075 0.000 2.876 528 T HA 0.846 5.196 4.350 0.001 0.000 0.289 528 T C -0.997 173.831 174.700 0.214 0.000 1.014 528 T CA -0.761 61.367 62.100 0.045 0.000 0.986 528 T CB 1.823 70.601 68.868 -0.150 0.000 1.021 528 T HN 0.360 nan 8.240 nan 0.000 0.458 529 V N 2.091 122.184 119.914 0.298 0.000 2.569 529 V HA 0.550 4.671 4.120 0.001 0.000 0.301 529 V C -1.192 175.122 176.094 0.367 0.000 1.044 529 V CA -0.756 61.724 62.300 0.301 0.000 0.874 529 V CB 1.779 33.702 31.823 0.166 0.000 1.002 529 V HN 1.067 nan 8.190 nan 0.000 0.424 530 D N 4.613 125.182 120.400 0.282 0.000 2.453 530 D HA 0.465 5.106 4.640 0.001 0.000 0.238 530 D C -0.314 176.008 176.300 0.035 0.000 1.088 530 D CA 0.022 54.062 54.000 0.065 0.000 0.854 530 D CB 0.593 41.375 40.800 -0.030 0.000 1.076 530 D HN 0.601 nan 8.370 nan 0.000 0.533 531 N N 1.982 120.683 118.700 0.002 0.000 4.073 531 N HA -0.185 4.555 4.740 0.001 0.000 0.298 531 N C -1.875 173.646 175.510 0.017 0.000 2.176 531 N CA 0.524 53.574 53.050 -0.001 0.000 2.735 531 N CB -0.441 38.041 38.487 -0.009 0.000 0.403 531 N HN 0.146 nan 8.380 nan 0.000 0.602 532 S N 1.989 117.692 115.700 0.005 0.000 2.756 532 S HA 0.509 4.979 4.470 0.001 0.000 0.303 532 S C 1.025 175.615 174.600 -0.016 0.000 1.135 532 S CA 0.166 58.364 58.200 -0.004 0.000 1.066 532 S CB 0.453 63.653 63.200 0.000 0.000 1.008 532 S HN 0.691 nan 8.310 nan 0.000 0.482 533 T N 1.747 116.286 114.554 -0.026 0.000 3.148 533 T HA 0.277 4.627 4.350 0.001 0.000 0.253 533 T C 0.979 175.660 174.700 -0.032 0.000 1.134 533 T CA 0.156 62.238 62.100 -0.029 0.000 1.051 533 T CB -0.221 68.628 68.868 -0.032 0.000 0.959 533 T HN 0.627 nan 8.240 nan 0.000 0.525 534 G N 1.484 110.263 108.800 -0.035 0.000 2.539 534 G HA2 0.399 4.359 3.960 0.001 0.000 0.258 534 G HA3 0.399 4.359 3.960 0.001 0.000 0.258 534 G C 0.682 175.559 174.900 -0.038 0.000 1.202 534 G CA -0.803 44.274 45.100 -0.039 0.000 0.851 534 G HN 0.468 nan 8.290 nan 0.000 0.556 535 K N -0.239 120.138 120.400 -0.039 0.000 2.426 535 K HA 0.052 4.372 4.320 0.001 0.000 0.193 535 K C 0.402 176.972 176.600 -0.049 0.000 1.028 535 K CA -0.027 56.235 56.287 -0.042 0.000 1.047 535 K CB 0.073 32.550 32.500 -0.039 0.000 0.821 535 K HN 0.420 nan 8.250 nan 0.000 0.513 536 N N 2.071 120.742 118.700 -0.049 0.000 2.445 536 N HA 0.172 4.912 4.740 0.001 0.000 0.264 536 N C -2.731 172.745 175.510 -0.056 0.000 1.227 536 N CA -1.850 51.168 53.050 -0.054 0.000 0.963 536 N CB 0.672 39.129 38.487 -0.050 0.000 1.188 536 N HN -0.099 nan 8.380 nan 0.000 0.491 537 P HA -0.078 nan 4.420 nan 0.000 0.262 537 P C 0.334 177.606 177.300 -0.047 0.000 1.182 537 P CA 0.139 63.200 63.100 -0.066 0.000 0.761 537 P CB 0.608 32.263 31.700 -0.074 0.000 0.795 538 S N 4.419 120.102 115.700 -0.028 0.000 2.359 538 S HA -0.140 4.330 4.470 0.001 0.000 0.222 538 S C 0.797 175.390 174.600 -0.011 0.000 1.038 538 S CA 1.116 59.315 58.200 -0.003 0.000 1.051 538 S CB -0.793 62.440 63.200 0.055 0.000 0.944 538 S HN 0.385 nan 8.310 nan 0.000 0.433 539 I N 1.818 122.388 120.570 -0.000 0.000 2.330 539 I HA 0.420 4.591 4.170 0.001 0.000 0.289 539 I C -0.305 175.799 176.117 -0.021 0.000 1.001 539 I CA -0.239 61.066 61.300 0.009 0.000 1.193 539 I CB 1.517 39.567 38.000 0.084 0.000 1.345 539 I HN 0.393 nan 8.210 nan 0.000 0.461 540 E N 8.257 128.434 120.200 -0.038 0.000 2.216 540 E HA 0.579 4.930 4.350 0.001 0.000 0.260 540 E C -1.486 175.077 176.600 -0.062 0.000 0.880 540 E CA -0.518 55.854 56.400 -0.046 0.000 0.765 540 E CB 1.434 31.104 29.700 -0.050 0.000 1.174 540 E HN 0.531 nan 8.360 nan 0.000 0.417 541 I N 4.373 124.922 120.570 -0.035 0.000 2.466 541 I HA 0.462 4.632 4.170 0.001 0.000 0.289 541 I C -0.474 175.675 176.117 0.054 0.000 1.026 541 I CA -0.776 60.482 61.300 -0.069 0.000 1.078 541 I CB 1.848 39.829 38.000 -0.031 0.000 1.249 541 I HN 0.366 nan 8.210 nan 0.000 0.429 542 K N 3.760 124.240 120.400 0.133 0.000 2.543 542 K HA 0.709 5.030 4.320 0.001 0.000 0.255 542 K C -0.888 175.948 176.600 0.393 0.000 0.934 542 K CA -0.459 55.960 56.287 0.220 0.000 0.810 542 K CB 2.897 35.471 32.500 0.123 0.000 1.315 542 K HN 0.822 nan 8.250 nan 0.000 0.433 543 G N 0.843 109.806 108.800 0.271 0.000 3.187 543 G HA2 0.326 4.287 3.960 0.001 0.000 0.175 543 G HA3 0.326 4.287 3.960 0.001 0.000 0.175 543 G C -1.445 173.531 174.900 0.126 0.000 1.112 543 G CA -0.040 45.162 45.100 0.171 0.000 0.821 543 G HN 0.495 nan 8.290 nan 0.000 0.636 544 D N -1.040 119.420 120.400 0.101 0.000 2.634 544 D HA 0.263 4.904 4.640 0.001 0.000 0.236 544 D C 0.773 177.121 176.300 0.080 0.000 1.323 544 D CA -0.267 53.777 54.000 0.073 0.000 0.884 544 D CB 0.761 41.587 40.800 0.045 0.000 1.496 544 D HN 0.122 nan 8.370 nan 0.000 0.525 545 T N 0.282 114.922 114.554 0.143 0.000 2.867 545 T HA -0.026 4.325 4.350 0.001 0.000 0.268 545 T C 1.977 176.765 174.700 0.146 0.000 1.057 545 T CA 1.406 63.650 62.100 0.239 0.000 1.136 545 T CB 0.137 69.123 68.868 0.197 0.000 0.874 545 T HN 0.487 nan 8.240 nan 0.000 0.466 546 A N 2.494 125.344 122.820 0.050 0.000 1.881 546 A HA -0.221 4.100 4.320 0.001 0.000 0.219 546 A C 1.773 179.314 177.584 -0.071 0.000 1.215 546 A CA 2.089 54.121 52.037 -0.007 0.000 0.648 546 A CB -0.910 18.070 19.000 -0.032 0.000 0.832 546 A HN 0.635 nan 8.150 nan 0.000 0.455 547 N N -0.411 118.178 118.700 -0.184 0.000 2.375 547 N HA 0.176 4.916 4.740 0.001 0.000 0.220 547 N C -0.271 175.068 175.510 -0.285 0.000 1.170 547 N CA 0.078 52.875 53.050 -0.422 0.000 0.833 547 N CB 0.086 37.978 38.487 -0.992 0.000 1.069 547 N HN 0.389 nan 8.380 nan 0.000 0.479 548 K N -1.006 119.345 120.400 -0.082 0.000 3.209 548 K HA -0.212 4.109 4.320 0.001 0.000 0.289 548 K C -0.687 175.625 176.600 -0.481 0.000 1.191 548 K CA 0.517 56.716 56.287 -0.146 0.000 0.851 548 K CB -1.424 30.958 32.500 -0.195 0.000 1.242 548 K HN 0.346 nan 8.250 nan 0.000 0.480 549 A N 0.987 123.683 122.820 -0.207 0.000 2.444 549 A HA 0.492 4.812 4.320 0.001 0.000 0.332 549 A C -0.469 177.058 177.584 -0.095 0.000 1.430 549 A CA -0.554 51.336 52.037 -0.244 0.000 0.975 549 A CB -0.267 18.683 19.000 -0.083 0.000 1.147 549 A HN 0.389 nan 8.150 nan 0.000 0.524 550 W N 1.667 122.895 121.300 -0.120 0.000 2.962 550 W HA 0.708 5.368 4.660 0.001 0.000 0.341 550 W C -0.658 175.734 176.519 -0.212 0.000 1.155 550 W CA -0.880 56.376 57.345 -0.148 0.000 1.165 550 W CB 0.570 30.020 29.460 -0.016 0.000 1.435 550 W HN 0.520 nan 8.180 nan 0.000 0.546 551 H N 1.781 121.089 119.070 0.396 0.000 2.488 551 H HA 0.642 5.198 4.556 0.001 0.000 0.347 551 H C -0.049 175.496 175.328 0.360 0.000 1.174 551 H CA -0.628 55.609 56.048 0.314 0.000 1.307 551 H CB 1.690 31.562 29.762 0.183 0.000 1.517 551 H HN 0.612 nan 8.280 nan 0.000 0.554 552 R N 0.345 121.096 120.500 0.418 0.000 2.710 552 R HA 0.306 4.646 4.340 0.001 0.000 0.270 552 R C -1.019 175.413 176.300 0.219 0.000 1.021 552 R CA -0.919 55.359 56.100 0.298 0.000 0.889 552 R CB 1.037 31.527 30.300 0.317 0.000 1.243 552 R HN 0.649 nan 8.270 nan 0.000 0.464 553 L N 0.351 121.624 121.223 0.082 0.000 3.597 553 L HA -0.158 4.182 4.340 0.001 0.000 0.440 553 L C -0.892 175.753 176.870 -0.376 0.000 1.277 553 L CA 0.056 54.858 54.840 -0.064 0.000 0.852 553 L CB -1.293 40.881 42.059 0.192 0.000 1.708 553 L HN 0.403 nan 8.230 nan 0.000 0.885 554 V N 0.402 120.090 119.914 -0.377 0.000 2.383 554 V HA 0.342 4.462 4.120 0.001 0.000 0.275 554 V C 0.497 176.227 176.094 -0.606 0.000 1.036 554 V CA -0.378 61.694 62.300 -0.381 0.000 0.889 554 V CB 1.274 32.989 31.823 -0.180 0.000 0.985 554 V HN 0.181 nan 8.190 nan 0.000 0.459 555 H N 4.016 123.048 119.070 -0.063 0.000 2.685 555 H HA 0.477 5.033 4.556 0.001 0.000 0.307 555 H C -0.828 174.449 175.328 -0.085 0.000 1.017 555 H CA -0.505 55.485 56.048 -0.097 0.000 1.237 555 H CB 1.774 31.527 29.762 -0.016 0.000 1.409 555 H HN 0.373 nan 8.280 nan 0.000 0.488 556 V N 4.829 124.690 119.914 -0.087 0.000 2.357 556 V HA 0.217 4.337 4.120 0.001 0.000 0.284 556 V C 0.098 176.258 176.094 0.111 0.000 1.018 556 V CA -0.701 61.623 62.300 0.040 0.000 0.841 556 V CB 1.135 33.029 31.823 0.119 0.000 0.991 556 V HN 0.721 nan 8.190 nan 0.000 0.437 557 N N 4.140 122.910 118.700 0.117 0.000 2.296 557 N HA 0.306 5.046 4.740 0.001 0.000 0.294 557 N C -0.336 175.234 175.510 0.100 0.000 1.033 557 N CA -0.559 52.557 53.050 0.109 0.000 0.839 557 N CB 1.738 40.272 38.487 0.078 0.000 1.395 557 N HN 0.728 nan 8.380 nan 0.000 0.479 558 N N 0.934 119.697 118.700 0.104 0.000 2.699 558 N HA -0.176 4.565 4.740 0.001 0.000 0.257 558 N C -2.013 173.529 175.510 0.053 0.000 1.077 558 N CA 0.393 53.488 53.050 0.076 0.000 0.702 558 N CB -0.970 37.553 38.487 0.061 0.000 0.886 558 N HN 0.258 nan 8.380 nan 0.000 0.549 559 V N 1.520 121.467 119.914 0.055 0.000 2.588 559 V HA 0.497 4.617 4.120 0.001 0.000 0.304 559 V C -0.113 175.955 176.094 -0.044 0.000 1.042 559 V CA -0.666 61.643 62.300 0.015 0.000 0.877 559 V CB 1.995 33.847 31.823 0.048 0.000 0.996 559 V HN 0.313 nan 8.190 nan 0.000 0.425 560 Q N 4.368 124.125 119.800 -0.071 0.000 2.322 560 Q HA 0.733 5.073 4.340 0.001 0.000 0.265 560 Q C -1.193 174.857 176.000 0.083 0.000 0.985 560 Q CA -0.170 55.612 55.803 -0.036 0.000 0.849 560 Q CB 2.342 31.017 28.738 -0.104 0.000 1.274 560 Q HN 0.637 nan 8.270 nan 0.000 0.449 561 L N 2.397 123.612 121.223 -0.013 0.000 2.343 561 L HA 0.554 4.895 4.340 0.001 0.000 0.278 561 L C -0.781 176.128 176.870 0.065 0.000 0.996 561 L CA -0.836 53.996 54.840 -0.015 0.000 0.831 561 L CB 1.718 43.581 42.059 -0.327 0.000 1.232 561 L HN 0.576 nan 8.230 nan 0.000 0.413 562 N N 2.945 121.690 118.700 0.074 0.000 2.372 562 N HA 0.340 5.080 4.740 0.001 0.000 0.291 562 N C -0.119 175.354 175.510 -0.062 0.000 1.024 562 N CA -0.228 52.769 53.050 -0.088 0.000 0.873 562 N CB 0.892 39.098 38.487 -0.467 0.000 1.206 562 N HN 0.479 nan 8.380 nan 0.000 0.486 563 N N 0.810 119.488 118.700 -0.037 0.000 2.756 563 N HA -0.145 4.596 4.740 0.001 0.000 0.248 563 N C -1.173 174.335 175.510 -0.002 0.000 1.062 563 N CA 1.149 54.183 53.050 -0.028 0.000 0.696 563 N CB -1.162 37.291 38.487 -0.055 0.000 0.946 563 N HN 0.420 nan 8.380 nan 0.000 0.548 564 V N -3.287 116.644 119.914 0.028 0.000 3.074 564 V HA 0.831 4.952 4.120 0.001 0.000 0.314 564 V C 0.916 177.030 176.094 0.032 0.000 1.117 564 V CA -0.358 61.963 62.300 0.036 0.000 1.014 564 V CB 1.939 33.801 31.823 0.064 0.000 1.057 564 V HN 0.248 nan 8.190 nan 0.000 0.438 565 T N -0.035 114.522 114.554 0.005 0.000 2.849 565 T HA 0.602 4.952 4.350 0.001 0.000 0.284 565 T C -2.550 172.120 174.700 -0.051 0.000 1.004 565 T CA -1.540 60.542 62.100 -0.030 0.000 1.021 565 T CB 0.782 69.621 68.868 -0.048 0.000 1.013 565 T HN 0.730 nan 8.240 nan 0.000 0.527 566 P HA 0.150 nan 4.420 nan 0.000 0.269 566 P C 0.512 177.726 177.300 -0.143 0.000 1.217 566 P CA -0.268 62.727 63.100 -0.174 0.000 0.783 566 P CB 0.072 31.752 31.700 -0.033 0.000 0.898 567 T N -1.803 112.621 114.554 -0.217 0.000 2.788 567 T HA 0.568 4.918 4.350 0.001 0.000 0.287 567 T C -0.200 174.433 174.700 -0.110 0.000 1.007 567 T CA -0.598 61.400 62.100 -0.170 0.000 1.005 567 T CB 0.370 69.074 68.868 -0.274 0.000 1.012 567 T HN 0.437 nan 8.240 nan 0.000 0.530 568 A N 1.785 124.539 122.820 -0.111 0.000 2.599 568 A HA 0.630 4.951 4.320 0.001 0.000 0.281 568 A C -0.642 176.898 177.584 -0.074 0.000 1.137 568 A CA -0.820 51.164 52.037 -0.088 0.000 0.767 568 A CB 0.376 19.330 19.000 -0.077 0.000 1.266 568 A HN 0.821 nan 8.150 nan 0.000 0.420 569 I N 1.931 122.434 120.570 -0.112 0.000 2.382 569 I HA 0.444 4.615 4.170 0.001 0.000 0.286 569 I C 0.035 176.221 176.117 0.115 0.000 1.002 569 I CA -0.037 61.251 61.300 -0.019 0.000 1.135 569 I CB 2.062 40.001 38.000 -0.102 0.000 1.288 569 I HN 0.488 nan 8.210 nan 0.000 0.448 570 S N 3.952 119.746 115.700 0.158 0.000 2.568 570 S HA 0.384 4.854 4.470 0.001 0.000 0.293 570 S C -0.741 174.017 174.600 0.264 0.000 1.089 570 S CA -0.571 57.743 58.200 0.191 0.000 0.945 570 S CB 1.641 64.932 63.200 0.151 0.000 1.077 570 S HN 0.734 nan 8.310 nan 0.000 0.485 571 D N 0.829 121.370 120.400 0.235 0.000 2.760 571 D HA -0.159 4.481 4.640 0.001 0.000 0.244 571 D C -0.968 175.541 176.300 0.348 0.000 1.123 571 D CA 0.600 54.767 54.000 0.277 0.000 0.719 571 D CB -0.954 40.018 40.800 0.287 0.000 1.045 571 D HN 0.292 nan 8.370 nan 0.000 0.426 572 L N -0.110 121.260 121.223 0.245 0.000 2.431 572 L HA 0.580 4.920 4.340 0.001 0.000 0.266 572 L C -0.914 176.021 176.870 0.108 0.000 0.978 572 L CA -0.439 54.559 54.840 0.263 0.000 0.822 572 L CB 1.829 44.077 42.059 0.314 0.000 1.310 572 L HN 0.064 nan 8.230 nan 0.000 0.409 573 R N 2.995 123.543 120.500 0.080 0.000 2.837 573 R HA 0.528 4.869 4.340 0.001 0.000 0.271 573 R C -1.260 175.051 176.300 0.017 0.000 0.993 573 R CA -0.782 55.300 56.100 -0.031 0.000 0.931 573 R CB 1.567 31.752 30.300 -0.191 0.000 1.206 573 R HN 0.773 nan 8.270 nan 0.000 0.474 574 D N 0.569 120.960 120.400 -0.016 0.000 2.705 574 D HA -0.135 4.505 4.640 0.001 0.000 0.240 574 D C -0.992 175.305 176.300 -0.006 0.000 1.137 574 D CA 1.112 55.114 54.000 0.002 0.000 0.677 574 D CB -0.849 39.967 40.800 0.026 0.000 1.049 574 D HN 0.430 nan 8.370 nan 0.000 0.427 575 S N 0.079 115.757 115.700 -0.036 0.000 2.618 575 S HA 0.636 5.106 4.470 0.001 0.000 0.277 575 S C -0.764 173.760 174.600 -0.126 0.000 1.138 575 S CA -1.014 57.109 58.200 -0.128 0.000 0.844 575 S CB 3.153 66.285 63.200 -0.114 0.000 1.127 575 S HN 0.322 nan 8.310 nan 0.000 0.474 576 E N 0.791 120.839 120.200 -0.253 0.000 2.352 576 E HA 0.427 4.778 4.350 0.001 0.000 0.280 576 E C -1.938 174.438 176.600 -0.373 0.000 0.930 576 E CA -0.670 55.627 56.400 -0.172 0.000 0.765 576 E CB 0.779 30.465 29.700 -0.023 0.000 1.219 576 E HN 0.401 nan 8.360 nan 0.000 0.434 577 F N 1.879 121.839 119.950 0.016 0.000 2.382 577 F HA 0.413 4.941 4.527 0.001 0.000 0.361 577 F C -0.053 175.802 175.800 0.092 0.000 1.109 577 F CA -0.760 57.294 58.000 0.091 0.000 1.031 577 F CB 1.248 40.278 39.000 0.049 0.000 1.234 577 F HN 0.162 nan 8.300 nan 0.000 0.445 578 N N 3.159 121.999 118.700 0.234 0.000 2.362 578 N HA 0.304 5.044 4.740 0.001 0.000 0.298 578 N C -0.354 175.277 175.510 0.202 0.000 1.048 578 N CA -0.901 52.260 53.050 0.185 0.000 0.858 578 N CB 1.816 40.370 38.487 0.112 0.000 1.218 578 N HN 0.450 nan 8.380 nan 0.000 0.488 579 K N -0.584 119.934 120.400 0.196 0.000 3.148 579 K HA -0.134 4.186 4.320 0.001 0.000 0.267 579 K C -0.942 175.772 176.600 0.191 0.000 0.996 579 K CA 0.297 56.687 56.287 0.173 0.000 0.737 579 K CB -1.381 31.190 32.500 0.119 0.000 1.308 579 K HN 0.272 nan 8.250 nan 0.000 0.470 580 V N 1.288 121.377 119.914 0.292 0.000 2.333 580 V HA 0.202 4.322 4.120 0.001 0.000 0.274 580 V C 0.530 176.752 176.094 0.212 0.000 1.028 580 V CA -0.403 62.049 62.300 0.253 0.000 0.851 580 V CB 1.618 33.746 31.823 0.508 0.000 1.000 580 V HN 0.228 nan 8.190 nan 0.000 0.456 581 T N 5.836 120.405 114.554 0.025 0.000 2.770 581 T HA 0.648 4.999 4.350 0.001 0.000 0.283 581 T C -0.623 174.023 174.700 -0.089 0.000 0.988 581 T CA -0.143 62.008 62.100 0.084 0.000 0.957 581 T CB 0.640 69.573 68.868 0.109 0.000 0.930 581 T HN 0.278 nan 8.240 nan 0.000 0.443 582 F N 2.598 122.557 119.950 0.015 0.000 2.420 582 F HA 0.575 5.102 4.527 0.001 0.000 0.342 582 F C 1.131 176.937 175.800 0.009 0.000 1.113 582 F CA -0.797 57.189 58.000 -0.022 0.000 1.059 582 F CB 1.565 40.485 39.000 -0.134 0.000 1.128 582 F HN 0.511 nan 8.300 nan 0.000 0.475 583 T N -0.878 113.770 114.554 0.156 0.000 2.907 583 T HA 0.412 4.763 4.350 0.001 0.000 0.292 583 T C -0.443 174.281 174.700 0.040 0.000 1.043 583 T CA -0.958 61.194 62.100 0.086 0.000 1.003 583 T CB 1.896 70.799 68.868 0.059 0.000 1.084 583 T HN 0.562 nan 8.240 nan 0.000 0.483 584 E N -0.072 120.137 120.200 0.015 0.000 2.297 584 E HA -0.180 4.170 4.350 0.001 0.000 0.228 584 E C -0.274 176.332 176.600 0.009 0.000 1.213 584 E CA 0.060 56.456 56.400 -0.006 0.000 0.712 584 E CB -1.414 28.260 29.700 -0.043 0.000 1.202 584 E HN 0.706 nan 8.360 nan 0.000 0.376 585 L N 0.824 122.063 121.223 0.027 0.000 2.513 585 L HA -0.008 4.333 4.340 0.001 0.000 0.272 585 L C 1.079 177.943 176.870 -0.009 0.000 1.187 585 L CA 0.737 55.589 54.840 0.019 0.000 0.895 585 L CB 0.361 42.409 42.059 -0.018 0.000 1.147 585 L HN 0.051 nan 8.230 nan 0.000 0.483 586 R N 4.858 125.351 120.500 -0.012 0.000 4.138 586 R HA 0.430 4.770 4.340 0.001 0.000 0.206 586 R C 0.013 176.291 176.300 -0.037 0.000 1.667 586 R CA 0.411 56.497 56.100 -0.024 0.000 1.481 586 R CB -0.376 29.910 30.300 -0.023 0.000 1.388 586 R HN 0.967 nan 8.270 nan 0.000 0.776 587 G N -0.202 108.576 108.800 -0.037 0.000 2.333 587 G HA2 -0.083 3.878 3.960 0.001 0.000 0.288 587 G HA3 -0.083 3.878 3.960 0.001 0.000 0.288 587 G C -0.654 174.226 174.900 -0.032 0.000 1.286 587 G CA -0.579 44.499 45.100 -0.037 0.000 0.865 587 G HN 0.172 nan 8.290 nan 0.000 0.506 588 D N -0.325 120.065 120.400 -0.017 0.000 2.431 588 D HA 0.201 4.842 4.640 0.001 0.000 0.235 588 D C 1.346 177.619 176.300 -0.045 0.000 0.980 588 D CA 1.905 55.895 54.000 -0.017 0.000 0.912 588 D CB 0.614 41.416 40.800 0.003 0.000 1.056 588 D HN 0.730 nan 8.370 nan 0.000 0.494 589 T N -1.717 112.801 114.554 -0.060 0.000 2.912 589 T HA 0.380 4.730 4.350 0.001 0.000 0.299 589 T C -2.399 172.093 174.700 -0.345 0.000 1.052 589 T CA -1.612 60.380 62.100 -0.180 0.000 0.996 589 T CB 3.243 72.006 68.868 -0.176 0.000 1.070 589 T HN -0.295 nan 8.240 nan 0.000 0.465 590 P HA 0.064 nan 4.420 nan 0.000 0.218 590 P C -0.161 176.514 177.300 -1.042 0.000 1.152 590 P CA 0.600 63.004 63.100 -1.161 0.000 0.826 590 P CB 0.057 30.448 31.700 -2.182 0.000 0.790 591 W N 0.772 121.705 121.300 -0.611 0.000 2.332 591 W HA 0.294 4.954 4.660 0.001 0.000 0.306 591 W C 0.021 176.105 176.519 -0.724 0.000 1.149 591 W CA -0.509 56.494 57.345 -0.569 0.000 1.271 591 W CB 0.221 29.550 29.460 -0.219 0.000 1.243 591 W HN 0.068 nan 8.180 nan 0.000 0.459 592 H N 2.987 121.916 119.070 -0.234 0.000 2.970 592 H HA 0.370 4.926 4.556 0.001 0.000 0.315 592 H C -1.055 174.093 175.328 -0.300 0.000 0.992 592 H CA -0.617 55.333 56.048 -0.163 0.000 1.363 592 H CB 0.794 30.471 29.762 -0.141 0.000 1.532 592 H HN 0.248 nan 8.280 nan 0.000 0.514 593 F N 1.744 121.753 119.950 0.099 0.000 2.508 593 F HA 0.612 5.139 4.527 0.001 0.000 0.325 593 F C 0.086 175.917 175.800 0.051 0.000 1.090 593 F CA -0.635 57.397 58.000 0.054 0.000 0.945 593 F CB 2.113 41.108 39.000 -0.008 0.000 1.156 593 F HN 0.485 nan 8.300 nan 0.000 0.463 594 S N 1.582 117.432 115.700 0.250 0.000 2.542 594 S HA 0.399 4.869 4.470 0.001 0.000 0.276 594 S C -1.143 173.535 174.600 0.130 0.000 1.148 594 S CA -0.861 57.430 58.200 0.151 0.000 0.886 594 S CB 1.765 65.030 63.200 0.108 0.000 1.109 594 S HN 0.720 nan 8.310 nan 0.000 0.458 595 E N -0.364 119.884 120.200 0.080 0.000 2.271 595 E HA -0.138 4.212 4.350 0.001 0.000 0.223 595 E C -0.020 176.603 176.600 0.039 0.000 1.223 595 E CA 1.102 57.531 56.400 0.049 0.000 0.704 595 E CB -2.445 27.297 29.700 0.069 0.000 1.194 595 E HN 1.307 nan 8.360 nan 0.000 0.375 596 V N -2.546 117.380 119.914 0.020 0.000 2.715 596 V HA 0.792 4.912 4.120 0.001 0.000 0.310 596 V C 0.105 176.144 176.094 -0.091 0.000 1.054 596 V CA -0.836 61.462 62.300 -0.005 0.000 0.928 596 V CB 2.875 34.719 31.823 0.035 0.000 1.007 596 V HN 0.219 nan 8.190 nan 0.000 0.437 597 K N 2.777 123.101 120.400 -0.127 0.000 2.507 597 K HA 0.401 4.722 4.320 0.001 0.000 0.251 597 K C -0.005 176.521 176.600 -0.123 0.000 0.943 597 K CA -0.659 55.535 56.287 -0.155 0.000 0.794 597 K CB 1.182 33.538 32.500 -0.241 0.000 1.188 597 K HN 0.969 nan 8.250 nan 0.000 0.428 598 N N 1.470 120.107 118.700 -0.106 0.000 2.721 598 N HA -0.185 4.555 4.740 0.001 0.000 0.249 598 N C -1.107 174.361 175.510 -0.070 0.000 1.072 598 N CA 1.144 54.145 53.050 -0.082 0.000 0.710 598 N CB -0.928 37.520 38.487 -0.064 0.000 0.993 598 N HN 0.337 nan 8.380 nan 0.000 0.547 599 V N -1.419 118.439 119.914 -0.095 0.000 3.103 599 V HA 0.891 5.011 4.120 0.001 0.000 0.318 599 V C -0.203 175.786 176.094 -0.176 0.000 1.114 599 V CA -0.567 61.676 62.300 -0.095 0.000 1.020 599 V CB 2.141 33.959 31.823 -0.010 0.000 1.085 599 V HN 0.273 nan 8.190 nan 0.000 0.446 600 K N 1.951 122.264 120.400 -0.145 0.000 2.582 600 K HA 0.572 4.892 4.320 0.001 0.000 0.259 600 K C -1.832 174.734 176.600 -0.056 0.000 0.973 600 K CA -0.281 55.932 56.287 -0.123 0.000 0.880 600 K CB 2.108 34.572 32.500 -0.061 0.000 1.310 600 K HN 0.672 nan 8.250 nan 0.000 0.443 601 V N 3.861 123.679 119.914 -0.160 0.000 2.294 601 V HA 0.275 4.395 4.120 0.001 0.000 0.272 601 V C -0.108 175.958 176.094 -0.047 0.000 1.027 601 V CA -0.176 62.058 62.300 -0.110 0.000 0.823 601 V CB 0.772 32.399 31.823 -0.327 0.000 1.030 601 V HN 0.972 nan 8.190 nan 0.000 0.457 602 D N 4.048 124.454 120.400 0.010 0.000 2.739 602 D HA -0.124 4.516 4.640 0.001 0.000 0.240 602 D C 0.465 176.790 176.300 0.041 0.000 1.114 602 D CA 1.149 55.181 54.000 0.054 0.000 0.695 602 D CB -1.041 39.823 40.800 0.107 0.000 1.078 602 D HN 0.892 nan 8.370 nan 0.000 0.434 603 G N 1.423 110.233 108.800 0.017 0.000 4.782 603 G HA2 0.496 4.457 3.960 0.001 0.000 0.327 603 G HA3 0.496 4.457 3.960 0.001 0.000 0.327 603 G C -0.390 174.496 174.900 -0.024 0.000 1.466 603 G CA -0.607 44.494 45.100 0.002 0.000 1.017 603 G HN 0.160 nan 8.290 nan 0.000 0.543 604 K N 1.517 121.887 120.400 -0.051 0.000 2.565 604 K HA 0.365 4.686 4.320 0.001 0.000 0.251 604 K C -2.834 173.699 176.600 -0.111 0.000 0.956 604 K CA -1.602 54.646 56.287 -0.066 0.000 0.809 604 K CB 3.460 35.928 32.500 -0.054 0.000 1.267 604 K HN 0.128 nan 8.250 nan 0.000 0.438 605 P HA 0.071 nan 4.420 nan 0.000 0.272 605 P C -0.309 176.877 177.300 -0.189 0.000 1.223 605 P CA -0.386 62.633 63.100 -0.135 0.000 0.784 605 P CB 0.897 32.537 31.700 -0.099 0.000 0.923 606 V N 0.000 119.757 119.914 -0.262 0.000 2.409 606 V HA 0.000 4.120 4.120 0.001 0.000 0.244 606 V CA 0.000 62.076 62.300 -0.374 0.000 1.235 606 V CB 0.000 31.383 31.823 -0.734 0.000 1.184 606 V HN 0.000 nan 8.190 nan 0.000 0.556