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 2jj2_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.266 176.300 -0.057 0.000 2.045 24 D CA 0.000 53.979 54.000 -0.035 0.000 0.868 24 D CB 0.000 40.781 40.800 -0.032 0.000 0.688 25 L N 2.392 123.573 121.223 -0.070 0.000 2.653 25 L HA 0.285 4.624 4.340 -0.001 0.000 0.232 25 L C 1.544 178.351 176.870 -0.105 0.000 1.169 25 L CA 0.291 55.060 54.840 -0.119 0.000 0.951 25 L CB 0.189 42.154 42.059 -0.157 0.000 1.181 25 L HN 0.356 nan 8.230 nan 0.000 0.460 26 E N -0.417 119.740 120.200 -0.072 0.000 2.256 26 E HA -0.016 4.333 4.350 -0.001 0.000 0.198 26 E C 1.341 177.906 176.600 -0.059 0.000 0.908 26 E CA 0.212 56.577 56.400 -0.059 0.000 0.915 26 E CB 0.525 30.199 29.700 -0.042 0.000 0.890 26 E HN 0.293 nan 8.360 nan 0.000 0.484 27 E N 0.446 120.612 120.200 -0.058 0.000 2.431 27 E HA 0.032 4.381 4.350 -0.001 0.000 0.200 27 E C 0.862 177.420 176.600 -0.070 0.000 0.995 27 E CA 0.548 56.914 56.400 -0.058 0.000 0.915 27 E CB 1.014 30.686 29.700 -0.047 0.000 0.930 27 E HN 0.212 nan 8.360 nan 0.000 0.496 28 T N -2.260 112.250 114.554 -0.074 0.000 2.888 28 T HA 0.777 5.126 4.350 -0.001 0.000 0.288 28 T C 0.210 174.851 174.700 -0.099 0.000 1.063 28 T CA -0.456 61.595 62.100 -0.081 0.000 1.010 28 T CB 2.572 71.403 68.868 -0.062 0.000 1.214 28 T HN 0.006 nan 8.240 nan 0.000 0.533 29 G N 0.069 108.814 108.800 -0.093 0.000 2.649 29 G HA2 0.669 4.629 3.960 -0.001 0.000 0.290 29 G HA3 0.669 4.629 3.960 -0.001 0.000 0.290 29 G C -1.782 173.099 174.900 -0.032 0.000 1.426 29 G CA -1.212 43.829 45.100 -0.098 0.000 0.794 29 G HN 0.848 nan 8.290 nan 0.000 0.483 30 R N -0.887 119.624 120.500 0.019 0.000 2.803 30 R HA 0.628 4.968 4.340 -0.001 0.000 0.276 30 R C -0.821 175.550 176.300 0.119 0.000 0.978 30 R CA -0.832 55.316 56.100 0.080 0.000 0.939 30 R CB 2.602 32.965 30.300 0.104 0.000 1.179 30 R HN 0.297 nan 8.270 nan 0.000 0.472 31 V N 4.202 124.195 119.914 0.131 0.000 2.470 31 V HA 0.030 4.150 4.120 -0.001 0.000 0.276 31 V C 1.254 177.410 176.094 0.104 0.000 1.040 31 V CA 0.158 62.544 62.300 0.143 0.000 1.008 31 V CB 0.648 32.571 31.823 0.166 0.000 0.990 31 V HN 0.679 nan 8.190 nan 0.000 0.477 32 L N 3.845 125.127 121.223 0.097 0.000 2.049 32 L HA 0.097 4.436 4.340 -0.001 0.000 0.203 32 L C 1.028 177.923 176.870 0.042 0.000 1.074 32 L CA 1.087 55.963 54.840 0.060 0.000 0.749 32 L CB -0.055 42.034 42.059 0.051 0.000 0.907 32 L HN 0.814 nan 8.230 nan 0.000 0.439 33 S N -1.081 114.647 115.700 0.047 0.000 2.541 33 S HA 0.657 5.126 4.470 -0.001 0.000 0.271 33 S C -1.023 173.596 174.600 0.030 0.000 1.133 33 S CA -0.762 57.455 58.200 0.029 0.000 0.876 33 S CB 2.674 65.885 63.200 0.019 0.000 1.105 33 S HN 0.051 nan 8.310 nan 0.000 0.470 34 I N 0.877 121.452 120.570 0.009 0.000 2.571 34 I HA 0.861 5.030 4.170 -0.001 0.000 0.289 34 I C -0.433 175.671 176.117 -0.020 0.000 1.115 34 I CA 0.334 61.628 61.300 -0.010 0.000 1.045 34 I CB 1.573 39.549 38.000 -0.040 0.000 1.238 34 I HN 1.281 nan 8.210 nan 0.000 0.424 35 G N 4.274 113.061 108.800 -0.023 0.000 2.616 35 G HA2 0.417 4.377 3.960 -0.001 0.000 0.294 35 G HA3 0.417 4.377 3.960 -0.001 0.000 0.294 35 G C -1.331 173.553 174.900 -0.026 0.000 1.489 35 G CA -0.464 44.621 45.100 -0.025 0.000 0.836 35 G HN 0.681 nan 8.290 nan 0.000 0.527 36 D N -0.405 119.977 120.400 -0.029 0.000 2.708 36 D HA -0.176 4.463 4.640 -0.001 0.000 0.236 36 D C 1.601 177.882 176.300 -0.030 0.000 1.146 36 D CA 2.646 56.628 54.000 -0.029 0.000 0.662 36 D CB -1.230 39.553 40.800 -0.030 0.000 1.059 36 D HN 2.244 nan 8.370 nan 0.000 0.428 37 G N -0.922 107.859 108.800 -0.032 0.000 2.155 37 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.257 37 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.257 37 G C 0.179 175.079 174.900 -0.001 0.000 0.983 37 G CA 0.370 45.456 45.100 -0.024 0.000 0.676 37 G HN 0.512 nan 8.290 nan 0.000 0.528 38 I N 0.772 121.340 120.570 -0.002 0.000 2.410 38 I HA 0.651 4.821 4.170 -0.001 0.000 0.286 38 I C 0.425 176.564 176.117 0.037 0.000 1.009 38 I CA -1.032 60.284 61.300 0.026 0.000 1.111 38 I CB 1.230 39.236 38.000 0.010 0.000 1.262 38 I HN 0.290 nan 8.210 nan 0.000 0.443 39 A N 7.586 130.462 122.820 0.094 0.000 2.260 39 A HA 0.663 4.982 4.320 -0.001 0.000 0.314 39 A C -0.006 177.661 177.584 0.137 0.000 1.257 39 A CA -0.703 51.412 52.037 0.130 0.000 0.871 39 A CB 0.625 19.785 19.000 0.267 0.000 1.166 39 A HN 0.543 nan 8.150 nan 0.000 0.522 40 R N 2.023 122.583 120.500 0.099 0.000 2.216 40 R HA 0.408 4.747 4.340 -0.001 0.000 0.332 40 R C -0.905 175.461 176.300 0.109 0.000 1.056 40 R CA -0.279 55.874 56.100 0.088 0.000 0.901 40 R CB 0.814 31.149 30.300 0.059 0.000 1.039 40 R HN 0.426 nan 8.270 nan 0.000 0.456 41 V N 3.800 123.778 119.914 0.108 0.000 2.459 41 V HA 0.147 4.267 4.120 -0.001 0.000 0.295 41 V C -0.032 176.131 176.094 0.115 0.000 1.029 41 V CA -0.963 61.401 62.300 0.108 0.000 0.874 41 V CB 1.470 33.334 31.823 0.068 0.000 0.985 41 V HN 0.678 nan 8.190 nan 0.000 0.438 42 H N 3.294 122.379 119.070 0.025 0.000 2.548 42 H HA 0.669 5.224 4.556 -0.002 0.000 0.331 42 H C 0.508 175.839 175.328 0.005 0.000 1.093 42 H CA 1.063 57.119 56.048 0.014 0.000 1.367 42 H CB 1.056 30.827 29.762 0.015 0.000 1.455 42 H HN 1.057 nan 8.280 nan 0.000 0.519 43 G N 3.289 111.823 108.800 -0.444 0.000 2.496 43 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.243 43 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.243 43 G C -0.111 174.689 174.900 -0.166 0.000 1.176 43 G CA -0.377 44.482 45.100 -0.402 0.000 0.940 43 G HN 1.245 nan 8.290 nan 0.000 0.573 44 L N -0.282 120.856 121.223 -0.141 0.000 3.762 44 L HA -0.214 4.126 4.340 -0.001 0.000 0.460 44 L C 2.128 178.957 176.870 -0.069 0.000 1.255 44 L CA 0.715 55.499 54.840 -0.094 0.000 0.783 44 L CB -0.710 41.299 42.059 -0.084 0.000 1.600 44 L HN 0.621 nan 8.230 nan 0.000 0.862 45 R N -0.018 120.440 120.500 -0.070 0.000 2.193 45 R HA -0.036 4.303 4.340 -0.001 0.000 0.229 45 R C 1.435 177.715 176.300 -0.033 0.000 1.110 45 R CA 1.084 57.157 56.100 -0.045 0.000 0.988 45 R CB -0.365 29.910 30.300 -0.042 0.000 0.871 45 R HN 0.575 nan 8.270 nan 0.000 0.458 46 N N 0.356 119.033 118.700 -0.039 0.000 2.280 46 N HA 0.007 4.746 4.740 -0.001 0.000 0.192 46 N C 0.115 175.607 175.510 -0.031 0.000 1.109 46 N CA 0.062 53.094 53.050 -0.031 0.000 0.855 46 N CB 0.469 38.937 38.487 -0.032 0.000 0.974 46 N HN 0.003 nan 8.380 nan 0.000 0.482 47 V N 0.102 119.994 119.914 -0.037 0.000 2.901 47 V HA 0.027 4.147 4.120 -0.001 0.000 0.307 47 V C 0.495 176.576 176.094 -0.021 0.000 1.084 47 V CA -0.401 61.878 62.300 -0.035 0.000 1.184 47 V CB 0.262 32.060 31.823 -0.041 0.000 0.941 47 V HN 0.073 nan 8.190 nan 0.000 0.493 48 Q N 2.156 121.945 119.800 -0.019 0.000 2.227 48 Q HA 0.659 4.999 4.340 -0.001 0.000 0.245 48 Q C 0.265 176.266 176.000 0.001 0.000 0.926 48 Q CA -0.450 55.348 55.803 -0.007 0.000 0.895 48 Q CB 1.588 30.320 28.738 -0.009 0.000 1.230 48 Q HN 1.111 nan 8.270 nan 0.000 0.450 49 A N 2.152 124.980 122.820 0.012 0.000 2.548 49 A HA -0.006 4.314 4.320 -0.001 0.000 0.247 49 A C 0.086 177.688 177.584 0.029 0.000 1.067 49 A CA 0.434 52.487 52.037 0.026 0.000 0.757 49 A CB -0.370 18.651 19.000 0.034 0.000 0.996 49 A HN 0.960 nan 8.150 nan 0.000 0.504 50 E N -0.401 119.824 120.200 0.042 0.000 3.547 50 E HA -0.189 4.160 4.350 -0.001 0.000 0.309 50 E C 0.084 176.702 176.600 0.030 0.000 0.855 50 E CA 1.103 57.536 56.400 0.055 0.000 1.122 50 E CB -1.520 28.213 29.700 0.055 0.000 1.569 50 E HN 0.934 nan 8.360 nan 0.000 0.429 51 E N 0.752 120.955 120.200 0.006 0.000 2.331 51 E HA 0.180 4.529 4.350 -0.001 0.000 0.272 51 E C 0.035 176.603 176.600 -0.052 0.000 1.036 51 E CA -0.450 55.935 56.400 -0.026 0.000 0.864 51 E CB 0.621 30.299 29.700 -0.035 0.000 1.035 51 E HN -0.012 nan 8.360 nan 0.000 0.408 52 M N 5.204 124.751 119.600 -0.088 0.000 2.266 52 M HA 0.100 4.580 4.480 -0.001 0.000 0.340 52 M C -0.233 175.967 176.300 -0.166 0.000 1.486 52 M CA -0.162 55.043 55.300 -0.159 0.000 1.209 52 M CB 0.001 32.487 32.600 -0.191 0.000 1.714 52 M HN 0.385 nan 8.290 nan 0.000 0.459 53 V N 1.682 121.478 119.914 -0.197 0.000 3.234 53 V HA 0.656 4.776 4.120 -0.001 0.000 0.317 53 V C -0.281 175.632 176.094 -0.301 0.000 1.081 53 V CA -0.796 61.356 62.300 -0.245 0.000 1.037 53 V CB 1.968 33.617 31.823 -0.290 0.000 1.148 53 V HN 0.843 nan 8.190 nan 0.000 0.453 54 E N 0.198 120.204 120.200 -0.324 0.000 2.246 54 E HA 0.489 4.839 4.350 -0.001 0.000 0.266 54 E C -1.667 174.760 176.600 -0.288 0.000 0.880 54 E CA -0.690 55.569 56.400 -0.236 0.000 0.762 54 E CB 1.715 31.350 29.700 -0.108 0.000 1.180 54 E HN 0.621 nan 8.360 nan 0.000 0.416 55 F N 1.363 121.307 119.950 -0.011 0.000 2.380 55 F HA 0.067 4.593 4.527 -0.003 0.000 0.325 55 F C 2.072 177.873 175.800 0.000 0.000 1.136 55 F CA 0.038 58.038 58.000 0.001 0.000 1.171 55 F CB 1.190 40.199 39.000 0.014 0.000 1.230 55 F HN 0.579 nan 8.300 nan 0.000 0.554 56 S N -0.915 114.903 115.700 0.198 0.000 2.442 56 S HA -0.179 4.291 4.470 -0.001 0.000 0.236 56 S C 1.682 176.337 174.600 0.092 0.000 1.007 56 S CA 1.099 59.361 58.200 0.104 0.000 0.965 56 S CB -0.863 62.387 63.200 0.084 0.000 0.773 56 S HN 0.673 nan 8.310 nan 0.000 0.504 57 S N 0.189 115.958 115.700 0.116 0.000 2.527 57 S HA 0.467 4.936 4.470 -0.001 0.000 0.222 57 S C 1.650 176.296 174.600 0.077 0.000 0.985 57 S CA 0.440 58.685 58.200 0.077 0.000 0.921 57 S CB -0.355 62.878 63.200 0.055 0.000 0.772 57 S HN 1.396 nan 8.310 nan 0.000 0.529 58 G N 0.639 109.502 108.800 0.105 0.000 2.184 58 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.206 58 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.206 58 G C -0.073 174.891 174.900 0.107 0.000 0.995 58 G CA -0.144 45.006 45.100 0.083 0.000 0.651 58 G HN 0.466 nan 8.290 nan 0.000 0.511 59 L N 1.166 122.486 121.223 0.161 0.000 2.456 59 L HA 0.364 4.703 4.340 -0.001 0.000 0.272 59 L C 0.768 177.812 176.870 0.289 0.000 1.189 59 L CA -0.362 54.597 54.840 0.200 0.000 0.846 59 L CB 0.534 42.684 42.059 0.153 0.000 1.111 59 L HN -0.035 nan 8.230 nan 0.000 0.475 60 K N 1.749 122.256 120.400 0.179 0.000 2.098 60 K HA 0.716 5.036 4.320 -0.001 0.000 0.244 60 K C 0.101 176.787 176.600 0.142 0.000 1.014 60 K CA -0.494 55.798 56.287 0.009 0.000 0.917 60 K CB 1.364 33.696 32.500 -0.281 0.000 1.072 60 K HN 0.750 nan 8.250 nan 0.000 0.477 61 G N -0.334 108.417 108.800 -0.082 0.000 2.677 61 G HA2 0.585 4.544 3.960 -0.001 0.000 0.291 61 G HA3 0.585 4.544 3.960 -0.001 0.000 0.291 61 G C -1.634 173.241 174.900 -0.042 0.000 1.435 61 G CA -0.704 44.494 45.100 0.162 0.000 0.826 61 G HN 0.406 nan 8.290 nan 0.000 0.491 62 M N 1.057 120.800 119.600 0.238 0.000 2.321 62 M HA 0.504 4.984 4.480 -0.001 0.000 0.315 62 M C -0.339 176.052 176.300 0.151 0.000 1.052 62 M CA -0.532 54.879 55.300 0.186 0.000 0.936 62 M CB 1.835 34.670 32.600 0.392 0.000 1.639 62 M HN 0.325 nan 8.290 nan 0.000 0.433 63 S N 5.857 121.602 115.700 0.074 0.000 3.072 63 S HA 0.238 4.708 4.470 -0.001 0.000 0.306 63 S C 0.984 175.625 174.600 0.068 0.000 1.207 63 S CA -0.395 57.837 58.200 0.055 0.000 1.008 63 S CB -0.295 62.912 63.200 0.013 0.000 1.390 63 S HN 0.733 nan 8.310 nan 0.000 0.523 64 L N 1.537 122.809 121.223 0.081 0.000 2.202 64 L HA 0.141 4.481 4.340 -0.001 0.000 0.205 64 L C 0.211 177.112 176.870 0.052 0.000 1.083 64 L CA 0.640 55.524 54.840 0.073 0.000 0.790 64 L CB -0.024 42.074 42.059 0.065 0.000 0.942 64 L HN 0.370 nan 8.230 nan 0.000 0.452 65 N N 0.473 119.198 118.700 0.042 0.000 2.444 65 N HA 0.403 5.142 4.740 -0.001 0.000 0.262 65 N C -1.093 174.436 175.510 0.032 0.000 0.974 65 N CA -0.098 52.972 53.050 0.033 0.000 0.933 65 N CB 1.343 39.844 38.487 0.023 0.000 1.137 65 N HN -0.010 nan 8.380 nan 0.000 0.498 66 L N 1.969 123.209 121.223 0.029 0.000 2.276 66 L HA 0.457 4.796 4.340 -0.001 0.000 0.286 66 L C 0.300 177.184 176.870 0.023 0.000 1.024 66 L CA -0.443 54.411 54.840 0.024 0.000 0.826 66 L CB 0.863 42.934 42.059 0.019 0.000 1.211 66 L HN 0.369 nan 8.230 nan 0.000 0.422 67 E N 3.344 123.558 120.200 0.025 0.000 2.249 67 E HA 0.336 4.686 4.350 -0.001 0.000 0.263 67 E C -1.694 174.922 176.600 0.026 0.000 0.950 67 E CA -1.752 54.663 56.400 0.024 0.000 0.827 67 E CB 1.749 31.463 29.700 0.025 0.000 1.220 67 E HN 0.275 nan 8.360 nan 0.000 0.411 68 P HA -0.200 nan 4.420 nan 0.000 0.216 68 P C 0.307 177.630 177.300 0.038 0.000 1.157 68 P CA 1.521 64.637 63.100 0.026 0.000 0.880 68 P CB 0.128 31.840 31.700 0.021 0.000 0.791 69 D N -2.709 117.717 120.400 0.044 0.000 2.469 69 D HA 0.077 4.716 4.640 -0.001 0.000 0.215 69 D C -0.040 176.316 176.300 0.093 0.000 1.154 69 D CA -0.383 53.657 54.000 0.067 0.000 0.832 69 D CB -0.864 39.961 40.800 0.041 0.000 1.008 69 D HN 0.356 nan 8.370 nan 0.000 0.506 70 N N -1.554 117.189 118.700 0.072 0.000 2.859 70 N HA 0.387 5.127 4.740 -0.001 0.000 0.250 70 N C -1.912 173.629 175.510 0.051 0.000 1.341 70 N CA -0.999 52.096 53.050 0.076 0.000 0.881 70 N CB 1.599 40.127 38.487 0.070 0.000 1.516 70 N HN -0.204 nan 8.380 nan 0.000 0.503 71 V N 0.337 120.280 119.914 0.049 0.000 2.370 71 V HA 0.704 4.823 4.120 -0.001 0.000 0.283 71 V C 0.793 176.920 176.094 0.054 0.000 1.023 71 V CA -0.584 61.739 62.300 0.037 0.000 0.857 71 V CB 1.080 32.913 31.823 0.017 0.000 0.985 71 V HN 0.874 nan 8.190 nan 0.000 0.443 72 G N 4.238 113.068 108.800 0.050 0.000 2.391 72 G HA2 0.470 4.429 3.960 -0.001 0.000 0.305 72 G HA3 0.470 4.429 3.960 -0.001 0.000 0.305 72 G C -0.500 174.447 174.900 0.079 0.000 1.072 72 G CA -0.135 45.001 45.100 0.059 0.000 1.016 72 G HN 0.527 nan 8.290 nan 0.000 0.418 73 V N 3.398 123.384 119.914 0.121 0.000 2.427 73 V HA 0.264 4.383 4.120 -0.001 0.000 0.286 73 V C 0.233 176.454 176.094 0.212 0.000 1.034 73 V CA -0.826 61.579 62.300 0.176 0.000 0.893 73 V CB 1.782 33.744 31.823 0.232 0.000 0.982 73 V HN 0.408 nan 8.190 nan 0.000 0.452 74 V N 6.430 126.481 119.914 0.228 0.000 2.406 74 V HA 0.305 4.424 4.120 -0.001 0.000 0.272 74 V C 0.018 176.328 176.094 0.360 0.000 1.043 74 V CA -0.124 62.305 62.300 0.215 0.000 0.915 74 V CB 1.841 33.759 31.823 0.158 0.000 0.988 74 V HN 0.667 nan 8.190 nan 0.000 0.466 75 V N 7.765 127.823 119.914 0.241 0.000 2.488 75 V HA 0.259 4.379 4.120 -0.001 0.000 0.277 75 V C 0.076 176.336 176.094 0.276 0.000 1.046 75 V CA -0.174 62.285 62.300 0.265 0.000 0.986 75 V CB 0.951 32.787 31.823 0.021 0.000 0.989 75 V HN 0.731 nan 8.190 nan 0.000 0.475 76 F N 4.637 124.650 119.950 0.104 0.000 2.660 76 F HA 0.645 5.171 4.527 -0.002 0.000 0.342 76 F C 1.032 176.865 175.800 0.055 0.000 1.195 76 F CA 0.117 58.169 58.000 0.088 0.000 1.300 76 F CB 0.153 39.217 39.000 0.106 0.000 1.616 76 F HN 0.732 nan 8.300 nan 0.000 0.592 77 G N 0.208 109.084 108.800 0.128 0.000 2.345 77 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.285 77 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.285 77 G C -1.517 173.392 174.900 0.014 0.000 1.297 77 G CA -1.194 43.947 45.100 0.069 0.000 0.875 77 G HN 0.057 nan 8.290 nan 0.000 0.506 78 N N 0.282 118.983 118.700 0.001 0.000 2.513 78 N HA 0.180 4.920 4.740 -0.001 0.000 0.268 78 N C 0.513 175.992 175.510 -0.053 0.000 1.180 78 N CA -0.178 52.859 53.050 -0.020 0.000 0.948 78 N CB 1.359 39.839 38.487 -0.012 0.000 1.083 78 N HN 0.408 nan 8.380 nan 0.000 0.455 79 D N 2.352 122.715 120.400 -0.061 0.000 2.219 79 D HA -0.161 4.479 4.640 -0.001 0.000 0.205 79 D C 1.511 177.762 176.300 -0.082 0.000 0.970 79 D CA 1.098 55.044 54.000 -0.090 0.000 0.851 79 D CB 0.149 40.907 40.800 -0.070 0.000 0.943 79 D HN 0.722 nan 8.370 nan 0.000 0.488 80 K N 0.647 121.016 120.400 -0.052 0.000 2.218 80 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 80 K C 1.797 178.372 176.600 -0.042 0.000 1.046 80 K CA 1.008 57.272 56.287 -0.039 0.000 0.933 80 K CB -0.450 32.036 32.500 -0.023 0.000 0.728 80 K HN 0.174 nan 8.250 nan 0.000 0.454 81 L N 0.895 122.086 121.223 -0.054 0.000 2.610 81 L HA 0.198 4.538 4.340 -0.001 0.000 0.232 81 L C 0.456 177.282 176.870 -0.073 0.000 1.149 81 L CA 0.064 54.875 54.840 -0.048 0.000 0.872 81 L CB -0.172 41.866 42.059 -0.035 0.000 0.992 81 L HN 0.176 nan 8.230 nan 0.000 0.447 82 I N -0.200 120.299 120.570 -0.118 0.000 2.436 82 I HA 0.290 4.459 4.170 -0.001 0.000 0.289 82 I C -0.270 175.804 176.117 -0.072 0.000 1.010 82 I CA -0.436 60.779 61.300 -0.141 0.000 1.098 82 I CB 1.726 39.513 38.000 -0.356 0.000 1.266 82 I HN -0.082 nan 8.210 nan 0.000 0.434 83 K N 4.298 124.685 120.400 -0.021 0.000 2.350 83 K HA 0.380 4.699 4.320 -0.001 0.000 0.241 83 K C -0.545 176.069 176.600 0.023 0.000 0.994 83 K CA -0.971 55.315 56.287 -0.001 0.000 0.839 83 K CB 2.259 34.763 32.500 0.007 0.000 1.244 83 K HN 0.563 nan 8.250 nan 0.000 0.443 84 E N 0.257 120.470 120.200 0.022 0.000 2.529 84 E HA -0.054 4.296 4.350 -0.001 0.000 0.259 84 E C 0.460 177.086 176.600 0.044 0.000 0.966 84 E CA 1.181 57.602 56.400 0.035 0.000 0.937 84 E CB 0.086 29.800 29.700 0.023 0.000 0.923 84 E HN 0.783 nan 8.360 nan 0.000 0.468 85 G N 3.923 112.759 108.800 0.060 0.000 2.159 85 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.256 85 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.256 85 G C -0.269 174.672 174.900 0.069 0.000 0.977 85 G CA 0.202 45.339 45.100 0.062 0.000 0.652 85 G HN 0.649 nan 8.290 nan 0.000 0.531 86 D N 0.253 120.706 120.400 0.087 0.000 2.382 86 D HA 0.468 5.107 4.640 -0.001 0.000 0.245 86 D C 0.979 177.347 176.300 0.113 0.000 1.120 86 D CA -0.136 53.927 54.000 0.104 0.000 0.890 86 D CB 0.741 41.622 40.800 0.135 0.000 1.201 86 D HN 0.243 nan 8.370 nan 0.000 0.433 87 I N 1.526 122.145 120.570 0.083 0.000 2.471 87 I HA 0.089 4.258 4.170 -0.001 0.000 0.286 87 I C 0.015 176.147 176.117 0.025 0.000 1.079 87 I CA -0.267 61.059 61.300 0.043 0.000 1.398 87 I CB 0.725 38.737 38.000 0.021 0.000 1.403 87 I HN -0.038 nan 8.210 nan 0.000 0.530 88 V N 6.620 126.507 119.914 -0.045 0.000 2.459 88 V HA 0.469 4.588 4.120 -0.001 0.000 0.295 88 V C -0.002 175.991 176.094 -0.167 0.000 1.029 88 V CA -0.961 61.222 62.300 -0.195 0.000 0.874 88 V CB 1.377 33.011 31.823 -0.314 0.000 0.985 88 V HN 0.609 nan 8.190 nan 0.000 0.438 89 K N 3.929 124.219 120.400 -0.182 0.000 2.270 89 K HA 0.594 4.913 4.320 -0.001 0.000 0.255 89 K C -0.496 176.017 176.600 -0.145 0.000 0.936 89 K CA -0.857 55.352 56.287 -0.130 0.000 0.809 89 K CB 2.458 34.904 32.500 -0.089 0.000 1.131 89 K HN 0.572 nan 8.250 nan 0.000 0.427 90 R N 0.787 121.217 120.500 -0.115 0.000 2.537 90 R HA 0.029 4.368 4.340 -0.001 0.000 0.280 90 R C 0.661 176.910 176.300 -0.085 0.000 1.058 90 R CA 0.274 56.314 56.100 -0.100 0.000 1.057 90 R CB 0.174 30.427 30.300 -0.078 0.000 0.973 90 R HN 0.735 nan 8.270 nan 0.000 0.438 91 T N -1.774 112.730 114.554 -0.082 0.000 3.044 91 T HA 0.193 4.543 4.350 -0.001 0.000 0.260 91 T C 1.231 175.899 174.700 -0.054 0.000 1.019 91 T CA 0.068 62.128 62.100 -0.067 0.000 0.921 91 T CB 0.805 69.630 68.868 -0.072 0.000 1.053 91 T HN 0.830 nan 8.240 nan 0.000 0.533 92 G N 1.720 110.488 108.800 -0.053 0.000 2.160 92 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.251 92 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.251 92 G C 0.328 175.201 174.900 -0.045 0.000 1.008 92 G CA -0.082 44.992 45.100 -0.044 0.000 0.724 92 G HN 1.115 nan 8.290 nan 0.000 0.514 93 A N -0.347 122.439 122.820 -0.057 0.000 2.366 93 A HA 0.735 5.055 4.320 -0.001 0.000 0.249 93 A C 0.445 177.997 177.584 -0.055 0.000 1.084 93 A CA 0.334 52.334 52.037 -0.061 0.000 0.794 93 A CB 0.718 19.668 19.000 -0.083 0.000 1.034 93 A HN 1.431 nan 8.150 nan 0.000 0.491 94 I N 1.803 122.342 120.570 -0.050 0.000 2.610 94 I HA 0.295 4.464 4.170 -0.001 0.000 0.289 94 I C -0.840 175.253 176.117 -0.040 0.000 1.163 94 I CA -0.553 60.723 61.300 -0.041 0.000 1.044 94 I CB 1.855 39.836 38.000 -0.031 0.000 1.251 94 I HN 0.331 nan 8.210 nan 0.000 0.424 95 V N 7.330 127.223 119.914 -0.036 0.000 2.324 95 V HA 0.156 4.276 4.120 -0.001 0.000 0.244 95 V C 0.022 176.105 176.094 -0.018 0.000 1.144 95 V CA -0.096 62.189 62.300 -0.025 0.000 1.158 95 V CB -1.133 30.683 31.823 -0.012 0.000 1.254 95 V HN 0.736 nan 8.190 nan 0.000 0.492 96 D N 3.349 123.739 120.400 -0.016 0.000 2.523 96 D HA 0.660 5.299 4.640 -0.001 0.000 0.236 96 D C -0.503 175.791 176.300 -0.011 0.000 1.094 96 D CA -0.681 53.310 54.000 -0.015 0.000 0.942 96 D CB 2.488 43.275 40.800 -0.022 0.000 1.447 96 D HN 0.286 nan 8.370 nan 0.000 0.479 97 V N -3.805 116.100 119.914 -0.015 0.000 2.769 97 V HA 0.671 4.791 4.120 -0.001 0.000 0.312 97 V C -2.717 173.351 176.094 -0.044 0.000 1.061 97 V CA -2.333 59.957 62.300 -0.016 0.000 0.931 97 V CB 1.492 33.314 31.823 -0.002 0.000 1.010 97 V HN 0.504 nan 8.190 nan 0.000 0.433 98 P HA 0.164 nan 4.420 nan 0.000 0.266 98 P C -0.663 176.562 177.300 -0.124 0.000 1.193 98 P CA 0.307 63.359 63.100 -0.080 0.000 0.770 98 P CB 0.944 32.608 31.700 -0.059 0.000 0.836 99 V N 1.807 121.593 119.914 -0.213 0.000 2.932 99 V HA 0.805 4.925 4.120 -0.001 0.000 0.307 99 V C 0.298 176.011 176.094 -0.635 0.000 1.147 99 V CA 0.464 62.545 62.300 -0.365 0.000 0.951 99 V CB 1.961 33.595 31.823 -0.315 0.000 1.031 99 V HN 1.077 nan 8.190 nan 0.000 0.426 100 G N 3.474 111.764 108.800 -0.851 0.000 2.347 100 G HA2 0.028 3.987 3.960 -0.001 0.000 0.341 100 G HA3 0.028 3.987 3.960 -0.001 0.000 0.341 100 G C -0.068 174.644 174.900 -0.312 0.000 1.287 100 G CA -0.056 44.451 45.100 -0.987 0.000 0.984 100 G HN 0.611 nan 8.290 nan 0.000 0.526 101 E N 0.372 120.538 120.200 -0.056 0.000 2.427 101 E HA -0.057 4.293 4.350 -0.001 0.000 0.196 101 E C 1.854 178.526 176.600 0.119 0.000 1.028 101 E CA 1.047 57.562 56.400 0.192 0.000 0.864 101 E CB 0.111 29.961 29.700 0.250 0.000 0.813 101 E HN 0.634 nan 8.360 nan 0.000 0.514 102 E N 0.934 121.149 120.200 0.026 0.000 2.427 102 E HA -0.102 4.248 4.350 -0.001 0.000 0.196 102 E C 1.828 178.445 176.600 0.028 0.000 1.028 102 E CA 0.378 56.792 56.400 0.023 0.000 0.864 102 E CB -0.189 29.505 29.700 -0.010 0.000 0.813 102 E HN 0.336 nan 8.360 nan 0.000 0.514 103 L N 0.648 121.891 121.223 0.033 0.000 2.395 103 L HA 0.096 4.435 4.340 -0.001 0.000 0.218 103 L C 1.187 178.116 176.870 0.098 0.000 1.130 103 L CA 0.068 54.939 54.840 0.052 0.000 0.826 103 L CB -0.176 41.908 42.059 0.041 0.000 0.941 103 L HN 0.016 nan 8.230 nan 0.000 0.451 104 L N 0.390 121.697 121.223 0.141 0.000 2.455 104 L HA 0.141 4.481 4.340 -0.001 0.000 0.272 104 L C 1.382 178.304 176.870 0.087 0.000 1.174 104 L CA 0.644 55.576 54.840 0.154 0.000 0.869 104 L CB 0.249 42.439 42.059 0.219 0.000 1.130 104 L HN 0.327 nan 8.230 nan 0.000 0.474 105 G N 1.852 110.682 108.800 0.050 0.000 2.179 105 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.260 105 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.260 105 G C 0.246 175.154 174.900 0.013 0.000 0.977 105 G CA -0.369 44.736 45.100 0.009 0.000 0.641 105 G HN 0.467 nan 8.290 nan 0.000 0.533 106 R N -0.254 120.265 120.500 0.032 0.000 2.604 106 R HA 0.671 5.011 4.340 -0.001 0.000 0.287 106 R C -0.190 176.131 176.300 0.035 0.000 0.970 106 R CA -0.771 55.346 56.100 0.029 0.000 0.946 106 R CB 1.751 32.071 30.300 0.032 0.000 1.127 106 R HN 0.222 nan 8.270 nan 0.000 0.473 107 V N 2.827 122.760 119.914 0.030 0.000 2.370 107 V HA 0.401 4.520 4.120 -0.001 0.000 0.283 107 V C 0.372 176.490 176.094 0.040 0.000 1.023 107 V CA -0.787 61.537 62.300 0.040 0.000 0.857 107 V CB 1.287 33.130 31.823 0.033 0.000 0.985 107 V HN 0.597 nan 8.190 nan 0.000 0.443 108 V N 1.302 121.245 119.914 0.048 0.000 3.046 108 V HA 0.809 4.929 4.120 -0.001 0.000 0.316 108 V C -0.319 175.805 176.094 0.050 0.000 1.104 108 V CA -0.818 61.509 62.300 0.045 0.000 1.006 108 V CB 2.131 33.978 31.823 0.040 0.000 1.058 108 V HN 0.786 nan 8.190 nan 0.000 0.440 109 D N 2.047 122.476 120.400 0.049 0.000 2.478 109 D HA 0.440 5.079 4.640 -0.001 0.000 0.274 109 D C 1.285 177.619 176.300 0.057 0.000 1.234 109 D CA 0.074 54.107 54.000 0.054 0.000 1.069 109 D CB 1.050 41.884 40.800 0.057 0.000 1.113 109 D HN 0.849 nan 8.370 nan 0.000 0.571 110 A N -0.771 122.086 122.820 0.062 0.000 2.024 110 A HA -0.075 4.244 4.320 -0.001 0.000 0.220 110 A C 2.217 179.847 177.584 0.076 0.000 1.164 110 A CA 1.119 53.195 52.037 0.064 0.000 0.643 110 A CB -0.756 18.283 19.000 0.065 0.000 0.806 110 A HN 0.523 nan 8.150 nan 0.000 0.451 111 L N -2.143 119.130 121.223 0.083 0.000 2.640 111 L HA 0.300 4.639 4.340 -0.001 0.000 0.230 111 L C 1.512 178.410 176.870 0.046 0.000 1.123 111 L CA 0.496 55.383 54.840 0.078 0.000 0.900 111 L CB 0.271 42.390 42.059 0.100 0.000 1.146 111 L HN 0.536 nan 8.230 nan 0.000 0.484 112 G N -0.136 108.689 108.800 0.041 0.000 2.159 112 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.227 112 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.227 112 G C 0.000 174.914 174.900 0.022 0.000 0.986 112 G CA -0.453 44.662 45.100 0.025 0.000 0.651 112 G HN 0.328 nan 8.290 nan 0.000 0.523 113 N N 1.078 119.797 118.700 0.032 0.000 2.530 113 N HA 0.507 5.247 4.740 -0.001 0.000 0.273 113 N C 0.670 176.197 175.510 0.028 0.000 1.173 113 N CA 0.594 53.661 53.050 0.028 0.000 0.967 113 N CB 1.301 39.809 38.487 0.035 0.000 1.109 113 N HN 0.703 nan 8.380 nan 0.000 0.453 114 A N 1.815 124.648 122.820 0.022 0.000 2.511 114 A HA 0.231 4.550 4.320 -0.001 0.000 0.242 114 A C 1.267 178.866 177.584 0.025 0.000 1.069 114 A CA -0.091 51.959 52.037 0.022 0.000 0.763 114 A CB -0.430 18.580 19.000 0.017 0.000 1.001 114 A HN 0.824 nan 8.150 nan 0.000 0.498 115 I N -1.131 119.455 120.570 0.026 0.000 4.442 115 I HA 0.223 4.392 4.170 -0.001 0.000 0.331 115 I C 0.490 176.620 176.117 0.021 0.000 1.364 115 I CA 0.115 61.431 61.300 0.026 0.000 1.207 115 I CB 0.457 38.476 38.000 0.032 0.000 1.298 115 I HN 0.465 nan 8.210 nan 0.000 0.463 116 D N 1.761 122.172 120.400 0.018 0.000 2.347 116 D HA 0.087 4.727 4.640 -0.001 0.000 0.213 116 D C 1.686 177.992 176.300 0.010 0.000 0.985 116 D CA 0.806 54.814 54.000 0.013 0.000 0.879 116 D CB -0.223 40.583 40.800 0.010 0.000 0.919 116 D HN 0.451 nan 8.370 nan 0.000 0.526 117 G N 0.701 109.508 108.800 0.011 0.000 2.198 117 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.257 117 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.257 117 G C 0.416 175.320 174.900 0.008 0.000 1.042 117 G CA 0.308 45.414 45.100 0.010 0.000 0.791 117 G HN 0.460 nan 8.290 nan 0.000 0.502 118 K N 0.131 120.536 120.400 0.008 0.000 2.681 118 K HA 0.496 4.816 4.320 -0.001 0.000 0.211 118 K C 1.326 177.930 176.600 0.007 0.000 1.075 118 K CA 0.248 56.539 56.287 0.007 0.000 1.141 118 K CB 0.497 33.001 32.500 0.006 0.000 0.896 118 K HN 1.463 nan 8.250 nan 0.000 0.470 119 G N 2.651 111.455 108.800 0.008 0.000 2.760 119 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.246 119 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.246 119 G C -2.649 172.256 174.900 0.007 0.000 1.359 119 G CA -1.188 43.916 45.100 0.007 0.000 0.861 119 G HN 0.123 nan 8.290 nan 0.000 0.541 120 P HA 0.391 nan 4.420 nan 0.000 0.269 120 P C 0.455 177.756 177.300 0.001 0.000 1.209 120 P CA -0.297 62.804 63.100 0.003 0.000 0.776 120 P CB 0.427 32.127 31.700 0.000 0.000 0.876 121 I N 1.696 122.265 120.570 -0.001 0.000 2.648 121 I HA 0.012 4.181 4.170 -0.001 0.000 0.284 121 I C 1.816 177.925 176.117 -0.013 0.000 1.153 121 I CA 0.442 61.739 61.300 -0.006 0.000 1.426 121 I CB -0.108 37.885 38.000 -0.012 0.000 1.381 121 I HN 0.538 nan 8.210 nan 0.000 0.571 122 G N 4.075 112.867 108.800 -0.014 0.000 3.379 122 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.253 122 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.253 122 G C 0.710 175.590 174.900 -0.033 0.000 1.262 122 G CA -0.151 44.940 45.100 -0.017 0.000 0.959 122 G HN 0.613 nan 8.290 nan 0.000 0.524 123 S N -0.323 115.348 115.700 -0.048 0.000 2.546 123 S HA 0.106 4.575 4.470 -0.001 0.000 0.290 123 S C 1.365 175.921 174.600 -0.074 0.000 1.290 123 S CA 0.183 58.335 58.200 -0.080 0.000 1.069 123 S CB 0.701 63.848 63.200 -0.089 0.000 0.846 123 S HN 0.467 nan 8.310 nan 0.000 0.495 124 K N 2.293 122.637 120.400 -0.093 0.000 2.367 124 K HA 0.321 4.640 4.320 -0.001 0.000 0.195 124 K C 0.245 176.799 176.600 -0.077 0.000 1.060 124 K CA 0.197 56.444 56.287 -0.068 0.000 1.022 124 K CB 0.706 33.178 32.500 -0.047 0.000 0.894 124 K HN 0.638 nan 8.250 nan 0.000 0.540 125 A N 1.219 123.963 122.820 -0.128 0.000 2.413 125 A HA 0.701 5.020 4.320 -0.001 0.000 0.307 125 A C -0.993 176.510 177.584 -0.136 0.000 1.087 125 A CA -0.746 51.219 52.037 -0.120 0.000 0.750 125 A CB 1.305 20.227 19.000 -0.130 0.000 1.296 125 A HN 0.063 nan 8.150 nan 0.000 0.423 126 R N -0.060 120.387 120.500 -0.088 0.000 2.795 126 R HA 0.742 5.082 4.340 -0.001 0.000 0.275 126 R C -0.775 175.494 176.300 -0.052 0.000 0.981 126 R CA -0.809 55.246 56.100 -0.076 0.000 0.917 126 R CB 2.708 32.977 30.300 -0.052 0.000 1.202 126 R HN 0.779 nan 8.270 nan 0.000 0.469 127 R N 1.090 121.563 120.500 -0.045 0.000 2.651 127 R HA 0.339 4.679 4.340 -0.001 0.000 0.278 127 R C -0.827 175.464 176.300 -0.015 0.000 1.010 127 R CA -0.800 55.288 56.100 -0.021 0.000 0.896 127 R CB 1.742 32.035 30.300 -0.011 0.000 1.211 127 R HN 0.545 nan 8.270 nan 0.000 0.456 128 R N 1.556 122.051 120.500 -0.010 0.000 2.698 128 R HA -0.015 4.324 4.340 -0.001 0.000 0.266 128 R C 1.452 177.748 176.300 -0.006 0.000 1.026 128 R CA 0.291 56.383 56.100 -0.012 0.000 1.102 128 R CB 0.643 30.934 30.300 -0.014 0.000 0.978 128 R HN 0.574 nan 8.270 nan 0.000 0.436 129 V N 0.416 120.323 119.914 -0.012 0.000 2.649 129 V HA 0.121 4.241 4.120 -0.001 0.000 0.248 129 V C 0.893 176.966 176.094 -0.035 0.000 1.054 129 V CA 1.343 63.644 62.300 0.000 0.000 1.073 129 V CB -0.166 31.659 31.823 0.003 0.000 0.699 129 V HN 0.716 nan 8.190 nan 0.000 0.463 130 G N 1.285 110.031 108.800 -0.089 0.000 2.428 130 G HA2 0.655 4.615 3.960 -0.001 0.000 0.320 130 G HA3 0.655 4.615 3.960 -0.001 0.000 0.320 130 G C -1.071 173.791 174.900 -0.064 0.000 1.098 130 G CA -0.381 44.638 45.100 -0.136 0.000 0.984 130 G HN 0.365 nan 8.290 nan 0.000 0.444 131 L N 1.458 122.659 121.223 -0.036 0.000 2.434 131 L HA 0.450 4.790 4.340 -0.001 0.000 0.260 131 L C 0.141 177.011 176.870 0.000 0.000 0.983 131 L CA -1.110 53.724 54.840 -0.010 0.000 0.820 131 L CB 2.816 44.879 42.059 0.006 0.000 1.361 131 L HN 0.302 nan 8.230 nan 0.000 0.410 132 K N 1.357 121.761 120.400 0.007 0.000 2.436 132 K HA 0.381 4.700 4.320 -0.001 0.000 0.275 132 K C -0.024 176.584 176.600 0.013 0.000 0.999 132 K CA -0.187 56.110 56.287 0.015 0.000 0.980 132 K CB 1.199 33.712 32.500 0.021 0.000 0.919 132 K HN 0.677 nan 8.250 nan 0.000 0.484 133 A N 4.864 127.693 122.820 0.015 0.000 2.425 133 A HA 0.241 4.561 4.320 -0.001 0.000 0.242 133 A C -2.080 175.494 177.584 -0.017 0.000 1.077 133 A CA -1.144 50.895 52.037 0.004 0.000 0.781 133 A CB -0.437 18.569 19.000 0.009 0.000 1.020 133 A HN 0.454 nan 8.150 nan 0.000 0.494 134 P HA 0.097 nan 4.420 nan 0.000 0.261 134 P C 0.782 178.033 177.300 -0.081 0.000 1.173 134 P CA 0.963 64.005 63.100 -0.096 0.000 0.760 134 P CB 0.272 31.891 31.700 -0.135 0.000 0.783 135 G N 1.819 110.565 108.800 -0.089 0.000 2.529 135 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.277 135 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.277 135 G C 1.009 175.867 174.900 -0.071 0.000 1.383 135 G CA -0.445 44.619 45.100 -0.059 0.000 1.050 135 G HN 0.477 nan 8.290 nan 0.000 0.526 136 I N -0.431 120.112 120.570 -0.044 0.000 2.439 136 I HA -0.066 4.104 4.170 -0.001 0.000 0.251 136 I C 2.287 178.372 176.117 -0.053 0.000 1.139 136 I CA 0.678 61.955 61.300 -0.037 0.000 1.438 136 I CB 0.087 38.079 38.000 -0.014 0.000 1.085 136 I HN 0.285 nan 8.210 nan 0.000 0.427 137 I N 0.909 121.441 120.570 -0.063 0.000 2.400 137 I HA -0.020 4.149 4.170 -0.001 0.000 0.248 137 I C -0.468 175.584 176.117 -0.109 0.000 1.109 137 I CA 0.876 62.145 61.300 -0.052 0.000 1.425 137 I CB -2.754 35.242 38.000 -0.007 0.000 1.094 137 I HN 0.164 nan 8.210 nan 0.000 0.425 138 P HA -0.042 nan 4.420 nan 0.000 0.242 138 P C 0.135 177.236 177.300 -0.331 0.000 1.198 138 P CA 0.853 63.583 63.100 -0.615 0.000 0.756 138 P CB -0.039 30.966 31.700 -1.158 0.000 0.911 139 R N -0.627 119.776 120.500 -0.162 0.000 2.787 139 R HA 0.674 5.014 4.340 -0.001 0.000 0.271 139 R C -0.510 175.771 176.300 -0.031 0.000 0.993 139 R CA -0.961 55.087 56.100 -0.087 0.000 0.993 139 R CB 1.392 31.649 30.300 -0.071 0.000 1.155 139 R HN -0.084 nan 8.270 nan 0.000 0.486 140 I N -0.477 120.087 120.570 -0.011 0.000 2.892 140 I HA 0.256 4.425 4.170 -0.001 0.000 0.306 140 I C -0.360 175.758 176.117 0.001 0.000 1.078 140 I CA -0.278 61.024 61.300 0.003 0.000 1.032 140 I CB 2.401 40.411 38.000 0.017 0.000 1.229 140 I HN 0.554 nan 8.210 nan 0.000 0.435 141 S N 2.272 117.973 115.700 0.002 0.000 2.553 141 S HA 0.092 4.562 4.470 -0.001 0.000 0.293 141 S C -0.338 174.262 174.600 0.001 0.000 1.296 141 S CA -0.444 57.757 58.200 0.001 0.000 1.046 141 S CB 0.161 63.361 63.200 0.001 0.000 0.810 141 S HN 0.393 nan 8.310 nan 0.000 0.505 142 V N 4.355 124.267 119.914 -0.002 0.000 2.521 142 V HA 0.168 4.288 4.120 -0.001 0.000 0.286 142 V C 1.102 177.189 176.094 -0.012 0.000 1.034 142 V CA 0.594 62.891 62.300 -0.005 0.000 1.045 142 V CB 0.660 32.478 31.823 -0.008 0.000 0.974 142 V HN 0.842 nan 8.190 nan 0.000 0.480 143 R N 1.894 122.383 120.500 -0.019 0.000 2.562 143 R HA 0.211 4.551 4.340 -0.001 0.000 0.191 143 R C 0.080 176.351 176.300 -0.049 0.000 0.835 143 R CA -0.309 55.776 56.100 -0.026 0.000 1.036 143 R CB 0.546 30.836 30.300 -0.018 0.000 1.437 143 R HN 0.662 nan 8.270 nan 0.000 0.654 144 E N 3.187 123.347 120.200 -0.067 0.000 2.290 144 E HA 0.144 4.493 4.350 -0.001 0.000 0.277 144 E C -2.486 174.034 176.600 -0.133 0.000 1.035 144 E CA -2.043 54.285 56.400 -0.120 0.000 0.873 144 E CB 0.744 30.337 29.700 -0.177 0.000 1.029 144 E HN -0.077 nan 8.360 nan 0.000 0.419 145 P HA -0.068 nan 4.420 nan 0.000 0.265 145 P C -0.648 176.547 177.300 -0.176 0.000 1.193 145 P CA 0.316 63.334 63.100 -0.135 0.000 0.765 145 P CB 0.421 32.040 31.700 -0.135 0.000 0.823 146 M N 4.039 123.568 119.600 -0.119 0.000 2.047 146 M HA 0.157 4.636 4.480 -0.001 0.000 0.342 146 M C -0.774 175.493 176.300 -0.056 0.000 1.058 146 M CA -0.383 54.853 55.300 -0.107 0.000 0.991 146 M CB 0.639 33.197 32.600 -0.071 0.000 1.474 146 M HN 0.296 nan 8.290 nan 0.000 0.419 147 Q N 3.093 122.872 119.800 -0.036 0.000 2.322 147 Q HA 0.239 4.578 4.340 -0.001 0.000 0.256 147 Q C 1.154 177.215 176.000 0.102 0.000 0.960 147 Q CA 0.029 55.868 55.803 0.059 0.000 0.934 147 Q CB 1.102 29.941 28.738 0.168 0.000 1.200 147 Q HN 0.790 nan 8.270 nan 0.000 0.435 148 T N -1.742 112.846 114.554 0.058 0.000 3.054 148 T HA 0.104 4.454 4.350 -0.001 0.000 0.259 148 T C 1.278 176.002 174.700 0.041 0.000 1.092 148 T CA 0.632 62.759 62.100 0.045 0.000 1.121 148 T CB 0.121 69.002 68.868 0.022 0.000 0.912 148 T HN 0.804 nan 8.240 nan 0.000 0.489 149 G N 1.507 110.334 108.800 0.044 0.000 2.184 149 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.264 149 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.264 149 G C 0.024 174.930 174.900 0.010 0.000 0.975 149 G CA 0.244 45.357 45.100 0.022 0.000 0.642 149 G HN 0.671 nan 8.290 nan 0.000 0.536 150 I N 0.698 121.275 120.570 0.012 0.000 2.304 150 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 150 I C 1.559 177.683 176.117 0.011 0.000 1.018 150 I CA -0.752 60.551 61.300 0.005 0.000 1.260 150 I CB 1.344 39.344 38.000 0.001 0.000 1.390 150 I HN -0.016 nan 8.210 nan 0.000 0.475 151 K N 4.350 124.757 120.400 0.011 0.000 2.020 151 K HA -0.239 4.081 4.320 -0.001 0.000 0.212 151 K C 2.121 178.731 176.600 0.018 0.000 1.050 151 K CA 1.891 58.188 56.287 0.017 0.000 0.929 151 K CB -0.205 32.306 32.500 0.020 0.000 0.714 151 K HN 0.807 nan 8.250 nan 0.000 0.443 152 A N 0.962 123.792 122.820 0.016 0.000 1.917 152 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 152 A C 2.399 179.996 177.584 0.022 0.000 1.182 152 A CA 1.879 53.929 52.037 0.021 0.000 0.633 152 A CB -0.710 18.304 19.000 0.023 0.000 0.819 152 A HN 0.101 nan 8.150 nan 0.000 0.448 153 V N 0.299 120.223 119.914 0.017 0.000 2.273 153 V HA -0.163 3.956 4.120 -0.001 0.000 0.242 153 V C 2.091 178.192 176.094 0.012 0.000 1.035 153 V CA 1.974 64.282 62.300 0.013 0.000 1.013 153 V CB -0.899 30.928 31.823 0.007 0.000 0.652 153 V HN 0.465 nan 8.190 nan 0.000 0.452 154 D N 0.722 121.130 120.400 0.014 0.000 2.221 154 D HA -0.129 4.510 4.640 -0.001 0.000 0.204 154 D C 2.376 178.684 176.300 0.014 0.000 0.982 154 D CA 1.801 55.809 54.000 0.013 0.000 0.857 154 D CB -0.122 40.690 40.800 0.020 0.000 0.934 154 D HN 0.617 nan 8.370 nan 0.000 0.475 155 S N -0.571 115.139 115.700 0.017 0.000 2.387 155 S HA 0.053 4.523 4.470 -0.001 0.000 0.221 155 S C 1.967 176.578 174.600 0.018 0.000 1.041 155 S CA 0.213 58.424 58.200 0.019 0.000 0.959 155 S CB -0.180 63.033 63.200 0.021 0.000 0.843 155 S HN 0.202 nan 8.310 nan 0.000 0.488 156 L N 0.819 122.054 121.223 0.021 0.000 2.642 156 L HA 0.394 4.733 4.340 -0.001 0.000 0.233 156 L C -0.199 176.687 176.870 0.026 0.000 1.077 156 L CA 0.030 54.885 54.840 0.025 0.000 0.879 156 L CB 0.997 43.075 42.059 0.031 0.000 1.151 156 L HN 0.182 nan 8.230 nan 0.000 0.495 157 V N 0.260 120.187 119.914 0.021 0.000 2.562 157 V HA 0.259 4.378 4.120 -0.001 0.000 0.274 157 V C -2.475 173.622 176.094 0.004 0.000 1.075 157 V CA -1.263 61.046 62.300 0.016 0.000 1.204 157 V CB -0.014 31.819 31.823 0.016 0.000 1.478 157 V HN -0.006 nan 8.190 nan 0.000 0.622 158 P HA 0.328 nan 4.420 nan 0.000 0.271 158 P C -0.389 176.904 177.300 -0.013 0.000 1.216 158 P CA 0.284 63.381 63.100 -0.004 0.000 0.771 158 P CB 1.561 33.258 31.700 -0.004 0.000 0.864 159 I N 1.863 122.422 120.570 -0.019 0.000 2.412 159 I HA 0.515 4.685 4.170 -0.001 0.000 0.296 159 I C 1.017 177.112 176.117 -0.037 0.000 0.987 159 I CA -0.594 60.690 61.300 -0.026 0.000 1.180 159 I CB 2.002 39.986 38.000 -0.026 0.000 1.340 159 I HN 0.332 nan 8.210 nan 0.000 0.455 160 G N 4.202 112.981 108.800 -0.036 0.000 2.454 160 G HA2 0.565 4.525 3.960 -0.001 0.000 0.329 160 G HA3 0.565 4.525 3.960 -0.001 0.000 0.329 160 G C -0.626 174.249 174.900 -0.041 0.000 1.177 160 G CA -0.865 44.208 45.100 -0.045 0.000 0.951 160 G HN 0.535 nan 8.290 nan 0.000 0.485 161 R N -0.068 120.401 120.500 -0.052 0.000 2.404 161 R HA 0.411 4.750 4.340 -0.001 0.000 0.315 161 R C 1.265 177.574 176.300 0.014 0.000 1.032 161 R CA 1.521 57.607 56.100 -0.023 0.000 0.992 161 R CB 0.617 30.886 30.300 -0.053 0.000 0.959 161 R HN 1.084 nan 8.270 nan 0.000 0.428 162 G N 1.880 110.693 108.800 0.021 0.000 2.238 162 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.217 162 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.217 162 G C 0.189 175.091 174.900 0.003 0.000 0.996 162 G CA -0.199 44.912 45.100 0.019 0.000 0.632 162 G HN 0.572 nan 8.290 nan 0.000 0.503 163 Q N 0.448 120.244 119.800 -0.007 0.000 2.421 163 Q HA 0.561 4.900 4.340 -0.001 0.000 0.255 163 Q C -0.066 175.923 176.000 -0.018 0.000 1.013 163 Q CA -0.022 55.772 55.803 -0.014 0.000 0.895 163 Q CB 0.311 29.037 28.738 -0.020 0.000 1.271 163 Q HN 0.347 nan 8.270 nan 0.000 0.460 164 R N 2.375 122.862 120.500 -0.021 0.000 2.288 164 R HA 0.317 4.657 4.340 -0.001 0.000 0.326 164 R C -1.351 174.923 176.300 -0.043 0.000 0.959 164 R CA -0.544 55.538 56.100 -0.029 0.000 0.834 164 R CB 1.483 31.770 30.300 -0.022 0.000 1.157 164 R HN 0.445 nan 8.270 nan 0.000 0.470 165 E N 2.520 122.687 120.200 -0.055 0.000 2.199 165 E HA 0.326 4.676 4.350 -0.001 0.000 0.265 165 E C -1.448 175.097 176.600 -0.092 0.000 0.882 165 E CA -0.958 55.400 56.400 -0.070 0.000 0.759 165 E CB 1.041 30.705 29.700 -0.060 0.000 1.148 165 E HN 0.344 nan 8.360 nan 0.000 0.412 166 L N 5.763 126.911 121.223 -0.125 0.000 2.305 166 L HA 0.493 4.832 4.340 -0.001 0.000 0.281 166 L C -0.990 175.772 176.870 -0.180 0.000 1.085 166 L CA -0.045 54.704 54.840 -0.151 0.000 0.813 166 L CB 0.586 42.538 42.059 -0.180 0.000 1.157 166 L HN 0.657 nan 8.230 nan 0.000 0.436 167 I N 6.979 127.468 120.570 -0.134 0.000 2.315 167 I HA 0.420 4.589 4.170 -0.001 0.000 0.291 167 I C -0.248 175.801 176.117 -0.113 0.000 1.006 167 I CA -0.144 61.086 61.300 -0.117 0.000 1.265 167 I CB 1.181 39.144 38.000 -0.063 0.000 1.387 167 I HN 0.602 nan 8.210 nan 0.000 0.475 168 I N 5.288 125.782 120.570 -0.126 0.000 2.722 168 I HA 0.876 5.046 4.170 -0.001 0.000 0.295 168 I C -0.578 175.549 176.117 0.017 0.000 1.161 168 I CA -0.020 61.236 61.300 -0.073 0.000 1.032 168 I CB 2.144 40.069 38.000 -0.124 0.000 1.244 168 I HN 0.680 nan 8.210 nan 0.000 0.421 169 G N 4.762 113.589 108.800 0.046 0.000 2.328 169 G HA2 0.207 4.166 3.960 -0.001 0.000 0.295 169 G HA3 0.207 4.166 3.960 -0.001 0.000 0.295 169 G C -1.892 173.036 174.900 0.047 0.000 1.413 169 G CA -0.763 44.380 45.100 0.072 0.000 0.817 169 G HN 0.534 nan 8.290 nan 0.000 0.546 170 D N 0.120 120.547 120.400 0.045 0.000 2.349 170 D HA 0.269 4.908 4.640 -0.001 0.000 0.239 170 D C 1.284 177.587 176.300 0.004 0.000 1.315 170 D CA 0.001 54.020 54.000 0.031 0.000 0.937 170 D CB 0.378 41.200 40.800 0.036 0.000 1.133 170 D HN 0.690 nan 8.370 nan 0.000 0.489 171 R N -0.180 120.323 120.500 0.004 0.000 2.698 171 R HA 0.017 4.356 4.340 -0.001 0.000 0.266 171 R C -0.249 176.017 176.300 -0.056 0.000 1.026 171 R CA -0.068 56.025 56.100 -0.012 0.000 1.102 171 R CB -0.139 30.163 30.300 0.004 0.000 0.978 171 R HN 0.339 nan 8.270 nan 0.000 0.436 172 Q N -0.467 119.286 119.800 -0.078 0.000 2.475 172 Q HA -0.185 4.154 4.340 -0.001 0.000 0.280 172 Q C 0.186 175.991 176.000 -0.325 0.000 1.234 172 Q CA 1.411 57.120 55.803 -0.156 0.000 0.873 172 Q CB -1.720 26.944 28.738 -0.123 0.000 1.256 172 Q HN 0.992 nan 8.270 nan 0.000 0.475 173 T N -5.119 109.289 114.554 -0.243 0.000 3.040 173 T HA 0.448 4.798 4.350 -0.001 0.000 0.250 173 T C 1.234 175.818 174.700 -0.194 0.000 1.058 173 T CA 0.468 62.389 62.100 -0.298 0.000 0.988 173 T CB 1.055 69.857 68.868 -0.109 0.000 0.993 173 T HN 0.980 nan 8.240 nan 0.000 0.519 174 G N 1.447 110.173 108.800 -0.124 0.000 2.145 174 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.145 174 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.145 174 G C 0.646 175.546 174.900 0.000 0.000 1.017 174 G CA 0.090 45.179 45.100 -0.018 0.000 0.682 174 G HN 0.455 nan 8.290 nan 0.000 0.504 175 K N -0.257 120.139 120.400 -0.006 0.000 2.001 175 K HA -0.027 4.292 4.320 -0.001 0.000 0.208 175 K C 2.539 179.157 176.600 0.030 0.000 1.048 175 K CA 1.790 58.082 56.287 0.008 0.000 0.932 175 K CB -0.288 32.214 32.500 0.003 0.000 0.715 175 K HN 0.273 nan 8.250 nan 0.000 0.437 176 T N 1.170 115.755 114.554 0.051 0.000 2.788 176 T HA -0.113 4.237 4.350 -0.001 0.000 0.268 176 T C 2.104 176.840 174.700 0.060 0.000 1.044 176 T CA 1.484 63.642 62.100 0.096 0.000 1.139 176 T CB -0.202 68.732 68.868 0.110 0.000 0.867 176 T HN 0.140 nan 8.240 nan 0.000 0.454 177 S N 1.354 117.067 115.700 0.021 0.000 2.365 177 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 177 S C 2.051 176.638 174.600 -0.021 0.000 1.039 177 S CA 0.890 59.075 58.200 -0.024 0.000 1.033 177 S CB -0.435 62.727 63.200 -0.064 0.000 0.887 177 S HN 0.338 nan 8.310 nan 0.000 0.447 178 I N 1.996 122.564 120.570 -0.003 0.000 2.194 178 I HA -0.244 3.925 4.170 -0.001 0.000 0.246 178 I C 2.667 178.795 176.117 0.018 0.000 1.093 178 I CA 1.598 62.898 61.300 0.001 0.000 1.355 178 I CB -1.768 36.234 38.000 0.002 0.000 1.046 178 I HN 0.269 nan 8.210 nan 0.000 0.413 179 A N 0.887 123.733 122.820 0.043 0.000 1.897 179 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 179 A C 2.224 179.850 177.584 0.071 0.000 1.181 179 A CA 1.034 53.116 52.037 0.075 0.000 0.620 179 A CB -0.468 18.620 19.000 0.147 0.000 0.821 179 A HN 0.254 nan 8.150 nan 0.000 0.443 180 I N 0.790 121.388 120.570 0.046 0.000 2.179 180 I HA -0.201 3.969 4.170 -0.001 0.000 0.242 180 I C 1.819 177.966 176.117 0.051 0.000 1.088 180 I CA 1.643 62.959 61.300 0.027 0.000 1.357 180 I CB -1.675 36.348 38.000 0.038 0.000 1.051 180 I HN 0.255 nan 8.210 nan 0.000 0.409 181 D N 0.603 121.023 120.400 0.032 0.000 2.149 181 D HA -0.140 4.499 4.640 -0.001 0.000 0.198 181 D C 2.207 178.530 176.300 0.039 0.000 0.990 181 D CA 1.562 55.578 54.000 0.027 0.000 0.839 181 D CB -0.287 40.501 40.800 -0.020 0.000 0.948 181 D HN 0.267 nan 8.370 nan 0.000 0.460 182 T N 0.651 115.230 114.554 0.041 0.000 2.720 182 T HA -0.113 4.236 4.350 -0.001 0.000 0.268 182 T C 2.184 176.933 174.700 0.082 0.000 1.037 182 T CA 0.739 62.871 62.100 0.053 0.000 1.144 182 T CB -0.231 68.663 68.868 0.044 0.000 0.864 182 T HN 0.177 nan 8.240 nan 0.000 0.444 183 I N 0.387 121.016 120.570 0.098 0.000 2.202 183 I HA -0.097 4.072 4.170 -0.001 0.000 0.242 183 I C 2.275 178.516 176.117 0.208 0.000 1.091 183 I CA 1.221 62.615 61.300 0.158 0.000 1.368 183 I CB -0.368 37.703 38.000 0.118 0.000 1.058 183 I HN 0.193 nan 8.210 nan 0.000 0.410 184 I N 0.861 121.506 120.570 0.126 0.000 2.264 184 I HA -0.326 3.844 4.170 -0.001 0.000 0.248 184 I C 2.258 178.428 176.117 0.088 0.000 1.111 184 I CA 1.446 62.817 61.300 0.117 0.000 1.382 184 I CB -0.504 37.545 38.000 0.081 0.000 1.060 184 I HN 0.317 nan 8.210 nan 0.000 0.418 185 N N 0.617 119.342 118.700 0.042 0.000 2.205 185 N HA -0.217 4.522 4.740 -0.001 0.000 0.186 185 N C 1.770 177.190 175.510 -0.151 0.000 1.015 185 N CA 1.200 54.224 53.050 -0.044 0.000 0.862 185 N CB 0.024 38.512 38.487 0.002 0.000 0.986 185 N HN 0.227 nan 8.380 nan 0.000 0.429 186 Q N 0.303 120.068 119.800 -0.059 0.000 2.437 186 Q HA -0.082 4.258 4.340 -0.001 0.000 0.210 186 Q C 1.649 177.412 176.000 -0.396 0.000 0.972 186 Q CA 0.563 56.278 55.803 -0.147 0.000 0.903 186 Q CB -0.186 28.431 28.738 -0.203 0.000 0.967 186 Q HN 0.519 nan 8.270 nan 0.000 0.486 187 K N 1.485 121.719 120.400 -0.276 0.000 2.063 187 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 187 K C 2.009 178.444 176.600 -0.275 0.000 1.048 187 K CA 1.356 57.532 56.287 -0.185 0.000 0.928 187 K CB 0.006 32.523 32.500 0.028 0.000 0.713 187 K HN 0.185 nan 8.250 nan 0.000 0.442 188 R N -0.122 120.116 120.500 -0.437 0.000 2.200 188 R HA -0.152 4.188 4.340 -0.001 0.000 0.234 188 R C 1.610 177.625 176.300 -0.475 0.000 1.127 188 R CA 1.601 57.400 56.100 -0.502 0.000 0.989 188 R CB -0.496 29.420 30.300 -0.640 0.000 0.869 188 R HN 0.259 nan 8.270 nan 0.000 0.459 189 F N 0.981 120.836 119.950 -0.159 0.000 2.383 189 F HA 0.190 4.717 4.527 -0.001 0.000 0.287 189 F C 1.925 177.604 175.800 -0.201 0.000 1.069 189 F CA -0.165 57.732 58.000 -0.171 0.000 1.402 189 F CB -0.238 38.647 39.000 -0.193 0.000 1.116 189 F HN -0.055 nan 8.300 nan 0.000 0.549 190 N N 0.487 119.106 118.700 -0.136 0.000 2.244 190 N HA -0.134 4.605 4.740 -0.001 0.000 0.183 190 N C 1.052 176.491 175.510 -0.118 0.000 1.016 190 N CA 1.255 54.172 53.050 -0.221 0.000 0.866 190 N CB -0.504 37.699 38.487 -0.474 0.000 0.980 190 N HN 0.203 nan 8.380 nan 0.000 0.430 191 D N 0.164 120.506 120.400 -0.096 0.000 2.269 191 D HA 0.022 4.662 4.640 -0.001 0.000 0.208 191 D C 1.331 177.608 176.300 -0.038 0.000 0.963 191 D CA 0.415 54.384 54.000 -0.052 0.000 0.864 191 D CB -0.392 40.376 40.800 -0.053 0.000 0.936 191 D HN 0.171 nan 8.370 nan 0.000 0.505 192 G N -0.198 108.581 108.800 -0.035 0.000 2.529 192 G HA2 0.222 4.182 3.960 -0.001 0.000 0.277 192 G HA3 0.222 4.182 3.960 -0.001 0.000 0.277 192 G C 0.902 175.798 174.900 -0.007 0.000 1.383 192 G CA 0.667 45.761 45.100 -0.011 0.000 1.050 192 G HN 0.222 nan 8.290 nan 0.000 0.526 193 T N -3.261 111.293 114.554 -0.000 0.000 3.058 193 T HA 0.154 4.503 4.350 -0.001 0.000 0.278 193 T C 0.132 174.833 174.700 0.002 0.000 0.974 193 T CA 0.026 62.126 62.100 0.000 0.000 0.893 193 T CB 0.465 69.333 68.868 0.000 0.000 1.138 193 T HN 0.352 nan 8.240 nan 0.000 0.529 194 D N 2.037 122.438 120.400 0.002 0.000 2.325 194 D HA 0.177 4.816 4.640 -0.001 0.000 0.251 194 D C 0.934 177.228 176.300 -0.010 0.000 1.196 194 D CA -0.132 53.865 54.000 -0.005 0.000 0.866 194 D CB 1.171 41.964 40.800 -0.012 0.000 1.101 194 D HN 0.023 nan 8.370 nan 0.000 0.476 195 E N 3.245 123.446 120.200 0.001 0.000 2.076 195 E HA -0.093 4.257 4.350 -0.001 0.000 0.190 195 E C 1.589 178.205 176.600 0.027 0.000 0.979 195 E CA 0.479 56.889 56.400 0.016 0.000 0.807 195 E CB 0.092 29.815 29.700 0.037 0.000 0.761 195 E HN 0.501 nan 8.360 nan 0.000 0.454 196 K N 1.022 121.433 120.400 0.020 0.000 2.127 196 K HA -0.168 4.151 4.320 -0.001 0.000 0.208 196 K C 1.884 178.414 176.600 -0.117 0.000 1.047 196 K CA 1.096 57.391 56.287 0.014 0.000 0.927 196 K CB -0.115 32.372 32.500 -0.022 0.000 0.716 196 K HN 0.056 nan 8.250 nan 0.000 0.450 197 K N 0.809 121.115 120.400 -0.157 0.000 2.426 197 K HA 0.022 4.341 4.320 -0.001 0.000 0.193 197 K C 0.270 176.693 176.600 -0.295 0.000 1.028 197 K CA 0.180 56.279 56.287 -0.314 0.000 1.047 197 K CB 0.307 32.620 32.500 -0.312 0.000 0.821 197 K HN 0.101 nan 8.250 nan 0.000 0.513 198 K N 1.131 121.435 120.400 -0.159 0.000 2.202 198 K HA 0.174 4.493 4.320 -0.001 0.000 0.264 198 K C -0.662 175.795 176.600 -0.238 0.000 1.010 198 K CA -0.309 55.861 56.287 -0.196 0.000 0.940 198 K CB 0.792 33.156 32.500 -0.228 0.000 0.983 198 K HN -0.158 nan 8.250 nan 0.000 0.475 199 L N 3.161 124.171 121.223 -0.354 0.000 2.482 199 L HA 0.291 4.630 4.340 -0.001 0.000 0.269 199 L C -1.610 175.022 176.870 -0.396 0.000 0.967 199 L CA -0.440 54.240 54.840 -0.266 0.000 0.851 199 L CB 0.951 42.927 42.059 -0.138 0.000 1.242 199 L HN 0.447 nan 8.230 nan 0.000 0.404 200 Y N 3.079 123.264 120.300 -0.193 0.000 2.309 200 Y HA 0.461 5.011 4.550 -0.001 0.000 0.327 200 Y C 0.463 176.329 175.900 -0.056 0.000 1.172 200 Y CA 0.007 57.969 58.100 -0.230 0.000 1.280 200 Y CB 0.975 38.966 38.460 -0.782 0.000 1.234 200 Y HN 0.503 nan 8.280 nan 0.000 0.512 201 C N 4.449 123.885 119.300 0.226 0.000 2.417 201 C HA 0.691 5.150 4.460 -0.001 0.000 0.324 201 C C -0.201 174.899 174.990 0.183 0.000 1.240 201 C CA -1.126 58.011 59.018 0.199 0.000 1.632 201 C CB 0.100 27.993 27.740 0.254 0.000 2.241 201 C HN 0.647 nan 8.230 nan 0.000 0.499 202 I N 2.678 123.333 120.570 0.140 0.000 2.468 202 I HA 0.261 4.431 4.170 -0.001 0.000 0.285 202 I C -1.096 175.077 176.117 0.095 0.000 1.039 202 I CA -0.402 60.974 61.300 0.126 0.000 1.074 202 I CB 1.073 39.140 38.000 0.112 0.000 1.228 202 I HN 0.626 nan 8.210 nan 0.000 0.436 203 Y N 7.212 127.516 120.300 0.007 0.000 2.342 203 Y HA 0.609 5.159 4.550 -0.000 0.000 0.338 203 Y C -0.843 175.062 175.900 0.009 0.000 0.965 203 Y CA -0.704 57.390 58.100 -0.011 0.000 1.159 203 Y CB 1.212 39.672 38.460 -0.001 0.000 1.157 203 Y HN 0.249 nan 8.280 nan 0.000 0.486 204 V N 6.551 126.201 119.914 -0.439 0.000 2.333 204 V HA 0.615 4.735 4.120 -0.001 0.000 0.274 204 V C -0.002 175.838 176.094 -0.423 0.000 1.028 204 V CA -0.672 61.474 62.300 -0.257 0.000 0.851 204 V CB 0.769 32.571 31.823 -0.035 0.000 1.000 204 V HN 0.919 nan 8.190 nan 0.000 0.456 205 A N 6.796 129.504 122.820 -0.187 0.000 2.252 205 A HA 0.829 5.148 4.320 -0.001 0.000 0.309 205 A C -0.634 176.940 177.584 -0.017 0.000 1.285 205 A CA -0.278 51.719 52.037 -0.067 0.000 0.900 205 A CB 0.016 19.111 19.000 0.159 0.000 1.157 205 A HN 0.732 nan 8.150 nan 0.000 0.536 206 I N 2.135 122.691 120.570 -0.023 0.000 2.382 206 I HA 0.562 4.732 4.170 -0.001 0.000 0.286 206 I C 1.139 177.271 176.117 0.025 0.000 1.002 206 I CA 0.631 61.933 61.300 0.003 0.000 1.135 206 I CB 1.751 39.745 38.000 -0.010 0.000 1.288 206 I HN 0.980 nan 8.210 nan 0.000 0.448 207 G N 3.655 112.477 108.800 0.036 0.000 2.184 207 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.264 207 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.264 207 G C 0.342 175.268 174.900 0.043 0.000 0.975 207 G CA -0.160 44.964 45.100 0.041 0.000 0.642 207 G HN 0.580 nan 8.290 nan 0.000 0.536 208 Q N 0.176 120.006 119.800 0.050 0.000 2.407 208 Q HA 0.471 4.811 4.340 -0.001 0.000 0.214 208 Q C 0.695 176.725 176.000 0.050 0.000 1.043 208 Q CA 0.080 55.917 55.803 0.057 0.000 0.983 208 Q CB 0.527 29.313 28.738 0.080 0.000 1.211 208 Q HN 0.632 nan 8.270 nan 0.000 0.564 209 K N -0.132 120.296 120.400 0.047 0.000 2.118 209 K HA 0.276 4.595 4.320 -0.001 0.000 0.267 209 K C 0.393 177.018 176.600 0.042 0.000 0.991 209 K CA -0.589 55.722 56.287 0.040 0.000 0.916 209 K CB 1.281 33.801 32.500 0.033 0.000 1.041 209 K HN 0.404 nan 8.250 nan 0.000 0.455 210 R N 0.649 121.170 120.500 0.036 0.000 2.091 210 R HA -0.177 4.163 4.340 -0.001 0.000 0.238 210 R C 2.285 178.603 176.300 0.029 0.000 1.136 210 R CA 2.283 58.403 56.100 0.034 0.000 0.959 210 R CB -0.389 29.928 30.300 0.029 0.000 0.856 210 R HN 0.943 nan 8.270 nan 0.000 0.437 211 S N -0.456 115.258 115.700 0.024 0.000 2.402 211 S HA -0.105 4.365 4.470 -0.001 0.000 0.229 211 S C 1.931 176.542 174.600 0.019 0.000 1.021 211 S CA 1.562 59.773 58.200 0.018 0.000 0.974 211 S CB -0.343 62.867 63.200 0.016 0.000 0.800 211 S HN 0.178 nan 8.310 nan 0.000 0.484 212 T N 2.241 116.811 114.554 0.028 0.000 2.746 212 T HA -0.008 4.341 4.350 -0.001 0.000 0.267 212 T C 1.861 176.579 174.700 0.030 0.000 1.039 212 T CA 1.437 63.557 62.100 0.032 0.000 1.142 212 T CB -0.498 68.398 68.868 0.046 0.000 0.866 212 T HN 0.311 nan 8.240 nan 0.000 0.444 213 V N 1.617 121.557 119.914 0.043 0.000 2.358 213 V HA -0.123 3.996 4.120 -0.001 0.000 0.246 213 V C 2.862 178.960 176.094 0.007 0.000 1.047 213 V CA 1.536 63.863 62.300 0.045 0.000 1.035 213 V CB -1.259 30.610 31.823 0.076 0.000 0.658 213 V HN 0.503 nan 8.190 nan 0.000 0.452 214 A N -0.315 122.510 122.820 0.007 0.000 1.859 214 A HA -0.303 4.016 4.320 -0.001 0.000 0.217 214 A C 2.172 179.740 177.584 -0.026 0.000 1.198 214 A CA 2.017 54.050 52.037 -0.008 0.000 0.629 214 A CB -0.638 18.361 19.000 -0.002 0.000 0.830 214 A HN 0.552 nan 8.150 nan 0.000 0.446 215 Q N -0.797 118.989 119.800 -0.023 0.000 2.197 215 Q HA -0.171 4.168 4.340 -0.001 0.000 0.207 215 Q C 2.082 178.045 176.000 -0.061 0.000 0.984 215 Q CA 1.125 56.907 55.803 -0.036 0.000 0.869 215 Q CB -0.583 28.144 28.738 -0.018 0.000 0.906 215 Q HN 0.622 nan 8.270 nan 0.000 0.426 216 L N 0.958 122.139 121.223 -0.069 0.000 1.988 216 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 216 L C 2.480 179.264 176.870 -0.143 0.000 1.071 216 L CA 1.924 56.686 54.840 -0.131 0.000 0.744 216 L CB -1.142 40.807 42.059 -0.184 0.000 0.893 216 L HN 0.211 nan 8.230 nan 0.000 0.433 217 V N -1.334 118.516 119.914 -0.108 0.000 2.626 217 V HA -0.215 3.905 4.120 -0.001 0.000 0.252 217 V C 2.613 178.652 176.094 -0.092 0.000 1.067 217 V CA 1.937 64.179 62.300 -0.096 0.000 1.081 217 V CB -0.731 31.059 31.823 -0.056 0.000 0.686 217 V HN 0.392 nan 8.190 nan 0.000 0.468 218 K N 1.402 121.752 120.400 -0.083 0.000 2.026 218 K HA -0.163 4.156 4.320 -0.001 0.000 0.208 218 K C 2.324 178.857 176.600 -0.111 0.000 1.048 218 K CA 2.130 58.366 56.287 -0.084 0.000 0.929 218 K CB -0.617 31.840 32.500 -0.072 0.000 0.713 218 K HN 0.487 nan 8.250 nan 0.000 0.439 219 R N 0.599 121.019 120.500 -0.133 0.000 2.083 219 R HA -0.000 4.339 4.340 -0.001 0.000 0.237 219 R C 2.132 178.345 176.300 -0.145 0.000 1.137 219 R CA 1.803 57.797 56.100 -0.176 0.000 0.951 219 R CB -0.800 29.388 30.300 -0.187 0.000 0.851 219 R HN 0.337 nan 8.270 nan 0.000 0.434 220 L N -0.306 120.838 121.223 -0.133 0.000 2.141 220 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 220 L C 2.131 178.918 176.870 -0.139 0.000 1.094 220 L CA 1.796 56.554 54.840 -0.137 0.000 0.763 220 L CB -0.622 41.340 42.059 -0.161 0.000 0.908 220 L HN 0.316 nan 8.230 nan 0.000 0.437 221 T N -1.126 113.355 114.554 -0.120 0.000 2.737 221 T HA -0.159 4.191 4.350 -0.001 0.000 0.265 221 T C 1.426 176.071 174.700 -0.091 0.000 1.038 221 T CA 1.398 63.437 62.100 -0.102 0.000 1.144 221 T CB -0.239 68.581 68.868 -0.080 0.000 0.866 221 T HN 0.281 nan 8.240 nan 0.000 0.434 222 D N 1.620 121.963 120.400 -0.095 0.000 2.178 222 D HA 0.014 4.653 4.640 -0.001 0.000 0.201 222 D C 2.103 178.354 176.300 -0.081 0.000 0.980 222 D CA 1.006 54.953 54.000 -0.089 0.000 0.842 222 D CB -0.383 40.352 40.800 -0.108 0.000 0.948 222 D HN 0.432 nan 8.370 nan 0.000 0.472 223 A N 0.298 123.066 122.820 -0.088 0.000 2.206 223 A HA -0.056 4.263 4.320 -0.001 0.000 0.211 223 A C 0.742 178.296 177.584 -0.050 0.000 1.158 223 A CA 0.860 52.861 52.037 -0.060 0.000 0.761 223 A CB -0.033 18.939 19.000 -0.046 0.000 0.801 223 A HN 0.084 nan 8.150 nan 0.000 0.473 224 D N -3.218 117.139 120.400 -0.072 0.000 2.981 224 D HA -0.215 4.425 4.640 -0.001 0.000 0.223 224 D C 0.830 177.054 176.300 -0.127 0.000 1.151 224 D CA 1.138 55.096 54.000 -0.070 0.000 0.827 224 D CB -1.381 39.404 40.800 -0.024 0.000 1.101 224 D HN 0.538 nan 8.370 nan 0.000 0.426 225 A N -0.659 122.024 122.820 -0.227 0.000 2.081 225 A HA 0.072 4.391 4.320 -0.001 0.000 0.214 225 A C 2.172 179.268 177.584 -0.812 0.000 1.158 225 A CA 0.827 52.528 52.037 -0.560 0.000 0.724 225 A CB -0.127 18.699 19.000 -0.290 0.000 0.826 225 A HN 0.298 nan 8.150 nan 0.000 0.463 226 M N 1.015 120.372 119.600 -0.405 0.000 2.213 226 M HA -0.163 4.316 4.480 -0.001 0.000 0.263 226 M C 2.041 178.187 176.300 -0.257 0.000 1.062 226 M CA 1.894 57.021 55.300 -0.288 0.000 1.105 226 M CB -0.940 31.569 32.600 -0.151 0.000 1.385 226 M HN 0.705 nan 8.290 nan 0.000 0.417 227 K N 0.346 120.604 120.400 -0.236 0.000 2.281 227 K HA -0.185 4.135 4.320 -0.001 0.000 0.203 227 K C 0.971 177.593 176.600 0.036 0.000 1.046 227 K CA 1.648 57.897 56.287 -0.064 0.000 0.938 227 K CB -0.665 31.839 32.500 0.006 0.000 0.737 227 K HN 0.524 nan 8.250 nan 0.000 0.458 228 Y N -0.422 119.895 120.300 0.029 0.000 2.660 228 Y HA 0.451 5.000 4.550 -0.001 0.000 0.254 228 Y C -0.542 175.397 175.900 0.065 0.000 1.176 228 Y CA -1.067 57.056 58.100 0.040 0.000 1.195 228 Y CB 0.071 38.491 38.460 -0.067 0.000 1.190 228 Y HN -0.219 nan 8.280 nan 0.000 0.535 229 T N 2.945 117.475 114.554 -0.040 0.000 2.807 229 T HA 0.579 4.928 4.350 -0.001 0.000 0.279 229 T C -0.441 174.305 174.700 0.076 0.000 0.993 229 T CA -0.419 61.697 62.100 0.027 0.000 0.970 229 T CB 1.735 70.545 68.868 -0.097 0.000 0.950 229 T HN 0.152 nan 8.240 nan 0.000 0.441 230 I N 2.604 123.256 120.570 0.136 0.000 2.336 230 I HA 0.425 4.594 4.170 -0.001 0.000 0.292 230 I C -0.423 175.770 176.117 0.127 0.000 0.991 230 I CA -1.016 60.363 61.300 0.132 0.000 1.227 230 I CB 1.500 39.602 38.000 0.170 0.000 1.366 230 I HN 0.236 nan 8.210 nan 0.000 0.466 231 V N 7.417 127.396 119.914 0.107 0.000 2.328 231 V HA 0.288 4.408 4.120 -0.001 0.000 0.278 231 V C 0.067 176.229 176.094 0.114 0.000 1.021 231 V CA -0.631 61.752 62.300 0.138 0.000 0.838 231 V CB 1.600 33.493 31.823 0.118 0.000 0.999 231 V HN 0.411 nan 8.190 nan 0.000 0.447 232 V N 4.200 124.181 119.914 0.111 0.000 2.394 232 V HA 0.583 4.702 4.120 -0.001 0.000 0.282 232 V C 0.236 176.374 176.094 0.074 0.000 1.031 232 V CA -0.074 62.272 62.300 0.076 0.000 0.881 232 V CB 1.699 33.558 31.823 0.059 0.000 0.982 232 V HN 0.839 nan 8.190 nan 0.000 0.451 233 S N 3.884 119.625 115.700 0.068 0.000 2.672 233 S HA 0.770 5.240 4.470 -0.001 0.000 0.291 233 S C -0.484 174.147 174.600 0.052 0.000 1.145 233 S CA -0.134 58.106 58.200 0.067 0.000 1.013 233 S CB 1.284 64.533 63.200 0.081 0.000 1.017 233 S HN 1.113 nan 8.310 nan 0.000 0.487 234 A N 4.260 127.105 122.820 0.042 0.000 2.536 234 A HA 0.636 4.956 4.320 -0.001 0.000 0.329 234 A C 0.406 178.012 177.584 0.037 0.000 1.321 234 A CA -0.607 51.452 52.037 0.037 0.000 0.804 234 A CB 0.079 19.096 19.000 0.029 0.000 1.126 234 A HN 0.875 nan 8.150 nan 0.000 0.480 235 T N -1.054 113.524 114.554 0.039 0.000 2.810 235 T HA 0.550 4.900 4.350 -0.001 0.000 0.277 235 T C 1.552 176.271 174.700 0.033 0.000 0.973 235 T CA 0.040 62.163 62.100 0.040 0.000 0.949 235 T CB 1.080 69.973 68.868 0.041 0.000 1.075 235 T HN 1.047 nan 8.240 nan 0.000 0.537 236 A N 0.653 123.492 122.820 0.033 0.000 2.024 236 A HA -0.055 4.264 4.320 -0.001 0.000 0.220 236 A C 2.408 180.005 177.584 0.022 0.000 1.164 236 A CA 1.924 53.978 52.037 0.028 0.000 0.643 236 A CB -1.279 17.738 19.000 0.029 0.000 0.806 236 A HN 1.068 nan 8.150 nan 0.000 0.451 237 S N -0.929 114.784 115.700 0.021 0.000 2.535 237 S HA 0.104 4.573 4.470 -0.001 0.000 0.214 237 S C -0.074 174.535 174.600 0.014 0.000 0.980 237 S CA -0.242 57.967 58.200 0.016 0.000 0.907 237 S CB -0.162 63.048 63.200 0.017 0.000 0.790 237 S HN 0.353 nan 8.310 nan 0.000 0.510 238 D N 3.000 123.410 120.400 0.016 0.000 2.382 238 D HA 0.543 5.182 4.640 -0.001 0.000 0.245 238 D C 0.380 176.677 176.300 -0.006 0.000 1.120 238 D CA 0.245 54.252 54.000 0.012 0.000 0.890 238 D CB 1.122 41.933 40.800 0.018 0.000 1.201 238 D HN 0.453 nan 8.370 nan 0.000 0.433 239 A N 1.622 124.428 122.820 -0.023 0.000 2.483 239 A HA 0.371 4.691 4.320 -0.001 0.000 0.238 239 A C 1.490 179.028 177.584 -0.077 0.000 1.070 239 A CA 0.367 52.373 52.037 -0.052 0.000 0.770 239 A CB 0.186 19.145 19.000 -0.069 0.000 1.008 239 A HN 0.631 nan 8.150 nan 0.000 0.497 240 A N 3.319 126.103 122.820 -0.061 0.000 1.884 240 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 240 A C 0.165 177.730 177.584 -0.031 0.000 1.197 240 A CA 2.181 54.199 52.037 -0.032 0.000 0.637 240 A CB -1.778 17.203 19.000 -0.033 0.000 0.827 240 A HN 0.702 nan 8.150 nan 0.000 0.450 241 P HA -0.154 nan 4.420 nan 0.000 0.218 241 P C 1.491 178.681 177.300 -0.183 0.000 1.148 241 P CA 1.133 64.129 63.100 -0.174 0.000 0.822 241 P CB -0.264 31.066 31.700 -0.616 0.000 0.784 242 L N -0.570 120.480 121.223 -0.287 0.000 2.083 242 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 242 L C 2.900 179.770 176.870 -0.001 0.000 1.083 242 L CA 1.536 56.309 54.840 -0.111 0.000 0.752 242 L CB -1.185 40.839 42.059 -0.058 0.000 0.899 242 L HN -0.027 nan 8.230 nan 0.000 0.433 243 Q N -1.092 118.723 119.800 0.025 0.000 2.167 243 Q HA -0.232 4.107 4.340 -0.001 0.000 0.202 243 Q C 2.101 178.168 176.000 0.111 0.000 0.970 243 Q CA 1.596 57.434 55.803 0.059 0.000 0.855 243 Q CB -0.274 28.502 28.738 0.063 0.000 0.911 243 Q HN 0.544 nan 8.270 nan 0.000 0.438 244 Y N 0.893 121.213 120.300 0.035 0.000 2.242 244 Y HA -0.110 4.441 4.550 0.001 0.000 0.291 244 Y C 1.615 177.610 175.900 0.159 0.000 1.137 244 Y CA 1.087 59.244 58.100 0.095 0.000 1.181 244 Y CB -0.127 38.412 38.460 0.131 0.000 0.989 244 Y HN -0.025 nan 8.280 nan 0.000 0.527 245 L N -0.241 120.885 121.223 -0.162 0.000 2.270 245 L HA -0.003 4.336 4.340 -0.001 0.000 0.210 245 L C 2.758 179.623 176.870 -0.007 0.000 1.104 245 L CA 0.733 55.475 54.840 -0.165 0.000 0.804 245 L CB -0.827 41.210 42.059 -0.036 0.000 0.937 245 L HN 0.352 nan 8.230 nan 0.000 0.450 246 A N 1.218 124.027 122.820 -0.020 0.000 1.892 246 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 246 A C -0.142 177.409 177.584 -0.054 0.000 1.188 246 A CA 1.891 53.921 52.037 -0.012 0.000 0.631 246 A CB -1.841 17.158 19.000 -0.003 0.000 0.822 246 A HN 0.269 nan 8.150 nan 0.000 0.447 247 P HA -0.159 nan 4.420 nan 0.000 0.216 247 P C 0.895 177.995 177.300 -0.332 0.000 1.150 247 P CA 1.340 64.228 63.100 -0.352 0.000 0.837 247 P CB -0.226 30.961 31.700 -0.856 0.000 0.786 248 Y N -0.444 119.747 120.300 -0.182 0.000 2.200 248 Y HA -0.133 4.416 4.550 -0.001 0.000 0.290 248 Y C 2.680 178.546 175.900 -0.057 0.000 1.137 248 Y CA 1.324 59.339 58.100 -0.141 0.000 1.163 248 Y CB -1.326 37.006 38.460 -0.214 0.000 0.988 248 Y HN -0.100 nan 8.280 nan 0.000 0.518 249 S N 0.089 115.848 115.700 0.098 0.000 2.359 249 S HA -0.242 4.227 4.470 -0.001 0.000 0.223 249 S C 2.426 177.065 174.600 0.065 0.000 1.039 249 S CA 1.480 59.719 58.200 0.065 0.000 1.042 249 S CB -1.190 62.042 63.200 0.053 0.000 0.915 249 S HN 0.680 nan 8.310 nan 0.000 0.439 250 G N -0.055 108.789 108.800 0.074 0.000 2.442 250 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.219 250 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.219 250 G C 1.714 176.685 174.900 0.118 0.000 1.141 250 G CA 1.073 46.231 45.100 0.096 0.000 0.763 250 G HN 0.589 nan 8.290 nan 0.000 0.554 251 C N 0.681 120.068 119.300 0.144 0.000 2.413 251 C HA -0.031 4.428 4.460 -0.001 0.000 0.276 251 C C 3.309 178.361 174.990 0.103 0.000 1.236 251 C CA 1.787 60.893 59.018 0.148 0.000 1.735 251 C CB -0.912 26.907 27.740 0.132 0.000 2.031 251 C HN 0.378 nan 8.230 nan 0.000 0.474 252 S N 0.474 116.222 115.700 0.081 0.000 2.402 252 S HA -0.109 4.360 4.470 -0.001 0.000 0.229 252 S C 1.681 176.300 174.600 0.032 0.000 1.021 252 S CA 1.744 59.976 58.200 0.053 0.000 0.974 252 S CB -0.368 62.854 63.200 0.036 0.000 0.800 252 S HN 0.652 nan 8.310 nan 0.000 0.484 253 M N 1.048 120.666 119.600 0.030 0.000 2.213 253 M HA -0.034 4.446 4.480 -0.001 0.000 0.263 253 M C 2.374 178.699 176.300 0.042 0.000 1.062 253 M CA 1.409 56.704 55.300 -0.008 0.000 1.105 253 M CB -0.633 31.988 32.600 0.035 0.000 1.385 253 M HN 0.448 nan 8.290 nan 0.000 0.417 254 G N -0.172 108.717 108.800 0.150 0.000 2.464 254 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.217 254 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.217 254 G C 1.330 176.338 174.900 0.180 0.000 1.138 254 G CA 0.235 45.494 45.100 0.265 0.000 0.793 254 G HN 0.460 nan 8.290 nan 0.000 0.539 255 E N -0.496 119.759 120.200 0.092 0.000 2.150 255 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 255 E C 1.929 178.532 176.600 0.005 0.000 0.985 255 E CA 0.612 57.044 56.400 0.054 0.000 0.814 255 E CB -0.241 29.487 29.700 0.046 0.000 0.752 255 E HN 0.558 nan 8.360 nan 0.000 0.466 256 Y N 0.719 120.912 120.300 -0.179 0.000 2.151 256 Y HA -0.307 4.242 4.550 -0.001 0.000 0.284 256 Y C 1.660 177.376 175.900 -0.306 0.000 1.166 256 Y CA 1.733 59.651 58.100 -0.303 0.000 1.163 256 Y CB -0.409 37.753 38.460 -0.497 0.000 0.974 256 Y HN -0.034 nan 8.280 nan 0.000 0.511 257 F N -0.068 119.787 119.950 -0.158 0.000 2.084 257 F HA -0.113 4.413 4.527 -0.001 0.000 0.296 257 F C 2.813 178.482 175.800 -0.217 0.000 1.111 257 F CA 1.495 59.329 58.000 -0.277 0.000 1.224 257 F CB -0.632 38.275 39.000 -0.155 0.000 0.991 257 F HN -0.133 nan 8.300 nan 0.000 0.471 258 R N 0.772 121.313 120.500 0.068 0.000 2.103 258 R HA -0.204 4.135 4.340 -0.001 0.000 0.242 258 R C 1.148 177.419 176.300 -0.048 0.000 1.142 258 R CA 2.206 58.310 56.100 0.006 0.000 0.960 258 R CB -0.469 29.853 30.300 0.036 0.000 0.858 258 R HN 0.190 nan 8.270 nan 0.000 0.439 259 D N -0.251 120.105 120.400 -0.073 0.000 2.355 259 D HA 0.001 4.641 4.640 -0.001 0.000 0.218 259 D C 0.102 176.335 176.300 -0.111 0.000 1.004 259 D CA 0.625 54.590 54.000 -0.058 0.000 0.880 259 D CB 0.071 40.847 40.800 -0.041 0.000 0.911 259 D HN 0.283 nan 8.370 nan 0.000 0.528 260 N N -0.154 118.429 118.700 -0.194 0.000 2.541 260 N HA 0.187 4.926 4.740 -0.001 0.000 0.297 260 N C 0.625 176.050 175.510 -0.142 0.000 1.503 260 N CA -0.006 52.916 53.050 -0.213 0.000 0.919 260 N CB 1.562 39.803 38.487 -0.410 0.000 1.305 260 N HN 0.027 nan 8.380 nan 0.000 0.501 261 G N 1.301 110.033 108.800 -0.114 0.000 2.166 261 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.260 261 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.260 261 G C 0.134 174.927 174.900 -0.179 0.000 0.986 261 G CA 0.766 45.797 45.100 -0.115 0.000 0.683 261 G HN 0.342 nan 8.290 nan 0.000 0.527 262 K N -0.474 119.816 120.400 -0.182 0.000 2.306 262 K HA 0.685 5.005 4.320 -0.001 0.000 0.236 262 K C -0.345 176.101 176.600 -0.257 0.000 1.013 262 K CA -0.993 55.216 56.287 -0.131 0.000 0.857 262 K CB 1.149 33.710 32.500 0.102 0.000 1.214 262 K HN 0.296 nan 8.250 nan 0.000 0.449 263 H N -0.239 118.928 119.070 0.162 0.000 2.495 263 H HA 0.573 5.129 4.556 -0.001 0.000 0.348 263 H C -1.068 174.343 175.328 0.138 0.000 1.113 263 H CA -0.795 55.315 56.048 0.102 0.000 1.195 263 H CB 1.997 31.768 29.762 0.015 0.000 1.521 263 H HN 0.669 nan 8.280 nan 0.000 0.509 264 A N 3.058 126.010 122.820 0.221 0.000 2.414 264 A HA 0.495 4.814 4.320 -0.001 0.000 0.306 264 A C -1.390 176.261 177.584 0.111 0.000 1.054 264 A CA -0.645 51.499 52.037 0.178 0.000 0.724 264 A CB 1.872 21.033 19.000 0.268 0.000 1.267 264 A HN 0.456 nan 8.150 nan 0.000 0.418 265 L N 2.212 123.483 121.223 0.080 0.000 2.329 265 L HA 0.825 5.164 4.340 -0.001 0.000 0.279 265 L C -0.856 176.012 176.870 -0.003 0.000 1.014 265 L CA -0.524 54.332 54.840 0.027 0.000 0.814 265 L CB 1.277 43.352 42.059 0.027 0.000 1.257 265 L HN 0.681 nan 8.230 nan 0.000 0.424 266 I N 4.757 125.259 120.570 -0.113 0.000 2.533 266 I HA 0.527 4.696 4.170 -0.001 0.000 0.290 266 I C -1.416 174.435 176.117 -0.443 0.000 1.056 266 I CA -0.525 60.617 61.300 -0.263 0.000 1.057 266 I CB 1.645 39.433 38.000 -0.354 0.000 1.240 266 I HN 0.560 nan 8.210 nan 0.000 0.423 267 I N 7.945 128.279 120.570 -0.394 0.000 2.378 267 I HA 0.297 4.466 4.170 -0.001 0.000 0.291 267 I C -1.122 174.675 176.117 -0.533 0.000 0.992 267 I CA -0.070 61.002 61.300 -0.380 0.000 1.154 267 I CB 1.280 39.212 38.000 -0.112 0.000 1.315 267 I HN 0.343 nan 8.210 nan 0.000 0.448 268 Y N 4.208 124.370 120.300 -0.229 0.000 2.434 268 Y HA 0.405 4.955 4.550 0.000 0.000 0.341 268 Y C -0.096 175.646 175.900 -0.264 0.000 0.965 268 Y CA -0.723 57.215 58.100 -0.270 0.000 1.205 268 Y CB 0.898 39.205 38.460 -0.254 0.000 1.121 268 Y HN 0.403 nan 8.280 nan 0.000 0.507 269 D N 3.836 124.115 120.400 -0.203 0.000 2.438 269 D HA 0.173 4.812 4.640 -0.001 0.000 0.257 269 D C -1.241 175.008 176.300 -0.085 0.000 1.148 269 D CA -0.426 53.477 54.000 -0.161 0.000 0.902 269 D CB 0.373 41.025 40.800 -0.248 0.000 1.062 269 D HN 0.680 nan 8.370 nan 0.000 0.518 270 D N 0.327 120.705 120.400 -0.037 0.000 2.566 270 D HA 0.271 4.910 4.640 -0.001 0.000 0.254 270 D C 0.834 177.103 176.300 -0.051 0.000 1.090 270 D CA -0.734 53.242 54.000 -0.039 0.000 1.034 270 D CB 1.098 41.887 40.800 -0.019 0.000 1.434 270 D HN 0.092 nan 8.370 nan 0.000 0.509 271 L N 0.002 121.166 121.223 -0.099 0.000 2.341 271 L HA 0.009 4.349 4.340 -0.001 0.000 0.214 271 L C 1.888 178.744 176.870 -0.023 0.000 1.115 271 L CA 0.332 55.069 54.840 -0.171 0.000 0.820 271 L CB -0.300 41.475 42.059 -0.474 0.000 0.944 271 L HN 0.411 nan 8.230 nan 0.000 0.452 272 S N 0.495 116.194 115.700 -0.003 0.000 2.353 272 S HA -0.226 4.244 4.470 -0.001 0.000 0.222 272 S C 1.958 176.625 174.600 0.112 0.000 1.035 272 S CA 1.565 59.802 58.200 0.063 0.000 1.025 272 S CB -0.094 63.136 63.200 0.050 0.000 0.902 272 S HN 0.364 nan 8.310 nan 0.000 0.440 273 K N 0.916 121.365 120.400 0.082 0.000 2.057 273 K HA -0.080 4.240 4.320 -0.001 0.000 0.206 273 K C 2.506 179.177 176.600 0.118 0.000 1.050 273 K CA 0.958 57.300 56.287 0.093 0.000 0.935 273 K CB -0.187 32.350 32.500 0.061 0.000 0.715 273 K HN 0.316 nan 8.250 nan 0.000 0.439 274 Q N 0.668 120.532 119.800 0.108 0.000 2.077 274 Q HA -0.231 4.109 4.340 -0.001 0.000 0.206 274 Q C 2.059 178.199 176.000 0.235 0.000 0.989 274 Q CA 1.919 57.813 55.803 0.152 0.000 0.853 274 Q CB -0.151 28.649 28.738 0.102 0.000 0.907 274 Q HN 0.351 nan 8.270 nan 0.000 0.418 275 A N 0.038 123.011 122.820 0.255 0.000 1.883 275 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 275 A C 2.276 180.113 177.584 0.422 0.000 1.186 275 A CA 1.653 53.858 52.037 0.281 0.000 0.624 275 A CB -0.937 18.156 19.000 0.155 0.000 0.822 275 A HN 0.312 nan 8.150 nan 0.000 0.444 276 V N -0.149 119.975 119.914 0.350 0.000 2.324 276 V HA -0.329 3.790 4.120 -0.001 0.000 0.250 276 V C 3.055 179.232 176.094 0.140 0.000 1.060 276 V CA 2.209 64.647 62.300 0.231 0.000 1.042 276 V CB -1.192 30.726 31.823 0.159 0.000 0.650 276 V HN 0.656 nan 8.190 nan 0.000 0.450 277 A N -1.293 121.619 122.820 0.154 0.000 1.877 277 A HA -0.268 4.051 4.320 -0.001 0.000 0.216 277 A C 2.155 179.804 177.584 0.107 0.000 1.186 277 A CA 2.078 54.184 52.037 0.114 0.000 0.620 277 A CB -0.793 18.289 19.000 0.137 0.000 0.822 277 A HN 0.618 nan 8.150 nan 0.000 0.443 278 Y N 0.396 120.715 120.300 0.032 0.000 2.224 278 Y HA -0.173 4.377 4.550 -0.000 0.000 0.289 278 Y C 2.501 178.376 175.900 -0.043 0.000 1.146 278 Y CA 1.919 59.973 58.100 -0.077 0.000 1.182 278 Y CB -0.344 38.084 38.460 -0.054 0.000 0.983 278 Y HN 0.343 nan 8.280 nan 0.000 0.524 279 R N 0.239 120.758 120.500 0.031 0.000 2.096 279 R HA -0.246 4.094 4.340 -0.001 0.000 0.235 279 R C 2.434 178.628 176.300 -0.177 0.000 1.127 279 R CA 1.880 57.922 56.100 -0.097 0.000 0.968 279 R CB -0.395 29.805 30.300 -0.167 0.000 0.861 279 R HN 0.542 nan 8.270 nan 0.000 0.440 280 Q N 0.273 119.999 119.800 -0.123 0.000 2.030 280 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 280 Q C 2.094 178.002 176.000 -0.153 0.000 0.986 280 Q CA 2.250 57.984 55.803 -0.114 0.000 0.843 280 Q CB -0.088 28.609 28.738 -0.068 0.000 0.904 280 Q HN 0.422 nan 8.270 nan 0.000 0.420 281 M N -0.163 119.313 119.600 -0.207 0.000 2.086 281 M HA -0.173 4.307 4.480 -0.001 0.000 0.261 281 M C 2.331 178.457 176.300 -0.290 0.000 1.067 281 M CA 1.795 56.948 55.300 -0.246 0.000 1.116 281 M CB -0.009 32.404 32.600 -0.312 0.000 1.348 281 M HN 0.151 nan 8.290 nan 0.000 0.407 282 S N 0.648 116.097 115.700 -0.420 0.000 2.368 282 S HA -0.053 4.417 4.470 -0.001 0.000 0.224 282 S C 1.868 176.357 174.600 -0.185 0.000 1.029 282 S CA 1.051 59.047 58.200 -0.340 0.000 0.988 282 S CB -0.485 62.481 63.200 -0.390 0.000 0.838 282 S HN 0.383 nan 8.310 nan 0.000 0.462 283 L N 0.899 122.021 121.223 -0.168 0.000 2.046 283 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 283 L C 2.210 179.025 176.870 -0.092 0.000 1.077 283 L CA 1.207 55.977 54.840 -0.116 0.000 0.747 283 L CB -0.554 41.436 42.059 -0.116 0.000 0.896 283 L HN 0.289 nan 8.230 nan 0.000 0.432 284 L N -0.808 120.357 121.223 -0.097 0.000 2.240 284 L HA -0.132 4.207 4.340 -0.001 0.000 0.211 284 L C 2.142 178.977 176.870 -0.058 0.000 1.106 284 L CA 0.563 55.361 54.840 -0.069 0.000 0.793 284 L CB -0.182 41.838 42.059 -0.065 0.000 0.927 284 L HN 0.244 nan 8.230 nan 0.000 0.446 285 L N -0.661 120.518 121.223 -0.074 0.000 2.610 285 L HA -0.003 4.337 4.340 -0.001 0.000 0.232 285 L C 0.899 177.742 176.870 -0.044 0.000 1.149 285 L CA 0.223 55.031 54.840 -0.053 0.000 0.872 285 L CB -0.266 41.753 42.059 -0.066 0.000 0.992 285 L HN 0.239 nan 8.230 nan 0.000 0.447 286 R N -0.316 120.153 120.500 -0.051 0.000 3.878 286 R HA -0.157 4.183 4.340 -0.001 0.000 0.330 286 R C 0.068 176.347 176.300 -0.035 0.000 1.186 286 R CA 0.410 56.486 56.100 -0.040 0.000 0.885 286 R CB -1.431 28.853 30.300 -0.026 0.000 1.377 286 R HN 0.352 nan 8.270 nan 0.000 0.523 287 R N 0.827 121.299 120.500 -0.047 0.000 2.643 287 R HA 0.117 4.457 4.340 -0.001 0.000 0.270 287 R C -2.073 174.208 176.300 -0.031 0.000 1.061 287 R CA -1.321 54.758 56.100 -0.035 0.000 1.107 287 R CB 0.171 30.442 30.300 -0.048 0.000 0.999 287 R HN -0.104 nan 8.270 nan 0.000 0.460 288 P HA 0.052 nan 4.420 nan 0.000 0.268 288 P C -2.324 174.970 177.300 -0.010 0.000 1.204 288 P CA -0.881 62.212 63.100 -0.011 0.000 0.768 288 P CB 0.208 31.908 31.700 -0.001 0.000 0.842 289 P HA 0.284 nan 4.420 nan 0.000 0.284 289 P C -0.003 177.288 177.300 -0.015 0.000 1.253 289 P CA -0.051 63.036 63.100 -0.023 0.000 0.800 289 P CB 1.560 33.234 31.700 -0.043 0.000 0.961 290 G N 1.902 110.698 108.800 -0.007 0.000 3.175 290 G HA2 0.317 4.276 3.960 -0.001 0.000 0.153 290 G HA3 0.317 4.276 3.960 -0.001 0.000 0.153 290 G C -0.539 174.319 174.900 -0.069 0.000 1.216 290 G CA -0.816 44.260 45.100 -0.040 0.000 0.943 290 G HN 0.556 nan 8.290 nan 0.000 0.611 291 R N 0.634 121.035 120.500 -0.165 0.000 2.538 291 R HA 0.091 4.430 4.340 -0.001 0.000 0.282 291 R C 0.049 176.337 176.300 -0.021 0.000 1.009 291 R CA 0.937 56.933 56.100 -0.174 0.000 1.063 291 R CB -0.230 29.829 30.300 -0.400 0.000 0.945 291 R HN 0.698 nan 8.270 nan 0.000 0.414 292 E N 2.564 122.785 120.200 0.036 0.000 2.883 292 E HA -0.334 4.015 4.350 -0.001 0.000 0.271 292 E C 0.311 176.877 176.600 -0.056 0.000 1.049 292 E CA 0.546 57.002 56.400 0.092 0.000 0.817 292 E CB -1.172 28.728 29.700 0.332 0.000 1.407 292 E HN 0.894 nan 8.360 nan 0.000 0.434 293 A N -2.379 120.402 122.820 -0.065 0.000 3.153 293 A HA -0.315 4.004 4.320 -0.001 0.000 0.265 293 A C 0.123 177.615 177.584 -0.154 0.000 1.212 293 A CA 1.763 53.725 52.037 -0.125 0.000 1.018 293 A CB -2.168 16.731 19.000 -0.168 0.000 1.130 293 A HN 0.463 nan 8.150 nan 0.000 0.873 294 Y N 0.573 120.910 120.300 0.061 0.000 2.397 294 Y HA 0.438 4.987 4.550 -0.002 0.000 0.335 294 Y C -1.128 174.836 175.900 0.107 0.000 1.213 294 Y CA -0.956 57.225 58.100 0.134 0.000 1.391 294 Y CB 0.474 39.130 38.460 0.327 0.000 1.293 294 Y HN 0.283 nan 8.280 nan 0.000 0.557 295 P HA 0.115 nan 4.420 nan 0.000 0.280 295 P C 0.395 177.848 177.300 0.256 0.000 1.272 295 P CA -0.389 62.826 63.100 0.192 0.000 0.819 295 P CB 1.009 32.788 31.700 0.131 0.000 1.122 296 G N 0.437 109.349 108.800 0.188 0.000 2.559 296 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.216 296 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.216 296 G C 0.628 175.671 174.900 0.238 0.000 1.126 296 G CA 0.407 45.621 45.100 0.189 0.000 0.778 296 G HN 0.627 nan 8.290 nan 0.000 0.543 297 D N -0.109 120.461 120.400 0.284 0.000 2.363 297 D HA 0.073 4.712 4.640 -0.001 0.000 0.214 297 D C 1.828 178.317 176.300 0.315 0.000 1.093 297 D CA -0.309 53.902 54.000 0.350 0.000 0.837 297 D CB 0.038 41.078 40.800 0.401 0.000 0.948 297 D HN 0.100 nan 8.370 nan 0.000 0.507 298 V N -0.162 119.920 119.914 0.279 0.000 2.548 298 V HA -0.103 4.016 4.120 -0.001 0.000 0.249 298 V C 1.853 177.918 176.094 -0.048 0.000 1.055 298 V CA 1.086 63.438 62.300 0.088 0.000 1.065 298 V CB -0.679 31.218 31.823 0.125 0.000 0.681 298 V HN 0.157 nan 8.190 nan 0.000 0.462 299 F N 0.020 119.957 119.950 -0.021 0.000 2.069 299 F HA -0.240 4.286 4.527 -0.002 0.000 0.298 299 F C 2.229 178.076 175.800 0.079 0.000 1.113 299 F CA 2.499 60.490 58.000 -0.015 0.000 1.214 299 F CB -0.642 38.381 39.000 0.038 0.000 0.978 299 F HN 0.358 nan 8.300 nan 0.000 0.474 300 Y N 0.796 121.209 120.300 0.189 0.000 2.114 300 Y HA -0.292 4.257 4.550 -0.001 0.000 0.282 300 Y C 2.270 178.149 175.900 -0.035 0.000 1.165 300 Y CA 1.882 60.036 58.100 0.090 0.000 1.148 300 Y CB -1.209 37.327 38.460 0.127 0.000 0.972 300 Y HN 0.236 nan 8.280 nan 0.000 0.504 301 L N -0.069 121.062 121.223 -0.152 0.000 1.991 301 L HA -0.345 3.995 4.340 -0.001 0.000 0.221 301 L C 2.444 179.239 176.870 -0.125 0.000 1.079 301 L CA 2.689 57.369 54.840 -0.267 0.000 0.778 301 L CB -0.915 40.907 42.059 -0.395 0.000 0.893 301 L HN 0.419 nan 8.230 nan 0.000 0.437 302 H N -1.846 117.090 119.070 -0.225 0.000 2.403 302 H HA -0.071 4.485 4.556 0.000 0.000 0.298 302 H C 2.396 177.532 175.328 -0.320 0.000 1.059 302 H CA 0.883 56.750 56.048 -0.302 0.000 1.363 302 H CB 0.033 29.592 29.762 -0.339 0.000 1.410 302 H HN 0.573 nan 8.280 nan 0.000 0.528 303 S N 1.541 117.083 115.700 -0.263 0.000 2.382 303 S HA -0.222 4.248 4.470 -0.001 0.000 0.228 303 S C 2.065 176.616 174.600 -0.082 0.000 1.027 303 S CA 1.269 59.320 58.200 -0.247 0.000 0.991 303 S CB -0.279 62.758 63.200 -0.273 0.000 0.823 303 S HN 0.550 nan 8.310 nan 0.000 0.469 304 R N 0.557 121.025 120.500 -0.054 0.000 2.189 304 R HA 0.194 4.534 4.340 -0.001 0.000 0.218 304 R C 2.236 178.545 176.300 0.015 0.000 1.074 304 R CA 0.937 57.025 56.100 -0.020 0.000 0.991 304 R CB -0.603 29.636 30.300 -0.102 0.000 0.883 304 R HN 0.451 nan 8.270 nan 0.000 0.457 305 L N 1.016 122.233 121.223 -0.010 0.000 2.044 305 L HA 0.046 4.386 4.340 -0.001 0.000 0.205 305 L C 1.987 178.790 176.870 -0.111 0.000 1.075 305 L CA 1.502 56.264 54.840 -0.130 0.000 0.747 305 L CB -0.141 41.616 42.059 -0.504 0.000 0.903 305 L HN 0.200 nan 8.230 nan 0.000 0.435 306 L N -0.718 120.440 121.223 -0.109 0.000 2.240 306 L HA -0.018 4.321 4.340 -0.001 0.000 0.211 306 L C 2.304 179.166 176.870 -0.015 0.000 1.106 306 L CA 0.333 55.143 54.840 -0.049 0.000 0.793 306 L CB -0.515 41.491 42.059 -0.088 0.000 0.927 306 L HN 0.254 nan 8.230 nan 0.000 0.446 307 E N 0.503 120.693 120.200 -0.017 0.000 2.338 307 E HA -0.138 4.211 4.350 -0.001 0.000 0.197 307 E C 2.003 178.608 176.600 0.009 0.000 1.007 307 E CA 0.604 57.004 56.400 0.001 0.000 0.849 307 E CB 0.020 29.726 29.700 0.011 0.000 0.774 307 E HN 0.475 nan 8.360 nan 0.000 0.506 308 R N 0.589 121.100 120.500 0.019 0.000 2.276 308 R HA 0.098 4.437 4.340 -0.001 0.000 0.203 308 R C 0.876 177.197 176.300 0.035 0.000 1.017 308 R CA 0.324 56.441 56.100 0.029 0.000 1.010 308 R CB 0.102 30.430 30.300 0.047 0.000 0.900 308 R HN -0.069 nan 8.270 nan 0.000 0.469 309 A N 1.276 124.118 122.820 0.037 0.000 2.450 309 A HA 0.577 4.897 4.320 -0.001 0.000 0.255 309 A C -0.166 177.426 177.584 0.013 0.000 1.096 309 A CA 0.094 52.149 52.037 0.030 0.000 0.778 309 A CB 0.364 19.380 19.000 0.025 0.000 1.031 309 A HN 0.297 nan 8.150 nan 0.000 0.494 310 A N 2.244 125.072 122.820 0.013 0.000 2.608 310 A HA 0.678 4.998 4.320 -0.001 0.000 0.292 310 A C -0.844 176.746 177.584 0.009 0.000 1.066 310 A CA -0.763 51.273 52.037 -0.001 0.000 0.676 310 A CB 1.134 20.120 19.000 -0.024 0.000 1.277 310 A HN 0.859 nan 8.150 nan 0.000 0.413 311 K N 2.161 122.563 120.400 0.003 0.000 2.316 311 K HA 0.569 4.888 4.320 -0.001 0.000 0.267 311 K C -0.461 176.137 176.600 -0.004 0.000 1.025 311 K CA -0.385 55.913 56.287 0.019 0.000 0.896 311 K CB 0.287 32.800 32.500 0.022 0.000 1.124 311 K HN 0.615 nan 8.250 nan 0.000 0.451 312 M N 2.943 122.543 119.600 0.001 0.000 2.242 312 M HA 0.170 4.650 4.480 -0.001 0.000 0.344 312 M C 0.384 176.706 176.300 0.036 0.000 1.140 312 M CA -0.523 54.772 55.300 -0.009 0.000 1.160 312 M CB 0.124 32.740 32.600 0.027 0.000 1.491 312 M HN 0.720 nan 8.290 nan 0.000 0.459 313 N N 1.099 119.833 118.700 0.057 0.000 2.347 313 N HA 0.102 4.841 4.740 -0.001 0.000 0.253 313 N C 0.098 175.693 175.510 0.140 0.000 1.274 313 N CA -0.308 52.801 53.050 0.098 0.000 0.941 313 N CB 0.478 39.028 38.487 0.106 0.000 1.200 313 N HN 0.424 nan 8.380 nan 0.000 0.514 314 D N -0.360 120.099 120.400 0.098 0.000 2.178 314 D HA -0.128 4.511 4.640 -0.001 0.000 0.201 314 D C 1.644 177.981 176.300 0.061 0.000 0.980 314 D CA 1.626 55.668 54.000 0.069 0.000 0.842 314 D CB -0.515 40.310 40.800 0.042 0.000 0.948 314 D HN 0.723 nan 8.370 nan 0.000 0.472 315 A N 0.203 123.073 122.820 0.084 0.000 2.024 315 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 315 A C 1.474 178.975 177.584 -0.139 0.000 1.164 315 A CA 1.015 53.047 52.037 -0.009 0.000 0.643 315 A CB -0.652 18.363 19.000 0.025 0.000 0.806 315 A HN 0.169 nan 8.150 nan 0.000 0.451 316 F N -1.345 118.595 119.950 -0.017 0.000 2.647 316 F HA 0.413 4.940 4.527 -0.001 0.000 0.300 316 F C 1.700 177.477 175.800 -0.038 0.000 1.106 316 F CA 0.525 58.511 58.000 -0.025 0.000 1.313 316 F CB 0.533 39.521 39.000 -0.020 0.000 1.007 316 F HN 0.344 nan 8.300 nan 0.000 0.536 317 G N -0.395 108.446 108.800 0.069 0.000 2.232 317 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.226 317 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.226 317 G C 1.314 176.218 174.900 0.007 0.000 0.996 317 G CA -0.071 45.037 45.100 0.014 0.000 0.626 317 G HN 1.052 nan 8.290 nan 0.000 0.509 318 G N -0.343 108.483 108.800 0.043 0.000 2.168 318 G HA2 0.152 4.112 3.960 -0.001 0.000 0.263 318 G HA3 0.152 4.112 3.960 -0.001 0.000 0.263 318 G C 1.587 176.466 174.900 -0.034 0.000 0.977 318 G CA 1.134 46.253 45.100 0.031 0.000 0.659 318 G HN 2.138 nan 8.290 nan 0.000 0.533 319 G N -0.486 108.249 108.800 -0.108 0.000 2.683 319 G HA2 0.652 4.612 3.960 -0.001 0.000 0.260 319 G HA3 0.652 4.612 3.960 -0.001 0.000 0.260 319 G C 0.350 175.184 174.900 -0.109 0.000 1.238 319 G CA 1.080 46.024 45.100 -0.261 0.000 0.934 319 G HN 1.923 nan 8.290 nan 0.000 0.534 320 S N -1.626 114.033 115.700 -0.069 0.000 2.537 320 S HA 0.540 5.009 4.470 -0.001 0.000 0.271 320 S C -1.497 173.164 174.600 0.101 0.000 1.148 320 S CA -0.822 57.431 58.200 0.089 0.000 0.868 320 S CB 1.828 65.177 63.200 0.249 0.000 1.115 320 S HN 1.116 nan 8.310 nan 0.000 0.461 321 L N 2.032 123.302 121.223 0.078 0.000 2.376 321 L HA 0.751 5.090 4.340 -0.001 0.000 0.275 321 L C -0.776 176.121 176.870 0.044 0.000 0.987 321 L CA 0.235 55.120 54.840 0.075 0.000 0.828 321 L CB 1.934 44.035 42.059 0.070 0.000 1.249 321 L HN 0.911 nan 8.230 nan 0.000 0.409 322 T N 4.539 119.111 114.554 0.029 0.000 2.771 322 T HA 0.810 5.159 4.350 -0.001 0.000 0.281 322 T C -0.323 174.346 174.700 -0.051 0.000 0.982 322 T CA -0.294 61.802 62.100 -0.006 0.000 0.978 322 T CB 1.370 70.233 68.868 -0.008 0.000 0.930 322 T HN 0.770 nan 8.240 nan 0.000 0.447 323 A N 3.653 126.434 122.820 -0.065 0.000 2.318 323 A HA 0.753 5.073 4.320 -0.001 0.000 0.324 323 A C -0.405 177.106 177.584 -0.122 0.000 1.170 323 A CA -0.735 51.218 52.037 -0.140 0.000 0.810 323 A CB 0.515 19.486 19.000 -0.049 0.000 1.198 323 A HN 0.876 nan 8.150 nan 0.000 0.484 324 L N 4.735 125.848 121.223 -0.183 0.000 2.435 324 L HA 0.319 4.658 4.340 -0.001 0.000 0.253 324 L C -2.260 174.539 176.870 -0.120 0.000 1.087 324 L CA -1.762 53.004 54.840 -0.123 0.000 0.950 324 L CB 1.197 43.201 42.059 -0.092 0.000 1.304 324 L HN 0.503 nan 8.230 nan 0.000 0.453 325 P HA 0.119 nan 4.420 nan 0.000 0.271 325 P C -0.456 176.807 177.300 -0.061 0.000 1.218 325 P CA -0.100 63.002 63.100 0.004 0.000 0.780 325 P CB 1.963 33.650 31.700 -0.021 0.000 0.901 326 V N 4.197 124.076 119.914 -0.057 0.000 2.513 326 V HA 0.448 4.567 4.120 -0.001 0.000 0.299 326 V C 0.398 176.450 176.094 -0.069 0.000 1.035 326 V CA -0.604 61.662 62.300 -0.058 0.000 0.889 326 V CB 1.738 33.541 31.823 -0.034 0.000 0.988 326 V HN 0.437 nan 8.190 nan 0.000 0.440 327 I N 3.051 123.585 120.570 -0.060 0.000 2.619 327 I HA 0.421 4.590 4.170 -0.001 0.000 0.292 327 I C -0.218 175.892 176.117 -0.012 0.000 1.100 327 I CA -0.394 60.878 61.300 -0.046 0.000 1.043 327 I CB 2.236 40.199 38.000 -0.062 0.000 1.239 327 I HN 0.758 nan 8.210 nan 0.000 0.420 328 E N 4.665 124.870 120.200 0.009 0.000 2.174 328 E HA 0.413 4.763 4.350 -0.001 0.000 0.282 328 E C -0.593 176.032 176.600 0.043 0.000 0.992 328 E CA -0.356 56.060 56.400 0.026 0.000 0.803 328 E CB 1.208 30.927 29.700 0.032 0.000 1.090 328 E HN 0.680 nan 8.360 nan 0.000 0.396 329 T N 1.990 116.575 114.554 0.051 0.000 2.902 329 T HA 0.340 4.689 4.350 -0.001 0.000 0.280 329 T C -0.131 174.607 174.700 0.063 0.000 0.992 329 T CA -1.038 61.101 62.100 0.066 0.000 1.015 329 T CB 1.438 70.355 68.868 0.083 0.000 1.044 329 T HN 0.327 nan 8.240 nan 0.000 0.520 330 Q N 0.410 120.251 119.800 0.068 0.000 2.341 330 Q HA 0.545 4.884 4.340 -0.001 0.000 0.268 330 Q C 0.319 176.354 176.000 0.058 0.000 1.013 330 Q CA -0.309 55.532 55.803 0.062 0.000 0.798 330 Q CB 1.258 30.036 28.738 0.067 0.000 1.253 330 Q HN 1.208 nan 8.270 nan 0.000 0.457 331 A N 2.228 125.079 122.820 0.052 0.000 2.745 331 A HA -0.147 4.172 4.320 -0.001 0.000 0.296 331 A C 1.130 178.744 177.584 0.050 0.000 1.500 331 A CA 1.480 53.546 52.037 0.048 0.000 0.766 331 A CB -2.110 16.916 19.000 0.043 0.000 1.030 331 A HN 1.590 nan 8.150 nan 0.000 0.489 332 G N -1.284 107.550 108.800 0.057 0.000 2.148 332 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.254 332 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.254 332 G C -0.035 174.900 174.900 0.059 0.000 0.981 332 G CA 0.974 46.110 45.100 0.059 0.000 0.670 332 G HN 1.596 nan 8.290 nan 0.000 0.528 333 D N 0.875 121.314 120.400 0.065 0.000 2.517 333 D HA 0.389 5.028 4.640 -0.001 0.000 0.220 333 D C 1.934 178.285 176.300 0.085 0.000 1.158 333 D CA 0.259 54.300 54.000 0.068 0.000 0.992 333 D CB 0.410 41.251 40.800 0.069 0.000 1.058 333 D HN 0.571 nan 8.370 nan 0.000 0.516 334 V N 0.870 120.839 119.914 0.092 0.000 3.141 334 V HA -0.022 4.098 4.120 -0.001 0.000 0.265 334 V C 1.482 177.641 176.094 0.109 0.000 1.126 334 V CA 0.875 63.249 62.300 0.125 0.000 1.141 334 V CB -0.246 31.680 31.823 0.172 0.000 0.743 334 V HN 0.264 nan 8.190 nan 0.000 0.492 335 S N 0.485 116.239 115.700 0.091 0.000 2.556 335 S HA 0.607 5.076 4.470 -0.001 0.000 0.216 335 S C 1.147 175.816 174.600 0.114 0.000 0.970 335 S CA 0.291 58.547 58.200 0.094 0.000 0.912 335 S CB -0.059 63.184 63.200 0.073 0.000 0.790 335 S HN 0.885 nan 8.310 nan 0.000 0.504 336 A N 0.332 123.222 122.820 0.117 0.000 2.327 336 A HA 0.418 4.738 4.320 -0.001 0.000 0.255 336 A C 0.750 178.447 177.584 0.188 0.000 1.099 336 A CA -0.205 51.921 52.037 0.149 0.000 0.801 336 A CB -0.090 18.990 19.000 0.134 0.000 1.062 336 A HN 0.464 nan 8.150 nan 0.000 0.496 337 Y N 0.154 120.491 120.300 0.060 0.000 2.089 337 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 337 Y C 1.895 177.787 175.900 -0.012 0.000 1.139 337 Y CA 1.889 60.010 58.100 0.034 0.000 1.123 337 Y CB -0.025 38.466 38.460 0.051 0.000 0.980 337 Y HN 0.502 nan 8.280 nan 0.000 0.493 338 I N 0.582 121.015 120.570 -0.229 0.000 2.252 338 I HA -0.169 4.001 4.170 -0.001 0.000 0.245 338 I C -0.633 175.404 176.117 -0.133 0.000 1.102 338 I CA 1.158 62.267 61.300 -0.318 0.000 1.385 338 I CB -2.876 34.953 38.000 -0.284 0.000 1.064 338 I HN 0.208 nan 8.210 nan 0.000 0.414 339 P HA -0.123 nan 4.420 nan 0.000 0.215 339 P C 1.855 179.165 177.300 0.017 0.000 1.157 339 P CA 1.831 64.932 63.100 0.003 0.000 0.874 339 P CB -0.192 31.540 31.700 0.053 0.000 0.790 340 T N -0.494 114.082 114.554 0.038 0.000 2.665 340 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 340 T C 1.603 176.347 174.700 0.074 0.000 1.035 340 T CA 1.730 63.874 62.100 0.072 0.000 1.151 340 T CB -0.976 67.960 68.868 0.113 0.000 0.862 340 T HN 0.128 nan 8.240 nan 0.000 0.438 341 N N 0.795 119.501 118.700 0.010 0.000 2.039 341 N HA -0.066 4.673 4.740 -0.001 0.000 0.193 341 N C 1.984 177.502 175.510 0.013 0.000 1.044 341 N CA 0.973 54.084 53.050 0.101 0.000 0.847 341 N CB -0.879 37.579 38.487 -0.048 0.000 1.030 341 N HN 0.234 nan 8.380 nan 0.000 0.422 342 V N 1.377 121.254 119.914 -0.061 0.000 2.548 342 V HA -0.075 4.044 4.120 -0.001 0.000 0.249 342 V C 2.254 178.309 176.094 -0.065 0.000 1.055 342 V CA 0.812 63.045 62.300 -0.112 0.000 1.065 342 V CB -0.406 31.313 31.823 -0.173 0.000 0.681 342 V HN 0.203 nan 8.190 nan 0.000 0.462 343 I N 1.253 121.813 120.570 -0.017 0.000 2.127 343 I HA -0.270 3.899 4.170 -0.001 0.000 0.241 343 I C 2.744 178.885 176.117 0.039 0.000 1.075 343 I CA 2.102 63.409 61.300 0.011 0.000 1.334 343 I CB -0.380 37.663 38.000 0.072 0.000 1.040 343 I HN 0.500 nan 8.210 nan 0.000 0.405 344 S N 0.706 116.457 115.700 0.085 0.000 2.423 344 S HA -0.083 4.387 4.470 -0.001 0.000 0.231 344 S C 1.966 176.633 174.600 0.112 0.000 1.014 344 S CA 0.746 59.019 58.200 0.123 0.000 0.965 344 S CB -0.691 62.623 63.200 0.189 0.000 0.785 344 S HN 0.407 nan 8.310 nan 0.000 0.495 345 I N 2.371 122.975 120.570 0.057 0.000 2.252 345 I HA -0.076 4.093 4.170 -0.001 0.000 0.245 345 I C 1.712 177.819 176.117 -0.016 0.000 1.102 345 I CA 1.076 62.367 61.300 -0.015 0.000 1.385 345 I CB -0.889 37.006 38.000 -0.175 0.000 1.064 345 I HN 0.474 nan 8.210 nan 0.000 0.414 346 T N -2.180 112.356 114.554 -0.030 0.000 2.754 346 T HA 0.083 4.432 4.350 -0.001 0.000 0.286 346 T C 0.550 175.241 174.700 -0.015 0.000 0.997 346 T CA -0.525 61.553 62.100 -0.036 0.000 0.982 346 T CB 0.856 69.686 68.868 -0.063 0.000 1.027 346 T HN 0.031 nan 8.240 nan 0.000 0.529 347 D N -0.013 120.374 120.400 -0.020 0.000 2.339 347 D HA 0.340 4.979 4.640 -0.001 0.000 0.217 347 D C 0.924 177.217 176.300 -0.011 0.000 1.050 347 D CA 0.509 54.503 54.000 -0.009 0.000 0.856 347 D CB 0.250 41.044 40.800 -0.011 0.000 0.922 347 D HN 0.918 nan 8.370 nan 0.000 0.518 348 G N 0.091 108.873 108.800 -0.030 0.000 2.339 348 G HA2 0.301 4.260 3.960 -0.001 0.000 0.302 348 G HA3 0.301 4.260 3.960 -0.001 0.000 0.302 348 G C -1.897 172.935 174.900 -0.113 0.000 1.425 348 G CA -0.875 44.201 45.100 -0.039 0.000 0.899 348 G HN -0.063 nan 8.290 nan 0.000 0.619 349 Q N -0.819 118.873 119.800 -0.180 0.000 2.359 349 Q HA 0.690 5.030 4.340 -0.001 0.000 0.274 349 Q C -0.596 175.157 176.000 -0.411 0.000 1.074 349 Q CA -0.471 55.074 55.803 -0.430 0.000 0.810 349 Q CB 2.697 30.902 28.738 -0.889 0.000 1.342 349 Q HN 0.591 nan 8.270 nan 0.000 0.427 350 I N 2.857 123.209 120.570 -0.362 0.000 2.337 350 I HA 0.337 4.506 4.170 -0.001 0.000 0.285 350 I C -0.880 175.099 176.117 -0.231 0.000 1.041 350 I CA -0.396 60.786 61.300 -0.197 0.000 1.199 350 I CB 0.281 38.228 38.000 -0.088 0.000 1.370 350 I HN 0.461 nan 8.210 nan 0.000 0.470 351 F N 6.666 126.626 119.950 0.017 0.000 2.424 351 F HA 0.409 4.935 4.527 -0.001 0.000 0.356 351 F C 0.268 176.083 175.800 0.025 0.000 1.110 351 F CA -0.395 57.616 58.000 0.020 0.000 1.161 351 F CB 0.536 39.549 39.000 0.022 0.000 1.115 351 F HN 0.181 nan 8.300 nan 0.000 0.507 352 L N 3.510 124.841 121.223 0.180 0.000 2.334 352 L HA 0.580 4.919 4.340 -0.001 0.000 0.275 352 L C -0.409 176.536 176.870 0.125 0.000 1.036 352 L CA -0.759 54.157 54.840 0.127 0.000 0.807 352 L CB 1.727 43.830 42.059 0.072 0.000 1.231 352 L HN 0.583 nan 8.230 nan 0.000 0.438 353 E N 0.117 120.385 120.200 0.115 0.000 2.293 353 E HA 0.251 4.601 4.350 -0.001 0.000 0.270 353 E C -0.149 176.520 176.600 0.115 0.000 0.879 353 E CA -0.490 55.973 56.400 0.105 0.000 0.756 353 E CB 2.415 32.175 29.700 0.101 0.000 1.208 353 E HN 0.558 nan 8.360 nan 0.000 0.428 354 T N 1.044 115.662 114.554 0.106 0.000 2.788 354 T HA -0.218 4.132 4.350 -0.001 0.000 0.268 354 T C 1.618 176.479 174.700 0.268 0.000 1.044 354 T CA 1.767 63.956 62.100 0.148 0.000 1.139 354 T CB -0.029 68.941 68.868 0.170 0.000 0.867 354 T HN 0.665 nan 8.240 nan 0.000 0.454 355 E N 1.298 121.626 120.200 0.213 0.000 2.107 355 E HA -0.045 4.304 4.350 -0.001 0.000 0.191 355 E C 2.120 178.835 176.600 0.192 0.000 0.982 355 E CA 0.617 57.148 56.400 0.219 0.000 0.809 355 E CB -0.521 29.267 29.700 0.147 0.000 0.756 355 E HN 0.418 nan 8.360 nan 0.000 0.459 356 L N 0.079 121.393 121.223 0.152 0.000 2.042 356 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 356 L C 2.542 179.475 176.870 0.106 0.000 1.076 356 L CA 1.464 56.375 54.840 0.118 0.000 0.749 356 L CB -0.596 41.526 42.059 0.105 0.000 0.893 356 L HN 0.202 nan 8.230 nan 0.000 0.432 357 F N 0.051 119.974 119.950 -0.046 0.000 2.065 357 F HA -0.324 4.203 4.527 -0.001 0.000 0.298 357 F C 2.273 177.940 175.800 -0.221 0.000 1.112 357 F CA 1.811 59.699 58.000 -0.187 0.000 1.212 357 F CB -0.371 38.423 39.000 -0.344 0.000 0.975 357 F HN -0.050 nan 8.300 nan 0.000 0.476 358 Y N -0.314 120.121 120.300 0.225 0.000 2.516 358 Y HA -0.021 4.528 4.550 -0.001 0.000 0.291 358 Y C 2.100 178.020 175.900 0.033 0.000 1.131 358 Y CA 0.686 58.856 58.100 0.116 0.000 1.281 358 Y CB -0.355 38.206 38.460 0.168 0.000 1.013 358 Y HN -0.047 nan 8.280 nan 0.000 0.554 359 K N -0.278 120.214 120.400 0.154 0.000 2.442 359 K HA -0.019 4.300 4.320 -0.001 0.000 0.198 359 K C 1.525 178.139 176.600 0.022 0.000 1.042 359 K CA 0.859 57.199 56.287 0.088 0.000 0.958 359 K CB -0.239 32.313 32.500 0.086 0.000 0.766 359 K HN 0.479 nan 8.250 nan 0.000 0.474 360 G N 0.751 109.518 108.800 -0.055 0.000 2.194 360 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.236 360 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.236 360 G C 0.077 174.902 174.900 -0.125 0.000 0.987 360 G CA -0.300 44.731 45.100 -0.114 0.000 0.635 360 G HN 0.128 nan 8.290 nan 0.000 0.520 361 I N 2.063 122.583 120.570 -0.083 0.000 2.460 361 I HA 0.295 4.464 4.170 -0.001 0.000 0.297 361 I C 0.764 176.815 176.117 -0.110 0.000 1.139 361 I CA 0.664 61.931 61.300 -0.054 0.000 1.340 361 I CB -0.701 37.305 38.000 0.010 0.000 1.444 361 I HN 0.183 nan 8.210 nan 0.000 0.557 362 R N 7.453 127.872 120.500 -0.135 0.000 2.514 362 R HA 0.392 4.731 4.340 -0.001 0.000 0.296 362 R C -2.601 173.652 176.300 -0.078 0.000 1.012 362 R CA -1.659 54.349 56.100 -0.155 0.000 0.897 362 R CB 2.526 32.620 30.300 -0.342 0.000 1.184 362 R HN 0.272 nan 8.270 nan 0.000 0.440 363 P HA -0.029 nan 4.420 nan 0.000 0.266 363 P C -0.101 177.225 177.300 0.043 0.000 1.195 363 P CA 0.010 63.119 63.100 0.014 0.000 0.768 363 P CB 0.859 32.567 31.700 0.013 0.000 0.838 364 A N 4.324 127.213 122.820 0.114 0.000 2.426 364 A HA 0.120 4.439 4.320 -0.001 0.000 0.247 364 A C 0.892 178.542 177.584 0.109 0.000 1.389 364 A CA -0.277 51.841 52.037 0.136 0.000 1.129 364 A CB -1.424 17.733 19.000 0.261 0.000 0.928 364 A HN 0.502 nan 8.150 nan 0.000 0.557 365 I N 1.138 121.759 120.570 0.085 0.000 2.533 365 I HA -0.019 4.150 4.170 -0.001 0.000 0.284 365 I C 0.554 176.732 176.117 0.102 0.000 1.109 365 I CA -0.277 61.078 61.300 0.092 0.000 1.412 365 I CB 0.389 38.430 38.000 0.069 0.000 1.396 365 I HN 0.274 nan 8.210 nan 0.000 0.543 366 N N 6.448 125.227 118.700 0.132 0.000 2.402 366 N HA 0.058 4.798 4.740 -0.001 0.000 0.252 366 N C 0.556 176.138 175.510 0.120 0.000 1.118 366 N CA 0.103 53.221 53.050 0.114 0.000 0.945 366 N CB 1.468 40.014 38.487 0.098 0.000 1.147 366 N HN 0.419 nan 8.380 nan 0.000 0.495 367 V N 3.462 123.430 119.914 0.089 0.000 2.719 367 V HA -0.016 4.103 4.120 -0.001 0.000 0.252 367 V C 2.115 178.253 176.094 0.073 0.000 1.065 367 V CA 1.804 64.153 62.300 0.082 0.000 1.086 367 V CB -0.420 31.445 31.823 0.069 0.000 0.700 367 V HN 0.780 nan 8.190 nan 0.000 0.467 368 G N -0.505 108.328 108.800 0.055 0.000 2.422 368 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.218 368 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.218 368 G C 1.486 176.400 174.900 0.024 0.000 1.140 368 G CA 0.662 45.779 45.100 0.029 0.000 0.775 368 G HN 0.481 nan 8.290 nan 0.000 0.545 369 L N 0.324 121.563 121.223 0.028 0.000 2.425 369 L HA 0.208 4.548 4.340 -0.001 0.000 0.215 369 L C 1.158 178.188 176.870 0.266 0.000 1.065 369 L CA -0.132 54.695 54.840 -0.023 0.000 0.842 369 L CB 0.005 41.850 42.059 -0.357 0.000 1.033 369 L HN -0.014 nan 8.230 nan 0.000 0.474 370 S N 0.155 116.084 115.700 0.382 0.000 2.568 370 S HA 0.281 4.751 4.470 -0.001 0.000 0.282 370 S C -0.292 174.427 174.600 0.198 0.000 1.338 370 S CA -0.086 58.335 58.200 0.368 0.000 1.045 370 S CB 1.847 65.171 63.200 0.208 0.000 0.873 370 S HN 0.056 nan 8.310 nan 0.000 0.516 371 V N 1.884 121.876 119.914 0.131 0.000 2.969 371 V HA 0.672 4.791 4.120 -0.001 0.000 0.304 371 V C -0.995 175.118 176.094 0.031 0.000 1.192 371 V CA -0.498 61.851 62.300 0.082 0.000 0.962 371 V CB 2.489 34.374 31.823 0.104 0.000 1.045 371 V HN 0.804 nan 8.190 nan 0.000 0.428 372 S N 5.284 120.997 115.700 0.023 0.000 2.498 372 S HA 0.553 5.022 4.470 -0.001 0.000 0.317 372 S C 0.646 175.254 174.600 0.013 0.000 1.090 372 S CA -0.668 57.536 58.200 0.007 0.000 1.089 372 S CB 1.479 64.679 63.200 0.000 0.000 0.997 372 S HN 0.805 nan 8.310 nan 0.000 0.470 373 R N 3.012 123.519 120.500 0.011 0.000 2.240 373 R HA 0.041 4.380 4.340 -0.001 0.000 0.203 373 R C 1.620 177.925 176.300 0.008 0.000 1.011 373 R CA 0.660 56.768 56.100 0.014 0.000 1.007 373 R CB -0.219 30.091 30.300 0.017 0.000 0.911 373 R HN 0.529 nan 8.270 nan 0.000 0.468 374 V N 0.389 120.304 119.914 0.002 0.000 2.244 374 V HA -0.093 4.027 4.120 -0.001 0.000 0.244 374 V C 1.706 177.799 176.094 -0.001 0.000 1.042 374 V CA 1.973 64.272 62.300 -0.002 0.000 1.006 374 V CB -0.892 30.926 31.823 -0.008 0.000 0.641 374 V HN 0.689 nan 8.190 nan 0.000 0.446 375 G N -0.379 108.420 108.800 -0.001 0.000 2.514 375 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.265 375 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.265 375 G C 0.997 175.896 174.900 -0.002 0.000 1.150 375 G CA 0.457 45.558 45.100 0.002 0.000 0.959 375 G HN 0.346 nan 8.290 nan 0.000 0.556 376 S N 0.689 116.389 115.700 0.000 0.000 2.380 376 S HA -0.112 4.358 4.470 -0.001 0.000 0.229 376 S C 2.849 177.445 174.600 -0.007 0.000 1.043 376 S CA 2.648 60.847 58.200 -0.002 0.000 1.038 376 S CB -0.812 62.388 63.200 0.000 0.000 0.872 376 S HN 1.813 nan 8.310 nan 0.000 0.456 377 A N 0.592 123.407 122.820 -0.007 0.000 2.093 377 A HA -0.001 4.318 4.320 -0.001 0.000 0.222 377 A C 1.898 179.470 177.584 -0.020 0.000 1.162 377 A CA 1.773 53.803 52.037 -0.011 0.000 0.655 377 A CB -0.556 18.438 19.000 -0.008 0.000 0.805 377 A HN 0.577 nan 8.150 nan 0.000 0.461 378 A N -1.658 121.149 122.820 -0.021 0.000 2.465 378 A HA 0.413 4.733 4.320 -0.001 0.000 0.255 378 A C 0.608 178.172 177.584 -0.034 0.000 1.274 378 A CA -0.263 51.754 52.037 -0.033 0.000 0.920 378 A CB 0.091 19.072 19.000 -0.032 0.000 1.033 378 A HN 0.579 nan 8.150 nan 0.000 0.516 379 Q N 0.534 120.320 119.800 -0.024 0.000 2.257 379 Q HA 0.460 4.799 4.340 -0.001 0.000 0.262 379 Q C -0.137 175.850 176.000 -0.023 0.000 0.997 379 Q CA -0.534 55.257 55.803 -0.020 0.000 0.873 379 Q CB 1.704 30.437 28.738 -0.008 0.000 1.312 379 Q HN 0.467 nan 8.270 nan 0.000 0.450 380 T N -1.555 112.986 114.554 -0.021 0.000 2.882 380 T HA 0.252 4.602 4.350 -0.001 0.000 0.287 380 T C 0.939 175.634 174.700 -0.007 0.000 1.014 380 T CA -0.618 61.470 62.100 -0.020 0.000 1.049 380 T CB 1.033 69.889 68.868 -0.020 0.000 1.001 380 T HN 0.562 nan 8.240 nan 0.000 0.525 381 R N 0.924 121.421 120.500 -0.006 0.000 2.105 381 R HA -0.117 4.223 4.340 -0.001 0.000 0.239 381 R C 2.702 179.008 176.300 0.010 0.000 1.135 381 R CA 1.360 57.461 56.100 0.002 0.000 0.967 381 R CB -0.918 29.382 30.300 0.001 0.000 0.861 381 R HN 0.845 nan 8.270 nan 0.000 0.442 382 A N 1.188 124.014 122.820 0.010 0.000 1.865 382 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 382 A C 2.134 179.735 177.584 0.028 0.000 1.191 382 A CA 1.654 53.703 52.037 0.020 0.000 0.623 382 A CB -0.446 18.562 19.000 0.014 0.000 0.826 382 A HN 0.224 nan 8.150 nan 0.000 0.444 383 M N -0.170 119.443 119.600 0.022 0.000 2.086 383 M HA -0.081 4.398 4.480 -0.001 0.000 0.261 383 M C 1.905 178.218 176.300 0.022 0.000 1.067 383 M CA 2.114 57.429 55.300 0.024 0.000 1.116 383 M CB -0.649 31.962 32.600 0.017 0.000 1.348 383 M HN 0.407 nan 8.290 nan 0.000 0.407 384 K N -0.452 119.956 120.400 0.014 0.000 2.052 384 K HA -0.322 3.997 4.320 -0.001 0.000 0.215 384 K C 2.145 178.754 176.600 0.015 0.000 1.053 384 K CA 2.425 58.719 56.287 0.011 0.000 0.934 384 K CB -0.329 32.174 32.500 0.006 0.000 0.717 384 K HN 0.612 nan 8.250 nan 0.000 0.450 385 Q N 0.140 119.952 119.800 0.021 0.000 1.895 385 Q HA -0.200 4.139 4.340 -0.001 0.000 0.217 385 Q C 1.980 177.996 176.000 0.027 0.000 1.003 385 Q CA 2.994 58.812 55.803 0.026 0.000 0.871 385 Q CB -0.210 28.552 28.738 0.039 0.000 0.941 385 Q HN 0.342 nan 8.270 nan 0.000 0.421 386 V N -1.523 118.416 119.914 0.041 0.000 2.594 386 V HA -0.132 3.987 4.120 -0.001 0.000 0.253 386 V C 2.044 178.150 176.094 0.020 0.000 1.069 386 V CA 1.830 64.153 62.300 0.038 0.000 1.082 386 V CB -1.431 30.436 31.823 0.073 0.000 0.680 386 V HN 0.480 nan 8.190 nan 0.000 0.469 387 A N 1.288 124.120 122.820 0.021 0.000 1.929 387 A HA 0.169 4.488 4.320 -0.001 0.000 0.216 387 A C 2.377 179.966 177.584 0.009 0.000 1.176 387 A CA 1.520 53.566 52.037 0.015 0.000 0.628 387 A CB -1.327 17.683 19.000 0.017 0.000 0.816 387 A HN 0.662 nan 8.150 nan 0.000 0.444 388 G N -0.725 108.079 108.800 0.007 0.000 2.418 388 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.217 388 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.217 388 G C 1.557 176.455 174.900 -0.003 0.000 1.158 388 G CA 1.696 46.798 45.100 0.003 0.000 0.771 388 G HN 0.430 nan 8.290 nan 0.000 0.545 389 T N 0.722 115.270 114.554 -0.009 0.000 2.777 389 T HA -0.054 4.296 4.350 -0.001 0.000 0.266 389 T C 2.284 176.970 174.700 -0.024 0.000 1.040 389 T CA 1.209 63.295 62.100 -0.022 0.000 1.141 389 T CB -0.171 68.676 68.868 -0.036 0.000 0.868 389 T HN 0.208 nan 8.240 nan 0.000 0.444 390 M N 0.892 120.481 119.600 -0.018 0.000 2.086 390 M HA -0.120 4.359 4.480 -0.001 0.000 0.261 390 M C 2.393 178.692 176.300 -0.002 0.000 1.067 390 M CA 1.656 56.947 55.300 -0.016 0.000 1.116 390 M CB -0.162 32.434 32.600 -0.008 0.000 1.348 390 M HN 0.082 nan 8.290 nan 0.000 0.407 391 K N 0.156 120.559 120.400 0.005 0.000 2.032 391 K HA -0.245 4.075 4.320 -0.001 0.000 0.209 391 K C 1.923 178.530 176.600 0.013 0.000 1.048 391 K CA 1.765 58.060 56.287 0.014 0.000 0.927 391 K CB -0.366 32.142 32.500 0.014 0.000 0.712 391 K HN 0.313 nan 8.250 nan 0.000 0.441 392 L N 1.769 122.994 121.223 0.003 0.000 1.994 392 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 392 L C 1.847 178.718 176.870 0.003 0.000 1.071 392 L CA 1.898 56.738 54.840 -0.000 0.000 0.745 392 L CB -0.380 41.673 42.059 -0.009 0.000 0.892 392 L HN 0.220 nan 8.230 nan 0.000 0.431 393 E N -0.768 119.429 120.200 -0.004 0.000 2.150 393 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 393 E C 2.268 178.890 176.600 0.036 0.000 0.985 393 E CA 1.144 57.542 56.400 -0.004 0.000 0.814 393 E CB -0.150 29.528 29.700 -0.037 0.000 0.752 393 E HN 0.512 nan 8.360 nan 0.000 0.466 394 L N 0.229 121.478 121.223 0.045 0.000 2.056 394 L HA -0.130 4.210 4.340 -0.001 0.000 0.207 394 L C 2.518 179.461 176.870 0.123 0.000 1.078 394 L CA 0.877 55.785 54.840 0.112 0.000 0.749 394 L CB -0.368 41.739 42.059 0.081 0.000 0.901 394 L HN 0.160 nan 8.230 nan 0.000 0.433 395 A N -0.364 122.491 122.820 0.058 0.000 1.902 395 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 395 A C 2.192 179.783 177.584 0.011 0.000 1.181 395 A CA 1.490 53.544 52.037 0.027 0.000 0.623 395 A CB -0.464 18.544 19.000 0.013 0.000 0.818 395 A HN 0.465 nan 8.150 nan 0.000 0.443 396 Q N -1.998 117.812 119.800 0.017 0.000 2.124 396 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 396 Q C 2.004 178.010 176.000 0.010 0.000 0.977 396 Q CA 1.749 57.549 55.803 -0.005 0.000 0.850 396 Q CB -0.385 28.350 28.738 -0.006 0.000 0.901 396 Q HN 0.837 nan 8.270 nan 0.000 0.429 397 Y N 1.499 121.758 120.300 -0.068 0.000 2.145 397 Y HA -0.197 4.352 4.550 -0.001 0.000 0.286 397 Y C 2.073 177.934 175.900 -0.065 0.000 1.145 397 Y CA 1.539 59.598 58.100 -0.068 0.000 1.148 397 Y CB -0.123 38.310 38.460 -0.046 0.000 0.981 397 Y HN -0.117 nan 8.280 nan 0.000 0.507 398 R N 0.214 120.595 120.500 -0.198 0.000 2.127 398 R HA -0.190 4.149 4.340 -0.001 0.000 0.238 398 R C 2.141 178.305 176.300 -0.228 0.000 1.134 398 R CA 1.871 57.811 56.100 -0.267 0.000 0.975 398 R CB -0.210 30.031 30.300 -0.100 0.000 0.865 398 R HN 0.533 nan 8.270 nan 0.000 0.447 399 E N -0.524 119.567 120.200 -0.181 0.000 2.106 399 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 399 E C 1.445 177.874 176.600 -0.286 0.000 0.984 399 E CA 1.200 57.499 56.400 -0.169 0.000 0.806 399 E CB 0.282 29.898 29.700 -0.140 0.000 0.750 399 E HN 0.123 nan 8.360 nan 0.000 0.458 400 V N 0.379 120.044 119.914 -0.414 0.000 3.621 400 V HA 0.146 4.265 4.120 -0.001 0.000 0.285 400 V C 1.865 177.755 176.094 -0.341 0.000 1.346 400 V CA 0.696 62.565 62.300 -0.718 0.000 1.104 400 V CB 0.239 31.697 31.823 -0.608 0.000 0.913 400 V HN 0.219 nan 8.190 nan 0.000 0.432 401 A N 0.976 123.593 122.820 -0.340 0.000 2.032 401 A HA -0.152 4.167 4.320 -0.001 0.000 0.221 401 A C 2.228 179.806 177.584 -0.010 0.000 1.165 401 A CA 2.135 53.954 52.037 -0.363 0.000 0.645 401 A CB -0.314 18.334 19.000 -0.586 0.000 0.807 401 A HN 0.631 nan 8.150 nan 0.000 0.453 402 A N -1.855 121.067 122.820 0.171 0.000 2.218 402 A HA 0.359 4.678 4.320 -0.001 0.000 0.209 402 A C 1.520 179.319 177.584 0.358 0.000 1.168 402 A CA 0.178 52.361 52.037 0.244 0.000 0.804 402 A CB -0.534 18.566 19.000 0.166 0.000 0.834 402 A HN 0.526 nan 8.150 nan 0.000 0.482 403 F N -0.558 119.414 119.950 0.037 0.000 2.811 403 F HA 0.124 4.650 4.527 -0.001 0.000 0.301 403 F C 2.351 178.208 175.800 0.095 0.000 1.151 403 F CA -0.005 58.035 58.000 0.067 0.000 1.412 403 F CB 0.093 39.115 39.000 0.036 0.000 1.113 403 F HN 0.316 nan 8.300 nan 0.000 0.579 404 A N 0.721 123.710 122.820 0.282 0.000 1.824 404 A HA -0.177 4.142 4.320 -0.001 0.000 0.215 404 A C 2.025 179.685 177.584 0.125 0.000 1.244 404 A CA 1.059 53.208 52.037 0.187 0.000 0.604 404 A CB -0.815 18.287 19.000 0.170 0.000 0.900 404 A HN 0.313 nan 8.150 nan 0.000 0.455 405 Q N -1.598 118.263 119.800 0.102 0.000 2.291 405 Q HA -0.071 4.268 4.340 -0.001 0.000 0.206 405 Q C -0.076 175.740 176.000 -0.308 0.000 0.976 405 Q CA 0.973 56.721 55.803 -0.091 0.000 0.875 405 Q CB -0.123 28.544 28.738 -0.119 0.000 0.927 405 Q HN 0.667 nan 8.270 nan 0.000 0.450 406 F N -0.382 119.583 119.950 0.026 0.000 2.928 406 F HA 0.393 4.919 4.527 -0.001 0.000 0.337 406 F C 0.382 176.182 175.800 0.001 0.000 1.259 406 F CA -0.567 57.432 58.000 -0.002 0.000 1.267 406 F CB 1.313 40.294 39.000 -0.033 0.000 0.986 406 F HN -0.195 nan 8.300 nan 0.000 0.507 407 G N -0.803 108.067 108.800 0.117 0.000 2.719 407 G HA2 0.441 4.400 3.960 -0.001 0.000 0.284 407 G HA3 0.441 4.400 3.960 -0.001 0.000 0.284 407 G C -0.145 174.792 174.900 0.062 0.000 1.488 407 G CA -0.369 44.794 45.100 0.105 0.000 1.139 407 G HN 0.133 nan 8.290 nan 0.000 0.552 408 S N 1.101 116.829 115.700 0.047 0.000 2.670 408 S HA 0.091 4.560 4.470 -0.001 0.000 0.241 408 S C 0.334 174.954 174.600 0.034 0.000 1.077 408 S CA 0.031 58.249 58.200 0.030 0.000 0.899 408 S CB 0.526 63.734 63.200 0.014 0.000 0.835 408 S HN 0.556 nan 8.310 nan 0.000 0.481 409 D N 2.178 122.602 120.400 0.040 0.000 3.139 409 D HA 0.428 5.068 4.640 -0.001 0.000 0.268 409 D C -0.887 175.444 176.300 0.051 0.000 1.322 409 D CA -0.142 53.880 54.000 0.037 0.000 0.940 409 D CB -0.005 40.812 40.800 0.029 0.000 1.050 409 D HN 0.171 nan 8.370 nan 0.000 0.503 410 L N 0.889 122.149 121.223 0.061 0.000 2.360 410 L HA 0.336 4.675 4.340 -0.001 0.000 0.271 410 L C 0.741 177.643 176.870 0.054 0.000 1.057 410 L CA -1.128 53.760 54.840 0.079 0.000 0.803 410 L CB 0.654 42.773 42.059 0.101 0.000 1.207 410 L HN 0.104 nan 8.230 nan 0.000 0.445 411 D N 1.108 121.541 120.400 0.054 0.000 2.362 411 D HA 0.091 4.731 4.640 -0.001 0.000 0.242 411 D C 0.817 177.132 176.300 0.024 0.000 1.132 411 D CA -0.048 53.972 54.000 0.034 0.000 0.907 411 D CB 1.506 42.324 40.800 0.031 0.000 1.195 411 D HN 0.623 nan 8.370 nan 0.000 0.429 412 A N 1.861 124.688 122.820 0.012 0.000 2.019 412 A HA -0.011 4.308 4.320 -0.001 0.000 0.219 412 A C 2.167 179.748 177.584 -0.005 0.000 1.164 412 A CA 1.855 53.894 52.037 0.003 0.000 0.644 412 A CB -0.748 18.250 19.000 -0.003 0.000 0.805 412 A HN 0.732 nan 8.150 nan 0.000 0.449 413 A N -0.170 122.647 122.820 -0.005 0.000 1.877 413 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 413 A C 2.432 180.005 177.584 -0.019 0.000 1.186 413 A CA 2.463 54.492 52.037 -0.015 0.000 0.620 413 A CB -1.234 17.758 19.000 -0.014 0.000 0.822 413 A HN 0.790 nan 8.150 nan 0.000 0.443 414 T N -3.174 111.372 114.554 -0.012 0.000 3.043 414 T HA -0.007 4.342 4.350 -0.001 0.000 0.263 414 T C 1.779 176.480 174.700 0.002 0.000 1.094 414 T CA 1.068 63.152 62.100 -0.027 0.000 1.127 414 T CB -0.201 68.641 68.868 -0.044 0.000 0.905 414 T HN 0.538 nan 8.240 nan 0.000 0.490 415 Q N 0.424 120.233 119.800 0.016 0.000 2.119 415 Q HA -0.147 4.192 4.340 -0.001 0.000 0.201 415 Q C 2.458 178.460 176.000 0.003 0.000 0.972 415 Q CA 1.645 57.461 55.803 0.021 0.000 0.847 415 Q CB -0.175 28.573 28.738 0.017 0.000 0.903 415 Q HN 0.546 nan 8.270 nan 0.000 0.433 416 Q N 1.032 120.824 119.800 -0.013 0.000 2.046 416 Q HA -0.110 4.229 4.340 -0.001 0.000 0.200 416 Q C 1.836 177.817 176.000 -0.033 0.000 0.975 416 Q CA 1.417 57.201 55.803 -0.032 0.000 0.836 416 Q CB -0.335 28.380 28.738 -0.039 0.000 0.896 416 Q HN 0.376 nan 8.270 nan 0.000 0.428 417 L N -0.205 121.007 121.223 -0.017 0.000 2.079 417 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 417 L C 2.438 179.347 176.870 0.065 0.000 1.081 417 L CA 1.011 55.854 54.840 0.005 0.000 0.752 417 L CB -0.514 41.542 42.059 -0.005 0.000 0.896 417 L HN 0.278 nan 8.230 nan 0.000 0.433 418 L N -1.093 120.184 121.223 0.090 0.000 2.005 418 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 418 L C 2.769 179.631 176.870 -0.013 0.000 1.072 418 L CA 1.181 56.125 54.840 0.174 0.000 0.744 418 L CB -0.469 41.682 42.059 0.154 0.000 0.895 418 L HN 0.169 nan 8.230 nan 0.000 0.433 419 S N -0.413 115.264 115.700 -0.038 0.000 2.353 419 S HA -0.256 4.213 4.470 -0.001 0.000 0.222 419 S C 2.048 176.555 174.600 -0.155 0.000 1.035 419 S CA 1.624 59.772 58.200 -0.087 0.000 1.025 419 S CB -0.313 62.848 63.200 -0.065 0.000 0.902 419 S HN 0.260 nan 8.310 nan 0.000 0.440 420 R N 1.479 121.890 120.500 -0.148 0.000 2.096 420 R HA -0.023 4.316 4.340 -0.001 0.000 0.235 420 R C 2.217 178.356 176.300 -0.268 0.000 1.127 420 R CA 1.803 57.798 56.100 -0.175 0.000 0.968 420 R CB -1.235 28.985 30.300 -0.132 0.000 0.861 420 R HN 0.381 nan 8.270 nan 0.000 0.440 421 G N -0.139 108.418 108.800 -0.405 0.000 2.433 421 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.216 421 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.216 421 G C 1.443 175.724 174.900 -1.031 0.000 1.186 421 G CA 1.248 45.797 45.100 -0.918 0.000 0.779 421 G HN 0.355 nan 8.290 nan 0.000 0.543 422 V N -0.938 118.490 119.914 -0.810 0.000 2.594 422 V HA -0.013 4.106 4.120 -0.001 0.000 0.253 422 V C 2.555 178.495 176.094 -0.257 0.000 1.069 422 V CA 2.150 64.196 62.300 -0.423 0.000 1.082 422 V CB -0.563 31.153 31.823 -0.178 0.000 0.680 422 V HN 0.282 nan 8.190 nan 0.000 0.469 423 R N -0.139 120.213 120.500 -0.248 0.000 2.100 423 R HA 0.292 4.631 4.340 -0.001 0.000 0.220 423 R C 2.313 178.521 176.300 -0.153 0.000 1.091 423 R CA 1.367 57.361 56.100 -0.176 0.000 0.986 423 R CB -0.402 29.792 30.300 -0.175 0.000 0.888 423 R HN 0.480 nan 8.270 nan 0.000 0.444 424 L N -0.265 120.854 121.223 -0.173 0.000 2.093 424 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 424 L C 2.133 178.950 176.870 -0.088 0.000 1.085 424 L CA 1.269 56.038 54.840 -0.118 0.000 0.755 424 L CB -0.576 41.415 42.059 -0.113 0.000 0.904 424 L HN 0.205 nan 8.230 nan 0.000 0.435 425 T N -0.768 113.715 114.554 -0.118 0.000 2.720 425 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 425 T C 1.778 176.455 174.700 -0.038 0.000 1.037 425 T CA 1.285 63.350 62.100 -0.058 0.000 1.144 425 T CB -0.148 68.685 68.868 -0.058 0.000 0.864 425 T HN 0.311 nan 8.240 nan 0.000 0.444 426 E N 0.960 121.128 120.200 -0.054 0.000 2.150 426 E HA 0.017 4.366 4.350 -0.001 0.000 0.193 426 E C 2.215 178.807 176.600 -0.014 0.000 0.985 426 E CA 0.646 57.027 56.400 -0.031 0.000 0.814 426 E CB -0.311 29.366 29.700 -0.037 0.000 0.752 426 E HN 0.481 nan 8.360 nan 0.000 0.466 427 L N 0.331 121.542 121.223 -0.021 0.000 2.376 427 L HA -0.044 4.295 4.340 -0.001 0.000 0.219 427 L C 2.248 179.123 176.870 0.009 0.000 1.133 427 L CA 0.323 55.165 54.840 0.003 0.000 0.816 427 L CB -0.153 41.904 42.059 -0.003 0.000 0.933 427 L HN 0.077 nan 8.230 nan 0.000 0.449 428 L N -0.678 120.545 121.223 0.000 0.000 2.418 428 L HA -0.008 4.331 4.340 -0.001 0.000 0.218 428 L C 0.919 177.790 176.870 0.002 0.000 1.125 428 L CA 0.210 55.054 54.840 0.006 0.000 0.835 428 L CB -0.170 41.895 42.059 0.009 0.000 0.953 428 L HN 0.119 nan 8.230 nan 0.000 0.454 429 K N 1.379 121.776 120.400 -0.004 0.000 2.485 429 K HA 0.097 4.417 4.320 -0.001 0.000 0.277 429 K C -0.107 176.486 176.600 -0.011 0.000 0.990 429 K CA 0.508 56.785 56.287 -0.016 0.000 0.994 429 K CB 0.488 32.976 32.500 -0.020 0.000 0.906 429 K HN 0.020 nan 8.250 nan 0.000 0.488 430 Q N 0.411 120.195 119.800 -0.025 0.000 2.386 430 Q HA 0.319 4.658 4.340 -0.001 0.000 0.274 430 Q C -0.886 175.088 176.000 -0.043 0.000 1.011 430 Q CA -0.623 55.166 55.803 -0.023 0.000 0.867 430 Q CB 1.797 30.523 28.738 -0.020 0.000 1.409 430 Q HN 0.770 nan 8.270 nan 0.000 0.395 431 G N 1.573 110.352 108.800 -0.034 0.000 2.606 431 G HA2 0.178 4.137 3.960 -0.001 0.000 0.252 431 G HA3 0.178 4.137 3.960 -0.001 0.000 0.252 431 G C -0.696 174.148 174.900 -0.093 0.000 1.206 431 G CA -0.195 44.877 45.100 -0.046 0.000 0.861 431 G HN 0.607 nan 8.290 nan 0.000 0.561 432 Q N -1.029 118.673 119.800 -0.163 0.000 2.306 432 Q HA 0.325 4.664 4.340 -0.001 0.000 0.241 432 Q C -0.315 175.504 176.000 -0.302 0.000 0.948 432 Q CA -0.421 55.132 55.803 -0.417 0.000 0.886 432 Q CB 0.458 28.745 28.738 -0.753 0.000 1.227 432 Q HN 0.660 nan 8.270 nan 0.000 0.457 433 Y N -0.870 119.429 120.300 -0.002 0.000 4.798 433 Y HA -0.293 4.256 4.550 -0.001 0.000 0.237 433 Y C -0.091 175.800 175.900 -0.015 0.000 1.017 433 Y CA 0.549 58.643 58.100 -0.011 0.000 2.010 433 Y CB -2.149 36.303 38.460 -0.013 0.000 1.582 433 Y HN 0.464 nan 8.280 nan 0.000 0.621 434 S N -0.554 115.184 115.700 0.062 0.000 2.158 434 S HA 0.457 4.926 4.470 -0.001 0.000 0.160 434 S C -2.371 172.229 174.600 0.000 0.000 1.693 434 S CA -1.190 57.029 58.200 0.032 0.000 1.251 434 S CB 1.530 64.747 63.200 0.028 0.000 1.153 434 S HN 0.081 nan 8.310 nan 0.000 0.439 435 P HA 0.317 nan 4.420 nan 0.000 0.272 435 P C -0.615 176.668 177.300 -0.029 0.000 1.223 435 P CA -0.346 62.745 63.100 -0.015 0.000 0.784 435 P CB 0.651 32.343 31.700 -0.013 0.000 0.923 436 M N 1.201 120.787 119.600 -0.023 0.000 2.537 436 M HA 0.530 5.009 4.480 -0.001 0.000 0.324 436 M C 0.467 176.749 176.300 -0.031 0.000 1.187 436 M CA -0.893 54.389 55.300 -0.030 0.000 0.993 436 M CB 1.905 34.496 32.600 -0.015 0.000 1.666 436 M HN 0.325 nan 8.290 nan 0.000 0.461 437 A N 1.228 124.020 122.820 -0.047 0.000 2.407 437 A HA 0.232 4.551 4.320 -0.001 0.000 0.248 437 A C 0.910 178.499 177.584 0.009 0.000 1.082 437 A CA -0.377 51.643 52.037 -0.029 0.000 0.785 437 A CB 0.062 19.030 19.000 -0.053 0.000 1.020 437 A HN 0.951 nan 8.150 nan 0.000 0.489 438 I N 0.725 121.322 120.570 0.046 0.000 2.264 438 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 438 I C 2.464 178.593 176.117 0.020 0.000 1.111 438 I CA 2.370 63.695 61.300 0.040 0.000 1.382 438 I CB -0.202 37.829 38.000 0.051 0.000 1.060 438 I HN 0.840 nan 8.210 nan 0.000 0.418 439 E N 0.235 120.440 120.200 0.008 0.000 2.152 439 E HA -0.238 4.111 4.350 -0.001 0.000 0.192 439 E C 1.780 178.366 176.600 -0.023 0.000 0.983 439 E CA 1.304 57.698 56.400 -0.010 0.000 0.818 439 E CB -0.679 29.007 29.700 -0.023 0.000 0.758 439 E HN 0.629 nan 8.360 nan 0.000 0.467 440 E N 0.960 121.142 120.200 -0.030 0.000 2.106 440 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 440 E C 2.295 178.897 176.600 0.004 0.000 0.984 440 E CA 1.118 57.494 56.400 -0.040 0.000 0.806 440 E CB -0.027 29.640 29.700 -0.054 0.000 0.750 440 E HN 0.391 nan 8.360 nan 0.000 0.458 441 Q N 0.270 120.080 119.800 0.017 0.000 2.046 441 Q HA -0.137 4.203 4.340 -0.001 0.000 0.200 441 Q C 2.642 178.679 176.000 0.061 0.000 0.975 441 Q CA 1.827 57.652 55.803 0.038 0.000 0.836 441 Q CB -0.253 28.504 28.738 0.031 0.000 0.896 441 Q HN 0.341 nan 8.270 nan 0.000 0.428 442 V N -1.476 118.471 119.914 0.055 0.000 2.407 442 V HA -0.154 3.966 4.120 -0.001 0.000 0.248 442 V C 2.166 178.335 176.094 0.125 0.000 1.055 442 V CA 1.723 64.071 62.300 0.080 0.000 1.049 442 V CB -1.139 30.719 31.823 0.059 0.000 0.662 442 V HN 0.274 nan 8.190 nan 0.000 0.455 443 A N 0.316 123.192 122.820 0.093 0.000 1.902 443 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 443 A C 2.399 180.166 177.584 0.305 0.000 1.181 443 A CA 2.244 54.363 52.037 0.137 0.000 0.623 443 A CB -0.887 18.136 19.000 0.039 0.000 0.818 443 A HN 0.472 nan 8.150 nan 0.000 0.443 444 V N -0.002 120.062 119.914 0.250 0.000 2.307 444 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 444 V C 2.423 178.615 176.094 0.163 0.000 1.045 444 V CA 2.050 64.497 62.300 0.245 0.000 1.024 444 V CB -0.621 31.306 31.823 0.173 0.000 0.651 444 V HN 0.569 nan 8.190 nan 0.000 0.449 445 I N -1.014 119.636 120.570 0.133 0.000 2.286 445 I HA -0.294 3.876 4.170 -0.001 0.000 0.248 445 I C 2.367 178.550 176.117 0.110 0.000 1.115 445 I CA 1.898 63.252 61.300 0.090 0.000 1.392 445 I CB -0.472 37.569 38.000 0.067 0.000 1.065 445 I HN 0.380 nan 8.210 nan 0.000 0.418 446 Y N 1.789 122.115 120.300 0.043 0.000 2.102 446 Y HA -0.417 4.132 4.550 -0.001 0.000 0.280 446 Y C 2.544 178.488 175.900 0.072 0.000 1.178 446 Y CA 1.872 60.006 58.100 0.057 0.000 1.146 446 Y CB -0.357 38.147 38.460 0.072 0.000 0.968 446 Y HN 0.156 nan 8.280 nan 0.000 0.504 447 A N 0.035 123.002 122.820 0.245 0.000 1.948 447 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 447 A C 2.419 179.998 177.584 -0.007 0.000 1.177 447 A CA 1.996 54.101 52.037 0.113 0.000 0.636 447 A CB -1.701 17.240 19.000 -0.100 0.000 0.815 447 A HN 0.649 nan 8.150 nan 0.000 0.449 448 G N -0.543 108.223 108.800 -0.056 0.000 2.404 448 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.213 448 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.213 448 G C 1.565 176.379 174.900 -0.145 0.000 1.189 448 G CA 1.489 46.521 45.100 -0.113 0.000 0.796 448 G HN 0.989 nan 8.290 nan 0.000 0.532 449 V N -1.559 118.275 119.914 -0.134 0.000 2.759 449 V HA 0.123 4.243 4.120 -0.001 0.000 0.256 449 V C 2.230 178.179 176.094 -0.241 0.000 1.080 449 V CA 1.220 63.425 62.300 -0.158 0.000 1.101 449 V CB -0.407 31.348 31.823 -0.113 0.000 0.698 449 V HN 0.127 nan 8.190 nan 0.000 0.477 450 R N 0.887 121.182 120.500 -0.341 0.000 2.317 450 R HA 0.314 4.654 4.340 -0.001 0.000 0.208 450 R C 1.785 177.723 176.300 -0.605 0.000 0.914 450 R CA 0.700 56.506 56.100 -0.491 0.000 1.060 450 R CB 0.081 29.992 30.300 -0.649 0.000 1.015 450 R HN 0.837 nan 8.270 nan 0.000 0.498 451 G N 0.553 109.095 108.800 -0.430 0.000 2.141 451 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.242 451 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.242 451 G C 0.543 175.211 174.900 -0.387 0.000 0.982 451 G CA 0.182 45.056 45.100 -0.377 0.000 0.662 451 G HN 0.404 nan 8.290 nan 0.000 0.527 452 Y N -0.026 120.157 120.300 -0.194 0.000 2.497 452 Y HA 0.224 4.774 4.550 -0.001 0.000 0.292 452 Y C 2.539 178.282 175.900 -0.261 0.000 1.137 452 Y CA 1.345 59.333 58.100 -0.188 0.000 1.285 452 Y CB 0.083 38.445 38.460 -0.164 0.000 0.991 452 Y HN 0.385 nan 8.280 nan 0.000 0.556 453 L N -0.820 120.287 121.223 -0.193 0.000 2.728 453 L HA 0.108 4.448 4.340 -0.001 0.000 0.238 453 L C 0.769 177.514 176.870 -0.207 0.000 1.143 453 L CA -0.094 54.564 54.840 -0.303 0.000 0.937 453 L CB 0.001 41.808 42.059 -0.421 0.000 1.225 453 L HN 0.027 nan 8.230 nan 0.000 0.507 454 D N 1.246 121.547 120.400 -0.165 0.000 2.178 454 D HA -0.143 4.496 4.640 -0.001 0.000 0.201 454 D C 1.915 178.157 176.300 -0.098 0.000 0.980 454 D CA 1.323 55.243 54.000 -0.134 0.000 0.842 454 D CB 0.208 40.928 40.800 -0.133 0.000 0.948 454 D HN 0.239 nan 8.370 nan 0.000 0.472 455 K N -0.518 119.832 120.400 -0.083 0.000 2.361 455 K HA 0.084 4.404 4.320 -0.001 0.000 0.194 455 K C 0.325 176.903 176.600 -0.037 0.000 1.032 455 K CA -0.436 55.822 56.287 -0.049 0.000 1.048 455 K CB 0.511 32.994 32.500 -0.029 0.000 0.842 455 K HN 0.029 nan 8.250 nan 0.000 0.526 456 L N 2.532 123.715 121.223 -0.066 0.000 2.453 456 L HA 0.021 4.360 4.340 -0.001 0.000 0.272 456 L C 0.166 177.018 176.870 -0.029 0.000 1.182 456 L CA 0.446 55.259 54.840 -0.045 0.000 0.858 456 L CB 0.427 42.395 42.059 -0.152 0.000 1.120 456 L HN 0.037 nan 8.230 nan 0.000 0.474 457 E N 6.008 126.220 120.200 0.020 0.000 2.384 457 E HA 0.029 4.379 4.350 -0.001 0.000 0.266 457 E C -1.664 174.943 176.600 0.012 0.000 1.012 457 E CA -1.283 55.128 56.400 0.018 0.000 0.901 457 E CB 0.983 30.707 29.700 0.040 0.000 0.967 457 E HN 0.517 nan 8.360 nan 0.000 0.435 458 P HA -0.222 nan 4.420 nan 0.000 0.216 458 P C 1.199 178.508 177.300 0.015 0.000 1.153 458 P CA 1.561 64.654 63.100 -0.012 0.000 0.858 458 P CB 0.116 31.809 31.700 -0.012 0.000 0.789 459 S N -0.947 114.773 115.700 0.033 0.000 2.442 459 S HA -0.103 4.366 4.470 -0.001 0.000 0.236 459 S C 1.655 176.307 174.600 0.087 0.000 1.007 459 S CA 1.096 59.326 58.200 0.050 0.000 0.965 459 S CB -0.792 62.435 63.200 0.045 0.000 0.773 459 S HN 0.172 nan 8.310 nan 0.000 0.504 460 K N 0.282 120.752 120.400 0.118 0.000 2.404 460 K HA 0.339 4.658 4.320 -0.001 0.000 0.194 460 K C 1.323 178.058 176.600 0.225 0.000 1.023 460 K CA -0.032 56.392 56.287 0.228 0.000 1.094 460 K CB 0.046 32.742 32.500 0.327 0.000 0.841 460 K HN 0.311 nan 8.250 nan 0.000 0.523 461 I N 1.258 121.889 120.570 0.102 0.000 2.252 461 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 461 I C 2.314 178.512 176.117 0.135 0.000 1.102 461 I CA 1.705 63.038 61.300 0.055 0.000 1.385 461 I CB -1.693 36.294 38.000 -0.023 0.000 1.064 461 I HN 0.260 nan 8.210 nan 0.000 0.414 462 T N -0.606 114.017 114.554 0.115 0.000 2.746 462 T HA -0.227 4.123 4.350 -0.001 0.000 0.267 462 T C 1.955 176.744 174.700 0.147 0.000 1.039 462 T CA 1.323 63.489 62.100 0.109 0.000 1.142 462 T CB -0.373 68.538 68.868 0.073 0.000 0.866 462 T HN 0.273 nan 8.240 nan 0.000 0.444 463 K N 0.110 120.631 120.400 0.201 0.000 2.057 463 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 463 K C 2.098 178.878 176.600 0.301 0.000 1.049 463 K CA 1.389 57.838 56.287 0.270 0.000 0.931 463 K CB -0.416 32.297 32.500 0.355 0.000 0.714 463 K HN 0.417 nan 8.250 nan 0.000 0.440 464 F N 2.069 122.043 119.950 0.041 0.000 2.095 464 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 464 F C 2.320 178.082 175.800 -0.063 0.000 1.104 464 F CA 2.038 59.838 58.000 -0.333 0.000 1.232 464 F CB -0.256 38.354 39.000 -0.651 0.000 0.987 464 F HN 0.179 nan 8.300 nan 0.000 0.475 465 E N 0.276 120.570 120.200 0.158 0.000 2.031 465 E HA -0.327 4.022 4.350 -0.001 0.000 0.193 465 E C 2.105 178.711 176.600 0.011 0.000 0.994 465 E CA 1.490 57.959 56.400 0.114 0.000 0.800 465 E CB -0.506 29.295 29.700 0.168 0.000 0.752 465 E HN 0.454 nan 8.360 nan 0.000 0.447 466 N N 0.607 119.332 118.700 0.042 0.000 2.037 466 N HA -0.236 4.503 4.740 -0.001 0.000 0.196 466 N C 1.661 177.177 175.510 0.009 0.000 1.034 466 N CA 2.506 55.575 53.050 0.031 0.000 0.861 466 N CB -0.555 37.971 38.487 0.064 0.000 1.039 466 N HN 0.254 nan 8.380 nan 0.000 0.427 467 A N -0.450 122.403 122.820 0.055 0.000 1.877 467 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 467 A C 2.281 179.864 177.584 -0.003 0.000 1.186 467 A CA 1.496 53.618 52.037 0.142 0.000 0.620 467 A CB -1.282 17.937 19.000 0.365 0.000 0.822 467 A HN 0.500 nan 8.150 nan 0.000 0.443 468 F N 0.115 119.710 119.950 -0.591 0.000 2.134 468 F HA -0.138 4.389 4.527 -0.001 0.000 0.299 468 F C 1.790 177.264 175.800 -0.544 0.000 1.097 468 F CA 1.773 59.074 58.000 -1.165 0.000 1.264 468 F CB -0.328 37.748 39.000 -1.540 0.000 1.001 468 F HN 0.184 nan 8.300 nan 0.000 0.479 469 L N -0.065 120.874 121.223 -0.475 0.000 2.072 469 L HA -0.111 4.229 4.340 -0.001 0.000 0.205 469 L C 2.459 179.151 176.870 -0.298 0.000 1.079 469 L CA 1.933 56.518 54.840 -0.426 0.000 0.752 469 L CB -0.982 40.974 42.059 -0.172 0.000 0.906 469 L HN 0.103 nan 8.230 nan 0.000 0.436 470 S N -1.307 114.298 115.700 -0.159 0.000 2.383 470 S HA -0.283 4.186 4.470 -0.001 0.000 0.229 470 S C 1.901 176.475 174.600 -0.042 0.000 1.030 470 S CA 1.502 59.661 58.200 -0.069 0.000 1.002 470 S CB -0.654 62.549 63.200 0.004 0.000 0.829 470 S HN 0.670 nan 8.310 nan 0.000 0.467 471 H N 2.069 121.025 119.070 -0.191 0.000 2.276 471 H HA -0.028 4.528 4.556 -0.001 0.000 0.301 471 H C 2.191 177.415 175.328 -0.174 0.000 1.073 471 H CA 2.017 57.989 56.048 -0.127 0.000 1.311 471 H CB -0.796 28.927 29.762 -0.064 0.000 1.379 471 H HN 0.206 nan 8.280 nan 0.000 0.494 472 V N -0.599 118.990 119.914 -0.542 0.000 2.469 472 V HA -0.184 3.935 4.120 -0.001 0.000 0.251 472 V C 2.471 178.393 176.094 -0.286 0.000 1.064 472 V CA 2.067 64.062 62.300 -0.509 0.000 1.066 472 V CB -0.977 30.428 31.823 -0.698 0.000 0.667 472 V HN 0.414 nan 8.190 nan 0.000 0.461 473 I N 0.892 121.315 120.570 -0.245 0.000 2.252 473 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 473 I C 2.926 178.969 176.117 -0.123 0.000 1.102 473 I CA 1.905 63.110 61.300 -0.158 0.000 1.385 473 I CB -0.501 37.422 38.000 -0.130 0.000 1.064 473 I HN 0.429 nan 8.210 nan 0.000 0.414 474 S N 0.117 115.754 115.700 -0.105 0.000 2.345 474 S HA -0.185 4.284 4.470 -0.001 0.000 0.220 474 S C 1.922 176.454 174.600 -0.113 0.000 1.031 474 S CA 1.490 59.648 58.200 -0.070 0.000 0.996 474 S CB -0.029 63.169 63.200 -0.003 0.000 0.882 474 S HN 0.450 nan 8.310 nan 0.000 0.445 475 Q N -1.461 118.229 119.800 -0.183 0.000 2.281 475 Q HA 0.178 4.518 4.340 -0.001 0.000 0.215 475 Q C -0.183 175.466 176.000 -0.584 0.000 0.867 475 Q CA 0.197 55.805 55.803 -0.325 0.000 0.940 475 Q CB 0.565 29.120 28.738 -0.305 0.000 1.111 475 Q HN 0.643 nan 8.270 nan 0.000 0.513 476 H N -0.817 118.106 119.070 -0.246 0.000 2.676 476 H HA 0.115 4.671 4.556 -0.001 0.000 0.238 476 H C 0.727 175.951 175.328 -0.174 0.000 1.276 476 H CA -0.147 55.772 56.048 -0.215 0.000 0.983 476 H CB 0.767 30.362 29.762 -0.278 0.000 2.000 476 H HN -0.033 nan 8.280 nan 0.000 0.584 477 Q N 1.270 121.016 119.800 -0.090 0.000 2.135 477 Q HA -0.106 4.233 4.340 -0.001 0.000 0.204 477 Q C 2.183 178.148 176.000 -0.059 0.000 0.981 477 Q CA 1.835 57.591 55.803 -0.078 0.000 0.856 477 Q CB -0.087 28.603 28.738 -0.081 0.000 0.902 477 Q HN 0.631 nan 8.270 nan 0.000 0.425 478 A N -0.100 122.689 122.820 -0.052 0.000 1.969 478 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 478 A C 2.034 179.601 177.584 -0.028 0.000 1.169 478 A CA 1.127 53.142 52.037 -0.038 0.000 0.635 478 A CB -0.656 18.322 19.000 -0.036 0.000 0.810 478 A HN 0.480 nan 8.150 nan 0.000 0.445 479 L N -0.578 120.636 121.223 -0.016 0.000 2.056 479 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 479 L C 2.316 179.148 176.870 -0.064 0.000 1.078 479 L CA 1.353 56.171 54.840 -0.036 0.000 0.749 479 L CB -0.295 41.737 42.059 -0.045 0.000 0.901 479 L HN 0.420 nan 8.230 nan 0.000 0.433 480 L N -0.386 120.796 121.223 -0.068 0.000 2.156 480 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 480 L C 3.013 179.852 176.870 -0.052 0.000 1.095 480 L CA 1.101 55.897 54.840 -0.073 0.000 0.770 480 L CB -0.779 41.228 42.059 -0.087 0.000 0.914 480 L HN 0.363 nan 8.230 nan 0.000 0.439 481 S N 0.353 116.026 115.700 -0.045 0.000 2.382 481 S HA -0.214 4.256 4.470 -0.001 0.000 0.228 481 S C 2.145 176.727 174.600 -0.029 0.000 1.027 481 S CA 1.473 59.652 58.200 -0.035 0.000 0.991 481 S CB -0.182 nan 63.200 nan 0.000 0.823 481 S HN 0.289 nan 8.310 nan 0.000 0.469 482 K N 0.236 120.617 120.400 -0.032 0.000 2.001 482 K HA 0.118 4.438 4.320 -0.001 0.000 0.208 482 K C 1.870 178.453 176.600 -0.028 0.000 1.048 482 K CA 1.220 57.490 56.287 -0.028 0.000 0.932 482 K CB -0.336 32.146 32.500 -0.030 0.000 0.715 482 K HN 0.450 nan 8.250 nan 0.000 0.437 483 I N 0.862 121.410 120.570 -0.036 0.000 2.315 483 I HA -0.330 3.839 4.170 -0.001 0.000 0.251 483 I C 2.624 178.729 176.117 -0.019 0.000 1.125 483 I CA 1.162 62.444 61.300 -0.031 0.000 1.392 483 I CB -0.193 37.781 38.000 -0.044 0.000 1.065 483 I HN 0.189 nan 8.210 nan 0.000 0.424 484 R N 0.379 120.867 120.500 -0.018 0.000 2.055 484 R HA -0.128 4.211 4.340 -0.001 0.000 0.228 484 R C 2.353 178.647 176.300 -0.010 0.000 1.143 484 R CA 2.011 58.105 56.100 -0.010 0.000 0.945 484 R CB -0.397 29.899 30.300 -0.006 0.000 0.841 484 R HN 0.143 nan 8.270 nan 0.000 0.429 485 T N 1.289 115.835 114.554 -0.013 0.000 2.665 485 T HA -0.142 4.207 4.350 -0.001 0.000 0.268 485 T C 1.112 175.805 174.700 -0.011 0.000 1.035 485 T CA 1.808 63.901 62.100 -0.012 0.000 1.151 485 T CB -0.381 68.480 68.868 -0.013 0.000 0.862 485 T HN 0.336 nan 8.240 nan 0.000 0.438 486 D N -0.054 120.339 120.400 -0.011 0.000 2.264 486 D HA 0.069 4.709 4.640 -0.001 0.000 0.208 486 D C 1.883 178.179 176.300 -0.007 0.000 0.966 486 D CA 1.134 55.129 54.000 -0.009 0.000 0.864 486 D CB -0.418 40.377 40.800 -0.009 0.000 0.933 486 D HN 0.560 nan 8.370 nan 0.000 0.499 487 G N 0.849 109.645 108.800 -0.008 0.000 2.267 487 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.257 487 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.257 487 G C 0.530 175.429 174.900 -0.002 0.000 0.998 487 G CA 1.137 46.233 45.100 -0.007 0.000 0.620 487 G HN 0.573 nan 8.290 nan 0.000 0.529 488 K N -1.196 119.205 120.400 0.001 0.000 2.152 488 K HA 0.782 5.102 4.320 -0.001 0.000 0.257 488 K C -0.826 175.778 176.600 0.007 0.000 0.961 488 K CA -1.237 55.055 56.287 0.009 0.000 0.816 488 K CB 0.788 33.297 32.500 0.014 0.000 1.501 488 K HN 0.168 nan 8.250 nan 0.000 0.417 489 I N 2.905 123.487 120.570 0.021 0.000 2.307 489 I HA 0.148 4.318 4.170 -0.001 0.000 0.287 489 I C 0.113 176.244 176.117 0.024 0.000 1.054 489 I CA -0.519 60.790 61.300 0.016 0.000 1.218 489 I CB 1.340 39.369 38.000 0.048 0.000 1.398 489 I HN 0.694 nan 8.210 nan 0.000 0.475 490 S N 3.759 119.464 115.700 0.008 0.000 2.617 490 S HA 0.192 4.661 4.470 -0.001 0.000 0.259 490 S C 1.000 175.613 174.600 0.022 0.000 1.301 490 S CA -0.541 57.667 58.200 0.013 0.000 0.984 490 S CB 0.952 64.154 63.200 0.004 0.000 0.954 490 S HN 0.639 nan 8.310 nan 0.000 0.572 491 E N 0.362 120.577 120.200 0.024 0.000 2.153 491 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 491 E C 1.966 178.580 176.600 0.025 0.000 0.988 491 E CA 1.359 57.778 56.400 0.032 0.000 0.811 491 E CB -0.125 29.592 29.700 0.027 0.000 0.746 491 E HN 0.857 nan 8.360 nan 0.000 0.466 492 E N 0.412 120.619 120.200 0.012 0.000 2.072 492 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 492 E C 2.055 178.647 176.600 -0.012 0.000 0.985 492 E CA 1.033 57.435 56.400 0.003 0.000 0.801 492 E CB 0.131 29.831 29.700 0.000 0.000 0.750 492 E HN -0.022 nan 8.360 nan 0.000 0.452 493 S N 0.649 116.335 115.700 -0.024 0.000 2.383 493 S HA -0.154 4.315 4.470 -0.001 0.000 0.227 493 S C 1.517 176.060 174.600 -0.095 0.000 1.026 493 S CA 1.103 59.265 58.200 -0.063 0.000 0.981 493 S CB -0.294 62.867 63.200 -0.066 0.000 0.818 493 S HN 0.359 nan 8.310 nan 0.000 0.472 494 D N 1.614 121.997 120.400 -0.030 0.000 2.104 494 D HA -0.071 4.568 4.640 -0.001 0.000 0.194 494 D C 2.096 178.425 176.300 0.049 0.000 0.994 494 D CA 1.357 55.380 54.000 0.038 0.000 0.830 494 D CB -0.321 40.557 40.800 0.130 0.000 0.959 494 D HN 0.316 nan 8.370 nan 0.000 0.452 495 A N 0.635 123.478 122.820 0.038 0.000 1.883 495 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 495 A C 2.228 179.813 177.584 0.001 0.000 1.186 495 A CA 2.173 54.232 52.037 0.038 0.000 0.624 495 A CB -0.569 18.449 19.000 0.030 0.000 0.822 495 A HN 0.199 nan 8.150 nan 0.000 0.444 496 K N -0.510 119.867 120.400 -0.039 0.000 2.009 496 K HA -0.076 4.243 4.320 -0.001 0.000 0.210 496 K C 1.886 178.406 176.600 -0.133 0.000 1.049 496 K CA 1.636 57.877 56.287 -0.076 0.000 0.929 496 K CB -0.413 32.030 32.500 -0.095 0.000 0.714 496 K HN 0.489 nan 8.250 nan 0.000 0.440 497 L N 0.521 121.624 121.223 -0.199 0.000 2.046 497 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 497 L C 2.466 179.247 176.870 -0.148 0.000 1.077 497 L CA 1.394 56.062 54.840 -0.288 0.000 0.747 497 L CB -0.387 41.224 42.059 -0.746 0.000 0.896 497 L HN 0.212 nan 8.230 nan 0.000 0.432 498 K N -0.046 120.346 120.400 -0.014 0.000 2.059 498 K HA -0.236 4.083 4.320 -0.001 0.000 0.212 498 K C 1.985 178.544 176.600 -0.068 0.000 1.050 498 K CA 1.784 58.082 56.287 0.018 0.000 0.927 498 K CB 0.094 32.693 32.500 0.165 0.000 0.714 498 K HN 0.229 nan 8.250 nan 0.000 0.447 499 E N 0.287 120.475 120.200 -0.021 0.000 2.158 499 E HA -0.089 4.260 4.350 -0.001 0.000 0.191 499 E C 2.116 178.725 176.600 0.016 0.000 0.982 499 E CA 0.769 57.173 56.400 0.008 0.000 0.823 499 E CB -0.097 29.619 29.700 0.028 0.000 0.766 499 E HN 0.445 nan 8.360 nan 0.000 0.468 500 I N 0.660 121.214 120.570 -0.026 0.000 2.202 500 I HA -0.228 3.942 4.170 -0.001 0.000 0.242 500 I C 2.361 178.563 176.117 0.142 0.000 1.091 500 I CA 0.799 62.116 61.300 0.030 0.000 1.368 500 I CB -0.249 37.657 38.000 -0.156 0.000 1.058 500 I HN -0.080 nan 8.210 nan 0.000 0.410 501 V N 0.914 120.825 119.914 -0.005 0.000 2.307 501 V HA -0.281 3.838 4.120 -0.001 0.000 0.245 501 V C 2.707 178.796 176.094 -0.008 0.000 1.045 501 V CA 2.530 64.771 62.300 -0.098 0.000 1.024 501 V CB -1.312 30.210 31.823 -0.502 0.000 0.651 501 V HN 0.632 nan 8.190 nan 0.000 0.449 502 T N -0.854 113.642 114.554 -0.096 0.000 2.652 502 T HA -0.248 4.102 4.350 -0.001 0.000 0.267 502 T C 1.756 176.527 174.700 0.119 0.000 1.039 502 T CA 1.826 63.946 62.100 0.032 0.000 1.153 502 T CB -0.619 68.281 68.868 0.053 0.000 0.863 502 T HN 0.420 nan 8.240 nan 0.000 0.428 503 N N 0.745 119.520 118.700 0.126 0.000 2.120 503 N HA -0.021 4.718 4.740 -0.001 0.000 0.188 503 N C 1.581 177.196 175.510 0.175 0.000 1.024 503 N CA 1.126 54.257 53.050 0.135 0.000 0.852 503 N CB -0.587 37.975 38.487 0.125 0.000 1.003 503 N HN 0.460 nan 8.380 nan 0.000 0.424 504 F N 1.702 121.722 119.950 0.117 0.000 2.102 504 F HA -0.158 4.369 4.527 -0.001 0.000 0.298 504 F C 2.295 178.224 175.800 0.214 0.000 1.105 504 F CA 0.880 58.969 58.000 0.149 0.000 1.239 504 F CB -0.341 38.783 39.000 0.207 0.000 0.991 504 F HN -0.058 nan 8.300 nan 0.000 0.474 505 L N 0.637 122.146 121.223 0.476 0.000 2.046 505 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 505 L C 2.463 179.492 176.870 0.265 0.000 1.077 505 L CA 2.024 57.118 54.840 0.423 0.000 0.747 505 L CB -1.241 40.980 42.059 0.270 0.000 0.896 505 L HN 0.166 nan 8.230 nan 0.000 0.432 506 A N -0.327 122.593 122.820 0.167 0.000 1.892 506 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 506 A C 2.366 179.987 177.584 0.061 0.000 1.188 506 A CA 1.867 53.965 52.037 0.102 0.000 0.631 506 A CB -1.746 17.300 19.000 0.075 0.000 0.822 506 A HN 0.550 nan 8.150 nan 0.000 0.447 507 G N -1.678 107.128 108.800 0.011 0.000 2.422 507 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.218 507 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.218 507 G C 1.460 176.314 174.900 -0.076 0.000 1.146 507 G CA 1.133 46.185 45.100 -0.080 0.000 0.769 507 G HN 0.471 nan 8.290 nan 0.000 0.547 508 F N 1.184 121.025 119.950 -0.181 0.000 2.102 508 F HA 0.034 4.560 4.527 -0.001 0.000 0.298 508 F C 2.370 178.164 175.800 -0.011 0.000 1.105 508 F CA 1.627 59.571 58.000 -0.092 0.000 1.239 508 F CB 0.113 39.176 39.000 0.105 0.000 0.991 508 F HN 0.187 nan 8.300 nan 0.000 0.474 509 E N 0.504 120.781 120.200 0.129 0.000 2.403 509 E HA 0.215 4.564 4.350 -0.001 0.000 0.188 509 E C 0.586 177.173 176.600 -0.021 0.000 1.056 509 E CA -0.177 56.247 56.400 0.041 0.000 0.892 509 E CB -0.043 29.731 29.700 0.123 0.000 1.049 509 E HN 0.364 nan 8.360 nan 0.000 0.465 510 A N 0.000 122.788 122.820 -0.053 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 510 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 510 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486