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 1w96_1_A DATA FIRST_RESID 14 DATA SEQUENCE MEYEITNYSE RHTELPGHFI GLNTVDKLEE SPLRDFVKSH GGHTVISKIL DATA SEQUENCE IANNGIAAVK EIRSVRKWAY ETFGDDRTVQ FVAMATPEDL EANAEYIRMA DATA SEQUENCE DQYIEVPGGT NNNNYANVDL IVDIAERADV DAVWAGWGHA SENPLLPEKL DATA SEQUENCE SQSKRKVIFI GPPGNAMRSL GDKISSTIVA QSAKVPCIPW SGTGVDTVHV DATA SEQUENCE DEKTGLVSVD DDIYQKGCCT SPEDGLQKAK RIGFPVMIKA SEGGGGKGIR DATA SEQUENCE QVEREEDFIA LYHQAANEIP GSPIFIMKLA GRARHLEVQL LADQYGTNIS DATA SEQUENCE LFGRDCSVQR RHQKIIEEAP VTIAKAETFH EMEKAAVRLG KLVGYVSAGT DATA SEQUENCE VEYLYSHDDG KFYFLELNPR LQVEHPTTEM VSGVNLPAAQ LQIAMGIPMH DATA SEQUENCE RISDIRTLYG MNPHSASEID FEFKTQDATK KQRRPIPKGH CTACRITSED DATA SEQUENCE PNDGFKPSGG TLHELNFRSS SNVWGYFSVG NNGNIHSFSD SQFGHIFAFG DATA SEQUENCE ENRQASRKHM VVALKELSIR GXXXXTVEYL IKLLETEDFE DNTITTGWLD DATA SEQUENCE DLI 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.125 176.300 -0.292 0.000 1.140 14 M CA 0.000 55.187 55.300 -0.189 0.000 0.988 14 M CB 0.000 32.449 32.600 -0.253 0.000 1.302 15 E N 1.315 121.298 120.200 -0.363 0.000 2.281 15 E HA 0.720 5.070 4.350 -0.000 0.000 0.262 15 E C -1.919 174.387 176.600 -0.491 0.000 0.933 15 E CA -0.678 55.539 56.400 -0.305 0.000 0.809 15 E CB 2.151 31.784 29.700 -0.111 0.000 1.242 15 E HN 0.566 nan 8.360 nan 0.000 0.418 16 Y N -0.563 119.762 120.300 0.041 0.000 2.605 16 Y HA 0.272 4.822 4.550 -0.000 0.000 0.343 16 Y C 0.115 175.986 175.900 -0.048 0.000 1.036 16 Y CA -1.371 56.741 58.100 0.020 0.000 1.065 16 Y CB 1.290 39.786 38.460 0.060 0.000 1.288 16 Y HN 0.365 nan 8.280 nan 0.000 0.481 17 E N 1.710 121.964 120.200 0.090 0.000 2.392 17 E HA 0.205 4.555 4.350 -0.000 0.000 0.264 17 E C -0.612 175.940 176.600 -0.080 0.000 1.024 17 E CA 0.165 56.560 56.400 -0.009 0.000 0.903 17 E CB 0.848 30.533 29.700 -0.025 0.000 0.963 17 E HN 0.467 nan 8.360 nan 0.000 0.432 18 I N 1.617 122.151 120.570 -0.059 0.000 2.428 18 I HA 0.166 4.336 4.170 -0.000 0.000 0.296 18 I C 0.320 176.381 176.117 -0.093 0.000 0.985 18 I CA -0.259 60.995 61.300 -0.076 0.000 1.260 18 I CB 1.451 39.438 38.000 -0.023 0.000 1.389 18 I HN 0.155 nan 8.210 nan 0.000 0.484 19 T N 4.603 119.079 114.554 -0.128 0.000 2.809 19 T HA 0.233 4.583 4.350 -0.000 0.000 0.284 19 T C -0.365 174.301 174.700 -0.057 0.000 0.992 19 T CA -0.609 61.420 62.100 -0.118 0.000 0.957 19 T CB 0.848 69.545 68.868 -0.286 0.000 0.942 19 T HN 0.417 nan 8.240 nan 0.000 0.439 20 N N 2.697 121.413 118.700 0.026 0.000 2.546 20 N HA 0.188 4.928 4.740 -0.000 0.000 0.238 20 N C -1.049 174.537 175.510 0.127 0.000 0.984 20 N CA -0.361 52.715 53.050 0.043 0.000 0.935 20 N CB 0.506 39.005 38.487 0.020 0.000 1.122 20 N HN 0.528 nan 8.380 nan 0.000 0.510 21 Y N 1.473 121.610 120.300 -0.272 0.000 2.720 21 Y HA 0.256 4.806 4.550 -0.000 0.000 0.277 21 Y C 1.808 177.278 175.900 -0.718 0.000 1.144 21 Y CA -0.430 57.399 58.100 -0.451 0.000 1.221 21 Y CB 0.077 38.230 38.460 -0.510 0.000 1.163 21 Y HN 0.448 nan 8.280 nan 0.000 0.537 22 S N -0.335 115.167 115.700 -0.329 0.000 2.383 22 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 22 S C 2.056 176.584 174.600 -0.120 0.000 1.030 22 S CA 1.677 59.752 58.200 -0.208 0.000 1.002 22 S CB 0.023 63.213 63.200 -0.016 0.000 0.829 22 S HN 0.660 nan 8.310 nan 0.000 0.467 23 E N 1.124 121.242 120.200 -0.137 0.000 2.047 23 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 23 E C 2.240 178.793 176.600 -0.078 0.000 0.987 23 E CA 0.796 57.142 56.400 -0.090 0.000 0.799 23 E CB -0.006 29.629 29.700 -0.109 0.000 0.752 23 E HN 0.356 nan 8.360 nan 0.000 0.449 24 R N -0.722 119.671 120.500 -0.178 0.000 2.120 24 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 24 R C 2.221 178.659 176.300 0.230 0.000 1.123 24 R CA 1.550 57.617 56.100 -0.055 0.000 0.975 24 R CB -0.372 29.737 30.300 -0.319 0.000 0.866 24 R HN 0.491 nan 8.270 nan 0.000 0.446 25 H N -0.777 118.405 119.070 0.187 0.000 2.421 25 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 25 H C 2.336 177.717 175.328 0.088 0.000 1.087 25 H CA 1.481 57.649 56.048 0.201 0.000 1.330 25 H CB 0.060 29.934 29.762 0.187 0.000 1.388 25 H HN 0.334 nan 8.280 nan 0.000 0.526 26 T N -0.859 113.800 114.554 0.176 0.000 2.915 26 T HA -0.116 4.233 4.350 -0.000 0.000 0.269 26 T C 1.552 176.286 174.700 0.057 0.000 1.071 26 T CA 1.232 63.383 62.100 0.086 0.000 1.132 26 T CB -0.025 68.873 68.868 0.050 0.000 0.878 26 T HN 0.490 nan 8.240 nan 0.000 0.479 27 E N 0.725 120.972 120.200 0.078 0.000 2.371 27 E HA 0.222 4.572 4.350 -0.000 0.000 0.194 27 E C 0.351 176.978 176.600 0.045 0.000 1.012 27 E CA -0.158 56.274 56.400 0.054 0.000 0.860 27 E CB -0.067 29.673 29.700 0.066 0.000 0.811 27 E HN 0.526 nan 8.360 nan 0.000 0.502 28 L N 2.833 124.104 121.223 0.079 0.000 2.456 28 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 28 L C -2.017 174.764 176.870 -0.149 0.000 1.189 28 L CA -1.763 53.104 54.840 0.046 0.000 0.846 28 L CB -0.306 41.832 42.059 0.131 0.000 1.111 28 L HN -0.206 nan 8.230 nan 0.000 0.475 29 P HA 0.015 nan 4.420 nan 0.000 0.269 29 P C 0.762 177.689 177.300 -0.621 0.000 1.209 29 P CA -0.040 62.691 63.100 -0.615 0.000 0.776 29 P CB 0.785 31.809 31.700 -1.127 0.000 0.876 30 G N 1.538 110.106 108.800 -0.386 0.000 2.462 30 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 30 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 30 G C 1.039 175.811 174.900 -0.213 0.000 1.121 30 G CA 0.981 45.940 45.100 -0.234 0.000 0.758 30 G HN 0.759 nan 8.290 nan 0.000 0.559 31 H N -1.769 117.191 119.070 -0.183 0.000 2.545 31 H HA 0.144 4.700 4.556 -0.000 0.000 0.282 31 H C 1.712 177.062 175.328 0.037 0.000 1.020 31 H CA 0.596 56.581 56.048 -0.105 0.000 1.243 31 H CB -0.372 29.305 29.762 -0.140 0.000 1.377 31 H HN 0.311 nan 8.280 nan 0.000 0.581 32 F N 1.336 121.170 119.950 -0.194 0.000 2.416 32 F HA 0.155 4.682 4.527 -0.000 0.000 0.296 32 F C 0.960 176.710 175.800 -0.082 0.000 1.099 32 F CA -0.626 57.322 58.000 -0.087 0.000 1.427 32 F CB -0.026 38.867 39.000 -0.178 0.000 1.079 32 F HN 0.115 nan 8.300 nan 0.000 0.536 33 I N 0.614 121.168 120.570 -0.027 0.000 2.396 33 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 33 I C 1.052 177.191 176.117 0.037 0.000 1.056 33 I CA -0.146 61.090 61.300 -0.106 0.000 1.365 33 I CB -0.109 37.781 38.000 -0.183 0.000 1.407 33 I HN -0.014 nan 8.210 nan 0.000 0.509 34 G N 4.649 113.507 108.800 0.097 0.000 2.531 34 G HA2 0.385 4.345 3.960 -0.000 0.000 0.281 34 G HA3 0.385 4.345 3.960 -0.000 0.000 0.281 34 G C 0.614 175.547 174.900 0.055 0.000 1.382 34 G CA -0.458 44.693 45.100 0.085 0.000 1.045 34 G HN 0.533 nan 8.290 nan 0.000 0.533 35 L N -0.566 120.685 121.223 0.047 0.000 2.068 35 L HA 0.181 4.521 4.340 -0.000 0.000 0.204 35 L C 1.101 177.991 176.870 0.033 0.000 1.076 35 L CA 0.844 55.704 54.840 0.034 0.000 0.753 35 L CB -0.296 41.779 42.059 0.028 0.000 0.910 35 L HN 0.299 nan 8.230 nan 0.000 0.439 36 N N 1.101 119.822 118.700 0.035 0.000 3.124 36 N HA 0.080 4.820 4.740 -0.000 0.000 0.284 36 N C -0.387 175.148 175.510 0.043 0.000 1.209 36 N CA 0.276 53.344 53.050 0.031 0.000 1.149 36 N CB -0.236 38.262 38.487 0.018 0.000 1.434 36 N HN 0.361 nan 8.380 nan 0.000 0.529 37 T N -3.070 111.513 114.554 0.049 0.000 2.899 37 T HA 0.102 4.452 4.350 -0.000 0.000 0.295 37 T C 2.019 176.753 174.700 0.057 0.000 1.033 37 T CA -0.853 61.285 62.100 0.062 0.000 1.084 37 T CB 1.246 70.148 68.868 0.056 0.000 0.979 37 T HN 0.113 nan 8.240 nan 0.000 0.532 38 V N -0.123 119.831 119.914 0.066 0.000 2.490 38 V HA -0.176 3.944 4.120 -0.000 0.000 0.250 38 V C 2.111 178.245 176.094 0.067 0.000 1.061 38 V CA 1.937 64.277 62.300 0.067 0.000 1.064 38 V CB -1.402 30.471 31.823 0.083 0.000 0.670 38 V HN 0.959 nan 8.190 nan 0.000 0.461 39 D N 2.742 123.185 120.400 0.073 0.000 2.178 39 D HA -0.233 4.407 4.640 -0.000 0.000 0.201 39 D C 1.669 177.998 176.300 0.049 0.000 0.980 39 D CA 1.922 55.961 54.000 0.066 0.000 0.842 39 D CB -0.522 40.321 40.800 0.071 0.000 0.948 39 D HN 0.772 nan 8.370 nan 0.000 0.472 40 K N -0.606 119.820 120.400 0.043 0.000 2.832 40 K HA 0.386 4.706 4.320 -0.000 0.000 0.211 40 K C -0.638 175.979 176.600 0.029 0.000 1.112 40 K CA -0.722 55.584 56.287 0.033 0.000 1.108 40 K CB 0.257 32.774 32.500 0.028 0.000 0.899 40 K HN 0.072 nan 8.250 nan 0.000 0.464 41 L N 1.109 122.351 121.223 0.032 0.000 2.381 41 L HA 0.367 4.707 4.340 -0.000 0.000 0.268 41 L C -0.551 176.334 176.870 0.026 0.000 0.997 41 L CA -0.650 54.205 54.840 0.026 0.000 0.818 41 L CB 2.140 44.215 42.059 0.027 0.000 1.310 41 L HN 0.323 nan 8.230 nan 0.000 0.416 42 E N 2.431 122.642 120.200 0.018 0.000 2.408 42 E HA 0.080 4.430 4.350 -0.000 0.000 0.259 42 E C -0.680 175.933 176.600 0.022 0.000 1.110 42 E CA -0.321 56.089 56.400 0.018 0.000 0.929 42 E CB 0.589 30.295 29.700 0.010 0.000 0.971 42 E HN 0.614 nan 8.360 nan 0.000 0.438 43 E N 0.822 121.038 120.200 0.026 0.000 2.413 43 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 43 E C -0.590 176.025 176.600 0.025 0.000 1.015 43 E CA 0.309 56.729 56.400 0.035 0.000 0.916 43 E CB 0.846 30.569 29.700 0.037 0.000 0.947 43 E HN 0.493 nan 8.360 nan 0.000 0.440 44 S N 1.161 116.881 115.700 0.033 0.000 2.578 44 S HA 0.215 4.685 4.470 -0.000 0.000 0.272 44 S C -2.651 171.969 174.600 0.034 0.000 1.145 44 S CA -1.239 56.967 58.200 0.009 0.000 0.835 44 S CB 1.629 64.811 63.200 -0.031 0.000 1.104 44 S HN 0.087 nan 8.310 nan 0.000 0.458 45 P HA -0.099 nan 4.420 nan 0.000 0.215 45 P C 1.676 179.012 177.300 0.059 0.000 1.157 45 P CA 0.861 64.016 63.100 0.092 0.000 0.874 45 P CB 0.030 31.747 31.700 0.028 0.000 0.790 46 L N -0.581 120.469 121.223 -0.289 0.000 2.027 46 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 46 L C 2.443 179.336 176.870 0.038 0.000 1.074 46 L CA 1.848 56.484 54.840 -0.340 0.000 0.745 46 L CB -1.018 40.768 42.059 -0.455 0.000 0.898 46 L HN -0.211 nan 8.230 nan 0.000 0.433 47 R N -0.155 120.361 120.500 0.027 0.000 2.081 47 R HA -0.161 4.178 4.340 -0.000 0.000 0.235 47 R C 1.788 178.170 176.300 0.137 0.000 1.131 47 R CA 1.872 58.016 56.100 0.074 0.000 0.960 47 R CB -0.657 29.670 30.300 0.044 0.000 0.856 47 R HN 0.463 nan 8.270 nan 0.000 0.436 48 D N -0.172 120.338 120.400 0.184 0.000 2.144 48 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 48 D C 1.659 178.125 176.300 0.277 0.000 0.984 48 D CA 0.998 55.147 54.000 0.248 0.000 0.834 48 D CB -0.431 40.559 40.800 0.316 0.000 0.955 48 D HN 0.204 nan 8.370 nan 0.000 0.465 49 F N 1.593 121.625 119.950 0.136 0.000 2.075 49 F HA -0.213 4.313 4.527 -0.000 0.000 0.297 49 F C 2.230 177.961 175.800 -0.115 0.000 1.113 49 F CA 1.104 59.001 58.000 -0.172 0.000 1.218 49 F CB -0.297 38.692 39.000 -0.018 0.000 0.984 49 F HN -0.232 nan 8.300 nan 0.000 0.472 50 V N 0.949 120.982 119.914 0.199 0.000 2.295 50 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 50 V C 2.481 178.582 176.094 0.013 0.000 1.049 50 V CA 2.357 64.709 62.300 0.087 0.000 1.024 50 V CB -0.873 31.024 31.823 0.123 0.000 0.648 50 V HN 0.337 nan 8.190 nan 0.000 0.447 51 K N 0.834 121.269 120.400 0.057 0.000 2.009 51 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 51 K C 2.448 179.067 176.600 0.033 0.000 1.049 51 K CA 2.026 58.354 56.287 0.069 0.000 0.929 51 K CB -0.327 32.226 32.500 0.089 0.000 0.714 51 K HN 0.611 nan 8.250 nan 0.000 0.440 52 S N -0.243 115.472 115.700 0.026 0.000 2.399 52 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 52 S C 1.447 175.942 174.600 -0.175 0.000 1.022 52 S CA 1.261 59.451 58.200 -0.017 0.000 0.983 52 S CB -0.578 62.675 63.200 0.087 0.000 0.803 52 S HN 0.442 nan 8.310 nan 0.000 0.480 53 H N 1.395 120.228 119.070 -0.395 0.000 2.543 53 H HA 0.412 4.968 4.556 -0.000 0.000 0.269 53 H C 1.661 176.779 175.328 -0.351 0.000 1.005 53 H CA -0.055 55.716 56.048 -0.461 0.000 1.146 53 H CB -0.295 29.035 29.762 -0.719 0.000 1.353 53 H HN 0.599 nan 8.280 nan 0.000 0.595 54 G N -0.442 108.276 108.800 -0.137 0.000 2.157 54 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 54 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 54 G C 0.834 175.824 174.900 0.150 0.000 0.979 54 G CA 0.096 45.138 45.100 -0.096 0.000 0.650 54 G HN 0.772 nan 8.290 nan 0.000 0.529 55 G N -1.007 107.844 108.800 0.085 0.000 2.562 55 G HA2 0.590 4.550 3.960 -0.000 0.000 0.275 55 G HA3 0.590 4.550 3.960 -0.000 0.000 0.275 55 G C 0.449 175.340 174.900 -0.014 0.000 1.196 55 G CA 0.468 45.577 45.100 0.015 0.000 0.908 55 G HN 1.034 nan 8.290 nan 0.000 0.524 56 H N -2.934 116.057 119.070 -0.133 0.000 2.927 56 H HA 0.318 4.873 4.556 -0.000 0.000 0.255 56 H C 0.447 175.716 175.328 -0.097 0.000 0.974 56 H CA 0.342 56.221 56.048 -0.282 0.000 1.199 56 H CB 0.343 29.737 29.762 -0.612 0.000 1.447 56 H HN 0.360 nan 8.280 nan 0.000 0.467 57 T N 1.807 116.340 114.554 -0.035 0.000 2.861 57 T HA 0.479 4.828 4.350 -0.000 0.000 0.287 57 T C -0.793 173.906 174.700 -0.002 0.000 1.003 57 T CA -0.772 61.372 62.100 0.073 0.000 0.977 57 T CB 2.676 71.659 68.868 0.192 0.000 0.996 57 T HN 0.043 nan 8.240 nan 0.000 0.448 58 V N 4.515 124.441 119.914 0.021 0.000 2.408 58 V HA 0.327 4.447 4.120 -0.000 0.000 0.267 58 V C 0.104 176.195 176.094 -0.005 0.000 1.047 58 V CA -0.416 61.890 62.300 0.009 0.000 0.937 58 V CB 0.261 32.088 31.823 0.007 0.000 0.999 58 V HN 0.764 nan 8.190 nan 0.000 0.472 59 I N 5.262 125.822 120.570 -0.017 0.000 2.307 59 I HA 0.200 4.369 4.170 -0.000 0.000 0.287 59 I C 1.079 177.155 176.117 -0.068 0.000 1.054 59 I CA 0.151 61.429 61.300 -0.036 0.000 1.218 59 I CB 1.379 39.353 38.000 -0.043 0.000 1.398 59 I HN 0.746 nan 8.210 nan 0.000 0.475 60 S N 4.319 119.971 115.700 -0.081 0.000 2.559 60 S HA 0.232 4.702 4.470 -0.000 0.000 0.226 60 S C 0.356 174.868 174.600 -0.147 0.000 1.000 60 S CA -0.323 57.808 58.200 -0.116 0.000 0.948 60 S CB 0.282 63.421 63.200 -0.102 0.000 0.870 60 S HN 0.593 nan 8.310 nan 0.000 0.497 61 K N 0.876 121.194 120.400 -0.136 0.000 2.535 61 K HA 0.603 4.923 4.320 -0.000 0.000 0.250 61 K C -1.965 174.554 176.600 -0.135 0.000 0.948 61 K CA -0.606 55.594 56.287 -0.146 0.000 0.796 61 K CB 1.487 33.944 32.500 -0.072 0.000 1.216 61 K HN 0.245 nan 8.250 nan 0.000 0.432 62 I N 4.591 125.037 120.570 -0.206 0.000 2.465 62 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 62 I C -0.913 175.262 176.117 0.097 0.000 1.014 62 I CA -1.287 59.964 61.300 -0.081 0.000 1.093 62 I CB 1.818 39.708 38.000 -0.183 0.000 1.267 62 I HN 0.453 nan 8.210 nan 0.000 0.431 63 L N 7.692 129.008 121.223 0.154 0.000 2.275 63 L HA 0.538 4.878 4.340 -0.000 0.000 0.288 63 L C -0.660 176.369 176.870 0.266 0.000 1.046 63 L CA 0.081 55.042 54.840 0.202 0.000 0.805 63 L CB 0.885 43.039 42.059 0.159 0.000 1.193 63 L HN 0.397 nan 8.230 nan 0.000 0.426 64 I N 5.852 126.597 120.570 0.292 0.000 2.297 64 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 64 I C 0.475 176.717 176.117 0.209 0.000 1.033 64 I CA -0.361 61.116 61.300 0.294 0.000 1.253 64 I CB 1.421 39.553 38.000 0.220 0.000 1.396 64 I HN 0.835 nan 8.210 nan 0.000 0.476 65 A N 6.073 129.002 122.820 0.181 0.000 3.126 65 A HA 0.440 4.759 4.320 -0.000 0.000 0.268 65 A C -0.048 177.544 177.584 0.012 0.000 1.605 65 A CA 0.004 52.120 52.037 0.130 0.000 1.305 65 A CB -0.584 18.492 19.000 0.127 0.000 1.160 65 A HN 0.894 nan 8.150 nan 0.000 0.609 66 N N -0.519 118.105 118.700 -0.127 0.000 3.356 66 N HA 0.329 5.069 4.740 -0.000 0.000 0.246 66 N C -1.289 173.720 175.510 -0.835 0.000 1.480 66 N CA -0.396 52.413 53.050 -0.401 0.000 0.877 66 N CB 0.853 39.197 38.487 -0.238 0.000 1.431 66 N HN 0.506 nan 8.380 nan 0.000 0.500 67 N N -0.428 117.729 118.700 -0.903 0.000 3.506 67 N HA 0.572 5.312 4.740 -0.000 0.000 0.331 67 N C 0.488 175.599 175.510 -0.664 0.000 1.631 67 N CA 0.216 52.530 53.050 -1.227 0.000 0.786 67 N CB -0.240 37.606 38.487 -1.068 0.000 2.023 67 N HN 0.830 nan 8.380 nan 0.000 0.621 68 G N 0.644 109.198 108.800 -0.410 0.000 2.581 68 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.291 68 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.291 68 G C 0.829 175.691 174.900 -0.064 0.000 1.277 68 G CA 0.868 45.921 45.100 -0.078 0.000 0.959 68 G HN 1.030 nan 8.290 nan 0.000 0.554 69 I N 1.296 121.895 120.570 0.049 0.000 2.264 69 I HA 0.041 4.211 4.170 -0.000 0.000 0.248 69 I C 3.024 179.174 176.117 0.055 0.000 1.111 69 I CA 2.752 64.074 61.300 0.036 0.000 1.382 69 I CB -0.869 37.134 38.000 0.006 0.000 1.060 69 I HN 0.995 nan 8.210 nan 0.000 0.418 70 A N 0.557 123.356 122.820 -0.036 0.000 1.883 70 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 70 A C 2.525 180.015 177.584 -0.156 0.000 1.186 70 A CA 2.101 53.947 52.037 -0.318 0.000 0.624 70 A CB -1.418 17.016 19.000 -0.943 0.000 0.822 70 A HN 0.554 nan 8.150 nan 0.000 0.444 71 A N -0.756 121.917 122.820 -0.244 0.000 1.898 71 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 71 A C 2.236 179.665 177.584 -0.257 0.000 1.181 71 A CA 1.736 53.602 52.037 -0.285 0.000 0.620 71 A CB -0.890 17.787 19.000 -0.538 0.000 0.819 71 A HN 0.392 nan 8.150 nan 0.000 0.442 72 V N 0.279 120.105 119.914 -0.147 0.000 2.343 72 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 72 V C 2.586 178.580 176.094 -0.166 0.000 1.051 72 V CA 2.402 64.639 62.300 -0.105 0.000 1.036 72 V CB -0.596 31.218 31.823 -0.016 0.000 0.654 72 V HN 0.601 nan 8.190 nan 0.000 0.451 73 K N 0.945 121.273 120.400 -0.120 0.000 2.057 73 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 73 K C 2.035 178.485 176.600 -0.249 0.000 1.049 73 K CA 1.964 58.194 56.287 -0.094 0.000 0.931 73 K CB -0.424 32.162 32.500 0.142 0.000 0.714 73 K HN 0.467 nan 8.250 nan 0.000 0.440 74 E N 0.483 120.383 120.200 -0.501 0.000 2.051 74 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 74 E C 1.877 178.040 176.600 -0.727 0.000 0.991 74 E CA 1.813 57.684 56.400 -0.881 0.000 0.799 74 E CB -0.324 28.396 29.700 -1.634 0.000 0.748 74 E HN 0.433 nan 8.360 nan 0.000 0.449 75 I N 0.106 120.193 120.570 -0.804 0.000 2.179 75 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 75 I C 2.674 178.579 176.117 -0.354 0.000 1.088 75 I CA 1.386 62.157 61.300 -0.880 0.000 1.357 75 I CB -0.308 37.275 38.000 -0.696 0.000 1.051 75 I HN 0.087 nan 8.210 nan 0.000 0.409 76 R N 0.189 120.539 120.500 -0.250 0.000 2.081 76 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 76 R C 2.524 178.769 176.300 -0.091 0.000 1.131 76 R CA 1.636 57.653 56.100 -0.140 0.000 0.960 76 R CB -0.348 29.867 30.300 -0.141 0.000 0.856 76 R HN 0.267 nan 8.270 nan 0.000 0.436 77 S N 0.253 115.884 115.700 -0.116 0.000 2.368 77 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 77 S C 2.084 176.706 174.600 0.036 0.000 1.029 77 S CA 1.111 59.278 58.200 -0.054 0.000 0.988 77 S CB -0.055 63.098 63.200 -0.077 0.000 0.838 77 S HN 0.069 nan 8.310 nan 0.000 0.462 78 V N 1.856 121.795 119.914 0.041 0.000 2.358 78 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 78 V C 2.402 178.695 176.094 0.332 0.000 1.047 78 V CA 1.505 63.941 62.300 0.226 0.000 1.035 78 V CB -0.553 31.471 31.823 0.337 0.000 0.658 78 V HN 0.357 nan 8.190 nan 0.000 0.452 79 R N 0.081 120.721 120.500 0.234 0.000 2.115 79 R HA -0.178 4.162 4.340 -0.000 0.000 0.230 79 R C 2.361 178.755 176.300 0.157 0.000 1.111 79 R CA 1.368 57.586 56.100 0.196 0.000 0.976 79 R CB -0.268 30.107 30.300 0.124 0.000 0.870 79 R HN 0.319 nan 8.270 nan 0.000 0.445 80 K N 0.407 120.884 120.400 0.128 0.000 2.057 80 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 80 K C 1.625 178.316 176.600 0.153 0.000 1.050 80 K CA 1.361 57.719 56.287 0.119 0.000 0.935 80 K CB -0.474 32.066 32.500 0.067 0.000 0.715 80 K HN 0.242 nan 8.250 nan 0.000 0.439 81 W N 0.848 122.149 121.300 0.000 0.000 2.358 81 W HA -0.083 4.577 4.660 -0.000 0.000 0.303 81 W C 1.798 178.279 176.519 -0.063 0.000 1.208 81 W CA 2.333 59.647 57.345 -0.050 0.000 1.274 81 W CB -0.608 28.811 29.460 -0.069 0.000 1.138 81 W HN 0.124 nan 8.180 nan 0.000 0.515 82 A N -0.443 122.294 122.820 -0.138 0.000 1.902 82 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 82 A C 1.923 179.405 177.584 -0.170 0.000 1.181 82 A CA 1.753 53.633 52.037 -0.263 0.000 0.623 82 A CB -1.601 17.445 19.000 0.076 0.000 0.818 82 A HN 0.561 nan 8.150 nan 0.000 0.443 83 Y N 0.936 121.144 120.300 -0.154 0.000 2.163 83 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 83 Y C 2.259 178.046 175.900 -0.188 0.000 1.136 83 Y CA 2.055 60.084 58.100 -0.119 0.000 1.147 83 Y CB -0.348 38.074 38.460 -0.063 0.000 0.987 83 Y HN 0.491 nan 8.280 nan 0.000 0.509 84 E N -1.245 118.795 120.200 -0.267 0.000 2.153 84 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 84 E C 1.904 178.214 176.600 -0.483 0.000 0.988 84 E CA 1.725 57.919 56.400 -0.342 0.000 0.811 84 E CB -0.156 29.436 29.700 -0.179 0.000 0.746 84 E HN 0.446 nan 8.360 nan 0.000 0.466 85 T N -0.174 113.923 114.554 -0.761 0.000 2.976 85 T HA 0.018 4.367 4.350 -0.000 0.000 0.257 85 T C 1.011 175.051 174.700 -1.100 0.000 1.051 85 T CA 0.727 62.169 62.100 -1.096 0.000 1.141 85 T CB 0.031 67.691 68.868 -2.015 0.000 0.881 85 T HN 0.082 nan 8.240 nan 0.000 0.461 86 F N -0.100 119.592 119.950 -0.431 0.000 2.767 86 F HA 0.475 5.002 4.527 -0.000 0.000 0.323 86 F C 1.806 177.464 175.800 -0.236 0.000 1.091 86 F CA -0.382 57.447 58.000 -0.284 0.000 1.192 86 F CB 0.051 38.879 39.000 -0.287 0.000 1.056 86 F HN 0.228 nan 8.300 nan 0.000 0.571 87 G N 0.710 109.379 108.800 -0.218 0.000 2.168 87 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.263 87 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.263 87 G C -0.311 174.609 174.900 0.034 0.000 0.977 87 G CA 0.499 45.436 45.100 -0.272 0.000 0.659 87 G HN 0.373 nan 8.290 nan 0.000 0.533 88 D N 0.215 120.687 120.400 0.120 0.000 2.575 88 D HA 0.380 5.020 4.640 -0.000 0.000 0.250 88 D C 0.880 177.281 176.300 0.167 0.000 1.279 88 D CA -0.073 54.020 54.000 0.155 0.000 0.925 88 D CB 0.870 41.706 40.800 0.061 0.000 1.261 88 D HN 0.063 nan 8.370 nan 0.000 0.567 89 D N 2.810 123.332 120.400 0.203 0.000 2.363 89 D HA -0.089 4.551 4.640 -0.000 0.000 0.226 89 D C 0.483 176.845 176.300 0.103 0.000 1.020 89 D CA 0.144 54.233 54.000 0.149 0.000 0.892 89 D CB 0.315 41.162 40.800 0.078 0.000 0.900 89 D HN 0.146 nan 8.370 nan 0.000 0.531 90 R N -0.219 120.321 120.500 0.067 0.000 2.546 90 R HA 0.203 4.543 4.340 -0.000 0.000 0.320 90 R C 1.278 177.567 176.300 -0.018 0.000 1.021 90 R CA -0.030 56.096 56.100 0.043 0.000 1.088 90 R CB -0.547 29.773 30.300 0.034 0.000 1.278 90 R HN 0.111 nan 8.270 nan 0.000 0.557 91 T N 0.413 114.941 114.554 -0.043 0.000 2.759 91 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 91 T C 0.998 175.599 174.700 -0.166 0.000 1.042 91 T CA 1.118 63.119 62.100 -0.164 0.000 1.140 91 T CB 0.159 68.831 68.868 -0.325 0.000 0.864 91 T HN -0.075 nan 8.240 nan 0.000 0.455 92 V N 2.513 122.360 119.914 -0.112 0.000 2.328 92 V HA 0.273 4.393 4.120 -0.000 0.000 0.278 92 V C -0.064 175.849 176.094 -0.301 0.000 1.021 92 V CA -0.793 61.391 62.300 -0.193 0.000 0.838 92 V CB 1.323 33.054 31.823 -0.153 0.000 0.999 92 V HN 0.341 nan 8.190 nan 0.000 0.447 93 Q N 3.242 122.877 119.800 -0.275 0.000 2.354 93 Q HA 0.526 4.866 4.340 -0.000 0.000 0.244 93 Q C -1.320 174.445 176.000 -0.392 0.000 0.969 93 Q CA -0.030 55.647 55.803 -0.209 0.000 0.885 93 Q CB 1.316 29.999 28.738 -0.091 0.000 1.241 93 Q HN 0.603 nan 8.270 nan 0.000 0.461 94 F N 0.356 120.321 119.950 0.024 0.000 2.507 94 F HA 0.396 4.923 4.527 -0.000 0.000 0.325 94 F C -0.475 175.365 175.800 0.067 0.000 1.116 94 F CA -0.854 57.168 58.000 0.037 0.000 0.930 94 F CB 1.581 40.596 39.000 0.025 0.000 1.146 94 F HN 0.155 nan 8.300 nan 0.000 0.447 95 V N 3.218 123.299 119.914 0.279 0.000 2.459 95 V HA 0.817 4.936 4.120 -0.000 0.000 0.295 95 V C -0.109 176.152 176.094 0.277 0.000 1.029 95 V CA -0.789 61.645 62.300 0.224 0.000 0.874 95 V CB 1.371 33.286 31.823 0.154 0.000 0.985 95 V HN 0.882 nan 8.190 nan 0.000 0.438 96 A N 5.710 128.708 122.820 0.298 0.000 2.320 96 A HA 0.910 5.230 4.320 -0.000 0.000 0.334 96 A C -0.471 177.333 177.584 0.366 0.000 1.147 96 A CA -0.742 51.510 52.037 0.357 0.000 0.820 96 A CB 1.138 20.354 19.000 0.359 0.000 1.218 96 A HN 0.802 nan 8.150 nan 0.000 0.482 97 M N 1.476 121.332 119.600 0.427 0.000 2.238 97 M HA 0.539 5.019 4.480 -0.000 0.000 0.350 97 M C -0.092 176.510 176.300 0.503 0.000 1.138 97 M CA -0.097 55.442 55.300 0.398 0.000 1.040 97 M CB 1.832 34.671 32.600 0.397 0.000 1.639 97 M HN 0.770 nan 8.290 nan 0.000 0.451 98 A N 2.333 125.343 122.820 0.317 0.000 2.340 98 A HA 0.657 4.977 4.320 -0.000 0.000 0.297 98 A C -0.024 177.645 177.584 0.142 0.000 1.195 98 A CA -0.736 51.439 52.037 0.231 0.000 0.769 98 A CB 0.650 19.648 19.000 -0.004 0.000 1.163 98 A HN 0.816 nan 8.150 nan 0.000 0.472 99 T N 0.600 115.250 114.554 0.159 0.000 2.849 99 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 99 T C -1.957 172.786 174.700 0.072 0.000 1.004 99 T CA -1.477 60.656 62.100 0.054 0.000 1.021 99 T CB 0.835 69.730 68.868 0.046 0.000 1.013 99 T HN 0.207 nan 8.240 nan 0.000 0.527 100 P HA -0.033 nan 4.420 nan 0.000 0.217 100 P C 1.215 178.541 177.300 0.044 0.000 1.150 100 P CA 0.915 64.038 63.100 0.039 0.000 0.832 100 P CB 0.058 31.776 31.700 0.029 0.000 0.787 101 E N -0.574 119.671 120.200 0.076 0.000 2.077 101 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 101 E C 1.766 178.427 176.600 0.102 0.000 0.989 101 E CA 1.216 57.669 56.400 0.089 0.000 0.800 101 E CB -0.783 29.011 29.700 0.156 0.000 0.746 101 E HN 0.259 nan 8.360 nan 0.000 0.452 102 D N -0.030 120.458 120.400 0.146 0.000 2.149 102 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 102 D C 2.014 178.321 176.300 0.012 0.000 0.972 102 D CA 0.627 54.710 54.000 0.139 0.000 0.835 102 D CB -0.055 40.913 40.800 0.280 0.000 0.966 102 D HN 0.146 nan 8.370 nan 0.000 0.476 103 L N 0.896 122.108 121.223 -0.017 0.000 2.017 103 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 103 L C 2.294 179.137 176.870 -0.045 0.000 1.073 103 L CA 1.205 55.997 54.840 -0.080 0.000 0.745 103 L CB -0.284 41.743 42.059 -0.053 0.000 0.894 103 L HN -0.026 nan 8.230 nan 0.000 0.432 104 E N -0.287 119.905 120.200 -0.013 0.000 2.204 104 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 104 E C 1.912 178.510 176.600 -0.002 0.000 0.989 104 E CA 0.901 57.295 56.400 -0.010 0.000 0.824 104 E CB -0.046 29.645 29.700 -0.014 0.000 0.756 104 E HN 0.485 nan 8.360 nan 0.000 0.477 105 A N 0.877 123.704 122.820 0.011 0.000 2.275 105 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 105 A C 0.255 177.848 177.584 0.015 0.000 1.201 105 A CA -0.185 51.870 52.037 0.031 0.000 0.843 105 A CB 0.072 19.111 19.000 0.065 0.000 0.873 105 A HN 0.181 nan 8.150 nan 0.000 0.492 106 N N -0.780 117.904 118.700 -0.025 0.000 2.738 106 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 106 N C 0.279 175.748 175.510 -0.069 0.000 1.047 106 N CA 0.805 53.821 53.050 -0.057 0.000 0.707 106 N CB -1.591 36.881 38.487 -0.024 0.000 0.937 106 N HN 0.775 nan 8.380 nan 0.000 0.545 107 A N 0.288 123.053 122.820 -0.090 0.000 2.567 107 A HA 0.055 4.375 4.320 -0.000 0.000 0.240 107 A C 1.480 178.972 177.584 -0.154 0.000 1.053 107 A CA 0.425 52.421 52.037 -0.070 0.000 0.755 107 A CB 0.301 19.290 19.000 -0.019 0.000 0.978 107 A HN 0.364 nan 8.150 nan 0.000 0.507 108 E N 1.262 121.444 120.200 -0.030 0.000 2.097 108 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 108 E C 1.498 178.064 176.600 -0.057 0.000 1.000 108 E CA 2.426 58.810 56.400 -0.028 0.000 0.804 108 E CB -0.526 29.194 29.700 0.034 0.000 0.740 108 E HN 1.004 nan 8.360 nan 0.000 0.454 109 Y N -0.244 120.022 120.300 -0.057 0.000 2.333 109 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 109 Y C 1.817 177.680 175.900 -0.061 0.000 1.144 109 Y CA 0.893 58.948 58.100 -0.075 0.000 1.228 109 Y CB -0.493 37.913 38.460 -0.090 0.000 0.985 109 Y HN -0.022 nan 8.280 nan 0.000 0.542 110 I N 0.611 120.644 120.570 -0.896 0.000 2.286 110 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 110 I C 2.895 178.827 176.117 -0.308 0.000 1.104 110 I CA 1.496 62.380 61.300 -0.695 0.000 1.397 110 I CB -0.453 37.027 38.000 -0.867 0.000 1.072 110 I HN 0.178 nan 8.210 nan 0.000 0.417 111 R N 1.073 121.428 120.500 -0.243 0.000 2.096 111 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 111 R C 2.302 178.580 176.300 -0.036 0.000 1.127 111 R CA 1.436 57.474 56.100 -0.104 0.000 0.968 111 R CB -0.081 30.169 30.300 -0.084 0.000 0.861 111 R HN 0.293 nan 8.270 nan 0.000 0.440 112 M N 0.630 120.206 119.600 -0.041 0.000 2.132 112 M HA 0.009 4.488 4.480 -0.000 0.000 0.263 112 M C 1.167 177.488 176.300 0.035 0.000 1.065 112 M CA 0.942 56.239 55.300 -0.006 0.000 1.122 112 M CB -0.187 32.401 32.600 -0.020 0.000 1.365 112 M HN 0.098 nan 8.290 nan 0.000 0.411 113 A N 1.193 124.046 122.820 0.056 0.000 2.507 113 A HA -0.078 4.242 4.320 -0.000 0.000 0.235 113 A C 0.680 178.353 177.584 0.148 0.000 1.070 113 A CA 0.039 52.160 52.037 0.141 0.000 0.768 113 A CB 0.037 19.147 19.000 0.184 0.000 1.011 113 A HN 0.406 nan 8.150 nan 0.000 0.502 114 D N -0.113 120.389 120.400 0.170 0.000 2.269 114 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 114 D C 0.755 177.119 176.300 0.105 0.000 0.963 114 D CA 1.647 55.718 54.000 0.118 0.000 0.864 114 D CB 0.251 41.110 40.800 0.100 0.000 0.936 114 D HN 0.795 nan 8.370 nan 0.000 0.505 115 Q N -0.809 119.075 119.800 0.138 0.000 2.633 115 Q HA 0.409 4.749 4.340 -0.000 0.000 0.289 115 Q C -1.694 174.427 176.000 0.201 0.000 0.940 115 Q CA -1.104 54.761 55.803 0.104 0.000 0.785 115 Q CB 1.509 30.264 28.738 0.028 0.000 1.467 115 Q HN 0.071 nan 8.270 nan 0.000 0.401 116 Y N -1.016 119.313 120.300 0.049 0.000 2.625 116 Y HA 0.841 5.390 4.550 -0.000 0.000 0.338 116 Y C -1.790 174.142 175.900 0.053 0.000 1.123 116 Y CA -1.317 56.820 58.100 0.061 0.000 1.046 116 Y CB 1.628 40.109 38.460 0.035 0.000 1.299 116 Y HN 0.681 nan 8.280 nan 0.000 0.464 117 I N 2.358 123.075 120.570 0.246 0.000 2.498 117 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 117 I C -0.745 175.504 176.117 0.221 0.000 1.032 117 I CA -0.919 60.458 61.300 0.127 0.000 1.073 117 I CB 2.164 40.214 38.000 0.084 0.000 1.251 117 I HN 0.688 nan 8.210 nan 0.000 0.426 118 E N 4.897 125.201 120.200 0.173 0.000 2.373 118 E HA 0.366 4.716 4.350 -0.000 0.000 0.267 118 E C -0.748 175.897 176.600 0.075 0.000 1.032 118 E CA -0.230 56.263 56.400 0.155 0.000 0.889 118 E CB 1.638 31.413 29.700 0.125 0.000 0.984 118 E HN 0.413 nan 8.360 nan 0.000 0.425 119 V N -0.173 119.764 119.914 0.039 0.000 3.130 119 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 119 V C -2.739 173.330 176.094 -0.042 0.000 1.158 119 V CA -2.865 59.421 62.300 -0.024 0.000 1.029 119 V CB 1.433 33.201 31.823 -0.093 0.000 1.057 119 V HN 0.455 nan 8.190 nan 0.000 0.436 120 P HA 0.360 nan 4.420 nan 0.000 0.269 120 P C 0.361 177.628 177.300 -0.055 0.000 1.215 120 P CA 0.675 63.752 63.100 -0.038 0.000 0.780 120 P CB 0.532 32.212 31.700 -0.033 0.000 0.898 121 G N 0.128 108.920 108.800 -0.013 0.000 2.531 121 G HA2 0.562 4.522 3.960 -0.000 0.000 0.253 121 G HA3 0.562 4.522 3.960 -0.000 0.000 0.253 121 G C 0.181 175.096 174.900 0.025 0.000 1.439 121 G CA -0.195 44.911 45.100 0.011 0.000 1.056 121 G HN 0.837 nan 8.290 nan 0.000 0.555 122 G N -1.887 106.959 108.800 0.077 0.000 2.660 122 G HA2 0.221 4.181 3.960 -0.000 0.000 0.215 122 G HA3 0.221 4.181 3.960 -0.000 0.000 0.215 122 G C 0.345 175.298 174.900 0.088 0.000 1.345 122 G CA 0.480 45.633 45.100 0.087 0.000 0.877 122 G HN 1.880 nan 8.290 nan 0.000 0.549 123 T N -1.339 113.260 114.554 0.075 0.000 2.855 123 T HA 0.259 4.609 4.350 -0.000 0.000 0.322 123 T C 1.817 176.562 174.700 0.076 0.000 1.088 123 T CA 0.845 62.993 62.100 0.080 0.000 1.104 123 T CB 0.531 69.428 68.868 0.049 0.000 0.996 123 T HN 1.421 nan 8.240 nan 0.000 0.549 124 N N 1.903 120.680 118.700 0.129 0.000 2.430 124 N HA -0.247 4.493 4.740 -0.000 0.000 0.186 124 N C 1.404 176.949 175.510 0.058 0.000 1.032 124 N CA 0.906 54.035 53.050 0.132 0.000 0.893 124 N CB -0.478 38.220 38.487 0.353 0.000 0.957 124 N HN 0.765 nan 8.380 nan 0.000 0.442 125 N N 0.907 119.637 118.700 0.049 0.000 2.520 125 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 125 N C 0.200 175.706 175.510 -0.005 0.000 1.068 125 N CA 0.938 54.003 53.050 0.024 0.000 0.911 125 N CB -0.469 38.031 38.487 0.022 0.000 0.961 125 N HN 0.499 nan 8.380 nan 0.000 0.446 126 N N -0.350 118.338 118.700 -0.021 0.000 2.299 126 N HA 0.003 4.743 4.740 -0.000 0.000 0.187 126 N C 0.335 175.785 175.510 -0.099 0.000 1.099 126 N CA 0.346 53.370 53.050 -0.043 0.000 0.867 126 N CB 0.268 38.737 38.487 -0.030 0.000 0.974 126 N HN 0.528 nan 8.380 nan 0.000 0.477 127 N N -1.481 117.126 118.700 -0.155 0.000 2.778 127 N HA 0.013 4.753 4.740 -0.000 0.000 0.213 127 N C 0.334 175.665 175.510 -0.298 0.000 1.647 127 N CA -0.354 52.511 53.050 -0.309 0.000 1.354 127 N CB -0.270 37.867 38.487 -0.583 0.000 0.851 127 N HN -0.161 nan 8.380 nan 0.000 0.840 128 Y N 0.498 120.691 120.300 -0.177 0.000 2.384 128 Y HA 0.243 4.793 4.550 -0.000 0.000 0.289 128 Y C 1.920 177.686 175.900 -0.225 0.000 1.152 128 Y CA 0.969 58.863 58.100 -0.343 0.000 1.258 128 Y CB -0.514 37.389 38.460 -0.928 0.000 0.979 128 Y HN 0.557 nan 8.280 nan 0.000 0.549 129 A N -0.968 121.860 122.820 0.013 0.000 2.430 129 A HA 0.095 4.415 4.320 -0.000 0.000 0.243 129 A C 0.671 178.275 177.584 0.034 0.000 1.254 129 A CA -0.315 51.771 52.037 0.082 0.000 0.914 129 A CB -0.214 18.878 19.000 0.152 0.000 0.998 129 A HN 0.192 nan 8.150 nan 0.000 0.515 130 N N 1.233 119.933 118.700 0.000 0.000 2.439 130 N HA 0.166 4.905 4.740 -0.000 0.000 0.243 130 N C 1.035 176.543 175.510 -0.003 0.000 1.088 130 N CA 0.095 53.140 53.050 -0.008 0.000 0.940 130 N CB 1.163 39.634 38.487 -0.026 0.000 1.180 130 N HN -0.008 nan 8.380 nan 0.000 0.505 131 V N 3.475 123.386 119.914 -0.006 0.000 2.255 131 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 131 V C 1.619 177.708 176.094 -0.009 0.000 1.051 131 V CA 1.671 63.964 62.300 -0.013 0.000 1.018 131 V CB -0.314 31.489 31.823 -0.033 0.000 0.641 131 V HN 0.594 nan 8.190 nan 0.000 0.445 132 D N -0.287 120.106 120.400 -0.011 0.000 2.149 132 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 132 D C 1.948 178.247 176.300 -0.002 0.000 0.990 132 D CA 1.238 55.233 54.000 -0.008 0.000 0.839 132 D CB -0.282 40.512 40.800 -0.010 0.000 0.948 132 D HN 0.363 nan 8.370 nan 0.000 0.460 133 L N 0.722 121.943 121.223 -0.003 0.000 2.027 133 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 133 L C 2.165 179.044 176.870 0.014 0.000 1.074 133 L CA 1.252 56.091 54.840 -0.001 0.000 0.745 133 L CB -0.449 41.601 42.059 -0.016 0.000 0.898 133 L HN -0.029 nan 8.230 nan 0.000 0.433 134 I N -1.470 119.113 120.570 0.021 0.000 2.208 134 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 134 I C 2.322 178.468 176.117 0.048 0.000 1.097 134 I CA 1.312 62.640 61.300 0.047 0.000 1.363 134 I CB -0.400 37.635 38.000 0.057 0.000 1.051 134 I HN 0.101 nan 8.210 nan 0.000 0.413 135 V N 0.752 120.684 119.914 0.031 0.000 2.358 135 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 135 V C 2.212 178.323 176.094 0.028 0.000 1.047 135 V CA 2.333 64.651 62.300 0.029 0.000 1.035 135 V CB -0.659 31.171 31.823 0.012 0.000 0.658 135 V HN 0.485 nan 8.190 nan 0.000 0.452 136 D N 0.215 120.627 120.400 0.021 0.000 2.097 136 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 136 D C 1.946 178.261 176.300 0.026 0.000 0.989 136 D CA 1.641 55.652 54.000 0.018 0.000 0.827 136 D CB -0.184 40.623 40.800 0.012 0.000 0.966 136 D HN 0.442 nan 8.370 nan 0.000 0.456 137 I N 0.322 120.912 120.570 0.034 0.000 2.315 137 I HA -0.196 3.973 4.170 -0.000 0.000 0.248 137 I C 2.486 178.634 176.117 0.052 0.000 1.117 137 I CA 0.891 62.218 61.300 0.045 0.000 1.404 137 I CB -0.377 37.659 38.000 0.060 0.000 1.071 137 I HN 0.064 nan 8.210 nan 0.000 0.419 138 A N 0.787 123.641 122.820 0.057 0.000 1.908 138 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 138 A C 2.208 179.819 177.584 0.045 0.000 1.181 138 A CA 1.770 53.844 52.037 0.061 0.000 0.627 138 A CB -0.524 18.518 19.000 0.070 0.000 0.818 138 A HN 0.470 nan 8.150 nan 0.000 0.445 139 E N -0.580 119.641 120.200 0.035 0.000 2.046 139 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 139 E C 2.322 178.935 176.600 0.021 0.000 0.982 139 E CA 1.004 57.419 56.400 0.026 0.000 0.800 139 E CB -0.184 29.528 29.700 0.021 0.000 0.756 139 E HN 0.544 nan 8.360 nan 0.000 0.449 140 R N 0.675 121.187 120.500 0.021 0.000 2.096 140 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 140 R C 2.113 178.422 176.300 0.015 0.000 1.127 140 R CA 1.290 57.399 56.100 0.015 0.000 0.968 140 R CB -0.199 30.110 30.300 0.014 0.000 0.861 140 R HN 0.082 nan 8.270 nan 0.000 0.440 141 A N 0.745 123.579 122.820 0.024 0.000 2.251 141 A HA -0.026 4.294 4.320 -0.000 0.000 0.209 141 A C 0.207 177.802 177.584 0.019 0.000 1.187 141 A CA 0.410 52.461 52.037 0.024 0.000 0.823 141 A CB 0.020 19.045 19.000 0.042 0.000 0.846 141 A HN 0.382 nan 8.150 nan 0.000 0.486 142 D N -0.752 119.659 120.400 0.019 0.000 2.689 142 D HA -0.138 4.502 4.640 -0.000 0.000 0.237 142 D C 0.140 176.449 176.300 0.015 0.000 1.148 142 D CA 0.880 54.889 54.000 0.015 0.000 0.656 142 D CB -1.888 38.916 40.800 0.007 0.000 1.050 142 D HN 0.855 nan 8.370 nan 0.000 0.426 143 V N -2.709 117.220 119.914 0.025 0.000 2.904 143 V HA 0.474 4.594 4.120 -0.000 0.000 0.305 143 V C 1.283 177.391 176.094 0.024 0.000 1.067 143 V CA -0.012 62.300 62.300 0.022 0.000 1.044 143 V CB 1.804 33.651 31.823 0.040 0.000 1.050 143 V HN 0.024 nan 8.190 nan 0.000 0.475 144 D N 1.743 122.150 120.400 0.012 0.000 2.271 144 D HA 0.368 5.008 4.640 -0.000 0.000 0.206 144 D C 0.648 176.974 176.300 0.044 0.000 0.967 144 D CA 1.633 55.645 54.000 0.021 0.000 0.867 144 D CB 1.048 41.848 40.800 0.000 0.000 0.960 144 D HN 0.946 nan 8.370 nan 0.000 0.509 145 A N -0.133 122.715 122.820 0.046 0.000 2.599 145 A HA 0.573 4.893 4.320 -0.000 0.000 0.290 145 A C -1.466 176.184 177.584 0.110 0.000 1.101 145 A CA -0.535 51.549 52.037 0.078 0.000 0.674 145 A CB 1.649 20.680 19.000 0.051 0.000 1.277 145 A HN -0.108 nan 8.150 nan 0.000 0.419 146 V N -0.084 119.923 119.914 0.155 0.000 2.656 146 V HA 0.599 4.719 4.120 -0.000 0.000 0.307 146 V C -1.261 174.942 176.094 0.180 0.000 1.051 146 V CA -0.220 62.201 62.300 0.201 0.000 0.893 146 V CB 1.791 33.763 31.823 0.248 0.000 0.999 146 V HN 0.948 nan 8.190 nan 0.000 0.426 147 W N 4.179 125.477 121.300 -0.004 0.000 2.532 147 W HA 0.683 5.343 4.660 -0.000 0.000 0.321 147 W C 0.303 176.786 176.519 -0.060 0.000 1.037 147 W CA -0.173 57.106 57.345 -0.109 0.000 1.220 147 W CB 2.054 31.482 29.460 -0.054 0.000 1.361 147 W HN 0.657 nan 8.180 nan 0.000 0.468 148 A N 4.607 127.061 122.820 -0.609 0.000 2.108 148 A HA 0.492 4.812 4.320 -0.000 0.000 0.206 148 A C 1.613 178.536 177.584 -1.102 0.000 1.212 148 A CA 1.136 52.868 52.037 -0.508 0.000 0.843 148 A CB -0.776 18.194 19.000 -0.050 0.000 0.902 148 A HN 1.547 nan 8.150 nan 0.000 0.477 149 G N -0.409 107.254 108.800 -1.895 0.000 2.601 149 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.306 149 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.306 149 G C 0.098 174.731 174.900 -0.445 0.000 1.172 149 G CA 1.098 45.249 45.100 -1.581 0.000 0.966 149 G HN 1.722 nan 8.290 nan 0.000 0.542 150 W N -0.606 120.507 121.300 -0.311 0.000 2.962 150 W HA 0.720 5.379 4.660 -0.000 0.000 0.341 150 W C 0.559 177.003 176.519 -0.125 0.000 1.155 150 W CA -0.508 56.752 57.345 -0.141 0.000 1.165 150 W CB 0.921 30.349 29.460 -0.053 0.000 1.435 150 W HN 2.438 nan 8.180 nan 0.000 0.546 151 G N 0.582 109.443 108.800 0.102 0.000 2.741 151 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.222 151 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.222 151 G C 0.038 174.889 174.900 -0.083 0.000 1.364 151 G CA 0.720 45.777 45.100 -0.071 0.000 0.866 151 G HN 1.575 nan 8.290 nan 0.000 0.555 152 H N -2.012 117.075 119.070 0.028 0.000 1.452 152 H HA -0.189 4.367 4.556 -0.000 0.000 0.090 152 H C 2.135 177.478 175.328 0.025 0.000 0.968 152 H CA 2.496 58.565 56.048 0.035 0.000 1.901 152 H CB -1.176 28.604 29.762 0.031 0.000 2.257 152 H HN 1.939 nan 8.280 nan 0.000 0.961 153 A N 0.730 123.659 122.820 0.181 0.000 2.415 153 A HA 0.226 4.546 4.320 -0.000 0.000 0.248 153 A C 1.901 179.519 177.584 0.057 0.000 1.299 153 A CA 0.665 52.751 52.037 0.081 0.000 0.899 153 A CB -0.369 18.662 19.000 0.052 0.000 0.997 153 A HN 0.585 nan 8.150 nan 0.000 0.506 154 S N 0.309 116.051 115.700 0.071 0.000 2.419 154 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 154 S C 0.970 175.637 174.600 0.111 0.000 1.019 154 S CA 1.590 59.848 58.200 0.096 0.000 0.982 154 S CB -0.290 62.919 63.200 0.014 0.000 0.789 154 S HN 0.671 nan 8.310 nan 0.000 0.490 155 E N 1.001 121.236 120.200 0.058 0.000 2.499 155 E HA 0.231 4.581 4.350 -0.000 0.000 0.199 155 E C -0.445 176.152 176.600 -0.005 0.000 1.016 155 E CA -0.347 56.080 56.400 0.044 0.000 0.933 155 E CB 0.126 29.856 29.700 0.050 0.000 1.050 155 E HN 0.334 nan 8.360 nan 0.000 0.462 156 N N 2.286 120.959 118.700 -0.045 0.000 2.462 156 N HA 0.071 4.810 4.740 -0.000 0.000 0.242 156 N C -1.582 173.836 175.510 -0.152 0.000 1.010 156 N CA -2.197 50.808 53.050 -0.075 0.000 0.939 156 N CB 1.196 39.647 38.487 -0.061 0.000 1.127 156 N HN -0.090 nan 8.380 nan 0.000 0.509 157 P HA -0.145 nan 4.420 nan 0.000 0.221 157 P C 1.399 178.581 177.300 -0.196 0.000 1.145 157 P CA 0.904 63.903 63.100 -0.167 0.000 0.795 157 P CB 0.503 32.141 31.700 -0.104 0.000 0.775 158 L N -1.520 119.613 121.223 -0.151 0.000 2.275 158 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 158 L C 2.587 179.354 176.870 -0.172 0.000 1.119 158 L CA 0.530 55.289 54.840 -0.135 0.000 0.790 158 L CB -0.840 41.166 42.059 -0.089 0.000 0.919 158 L HN 0.011 nan 8.230 nan 0.000 0.443 159 L N 1.278 122.355 121.223 -0.242 0.000 1.988 159 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 159 L C -0.374 176.275 176.870 -0.368 0.000 1.071 159 L CA 2.065 56.733 54.840 -0.287 0.000 0.744 159 L CB -1.573 40.279 42.059 -0.344 0.000 0.893 159 L HN 0.056 nan 8.230 nan 0.000 0.433 160 P HA -0.157 nan 4.420 nan 0.000 0.219 160 P C 1.174 178.354 177.300 -0.202 0.000 1.150 160 P CA 1.467 64.312 63.100 -0.426 0.000 0.814 160 P CB 0.069 31.458 31.700 -0.519 0.000 0.787 161 E N 0.675 120.743 120.200 -0.219 0.000 2.028 161 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 161 E C 2.146 178.686 176.600 -0.100 0.000 0.988 161 E CA 1.231 57.533 56.400 -0.163 0.000 0.799 161 E CB -0.292 29.314 29.700 -0.158 0.000 0.755 161 E HN 0.284 nan 8.360 nan 0.000 0.447 162 K N 0.461 120.806 120.400 -0.092 0.000 2.148 162 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 162 K C 2.168 178.752 176.600 -0.027 0.000 1.050 162 K CA 0.681 56.937 56.287 -0.053 0.000 0.942 162 K CB -0.038 32.432 32.500 -0.050 0.000 0.724 162 K HN 0.113 nan 8.250 nan 0.000 0.446 163 L N 0.911 122.120 121.223 -0.025 0.000 2.056 163 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 163 L C 2.571 179.463 176.870 0.036 0.000 1.078 163 L CA 1.440 56.294 54.840 0.023 0.000 0.749 163 L CB -0.501 41.595 42.059 0.061 0.000 0.901 163 L HN 0.259 nan 8.230 nan 0.000 0.433 164 S N -1.259 114.458 115.700 0.029 0.000 2.453 164 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 164 S C 1.762 176.378 174.600 0.027 0.000 1.005 164 S CA 0.536 58.766 58.200 0.050 0.000 0.949 164 S CB -0.194 63.050 63.200 0.072 0.000 0.774 164 S HN 0.467 nan 8.310 nan 0.000 0.510 165 Q N 1.313 121.115 119.800 0.004 0.000 2.378 165 Q HA 0.201 4.541 4.340 -0.000 0.000 0.205 165 Q C 0.900 176.902 176.000 0.005 0.000 0.954 165 Q CA 0.308 56.110 55.803 -0.001 0.000 0.901 165 Q CB 0.039 28.768 28.738 -0.016 0.000 0.981 165 Q HN 0.564 nan 8.270 nan 0.000 0.483 166 S N 0.436 116.143 115.700 0.011 0.000 2.572 166 S HA -0.001 4.469 4.470 -0.000 0.000 0.279 166 S C 1.072 175.682 174.600 0.016 0.000 1.341 166 S CA -0.405 57.803 58.200 0.014 0.000 1.043 166 S CB 0.628 63.841 63.200 0.021 0.000 0.887 166 S HN 0.066 nan 8.310 nan 0.000 0.516 167 K N 2.648 123.056 120.400 0.013 0.000 2.362 167 K HA -0.044 4.276 4.320 -0.000 0.000 0.200 167 K C 1.757 178.367 176.600 0.017 0.000 1.046 167 K CA 0.616 56.911 56.287 0.013 0.000 0.952 167 K CB -0.268 32.238 32.500 0.009 0.000 0.753 167 K HN 0.524 nan 8.250 nan 0.000 0.466 168 R N 1.808 122.320 120.500 0.021 0.000 2.275 168 R HA 0.012 4.352 4.340 -0.000 0.000 0.199 168 R C -0.268 176.052 176.300 0.034 0.000 0.989 168 R CA 0.413 56.529 56.100 0.026 0.000 1.016 168 R CB -0.317 29.999 30.300 0.027 0.000 0.918 168 R HN 0.016 nan 8.270 nan 0.000 0.473 169 K N 0.003 120.425 120.400 0.036 0.000 3.451 169 K HA -0.134 4.186 4.320 -0.000 0.000 0.273 169 K C -0.929 175.711 176.600 0.066 0.000 0.944 169 K CA 0.584 56.899 56.287 0.048 0.000 0.734 169 K CB -1.833 30.691 32.500 0.041 0.000 1.437 169 K HN 0.003 nan 8.250 nan 0.000 0.454 170 V N 2.368 122.325 119.914 0.071 0.000 2.555 170 V HA 0.169 4.289 4.120 -0.000 0.000 0.286 170 V C 1.119 177.290 176.094 0.128 0.000 1.044 170 V CA -0.254 62.100 62.300 0.090 0.000 1.026 170 V CB 0.891 32.766 31.823 0.086 0.000 0.981 170 V HN 0.250 nan 8.190 nan 0.000 0.480 171 I N 4.598 125.252 120.570 0.139 0.000 2.581 171 I HA 0.257 4.427 4.170 -0.000 0.000 0.288 171 I C -0.310 175.945 176.117 0.230 0.000 1.047 171 I CA -0.086 61.324 61.300 0.183 0.000 1.374 171 I CB 0.884 38.969 38.000 0.142 0.000 1.423 171 I HN 0.536 nan 8.210 nan 0.000 0.549 172 F N 6.735 126.739 119.950 0.089 0.000 2.411 172 F HA 0.472 4.999 4.527 -0.000 0.000 0.352 172 F C -0.023 175.808 175.800 0.052 0.000 1.123 172 F CA -0.848 57.188 58.000 0.060 0.000 1.044 172 F CB 0.662 39.685 39.000 0.038 0.000 1.135 172 F HN 0.184 nan 8.300 nan 0.000 0.461 173 I N 7.227 127.508 120.570 -0.481 0.000 2.270 173 I HA 0.449 4.619 4.170 -0.000 0.000 0.300 173 I C 0.613 176.305 176.117 -0.709 0.000 1.186 173 I CA 0.257 61.339 61.300 -0.363 0.000 1.431 173 I CB -0.863 37.113 38.000 -0.040 0.000 1.485 173 I HN 0.783 nan 8.210 nan 0.000 0.650 174 G N 6.726 115.172 108.800 -0.590 0.000 2.323 174 G HA2 0.220 4.179 3.960 -0.000 0.000 0.291 174 G HA3 0.220 4.179 3.960 -0.000 0.000 0.291 174 G C -3.285 171.565 174.900 -0.083 0.000 1.278 174 G CA -0.686 44.160 45.100 -0.424 0.000 0.860 174 G HN 0.128 nan 8.290 nan 0.000 0.504 175 P HA 0.322 nan 4.420 nan 0.000 0.274 175 P C -2.580 174.792 177.300 0.120 0.000 1.231 175 P CA -0.965 62.023 63.100 -0.186 0.000 0.790 175 P CB 1.067 32.442 31.700 -0.542 0.000 0.951 176 P HA 0.026 nan 4.420 nan 0.000 0.274 176 P C 1.179 178.454 177.300 -0.042 0.000 1.246 176 P CA 0.044 63.207 63.100 0.105 0.000 0.795 176 P CB 0.339 32.169 31.700 0.217 0.000 1.006 177 G N 1.782 110.487 108.800 -0.159 0.000 2.440 177 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 177 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 177 G C 1.350 176.191 174.900 -0.097 0.000 1.154 177 G CA 0.454 45.459 45.100 -0.158 0.000 0.767 177 G HN 0.473 nan 8.290 nan 0.000 0.552 178 N N 1.213 119.849 118.700 -0.107 0.000 2.205 178 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 178 N C 2.459 177.978 175.510 0.014 0.000 1.015 178 N CA 1.261 54.285 53.050 -0.042 0.000 0.862 178 N CB -0.384 38.083 38.487 -0.034 0.000 0.986 178 N HN 0.348 nan 8.380 nan 0.000 0.429 179 A N 1.109 123.949 122.820 0.035 0.000 1.897 179 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 179 A C 2.321 179.970 177.584 0.108 0.000 1.181 179 A CA 1.003 53.095 52.037 0.092 0.000 0.620 179 A CB -0.405 18.643 19.000 0.081 0.000 0.821 179 A HN 0.159 nan 8.150 nan 0.000 0.443 180 M N -1.008 118.635 119.600 0.071 0.000 2.117 180 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 180 M C 2.327 178.656 176.300 0.048 0.000 1.065 180 M CA 1.545 56.889 55.300 0.072 0.000 1.114 180 M CB -0.308 32.307 32.600 0.026 0.000 1.361 180 M HN 0.331 nan 8.290 nan 0.000 0.408 181 R N -0.615 119.898 120.500 0.022 0.000 2.148 181 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 181 R C 2.175 178.497 176.300 0.037 0.000 1.088 181 R CA 1.022 57.132 56.100 0.017 0.000 0.985 181 R CB -0.251 30.046 30.300 -0.005 0.000 0.880 181 R HN 0.254 nan 8.270 nan 0.000 0.451 182 S N 0.806 116.535 115.700 0.049 0.000 2.469 182 S HA -0.017 4.453 4.470 -0.000 0.000 0.238 182 S C 0.756 175.389 174.600 0.056 0.000 0.998 182 S CA 0.786 59.020 58.200 0.056 0.000 0.957 182 S CB 0.059 63.298 63.200 0.065 0.000 0.764 182 S HN 0.209 nan 8.310 nan 0.000 0.514 183 L N 1.505 122.764 121.223 0.061 0.000 2.506 183 L HA 0.386 4.726 4.340 -0.000 0.000 0.247 183 L C 1.159 178.061 176.870 0.053 0.000 1.141 183 L CA -0.796 54.079 54.840 0.059 0.000 0.973 183 L CB 0.539 42.645 42.059 0.078 0.000 1.319 183 L HN 0.170 nan 8.230 nan 0.000 0.455 184 G N 1.315 110.147 108.800 0.054 0.000 2.913 184 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.145 184 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.145 184 G C 0.068 174.998 174.900 0.050 0.000 1.801 184 G CA -0.003 45.130 45.100 0.054 0.000 1.033 184 G HN 0.595 nan 8.290 nan 0.000 0.495 185 D N -0.621 119.824 120.400 0.075 0.000 2.312 185 D HA 0.106 4.746 4.640 -0.000 0.000 0.244 185 D C 1.351 177.644 176.300 -0.012 0.000 1.328 185 D CA -0.050 53.987 54.000 0.063 0.000 0.965 185 D CB 0.562 41.443 40.800 0.134 0.000 1.140 185 D HN 0.362 nan 8.370 nan 0.000 0.523 186 K N -0.605 119.758 120.400 -0.061 0.000 2.057 186 K HA -0.071 4.248 4.320 -0.000 0.000 0.207 186 K C 2.107 178.409 176.600 -0.496 0.000 1.049 186 K CA 1.294 57.438 56.287 -0.240 0.000 0.931 186 K CB -0.350 32.041 32.500 -0.182 0.000 0.714 186 K HN 0.420 nan 8.250 nan 0.000 0.440 187 I N 0.505 120.764 120.570 -0.518 0.000 2.113 187 I HA -0.305 3.865 4.170 -0.000 0.000 0.238 187 I C 2.671 178.611 176.117 -0.294 0.000 1.070 187 I CA 1.190 62.154 61.300 -0.560 0.000 1.332 187 I CB -0.469 37.151 38.000 -0.633 0.000 1.044 187 I HN 0.174 nan 8.210 nan 0.000 0.402 188 S N 0.011 115.644 115.700 -0.112 0.000 2.370 188 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 188 S C 2.290 176.887 174.600 -0.005 0.000 1.033 188 S CA 2.064 60.290 58.200 0.044 0.000 1.011 188 S CB -0.363 62.949 63.200 0.187 0.000 0.852 188 S HN 0.467 nan 8.310 nan 0.000 0.457 189 S N -0.023 115.654 115.700 -0.039 0.000 2.370 189 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 189 S C 1.910 176.478 174.600 -0.053 0.000 1.033 189 S CA 2.207 60.397 58.200 -0.016 0.000 1.011 189 S CB -1.031 62.185 63.200 0.027 0.000 0.852 189 S HN 0.734 nan 8.310 nan 0.000 0.457 190 T N 2.227 116.684 114.554 -0.162 0.000 2.821 190 T HA 0.101 4.451 4.350 -0.000 0.000 0.267 190 T C 1.739 176.423 174.700 -0.026 0.000 1.046 190 T CA 1.318 63.298 62.100 -0.201 0.000 1.139 190 T CB -0.313 68.092 68.868 -0.773 0.000 0.871 190 T HN 0.407 nan 8.240 nan 0.000 0.454 191 I N 0.834 121.441 120.570 0.061 0.000 2.226 191 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 191 I C 2.450 178.591 176.117 0.040 0.000 1.100 191 I CA 0.892 62.271 61.300 0.131 0.000 1.374 191 I CB -0.430 37.645 38.000 0.124 0.000 1.057 191 I HN 0.090 nan 8.210 nan 0.000 0.413 192 V N 1.093 121.002 119.914 -0.008 0.000 2.343 192 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 192 V C 2.730 178.758 176.094 -0.110 0.000 1.051 192 V CA 2.007 64.284 62.300 -0.039 0.000 1.036 192 V CB -0.955 30.844 31.823 -0.040 0.000 0.654 192 V HN 0.492 nan 8.190 nan 0.000 0.451 193 A N -0.668 122.019 122.820 -0.222 0.000 1.877 193 A HA -0.290 4.029 4.320 -0.000 0.000 0.216 193 A C 2.160 179.651 177.584 -0.155 0.000 1.186 193 A CA 1.941 53.755 52.037 -0.372 0.000 0.620 193 A CB -0.499 18.025 19.000 -0.793 0.000 0.822 193 A HN 0.636 nan 8.150 nan 0.000 0.443 194 Q N 0.125 119.898 119.800 -0.046 0.000 2.170 194 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 194 Q C 2.322 178.333 176.000 0.018 0.000 0.976 194 Q CA 1.689 57.512 55.803 0.033 0.000 0.858 194 Q CB -0.300 28.508 28.738 0.117 0.000 0.907 194 Q HN 0.855 nan 8.270 nan 0.000 0.433 195 S N 0.085 115.787 115.700 0.004 0.000 2.453 195 S HA 0.030 4.500 4.470 -0.000 0.000 0.231 195 S C 1.788 176.386 174.600 -0.003 0.000 1.005 195 S CA 0.648 58.852 58.200 0.007 0.000 0.949 195 S CB 0.059 63.265 63.200 0.010 0.000 0.774 195 S HN 0.325 nan 8.310 nan 0.000 0.510 196 A N 1.091 123.895 122.820 -0.026 0.000 2.337 196 A HA 0.415 4.735 4.320 -0.000 0.000 0.227 196 A C 0.729 178.312 177.584 -0.002 0.000 1.259 196 A CA -0.255 51.769 52.037 -0.023 0.000 0.870 196 A CB -0.616 18.349 19.000 -0.059 0.000 0.927 196 A HN 0.503 nan 8.150 nan 0.000 0.497 197 K N -1.082 119.323 120.400 0.008 0.000 3.117 197 K HA -0.121 4.199 4.320 -0.000 0.000 0.269 197 K C -0.657 175.971 176.600 0.048 0.000 1.098 197 K CA 0.648 56.952 56.287 0.028 0.000 0.785 197 K CB -2.193 30.325 32.500 0.030 0.000 1.242 197 K HN 0.264 nan 8.250 nan 0.000 0.491 198 V N 1.004 120.943 119.914 0.041 0.000 2.407 198 V HA 0.224 4.344 4.120 -0.000 0.000 0.278 198 V C -1.854 174.318 176.094 0.130 0.000 1.037 198 V CA -1.837 60.529 62.300 0.111 0.000 0.900 198 V CB 1.274 33.120 31.823 0.038 0.000 0.983 198 V HN 0.014 nan 8.190 nan 0.000 0.459 199 P HA 0.185 nan 4.420 nan 0.000 0.264 199 P C -0.662 176.806 177.300 0.280 0.000 1.193 199 P CA 0.031 63.171 63.100 0.067 0.000 0.763 199 P CB 0.318 31.833 31.700 -0.308 0.000 0.810 200 C N 3.678 123.182 119.300 0.339 0.000 2.779 200 C HA 0.465 4.925 4.460 -0.000 0.000 0.314 200 C C 0.595 175.797 174.990 0.355 0.000 1.231 200 C CA -0.731 58.508 59.018 0.369 0.000 1.652 200 C CB 1.088 28.974 27.740 0.244 0.000 2.198 200 C HN 0.525 nan 8.230 nan 0.000 0.483 201 I N 3.255 123.912 120.570 0.146 0.000 2.710 201 I HA 0.087 4.257 4.170 -0.000 0.000 0.286 201 I C -1.963 174.220 176.117 0.111 0.000 1.181 201 I CA -0.757 60.473 61.300 -0.117 0.000 1.430 201 I CB 0.290 38.209 38.000 -0.136 0.000 1.367 201 I HN 0.356 nan 8.210 nan 0.000 0.577 202 P HA -0.063 nan 4.420 nan 0.000 0.261 202 P C -0.962 176.522 177.300 0.307 0.000 1.183 202 P CA 0.453 63.654 63.100 0.169 0.000 0.761 202 P CB 0.247 31.969 31.700 0.036 0.000 0.785 203 W N 0.883 122.187 121.300 0.006 0.000 2.961 203 W HA 0.276 4.936 4.660 -0.000 0.000 0.368 203 W C 0.527 177.070 176.519 0.039 0.000 1.213 203 W CA -0.743 56.630 57.345 0.047 0.000 1.173 203 W CB -0.085 29.437 29.460 0.103 0.000 1.487 203 W HN 0.314 nan 8.180 nan 0.000 0.585 204 S N -0.333 115.365 115.700 -0.004 0.000 2.500 204 S HA 0.049 4.519 4.470 -0.000 0.000 0.239 204 S C 1.281 175.434 174.600 -0.745 0.000 0.989 204 S CA 1.394 59.448 58.200 -0.242 0.000 0.951 204 S CB -0.648 62.559 63.200 0.013 0.000 0.759 204 S HN 0.936 nan 8.310 nan 0.000 0.523 205 G N 0.378 108.010 108.800 -1.947 0.000 3.324 205 G HA2 0.265 4.225 3.960 -0.000 0.000 0.251 205 G HA3 0.265 4.225 3.960 -0.000 0.000 0.251 205 G C 0.116 174.114 174.900 -1.503 0.000 1.072 205 G CA -0.406 43.365 45.100 -2.214 0.000 0.787 205 G HN 0.409 nan 8.290 nan 0.000 0.537 206 T N 0.854 114.671 114.554 -1.228 0.000 2.933 206 T HA 0.369 4.719 4.350 -0.000 0.000 0.306 206 T C 1.621 176.193 174.700 -0.214 0.000 1.045 206 T CA 1.642 63.528 62.100 -0.357 0.000 1.143 206 T CB 0.788 69.569 68.868 -0.146 0.000 1.003 206 T HN 0.984 nan 8.240 nan 0.000 0.540 207 G N 2.187 110.954 108.800 -0.055 0.000 2.268 207 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.240 207 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.240 207 G C 0.260 175.136 174.900 -0.041 0.000 1.010 207 G CA -0.083 44.991 45.100 -0.044 0.000 0.618 207 G HN 0.809 nan 8.290 nan 0.000 0.516 208 V N 2.691 122.560 119.914 -0.076 0.000 2.397 208 V HA 0.472 4.592 4.120 -0.000 0.000 0.262 208 V C 0.465 176.580 176.094 0.035 0.000 1.047 208 V CA 0.901 63.175 62.300 -0.043 0.000 1.003 208 V CB 1.106 32.866 31.823 -0.105 0.000 1.037 208 V HN 0.582 nan 8.190 nan 0.000 0.480 209 D N 1.499 121.918 120.400 0.032 0.000 2.712 209 D HA 0.078 4.718 4.640 -0.000 0.000 0.300 209 D C 0.199 176.521 176.300 0.037 0.000 1.521 209 D CA -0.262 53.764 54.000 0.044 0.000 0.790 209 D CB 0.166 40.989 40.800 0.038 0.000 1.155 209 D HN 0.374 nan 8.370 nan 0.000 0.456 210 T N 0.980 115.558 114.554 0.040 0.000 2.733 210 T HA 0.533 4.883 4.350 -0.000 0.000 0.294 210 T C 0.247 174.986 174.700 0.064 0.000 0.956 210 T CA -0.537 61.590 62.100 0.045 0.000 0.987 210 T CB 1.414 70.308 68.868 0.043 0.000 0.920 210 T HN 0.225 nan 8.240 nan 0.000 0.470 211 V N 1.050 121.001 119.914 0.062 0.000 2.960 211 V HA 0.635 4.755 4.120 -0.000 0.000 0.315 211 V C -0.628 175.529 176.094 0.106 0.000 1.087 211 V CA -1.046 61.305 62.300 0.085 0.000 0.982 211 V CB 2.132 33.991 31.823 0.060 0.000 1.039 211 V HN 0.875 nan 8.190 nan 0.000 0.437 212 H N 1.688 120.776 119.070 0.030 0.000 2.511 212 H HA 0.696 5.252 4.556 -0.000 0.000 0.328 212 H C -1.760 173.580 175.328 0.021 0.000 1.044 212 H CA -0.439 55.623 56.048 0.024 0.000 1.212 212 H CB 1.921 31.697 29.762 0.023 0.000 1.428 212 H HN 0.632 nan 8.280 nan 0.000 0.483 213 V N 6.190 125.902 119.914 -0.338 0.000 2.357 213 V HA 0.012 4.132 4.120 -0.000 0.000 0.284 213 V C 0.464 176.391 176.094 -0.279 0.000 1.018 213 V CA -0.963 61.226 62.300 -0.184 0.000 0.841 213 V CB 1.315 33.077 31.823 -0.102 0.000 0.991 213 V HN 0.779 nan 8.190 nan 0.000 0.437 214 D N 4.600 124.955 120.400 -0.076 0.000 2.426 214 D HA -0.054 4.586 4.640 -0.000 0.000 0.261 214 D C 1.424 177.700 176.300 -0.040 0.000 1.245 214 D CA 0.112 54.109 54.000 -0.006 0.000 0.917 214 D CB 0.957 41.801 40.800 0.073 0.000 1.123 214 D HN 0.850 nan 8.370 nan 0.000 0.508 215 E N 2.937 123.102 120.200 -0.058 0.000 2.448 215 E HA -0.210 4.140 4.350 -0.000 0.000 0.203 215 E C 0.662 177.251 176.600 -0.018 0.000 1.046 215 E CA 0.988 57.363 56.400 -0.041 0.000 0.871 215 E CB 0.117 29.795 29.700 -0.037 0.000 0.790 215 E HN 0.443 nan 8.360 nan 0.000 0.545 216 K N -0.160 120.236 120.400 -0.007 0.000 2.436 216 K HA 0.052 4.372 4.320 -0.000 0.000 0.198 216 K C 1.843 178.438 176.600 -0.008 0.000 1.174 216 K CA 1.035 57.318 56.287 -0.007 0.000 0.951 216 K CB 0.846 33.344 32.500 -0.002 0.000 1.040 216 K HN 0.206 nan 8.250 nan 0.000 0.536 217 T N -3.396 111.159 114.554 0.002 0.000 2.971 217 T HA 0.206 4.556 4.350 -0.000 0.000 0.252 217 T C 1.477 176.185 174.700 0.013 0.000 1.022 217 T CA 0.619 62.723 62.100 0.006 0.000 0.980 217 T CB 0.819 69.694 68.868 0.013 0.000 1.044 217 T HN 0.247 nan 8.240 nan 0.000 0.501 218 G N 1.380 110.187 108.800 0.011 0.000 2.179 218 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 218 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 218 G C -0.014 174.903 174.900 0.030 0.000 0.977 218 G CA 0.156 45.267 45.100 0.018 0.000 0.641 218 G HN 0.809 nan 8.290 nan 0.000 0.533 219 L N 1.726 122.969 121.223 0.033 0.000 2.559 219 L HA 0.497 4.837 4.340 -0.000 0.000 0.274 219 L C 0.540 177.448 176.870 0.063 0.000 1.205 219 L CA 0.040 54.906 54.840 0.044 0.000 0.907 219 L CB 0.935 43.018 42.059 0.040 0.000 1.153 219 L HN 0.158 nan 8.230 nan 0.000 0.490 220 V N 5.727 125.678 119.914 0.062 0.000 2.427 220 V HA 0.714 4.834 4.120 -0.000 0.000 0.286 220 V C 0.235 176.384 176.094 0.091 0.000 1.034 220 V CA 0.113 62.457 62.300 0.073 0.000 0.893 220 V CB 1.103 32.957 31.823 0.053 0.000 0.982 220 V HN 1.037 nan 8.190 nan 0.000 0.452 221 S N 3.583 119.360 115.700 0.128 0.000 2.685 221 S HA 0.853 5.323 4.470 -0.000 0.000 0.282 221 S C -1.137 173.540 174.600 0.128 0.000 1.159 221 S CA -0.834 57.433 58.200 0.113 0.000 0.833 221 S CB 2.145 65.397 63.200 0.087 0.000 1.151 221 S HN 0.387 nan 8.310 nan 0.000 0.485 222 V N 2.053 122.038 119.914 0.119 0.000 2.483 222 V HA 0.403 4.523 4.120 -0.000 0.000 0.297 222 V C -0.917 175.242 176.094 0.110 0.000 1.027 222 V CA -0.814 61.570 62.300 0.140 0.000 0.855 222 V CB 1.456 33.397 31.823 0.197 0.000 0.995 222 V HN 0.919 nan 8.190 nan 0.000 0.424 223 D N 3.238 123.684 120.400 0.078 0.000 2.443 223 D HA 0.023 4.663 4.640 -0.000 0.000 0.239 223 D C 0.898 177.237 176.300 0.067 0.000 1.136 223 D CA 0.002 54.020 54.000 0.030 0.000 0.879 223 D CB 1.137 41.949 40.800 0.019 0.000 1.195 223 D HN 0.521 nan 8.370 nan 0.000 0.443 224 D N 1.367 121.778 120.400 0.018 0.000 2.149 224 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 224 D C 1.362 177.712 176.300 0.083 0.000 1.001 224 D CA 1.259 55.275 54.000 0.026 0.000 0.849 224 D CB -0.068 40.715 40.800 -0.028 0.000 0.939 224 D HN 0.574 nan 8.370 nan 0.000 0.449 225 D N 0.462 120.895 120.400 0.056 0.000 2.263 225 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 225 D C 1.896 178.238 176.300 0.069 0.000 0.971 225 D CA 0.514 54.547 54.000 0.055 0.000 0.867 225 D CB -0.257 40.563 40.800 0.034 0.000 0.929 225 D HN 0.245 nan 8.370 nan 0.000 0.492 226 I N -0.543 120.081 120.570 0.091 0.000 2.628 226 I HA -0.079 4.091 4.170 -0.000 0.000 0.255 226 I C 2.239 178.425 176.117 0.116 0.000 1.119 226 I CA 0.199 61.549 61.300 0.084 0.000 1.448 226 I CB -1.292 36.758 38.000 0.083 0.000 1.133 226 I HN -0.055 nan 8.210 nan 0.000 0.438 227 Y N 2.807 123.126 120.300 0.032 0.000 2.128 227 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 227 Y C 2.654 178.582 175.900 0.047 0.000 1.154 227 Y CA 1.858 59.988 58.100 0.049 0.000 1.149 227 Y CB -0.247 38.240 38.460 0.046 0.000 0.976 227 Y HN 0.168 nan 8.280 nan 0.000 0.505 228 Q N 0.588 120.594 119.800 0.342 0.000 2.291 228 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 228 Q C 2.137 178.188 176.000 0.084 0.000 0.976 228 Q CA 1.497 57.437 55.803 0.228 0.000 0.875 228 Q CB -0.383 28.453 28.738 0.164 0.000 0.927 228 Q HN 0.558 nan 8.270 nan 0.000 0.450 229 K N 0.003 120.423 120.400 0.032 0.000 2.280 229 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 229 K C 1.456 177.985 176.600 -0.119 0.000 1.047 229 K CA 1.238 57.502 56.287 -0.038 0.000 0.942 229 K CB -0.070 32.401 32.500 -0.048 0.000 0.739 229 K HN 0.215 nan 8.250 nan 0.000 0.457 230 G N -0.417 108.291 108.800 -0.153 0.000 3.337 230 G HA2 0.114 4.074 3.960 -0.000 0.000 0.246 230 G HA3 0.114 4.074 3.960 -0.000 0.000 0.246 230 G C -0.245 174.623 174.900 -0.055 0.000 1.131 230 G CA -0.459 44.474 45.100 -0.278 0.000 0.773 230 G HN 0.192 nan 8.290 nan 0.000 0.544 231 C N -0.329 118.992 119.300 0.035 0.000 2.401 231 C HA 0.612 5.072 4.460 -0.000 0.000 0.356 231 C C 0.601 175.674 174.990 0.139 0.000 1.192 231 C CA -0.854 58.252 59.018 0.147 0.000 2.028 231 C CB 1.183 29.045 27.740 0.204 0.000 2.344 231 C HN 0.361 nan 8.230 nan 0.000 0.525 232 C N 1.751 121.168 119.300 0.195 0.000 2.388 232 C HA 0.434 4.894 4.460 -0.000 0.000 0.362 232 C C 1.876 176.968 174.990 0.170 0.000 1.266 232 C CA -0.249 58.888 59.018 0.197 0.000 2.028 232 C CB 0.413 28.360 27.740 0.344 0.000 2.440 232 C HN 1.053 nan 8.230 nan 0.000 0.547 233 T N -1.160 113.457 114.554 0.105 0.000 3.065 233 T HA 0.182 4.532 4.350 -0.000 0.000 0.252 233 T C 0.456 175.192 174.700 0.061 0.000 1.099 233 T CA 0.606 62.754 62.100 0.081 0.000 1.063 233 T CB -0.101 68.796 68.868 0.049 0.000 0.948 233 T HN 0.940 nan 8.240 nan 0.000 0.506 234 S N -0.596 115.119 115.700 0.024 0.000 2.627 234 S HA 0.443 4.913 4.470 -0.000 0.000 0.268 234 S C -2.958 171.440 174.600 -0.336 0.000 1.130 234 S CA -1.073 57.078 58.200 -0.082 0.000 0.819 234 S CB 1.218 64.386 63.200 -0.052 0.000 1.100 234 S HN -0.141 nan 8.310 nan 0.000 0.465 235 P HA -0.066 nan 4.420 nan 0.000 0.215 235 P C 1.416 178.542 177.300 -0.291 0.000 1.153 235 P CA 1.584 64.078 63.100 -1.010 0.000 0.853 235 P CB 0.086 31.343 31.700 -0.738 0.000 0.788 236 E N 0.073 120.179 120.200 -0.156 0.000 2.110 236 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 236 E C 1.707 178.263 176.600 -0.074 0.000 0.988 236 E CA 1.543 57.903 56.400 -0.067 0.000 0.804 236 E CB -1.078 28.597 29.700 -0.041 0.000 0.745 236 E HN 0.099 nan 8.360 nan 0.000 0.458 237 D N -0.943 119.415 120.400 -0.070 0.000 2.117 237 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 237 D C 1.957 178.240 176.300 -0.029 0.000 0.982 237 D CA 1.724 55.700 54.000 -0.039 0.000 0.828 237 D CB -0.674 40.121 40.800 -0.009 0.000 0.967 237 D HN 0.276 nan 8.370 nan 0.000 0.464 238 G N 0.292 109.108 108.800 0.027 0.000 2.422 238 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 238 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 238 G C 1.528 176.303 174.900 -0.209 0.000 1.146 238 G CA 0.918 46.128 45.100 0.184 0.000 0.769 238 G HN 0.356 nan 8.290 nan 0.000 0.547 239 L N 0.253 121.215 121.223 -0.434 0.000 2.046 239 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 239 L C 2.748 179.369 176.870 -0.416 0.000 1.077 239 L CA 1.794 56.119 54.840 -0.859 0.000 0.747 239 L CB -0.536 41.291 42.059 -0.387 0.000 0.896 239 L HN 0.119 nan 8.230 nan 0.000 0.432 240 Q N 0.140 119.809 119.800 -0.218 0.000 2.084 240 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 240 Q C 2.278 178.192 176.000 -0.144 0.000 0.978 240 Q CA 1.772 57.494 55.803 -0.136 0.000 0.844 240 Q CB -0.345 28.342 28.738 -0.085 0.000 0.898 240 Q HN 0.581 nan 8.270 nan 0.000 0.426 241 K N 0.297 120.610 120.400 -0.144 0.000 2.097 241 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 241 K C 2.069 178.560 176.600 -0.182 0.000 1.049 241 K CA 1.057 57.270 56.287 -0.122 0.000 0.933 241 K CB -0.111 32.352 32.500 -0.062 0.000 0.717 241 K HN 0.142 nan 8.250 nan 0.000 0.442 242 A N 1.814 124.447 122.820 -0.311 0.000 1.898 242 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 242 A C 1.885 179.171 177.584 -0.497 0.000 1.181 242 A CA 1.412 53.144 52.037 -0.509 0.000 0.620 242 A CB -0.250 18.238 19.000 -0.854 0.000 0.819 242 A HN 0.164 nan 8.150 nan 0.000 0.442 243 K N -0.790 119.459 120.400 -0.253 0.000 2.063 243 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 243 K C 2.386 178.946 176.600 -0.068 0.000 1.048 243 K CA 1.579 57.840 56.287 -0.043 0.000 0.928 243 K CB -0.178 32.330 32.500 0.013 0.000 0.713 243 K HN 0.483 nan 8.250 nan 0.000 0.442 244 R N 1.154 121.597 120.500 -0.095 0.000 2.081 244 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 244 R C 2.163 178.419 176.300 -0.075 0.000 1.131 244 R CA 1.303 57.361 56.100 -0.071 0.000 0.960 244 R CB -0.171 30.084 30.300 -0.074 0.000 0.856 244 R HN 0.137 nan 8.270 nan 0.000 0.436 245 I N 0.078 120.580 120.570 -0.113 0.000 2.315 245 I HA -0.016 4.154 4.170 -0.000 0.000 0.248 245 I C 0.831 176.890 176.117 -0.097 0.000 1.117 245 I CA 0.977 62.219 61.300 -0.098 0.000 1.404 245 I CB -0.286 37.648 38.000 -0.110 0.000 1.071 245 I HN 0.505 nan 8.210 nan 0.000 0.419 246 G N 0.792 109.504 108.800 -0.146 0.000 3.209 246 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 246 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 246 G C -0.533 174.301 174.900 -0.110 0.000 1.065 246 G CA -0.969 44.093 45.100 -0.062 0.000 0.812 246 G HN 0.004 nan 8.290 nan 0.000 0.573 247 F N 3.358 123.317 119.950 0.015 0.000 2.410 247 F HA 0.536 5.063 4.527 -0.000 0.000 0.334 247 F C -0.313 175.506 175.800 0.032 0.000 1.134 247 F CA -0.861 57.159 58.000 0.034 0.000 1.227 247 F CB 0.781 39.803 39.000 0.037 0.000 1.194 247 F HN 0.446 nan 8.300 nan 0.000 0.571 248 P HA 0.363 nan 4.420 nan 0.000 0.277 248 P C -1.121 176.232 177.300 0.088 0.000 1.240 248 P CA -0.251 63.000 63.100 0.252 0.000 0.798 248 P CB 1.683 33.492 31.700 0.182 0.000 0.979 249 V N -1.354 118.605 119.914 0.075 0.000 3.158 249 V HA 0.689 4.809 4.120 -0.000 0.000 0.311 249 V C -0.558 175.565 176.094 0.049 0.000 1.181 249 V CA -1.088 61.206 62.300 -0.009 0.000 1.054 249 V CB 2.286 34.020 31.823 -0.148 0.000 1.085 249 V HN 0.315 nan 8.190 nan 0.000 0.446 250 M N 2.258 121.863 119.600 0.009 0.000 2.311 250 M HA 0.592 5.072 4.480 -0.000 0.000 0.325 250 M C -0.897 175.336 176.300 -0.112 0.000 1.061 250 M CA -0.361 54.916 55.300 -0.039 0.000 0.957 250 M CB 1.465 34.030 32.600 -0.058 0.000 1.646 250 M HN 0.632 nan 8.290 nan 0.000 0.434 251 I N 3.677 124.152 120.570 -0.158 0.000 2.331 251 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 251 I C -0.051 175.839 176.117 -0.379 0.000 0.998 251 I CA -0.369 60.772 61.300 -0.265 0.000 1.267 251 I CB 0.923 38.728 38.000 -0.324 0.000 1.386 251 I HN 0.501 nan 8.210 nan 0.000 0.476 252 K N 5.387 125.435 120.400 -0.587 0.000 2.482 252 K HA 0.648 4.968 4.320 -0.000 0.000 0.251 252 K C -1.011 175.331 176.600 -0.429 0.000 0.936 252 K CA -0.760 55.184 56.287 -0.572 0.000 0.791 252 K CB 2.494 34.528 32.500 -0.778 0.000 1.213 252 K HN 0.623 nan 8.250 nan 0.000 0.428 253 A N 1.627 124.328 122.820 -0.198 0.000 2.302 253 A HA 0.176 4.496 4.320 -0.000 0.000 0.295 253 A C 1.270 178.906 177.584 0.086 0.000 1.235 253 A CA -0.259 51.746 52.037 -0.054 0.000 0.876 253 A CB 0.162 19.125 19.000 -0.063 0.000 1.133 253 A HN 0.878 nan 8.150 nan 0.000 0.533 254 S N 2.233 118.078 115.700 0.242 0.000 2.402 254 S HA -0.213 4.257 4.470 -0.000 0.000 0.233 254 S C 0.853 175.554 174.600 0.170 0.000 1.030 254 S CA 1.873 60.255 58.200 0.304 0.000 1.003 254 S CB -0.377 63.027 63.200 0.340 0.000 0.813 254 S HN 0.792 nan 8.310 nan 0.000 0.477 255 E N 1.628 121.899 120.200 0.118 0.000 2.437 255 E HA 0.249 4.598 4.350 -0.000 0.000 0.189 255 E C 0.935 177.560 176.600 0.042 0.000 1.054 255 E CA -0.117 56.326 56.400 0.072 0.000 0.874 255 E CB -0.040 29.694 29.700 0.057 0.000 1.011 255 E HN 0.632 nan 8.360 nan 0.000 0.474 256 G N 1.163 109.987 108.800 0.039 0.000 2.414 256 G HA2 0.241 4.201 3.960 -0.000 0.000 0.236 256 G HA3 0.241 4.201 3.960 -0.000 0.000 0.236 256 G C 0.137 175.041 174.900 0.007 0.000 1.293 256 G CA -0.102 45.003 45.100 0.009 0.000 0.869 256 G HN 0.166 nan 8.290 nan 0.000 0.556 257 G N 0.127 108.926 108.800 -0.003 0.000 2.417 257 G HA2 0.618 4.578 3.960 -0.000 0.000 0.320 257 G HA3 0.618 4.578 3.960 -0.000 0.000 0.320 257 G C 0.824 175.718 174.900 -0.010 0.000 1.204 257 G CA 0.499 45.597 45.100 -0.004 0.000 0.923 257 G HN 1.732 nan 8.290 nan 0.000 0.466 258 G N 2.234 111.027 108.800 -0.012 0.000 2.686 258 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.329 258 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.329 258 G C 1.291 176.179 174.900 -0.020 0.000 1.187 258 G CA 0.817 45.908 45.100 -0.015 0.000 0.965 258 G HN 1.858 nan 8.290 nan 0.000 0.549 259 G N 0.437 109.228 108.800 -0.016 0.000 3.575 259 G HA2 0.521 4.481 3.960 -0.000 0.000 0.273 259 G HA3 0.521 4.481 3.960 -0.000 0.000 0.273 259 G C 0.444 175.330 174.900 -0.023 0.000 1.053 259 G CA 0.657 45.747 45.100 -0.017 0.000 0.803 259 G HN 0.622 nan 8.290 nan 0.000 0.528 260 K N -0.126 120.259 120.400 -0.024 0.000 2.098 260 K HA 0.516 4.836 4.320 -0.000 0.000 0.258 260 K C 1.027 177.601 176.600 -0.043 0.000 0.973 260 K CA -0.009 56.260 56.287 -0.029 0.000 0.898 260 K CB 1.785 34.273 32.500 -0.021 0.000 1.057 260 K HN 0.152 nan 8.250 nan 0.000 0.447 261 G N 1.559 110.324 108.800 -0.058 0.000 2.143 261 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 261 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 261 G C -0.103 174.720 174.900 -0.127 0.000 0.991 261 G CA -0.031 45.016 45.100 -0.088 0.000 0.689 261 G HN 0.492 nan 8.290 nan 0.000 0.522 262 I N -0.323 120.181 120.570 -0.110 0.000 2.582 262 I HA 0.691 4.861 4.170 -0.000 0.000 0.292 262 I C -0.226 175.829 176.117 -0.105 0.000 1.066 262 I CA -1.113 60.111 61.300 -0.127 0.000 1.053 262 I CB 2.088 40.030 38.000 -0.096 0.000 1.241 262 I HN -0.103 nan 8.210 nan 0.000 0.421 263 R N 4.714 125.143 120.500 -0.119 0.000 2.548 263 R HA 0.360 4.700 4.340 -0.000 0.000 0.280 263 R C -1.356 174.911 176.300 -0.054 0.000 1.061 263 R CA -0.826 55.224 56.100 -0.082 0.000 0.915 263 R CB 2.407 32.644 30.300 -0.104 0.000 1.210 263 R HN 0.619 nan 8.270 nan 0.000 0.442 264 Q N 1.654 121.449 119.800 -0.009 0.000 2.261 264 Q HA 0.452 4.792 4.340 -0.000 0.000 0.252 264 Q C -0.311 175.732 176.000 0.071 0.000 0.915 264 Q CA -0.619 55.203 55.803 0.032 0.000 0.915 264 Q CB 2.136 30.900 28.738 0.042 0.000 1.204 264 Q HN 0.199 nan 8.270 nan 0.000 0.421 265 V N 2.785 122.787 119.914 0.147 0.000 2.409 265 V HA 0.103 4.223 4.120 -0.000 0.000 0.291 265 V C 0.543 176.830 176.094 0.323 0.000 1.020 265 V CA -0.528 61.923 62.300 0.251 0.000 0.848 265 V CB 1.557 33.650 31.823 0.450 0.000 0.990 265 V HN 0.769 nan 8.190 nan 0.000 0.430 266 E N 3.171 123.489 120.200 0.196 0.000 2.140 266 E HA 0.145 4.495 4.350 -0.000 0.000 0.191 266 E C 0.511 177.143 176.600 0.053 0.000 0.973 266 E CA 0.603 57.093 56.400 0.150 0.000 0.829 266 E CB 0.496 30.238 29.700 0.071 0.000 0.781 266 E HN 0.584 nan 8.360 nan 0.000 0.466 267 R N -0.136 120.300 120.500 -0.108 0.000 2.771 267 R HA 0.272 4.612 4.340 -0.000 0.000 0.274 267 R C 0.806 176.720 176.300 -0.643 0.000 0.987 267 R CA -0.395 55.454 56.100 -0.419 0.000 0.908 267 R CB 1.498 31.675 30.300 -0.204 0.000 1.213 267 R HN -0.126 nan 8.270 nan 0.000 0.468 268 E N 1.734 121.330 120.200 -1.007 0.000 2.086 268 E HA -0.286 4.064 4.350 -0.000 0.000 0.200 268 E C 1.161 177.673 176.600 -0.146 0.000 1.012 268 E CA 1.797 57.820 56.400 -0.628 0.000 0.812 268 E CB 0.125 29.585 29.700 -0.400 0.000 0.743 268 E HN 0.570 nan 8.360 nan 0.000 0.453 269 E N 1.050 121.170 120.200 -0.133 0.000 2.333 269 E HA -0.222 4.128 4.350 -0.000 0.000 0.200 269 E C 0.857 177.469 176.600 0.020 0.000 1.010 269 E CA 1.101 57.479 56.400 -0.035 0.000 0.841 269 E CB -0.174 29.498 29.700 -0.046 0.000 0.757 269 E HN 0.397 nan 8.360 nan 0.000 0.508 270 D N -0.574 119.845 120.400 0.031 0.000 2.389 270 D HA 0.060 4.700 4.640 -0.000 0.000 0.206 270 D C 1.398 177.778 176.300 0.133 0.000 1.055 270 D CA -0.224 53.816 54.000 0.067 0.000 0.856 270 D CB -0.334 40.493 40.800 0.044 0.000 0.957 270 D HN 0.082 nan 8.370 nan 0.000 0.509 271 F N 2.381 122.375 119.950 0.074 0.000 2.025 271 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 271 F C 2.083 177.976 175.800 0.154 0.000 1.132 271 F CA 1.471 59.571 58.000 0.166 0.000 1.191 271 F CB -0.093 39.053 39.000 0.244 0.000 0.963 271 F HN -0.191 nan 8.300 nan 0.000 0.481 272 I N 0.817 121.565 120.570 0.296 0.000 2.118 272 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 272 I C 2.750 178.957 176.117 0.150 0.000 1.070 272 I CA 1.709 63.117 61.300 0.180 0.000 1.327 272 I CB -2.275 35.842 38.000 0.195 0.000 1.034 272 I HN 0.302 nan 8.210 nan 0.000 0.405 273 A N 0.968 123.871 122.820 0.138 0.000 1.883 273 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 273 A C 2.407 180.045 177.584 0.089 0.000 1.186 273 A CA 1.462 53.580 52.037 0.135 0.000 0.624 273 A CB -0.952 18.094 19.000 0.078 0.000 0.822 273 A HN 0.433 nan 8.150 nan 0.000 0.444 274 L N -2.163 119.062 121.223 0.003 0.000 2.131 274 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 274 L C 2.545 179.339 176.870 -0.127 0.000 1.092 274 L CA 1.460 56.264 54.840 -0.060 0.000 0.759 274 L CB -0.597 41.411 42.059 -0.085 0.000 0.903 274 L HN 0.590 nan 8.230 nan 0.000 0.435 275 Y N 0.526 120.609 120.300 -0.361 0.000 2.145 275 Y HA -0.310 4.239 4.550 -0.000 0.000 0.286 275 Y C 2.605 178.343 175.900 -0.270 0.000 1.145 275 Y CA 1.931 59.771 58.100 -0.434 0.000 1.148 275 Y CB -0.343 37.776 38.460 -0.569 0.000 0.981 275 Y HN 0.187 nan 8.280 nan 0.000 0.507 276 H N -0.778 118.381 119.070 0.148 0.000 2.423 276 H HA -0.139 4.417 4.556 -0.000 0.000 0.297 276 H C 2.254 177.578 175.328 -0.006 0.000 1.075 276 H CA 1.735 57.841 56.048 0.097 0.000 1.342 276 H CB -0.019 29.794 29.762 0.085 0.000 1.395 276 H HN 0.451 nan 8.280 nan 0.000 0.530 277 Q N -0.175 119.669 119.800 0.075 0.000 2.084 277 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 277 Q C 2.552 178.526 176.000 -0.044 0.000 0.978 277 Q CA 1.170 56.980 55.803 0.012 0.000 0.844 277 Q CB -0.037 28.698 28.738 -0.006 0.000 0.898 277 Q HN 0.530 nan 8.270 nan 0.000 0.426 278 A N 0.819 123.568 122.820 -0.118 0.000 1.872 278 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 278 A C 2.276 179.764 177.584 -0.159 0.000 1.187 278 A CA 1.394 53.333 52.037 -0.164 0.000 0.614 278 A CB -0.759 18.085 19.000 -0.261 0.000 0.826 278 A HN 0.393 nan 8.150 nan 0.000 0.442 279 A N 0.533 123.230 122.820 -0.205 0.000 1.908 279 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 279 A C 1.857 179.422 177.584 -0.033 0.000 1.181 279 A CA 1.780 53.732 52.037 -0.141 0.000 0.627 279 A CB -0.980 17.945 19.000 -0.126 0.000 0.818 279 A HN 0.726 nan 8.150 nan 0.000 0.445 280 N N -0.571 118.133 118.700 0.007 0.000 2.381 280 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 280 N C 1.474 176.987 175.510 0.004 0.000 1.025 280 N CA 1.032 54.097 53.050 0.026 0.000 0.888 280 N CB -0.112 38.403 38.487 0.045 0.000 0.965 280 N HN 0.649 nan 8.380 nan 0.000 0.438 281 E N 0.129 120.319 120.200 -0.016 0.000 2.216 281 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 281 E C 0.057 176.648 176.600 -0.015 0.000 0.988 281 E CA 0.624 57.013 56.400 -0.017 0.000 0.834 281 E CB 0.526 30.209 29.700 -0.029 0.000 0.772 281 E HN 0.257 nan 8.360 nan 0.000 0.479 282 I N 2.395 122.954 120.570 -0.019 0.000 2.862 282 I HA 0.185 4.355 4.170 -0.000 0.000 0.285 282 I C -2.513 173.603 176.117 -0.002 0.000 1.339 282 I CA -2.501 58.794 61.300 -0.010 0.000 1.002 282 I CB 0.469 38.461 38.000 -0.013 0.000 1.618 282 I HN -0.202 nan 8.210 nan 0.000 0.593 283 P HA 0.052 nan 4.420 nan 0.000 0.262 283 P C 1.014 178.328 177.300 0.023 0.000 1.182 283 P CA 1.111 64.223 63.100 0.019 0.000 0.761 283 P CB 0.922 32.634 31.700 0.020 0.000 0.795 284 G N 1.831 110.650 108.800 0.033 0.000 2.205 284 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 284 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 284 G C 0.438 175.364 174.900 0.042 0.000 0.980 284 G CA 0.380 45.502 45.100 0.037 0.000 0.632 284 G HN 0.852 nan 8.290 nan 0.000 0.533 285 S N 1.577 117.300 115.700 0.039 0.000 2.564 285 S HA 0.552 5.022 4.470 -0.000 0.000 0.278 285 S C -1.688 172.965 174.600 0.087 0.000 1.333 285 S CA -0.511 57.723 58.200 0.057 0.000 1.048 285 S CB 0.889 64.115 63.200 0.043 0.000 0.900 285 S HN 0.197 nan 8.310 nan 0.000 0.505 286 P HA 0.337 nan 4.420 nan 0.000 0.272 286 P C -0.938 176.480 177.300 0.196 0.000 1.223 286 P CA -0.082 63.151 63.100 0.220 0.000 0.784 286 P CB 0.357 32.291 31.700 0.390 0.000 0.923 287 I N 2.688 123.365 120.570 0.178 0.000 2.545 287 I HA 0.485 4.655 4.170 -0.000 0.000 0.292 287 I C -0.354 175.896 176.117 0.222 0.000 1.040 287 I CA -0.876 60.474 61.300 0.085 0.000 1.068 287 I CB 1.290 39.208 38.000 -0.137 0.000 1.251 287 I HN 0.316 nan 8.210 nan 0.000 0.424 288 F N 5.852 125.854 119.950 0.087 0.000 2.593 288 F HA 0.770 5.297 4.527 -0.000 0.000 0.320 288 F C -1.388 174.507 175.800 0.158 0.000 1.060 288 F CA -1.070 57.026 58.000 0.159 0.000 0.940 288 F CB 1.146 40.299 39.000 0.256 0.000 1.268 288 F HN 0.006 nan 8.300 nan 0.000 0.475 289 I N 3.715 124.452 120.570 0.277 0.000 2.493 289 I HA 0.552 4.721 4.170 -0.000 0.000 0.298 289 I C -0.583 175.725 176.117 0.319 0.000 0.998 289 I CA -0.752 60.642 61.300 0.156 0.000 1.137 289 I CB 1.540 39.638 38.000 0.164 0.000 1.310 289 I HN 0.920 nan 8.210 nan 0.000 0.445 290 M N 4.172 123.882 119.600 0.183 0.000 2.470 290 M HA 0.377 4.857 4.480 -0.000 0.000 0.285 290 M C -0.905 175.449 176.300 0.091 0.000 1.213 290 M CA -0.785 54.662 55.300 0.246 0.000 0.901 290 M CB 2.712 35.500 32.600 0.314 0.000 1.718 290 M HN 0.531 nan 8.290 nan 0.000 0.469 291 K N 2.129 122.569 120.400 0.067 0.000 2.414 291 K HA 0.206 4.526 4.320 -0.000 0.000 0.272 291 K C -0.964 175.638 176.600 0.004 0.000 0.993 291 K CA -0.351 55.937 56.287 0.001 0.000 0.964 291 K CB 0.644 33.127 32.500 -0.030 0.000 0.925 291 K HN 0.618 nan 8.250 nan 0.000 0.487 292 L N 4.416 125.645 121.223 0.009 0.000 2.325 292 L HA 0.265 4.605 4.340 -0.000 0.000 0.284 292 L C -0.514 176.371 176.870 0.025 0.000 1.089 292 L CA 0.333 55.188 54.840 0.026 0.000 0.836 292 L CB 0.177 42.263 42.059 0.046 0.000 1.184 292 L HN 0.709 nan 8.230 nan 0.000 0.444 293 A N 4.123 126.963 122.820 0.033 0.000 2.511 293 A HA 0.538 4.858 4.320 -0.000 0.000 0.242 293 A C 0.689 178.312 177.584 0.065 0.000 1.069 293 A CA 0.416 52.483 52.037 0.049 0.000 0.763 293 A CB -0.219 18.836 19.000 0.093 0.000 1.001 293 A HN 0.929 nan 8.150 nan 0.000 0.498 294 G N 0.919 109.755 108.800 0.060 0.000 2.857 294 G HA2 0.493 4.453 3.960 -0.000 0.000 0.217 294 G HA3 0.493 4.453 3.960 -0.000 0.000 0.217 294 G C -0.249 174.686 174.900 0.058 0.000 1.357 294 G CA -1.033 44.101 45.100 0.057 0.000 1.033 294 G HN 0.797 nan 8.290 nan 0.000 0.571 295 R N 0.301 120.832 120.500 0.051 0.000 2.399 295 R HA 0.470 4.810 4.340 -0.000 0.000 0.324 295 R C 0.131 176.460 176.300 0.049 0.000 1.030 295 R CA 0.490 56.619 56.100 0.049 0.000 0.984 295 R CB 0.489 30.824 30.300 0.059 0.000 0.961 295 R HN 0.566 nan 8.270 nan 0.000 0.433 296 A N 3.334 126.179 122.820 0.042 0.000 4.208 296 A HA 0.624 4.944 4.320 -0.000 0.000 0.243 296 A C -0.938 176.688 177.584 0.069 0.000 0.946 296 A CA -0.698 51.376 52.037 0.062 0.000 0.652 296 A CB 1.120 20.181 19.000 0.102 0.000 1.617 296 A HN 0.437 nan 8.150 nan 0.000 0.824 297 R N 0.497 121.090 120.500 0.156 0.000 2.670 297 R HA 0.494 4.834 4.340 -0.000 0.000 0.289 297 R C -1.506 175.009 176.300 0.358 0.000 0.965 297 R CA -0.346 55.888 56.100 0.222 0.000 0.899 297 R CB 1.232 31.744 30.300 0.353 0.000 1.173 297 R HN 0.826 nan 8.270 nan 0.000 0.456 298 H N 2.802 121.990 119.070 0.196 0.000 2.638 298 H HA 0.401 4.957 4.556 -0.000 0.000 0.303 298 H C -0.357 175.077 175.328 0.176 0.000 1.034 298 H CA -0.473 55.685 56.048 0.183 0.000 1.225 298 H CB 1.191 31.040 29.762 0.144 0.000 1.394 298 H HN 0.108 nan 8.280 nan 0.000 0.477 299 L N 3.024 124.440 121.223 0.321 0.000 2.330 299 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 299 L C -0.131 176.897 176.870 0.264 0.000 1.013 299 L CA -0.793 54.209 54.840 0.270 0.000 0.816 299 L CB 2.145 44.375 42.059 0.285 0.000 1.287 299 L HN 0.560 nan 8.230 nan 0.000 0.435 300 E N 1.098 121.444 120.200 0.242 0.000 2.288 300 E HA 0.565 4.915 4.350 -0.000 0.000 0.268 300 E C -1.492 175.266 176.600 0.262 0.000 0.885 300 E CA -0.815 55.695 56.400 0.183 0.000 0.767 300 E CB 3.325 33.084 29.700 0.097 0.000 1.220 300 E HN 0.158 nan 8.360 nan 0.000 0.427 301 V N 2.288 122.314 119.914 0.187 0.000 2.459 301 V HA 0.153 4.273 4.120 -0.000 0.000 0.295 301 V C -0.383 175.768 176.094 0.094 0.000 1.029 301 V CA -0.740 61.668 62.300 0.179 0.000 0.874 301 V CB 1.653 33.530 31.823 0.091 0.000 0.985 301 V HN 0.583 nan 8.190 nan 0.000 0.438 302 Q N 3.840 123.705 119.800 0.110 0.000 2.307 302 Q HA 0.476 4.816 4.340 -0.000 0.000 0.259 302 Q C -1.090 174.921 176.000 0.019 0.000 0.998 302 Q CA 0.067 55.906 55.803 0.059 0.000 0.923 302 Q CB 1.224 30.009 28.738 0.080 0.000 1.196 302 Q HN 0.655 nan 8.270 nan 0.000 0.416 303 L N 4.763 125.977 121.223 -0.016 0.000 2.334 303 L HA 0.728 5.068 4.340 -0.000 0.000 0.275 303 L C -1.766 175.110 176.870 0.009 0.000 1.036 303 L CA -0.791 54.028 54.840 -0.034 0.000 0.807 303 L CB 1.609 43.596 42.059 -0.120 0.000 1.231 303 L HN 0.759 nan 8.230 nan 0.000 0.438 304 L N 4.480 125.710 121.223 0.011 0.000 2.470 304 L HA 0.898 5.238 4.340 -0.000 0.000 0.268 304 L C -1.268 175.607 176.870 0.009 0.000 0.964 304 L CA -0.059 54.795 54.840 0.024 0.000 0.839 304 L CB 1.686 43.732 42.059 -0.022 0.000 1.276 304 L HN 0.785 nan 8.230 nan 0.000 0.403 305 A N 2.955 125.807 122.820 0.054 0.000 2.414 305 A HA 0.772 5.092 4.320 -0.000 0.000 0.306 305 A C -1.242 176.317 177.584 -0.043 0.000 1.054 305 A CA -0.490 51.562 52.037 0.025 0.000 0.724 305 A CB 1.212 20.297 19.000 0.141 0.000 1.267 305 A HN 0.756 nan 8.150 nan 0.000 0.418 306 D N 0.286 120.652 120.400 -0.057 0.000 2.539 306 D HA 0.245 4.885 4.640 -0.000 0.000 0.280 306 D C 0.378 176.559 176.300 -0.198 0.000 1.208 306 D CA -0.281 53.663 54.000 -0.093 0.000 1.088 306 D CB 0.331 41.149 40.800 0.030 0.000 1.149 306 D HN 0.433 nan 8.370 nan 0.000 0.596 307 Q N -1.612 117.935 119.800 -0.421 0.000 2.320 307 Q HA 0.064 4.404 4.340 -0.000 0.000 0.201 307 Q C -0.239 175.380 176.000 -0.634 0.000 0.910 307 Q CA 0.218 55.612 55.803 -0.682 0.000 0.946 307 Q CB 0.017 28.150 28.738 -1.008 0.000 1.062 307 Q HN 0.455 nan 8.270 nan 0.000 0.503 308 Y N -1.047 119.306 120.300 0.089 0.000 2.681 308 Y HA 0.347 4.897 4.550 -0.000 0.000 0.267 308 Y C 1.317 177.275 175.900 0.096 0.000 1.166 308 Y CA -0.086 58.090 58.100 0.126 0.000 1.209 308 Y CB 0.825 39.407 38.460 0.204 0.000 1.161 308 Y HN 0.146 nan 8.280 nan 0.000 0.534 309 G N -0.150 108.733 108.800 0.139 0.000 2.176 309 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 309 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 309 G C 0.236 175.197 174.900 0.101 0.000 0.979 309 G CA 0.307 45.476 45.100 0.116 0.000 0.641 309 G HN 0.271 nan 8.290 nan 0.000 0.530 310 T N 2.248 116.865 114.554 0.105 0.000 2.723 310 T HA 0.458 4.808 4.350 -0.000 0.000 0.297 310 T C 0.070 174.749 174.700 -0.035 0.000 0.925 310 T CA -0.196 61.930 62.100 0.043 0.000 1.030 310 T CB 0.536 69.431 68.868 0.045 0.000 0.905 310 T HN 0.348 nan 8.240 nan 0.000 0.502 311 N N 3.763 122.446 118.700 -0.028 0.000 2.342 311 N HA 0.597 5.337 4.740 -0.000 0.000 0.293 311 N C -0.511 174.956 175.510 -0.073 0.000 1.026 311 N CA -0.523 52.509 53.050 -0.030 0.000 0.857 311 N CB 2.166 40.668 38.487 0.025 0.000 1.256 311 N HN 0.612 nan 8.380 nan 0.000 0.484 312 I N -1.465 119.042 120.570 -0.105 0.000 3.042 312 I HA 0.615 4.785 4.170 -0.000 0.000 0.310 312 I C -0.132 175.966 176.117 -0.032 0.000 1.117 312 I CA -0.916 60.339 61.300 -0.076 0.000 1.003 312 I CB 2.151 40.047 38.000 -0.175 0.000 1.228 312 I HN 0.313 nan 8.210 nan 0.000 0.443 313 S N 3.191 118.889 115.700 -0.003 0.000 2.549 313 S HA 0.683 5.152 4.470 -0.000 0.000 0.297 313 S C -0.442 174.089 174.600 -0.116 0.000 1.115 313 S CA -0.791 57.395 58.200 -0.023 0.000 1.059 313 S CB 1.691 64.898 63.200 0.012 0.000 1.046 313 S HN 0.670 nan 8.310 nan 0.000 0.506 314 L N 3.026 124.171 121.223 -0.131 0.000 2.935 314 L HA 0.437 4.777 4.340 -0.000 0.000 0.243 314 L C -0.900 175.851 176.870 -0.198 0.000 1.313 314 L CA -0.514 54.134 54.840 -0.321 0.000 0.969 314 L CB -0.978 41.014 42.059 -0.112 0.000 1.320 314 L HN 0.784 nan 8.230 nan 0.000 0.511 315 F N -0.842 119.203 119.950 0.158 0.000 2.182 315 F HA -0.193 4.334 4.527 -0.000 0.000 0.318 315 F C 1.131 177.091 175.800 0.268 0.000 0.129 315 F CA 0.782 58.905 58.000 0.205 0.000 0.911 315 F CB -1.700 37.337 39.000 0.061 0.000 4.131 315 F HN 0.304 nan 8.300 nan 0.000 0.140 316 G N -0.881 108.159 108.800 0.399 0.000 2.782 316 G HA2 0.778 4.738 3.960 -0.000 0.000 0.304 316 G HA3 0.778 4.738 3.960 -0.000 0.000 0.304 316 G C -1.752 173.202 174.900 0.090 0.000 1.315 316 G CA -1.121 44.175 45.100 0.327 0.000 0.791 316 G HN 0.623 nan 8.290 nan 0.000 0.519 317 R N -0.250 120.305 120.500 0.092 0.000 2.725 317 R HA 0.421 4.761 4.340 -0.000 0.000 0.277 317 R C -1.894 174.427 176.300 0.035 0.000 0.987 317 R CA -0.851 55.264 56.100 0.024 0.000 0.901 317 R CB 2.682 33.016 30.300 0.056 0.000 1.207 317 R HN 0.479 nan 8.270 nan 0.000 0.463 318 D N 2.023 122.424 120.400 0.001 0.000 2.349 318 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 318 D C -0.393 175.961 176.300 0.090 0.000 1.071 318 D CA -0.493 53.529 54.000 0.037 0.000 0.832 318 D CB 1.106 41.893 40.800 -0.022 0.000 1.086 318 D HN 0.702 nan 8.370 nan 0.000 0.504 319 C N 2.404 121.788 119.300 0.140 0.000 2.975 319 C HA 0.481 4.941 4.460 -0.000 0.000 0.234 319 C C 1.445 176.559 174.990 0.206 0.000 1.666 319 C CA -0.719 58.396 59.018 0.163 0.000 1.534 319 C CB -1.069 26.763 27.740 0.153 0.000 2.642 319 C HN 0.384 nan 8.230 nan 0.000 0.516 320 S N 0.435 116.240 115.700 0.175 0.000 2.414 320 S HA -0.008 4.462 4.470 -0.000 0.000 0.227 320 S C 0.937 175.626 174.600 0.148 0.000 1.022 320 S CA 0.568 58.849 58.200 0.135 0.000 0.958 320 S CB -0.001 63.260 63.200 0.102 0.000 0.797 320 S HN 0.687 nan 8.310 nan 0.000 0.493 321 V N 3.715 123.756 119.914 0.211 0.000 2.364 321 V HA 0.173 4.293 4.120 -0.000 0.000 0.252 321 V C -0.041 176.170 176.094 0.195 0.000 1.075 321 V CA 0.253 62.718 62.300 0.276 0.000 1.033 321 V CB -0.438 31.589 31.823 0.340 0.000 1.116 321 V HN 0.400 nan 8.190 nan 0.000 0.488 322 Q N 4.075 123.968 119.800 0.155 0.000 2.451 322 Q HA 0.699 5.039 4.340 -0.000 0.000 0.281 322 Q C -0.571 175.460 176.000 0.053 0.000 1.099 322 Q CA -1.003 54.866 55.803 0.111 0.000 0.806 322 Q CB 2.969 31.782 28.738 0.126 0.000 1.419 322 Q HN 0.581 nan 8.270 nan 0.000 0.427 323 R N 1.088 121.606 120.500 0.029 0.000 2.473 323 R HA 0.279 4.619 4.340 -0.000 0.000 0.303 323 R C -0.762 175.513 176.300 -0.042 0.000 1.002 323 R CA -0.309 55.777 56.100 -0.024 0.000 0.884 323 R CB 0.613 30.905 30.300 -0.014 0.000 1.173 323 R HN 0.592 nan 8.270 nan 0.000 0.464 324 R N 3.909 124.339 120.500 -0.118 0.000 3.656 324 R HA -0.184 4.156 4.340 -0.000 0.000 0.297 324 R C -0.553 175.721 176.300 -0.042 0.000 1.166 324 R CA 1.172 57.194 56.100 -0.130 0.000 0.799 324 R CB -2.401 27.876 30.300 -0.037 0.000 1.285 324 R HN 1.057 nan 8.270 nan 0.000 0.477 325 H N -3.290 115.808 119.070 0.047 0.000 3.237 325 H HA -0.182 4.374 4.556 -0.000 0.000 0.231 325 H C 0.416 175.784 175.328 0.066 0.000 1.148 325 H CA 1.682 57.773 56.048 0.072 0.000 1.155 325 H CB -0.895 28.903 29.762 0.059 0.000 1.210 325 H HN 0.527 nan 8.280 nan 0.000 0.317 326 Q N 1.965 121.841 119.800 0.126 0.000 2.314 326 Q HA 0.357 4.697 4.340 -0.000 0.000 0.259 326 Q C -0.457 175.601 176.000 0.097 0.000 0.951 326 Q CA -0.515 55.342 55.803 0.089 0.000 0.909 326 Q CB 0.803 29.566 28.738 0.042 0.000 1.236 326 Q HN 0.180 nan 8.270 nan 0.000 0.444 327 K N 5.125 125.589 120.400 0.106 0.000 2.436 327 K HA 0.062 4.382 4.320 -0.000 0.000 0.282 327 K C 0.202 176.861 176.600 0.098 0.000 1.044 327 K CA -0.064 56.294 56.287 0.117 0.000 1.028 327 K CB 0.597 33.168 32.500 0.117 0.000 0.919 327 K HN 0.642 nan 8.250 nan 0.000 0.474 328 I N 2.698 123.326 120.570 0.096 0.000 3.194 328 I HA 0.119 4.289 4.170 -0.000 0.000 0.271 328 I C 0.851 176.988 176.117 0.033 0.000 1.150 328 I CA 0.583 61.922 61.300 0.064 0.000 1.440 328 I CB 0.041 38.097 38.000 0.093 0.000 1.276 328 I HN 0.509 nan 8.210 nan 0.000 0.457 329 I N 1.014 121.624 120.570 0.066 0.000 2.466 329 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 329 I C -0.383 175.808 176.117 0.124 0.000 1.026 329 I CA -0.344 60.991 61.300 0.059 0.000 1.078 329 I CB 2.596 40.606 38.000 0.017 0.000 1.249 329 I HN 0.064 nan 8.210 nan 0.000 0.429 330 E N 6.117 126.381 120.200 0.106 0.000 2.317 330 E HA 0.532 4.882 4.350 -0.000 0.000 0.270 330 E C -1.580 175.071 176.600 0.085 0.000 0.885 330 E CA -0.595 55.868 56.400 0.105 0.000 0.760 330 E CB 2.330 32.083 29.700 0.089 0.000 1.227 330 E HN 0.682 nan 8.360 nan 0.000 0.434 331 E N 1.323 121.550 120.200 0.044 0.000 2.367 331 E HA 0.799 5.149 4.350 -0.000 0.000 0.273 331 E C -1.594 174.904 176.600 -0.170 0.000 0.903 331 E CA -1.410 54.957 56.400 -0.055 0.000 0.764 331 E CB 1.997 31.714 29.700 0.028 0.000 1.252 331 E HN 0.392 nan 8.360 nan 0.000 0.446 332 A N 2.159 124.768 122.820 -0.353 0.000 2.422 332 A HA 0.690 5.010 4.320 -0.000 0.000 0.302 332 A C -2.713 174.541 177.584 -0.549 0.000 1.041 332 A CA -1.547 50.304 52.037 -0.309 0.000 0.708 332 A CB 1.632 20.566 19.000 -0.111 0.000 1.257 332 A HN 0.536 nan 8.150 nan 0.000 0.414 333 P HA 0.392 nan 4.420 nan 0.000 0.293 333 P C -0.270 176.828 177.300 -0.337 0.000 1.304 333 P CA -0.319 62.587 63.100 -0.324 0.000 0.767 333 P CB 0.700 32.160 31.700 -0.400 0.000 1.247 334 V N 0.544 120.161 119.914 -0.495 0.000 2.686 334 V HA 0.156 4.276 4.120 -0.000 0.000 0.295 334 V C 1.601 177.419 176.094 -0.460 0.000 1.055 334 V CA 0.959 62.946 62.300 -0.523 0.000 1.050 334 V CB 0.465 31.750 31.823 -0.897 0.000 0.984 334 V HN 0.852 nan 8.190 nan 0.000 0.482 335 T N 0.519 114.880 114.554 -0.322 0.000 2.969 335 T HA 0.094 4.444 4.350 -0.000 0.000 0.258 335 T C 1.460 175.994 174.700 -0.277 0.000 0.962 335 T CA 0.114 62.048 62.100 -0.278 0.000 0.903 335 T CB -0.063 68.676 68.868 -0.215 0.000 1.177 335 T HN 0.317 nan 8.240 nan 0.000 0.511 336 I N 3.201 123.592 120.570 -0.298 0.000 2.315 336 I HA 0.338 4.508 4.170 -0.000 0.000 0.248 336 I C 1.269 177.183 176.117 -0.339 0.000 1.117 336 I CA 0.140 61.239 61.300 -0.334 0.000 1.404 336 I CB -0.735 37.095 38.000 -0.284 0.000 1.071 336 I HN 0.424 nan 8.210 nan 0.000 0.419 337 A N 0.878 123.461 122.820 -0.395 0.000 2.322 337 A HA 0.263 4.583 4.320 -0.000 0.000 0.269 337 A C 0.367 177.855 177.584 -0.161 0.000 1.094 337 A CA -0.509 51.303 52.037 -0.376 0.000 0.807 337 A CB 0.034 18.620 19.000 -0.690 0.000 1.047 337 A HN 0.307 nan 8.150 nan 0.000 0.487 338 K N 1.397 121.784 120.400 -0.023 0.000 2.436 338 K HA 0.288 4.608 4.320 -0.000 0.000 0.275 338 K C 1.288 177.851 176.600 -0.061 0.000 0.999 338 K CA 0.388 56.672 56.287 -0.006 0.000 0.980 338 K CB 0.571 33.108 32.500 0.061 0.000 0.919 338 K HN 0.725 nan 8.250 nan 0.000 0.484 339 A N 4.283 127.054 122.820 -0.083 0.000 1.884 339 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 339 A C 1.673 179.154 177.584 -0.172 0.000 1.197 339 A CA 1.773 53.712 52.037 -0.164 0.000 0.637 339 A CB -0.546 18.405 19.000 -0.083 0.000 0.827 339 A HN 0.921 nan 8.150 nan 0.000 0.450 340 E N -0.630 119.587 120.200 0.028 0.000 2.150 340 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 340 E C 2.110 178.753 176.600 0.071 0.000 0.985 340 E CA 1.517 57.996 56.400 0.132 0.000 0.814 340 E CB -0.820 28.952 29.700 0.121 0.000 0.752 340 E HN 0.639 nan 8.360 nan 0.000 0.466 341 T N 0.718 115.289 114.554 0.030 0.000 2.857 341 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 341 T C 1.507 176.116 174.700 -0.151 0.000 1.048 341 T CA 0.656 62.773 62.100 0.028 0.000 1.139 341 T CB -0.295 68.630 68.868 0.095 0.000 0.874 341 T HN 0.117 nan 8.240 nan 0.000 0.455 342 F N 1.347 121.107 119.950 -0.317 0.000 2.259 342 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 342 F C 2.330 177.953 175.800 -0.295 0.000 1.088 342 F CA 0.976 58.731 58.000 -0.408 0.000 1.358 342 F CB -0.180 38.579 39.000 -0.402 0.000 1.040 342 F HN 0.218 nan 8.300 nan 0.000 0.505 343 H N 0.062 119.074 119.070 -0.097 0.000 2.423 343 H HA -0.072 4.484 4.556 -0.000 0.000 0.297 343 H C 2.074 177.288 175.328 -0.189 0.000 1.075 343 H CA 1.410 57.398 56.048 -0.101 0.000 1.342 343 H CB -0.192 29.566 29.762 -0.007 0.000 1.395 343 H HN 0.293 nan 8.280 nan 0.000 0.530 344 E N 0.253 120.402 120.200 -0.086 0.000 2.152 344 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 344 E C 2.322 178.726 176.600 -0.326 0.000 0.983 344 E CA 0.339 56.694 56.400 -0.074 0.000 0.818 344 E CB -0.095 29.671 29.700 0.109 0.000 0.758 344 E HN 0.485 nan 8.360 nan 0.000 0.467 345 M N 0.261 119.345 119.600 -0.859 0.000 2.175 345 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 345 M C 1.972 177.916 176.300 -0.593 0.000 1.063 345 M CA 1.237 55.774 55.300 -1.272 0.000 1.119 345 M CB -0.167 31.327 32.600 -1.843 0.000 1.377 345 M HN 0.042 nan 8.290 nan 0.000 0.415 346 E N 0.411 120.286 120.200 -0.542 0.000 2.051 346 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 346 E C 1.956 178.509 176.600 -0.079 0.000 0.991 346 E CA 1.122 57.376 56.400 -0.243 0.000 0.799 346 E CB -0.073 29.555 29.700 -0.121 0.000 0.748 346 E HN 0.465 nan 8.360 nan 0.000 0.449 347 K N 0.503 120.869 120.400 -0.056 0.000 2.097 347 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 347 K C 2.179 178.799 176.600 0.033 0.000 1.049 347 K CA 1.019 57.312 56.287 0.011 0.000 0.933 347 K CB -0.094 32.423 32.500 0.029 0.000 0.717 347 K HN 0.049 nan 8.250 nan 0.000 0.442 348 A N 1.480 124.327 122.820 0.046 0.000 1.930 348 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 348 A C 2.353 180.006 177.584 0.115 0.000 1.175 348 A CA 1.597 53.707 52.037 0.121 0.000 0.627 348 A CB -0.506 18.644 19.000 0.250 0.000 0.815 348 A HN 0.311 nan 8.150 nan 0.000 0.443 349 A N -0.543 122.352 122.820 0.125 0.000 1.902 349 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 349 A C 2.202 179.790 177.584 0.005 0.000 1.181 349 A CA 1.720 53.797 52.037 0.066 0.000 0.623 349 A CB -0.827 18.210 19.000 0.062 0.000 0.818 349 A HN 0.352 nan 8.150 nan 0.000 0.443 350 V N -0.008 119.915 119.914 0.016 0.000 2.358 350 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 350 V C 2.638 178.745 176.094 0.021 0.000 1.047 350 V CA 2.103 64.413 62.300 0.016 0.000 1.035 350 V CB -0.770 31.072 31.823 0.031 0.000 0.658 350 V HN 0.513 nan 8.190 nan 0.000 0.452 351 R N -0.641 119.874 120.500 0.025 0.000 2.081 351 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 351 R C 2.246 178.546 176.300 0.001 0.000 1.131 351 R CA 1.607 57.719 56.100 0.021 0.000 0.960 351 R CB -0.575 29.740 30.300 0.025 0.000 0.856 351 R HN 0.372 nan 8.270 nan 0.000 0.436 352 L N 0.448 121.656 121.223 -0.026 0.000 2.017 352 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 352 L C 2.158 179.011 176.870 -0.028 0.000 1.073 352 L CA 2.138 56.937 54.840 -0.068 0.000 0.745 352 L CB -1.065 40.905 42.059 -0.149 0.000 0.894 352 L HN 0.176 nan 8.230 nan 0.000 0.432 353 G N -0.631 108.157 108.800 -0.020 0.000 2.446 353 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 353 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 353 G C 1.669 176.629 174.900 0.099 0.000 1.168 353 G CA 0.946 46.068 45.100 0.035 0.000 0.771 353 G HN 0.438 nan 8.290 nan 0.000 0.551 354 K N -0.432 120.007 120.400 0.065 0.000 2.057 354 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 354 K C 2.374 179.013 176.600 0.064 0.000 1.049 354 K CA 0.960 57.289 56.287 0.070 0.000 0.931 354 K CB -0.298 32.234 32.500 0.054 0.000 0.714 354 K HN 0.276 nan 8.250 nan 0.000 0.440 355 L N 1.251 122.500 121.223 0.043 0.000 2.046 355 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 355 L C 1.961 178.861 176.870 0.049 0.000 1.077 355 L CA 1.509 56.369 54.840 0.033 0.000 0.747 355 L CB -0.331 41.732 42.059 0.007 0.000 0.896 355 L HN 0.074 nan 8.230 nan 0.000 0.432 356 V N -2.279 117.676 119.914 0.068 0.000 3.573 356 V HA 0.402 4.522 4.120 -0.000 0.000 0.270 356 V C 1.397 177.567 176.094 0.126 0.000 1.221 356 V CA 0.283 62.639 62.300 0.094 0.000 1.163 356 V CB -1.282 30.608 31.823 0.112 0.000 0.847 356 V HN 0.653 nan 8.190 nan 0.000 0.468 357 G N -0.466 108.411 108.800 0.128 0.000 2.246 357 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.273 357 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.273 357 G C -0.203 174.793 174.900 0.159 0.000 1.055 357 G CA 0.442 45.625 45.100 0.138 0.000 0.851 357 G HN 0.812 nan 8.290 nan 0.000 0.500 358 Y N -0.621 119.719 120.300 0.068 0.000 2.550 358 Y HA 0.420 4.970 4.550 -0.000 0.000 0.343 358 Y C 0.694 176.624 175.900 0.050 0.000 1.245 358 Y CA 0.580 58.717 58.100 0.063 0.000 1.462 358 Y CB 0.940 39.422 38.460 0.036 0.000 1.340 358 Y HN 0.288 nan 8.280 nan 0.000 0.604 359 V N 4.304 123.897 119.914 -0.536 0.000 2.932 359 V HA 0.523 4.643 4.120 -0.000 0.000 0.307 359 V C -0.105 175.763 176.094 -0.377 0.000 1.147 359 V CA -0.446 61.673 62.300 -0.302 0.000 0.951 359 V CB 1.396 33.059 31.823 -0.267 0.000 1.031 359 V HN 1.044 nan 8.190 nan 0.000 0.426 360 S N 1.287 116.904 115.700 -0.140 0.000 3.830 360 S HA -0.001 4.469 4.470 -0.000 0.000 0.635 360 S C 0.087 174.771 174.600 0.139 0.000 2.022 360 S CA 0.492 58.658 58.200 -0.056 0.000 2.279 360 S CB -1.080 62.044 63.200 -0.127 0.000 0.329 360 S HN 2.514 nan 8.310 nan 0.000 1.707 361 A N 0.693 123.596 122.820 0.139 0.000 2.327 361 A HA 0.762 5.082 4.320 -0.000 0.000 0.283 361 A C 0.622 178.385 177.584 0.298 0.000 1.127 361 A CA 0.586 52.730 52.037 0.179 0.000 0.810 361 A CB 0.575 19.626 19.000 0.085 0.000 1.066 361 A HN 1.966 nan 8.150 nan 0.000 0.492 362 G N -0.216 108.674 108.800 0.149 0.000 2.677 362 G HA2 0.597 4.557 3.960 -0.000 0.000 0.291 362 G HA3 0.597 4.557 3.960 -0.000 0.000 0.291 362 G C -1.098 173.741 174.900 -0.101 0.000 1.435 362 G CA -0.374 44.708 45.100 -0.030 0.000 0.826 362 G HN 0.746 nan 8.290 nan 0.000 0.491 363 T N 0.114 114.602 114.554 -0.109 0.000 2.848 363 T HA 0.558 4.908 4.350 -0.000 0.000 0.285 363 T C -0.654 173.970 174.700 -0.126 0.000 0.995 363 T CA -0.350 61.701 62.100 -0.082 0.000 0.970 363 T CB 1.849 70.695 68.868 -0.037 0.000 0.976 363 T HN 0.426 nan 8.240 nan 0.000 0.441 364 V N 3.642 123.479 119.914 -0.127 0.000 2.370 364 V HA 0.347 4.467 4.120 -0.000 0.000 0.283 364 V C 0.171 176.088 176.094 -0.296 0.000 1.023 364 V CA -0.731 61.447 62.300 -0.204 0.000 0.857 364 V CB 1.350 33.045 31.823 -0.213 0.000 0.985 364 V HN 0.829 nan 8.190 nan 0.000 0.443 365 E N 3.718 123.698 120.200 -0.367 0.000 2.249 365 E HA 0.531 4.881 4.350 -0.000 0.000 0.280 365 E C -1.610 174.737 176.600 -0.422 0.000 1.016 365 E CA -0.389 55.824 56.400 -0.312 0.000 0.830 365 E CB 1.659 31.180 29.700 -0.299 0.000 1.081 365 E HN 0.588 nan 8.360 nan 0.000 0.395 366 Y N 0.841 121.133 120.300 -0.013 0.000 2.545 366 Y HA 0.343 4.893 4.550 -0.000 0.000 0.348 366 Y C -0.600 175.404 175.900 0.173 0.000 1.002 366 Y CA -1.068 57.090 58.100 0.097 0.000 1.039 366 Y CB 1.367 39.908 38.460 0.137 0.000 1.271 366 Y HN 0.378 nan 8.280 nan 0.000 0.467 367 L N 3.559 125.067 121.223 0.475 0.000 2.272 367 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 367 L C -1.712 175.492 176.870 0.556 0.000 1.032 367 L CA -0.620 54.508 54.840 0.480 0.000 0.810 367 L CB 0.368 42.680 42.059 0.422 0.000 1.205 367 L HN 0.580 nan 8.230 nan 0.000 0.422 368 Y N 3.920 124.428 120.300 0.347 0.000 2.350 368 Y HA 0.586 5.136 4.550 -0.000 0.000 0.338 368 Y C -0.667 175.379 175.900 0.243 0.000 0.961 368 Y CA -0.622 57.645 58.100 0.279 0.000 1.100 368 Y CB 1.848 40.436 38.460 0.212 0.000 1.179 368 Y HN 0.662 nan 8.280 nan 0.000 0.454 369 S N 5.271 120.687 115.700 -0.472 0.000 2.422 369 S HA 0.176 4.646 4.470 -0.000 0.000 0.308 369 S C 0.618 174.775 174.600 -0.738 0.000 1.097 369 S CA -0.413 57.551 58.200 -0.393 0.000 1.099 369 S CB 0.069 63.220 63.200 -0.082 0.000 0.976 369 S HN 1.040 nan 8.310 nan 0.000 0.471 370 H N 3.506 122.208 119.070 -0.612 0.000 2.495 370 H HA -0.041 4.515 4.556 -0.000 0.000 0.287 370 H C 0.709 175.948 175.328 -0.148 0.000 1.033 370 H CA 0.967 56.810 56.048 -0.342 0.000 1.307 370 H CB 0.429 30.168 29.762 -0.038 0.000 1.401 370 H HN 0.662 nan 8.280 nan 0.000 0.555 371 D N 0.758 121.076 120.400 -0.138 0.000 2.117 371 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 371 D C 1.415 177.647 176.300 -0.114 0.000 0.987 371 D CA 1.606 55.525 54.000 -0.135 0.000 0.829 371 D CB -0.178 40.582 40.800 -0.066 0.000 0.961 371 D HN 0.686 nan 8.370 nan 0.000 0.460 372 D N -1.880 118.468 120.400 -0.086 0.000 2.469 372 D HA 0.141 4.781 4.640 -0.000 0.000 0.213 372 D C 1.410 177.697 176.300 -0.021 0.000 1.135 372 D CA 0.613 54.588 54.000 -0.042 0.000 0.834 372 D CB 0.144 40.939 40.800 -0.009 0.000 1.009 372 D HN 0.169 nan 8.370 nan 0.000 0.507 373 G N 0.886 109.661 108.800 -0.042 0.000 2.166 373 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 373 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 373 G C 0.114 175.111 174.900 0.161 0.000 0.986 373 G CA 0.540 45.709 45.100 0.115 0.000 0.683 373 G HN 0.470 nan 8.290 nan 0.000 0.527 374 K N -0.530 119.864 120.400 -0.010 0.000 2.087 374 K HA 0.702 5.022 4.320 -0.000 0.000 0.255 374 K C 0.012 176.541 176.600 -0.119 0.000 0.988 374 K CA -0.475 55.730 56.287 -0.136 0.000 0.915 374 K CB 0.919 33.280 32.500 -0.231 0.000 1.043 374 K HN 0.405 nan 8.250 nan 0.000 0.457 375 F N -0.882 118.827 119.950 -0.401 0.000 2.603 375 F HA 0.617 5.144 4.527 -0.000 0.000 0.317 375 F C -1.386 174.049 175.800 -0.608 0.000 1.066 375 F CA -1.237 56.593 58.000 -0.283 0.000 0.941 375 F CB 0.920 39.859 39.000 -0.102 0.000 1.291 375 F HN 0.344 nan 8.300 nan 0.000 0.472 376 Y N 1.470 122.054 120.300 0.473 0.000 2.504 376 Y HA 0.426 4.975 4.550 -0.000 0.000 0.344 376 Y C -0.808 175.425 175.900 0.554 0.000 1.023 376 Y CA -1.425 56.911 58.100 0.393 0.000 1.020 376 Y CB 1.618 40.205 38.460 0.210 0.000 1.282 376 Y HN 0.791 nan 8.280 nan 0.000 0.454 377 F N 3.289 123.521 119.950 0.470 0.000 2.572 377 F HA 0.235 4.762 4.527 -0.000 0.000 0.370 377 F C -0.116 175.710 175.800 0.042 0.000 1.103 377 F CA 0.312 58.415 58.000 0.172 0.000 1.286 377 F CB 0.502 39.547 39.000 0.075 0.000 1.105 377 F HN 0.573 nan 8.300 nan 0.000 0.583 378 L N 3.089 123.741 121.223 -0.952 0.000 2.519 378 L HA 0.297 4.637 4.340 -0.000 0.000 0.194 378 L C -0.255 175.864 176.870 -1.252 0.000 1.072 378 L CA 0.244 54.602 54.840 -0.803 0.000 0.845 378 L CB 0.060 41.841 42.059 -0.463 0.000 1.138 378 L HN 0.767 nan 8.230 nan 0.000 0.487 379 E N -0.556 118.758 120.200 -1.476 0.000 2.411 379 E HA 0.289 4.639 4.350 -0.000 0.000 0.279 379 E C -1.527 174.845 176.600 -0.380 0.000 1.132 379 E CA -0.738 55.118 56.400 -0.907 0.000 0.876 379 E CB 1.726 31.177 29.700 -0.414 0.000 1.335 379 E HN -0.026 nan 8.360 nan 0.000 0.436 380 L N 1.645 122.858 121.223 -0.016 0.000 2.319 380 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 380 L C -1.313 175.537 176.870 -0.034 0.000 1.005 380 L CA -0.632 54.205 54.840 -0.005 0.000 0.828 380 L CB 1.019 43.108 42.059 0.051 0.000 1.227 380 L HN 0.563 nan 8.230 nan 0.000 0.415 381 N N 6.984 125.648 118.700 -0.060 0.000 2.406 381 N HA 0.242 4.982 4.740 -0.000 0.000 0.251 381 N C -2.214 173.318 175.510 0.036 0.000 1.069 381 N CA -1.339 51.704 53.050 -0.012 0.000 0.947 381 N CB 0.873 39.347 38.487 -0.021 0.000 1.111 381 N HN 0.443 nan 8.380 nan 0.000 0.497 382 P HA 0.040 nan 4.420 nan 0.000 0.225 382 P C -0.965 176.495 177.300 0.266 0.000 1.768 382 P CA 0.223 63.505 63.100 0.303 0.000 0.943 382 P CB -0.271 31.622 31.700 0.321 0.000 1.936 383 R N -0.506 120.114 120.500 0.200 0.000 2.741 383 R HA 0.516 4.856 4.340 -0.000 0.000 0.276 383 R C -1.675 174.697 176.300 0.121 0.000 1.028 383 R CA -1.229 54.957 56.100 0.144 0.000 0.865 383 R CB 0.161 30.534 30.300 0.122 0.000 1.268 383 R HN -0.054 nan 8.270 nan 0.000 0.475 384 L N 1.003 122.294 121.223 0.113 0.000 2.395 384 L HA 0.355 4.695 4.340 -0.000 0.000 0.269 384 L C -0.500 176.459 176.870 0.149 0.000 1.133 384 L CA 0.280 55.188 54.840 0.114 0.000 0.812 384 L CB 1.318 43.452 42.059 0.125 0.000 1.125 384 L HN 0.610 nan 8.230 nan 0.000 0.452 385 Q N 2.124 121.924 119.800 -0.001 0.000 2.248 385 Q HA 0.245 4.585 4.340 -0.000 0.000 0.263 385 Q C 0.638 176.262 176.000 -0.625 0.000 1.007 385 Q CA -0.585 55.079 55.803 -0.231 0.000 0.877 385 Q CB 2.082 30.741 28.738 -0.132 0.000 1.315 385 Q HN 0.655 nan 8.270 nan 0.000 0.454 386 V N 1.777 120.951 119.914 -1.233 0.000 2.568 386 V HA -0.255 3.865 4.120 -0.000 0.000 0.253 386 V C 0.742 176.523 176.094 -0.521 0.000 1.072 386 V CA 2.183 63.689 62.300 -1.324 0.000 1.084 386 V CB -0.084 31.208 31.823 -0.885 0.000 0.676 386 V HN 0.734 nan 8.190 nan 0.000 0.469 387 E N -0.330 119.673 120.200 -0.329 0.000 2.476 387 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 387 E C 1.785 178.367 176.600 -0.030 0.000 1.064 387 E CA 0.484 56.835 56.400 -0.083 0.000 0.866 387 E CB -0.334 29.336 29.700 -0.050 0.000 0.952 387 E HN 0.921 nan 8.360 nan 0.000 0.492 388 H N -0.976 118.026 119.070 -0.113 0.000 2.492 388 H HA -0.013 4.543 4.556 -0.000 0.000 0.296 388 H C -1.034 174.246 175.328 -0.079 0.000 1.095 388 H CA 0.675 56.685 56.048 -0.062 0.000 1.281 388 H CB -1.328 28.410 29.762 -0.039 0.000 1.374 388 H HN 0.152 nan 8.280 nan 0.000 0.545 389 P HA -0.093 nan 4.420 nan 0.000 0.222 389 P C 1.833 178.952 177.300 -0.302 0.000 1.147 389 P CA 2.382 65.115 63.100 -0.611 0.000 0.790 389 P CB -0.199 30.809 31.700 -1.152 0.000 0.780 390 T N -4.385 110.114 114.554 -0.092 0.000 2.708 390 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 390 T C 1.795 176.526 174.700 0.052 0.000 1.037 390 T CA 2.016 64.164 62.100 0.080 0.000 1.146 390 T CB -1.723 67.236 68.868 0.152 0.000 0.865 390 T HN -0.001 nan 8.240 nan 0.000 0.435 391 T N 1.782 116.373 114.554 0.061 0.000 2.821 391 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 391 T C 1.955 176.720 174.700 0.108 0.000 1.046 391 T CA 1.365 63.531 62.100 0.110 0.000 1.139 391 T CB -0.312 68.630 68.868 0.123 0.000 0.871 391 T HN 0.586 nan 8.240 nan 0.000 0.454 392 E N 0.546 120.780 120.200 0.056 0.000 2.077 392 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 392 E C 2.118 178.738 176.600 0.033 0.000 0.989 392 E CA 1.079 57.504 56.400 0.041 0.000 0.800 392 E CB -0.213 29.483 29.700 -0.006 0.000 0.746 392 E HN 0.276 nan 8.360 nan 0.000 0.452 393 M N 0.923 120.533 119.600 0.017 0.000 2.117 393 M HA -0.132 4.347 4.480 -0.000 0.000 0.262 393 M C 2.244 178.614 176.300 0.116 0.000 1.065 393 M CA 1.330 56.653 55.300 0.039 0.000 1.114 393 M CB -0.095 32.559 32.600 0.091 0.000 1.361 393 M HN 0.099 nan 8.290 nan 0.000 0.408 394 V N -2.137 117.871 119.914 0.156 0.000 3.306 394 V HA 0.077 4.197 4.120 -0.000 0.000 0.264 394 V C 1.686 177.909 176.094 0.214 0.000 1.149 394 V CA 1.455 63.855 62.300 0.166 0.000 1.143 394 V CB -1.407 30.451 31.823 0.057 0.000 0.767 394 V HN 0.625 nan 8.190 nan 0.000 0.476 395 S N -0.733 115.116 115.700 0.249 0.000 2.505 395 S HA 0.438 4.908 4.470 -0.000 0.000 0.216 395 S C 1.809 176.509 174.600 0.166 0.000 1.018 395 S CA 0.771 59.153 58.200 0.303 0.000 0.911 395 S CB 0.503 63.853 63.200 0.249 0.000 0.818 395 S HN 1.677 nan 8.310 nan 0.000 0.497 396 G N 0.949 109.814 108.800 0.107 0.000 2.162 396 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 396 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 396 G C 0.035 174.970 174.900 0.058 0.000 0.976 396 G CA 0.231 45.368 45.100 0.063 0.000 0.655 396 G HN 0.745 nan 8.290 nan 0.000 0.533 397 V N 1.379 121.333 119.914 0.067 0.000 2.432 397 V HA 0.388 4.508 4.120 -0.000 0.000 0.275 397 V C 0.605 176.720 176.094 0.035 0.000 1.043 397 V CA -0.841 61.490 62.300 0.052 0.000 0.925 397 V CB 1.671 33.526 31.823 0.053 0.000 0.985 397 V HN 0.393 nan 8.190 nan 0.000 0.466 398 N N 4.788 123.499 118.700 0.018 0.000 2.448 398 N HA 0.196 4.936 4.740 -0.000 0.000 0.250 398 N C 0.775 176.273 175.510 -0.020 0.000 1.136 398 N CA 0.063 53.115 53.050 0.004 0.000 0.953 398 N CB 0.891 39.382 38.487 0.006 0.000 1.251 398 N HN 0.670 nan 8.380 nan 0.000 0.502 399 L N 4.584 125.818 121.223 0.018 0.000 2.046 399 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 399 L C -0.654 176.183 176.870 -0.054 0.000 1.077 399 L CA 1.193 56.029 54.840 -0.005 0.000 0.747 399 L CB -0.981 41.097 42.059 0.031 0.000 0.896 399 L HN 0.425 nan 8.230 nan 0.000 0.432 400 P HA -0.134 nan 4.420 nan 0.000 0.218 400 P C 1.339 178.521 177.300 -0.198 0.000 1.149 400 P CA 1.536 64.561 63.100 -0.125 0.000 0.817 400 P CB 0.039 31.615 31.700 -0.206 0.000 0.785 401 A N -0.075 122.606 122.820 -0.231 0.000 1.929 401 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 401 A C 2.265 179.548 177.584 -0.502 0.000 1.176 401 A CA 1.749 53.499 52.037 -0.477 0.000 0.628 401 A CB -1.489 17.207 19.000 -0.508 0.000 0.816 401 A HN 0.175 nan 8.150 nan 0.000 0.444 402 A N -0.574 122.075 122.820 -0.285 0.000 1.898 402 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 402 A C 2.113 179.584 177.584 -0.189 0.000 1.181 402 A CA 1.574 53.483 52.037 -0.213 0.000 0.620 402 A CB -0.547 18.387 19.000 -0.111 0.000 0.819 402 A HN 0.632 nan 8.150 nan 0.000 0.442 403 Q N -1.094 118.620 119.800 -0.144 0.000 2.061 403 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 403 Q C 2.105 178.018 176.000 -0.145 0.000 0.984 403 Q CA 1.526 57.269 55.803 -0.101 0.000 0.846 403 Q CB -0.367 28.369 28.738 -0.003 0.000 0.902 403 Q HN 0.585 nan 8.270 nan 0.000 0.421 404 L N 1.030 122.131 121.223 -0.204 0.000 2.017 404 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 404 L C 2.053 178.773 176.870 -0.251 0.000 1.073 404 L CA 1.867 56.569 54.840 -0.231 0.000 0.745 404 L CB -0.446 41.421 42.059 -0.319 0.000 0.894 404 L HN 0.178 nan 8.230 nan 0.000 0.432 405 Q N -0.704 118.900 119.800 -0.326 0.000 2.119 405 Q HA -0.155 4.184 4.340 -0.000 0.000 0.201 405 Q C 2.321 178.229 176.000 -0.154 0.000 0.972 405 Q CA 1.858 57.529 55.803 -0.219 0.000 0.847 405 Q CB -0.174 28.437 28.738 -0.212 0.000 0.903 405 Q HN 0.573 nan 8.270 nan 0.000 0.433 406 I N 0.623 121.096 120.570 -0.161 0.000 2.286 406 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 406 I C 2.289 178.288 176.117 -0.196 0.000 1.115 406 I CA 0.902 62.109 61.300 -0.154 0.000 1.392 406 I CB -0.281 37.630 38.000 -0.149 0.000 1.065 406 I HN 0.156 nan 8.210 nan 0.000 0.418 407 A N 0.150 122.865 122.820 -0.176 0.000 2.067 407 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 407 A C 2.226 179.721 177.584 -0.148 0.000 1.158 407 A CA 1.201 53.148 52.037 -0.150 0.000 0.661 407 A CB -0.465 18.474 19.000 -0.101 0.000 0.801 407 A HN 0.389 nan 8.150 nan 0.000 0.452 408 M N -1.469 118.017 119.600 -0.191 0.000 2.561 408 M HA 0.150 4.630 4.480 -0.000 0.000 0.238 408 M C 1.331 177.276 176.300 -0.593 0.000 1.131 408 M CA 0.813 55.956 55.300 -0.262 0.000 1.046 408 M CB 0.237 32.758 32.600 -0.132 0.000 1.532 408 M HN 0.624 nan 8.290 nan 0.000 0.497 409 G N 1.620 110.135 108.800 -0.476 0.000 2.141 409 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.231 409 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.231 409 G C 0.064 174.995 174.900 0.051 0.000 0.984 409 G CA -0.482 44.386 45.100 -0.388 0.000 0.660 409 G HN 0.438 nan 8.290 nan 0.000 0.525 410 I N 3.335 123.887 120.570 -0.030 0.000 2.471 410 I HA 0.233 4.402 4.170 -0.000 0.000 0.286 410 I C -1.145 175.006 176.117 0.057 0.000 1.079 410 I CA -1.917 59.380 61.300 -0.006 0.000 1.398 410 I CB 0.948 38.920 38.000 -0.047 0.000 1.403 410 I HN -0.020 nan 8.210 nan 0.000 0.530 411 P HA 0.017 nan 4.420 nan 0.000 0.274 411 P C 0.456 177.738 177.300 -0.031 0.000 1.237 411 P CA -0.450 62.686 63.100 0.060 0.000 0.793 411 P CB 0.852 32.399 31.700 -0.255 0.000 0.977 412 M N 2.742 122.399 119.600 0.094 0.000 2.108 412 M HA -0.231 4.249 4.480 -0.000 0.000 0.257 412 M C 2.038 178.436 176.300 0.164 0.000 1.071 412 M CA 2.273 57.595 55.300 0.037 0.000 1.093 412 M CB -1.724 30.773 32.600 -0.173 0.000 1.345 412 M HN 0.594 nan 8.290 nan 0.000 0.403 413 H N -2.532 116.652 119.070 0.190 0.000 2.559 413 H HA 0.150 4.706 4.556 -0.000 0.000 0.273 413 H C 0.942 176.268 175.328 -0.003 0.000 1.000 413 H CA 0.672 56.790 56.048 0.116 0.000 1.195 413 H CB -0.129 29.629 29.762 -0.007 0.000 1.368 413 H HN 0.171 nan 8.280 nan 0.000 0.592 414 R N 0.797 121.043 120.500 -0.423 0.000 2.468 414 R HA 0.314 4.654 4.340 -0.000 0.000 0.280 414 R C -0.407 175.879 176.300 -0.023 0.000 0.963 414 R CA -0.277 55.635 56.100 -0.312 0.000 1.083 414 R CB 0.113 30.121 30.300 -0.486 0.000 1.200 414 R HN 0.416 nan 8.270 nan 0.000 0.541 415 I N 0.904 121.477 120.570 0.003 0.000 2.297 415 I HA 0.033 4.202 4.170 -0.000 0.000 0.291 415 I C 1.671 177.843 176.117 0.091 0.000 1.033 415 I CA -0.094 61.241 61.300 0.058 0.000 1.253 415 I CB 1.628 39.635 38.000 0.012 0.000 1.396 415 I HN 0.034 nan 8.210 nan 0.000 0.476 416 S N 4.032 119.811 115.700 0.132 0.000 2.372 416 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 416 S C 1.514 176.167 174.600 0.089 0.000 1.044 416 S CA 2.097 60.359 58.200 0.102 0.000 1.050 416 S CB -0.053 63.221 63.200 0.122 0.000 0.901 416 S HN 0.692 nan 8.310 nan 0.000 0.447 417 D N 0.760 121.215 120.400 0.093 0.000 2.178 417 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 417 D C 1.907 178.284 176.300 0.128 0.000 0.980 417 D CA 0.764 54.819 54.000 0.091 0.000 0.842 417 D CB -0.248 40.594 40.800 0.070 0.000 0.948 417 D HN 0.386 nan 8.370 nan 0.000 0.472 418 I N 0.667 121.323 120.570 0.144 0.000 2.286 418 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 418 I C 2.305 178.612 176.117 0.317 0.000 1.104 418 I CA 0.828 62.272 61.300 0.241 0.000 1.397 418 I CB -0.742 37.374 38.000 0.193 0.000 1.072 418 I HN 0.005 nan 8.210 nan 0.000 0.417 419 R N 0.254 120.874 120.500 0.200 0.000 2.091 419 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 419 R C 2.256 178.667 176.300 0.185 0.000 1.136 419 R CA 1.948 58.150 56.100 0.169 0.000 0.959 419 R CB -0.686 29.664 30.300 0.082 0.000 0.856 419 R HN 0.333 nan 8.270 nan 0.000 0.437 420 T N 1.813 116.453 114.554 0.143 0.000 2.746 420 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 420 T C 1.717 176.505 174.700 0.147 0.000 1.039 420 T CA 1.064 63.235 62.100 0.118 0.000 1.142 420 T CB -0.214 68.704 68.868 0.083 0.000 0.866 420 T HN 0.088 nan 8.240 nan 0.000 0.444 421 L N 0.175 121.510 121.223 0.187 0.000 2.131 421 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 421 L C 1.354 178.260 176.870 0.060 0.000 1.092 421 L CA 1.669 56.593 54.840 0.140 0.000 0.759 421 L CB -0.621 41.532 42.059 0.156 0.000 0.903 421 L HN 0.333 nan 8.230 nan 0.000 0.435 422 Y N -0.196 120.194 120.300 0.151 0.000 2.470 422 Y HA 0.366 4.915 4.550 -0.000 0.000 0.284 422 Y C 1.674 177.648 175.900 0.124 0.000 1.188 422 Y CA 0.193 58.393 58.100 0.167 0.000 1.269 422 Y CB -0.186 38.353 38.460 0.132 0.000 1.094 422 Y HN 0.266 nan 8.280 nan 0.000 0.518 423 G N 0.473 109.383 108.800 0.183 0.000 2.225 423 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 423 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 423 G C 0.081 175.048 174.900 0.111 0.000 1.024 423 G CA 0.090 45.267 45.100 0.129 0.000 0.784 423 G HN 0.109 nan 8.290 nan 0.000 0.507 424 M N -0.277 119.392 119.600 0.114 0.000 2.494 424 M HA 0.363 4.843 4.480 -0.000 0.000 0.300 424 M C 0.604 176.939 176.300 0.057 0.000 1.189 424 M CA -1.519 53.823 55.300 0.071 0.000 0.982 424 M CB 0.518 33.149 32.600 0.053 0.000 1.534 424 M HN 0.157 nan 8.290 nan 0.000 0.488 425 N N 3.982 122.709 118.700 0.046 0.000 2.431 425 N HA 0.100 4.840 4.740 -0.000 0.000 0.265 425 N C -1.852 173.671 175.510 0.023 0.000 1.184 425 N CA -1.331 51.752 53.050 0.055 0.000 0.943 425 N CB 0.922 39.454 38.487 0.075 0.000 1.080 425 N HN 0.318 nan 8.380 nan 0.000 0.477 426 P HA -0.111 nan 4.420 nan 0.000 0.225 426 P C 0.096 177.288 177.300 -0.181 0.000 1.148 426 P CA 1.361 64.384 63.100 -0.128 0.000 0.779 426 P CB 0.160 31.739 31.700 -0.201 0.000 0.780 427 H N -1.386 117.721 119.070 0.062 0.000 2.562 427 H HA 0.151 4.707 4.556 -0.000 0.000 0.267 427 H C 1.262 176.599 175.328 0.016 0.000 0.959 427 H CA 0.052 56.138 56.048 0.063 0.000 1.204 427 H CB -0.024 29.772 29.762 0.057 0.000 1.430 427 H HN 0.082 nan 8.280 nan 0.000 0.545 428 S N 0.362 116.120 115.700 0.096 0.000 2.585 428 S HA 0.335 4.805 4.470 -0.000 0.000 0.273 428 S C 1.233 175.826 174.600 -0.012 0.000 1.339 428 S CA -0.096 58.127 58.200 0.037 0.000 1.028 428 S CB 0.853 64.070 63.200 0.029 0.000 0.906 428 S HN 0.413 nan 8.310 nan 0.000 0.528 429 A N 3.053 125.856 122.820 -0.027 0.000 2.423 429 A HA 0.371 4.690 4.320 -0.000 0.000 0.246 429 A C 0.829 178.436 177.584 0.039 0.000 1.278 429 A CA 0.037 52.052 52.037 -0.037 0.000 0.903 429 A CB -0.696 18.255 19.000 -0.082 0.000 0.997 429 A HN 1.058 nan 8.150 nan 0.000 0.510 430 S N 0.708 116.411 115.700 0.005 0.000 2.560 430 S HA 0.156 4.626 4.470 -0.000 0.000 0.284 430 S C -0.049 174.500 174.600 -0.085 0.000 1.327 430 S CA -0.366 57.809 58.200 -0.042 0.000 1.055 430 S CB 0.593 63.757 63.200 -0.059 0.000 0.868 430 S HN 0.410 nan 8.310 nan 0.000 0.506 431 E N 1.335 121.401 120.200 -0.224 0.000 2.398 431 E HA 0.270 4.620 4.350 -0.000 0.000 0.263 431 E C -0.188 176.181 176.600 -0.386 0.000 1.046 431 E CA 0.099 56.230 56.400 -0.448 0.000 0.908 431 E CB 0.696 30.154 29.700 -0.404 0.000 0.963 431 E HN 0.636 nan 8.360 nan 0.000 0.431 432 I N 1.707 121.964 120.570 -0.522 0.000 2.474 432 I HA 0.070 4.240 4.170 -0.000 0.000 0.294 432 I C -0.034 175.572 176.117 -0.850 0.000 1.005 432 I CA -0.781 60.067 61.300 -0.754 0.000 1.113 432 I CB 1.641 38.943 38.000 -1.162 0.000 1.289 432 I HN 0.260 nan 8.210 nan 0.000 0.436 433 D N 5.708 125.683 120.400 -0.709 0.000 2.479 433 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 433 D C 0.559 176.521 176.300 -0.563 0.000 1.131 433 D CA -0.249 53.455 54.000 -0.495 0.000 0.916 433 D CB 0.361 40.952 40.800 -0.348 0.000 1.022 433 D HN 0.254 nan 8.370 nan 0.000 0.515 434 F N 1.488 121.305 119.950 -0.220 0.000 2.494 434 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 434 F C 1.871 177.761 175.800 0.149 0.000 1.106 434 F CA 0.759 58.694 58.000 -0.108 0.000 1.452 434 F CB -0.044 38.890 39.000 -0.110 0.000 1.085 434 F HN 0.447 nan 8.300 nan 0.000 0.569 435 E N -1.235 119.097 120.200 0.220 0.000 2.474 435 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 435 E C -0.083 176.713 176.600 0.328 0.000 1.039 435 E CA -0.141 56.414 56.400 0.257 0.000 0.881 435 E CB -0.041 29.750 29.700 0.151 0.000 0.970 435 E HN 0.199 nan 8.360 nan 0.000 0.486 436 F N 1.234 121.210 119.950 0.043 0.000 2.943 436 F HA -0.296 4.231 4.527 -0.000 0.000 0.258 436 F C 1.116 176.922 175.800 0.010 0.000 0.995 436 F CA 0.562 58.575 58.000 0.022 0.000 0.896 436 F CB -1.475 37.547 39.000 0.036 0.000 0.821 436 F HN 0.030 nan 8.300 nan 0.000 0.828 437 K N -0.921 119.535 120.400 0.094 0.000 2.167 437 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 437 K C 1.399 178.026 176.600 0.045 0.000 1.052 437 K CA 1.455 57.782 56.287 0.065 0.000 0.956 437 K CB 0.025 32.544 32.500 0.032 0.000 0.735 437 K HN 0.550 nan 8.250 nan 0.000 0.451 438 T N -2.502 112.064 114.554 0.020 0.000 2.938 438 T HA 0.175 4.525 4.350 -0.000 0.000 0.285 438 T C 0.948 175.663 174.700 0.024 0.000 1.028 438 T CA -0.849 61.258 62.100 0.011 0.000 1.005 438 T CB 1.806 70.662 68.868 -0.019 0.000 1.157 438 T HN -0.042 nan 8.240 nan 0.000 0.550 439 Q N -0.212 119.598 119.800 0.018 0.000 2.172 439 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 439 Q C 1.556 177.564 176.000 0.012 0.000 0.964 439 Q CA 1.522 57.340 55.803 0.025 0.000 0.855 439 Q CB -0.240 28.508 28.738 0.017 0.000 0.918 439 Q HN 0.832 nan 8.270 nan 0.000 0.444 440 D N 0.604 120.997 120.400 -0.012 0.000 2.097 440 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 440 D C 1.795 178.064 176.300 -0.052 0.000 0.989 440 D CA 1.498 55.479 54.000 -0.031 0.000 0.827 440 D CB -0.001 40.770 40.800 -0.047 0.000 0.966 440 D HN 0.232 nan 8.370 nan 0.000 0.456 441 A N -0.405 122.366 122.820 -0.081 0.000 1.877 441 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 441 A C 2.372 179.905 177.584 -0.085 0.000 1.186 441 A CA 2.675 54.607 52.037 -0.174 0.000 0.620 441 A CB -1.406 17.433 19.000 -0.269 0.000 0.822 441 A HN 0.456 nan 8.150 nan 0.000 0.443 442 T N -2.247 112.355 114.554 0.080 0.000 3.007 442 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 442 T C 1.685 176.464 174.700 0.132 0.000 1.107 442 T CA 1.617 63.854 62.100 0.228 0.000 1.118 442 T CB -0.153 68.837 68.868 0.203 0.000 0.889 442 T HN 0.569 nan 8.240 nan 0.000 0.506 443 K N 1.073 121.508 120.400 0.058 0.000 2.166 443 K HA 0.102 4.422 4.320 -0.000 0.000 0.201 443 K C 1.948 178.565 176.600 0.028 0.000 1.052 443 K CA 0.533 56.843 56.287 0.039 0.000 0.969 443 K CB 0.112 32.622 32.500 0.016 0.000 0.761 443 K HN 0.290 nan 8.250 nan 0.000 0.459 444 K N 0.107 120.507 120.400 0.000 0.000 2.367 444 K HA 0.085 4.405 4.320 -0.000 0.000 0.194 444 K C 0.206 176.806 176.600 0.001 0.000 1.027 444 K CA 0.158 56.438 56.287 -0.012 0.000 1.075 444 K CB 0.758 33.228 32.500 -0.050 0.000 0.845 444 K HN 0.158 nan 8.250 nan 0.000 0.529 445 Q N 0.356 120.171 119.800 0.026 0.000 2.359 445 Q HA 0.390 4.730 4.340 -0.000 0.000 0.275 445 Q C -0.679 175.486 176.000 0.276 0.000 1.082 445 Q CA -1.129 54.733 55.803 0.098 0.000 0.849 445 Q CB 1.715 30.386 28.738 -0.112 0.000 1.377 445 Q HN -0.142 nan 8.270 nan 0.000 0.452 446 R N 1.282 121.976 120.500 0.324 0.000 2.437 446 R HA 0.410 4.750 4.340 -0.000 0.000 0.310 446 R C -0.714 175.755 176.300 0.282 0.000 0.955 446 R CA -0.714 55.537 56.100 0.252 0.000 0.851 446 R CB 1.278 31.663 30.300 0.140 0.000 1.161 446 R HN 0.531 nan 8.270 nan 0.000 0.446 447 R N 2.741 123.266 120.500 0.042 0.000 2.522 447 R HA 0.119 4.459 4.340 -0.000 0.000 0.284 447 R C -1.957 174.277 176.300 -0.110 0.000 1.032 447 R CA -1.263 54.679 56.100 -0.262 0.000 1.049 447 R CB -0.070 29.956 30.300 -0.456 0.000 0.956 447 R HN 0.240 nan 8.270 nan 0.000 0.422 448 P HA 0.004 nan 4.420 nan 0.000 0.265 448 P C -0.638 176.788 177.300 0.210 0.000 1.193 448 P CA 0.281 63.353 63.100 -0.047 0.000 0.765 448 P CB 0.510 32.050 31.700 -0.266 0.000 0.823 449 I N 4.325 125.013 120.570 0.196 0.000 2.466 449 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 449 I C -2.628 173.429 176.117 -0.099 0.000 1.026 449 I CA -3.140 58.184 61.300 0.041 0.000 1.078 449 I CB 2.361 40.358 38.000 -0.005 0.000 1.249 449 I HN 0.193 nan 8.210 nan 0.000 0.429 450 P HA 0.068 nan 4.420 nan 0.000 0.266 450 P C -1.450 175.735 177.300 -0.192 0.000 1.195 450 P CA -0.164 62.538 63.100 -0.662 0.000 0.768 450 P CB 0.389 31.550 31.700 -0.898 0.000 0.838 451 K N 3.036 123.421 120.400 -0.026 0.000 2.266 451 K HA 0.523 4.843 4.320 -0.000 0.000 0.274 451 K C 0.646 177.376 176.600 0.216 0.000 1.090 451 K CA 0.409 56.756 56.287 0.099 0.000 0.925 451 K CB -0.480 32.102 32.500 0.137 0.000 1.225 451 K HN 0.700 nan 8.250 nan 0.000 0.458 452 G N 2.594 111.459 108.800 0.109 0.000 2.562 452 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.250 452 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.250 452 G C -1.149 173.666 174.900 -0.142 0.000 1.269 452 G CA 0.179 45.248 45.100 -0.053 0.000 0.919 452 G HN 0.902 nan 8.290 nan 0.000 0.574 453 H N -1.921 116.829 119.070 -0.533 0.000 2.996 453 H HA 0.604 5.160 4.556 -0.000 0.000 0.368 453 H C -0.744 174.407 175.328 -0.296 0.000 1.185 453 H CA 0.060 55.906 56.048 -0.337 0.000 1.160 453 H CB 1.958 31.527 29.762 -0.321 0.000 1.820 453 H HN 1.129 nan 8.280 nan 0.000 0.547 454 C N 3.831 122.924 119.300 -0.346 0.000 2.482 454 C HA 0.718 5.178 4.460 -0.000 0.000 0.317 454 C C -0.827 174.134 174.990 -0.048 0.000 1.197 454 C CA -0.076 58.913 59.018 -0.047 0.000 1.432 454 C CB 0.620 28.421 27.740 0.102 0.000 2.062 454 C HN 0.889 nan 8.230 nan 0.000 0.471 455 T N 4.330 118.945 114.554 0.102 0.000 2.807 455 T HA 0.754 5.104 4.350 -0.000 0.000 0.279 455 T C -0.330 174.425 174.700 0.092 0.000 0.993 455 T CA -0.217 61.950 62.100 0.111 0.000 0.970 455 T CB 1.488 70.442 68.868 0.143 0.000 0.950 455 T HN 1.079 nan 8.240 nan 0.000 0.441 456 A N 1.766 124.612 122.820 0.044 0.000 2.343 456 A HA 0.709 5.029 4.320 -0.000 0.000 0.316 456 A C -0.504 177.022 177.584 -0.097 0.000 1.104 456 A CA -0.619 51.358 52.037 -0.099 0.000 0.768 456 A CB 0.780 19.718 19.000 -0.103 0.000 1.213 456 A HN 0.927 nan 8.150 nan 0.000 0.456 457 C N 1.482 120.670 119.300 -0.186 0.000 2.408 457 C HA 0.655 5.115 4.460 -0.000 0.000 0.321 457 C C 0.478 175.309 174.990 -0.266 0.000 1.245 457 C CA -0.620 58.290 59.018 -0.179 0.000 1.523 457 C CB 1.193 28.807 27.740 -0.210 0.000 2.178 457 C HN 0.998 nan 8.230 nan 0.000 0.488 458 R N 3.140 123.482 120.500 -0.263 0.000 2.340 458 R HA 0.698 5.038 4.340 -0.000 0.000 0.300 458 R C -0.550 175.585 176.300 -0.274 0.000 1.069 458 R CA -0.098 55.708 56.100 -0.490 0.000 0.984 458 R CB 0.404 30.507 30.300 -0.327 0.000 1.003 458 R HN 0.847 nan 8.270 nan 0.000 0.459 459 I N 0.338 120.728 120.570 -0.300 0.000 2.646 459 I HA 0.599 4.769 4.170 -0.000 0.000 0.299 459 I C -0.651 175.572 176.117 0.177 0.000 1.036 459 I CA -0.888 60.361 61.300 -0.085 0.000 1.074 459 I CB 2.441 40.287 38.000 -0.256 0.000 1.258 459 I HN 0.620 nan 8.210 nan 0.000 0.430 460 T N 0.853 115.582 114.554 0.292 0.000 2.907 460 T HA 0.708 5.058 4.350 -0.000 0.000 0.292 460 T C -0.542 174.181 174.700 0.037 0.000 1.043 460 T CA -0.726 61.489 62.100 0.191 0.000 1.003 460 T CB 1.831 70.757 68.868 0.096 0.000 1.084 460 T HN 0.829 nan 8.240 nan 0.000 0.483 461 S N 0.300 115.816 115.700 -0.308 0.000 2.618 461 S HA 0.557 5.027 4.470 -0.000 0.000 0.277 461 S C -1.770 172.597 174.600 -0.388 0.000 1.138 461 S CA -0.764 57.136 58.200 -0.499 0.000 0.844 461 S CB 1.697 64.201 63.200 -1.160 0.000 1.127 461 S HN 0.802 nan 8.310 nan 0.000 0.474 462 E N 1.959 121.981 120.200 -0.297 0.000 2.182 462 E HA 0.284 4.634 4.350 -0.000 0.000 0.258 462 E C -1.671 174.820 176.600 -0.182 0.000 0.879 462 E CA -0.419 55.853 56.400 -0.213 0.000 0.754 462 E CB 1.460 31.072 29.700 -0.147 0.000 1.162 462 E HN 0.455 nan 8.360 nan 0.000 0.419 463 D N 4.830 125.139 120.400 -0.153 0.000 2.513 463 D HA 0.217 4.857 4.640 -0.000 0.000 0.295 463 D C -2.535 173.739 176.300 -0.043 0.000 1.202 463 D CA -2.066 51.871 54.000 -0.104 0.000 0.849 463 D CB 1.033 41.765 40.800 -0.112 0.000 1.116 463 D HN 0.121 nan 8.370 nan 0.000 0.502 464 P HA -0.015 nan 4.420 nan 0.000 0.263 464 P C -0.199 177.120 177.300 0.031 0.000 1.175 464 P CA 0.084 63.187 63.100 0.005 0.000 0.761 464 P CB 0.426 32.127 31.700 0.001 0.000 0.794 465 N N 3.099 121.831 118.700 0.053 0.000 2.405 465 N HA 0.012 4.752 4.740 -0.000 0.000 0.260 465 N C -0.044 175.473 175.510 0.011 0.000 1.152 465 N CA 0.288 53.361 53.050 0.038 0.000 0.948 465 N CB 0.424 38.941 38.487 0.050 0.000 1.111 465 N HN 0.479 nan 8.380 nan 0.000 0.485 466 D N 0.415 120.815 120.400 0.000 0.000 2.623 466 D HA 0.225 4.865 4.640 -0.000 0.000 0.252 466 D C 1.205 177.375 176.300 -0.217 0.000 1.294 466 D CA -0.465 53.502 54.000 -0.054 0.000 0.824 466 D CB 0.229 41.058 40.800 0.048 0.000 1.070 466 D HN 0.584 nan 8.370 nan 0.000 0.487 467 G N 0.316 109.016 108.800 -0.167 0.000 2.708 467 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.229 467 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.229 467 G C 0.227 175.024 174.900 -0.172 0.000 1.236 467 G CA -0.061 44.902 45.100 -0.229 0.000 0.749 467 G HN 0.369 nan 8.290 nan 0.000 0.515 468 F N 2.186 122.122 119.950 -0.023 0.000 2.629 468 F HA 0.357 4.884 4.527 -0.000 0.000 0.369 468 F C 1.125 176.912 175.800 -0.022 0.000 1.125 468 F CA 0.367 58.353 58.000 -0.022 0.000 1.330 468 F CB 0.535 39.522 39.000 -0.023 0.000 1.071 468 F HN 0.173 nan 8.300 nan 0.000 0.595 469 K N 5.385 125.898 120.400 0.189 0.000 2.430 469 K HA 0.139 4.459 4.320 -0.000 0.000 0.280 469 K C -2.520 174.129 176.600 0.081 0.000 1.063 469 K CA -0.994 55.350 56.287 0.095 0.000 1.071 469 K CB 0.035 32.576 32.500 0.069 0.000 0.899 469 K HN 0.142 nan 8.250 nan 0.000 0.473 470 P HA 0.146 nan 4.420 nan 0.000 0.274 470 P C -0.864 176.462 177.300 0.044 0.000 1.256 470 P CA -0.523 62.607 63.100 0.050 0.000 0.795 470 P CB 0.681 32.420 31.700 0.065 0.000 1.038 471 S N 0.336 116.042 115.700 0.010 0.000 2.544 471 S HA 0.262 4.732 4.470 -0.000 0.000 0.290 471 S C 0.969 175.648 174.600 0.131 0.000 1.276 471 S CA -0.033 58.178 58.200 0.018 0.000 1.075 471 S CB -0.409 62.728 63.200 -0.105 0.000 0.849 471 S HN 0.696 nan 8.310 nan 0.000 0.494 472 G N 2.211 111.071 108.800 0.099 0.000 2.568 472 G HA2 0.426 4.386 3.960 -0.000 0.000 0.231 472 G HA3 0.426 4.386 3.960 -0.000 0.000 0.231 472 G C 0.598 175.588 174.900 0.150 0.000 1.261 472 G CA 0.097 45.258 45.100 0.101 0.000 0.855 472 G HN 1.318 nan 8.290 nan 0.000 0.576 473 G N -0.119 108.737 108.800 0.093 0.000 2.730 473 G HA2 0.191 4.151 3.960 -0.000 0.000 0.686 473 G HA3 0.191 4.151 3.960 -0.000 0.000 0.686 473 G C 0.621 175.527 174.900 0.010 0.000 1.343 473 G CA 0.542 45.676 45.100 0.056 0.000 0.826 473 G HN 1.942 nan 8.290 nan 0.000 0.582 474 T N -2.360 112.171 114.554 -0.037 0.000 3.044 474 T HA 0.515 4.865 4.350 -0.000 0.000 0.260 474 T C 0.483 175.072 174.700 -0.185 0.000 1.019 474 T CA 0.930 62.988 62.100 -0.071 0.000 0.921 474 T CB 0.370 69.291 68.868 0.088 0.000 1.053 474 T HN 1.478 nan 8.240 nan 0.000 0.533 475 L N 3.192 124.292 121.223 -0.204 0.000 2.388 475 L HA 0.445 4.785 4.340 -0.000 0.000 0.267 475 L C -1.328 175.491 176.870 -0.084 0.000 0.995 475 L CA -0.837 53.955 54.840 -0.080 0.000 0.864 475 L CB 0.734 42.830 42.059 0.061 0.000 1.216 475 L HN 0.193 nan 8.230 nan 0.000 0.430 476 H N 3.993 123.198 119.070 0.224 0.000 2.761 476 H HA 0.374 4.930 4.556 -0.000 0.000 0.284 476 H C -0.545 174.867 175.328 0.141 0.000 1.105 476 H CA -0.335 55.813 56.048 0.168 0.000 1.352 476 H CB 0.549 30.412 29.762 0.169 0.000 1.423 476 H HN 0.596 nan 8.280 nan 0.000 0.464 477 E N 2.963 123.269 120.200 0.177 0.000 2.277 477 E HA 0.346 4.696 4.350 -0.000 0.000 0.274 477 E C -0.147 176.389 176.600 -0.108 0.000 1.022 477 E CA -0.720 55.696 56.400 0.026 0.000 0.853 477 E CB 1.690 31.493 29.700 0.172 0.000 1.086 477 E HN 0.406 nan 8.360 nan 0.000 0.397 478 L N 2.941 123.953 121.223 -0.351 0.000 2.276 478 L HA 0.343 4.683 4.340 -0.000 0.000 0.286 478 L C -0.551 175.988 176.870 -0.552 0.000 1.024 478 L CA -0.618 53.901 54.840 -0.534 0.000 0.826 478 L CB 0.658 42.237 42.059 -0.799 0.000 1.211 478 L HN 0.395 nan 8.230 nan 0.000 0.422 479 N N 3.607 122.091 118.700 -0.360 0.000 2.817 479 N HA 0.336 5.076 4.740 -0.000 0.000 0.234 479 N C -0.831 174.577 175.510 -0.170 0.000 1.066 479 N CA -0.374 52.599 53.050 -0.129 0.000 0.926 479 N CB 0.358 38.848 38.487 0.005 0.000 1.176 479 N HN 0.287 nan 8.380 nan 0.000 0.506 480 F N 0.769 120.742 119.950 0.039 0.000 2.602 480 F HA 0.030 4.557 4.527 -0.000 0.000 0.385 480 F C 1.865 177.685 175.800 0.033 0.000 1.063 480 F CA 0.054 58.071 58.000 0.028 0.000 1.233 480 F CB 0.670 39.685 39.000 0.026 0.000 1.067 480 F HN 0.327 nan 8.300 nan 0.000 0.564 481 R N 0.672 121.273 120.500 0.169 0.000 2.200 481 R HA -0.045 4.295 4.340 -0.000 0.000 0.208 481 R C 1.883 178.246 176.300 0.105 0.000 1.033 481 R CA 1.151 57.316 56.100 0.108 0.000 1.000 481 R CB -0.110 30.229 30.300 0.065 0.000 0.906 481 R HN 0.687 nan 8.270 nan 0.000 0.462 482 S N -0.834 114.944 115.700 0.129 0.000 2.517 482 S HA 0.159 4.629 4.470 -0.000 0.000 0.214 482 S C 0.493 175.123 174.600 0.049 0.000 0.991 482 S CA -0.489 57.759 58.200 0.079 0.000 0.906 482 S CB 0.552 63.795 63.200 0.071 0.000 0.789 482 S HN -0.073 nan 8.310 nan 0.000 0.513 483 S N 0.939 116.680 115.700 0.069 0.000 2.500 483 S HA 0.554 5.024 4.470 -0.000 0.000 0.301 483 S C 0.232 174.847 174.600 0.024 0.000 1.092 483 S CA -0.769 57.423 58.200 -0.013 0.000 1.030 483 S CB 1.989 65.126 63.200 -0.104 0.000 1.031 483 S HN 0.253 nan 8.310 nan 0.000 0.483 484 S N 1.723 117.400 115.700 -0.039 0.000 2.503 484 S HA 0.102 4.572 4.470 -0.000 0.000 0.215 484 S C 0.732 175.348 174.600 0.026 0.000 1.003 484 S CA -0.010 58.193 58.200 0.005 0.000 0.910 484 S CB -0.011 63.179 63.200 -0.018 0.000 0.790 484 S HN 0.646 nan 8.310 nan 0.000 0.514 485 N N 1.672 120.366 118.700 -0.010 0.000 2.389 485 N HA 0.270 5.010 4.740 -0.000 0.000 0.260 485 N C -0.966 174.644 175.510 0.167 0.000 1.191 485 N CA 0.189 53.302 53.050 0.104 0.000 0.885 485 N CB 1.441 40.040 38.487 0.186 0.000 1.162 485 N HN 0.097 nan 8.380 nan 0.000 0.512 486 V N 0.451 120.454 119.914 0.149 0.000 2.841 486 V HA 0.536 4.656 4.120 -0.000 0.000 0.310 486 V C -1.308 175.029 176.094 0.406 0.000 1.090 486 V CA -0.974 61.421 62.300 0.159 0.000 0.930 486 V CB 2.873 34.574 31.823 -0.204 0.000 1.014 486 V HN 0.261 nan 8.190 nan 0.000 0.425 487 W N 2.421 123.903 121.300 0.303 0.000 3.138 487 W HA 0.800 5.460 4.660 -0.000 0.000 0.331 487 W C -0.189 176.620 176.519 0.484 0.000 1.166 487 W CA -0.081 57.514 57.345 0.415 0.000 1.212 487 W CB 2.171 31.804 29.460 0.289 0.000 1.399 487 W HN 0.928 nan 8.180 nan 0.000 0.514 488 G N 2.650 111.115 108.800 -0.558 0.000 2.649 488 G HA2 0.688 4.648 3.960 -0.000 0.000 0.290 488 G HA3 0.688 4.648 3.960 -0.000 0.000 0.290 488 G C -2.238 172.138 174.900 -0.873 0.000 1.426 488 G CA -0.326 44.450 45.100 -0.540 0.000 0.794 488 G HN 1.117 nan 8.290 nan 0.000 0.483 489 Y N -2.210 117.697 120.300 -0.656 0.000 2.677 489 Y HA 0.807 5.357 4.550 -0.000 0.000 0.334 489 Y C -2.168 173.540 175.900 -0.320 0.000 1.196 489 Y CA -2.440 55.404 58.100 -0.426 0.000 1.059 489 Y CB 1.268 39.574 38.460 -0.256 0.000 1.315 489 Y HN 0.535 nan 8.280 nan 0.000 0.455 490 F N 1.817 121.811 119.950 0.073 0.000 2.556 490 F HA 0.680 5.207 4.527 -0.000 0.000 0.314 490 F C -0.429 175.514 175.800 0.238 0.000 1.106 490 F CA -0.783 57.256 58.000 0.064 0.000 0.911 490 F CB 2.566 41.618 39.000 0.086 0.000 1.190 490 F HN 0.732 nan 8.300 nan 0.000 0.448 491 S N 1.819 117.800 115.700 0.469 0.000 2.526 491 S HA 0.687 5.157 4.470 -0.000 0.000 0.293 491 S C -1.070 173.676 174.600 0.242 0.000 1.092 491 S CA -0.903 57.488 58.200 0.317 0.000 0.980 491 S CB 1.617 65.064 63.200 0.410 0.000 1.048 491 S HN 0.323 nan 8.310 nan 0.000 0.483 492 V N 2.515 122.516 119.914 0.145 0.000 2.479 492 V HA 0.399 4.519 4.120 -0.000 0.000 0.281 492 V C 1.239 177.459 176.094 0.210 0.000 1.031 492 V CA 0.282 62.683 62.300 0.168 0.000 1.038 492 V CB 0.485 32.396 31.823 0.146 0.000 0.981 492 V HN 1.095 nan 8.190 nan 0.000 0.478 493 G N 5.036 113.977 108.800 0.235 0.000 2.770 493 G HA2 0.210 4.170 3.960 -0.000 0.000 0.307 493 G HA3 0.210 4.170 3.960 -0.000 0.000 0.307 493 G C 0.008 175.072 174.900 0.274 0.000 0.863 493 G CA -0.456 44.810 45.100 0.276 0.000 1.595 493 G HN 0.632 nan 8.290 nan 0.000 0.496 494 N N 1.572 120.434 118.700 0.271 0.000 2.487 494 N HA 0.213 4.953 4.740 -0.000 0.000 0.292 494 N C 0.371 176.086 175.510 0.341 0.000 1.108 494 N CA -0.551 52.681 53.050 0.303 0.000 0.956 494 N CB 0.973 39.633 38.487 0.289 0.000 1.176 494 N HN 0.450 nan 8.380 nan 0.000 0.484 495 N N -0.557 118.345 118.700 0.338 0.000 2.714 495 N HA -0.150 4.590 4.740 -0.000 0.000 0.253 495 N C 0.322 176.057 175.510 0.375 0.000 1.024 495 N CA 0.877 54.131 53.050 0.340 0.000 0.726 495 N CB -1.220 37.515 38.487 0.412 0.000 0.908 495 N HN 0.696 nan 8.380 nan 0.000 0.542 496 G N 0.295 109.267 108.800 0.288 0.000 2.535 496 G HA2 0.111 4.071 3.960 -0.000 0.000 0.282 496 G HA3 0.111 4.071 3.960 -0.000 0.000 0.282 496 G C 0.929 175.929 174.900 0.166 0.000 1.350 496 G CA -0.049 45.191 45.100 0.233 0.000 1.039 496 G HN 0.345 nan 8.290 nan 0.000 0.509 497 N N -1.171 117.586 118.700 0.095 0.000 2.376 497 N HA 0.014 4.754 4.740 -0.000 0.000 0.177 497 N C 1.782 177.275 175.510 -0.029 0.000 1.024 497 N CA 0.445 53.524 53.050 0.050 0.000 0.893 497 N CB 0.123 38.631 38.487 0.034 0.000 0.980 497 N HN 0.494 nan 8.380 nan 0.000 0.439 498 I N -0.783 119.721 120.570 -0.109 0.000 3.445 498 I HA 0.066 4.236 4.170 -0.000 0.000 0.288 498 I C -0.023 175.825 176.117 -0.449 0.000 1.198 498 I CA 0.247 61.354 61.300 -0.321 0.000 1.417 498 I CB 0.186 37.889 38.000 -0.494 0.000 1.205 498 I HN 0.014 nan 8.210 nan 0.000 0.448 499 H N 0.390 119.473 119.070 0.021 0.000 2.609 499 H HA 0.267 4.823 4.556 -0.000 0.000 0.344 499 H C 0.730 176.069 175.328 0.018 0.000 1.040 499 H CA -0.243 55.786 56.048 -0.032 0.000 1.216 499 H CB 1.902 31.642 29.762 -0.036 0.000 1.529 499 H HN -0.001 nan 8.280 nan 0.000 0.519 500 S N 2.755 118.514 115.700 0.098 0.000 2.453 500 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 500 S C 0.431 175.231 174.600 0.332 0.000 1.005 500 S CA 0.300 58.621 58.200 0.201 0.000 0.949 500 S CB -0.342 62.993 63.200 0.225 0.000 0.774 500 S HN 0.482 nan 8.310 nan 0.000 0.510 501 F N -1.379 118.674 119.950 0.173 0.000 2.719 501 F HA 0.807 5.334 4.527 -0.000 0.000 0.309 501 F C -0.956 174.904 175.800 0.101 0.000 1.138 501 F CA -0.924 57.157 58.000 0.136 0.000 0.943 501 F CB 1.143 40.203 39.000 0.100 0.000 1.304 501 F HN -0.050 nan 8.300 nan 0.000 0.445 502 S N 0.194 116.025 115.700 0.218 0.000 2.570 502 S HA 0.381 4.851 4.470 -0.000 0.000 0.270 502 S C -0.753 173.896 174.600 0.082 0.000 1.149 502 S CA -0.559 57.649 58.200 0.013 0.000 0.837 502 S CB 1.728 64.877 63.200 -0.085 0.000 1.124 502 S HN 0.735 nan 8.310 nan 0.000 0.465 503 D N 1.392 121.790 120.400 -0.003 0.000 2.289 503 D HA 0.150 4.790 4.640 -0.000 0.000 0.207 503 D C 0.342 176.585 176.300 -0.095 0.000 0.966 503 D CA 0.748 54.741 54.000 -0.011 0.000 0.868 503 D CB 0.119 40.906 40.800 -0.023 0.000 0.943 503 D HN 0.379 nan 8.370 nan 0.000 0.514 504 S N 0.363 115.967 115.700 -0.159 0.000 2.610 504 S HA 0.379 4.849 4.470 -0.000 0.000 0.273 504 S C 0.080 174.434 174.600 -0.409 0.000 1.274 504 S CA -0.518 57.487 58.200 -0.326 0.000 1.023 504 S CB 1.898 64.863 63.200 -0.391 0.000 0.962 504 S HN 0.025 nan 8.310 nan 0.000 0.523 505 Q N 0.927 120.382 119.800 -0.575 0.000 2.323 505 Q HA 0.520 4.860 4.340 -0.000 0.000 0.271 505 Q C -1.575 174.142 176.000 -0.471 0.000 1.048 505 Q CA -0.335 55.239 55.803 -0.382 0.000 0.792 505 Q CB 1.664 30.302 28.738 -0.167 0.000 1.280 505 Q HN 0.569 nan 8.270 nan 0.000 0.441 506 F N -0.109 119.968 119.950 0.210 0.000 2.575 506 F HA 0.932 5.459 4.527 -0.000 0.000 0.330 506 F C 0.895 176.779 175.800 0.140 0.000 1.056 506 F CA -0.570 57.536 58.000 0.178 0.000 0.964 506 F CB 2.156 41.222 39.000 0.109 0.000 1.258 506 F HN 0.610 nan 8.300 nan 0.000 0.484 507 G N -0.390 108.416 108.800 0.011 0.000 2.490 507 G HA2 0.553 4.513 3.960 -0.000 0.000 0.308 507 G HA3 0.553 4.513 3.960 -0.000 0.000 0.308 507 G C -2.388 172.010 174.900 -0.837 0.000 1.286 507 G CA -0.642 44.106 45.100 -0.586 0.000 0.825 507 G HN 0.647 nan 8.290 nan 0.000 0.479 508 H N -1.619 116.796 119.070 -1.092 0.000 2.980 508 H HA 0.716 5.272 4.556 -0.000 0.000 0.367 508 H C -0.743 174.184 175.328 -0.669 0.000 1.206 508 H CA -0.491 55.145 56.048 -0.687 0.000 1.126 508 H CB 2.166 31.598 29.762 -0.550 0.000 1.838 508 H HN 0.455 nan 8.280 nan 0.000 0.552 509 I N 2.183 122.471 120.570 -0.469 0.000 2.498 509 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 509 I C -1.115 174.795 176.117 -0.344 0.000 1.032 509 I CA -0.546 60.586 61.300 -0.280 0.000 1.073 509 I CB 1.356 39.230 38.000 -0.211 0.000 1.251 509 I HN 0.319 nan 8.210 nan 0.000 0.426 510 F N 4.459 124.514 119.950 0.175 0.000 2.482 510 F HA 0.718 5.245 4.527 -0.000 0.000 0.331 510 F C 0.299 176.195 175.800 0.160 0.000 1.115 510 F CA -0.612 57.499 58.000 0.184 0.000 0.955 510 F CB 1.942 41.098 39.000 0.260 0.000 1.136 510 F HN 0.385 nan 8.300 nan 0.000 0.452 511 A N 3.986 126.975 122.820 0.283 0.000 2.356 511 A HA 0.712 5.032 4.320 -0.000 0.000 0.310 511 A C -1.731 176.028 177.584 0.291 0.000 1.075 511 A CA -0.540 51.640 52.037 0.238 0.000 0.746 511 A CB 0.786 19.862 19.000 0.127 0.000 1.221 511 A HN 0.671 nan 8.150 nan 0.000 0.443 512 F N 2.147 122.215 119.950 0.196 0.000 2.432 512 F HA 0.778 5.305 4.527 -0.000 0.000 0.329 512 F C 0.444 176.398 175.800 0.257 0.000 1.076 512 F CA 0.271 58.380 58.000 0.181 0.000 1.018 512 F CB 1.907 40.988 39.000 0.135 0.000 1.201 512 F HN 0.805 nan 8.300 nan 0.000 0.489 513 G N 3.192 111.463 108.800 -0.881 0.000 2.698 513 G HA2 0.254 4.214 3.960 -0.000 0.000 0.293 513 G HA3 0.254 4.214 3.960 -0.000 0.000 0.293 513 G C -0.508 173.910 174.900 -0.803 0.000 1.437 513 G CA -0.336 44.439 45.100 -0.542 0.000 0.852 513 G HN 0.734 nan 8.290 nan 0.000 0.499 514 E N -0.604 119.405 120.200 -0.318 0.000 2.265 514 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 514 E C 0.725 177.191 176.600 -0.222 0.000 0.996 514 E CA 1.268 57.558 56.400 -0.184 0.000 0.832 514 E CB -0.235 29.442 29.700 -0.037 0.000 0.756 514 E HN 0.489 nan 8.360 nan 0.000 0.491 515 N N -1.131 117.404 118.700 -0.276 0.000 3.039 515 N HA 0.120 4.860 4.740 -0.000 0.000 0.257 515 N C 0.040 175.279 175.510 -0.453 0.000 1.497 515 N CA -0.841 52.033 53.050 -0.294 0.000 0.861 515 N CB 0.865 39.208 38.487 -0.241 0.000 1.479 515 N HN -0.119 nan 8.380 nan 0.000 0.547 516 R N -0.437 119.632 120.500 -0.719 0.000 2.096 516 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 516 R C 1.721 177.718 176.300 -0.505 0.000 1.139 516 R CA 2.161 57.642 56.100 -1.031 0.000 0.952 516 R CB -0.235 29.521 30.300 -0.906 0.000 0.854 516 R HN 0.791 nan 8.270 nan 0.000 0.436 517 Q N -0.468 119.112 119.800 -0.367 0.000 2.084 517 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 517 Q C 1.896 177.738 176.000 -0.263 0.000 0.978 517 Q CA 1.713 57.362 55.803 -0.256 0.000 0.844 517 Q CB -0.132 28.485 28.738 -0.202 0.000 0.898 517 Q HN 0.487 nan 8.270 nan 0.000 0.426 518 A N 0.606 123.234 122.820 -0.321 0.000 1.898 518 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 518 A C 2.237 179.445 177.584 -0.625 0.000 1.181 518 A CA 1.842 53.601 52.037 -0.464 0.000 0.620 518 A CB -0.840 17.922 19.000 -0.396 0.000 0.819 518 A HN 0.619 nan 8.150 nan 0.000 0.442 519 S N -0.245 115.227 115.700 -0.379 0.000 2.383 519 S HA -0.201 4.269 4.470 -0.000 0.000 0.227 519 S C 2.081 176.625 174.600 -0.093 0.000 1.026 519 S CA 1.219 59.306 58.200 -0.189 0.000 0.981 519 S CB -0.503 62.689 63.200 -0.013 0.000 0.818 519 S HN 0.607 nan 8.310 nan 0.000 0.472 520 R N 1.801 122.244 120.500 -0.094 0.000 2.073 520 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 520 R C 2.538 178.815 176.300 -0.039 0.000 1.134 520 R CA 1.733 57.830 56.100 -0.005 0.000 0.952 520 R CB -0.391 29.923 30.300 0.022 0.000 0.850 520 R HN 0.577 nan 8.270 nan 0.000 0.433 521 K N -0.267 120.065 120.400 -0.113 0.000 2.032 521 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 521 K C 1.850 178.462 176.600 0.020 0.000 1.048 521 K CA 2.055 58.298 56.287 -0.073 0.000 0.927 521 K CB -0.278 32.149 32.500 -0.122 0.000 0.712 521 K HN 0.500 nan 8.250 nan 0.000 0.441 522 H N -0.535 118.516 119.070 -0.032 0.000 2.387 522 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 522 H C 2.160 177.438 175.328 -0.085 0.000 1.090 522 H CA 1.291 57.315 56.048 -0.040 0.000 1.332 522 H CB -0.008 29.750 29.762 -0.006 0.000 1.386 522 H HN 0.227 nan 8.280 nan 0.000 0.516 523 M N 0.669 120.295 119.600 0.043 0.000 2.086 523 M HA -0.132 4.347 4.480 -0.000 0.000 0.261 523 M C 2.123 178.369 176.300 -0.090 0.000 1.067 523 M CA 1.250 56.519 55.300 -0.052 0.000 1.116 523 M CB -0.354 32.222 32.600 -0.039 0.000 1.348 523 M HN 0.047 nan 8.290 nan 0.000 0.407 524 V N -0.599 119.283 119.914 -0.054 0.000 2.332 524 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 524 V C 2.413 178.476 176.094 -0.051 0.000 1.055 524 V CA 1.827 64.093 62.300 -0.056 0.000 1.038 524 V CB -0.961 30.843 31.823 -0.032 0.000 0.651 524 V HN 0.428 nan 8.190 nan 0.000 0.450 525 V N 0.234 120.129 119.914 -0.031 0.000 2.332 525 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 525 V C 2.680 178.729 176.094 -0.075 0.000 1.055 525 V CA 2.134 64.418 62.300 -0.027 0.000 1.038 525 V CB -1.154 30.672 31.823 0.003 0.000 0.651 525 V HN 0.576 nan 8.190 nan 0.000 0.450 526 A N -0.336 122.370 122.820 -0.189 0.000 1.898 526 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 526 A C 2.212 179.684 177.584 -0.187 0.000 1.181 526 A CA 1.679 53.468 52.037 -0.413 0.000 0.620 526 A CB -0.533 17.918 19.000 -0.915 0.000 0.819 526 A HN 0.495 nan 8.150 nan 0.000 0.442 527 L N -0.667 120.472 121.223 -0.140 0.000 2.083 527 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 527 L C 2.589 179.462 176.870 0.004 0.000 1.083 527 L CA 1.737 56.545 54.840 -0.052 0.000 0.752 527 L CB -0.441 41.564 42.059 -0.091 0.000 0.899 527 L HN 0.372 nan 8.230 nan 0.000 0.433 528 K N -0.188 120.209 120.400 -0.006 0.000 2.057 528 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 528 K C 2.063 178.692 176.600 0.048 0.000 1.049 528 K CA 1.429 57.725 56.287 0.015 0.000 0.931 528 K CB -0.141 32.363 32.500 0.007 0.000 0.714 528 K HN 0.294 nan 8.250 nan 0.000 0.440 529 E N 0.947 121.193 120.200 0.076 0.000 2.077 529 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 529 E C 2.010 178.695 176.600 0.141 0.000 0.989 529 E CA 0.840 57.313 56.400 0.122 0.000 0.800 529 E CB 0.048 29.869 29.700 0.202 0.000 0.746 529 E HN 0.099 nan 8.360 nan 0.000 0.452 530 L N 1.014 122.354 121.223 0.194 0.000 2.141 530 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 530 L C 2.269 179.197 176.870 0.096 0.000 1.094 530 L CA 2.061 57.005 54.840 0.173 0.000 0.763 530 L CB -0.495 41.710 42.059 0.243 0.000 0.908 530 L HN 0.136 nan 8.230 nan 0.000 0.437 531 S N -1.345 114.399 115.700 0.072 0.000 2.595 531 S HA -0.023 4.447 4.470 -0.000 0.000 0.235 531 S C 1.473 176.093 174.600 0.033 0.000 0.974 531 S CA 0.614 58.841 58.200 0.046 0.000 0.942 531 S CB -0.933 62.285 63.200 0.031 0.000 0.766 531 S HN 0.518 nan 8.310 nan 0.000 0.536 532 I N 1.041 121.633 120.570 0.037 0.000 3.812 532 I HA 0.243 4.412 4.170 -0.000 0.000 0.319 532 I C 0.729 176.854 176.117 0.013 0.000 1.353 532 I CA -0.159 61.155 61.300 0.023 0.000 1.170 532 I CB -0.154 37.862 38.000 0.026 0.000 1.057 532 I HN 0.110 nan 8.210 nan 0.000 0.411 533 R N 0.259 120.767 120.500 0.014 0.000 2.832 533 R HA 0.564 4.904 4.340 -0.000 0.000 0.271 533 R C 0.462 176.755 176.300 -0.013 0.000 0.996 533 R CA -0.745 55.353 56.100 -0.002 0.000 0.977 533 R CB 1.354 31.655 30.300 0.002 0.000 1.168 533 R HN 0.109 nan 8.270 nan 0.000 0.482 540 V N 0.829 120.800 119.914 0.095 0.000 3.647 540 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 540 V C 1.761 177.828 176.094 -0.046 0.000 1.314 540 V CA 1.193 63.487 62.300 -0.009 0.000 1.125 540 V CB 0.087 31.902 31.823 -0.014 0.000 0.907 540 V HN 0.371 nan 8.190 nan 0.000 0.434 541 E N 2.069 122.294 120.200 0.042 0.000 2.077 541 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 541 E C 1.902 178.519 176.600 0.028 0.000 0.989 541 E CA 2.262 58.682 56.400 0.032 0.000 0.800 541 E CB -0.595 29.140 29.700 0.058 0.000 0.746 541 E HN 0.935 nan 8.360 nan 0.000 0.452 542 Y N -0.640 119.634 120.300 -0.043 0.000 2.373 542 Y HA 0.049 4.599 4.550 -0.000 0.000 0.293 542 Y C 1.755 177.612 175.900 -0.073 0.000 1.129 542 Y CA 0.732 58.796 58.100 -0.060 0.000 1.226 542 Y CB -0.413 38.007 38.460 -0.068 0.000 1.000 542 Y HN -0.035 nan 8.280 nan 0.000 0.549 543 L N 0.458 121.169 121.223 -0.853 0.000 2.027 543 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 543 L C 2.521 179.176 176.870 -0.359 0.000 1.074 543 L CA 1.407 55.803 54.840 -0.741 0.000 0.745 543 L CB -0.515 41.175 42.059 -0.616 0.000 0.898 543 L HN 0.302 nan 8.230 nan 0.000 0.433 544 I N -0.205 120.226 120.570 -0.232 0.000 2.208 544 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 544 I C 2.535 178.594 176.117 -0.096 0.000 1.097 544 I CA 1.456 62.676 61.300 -0.134 0.000 1.363 544 I CB -0.355 37.597 38.000 -0.079 0.000 1.051 544 I HN 0.247 nan 8.210 nan 0.000 0.413 545 K N 0.758 121.112 120.400 -0.077 0.000 2.057 545 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 545 K C 2.146 178.739 176.600 -0.012 0.000 1.050 545 K CA 1.201 57.473 56.287 -0.025 0.000 0.935 545 K CB -0.205 32.296 32.500 0.000 0.000 0.715 545 K HN 0.284 nan 8.250 nan 0.000 0.439 546 L N 1.001 122.185 121.223 -0.065 0.000 2.042 546 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 546 L C 2.327 179.160 176.870 -0.062 0.000 1.076 546 L CA 1.179 56.018 54.840 -0.002 0.000 0.749 546 L CB -0.491 41.501 42.059 -0.111 0.000 0.893 546 L HN 0.183 nan 8.230 nan 0.000 0.432 547 L N -0.620 120.465 121.223 -0.230 0.000 2.201 547 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 547 L C 1.691 178.581 176.870 0.033 0.000 1.105 547 L CA 1.027 55.719 54.840 -0.246 0.000 0.775 547 L CB -0.315 41.619 42.059 -0.208 0.000 0.913 547 L HN 0.307 nan 8.230 nan 0.000 0.440 548 E N -0.301 119.918 120.200 0.032 0.000 2.419 548 E HA 0.035 4.385 4.350 -0.000 0.000 0.190 548 E C 0.481 177.139 176.600 0.097 0.000 1.040 548 E CA -0.130 56.308 56.400 0.062 0.000 0.900 548 E CB 0.247 29.964 29.700 0.027 0.000 1.054 548 E HN 0.416 nan 8.360 nan 0.000 0.462 549 T N -1.608 113.043 114.554 0.162 0.000 2.904 549 T HA 0.113 4.463 4.350 -0.000 0.000 0.290 549 T C 1.086 175.879 174.700 0.154 0.000 1.018 549 T CA -0.631 61.588 62.100 0.197 0.000 1.075 549 T CB 2.095 71.186 68.868 0.371 0.000 0.986 549 T HN -0.127 nan 8.240 nan 0.000 0.523 550 E N 0.934 121.203 120.200 0.114 0.000 2.051 550 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 550 E C 1.530 178.138 176.600 0.014 0.000 0.991 550 E CA 1.704 58.137 56.400 0.055 0.000 0.799 550 E CB -0.445 29.283 29.700 0.048 0.000 0.748 550 E HN 0.728 nan 8.360 nan 0.000 0.449 551 D N -0.427 119.989 120.400 0.027 0.000 2.104 551 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 551 D C 1.781 177.921 176.300 -0.266 0.000 0.994 551 D CA 1.128 55.049 54.000 -0.131 0.000 0.830 551 D CB -0.508 40.181 40.800 -0.186 0.000 0.959 551 D HN 0.242 nan 8.370 nan 0.000 0.452 552 F N 1.757 121.476 119.950 -0.385 0.000 2.102 552 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 552 F C 2.314 177.984 175.800 -0.217 0.000 1.105 552 F CA 1.383 59.155 58.000 -0.380 0.000 1.239 552 F CB -0.117 38.737 39.000 -0.242 0.000 0.991 552 F HN -0.099 nan 8.300 nan 0.000 0.474 553 E N -0.276 119.883 120.200 -0.068 0.000 2.085 553 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 553 E C 1.496 177.967 176.600 -0.215 0.000 0.994 553 E CA 1.514 57.836 56.400 -0.131 0.000 0.801 553 E CB -0.199 29.482 29.700 -0.031 0.000 0.743 553 E HN 0.433 nan 8.360 nan 0.000 0.453 554 D N 0.055 120.347 120.400 -0.180 0.000 2.349 554 D HA -0.055 4.585 4.640 -0.000 0.000 0.224 554 D C 0.120 176.288 176.300 -0.221 0.000 1.029 554 D CA 0.247 54.147 54.000 -0.167 0.000 0.879 554 D CB -0.035 40.701 40.800 -0.106 0.000 0.906 554 D HN 0.033 nan 8.370 nan 0.000 0.528 555 N N 0.464 118.962 118.700 -0.336 0.000 2.758 555 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 555 N C 0.192 175.545 175.510 -0.262 0.000 1.076 555 N CA 1.083 53.908 53.050 -0.376 0.000 0.696 555 N CB -1.531 36.753 38.487 -0.339 0.000 0.979 555 N HN 0.272 nan 8.380 nan 0.000 0.550 556 T N -2.810 111.591 114.554 -0.254 0.000 3.134 556 T HA 0.356 4.706 4.350 -0.000 0.000 0.260 556 T C 1.086 175.649 174.700 -0.228 0.000 1.027 556 T CA -0.061 61.940 62.100 -0.165 0.000 0.913 556 T CB -0.323 68.483 68.868 -0.104 0.000 1.046 556 T HN 0.345 nan 8.240 nan 0.000 0.553 557 I N 1.070 121.410 120.570 -0.382 0.000 3.269 557 I HA 0.710 4.880 4.170 -0.000 0.000 0.287 557 I C 0.353 176.396 176.117 -0.122 0.000 1.152 557 I CA -0.513 60.508 61.300 -0.465 0.000 1.263 557 I CB 0.030 37.611 38.000 -0.698 0.000 1.439 557 I HN 0.279 nan 8.210 nan 0.000 0.637 558 T N -2.451 112.125 114.554 0.036 0.000 2.754 558 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 558 T C 0.719 175.489 174.700 0.116 0.000 1.205 558 T CA -0.059 62.089 62.100 0.080 0.000 1.009 558 T CB 0.660 69.581 68.868 0.088 0.000 1.368 558 T HN 0.863 nan 8.240 nan 0.000 0.509 559 T N -2.123 112.440 114.554 0.016 0.000 3.007 559 T HA 0.168 4.518 4.350 -0.000 0.000 0.270 559 T C 1.844 176.552 174.700 0.015 0.000 1.107 559 T CA 1.118 63.176 62.100 -0.069 0.000 1.118 559 T CB -0.706 67.970 68.868 -0.319 0.000 0.889 559 T HN 0.998 nan 8.240 nan 0.000 0.506 560 G N -0.882 107.961 108.800 0.072 0.000 3.020 560 G HA2 0.161 4.121 3.960 -0.000 0.000 0.217 560 G HA3 0.161 4.121 3.960 -0.000 0.000 0.217 560 G C 0.943 175.918 174.900 0.126 0.000 1.144 560 G CA -0.202 44.938 45.100 0.068 0.000 0.760 560 G HN 0.450 nan 8.290 nan 0.000 0.548 561 W N 1.377 122.678 121.300 0.002 0.000 2.298 561 W HA -0.197 4.463 4.660 -0.000 0.000 0.328 561 W C 2.042 178.571 176.519 0.017 0.000 1.259 561 W CA 1.775 59.132 57.345 0.020 0.000 1.251 561 W CB -0.618 28.869 29.460 0.045 0.000 1.161 561 W HN 0.154 nan 8.180 nan 0.000 0.466 562 L N 1.205 122.362 121.223 -0.111 0.000 2.083 562 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 562 L C 1.933 178.657 176.870 -0.244 0.000 1.083 562 L CA 2.457 57.080 54.840 -0.362 0.000 0.752 562 L CB -1.119 40.868 42.059 -0.121 0.000 0.899 562 L HN -0.026 nan 8.230 nan 0.000 0.433 563 D N -0.499 119.823 120.400 -0.130 0.000 2.183 563 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 563 D C 1.610 177.842 176.300 -0.115 0.000 0.969 563 D CA 1.198 55.130 54.000 -0.115 0.000 0.842 563 D CB -0.075 40.671 40.800 -0.090 0.000 0.957 563 D HN 0.444 nan 8.370 nan 0.000 0.484 564 D N 0.452 120.787 120.400 -0.108 0.000 2.183 564 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 564 D C 2.355 178.577 176.300 -0.130 0.000 0.969 564 D CA 0.229 54.178 54.000 -0.085 0.000 0.842 564 D CB 0.026 40.809 40.800 -0.028 0.000 0.957 564 D HN 0.259 nan 8.370 nan 0.000 0.484 565 L N 0.568 121.650 121.223 -0.236 0.000 2.093 565 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 565 L C 1.534 178.302 176.870 -0.170 0.000 1.085 565 L CA 0.473 55.165 54.840 -0.246 0.000 0.755 565 L CB -0.190 41.617 42.059 -0.421 0.000 0.904 565 L HN -0.053 nan 8.230 nan 0.000 0.435 566 I N 0.000 120.471 120.570 -0.166 0.000 2.984 566 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 566 I CA 0.000 61.223 61.300 -0.129 0.000 1.566 566 I CB 0.000 37.921 38.000 -0.132 0.000 1.214 566 I HN 0.000 nan 8.210 nan 0.000 0.494