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 2v7q_1_B 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 LAQYREVAXX XXXXXXLDAA 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 0.000 176.298 176.300 -0.003 0.000 2.045 24 D CA 0.000 54.001 54.000 0.001 0.000 0.868 24 D CB 0.000 40.798 40.800 -0.004 0.000 0.688 25 L N 2.218 123.441 121.223 -0.001 0.000 2.610 25 L HA 0.064 4.404 4.340 -0.000 0.000 0.232 25 L C 1.754 178.601 176.870 -0.038 0.000 1.149 25 L CA 0.398 55.230 54.840 -0.014 0.000 0.872 25 L CB 0.081 42.137 42.059 -0.004 0.000 0.992 25 L HN 0.377 nan 8.230 nan 0.000 0.447 26 E N 0.330 120.512 120.200 -0.029 0.000 2.072 26 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 26 E C 1.409 177.988 176.600 -0.035 0.000 0.982 26 E CA 0.974 57.354 56.400 -0.033 0.000 0.803 26 E CB 0.147 29.833 29.700 -0.023 0.000 0.755 26 E HN 0.433 nan 8.360 nan 0.000 0.453 27 E N 0.132 120.315 120.200 -0.029 0.000 2.526 27 E HA 0.166 4.516 4.350 -0.000 0.000 0.208 27 E C 0.059 176.636 176.600 -0.039 0.000 0.997 27 E CA 0.164 56.546 56.400 -0.031 0.000 0.961 27 E CB 1.123 30.809 29.700 -0.023 0.000 1.030 27 E HN 0.012 nan 8.360 nan 0.000 0.483 28 T N -0.362 114.170 114.554 -0.037 0.000 2.883 28 T HA 0.736 5.086 4.350 -0.000 0.000 0.296 28 T C -0.069 174.610 174.700 -0.036 0.000 1.117 28 T CA -0.597 61.480 62.100 -0.038 0.000 1.006 28 T CB 2.354 71.210 68.868 -0.020 0.000 1.191 28 T HN 0.111 nan 8.240 nan 0.000 0.508 29 G N 0.340 109.119 108.800 -0.035 0.000 2.727 29 G HA2 0.742 4.702 3.960 -0.000 0.000 0.289 29 G HA3 0.742 4.702 3.960 -0.000 0.000 0.289 29 G C -1.867 173.048 174.900 0.025 0.000 1.418 29 G CA -0.863 44.233 45.100 -0.007 0.000 0.818 29 G HN 0.587 nan 8.290 nan 0.000 0.486 30 R N -0.702 119.847 120.500 0.081 0.000 2.628 30 R HA 0.535 4.875 4.340 -0.000 0.000 0.288 30 R C -0.622 175.735 176.300 0.095 0.000 0.980 30 R CA -0.640 55.507 56.100 0.079 0.000 0.891 30 R CB 2.556 32.898 30.300 0.070 0.000 1.188 30 R HN 0.383 nan 8.270 nan 0.000 0.450 31 V N 5.461 125.436 119.914 0.101 0.000 2.540 31 V HA -0.034 4.086 4.120 -0.000 0.000 0.297 31 V C 1.254 177.393 176.094 0.074 0.000 1.024 31 V CA 0.559 62.928 62.300 0.116 0.000 1.105 31 V CB 0.516 32.434 31.823 0.158 0.000 0.938 31 V HN 0.731 nan 8.190 nan 0.000 0.482 32 L N 3.833 125.098 121.223 0.070 0.000 2.221 32 L HA 0.164 4.504 4.340 -0.000 0.000 0.202 32 L C 0.922 177.810 176.870 0.029 0.000 1.074 32 L CA 0.876 55.741 54.840 0.042 0.000 0.795 32 L CB 0.120 42.209 42.059 0.050 0.000 0.960 32 L HN 0.844 nan 8.230 nan 0.000 0.458 33 S N -1.204 114.517 115.700 0.035 0.000 2.547 33 S HA 0.683 5.153 4.470 -0.000 0.000 0.270 33 S C -1.074 173.534 174.600 0.015 0.000 1.150 33 S CA -0.754 57.457 58.200 0.018 0.000 0.850 33 S CB 2.674 65.880 63.200 0.010 0.000 1.118 33 S HN -0.002 nan 8.310 nan 0.000 0.461 34 I N 0.137 120.705 120.570 -0.003 0.000 2.918 34 I HA 0.776 4.946 4.170 -0.000 0.000 0.301 34 I C 0.438 176.537 176.117 -0.029 0.000 1.312 34 I CA 0.981 62.267 61.300 -0.023 0.000 1.007 34 I CB 1.718 39.694 38.000 -0.040 0.000 1.281 34 I HN 1.601 nan 8.210 nan 0.000 0.440 35 G N 4.086 112.863 108.800 -0.039 0.000 2.192 35 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.193 35 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.193 35 G C 0.203 175.084 174.900 -0.032 0.000 0.999 35 G CA 0.208 45.287 45.100 -0.036 0.000 0.659 35 G HN 0.697 nan 8.290 nan 0.000 0.503 36 D N 0.292 120.673 120.400 -0.032 0.000 2.643 36 D HA 0.492 5.132 4.640 -0.000 0.000 0.244 36 D C 1.573 177.850 176.300 -0.038 0.000 1.257 36 D CA 1.301 55.282 54.000 -0.031 0.000 0.831 36 D CB -0.267 40.518 40.800 -0.025 0.000 1.043 36 D HN 1.282 nan 8.370 nan 0.000 0.488 37 G N 0.744 109.518 108.800 -0.044 0.000 3.298 37 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 37 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 37 G C 0.284 175.149 174.900 -0.059 0.000 1.681 37 G CA -0.146 44.922 45.100 -0.054 0.000 1.094 37 G HN 0.298 nan 8.290 nan 0.000 0.575 38 I N 3.087 123.624 120.570 -0.055 0.000 2.752 38 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 38 I C 1.335 177.439 176.117 -0.022 0.000 1.188 38 I CA 0.302 61.575 61.300 -0.046 0.000 1.427 38 I CB 1.102 39.076 38.000 -0.043 0.000 1.365 38 I HN 0.800 nan 8.210 nan 0.000 0.585 39 A N 8.086 130.910 122.820 0.005 0.000 2.363 39 A HA 0.451 4.771 4.320 -0.000 0.000 0.270 39 A C -0.159 177.465 177.584 0.067 0.000 1.121 39 A CA -0.574 51.493 52.037 0.051 0.000 0.800 39 A CB 0.351 19.431 19.000 0.133 0.000 1.052 39 A HN 0.604 nan 8.150 nan 0.000 0.493 40 R N 1.665 122.200 120.500 0.058 0.000 2.294 40 R HA 0.507 4.847 4.340 -0.000 0.000 0.319 40 R C -1.206 175.140 176.300 0.076 0.000 0.984 40 R CA -0.420 55.712 56.100 0.053 0.000 0.861 40 R CB 1.198 31.520 30.300 0.037 0.000 1.104 40 R HN 0.422 nan 8.270 nan 0.000 0.451 41 V N 2.996 122.949 119.914 0.065 0.000 2.540 41 V HA 0.191 4.311 4.120 -0.000 0.000 0.302 41 V C -0.194 175.945 176.094 0.074 0.000 1.035 41 V CA -1.007 61.335 62.300 0.069 0.000 0.873 41 V CB 1.685 33.522 31.823 0.023 0.000 0.992 41 V HN 0.740 nan 8.190 nan 0.000 0.428 42 H N 3.018 122.089 119.070 0.001 0.000 2.548 42 H HA 0.675 5.231 4.556 -0.000 0.000 0.331 42 H C 0.546 175.866 175.328 -0.013 0.000 1.093 42 H CA 1.516 57.562 56.048 -0.004 0.000 1.367 42 H CB 1.123 30.885 29.762 0.000 0.000 1.455 42 H HN 1.112 nan 8.280 nan 0.000 0.519 43 G N 2.675 111.199 108.800 -0.460 0.000 2.464 43 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 43 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 43 G C -0.178 174.625 174.900 -0.163 0.000 1.186 43 G CA -0.446 44.476 45.100 -0.296 0.000 1.010 43 G HN 1.215 nan 8.290 nan 0.000 0.585 44 L N -0.574 120.587 121.223 -0.103 0.000 3.660 44 L HA -0.240 4.099 4.340 -0.000 0.000 0.440 44 L C 2.072 178.897 176.870 -0.076 0.000 1.262 44 L CA 1.071 55.863 54.840 -0.080 0.000 0.837 44 L CB -0.964 41.047 42.059 -0.079 0.000 1.689 44 L HN 0.671 nan 8.230 nan 0.000 0.890 45 R N -0.047 120.406 120.500 -0.079 0.000 2.105 45 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 45 R C 1.628 177.900 176.300 -0.047 0.000 1.135 45 R CA 1.886 57.945 56.100 -0.068 0.000 0.967 45 R CB -0.166 30.095 30.300 -0.066 0.000 0.861 45 R HN 0.493 nan 8.270 nan 0.000 0.442 46 N N -0.256 118.420 118.700 -0.041 0.000 2.398 46 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 46 N C -0.283 175.211 175.510 -0.028 0.000 1.122 46 N CA 0.087 53.119 53.050 -0.030 0.000 0.866 46 N CB 0.359 38.831 38.487 -0.025 0.000 0.970 46 N HN -0.039 nan 8.380 nan 0.000 0.462 47 V N 1.569 121.462 119.914 -0.034 0.000 2.763 47 V HA -0.040 4.080 4.120 -0.000 0.000 0.306 47 V C 0.254 176.335 176.094 -0.021 0.000 1.059 47 V CA -0.011 62.271 62.300 -0.031 0.000 1.138 47 V CB 0.668 32.466 31.823 -0.042 0.000 0.940 47 V HN 0.253 nan 8.190 nan 0.000 0.489 48 Q N 3.958 123.750 119.800 -0.013 0.000 2.260 48 Q HA 0.608 4.948 4.340 -0.000 0.000 0.238 48 Q C 0.088 176.087 176.000 -0.001 0.000 0.948 48 Q CA -0.246 55.554 55.803 -0.005 0.000 0.895 48 Q CB 1.183 29.922 28.738 0.001 0.000 1.218 48 Q HN 0.963 nan 8.270 nan 0.000 0.470 49 A N 1.793 124.615 122.820 0.004 0.000 2.488 49 A HA 0.093 4.413 4.320 -0.000 0.000 0.249 49 A C 0.082 177.677 177.584 0.019 0.000 1.083 49 A CA 0.143 52.186 52.037 0.010 0.000 0.768 49 A CB -0.152 18.855 19.000 0.012 0.000 1.017 49 A HN 0.956 nan 8.150 nan 0.000 0.496 50 E N -0.518 119.698 120.200 0.027 0.000 3.547 50 E HA -0.192 4.158 4.350 -0.000 0.000 0.309 50 E C 0.136 176.768 176.600 0.053 0.000 0.855 50 E CA 1.155 57.583 56.400 0.046 0.000 1.122 50 E CB -1.383 28.343 29.700 0.043 0.000 1.569 50 E HN 0.938 nan 8.360 nan 0.000 0.429 51 E N 0.871 121.093 120.200 0.035 0.000 2.331 51 E HA 0.278 4.628 4.350 -0.000 0.000 0.272 51 E C -0.041 176.590 176.600 0.051 0.000 1.036 51 E CA -0.456 55.964 56.400 0.033 0.000 0.864 51 E CB 0.698 30.404 29.700 0.010 0.000 1.035 51 E HN 0.052 nan 8.360 nan 0.000 0.408 52 M N 5.269 124.911 119.600 0.069 0.000 2.228 52 M HA 0.164 4.644 4.480 -0.000 0.000 0.351 52 M C -1.071 175.251 176.300 0.037 0.000 1.233 52 M CA -0.190 55.169 55.300 0.098 0.000 1.129 52 M CB 0.906 33.575 32.600 0.114 0.000 1.604 52 M HN 0.350 nan 8.290 nan 0.000 0.457 53 V N 1.784 121.706 119.914 0.014 0.000 3.074 53 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 53 V C -1.000 175.043 176.094 -0.086 0.000 1.117 53 V CA -0.840 61.412 62.300 -0.081 0.000 1.014 53 V CB 2.184 33.894 31.823 -0.188 0.000 1.057 53 V HN 0.843 nan 8.190 nan 0.000 0.438 54 E N 1.645 121.760 120.200 -0.141 0.000 2.176 54 E HA 0.555 4.905 4.350 -0.000 0.000 0.267 54 E C -1.639 174.859 176.600 -0.168 0.000 0.893 54 E CA -0.368 55.995 56.400 -0.061 0.000 0.761 54 E CB 2.238 31.936 29.700 -0.003 0.000 1.133 54 E HN 0.633 nan 8.360 nan 0.000 0.409 55 F N 0.927 120.893 119.950 0.027 0.000 2.377 55 F HA 0.041 4.568 4.527 -0.000 0.000 0.328 55 F C 1.986 177.798 175.800 0.021 0.000 1.094 55 F CA -0.207 57.805 58.000 0.020 0.000 1.093 55 F CB 1.303 40.313 39.000 0.017 0.000 1.214 55 F HN 0.490 nan 8.300 nan 0.000 0.518 56 S N -0.722 115.106 115.700 0.213 0.000 2.442 56 S HA -0.181 4.289 4.470 -0.000 0.000 0.236 56 S C 1.711 176.376 174.600 0.108 0.000 1.007 56 S CA 1.110 59.383 58.200 0.121 0.000 0.965 56 S CB -0.860 62.396 63.200 0.092 0.000 0.773 56 S HN 0.665 nan 8.310 nan 0.000 0.504 57 S N 0.240 116.017 115.700 0.128 0.000 2.607 57 S HA 0.433 4.903 4.470 -0.000 0.000 0.224 57 S C 1.600 176.248 174.600 0.080 0.000 0.969 57 S CA 0.440 58.688 58.200 0.079 0.000 0.927 57 S CB -0.593 62.633 63.200 0.043 0.000 0.772 57 S HN 1.467 nan 8.310 nan 0.000 0.533 58 G N 0.104 108.970 108.800 0.111 0.000 2.176 58 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.232 58 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.232 58 G C -0.141 174.833 174.900 0.123 0.000 0.986 58 G CA 0.031 45.190 45.100 0.098 0.000 0.643 58 G HN 0.416 nan 8.290 nan 0.000 0.522 59 L N 0.880 122.197 121.223 0.157 0.000 2.453 59 L HA 0.554 4.894 4.340 -0.000 0.000 0.261 59 L C 0.783 177.833 176.870 0.301 0.000 1.179 59 L CA -0.201 54.749 54.840 0.183 0.000 0.813 59 L CB 0.770 42.878 42.059 0.082 0.000 1.110 59 L HN 0.087 nan 8.230 nan 0.000 0.466 60 K N 0.916 121.497 120.400 0.302 0.000 2.166 60 K HA 0.814 5.134 4.320 -0.000 0.000 0.245 60 K C -0.131 176.709 176.600 0.400 0.000 0.967 60 K CA -0.618 55.875 56.287 0.343 0.000 0.863 60 K CB 1.883 34.572 32.500 0.314 0.000 1.107 60 K HN 0.761 nan 8.250 nan 0.000 0.436 61 G N 0.167 109.149 108.800 0.304 0.000 2.708 61 G HA2 0.616 4.576 3.960 -0.000 0.000 0.289 61 G HA3 0.616 4.576 3.960 -0.000 0.000 0.289 61 G C -1.582 173.313 174.900 -0.008 0.000 1.416 61 G CA -0.699 44.442 45.100 0.069 0.000 0.829 61 G HN 0.465 nan 8.290 nan 0.000 0.480 62 M N 1.020 120.502 119.600 -0.197 0.000 2.253 62 M HA 0.496 4.976 4.480 -0.000 0.000 0.314 62 M C -0.585 175.694 176.300 -0.035 0.000 1.019 62 M CA -0.555 54.731 55.300 -0.022 0.000 0.932 62 M CB 1.768 34.416 32.600 0.080 0.000 1.606 62 M HN 0.348 nan 8.290 nan 0.000 0.430 63 S N 5.123 120.820 115.700 -0.005 0.000 2.465 63 S HA 0.068 4.538 4.470 -0.000 0.000 0.307 63 S C 0.545 175.144 174.600 -0.002 0.000 1.187 63 S CA -0.439 57.753 58.200 -0.013 0.000 1.141 63 S CB 0.283 63.474 63.200 -0.015 0.000 1.108 63 S HN 0.712 nan 8.310 nan 0.000 0.525 64 L N 4.062 125.279 121.223 -0.011 0.000 2.189 64 L HA 0.304 4.644 4.340 -0.000 0.000 0.199 64 L C 0.360 177.231 176.870 0.002 0.000 1.074 64 L CA 1.305 56.145 54.840 -0.002 0.000 0.783 64 L CB 0.025 42.073 42.059 -0.019 0.000 0.955 64 L HN 0.476 nan 8.230 nan 0.000 0.460 65 N N 1.116 119.813 118.700 -0.005 0.000 2.444 65 N HA 0.330 5.070 4.740 -0.000 0.000 0.262 65 N C -1.301 174.205 175.510 -0.007 0.000 0.974 65 N CA -0.318 52.730 53.050 -0.004 0.000 0.933 65 N CB 1.381 39.864 38.487 -0.006 0.000 1.137 65 N HN 0.128 nan 8.380 nan 0.000 0.498 66 L N 2.556 123.776 121.223 -0.006 0.000 2.262 66 L HA 0.398 4.738 4.340 -0.000 0.000 0.288 66 L C 0.340 177.204 176.870 -0.010 0.000 1.035 66 L CA -0.197 54.637 54.840 -0.011 0.000 0.820 66 L CB 0.689 42.742 42.059 -0.011 0.000 1.204 66 L HN 0.378 nan 8.230 nan 0.000 0.424 67 E N 3.478 123.670 120.200 -0.013 0.000 2.281 67 E HA 0.325 4.675 4.350 -0.000 0.000 0.262 67 E C -1.712 174.880 176.600 -0.014 0.000 0.933 67 E CA -1.784 54.611 56.400 -0.010 0.000 0.809 67 E CB 2.031 31.728 29.700 -0.004 0.000 1.242 67 E HN 0.288 nan 8.360 nan 0.000 0.418 68 P HA -0.204 nan 4.420 nan 0.000 0.216 68 P C 0.436 177.726 177.300 -0.017 0.000 1.150 68 P CA 1.449 64.541 63.100 -0.012 0.000 0.843 68 P CB 0.186 31.883 31.700 -0.005 0.000 0.787 69 D N -2.415 117.981 120.400 -0.007 0.000 2.441 69 D HA 0.044 4.684 4.640 -0.000 0.000 0.210 69 D C 0.225 176.530 176.300 0.008 0.000 1.102 69 D CA -0.021 53.983 54.000 0.007 0.000 0.840 69 D CB -0.176 40.642 40.800 0.030 0.000 0.990 69 D HN 0.352 nan 8.370 nan 0.000 0.505 70 N N -1.054 117.642 118.700 -0.007 0.000 2.823 70 N HA 0.362 5.102 4.740 -0.000 0.000 0.251 70 N C -1.968 173.533 175.510 -0.016 0.000 1.392 70 N CA -0.928 52.121 53.050 -0.002 0.000 0.864 70 N CB 1.967 40.471 38.487 0.029 0.000 1.481 70 N HN -0.221 nan 8.380 nan 0.000 0.508 71 V N 0.200 120.105 119.914 -0.015 0.000 2.417 71 V HA 0.746 4.866 4.120 -0.000 0.000 0.291 71 V C 0.570 176.664 176.094 -0.000 0.000 1.024 71 V CA -0.557 61.733 62.300 -0.017 0.000 0.861 71 V CB 1.159 32.962 31.823 -0.034 0.000 0.985 71 V HN 0.874 nan 8.190 nan 0.000 0.436 72 G N 3.803 112.602 108.800 -0.003 0.000 2.320 72 G HA2 0.529 4.489 3.960 -0.000 0.000 0.300 72 G HA3 0.529 4.489 3.960 -0.000 0.000 0.300 72 G C -0.809 174.088 174.900 -0.004 0.000 1.126 72 G CA -0.222 44.878 45.100 0.001 0.000 0.896 72 G HN 0.541 nan 8.290 nan 0.000 0.436 73 V N 3.809 123.732 119.914 0.015 0.000 2.378 73 V HA 0.208 4.328 4.120 -0.000 0.000 0.288 73 V C 0.193 176.275 176.094 -0.019 0.000 1.016 73 V CA -0.750 61.561 62.300 0.019 0.000 0.840 73 V CB 1.663 33.551 31.823 0.107 0.000 0.994 73 V HN 0.536 nan 8.190 nan 0.000 0.431 74 V N 6.136 125.976 119.914 -0.124 0.000 2.508 74 V HA 0.189 4.309 4.120 -0.000 0.000 0.281 74 V C 0.238 176.107 176.094 -0.375 0.000 1.041 74 V CA -0.174 61.983 62.300 -0.239 0.000 1.016 74 V CB 1.509 33.150 31.823 -0.303 0.000 0.984 74 V HN 0.618 nan 8.190 nan 0.000 0.478 75 V N 6.375 126.130 119.914 -0.265 0.000 2.406 75 V HA 0.298 4.418 4.120 -0.000 0.000 0.272 75 V C 0.210 176.195 176.094 -0.181 0.000 1.043 75 V CA -0.221 61.950 62.300 -0.216 0.000 0.915 75 V CB 0.852 32.550 31.823 -0.207 0.000 0.988 75 V HN 0.745 nan 8.190 nan 0.000 0.466 76 F N 4.415 124.420 119.950 0.092 0.000 2.833 76 F HA 0.559 5.086 4.527 -0.000 0.000 0.327 76 F C 1.220 177.054 175.800 0.056 0.000 1.184 76 F CA 0.284 58.337 58.000 0.088 0.000 1.328 76 F CB 0.229 39.292 39.000 0.106 0.000 1.440 76 F HN 0.748 nan 8.300 nan 0.000 0.569 77 G N 0.270 109.166 108.800 0.160 0.000 2.336 77 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.286 77 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.286 77 G C -1.779 173.132 174.900 0.018 0.000 1.269 77 G CA -1.109 44.043 45.100 0.087 0.000 0.873 77 G HN 0.025 nan 8.290 nan 0.000 0.494 78 N N 1.569 120.267 118.700 -0.004 0.000 2.399 78 N HA 0.155 4.895 4.740 -0.000 0.000 0.259 78 N C 1.311 176.772 175.510 -0.081 0.000 1.160 78 N CA 0.319 53.352 53.050 -0.028 0.000 0.946 78 N CB 0.710 39.188 38.487 -0.015 0.000 1.156 78 N HN 0.521 nan 8.380 nan 0.000 0.489 79 D N 3.067 123.407 120.400 -0.100 0.000 2.309 79 D HA -0.180 4.460 4.640 -0.000 0.000 0.212 79 D C 0.460 176.681 176.300 -0.133 0.000 0.968 79 D CA 0.926 54.829 54.000 -0.161 0.000 0.882 79 D CB 0.162 40.882 40.800 -0.134 0.000 0.918 79 D HN 0.522 nan 8.370 nan 0.000 0.503 80 K N 0.197 120.547 120.400 -0.084 0.000 2.442 80 K HA 0.073 4.393 4.320 -0.000 0.000 0.198 80 K C 1.998 178.562 176.600 -0.061 0.000 1.042 80 K CA 0.194 56.444 56.287 -0.061 0.000 0.958 80 K CB 0.093 32.570 32.500 -0.039 0.000 0.766 80 K HN 0.225 nan 8.250 nan 0.000 0.474 81 L N 1.014 122.190 121.223 -0.078 0.000 2.554 81 L HA 0.123 4.463 4.340 -0.000 0.000 0.226 81 L C 0.608 177.428 176.870 -0.084 0.000 1.137 81 L CA 0.118 54.919 54.840 -0.066 0.000 0.863 81 L CB -0.033 41.992 42.059 -0.056 0.000 0.985 81 L HN 0.094 nan 8.230 nan 0.000 0.451 82 I N -0.044 120.446 120.570 -0.133 0.000 2.437 82 I HA 0.244 4.414 4.170 -0.000 0.000 0.298 82 I C -0.049 176.031 176.117 -0.061 0.000 0.984 82 I CA -0.419 60.800 61.300 -0.136 0.000 1.214 82 I CB 1.359 39.169 38.000 -0.317 0.000 1.365 82 I HN -0.039 nan 8.210 nan 0.000 0.469 83 K N 4.032 124.425 120.400 -0.012 0.000 2.385 83 K HA 0.325 4.645 4.320 -0.000 0.000 0.248 83 K C -0.646 175.970 176.600 0.026 0.000 0.955 83 K CA -0.938 55.351 56.287 0.003 0.000 0.816 83 K CB 2.346 34.851 32.500 0.008 0.000 1.250 83 K HN 0.552 nan 8.250 nan 0.000 0.434 84 E N 0.329 120.540 120.200 0.019 0.000 2.529 84 E HA -0.092 4.258 4.350 -0.000 0.000 0.259 84 E C 0.555 177.172 176.600 0.029 0.000 0.966 84 E CA 1.486 57.902 56.400 0.025 0.000 0.937 84 E CB 0.134 29.841 29.700 0.011 0.000 0.923 84 E HN 0.804 nan 8.360 nan 0.000 0.468 85 G N 4.070 112.892 108.800 0.037 0.000 2.217 85 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 85 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 85 G C -0.090 174.839 174.900 0.049 0.000 0.990 85 G CA 0.134 45.253 45.100 0.032 0.000 0.627 85 G HN 0.653 nan 8.290 nan 0.000 0.522 86 D N 0.607 121.052 120.400 0.074 0.000 2.423 86 D HA 0.382 5.022 4.640 -0.000 0.000 0.238 86 D C 1.128 177.486 176.300 0.097 0.000 1.142 86 D CA 0.149 54.208 54.000 0.099 0.000 0.884 86 D CB 0.622 41.512 40.800 0.151 0.000 1.199 86 D HN 0.386 nan 8.370 nan 0.000 0.438 87 I N 1.450 122.064 120.570 0.074 0.000 2.441 87 I HA 0.105 4.275 4.170 -0.000 0.000 0.287 87 I C -0.046 176.066 176.117 -0.007 0.000 1.049 87 I CA -0.351 60.968 61.300 0.033 0.000 1.381 87 I CB 0.935 38.949 38.000 0.023 0.000 1.409 87 I HN -0.089 nan 8.210 nan 0.000 0.523 88 V N 6.702 126.565 119.914 -0.084 0.000 2.540 88 V HA 0.421 4.541 4.120 -0.000 0.000 0.302 88 V C -0.254 175.739 176.094 -0.168 0.000 1.035 88 V CA -0.880 61.273 62.300 -0.246 0.000 0.873 88 V CB 1.805 33.403 31.823 -0.375 0.000 0.992 88 V HN 0.627 nan 8.190 nan 0.000 0.428 89 K N 3.579 123.877 120.400 -0.171 0.000 2.324 89 K HA 0.592 4.912 4.320 -0.000 0.000 0.253 89 K C -0.427 176.114 176.600 -0.099 0.000 0.932 89 K CA -0.864 55.362 56.287 -0.101 0.000 0.799 89 K CB 2.446 34.911 32.500 -0.058 0.000 1.154 89 K HN 0.542 nan 8.250 nan 0.000 0.425 90 R N 0.719 121.176 120.500 -0.071 0.000 2.623 90 R HA -0.022 4.318 4.340 -0.000 0.000 0.271 90 R C 1.132 177.413 176.300 -0.032 0.000 1.043 90 R CA 0.469 56.538 56.100 -0.052 0.000 1.083 90 R CB 0.387 30.663 30.300 -0.039 0.000 0.974 90 R HN 0.808 nan 8.270 nan 0.000 0.436 91 T N -1.572 112.970 114.554 -0.020 0.000 3.014 91 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 91 T C 1.375 176.073 174.700 -0.003 0.000 1.060 91 T CA 0.380 62.477 62.100 -0.005 0.000 1.040 91 T CB 0.503 69.376 68.868 0.009 0.000 0.971 91 T HN 0.805 nan 8.240 nan 0.000 0.497 92 G N 1.369 110.166 108.800 -0.005 0.000 2.179 92 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.260 92 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.260 92 G C 0.192 175.094 174.900 0.003 0.000 0.977 92 G CA -0.068 45.030 45.100 -0.003 0.000 0.641 92 G HN 1.326 nan 8.290 nan 0.000 0.533 93 A N 0.690 123.515 122.820 0.009 0.000 2.331 93 A HA 0.752 5.072 4.320 -0.000 0.000 0.320 93 A C 0.394 177.992 177.584 0.023 0.000 1.138 93 A CA -0.740 51.305 52.037 0.013 0.000 0.790 93 A CB 0.932 19.940 19.000 0.012 0.000 1.206 93 A HN 0.537 nan 8.150 nan 0.000 0.470 94 I N 2.308 122.891 120.570 0.021 0.000 2.815 94 I HA -0.034 4.136 4.170 -0.000 0.000 0.291 94 I C 0.779 176.918 176.117 0.036 0.000 1.209 94 I CA 0.251 61.568 61.300 0.029 0.000 1.431 94 I CB 0.405 38.417 38.000 0.021 0.000 1.351 94 I HN 0.381 nan 8.210 nan 0.000 0.585 95 V N 7.055 127.004 119.914 0.060 0.000 2.621 95 V HA -0.118 4.002 4.120 -0.000 0.000 0.300 95 V C 0.331 176.436 176.094 0.020 0.000 1.031 95 V CA 0.533 62.873 62.300 0.068 0.000 1.210 95 V CB -0.680 31.218 31.823 0.125 0.000 0.864 95 V HN 0.923 nan 8.190 nan 0.000 0.477 96 D N 4.276 124.679 120.400 0.005 0.000 2.592 96 D HA 0.741 5.381 4.640 -0.000 0.000 0.263 96 D C -0.597 175.685 176.300 -0.031 0.000 1.132 96 D CA -0.587 53.406 54.000 -0.013 0.000 0.996 96 D CB 2.207 43.004 40.800 -0.006 0.000 1.442 96 D HN 0.481 nan 8.370 nan 0.000 0.486 97 V N -5.003 114.890 119.914 -0.035 0.000 3.078 97 V HA 0.751 4.871 4.120 -0.000 0.000 0.311 97 V C -2.906 173.157 176.094 -0.051 0.000 1.138 97 V CA -2.251 60.021 62.300 -0.046 0.000 1.007 97 V CB 1.850 33.642 31.823 -0.051 0.000 1.045 97 V HN 0.594 nan 8.190 nan 0.000 0.432 98 P HA 0.388 nan 4.420 nan 0.000 0.271 98 P C -0.792 176.440 177.300 -0.113 0.000 1.218 98 P CA 0.093 63.145 63.100 -0.081 0.000 0.780 98 P CB 1.563 33.221 31.700 -0.071 0.000 0.901 99 V N 1.459 121.265 119.914 -0.179 0.000 3.114 99 V HA 0.847 4.967 4.120 -0.000 0.000 0.308 99 V C 0.257 176.024 176.094 -0.544 0.000 1.168 99 V CA 0.360 62.487 62.300 -0.288 0.000 1.015 99 V CB 2.030 33.736 31.823 -0.196 0.000 1.050 99 V HN 1.081 nan 8.190 nan 0.000 0.433 100 G N 2.388 110.602 108.800 -0.976 0.000 2.371 100 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.663 100 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.663 100 G C -0.076 174.394 174.900 -0.717 0.000 1.311 100 G CA -0.023 44.274 45.100 -1.338 0.000 0.985 100 G HN 0.647 nan 8.290 nan 0.000 0.566 101 E N -0.195 119.737 120.200 -0.448 0.000 2.418 101 E HA -0.009 4.341 4.350 -0.000 0.000 0.197 101 E C 1.858 178.433 176.600 -0.042 0.000 1.026 101 E CA 1.044 57.388 56.400 -0.093 0.000 0.862 101 E CB 0.120 29.836 29.700 0.027 0.000 0.799 101 E HN 0.545 nan 8.360 nan 0.000 0.518 102 E N 0.449 120.589 120.200 -0.100 0.000 2.268 102 E HA -0.122 4.227 4.350 -0.000 0.000 0.195 102 E C 1.588 178.169 176.600 -0.032 0.000 0.995 102 E CA 0.557 56.925 56.400 -0.055 0.000 0.836 102 E CB 0.000 29.657 29.700 -0.071 0.000 0.763 102 E HN 0.237 nan 8.360 nan 0.000 0.491 103 L N 0.169 121.368 121.223 -0.040 0.000 2.395 103 L HA 0.038 4.378 4.340 -0.000 0.000 0.218 103 L C 0.371 177.269 176.870 0.046 0.000 1.130 103 L CA -0.067 54.771 54.840 -0.004 0.000 0.826 103 L CB -0.122 41.928 42.059 -0.016 0.000 0.941 103 L HN 0.083 nan 8.230 nan 0.000 0.451 104 L N 0.436 121.707 121.223 0.080 0.000 2.499 104 L HA 0.137 4.477 4.340 -0.000 0.000 0.273 104 L C 1.396 178.303 176.870 0.061 0.000 1.195 104 L CA 0.599 55.506 54.840 0.112 0.000 0.882 104 L CB 0.079 42.242 42.059 0.173 0.000 1.133 104 L HN 0.331 nan 8.230 nan 0.000 0.483 105 G N 1.894 110.714 108.800 0.034 0.000 2.179 105 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 105 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 105 G C 0.267 175.167 174.900 -0.002 0.000 0.977 105 G CA -0.354 44.746 45.100 -0.001 0.000 0.641 105 G HN 0.472 nan 8.290 nan 0.000 0.533 106 R N -0.306 120.201 120.500 0.011 0.000 2.604 106 R HA 0.677 5.017 4.340 -0.000 0.000 0.287 106 R C -0.140 176.166 176.300 0.011 0.000 0.970 106 R CA -0.789 55.315 56.100 0.007 0.000 0.946 106 R CB 1.735 32.038 30.300 0.006 0.000 1.127 106 R HN 0.204 nan 8.270 nan 0.000 0.473 107 V N 2.889 122.808 119.914 0.009 0.000 2.370 107 V HA 0.425 4.545 4.120 -0.000 0.000 0.279 107 V C 0.300 176.403 176.094 0.015 0.000 1.029 107 V CA -0.762 61.548 62.300 0.017 0.000 0.870 107 V CB 1.372 33.204 31.823 0.015 0.000 0.984 107 V HN 0.586 nan 8.190 nan 0.000 0.451 108 V N 1.225 121.150 119.914 0.018 0.000 3.001 108 V HA 0.819 4.939 4.120 -0.000 0.000 0.314 108 V C -0.359 175.742 176.094 0.013 0.000 1.099 108 V CA -0.911 61.395 62.300 0.010 0.000 0.989 108 V CB 2.041 33.865 31.823 0.002 0.000 1.040 108 V HN 0.802 nan 8.190 nan 0.000 0.434 109 D N 2.444 122.849 120.400 0.008 0.000 2.440 109 D HA 0.506 5.146 4.640 -0.000 0.000 0.269 109 D C 1.225 177.519 176.300 -0.011 0.000 1.249 109 D CA 0.118 54.123 54.000 0.008 0.000 1.055 109 D CB 0.721 41.530 40.800 0.014 0.000 1.104 109 D HN 0.804 nan 8.370 nan 0.000 0.561 110 A N -0.905 121.902 122.820 -0.021 0.000 2.067 110 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 110 A C 2.164 179.683 177.584 -0.108 0.000 1.158 110 A CA 0.757 52.760 52.037 -0.056 0.000 0.661 110 A CB -0.842 18.126 19.000 -0.053 0.000 0.801 110 A HN 0.517 nan 8.150 nan 0.000 0.452 111 L N -1.387 119.777 121.223 -0.099 0.000 2.591 111 L HA 0.217 4.557 4.340 -0.000 0.000 0.228 111 L C 1.581 178.413 176.870 -0.064 0.000 1.133 111 L CA 0.537 55.310 54.840 -0.112 0.000 0.880 111 L CB -0.042 41.969 42.059 -0.081 0.000 1.033 111 L HN 0.543 nan 8.230 nan 0.000 0.450 112 G N -0.121 108.652 108.800 -0.045 0.000 2.132 112 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.234 112 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.234 112 G C -0.052 174.834 174.900 -0.022 0.000 0.989 112 G CA -0.314 44.766 45.100 -0.033 0.000 0.676 112 G HN 0.340 nan 8.290 nan 0.000 0.522 113 N N 0.745 119.437 118.700 -0.014 0.000 2.498 113 N HA 0.611 5.351 4.740 -0.000 0.000 0.287 113 N C 0.547 176.057 175.510 -0.000 0.000 1.097 113 N CA 0.471 53.518 53.050 -0.005 0.000 0.973 113 N CB 1.487 39.976 38.487 0.004 0.000 1.153 113 N HN 0.671 nan 8.380 nan 0.000 0.472 114 A N 1.547 124.368 122.820 0.000 0.000 2.477 114 A HA 0.291 4.611 4.320 -0.000 0.000 0.246 114 A C 1.236 178.824 177.584 0.007 0.000 1.078 114 A CA -0.143 51.895 52.037 0.003 0.000 0.770 114 A CB -0.440 18.560 19.000 0.000 0.000 1.011 114 A HN 0.830 nan 8.150 nan 0.000 0.494 115 I N -1.052 119.524 120.570 0.009 0.000 4.338 115 I HA 0.238 4.408 4.170 -0.000 0.000 0.329 115 I C 0.431 176.554 176.117 0.009 0.000 1.378 115 I CA 0.124 61.431 61.300 0.012 0.000 1.170 115 I CB 0.481 38.491 38.000 0.016 0.000 1.206 115 I HN 0.474 nan 8.210 nan 0.000 0.432 116 D N 1.471 121.875 120.400 0.006 0.000 2.349 116 D HA 0.154 4.794 4.640 -0.000 0.000 0.215 116 D C 1.697 177.997 176.300 0.001 0.000 1.016 116 D CA 0.837 54.838 54.000 0.003 0.000 0.870 116 D CB 0.168 40.968 40.800 -0.000 0.000 0.917 116 D HN 0.467 nan 8.370 nan 0.000 0.524 117 G N 0.570 109.372 108.800 0.002 0.000 2.157 117 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.248 117 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.248 117 G C 0.813 175.713 174.900 0.000 0.000 0.979 117 G CA 0.313 45.415 45.100 0.002 0.000 0.650 117 G HN 0.448 nan 8.290 nan 0.000 0.529 118 K N 0.445 120.845 120.400 -0.001 0.000 2.410 118 K HA 0.469 4.789 4.320 -0.000 0.000 0.200 118 K C 1.449 178.048 176.600 -0.001 0.000 1.023 118 K CA 0.448 56.734 56.287 -0.002 0.000 1.149 118 K CB 0.505 33.004 32.500 -0.003 0.000 0.859 118 K HN 1.406 nan 8.250 nan 0.000 0.514 119 G N 2.275 111.074 108.800 -0.001 0.000 2.627 119 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.214 119 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.214 119 G C -2.683 172.215 174.900 -0.003 0.000 1.331 119 G CA -1.240 43.859 45.100 -0.001 0.000 0.891 119 G HN 0.027 nan 8.290 nan 0.000 0.539 120 P HA 0.364 nan 4.420 nan 0.000 0.269 120 P C 1.321 178.614 177.300 -0.012 0.000 1.209 120 P CA -0.640 62.456 63.100 -0.007 0.000 0.776 120 P CB 0.387 32.082 31.700 -0.007 0.000 0.876 121 I N 1.137 121.697 120.570 -0.017 0.000 2.252 121 I HA -0.071 4.099 4.170 -0.000 0.000 0.245 121 I C 1.722 177.821 176.117 -0.030 0.000 1.102 121 I CA 1.979 63.265 61.300 -0.024 0.000 1.385 121 I CB -1.800 36.181 38.000 -0.032 0.000 1.064 121 I HN 0.738 nan 8.210 nan 0.000 0.414 122 G N 0.936 109.717 108.800 -0.031 0.000 2.131 122 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.223 122 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.223 122 G C 0.558 175.428 174.900 -0.049 0.000 0.990 122 G CA 0.530 45.610 45.100 -0.033 0.000 0.671 122 G HN 0.479 nan 8.290 nan 0.000 0.521 123 S N -0.507 115.155 115.700 -0.063 0.000 2.568 123 S HA 0.424 4.894 4.470 -0.000 0.000 0.282 123 S C 1.455 176.008 174.600 -0.079 0.000 1.338 123 S CA 0.869 59.013 58.200 -0.093 0.000 1.045 123 S CB 0.658 63.795 63.200 -0.105 0.000 0.873 123 S HN 0.416 nan 8.310 nan 0.000 0.516 124 K N 1.776 122.119 120.400 -0.095 0.000 2.380 124 K HA 0.345 4.665 4.320 -0.000 0.000 0.198 124 K C 0.138 176.700 176.600 -0.064 0.000 1.070 124 K CA 0.070 56.318 56.287 -0.066 0.000 1.040 124 K CB 0.828 33.296 32.500 -0.053 0.000 0.903 124 K HN 0.599 nan 8.250 nan 0.000 0.549 125 A N 1.373 124.135 122.820 -0.096 0.000 2.479 125 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 125 A C -1.046 176.487 177.584 -0.086 0.000 1.121 125 A CA -0.789 51.202 52.037 -0.078 0.000 0.743 125 A CB 1.389 20.346 19.000 -0.072 0.000 1.323 125 A HN 0.070 nan 8.150 nan 0.000 0.415 126 R N -0.072 120.397 120.500 -0.052 0.000 2.808 126 R HA 0.712 5.052 4.340 -0.000 0.000 0.272 126 R C -1.161 175.126 176.300 -0.022 0.000 0.995 126 R CA -0.847 55.226 56.100 -0.044 0.000 0.917 126 R CB 2.645 32.926 30.300 -0.032 0.000 1.217 126 R HN 0.762 nan 8.270 nan 0.000 0.471 127 R N 0.970 121.459 120.500 -0.018 0.000 2.673 127 R HA 0.372 4.712 4.340 -0.000 0.000 0.281 127 R C -0.719 175.580 176.300 -0.002 0.000 0.991 127 R CA -1.099 55.001 56.100 -0.001 0.000 0.896 127 R CB 2.525 32.832 30.300 0.012 0.000 1.201 127 R HN 0.352 nan 8.270 nan 0.000 0.457 128 R N 1.179 121.681 120.500 0.003 0.000 2.538 128 R HA -0.040 4.300 4.340 -0.000 0.000 0.282 128 R C 1.574 177.872 176.300 -0.003 0.000 1.009 128 R CA 0.021 56.121 56.100 -0.000 0.000 1.063 128 R CB 0.526 30.828 30.300 0.003 0.000 0.945 128 R HN 0.534 nan 8.270 nan 0.000 0.414 129 V N 1.186 121.091 119.914 -0.014 0.000 2.759 129 V HA -0.001 4.119 4.120 -0.000 0.000 0.256 129 V C 1.306 177.370 176.094 -0.050 0.000 1.080 129 V CA 1.878 64.169 62.300 -0.015 0.000 1.101 129 V CB -0.181 31.624 31.823 -0.031 0.000 0.698 129 V HN 0.861 nan 8.190 nan 0.000 0.477 130 G N 0.050 108.802 108.800 -0.079 0.000 3.434 130 G HA2 0.274 4.234 3.960 -0.000 0.000 0.258 130 G HA3 0.274 4.234 3.960 -0.000 0.000 0.258 130 G C 0.395 175.259 174.900 -0.060 0.000 1.128 130 G CA -0.350 44.672 45.100 -0.131 0.000 0.792 130 G HN 0.365 nan 8.290 nan 0.000 0.539 131 L N 1.295 122.505 121.223 -0.021 0.000 2.499 131 L HA 0.171 4.511 4.340 -0.000 0.000 0.273 131 L C 0.676 177.549 176.870 0.004 0.000 1.195 131 L CA 0.241 55.082 54.840 0.001 0.000 0.882 131 L CB 0.690 42.757 42.059 0.013 0.000 1.133 131 L HN 0.132 nan 8.230 nan 0.000 0.483 132 K N 3.450 123.858 120.400 0.013 0.000 2.436 132 K HA 0.239 4.559 4.320 -0.000 0.000 0.275 132 K C 0.066 176.674 176.600 0.013 0.000 0.999 132 K CA -0.262 56.036 56.287 0.020 0.000 0.980 132 K CB 0.763 33.283 32.500 0.032 0.000 0.919 132 K HN 0.750 nan 8.250 nan 0.000 0.484 133 A N 5.321 128.148 122.820 0.011 0.000 2.466 133 A HA 0.225 4.545 4.320 -0.000 0.000 0.238 133 A C -2.118 175.455 177.584 -0.017 0.000 1.074 133 A CA -1.097 50.940 52.037 -0.000 0.000 0.774 133 A CB -0.490 18.510 19.000 -0.001 0.000 1.015 133 A HN 0.637 nan 8.150 nan 0.000 0.498 134 P HA 0.176 nan 4.420 nan 0.000 0.265 134 P C 0.731 177.979 177.300 -0.087 0.000 1.187 134 P CA 0.707 63.749 63.100 -0.097 0.000 0.766 134 P CB 0.419 32.030 31.700 -0.149 0.000 0.820 135 G N 1.431 110.171 108.800 -0.100 0.000 2.489 135 G HA2 0.119 4.079 3.960 -0.000 0.000 0.271 135 G HA3 0.119 4.079 3.960 -0.000 0.000 0.271 135 G C 1.082 175.932 174.900 -0.083 0.000 1.427 135 G CA -0.590 44.469 45.100 -0.068 0.000 1.057 135 G HN 0.416 nan 8.290 nan 0.000 0.532 136 I N -0.216 120.322 120.570 -0.054 0.000 2.142 136 I HA -0.139 4.031 4.170 -0.000 0.000 0.240 136 I C 2.580 178.657 176.117 -0.066 0.000 1.078 136 I CA 0.702 61.975 61.300 -0.046 0.000 1.343 136 I CB -0.107 37.881 38.000 -0.020 0.000 1.046 136 I HN 0.253 nan 8.210 nan 0.000 0.405 137 I N 0.915 121.445 120.570 -0.068 0.000 2.226 137 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 137 I C -0.397 175.646 176.117 -0.123 0.000 1.100 137 I CA 1.685 62.952 61.300 -0.055 0.000 1.374 137 I CB -2.431 35.567 38.000 -0.004 0.000 1.057 137 I HN 0.172 nan 8.210 nan 0.000 0.413 138 P HA -0.014 nan 4.420 nan 0.000 0.242 138 P C 0.229 177.317 177.300 -0.352 0.000 1.197 138 P CA 0.745 63.424 63.100 -0.700 0.000 0.765 138 P CB 0.045 30.926 31.700 -1.365 0.000 0.936 139 R N -0.427 119.969 120.500 -0.175 0.000 2.758 139 R HA 0.755 5.095 4.340 -0.000 0.000 0.265 139 R C -0.342 175.938 176.300 -0.032 0.000 1.016 139 R CA -0.946 55.100 56.100 -0.090 0.000 1.040 139 R CB 1.638 31.893 30.300 -0.074 0.000 1.152 139 R HN -0.013 nan 8.270 nan 0.000 0.503 140 I N -0.272 120.292 120.570 -0.011 0.000 2.994 140 I HA 0.217 4.386 4.170 -0.000 0.000 0.306 140 I C -0.555 175.563 176.117 0.002 0.000 1.195 140 I CA -0.683 60.618 61.300 0.003 0.000 1.001 140 I CB 2.416 40.426 38.000 0.017 0.000 1.244 140 I HN 0.824 nan 8.210 nan 0.000 0.437 141 S N 4.710 120.411 115.700 0.002 0.000 2.558 141 S HA 0.200 4.670 4.470 -0.000 0.000 0.288 141 S C 0.021 174.619 174.600 -0.002 0.000 1.318 141 S CA -0.572 57.627 58.200 -0.001 0.000 1.056 141 S CB 0.896 64.096 63.200 -0.000 0.000 0.853 141 S HN 0.747 nan 8.310 nan 0.000 0.505 142 V N 2.233 122.143 119.914 -0.006 0.000 2.585 142 V HA 0.443 4.563 4.120 -0.000 0.000 0.296 142 V C 0.702 176.783 176.094 -0.021 0.000 1.035 142 V CA -0.075 62.217 62.300 -0.013 0.000 1.084 142 V CB 0.471 32.284 31.823 -0.016 0.000 0.953 142 V HN 1.053 nan 8.190 nan 0.000 0.483 143 R N 1.633 122.113 120.500 -0.033 0.000 2.591 143 R HA 0.251 4.591 4.340 -0.000 0.000 0.288 143 R C -0.134 176.128 176.300 -0.063 0.000 0.947 143 R CA -0.145 55.932 56.100 -0.038 0.000 1.085 143 R CB 0.758 31.042 30.300 -0.027 0.000 1.618 143 R HN 0.902 nan 8.270 nan 0.000 0.524 144 E N 2.270 122.414 120.200 -0.093 0.000 2.197 144 E HA 0.260 4.610 4.350 -0.000 0.000 0.281 144 E C -2.607 173.903 176.600 -0.150 0.000 0.995 144 E CA -2.272 54.042 56.400 -0.143 0.000 0.808 144 E CB 1.159 30.728 29.700 -0.219 0.000 1.093 144 E HN -0.145 nan 8.360 nan 0.000 0.394 145 P HA -0.053 nan 4.420 nan 0.000 0.266 145 P C -0.648 176.545 177.300 -0.177 0.000 1.195 145 P CA 0.083 63.100 63.100 -0.137 0.000 0.768 145 P CB 0.418 32.039 31.700 -0.132 0.000 0.838 146 M N 3.690 123.216 119.600 -0.124 0.000 2.036 146 M HA 0.148 4.628 4.480 -0.000 0.000 0.337 146 M C -0.755 175.509 176.300 -0.060 0.000 1.012 146 M CA -0.402 54.829 55.300 -0.114 0.000 0.962 146 M CB 0.359 32.911 32.600 -0.080 0.000 1.423 146 M HN 0.309 nan 8.290 nan 0.000 0.405 147 Q N 2.720 122.494 119.800 -0.044 0.000 2.294 147 Q HA 0.208 4.548 4.340 -0.000 0.000 0.257 147 Q C 1.206 177.262 176.000 0.093 0.000 0.955 147 Q CA 0.093 55.928 55.803 0.052 0.000 0.936 147 Q CB 1.090 29.915 28.738 0.144 0.000 1.188 147 Q HN 0.783 nan 8.270 nan 0.000 0.420 148 T N -1.434 113.154 114.554 0.056 0.000 3.009 148 T HA 0.112 4.462 4.350 -0.000 0.000 0.258 148 T C 1.260 175.988 174.700 0.046 0.000 1.063 148 T CA 0.718 62.846 62.100 0.047 0.000 1.139 148 T CB 0.105 68.988 68.868 0.025 0.000 0.890 148 T HN 0.823 nan 8.240 nan 0.000 0.471 149 G N 1.447 110.276 108.800 0.047 0.000 2.179 149 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.260 149 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.260 149 G C 0.006 174.917 174.900 0.020 0.000 0.977 149 G CA 0.137 45.255 45.100 0.031 0.000 0.641 149 G HN 0.673 nan 8.290 nan 0.000 0.533 150 I N 0.773 121.354 120.570 0.020 0.000 2.312 150 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 150 I C 1.568 177.696 176.117 0.019 0.000 1.008 150 I CA -0.745 60.563 61.300 0.014 0.000 1.226 150 I CB 1.397 39.402 38.000 0.009 0.000 1.371 150 I HN -0.027 nan 8.210 nan 0.000 0.468 151 K N 4.199 124.611 120.400 0.020 0.000 2.059 151 K HA -0.260 4.060 4.320 -0.000 0.000 0.212 151 K C 2.043 178.659 176.600 0.026 0.000 1.050 151 K CA 2.064 58.366 56.287 0.026 0.000 0.927 151 K CB -0.133 32.384 32.500 0.029 0.000 0.714 151 K HN 0.823 nan 8.250 nan 0.000 0.447 152 A N 0.491 123.326 122.820 0.025 0.000 2.015 152 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 152 A C 2.240 179.841 177.584 0.029 0.000 1.163 152 A CA 1.345 53.399 52.037 0.028 0.000 0.646 152 A CB -0.276 18.742 19.000 0.031 0.000 0.806 152 A HN 0.095 nan 8.150 nan 0.000 0.448 153 V N 0.079 120.007 119.914 0.023 0.000 2.341 153 V HA -0.118 4.002 4.120 -0.000 0.000 0.240 153 V C 1.972 178.077 176.094 0.019 0.000 1.035 153 V CA 1.772 64.084 62.300 0.020 0.000 1.033 153 V CB -0.793 31.038 31.823 0.013 0.000 0.678 153 V HN 0.411 nan 8.190 nan 0.000 0.464 154 D N 0.775 121.186 120.400 0.020 0.000 2.218 154 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 154 D C 2.374 178.686 176.300 0.020 0.000 0.976 154 D CA 1.758 55.769 54.000 0.019 0.000 0.853 154 D CB -0.115 40.700 40.800 0.024 0.000 0.939 154 D HN 0.595 nan 8.370 nan 0.000 0.481 155 S N -0.404 115.311 115.700 0.024 0.000 2.371 155 S HA 0.020 4.490 4.470 -0.000 0.000 0.219 155 S C 1.983 176.597 174.600 0.024 0.000 1.040 155 S CA 0.276 58.492 58.200 0.026 0.000 0.958 155 S CB -0.332 62.886 63.200 0.030 0.000 0.860 155 S HN 0.206 nan 8.310 nan 0.000 0.487 156 L N 0.925 122.164 121.223 0.027 0.000 2.470 156 L HA 0.381 4.721 4.340 -0.000 0.000 0.219 156 L C 0.224 177.113 176.870 0.032 0.000 1.071 156 L CA 0.038 54.896 54.840 0.030 0.000 0.850 156 L CB 0.440 42.521 42.059 0.036 0.000 1.040 156 L HN 0.208 nan 8.230 nan 0.000 0.475 157 V N -0.267 119.663 119.914 0.028 0.000 2.711 157 V HA 0.250 4.370 4.120 -0.000 0.000 0.335 157 V C -2.432 173.670 176.094 0.013 0.000 1.235 157 V CA -1.239 61.076 62.300 0.025 0.000 1.250 157 V CB -0.231 31.610 31.823 0.029 0.000 1.469 157 V HN 0.005 nan 8.190 nan 0.000 0.646 158 P HA 0.174 nan 4.420 nan 0.000 0.265 158 P C -0.455 176.841 177.300 -0.008 0.000 1.193 158 P CA 0.389 63.489 63.100 0.000 0.000 0.765 158 P CB 1.289 32.988 31.700 -0.001 0.000 0.823 159 I N 1.971 122.531 120.570 -0.015 0.000 2.428 159 I HA 0.489 4.659 4.170 -0.000 0.000 0.296 159 I C 1.164 177.259 176.117 -0.037 0.000 0.985 159 I CA -0.452 60.834 61.300 -0.024 0.000 1.260 159 I CB 0.934 38.919 38.000 -0.026 0.000 1.389 159 I HN 0.366 nan 8.210 nan 0.000 0.484 160 G N 4.673 113.450 108.800 -0.038 0.000 2.432 160 G HA2 0.532 4.492 3.960 -0.000 0.000 0.331 160 G HA3 0.532 4.492 3.960 -0.000 0.000 0.331 160 G C -0.421 174.446 174.900 -0.055 0.000 1.170 160 G CA -0.901 44.167 45.100 -0.052 0.000 0.943 160 G HN 0.509 nan 8.290 nan 0.000 0.483 161 R N 0.185 120.636 120.500 -0.080 0.000 2.404 161 R HA 0.392 4.732 4.340 -0.000 0.000 0.315 161 R C 1.178 177.468 176.300 -0.017 0.000 1.032 161 R CA 1.168 57.225 56.100 -0.072 0.000 0.992 161 R CB 0.669 30.870 30.300 -0.165 0.000 0.959 161 R HN 1.122 nan 8.270 nan 0.000 0.428 162 G N 1.870 110.674 108.800 0.007 0.000 2.179 162 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 162 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 162 G C 0.189 175.091 174.900 0.004 0.000 0.990 162 G CA -0.214 44.896 45.100 0.018 0.000 0.646 162 G HN 0.575 nan 8.290 nan 0.000 0.517 163 Q N -0.009 119.786 119.800 -0.007 0.000 2.368 163 Q HA 0.633 4.973 4.340 -0.000 0.000 0.237 163 Q C -0.037 175.957 176.000 -0.010 0.000 0.987 163 Q CA -0.407 55.390 55.803 -0.010 0.000 0.896 163 Q CB 0.403 29.131 28.738 -0.016 0.000 1.241 163 Q HN 0.309 nan 8.270 nan 0.000 0.485 164 R N 1.934 122.427 120.500 -0.011 0.000 2.343 164 R HA 0.331 4.671 4.340 -0.000 0.000 0.320 164 R C -1.377 174.907 176.300 -0.027 0.000 0.956 164 R CA -0.526 55.565 56.100 -0.016 0.000 0.836 164 R CB 1.593 31.885 30.300 -0.014 0.000 1.151 164 R HN 0.446 nan 8.270 nan 0.000 0.450 165 E N 2.679 122.857 120.200 -0.038 0.000 2.244 165 E HA 0.285 4.635 4.350 -0.000 0.000 0.260 165 E C -1.506 175.050 176.600 -0.074 0.000 0.884 165 E CA -0.880 55.489 56.400 -0.051 0.000 0.777 165 E CB 0.969 30.644 29.700 -0.041 0.000 1.197 165 E HN 0.399 nan 8.360 nan 0.000 0.416 166 L N 5.430 126.590 121.223 -0.105 0.000 2.380 166 L HA 0.459 4.799 4.340 -0.000 0.000 0.273 166 L C -0.957 175.813 176.870 -0.166 0.000 1.138 166 L CA 0.220 54.975 54.840 -0.142 0.000 0.832 166 L CB 0.480 42.429 42.059 -0.183 0.000 1.124 166 L HN 0.651 nan 8.230 nan 0.000 0.454 167 I N 6.912 127.398 120.570 -0.140 0.000 2.330 167 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 167 I C -0.321 175.704 176.117 -0.153 0.000 1.001 167 I CA -0.117 61.103 61.300 -0.135 0.000 1.193 167 I CB 1.170 39.121 38.000 -0.081 0.000 1.345 167 I HN 0.556 nan 8.210 nan 0.000 0.461 168 I N 5.537 125.987 120.570 -0.200 0.000 2.533 168 I HA 0.859 5.029 4.170 -0.000 0.000 0.290 168 I C -0.317 175.753 176.117 -0.078 0.000 1.056 168 I CA 0.046 61.241 61.300 -0.174 0.000 1.057 168 I CB 1.806 39.629 38.000 -0.295 0.000 1.240 168 I HN 0.720 nan 8.210 nan 0.000 0.423 169 G N 5.072 113.854 108.800 -0.030 0.000 2.349 169 G HA2 0.196 4.156 3.960 -0.000 0.000 0.294 169 G HA3 0.196 4.156 3.960 -0.000 0.000 0.294 169 G C -1.903 172.991 174.900 -0.010 0.000 1.380 169 G CA -0.715 44.389 45.100 0.007 0.000 0.811 169 G HN 0.473 nan 8.290 nan 0.000 0.519 170 D N 0.226 120.620 120.400 -0.011 0.000 2.384 170 D HA 0.339 4.979 4.640 -0.000 0.000 0.244 170 D C 1.256 177.524 176.300 -0.052 0.000 1.251 170 D CA -0.128 53.865 54.000 -0.011 0.000 0.961 170 D CB 0.446 41.252 40.800 0.010 0.000 1.116 170 D HN 0.672 nan 8.370 nan 0.000 0.484 171 R N 0.238 120.722 120.500 -0.027 0.000 2.638 171 R HA -0.032 4.308 4.340 -0.000 0.000 0.268 171 R C -0.245 175.993 176.300 -0.104 0.000 1.006 171 R CA 0.048 56.125 56.100 -0.039 0.000 1.088 171 R CB -0.185 30.117 30.300 0.004 0.000 0.950 171 R HN 0.387 nan 8.270 nan 0.000 0.419 172 Q N 0.050 119.765 119.800 -0.142 0.000 2.468 172 Q HA -0.177 4.163 4.340 -0.000 0.000 0.289 172 Q C -0.071 175.509 176.000 -0.700 0.000 1.299 172 Q CA 1.302 56.951 55.803 -0.257 0.000 0.838 172 Q CB -1.556 27.127 28.738 -0.092 0.000 1.195 172 Q HN 0.990 nan 8.270 nan 0.000 0.456 173 T N -4.906 109.271 114.554 -0.628 0.000 3.044 173 T HA 0.458 4.808 4.350 -0.000 0.000 0.260 173 T C 1.120 175.466 174.700 -0.590 0.000 1.019 173 T CA 0.460 62.019 62.100 -0.902 0.000 0.921 173 T CB 1.182 69.804 68.868 -0.411 0.000 1.053 173 T HN 0.895 nan 8.240 nan 0.000 0.533 174 G N 1.783 110.368 108.800 -0.358 0.000 2.135 174 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.183 174 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.183 174 G C 0.703 175.562 174.900 -0.068 0.000 1.004 174 G CA 0.171 45.204 45.100 -0.111 0.000 0.677 174 G HN 0.487 nan 8.290 nan 0.000 0.512 175 K N -0.344 120.007 120.400 -0.081 0.000 2.002 175 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 175 K C 2.560 179.153 176.600 -0.011 0.000 1.048 175 K CA 1.846 58.105 56.287 -0.046 0.000 0.930 175 K CB -0.357 32.113 32.500 -0.051 0.000 0.714 175 K HN 0.289 nan 8.250 nan 0.000 0.438 176 T N 1.236 115.794 114.554 0.007 0.000 2.759 176 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 176 T C 2.091 176.808 174.700 0.029 0.000 1.042 176 T CA 1.587 63.720 62.100 0.055 0.000 1.140 176 T CB -0.206 68.708 68.868 0.076 0.000 0.864 176 T HN 0.167 nan 8.240 nan 0.000 0.455 177 S N 1.328 117.021 115.700 -0.011 0.000 2.370 177 S HA -0.061 4.409 4.470 -0.000 0.000 0.226 177 S C 2.037 176.612 174.600 -0.041 0.000 1.033 177 S CA 0.783 58.953 58.200 -0.051 0.000 1.011 177 S CB -0.382 62.763 63.200 -0.093 0.000 0.852 177 S HN 0.358 nan 8.310 nan 0.000 0.457 178 I N 2.078 122.636 120.570 -0.021 0.000 2.163 178 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 178 I C 2.768 178.891 176.117 0.010 0.000 1.085 178 I CA 1.507 62.801 61.300 -0.010 0.000 1.347 178 I CB -1.702 36.292 38.000 -0.009 0.000 1.044 178 I HN 0.270 nan 8.210 nan 0.000 0.408 179 A N 1.135 123.973 122.820 0.030 0.000 1.877 179 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 179 A C 2.229 179.852 177.584 0.066 0.000 1.186 179 A CA 1.308 53.383 52.037 0.063 0.000 0.620 179 A CB -0.531 18.545 19.000 0.127 0.000 0.822 179 A HN 0.278 nan 8.150 nan 0.000 0.443 180 I N 0.477 121.073 120.570 0.043 0.000 2.252 180 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 180 I C 1.667 177.820 176.117 0.060 0.000 1.102 180 I CA 1.457 62.772 61.300 0.026 0.000 1.385 180 I CB -1.590 36.421 38.000 0.018 0.000 1.064 180 I HN 0.253 nan 8.210 nan 0.000 0.414 181 D N 0.568 120.997 120.400 0.048 0.000 2.178 181 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 181 D C 2.167 178.500 176.300 0.054 0.000 0.980 181 D CA 1.271 55.303 54.000 0.054 0.000 0.842 181 D CB -0.155 40.645 40.800 0.001 0.000 0.948 181 D HN 0.265 nan 8.370 nan 0.000 0.472 182 T N 0.664 115.247 114.554 0.048 0.000 2.737 182 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 182 T C 2.211 176.960 174.700 0.081 0.000 1.038 182 T CA 0.523 62.656 62.100 0.055 0.000 1.144 182 T CB -0.129 68.763 68.868 0.040 0.000 0.866 182 T HN 0.158 nan 8.240 nan 0.000 0.434 183 I N 0.583 121.211 120.570 0.097 0.000 2.179 183 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 183 I C 2.242 178.491 176.117 0.219 0.000 1.088 183 I CA 1.333 62.727 61.300 0.157 0.000 1.357 183 I CB -0.363 37.705 38.000 0.114 0.000 1.051 183 I HN 0.206 nan 8.210 nan 0.000 0.409 184 I N 0.672 121.324 120.570 0.135 0.000 2.286 184 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 184 I C 2.232 178.409 176.117 0.099 0.000 1.115 184 I CA 1.360 62.736 61.300 0.126 0.000 1.392 184 I CB -0.531 37.518 38.000 0.083 0.000 1.065 184 I HN 0.304 nan 8.210 nan 0.000 0.418 185 N N 0.719 119.453 118.700 0.056 0.000 2.258 185 N HA -0.226 4.514 4.740 -0.000 0.000 0.187 185 N C 1.759 177.202 175.510 -0.111 0.000 1.012 185 N CA 1.255 54.292 53.050 -0.021 0.000 0.870 185 N CB 0.051 38.549 38.487 0.019 0.000 0.977 185 N HN 0.282 nan 8.380 nan 0.000 0.434 186 Q N 0.104 119.886 119.800 -0.030 0.000 2.435 186 Q HA -0.045 4.295 4.340 -0.000 0.000 0.207 186 Q C 1.646 177.441 176.000 -0.341 0.000 0.956 186 Q CA 0.431 56.164 55.803 -0.116 0.000 0.917 186 Q CB -0.139 28.486 28.738 -0.189 0.000 0.997 186 Q HN 0.511 nan 8.270 nan 0.000 0.497 187 K N 1.457 121.741 120.400 -0.193 0.000 2.074 187 K HA -0.199 4.120 4.320 -0.000 0.000 0.209 187 K C 2.062 178.542 176.600 -0.201 0.000 1.048 187 K CA 1.303 57.538 56.287 -0.087 0.000 0.926 187 K CB 0.028 32.590 32.500 0.104 0.000 0.713 187 K HN 0.026 nan 8.250 nan 0.000 0.444 188 R N -0.477 119.817 120.500 -0.343 0.000 2.105 188 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 188 R C 2.113 178.169 176.300 -0.406 0.000 1.135 188 R CA 1.925 57.768 56.100 -0.428 0.000 0.967 188 R CB -0.205 29.715 30.300 -0.634 0.000 0.861 188 R HN 0.213 nan 8.270 nan 0.000 0.442 189 F N -0.034 119.828 119.950 -0.146 0.000 2.187 189 F HA -0.003 4.524 4.527 -0.000 0.000 0.295 189 F C 2.030 177.716 175.800 -0.191 0.000 1.091 189 F CA 0.223 58.127 58.000 -0.160 0.000 1.308 189 F CB -0.234 38.657 39.000 -0.183 0.000 1.030 189 F HN 0.010 nan 8.300 nan 0.000 0.487 190 N N 0.223 118.847 118.700 -0.127 0.000 2.381 190 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 190 N C 1.040 176.495 175.510 -0.091 0.000 1.025 190 N CA 1.094 54.020 53.050 -0.206 0.000 0.888 190 N CB -0.452 37.756 38.487 -0.466 0.000 0.965 190 N HN 0.251 nan 8.380 nan 0.000 0.438 191 D N -0.095 120.265 120.400 -0.067 0.000 2.289 191 D HA 0.045 4.685 4.640 -0.000 0.000 0.207 191 D C 1.344 177.633 176.300 -0.019 0.000 0.966 191 D CA 0.380 54.363 54.000 -0.029 0.000 0.868 191 D CB -0.112 40.668 40.800 -0.033 0.000 0.943 191 D HN 0.167 nan 8.370 nan 0.000 0.514 192 G N -0.508 108.282 108.800 -0.016 0.000 2.504 192 G HA2 0.226 4.186 3.960 -0.000 0.000 0.257 192 G HA3 0.226 4.186 3.960 -0.000 0.000 0.257 192 G C 0.945 175.850 174.900 0.009 0.000 1.451 192 G CA 0.182 45.282 45.100 0.001 0.000 1.059 192 G HN 0.024 nan 8.290 nan 0.000 0.550 193 T N -0.525 114.037 114.554 0.014 0.000 3.044 193 T HA 0.096 4.446 4.350 -0.000 0.000 0.237 193 T C 0.864 175.573 174.700 0.014 0.000 1.001 193 T CA 0.094 62.202 62.100 0.013 0.000 1.160 193 T CB -0.166 68.708 68.868 0.011 0.000 0.889 193 T HN 0.409 nan 8.240 nan 0.000 0.442 194 D N 2.902 123.311 120.400 0.015 0.000 2.497 194 D HA -0.074 4.566 4.640 -0.000 0.000 0.285 194 D C 0.944 177.242 176.300 -0.003 0.000 1.452 194 D CA 0.269 54.272 54.000 0.005 0.000 1.132 194 D CB 0.332 41.133 40.800 0.002 0.000 1.132 194 D HN 0.295 nan 8.370 nan 0.000 0.555 195 E N 2.322 122.526 120.200 0.008 0.000 2.274 195 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 195 E C 1.458 178.078 176.600 0.034 0.000 0.996 195 E CA 0.566 56.978 56.400 0.020 0.000 0.840 195 E CB 0.245 29.967 29.700 0.037 0.000 0.772 195 E HN 0.501 nan 8.360 nan 0.000 0.491 196 K N 0.500 120.912 120.400 0.020 0.000 2.362 196 K HA -0.063 4.257 4.320 -0.000 0.000 0.200 196 K C 1.814 178.366 176.600 -0.079 0.000 1.046 196 K CA 0.690 56.997 56.287 0.033 0.000 0.952 196 K CB 0.148 32.646 32.500 -0.003 0.000 0.753 196 K HN -0.049 nan 8.250 nan 0.000 0.466 197 K N 0.639 120.962 120.400 -0.128 0.000 2.379 197 K HA 0.051 4.371 4.320 -0.000 0.000 0.194 197 K C 0.023 176.472 176.600 -0.250 0.000 1.031 197 K CA 0.151 56.267 56.287 -0.286 0.000 1.037 197 K CB 0.404 32.715 32.500 -0.315 0.000 0.824 197 K HN 0.049 nan 8.250 nan 0.000 0.516 198 K N 1.312 121.632 120.400 -0.133 0.000 2.414 198 K HA 0.106 4.425 4.320 -0.000 0.000 0.272 198 K C -0.555 175.880 176.600 -0.274 0.000 0.993 198 K CA -0.025 56.134 56.287 -0.213 0.000 0.964 198 K CB 0.525 32.877 32.500 -0.247 0.000 0.925 198 K HN -0.150 nan 8.250 nan 0.000 0.487 199 L N 3.292 124.250 121.223 -0.440 0.000 2.528 199 L HA 0.281 4.621 4.340 -0.000 0.000 0.267 199 L C -1.768 174.813 176.870 -0.481 0.000 0.961 199 L CA -0.375 54.258 54.840 -0.345 0.000 0.866 199 L CB 0.996 42.942 42.059 -0.188 0.000 1.248 199 L HN 0.453 nan 8.230 nan 0.000 0.404 200 Y N 3.251 123.404 120.300 -0.246 0.000 2.308 200 Y HA 0.549 5.099 4.550 -0.000 0.000 0.329 200 Y C 0.424 176.213 175.900 -0.184 0.000 1.111 200 Y CA -0.229 57.688 58.100 -0.305 0.000 1.179 200 Y CB 1.154 39.079 38.460 -0.891 0.000 1.201 200 Y HN 0.518 nan 8.280 nan 0.000 0.483 201 C N 4.349 123.734 119.300 0.141 0.000 2.435 201 C HA 0.732 5.192 4.460 -0.000 0.000 0.333 201 C C -0.132 174.914 174.990 0.094 0.000 1.202 201 C CA -1.172 57.913 59.018 0.112 0.000 1.830 201 C CB 0.396 28.242 27.740 0.176 0.000 2.326 201 C HN 0.659 nan 8.230 nan 0.000 0.507 202 I N 1.850 122.453 120.570 0.056 0.000 2.468 202 I HA 0.252 4.421 4.170 -0.000 0.000 0.285 202 I C -1.073 175.057 176.117 0.022 0.000 1.039 202 I CA -0.338 60.990 61.300 0.047 0.000 1.074 202 I CB 1.032 39.043 38.000 0.019 0.000 1.228 202 I HN 0.638 nan 8.210 nan 0.000 0.436 203 Y N 7.265 127.534 120.300 -0.053 0.000 2.353 203 Y HA 0.609 5.159 4.550 -0.000 0.000 0.340 203 Y C -0.718 175.150 175.900 -0.053 0.000 0.972 203 Y CA -0.694 57.367 58.100 -0.065 0.000 1.157 203 Y CB 1.076 39.513 38.460 -0.040 0.000 1.157 203 Y HN 0.264 nan 8.280 nan 0.000 0.495 204 V N 6.300 125.922 119.914 -0.487 0.000 2.350 204 V HA 0.649 4.769 4.120 -0.000 0.000 0.276 204 V C 0.034 175.852 176.094 -0.459 0.000 1.028 204 V CA -0.716 61.401 62.300 -0.305 0.000 0.860 204 V CB 0.780 32.533 31.823 -0.117 0.000 0.990 204 V HN 0.914 nan 8.190 nan 0.000 0.453 205 A N 6.671 129.366 122.820 -0.208 0.000 2.249 205 A HA 0.855 5.175 4.320 -0.000 0.000 0.314 205 A C -0.624 176.943 177.584 -0.028 0.000 1.290 205 A CA -0.344 51.643 52.037 -0.084 0.000 0.893 205 A CB 0.124 19.212 19.000 0.146 0.000 1.165 205 A HN 0.773 nan 8.150 nan 0.000 0.530 206 I N 2.152 122.704 120.570 -0.030 0.000 2.382 206 I HA 0.561 4.731 4.170 -0.000 0.000 0.285 206 I C 1.079 177.212 176.117 0.027 0.000 1.007 206 I CA 0.410 61.711 61.300 0.001 0.000 1.142 206 I CB 1.751 39.741 38.000 -0.016 0.000 1.289 206 I HN 0.983 nan 8.210 nan 0.000 0.453 207 G N 3.584 112.411 108.800 0.044 0.000 2.159 207 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.256 207 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.256 207 G C 0.238 175.168 174.900 0.051 0.000 0.977 207 G CA -0.294 44.837 45.100 0.052 0.000 0.652 207 G HN 0.573 nan 8.290 nan 0.000 0.531 208 Q N -0.062 119.770 119.800 0.054 0.000 2.318 208 Q HA 0.489 4.829 4.340 -0.000 0.000 0.222 208 Q C 0.455 176.487 176.000 0.054 0.000 1.003 208 Q CA -0.344 55.494 55.803 0.059 0.000 0.936 208 Q CB 0.822 29.607 28.738 0.079 0.000 1.204 208 Q HN 0.362 nan 8.270 nan 0.000 0.524 209 K N 0.897 121.327 120.400 0.050 0.000 2.237 209 K HA 0.122 4.442 4.320 -0.000 0.000 0.270 209 K C 0.987 177.613 176.600 0.043 0.000 1.015 209 K CA -0.140 56.172 56.287 0.043 0.000 0.949 209 K CB 0.771 33.293 32.500 0.037 0.000 0.976 209 K HN 0.444 nan 8.250 nan 0.000 0.472 210 R N 0.712 121.235 120.500 0.037 0.000 2.081 210 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 210 R C 2.400 178.717 176.300 0.028 0.000 1.131 210 R CA 2.006 58.126 56.100 0.034 0.000 0.960 210 R CB -0.269 30.048 30.300 0.029 0.000 0.856 210 R HN 0.786 nan 8.270 nan 0.000 0.436 211 S N -0.019 115.696 115.700 0.025 0.000 2.370 211 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 211 S C 1.961 176.573 174.600 0.020 0.000 1.033 211 S CA 1.855 60.067 58.200 0.020 0.000 1.011 211 S CB -0.620 62.593 63.200 0.020 0.000 0.852 211 S HN 0.208 nan 8.310 nan 0.000 0.457 212 T N 2.194 116.765 114.554 0.028 0.000 2.746 212 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 212 T C 1.915 176.629 174.700 0.023 0.000 1.039 212 T CA 1.412 63.530 62.100 0.030 0.000 1.142 212 T CB -0.555 68.340 68.868 0.044 0.000 0.866 212 T HN 0.317 nan 8.240 nan 0.000 0.444 213 V N 1.654 121.589 119.914 0.036 0.000 2.427 213 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 213 V C 2.853 178.947 176.094 -0.000 0.000 1.051 213 V CA 1.538 63.859 62.300 0.035 0.000 1.048 213 V CB -1.152 30.711 31.823 0.067 0.000 0.666 213 V HN 0.511 nan 8.190 nan 0.000 0.456 214 A N -0.645 122.176 122.820 0.002 0.000 1.930 214 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 214 A C 2.181 179.751 177.584 -0.023 0.000 1.175 214 A CA 1.631 53.663 52.037 -0.009 0.000 0.627 214 A CB -0.406 18.593 19.000 -0.001 0.000 0.815 214 A HN 0.595 nan 8.150 nan 0.000 0.443 215 Q N -1.015 118.775 119.800 -0.018 0.000 2.167 215 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 215 Q C 1.997 177.970 176.000 -0.045 0.000 0.970 215 Q CA 1.254 57.044 55.803 -0.023 0.000 0.855 215 Q CB -0.231 28.504 28.738 -0.005 0.000 0.911 215 Q HN 0.603 nan 8.270 nan 0.000 0.438 216 L N 0.325 121.511 121.223 -0.062 0.000 2.095 216 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 216 L C 2.132 178.917 176.870 -0.141 0.000 1.080 216 L CA 1.531 56.299 54.840 -0.120 0.000 0.759 216 L CB -0.989 40.959 42.059 -0.185 0.000 0.914 216 L HN 0.178 nan 8.230 nan 0.000 0.439 217 V N -1.344 118.504 119.914 -0.109 0.000 2.515 217 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 217 V C 2.592 178.633 176.094 -0.088 0.000 1.058 217 V CA 1.937 64.178 62.300 -0.098 0.000 1.064 217 V CB -1.184 30.602 31.823 -0.062 0.000 0.675 217 V HN 0.608 nan 8.190 nan 0.000 0.461 218 K N 0.894 121.249 120.400 -0.074 0.000 1.991 218 K HA -0.269 4.051 4.320 -0.000 0.000 0.212 218 K C 2.457 178.999 176.600 -0.096 0.000 1.049 218 K CA 2.165 58.409 56.287 -0.073 0.000 0.932 218 K CB -0.397 32.068 32.500 -0.057 0.000 0.717 218 K HN 0.395 nan 8.250 nan 0.000 0.441 219 R N 0.856 121.293 120.500 -0.106 0.000 2.096 219 R HA -0.098 4.242 4.340 -0.000 0.000 0.240 219 R C 2.220 178.434 176.300 -0.145 0.000 1.139 219 R CA 1.864 57.879 56.100 -0.143 0.000 0.952 219 R CB -0.727 29.497 30.300 -0.127 0.000 0.854 219 R HN 0.354 nan 8.270 nan 0.000 0.436 220 L N -0.654 120.488 121.223 -0.135 0.000 2.079 220 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 220 L C 2.192 178.973 176.870 -0.148 0.000 1.081 220 L CA 1.942 56.693 54.840 -0.148 0.000 0.752 220 L CB -0.638 41.320 42.059 -0.168 0.000 0.896 220 L HN 0.325 nan 8.230 nan 0.000 0.433 221 T N -1.408 113.072 114.554 -0.124 0.000 2.812 221 T HA -0.145 4.205 4.350 -0.000 0.000 0.264 221 T C 1.444 176.085 174.700 -0.097 0.000 1.042 221 T CA 1.217 63.254 62.100 -0.105 0.000 1.140 221 T CB -0.228 68.591 68.868 -0.082 0.000 0.870 221 T HN 0.273 nan 8.240 nan 0.000 0.445 222 D N 1.688 122.026 120.400 -0.103 0.000 2.149 222 D HA -0.034 4.605 4.640 -0.000 0.000 0.198 222 D C 2.013 178.250 176.300 -0.105 0.000 0.990 222 D CA 1.174 55.112 54.000 -0.104 0.000 0.839 222 D CB -0.287 40.437 40.800 -0.126 0.000 0.948 222 D HN 0.444 nan 8.370 nan 0.000 0.460 223 A N -0.048 122.702 122.820 -0.117 0.000 2.251 223 A HA 0.030 4.350 4.320 -0.000 0.000 0.209 223 A C 0.485 178.024 177.584 -0.076 0.000 1.187 223 A CA 0.496 52.475 52.037 -0.097 0.000 0.823 223 A CB 0.132 19.075 19.000 -0.096 0.000 0.846 223 A HN 0.050 nan 8.150 nan 0.000 0.486 224 D N -2.759 117.586 120.400 -0.091 0.000 2.800 224 D HA -0.203 4.437 4.640 -0.000 0.000 0.232 224 D C 0.788 176.992 176.300 -0.160 0.000 1.137 224 D CA 1.012 54.960 54.000 -0.088 0.000 0.718 224 D CB -1.306 39.473 40.800 -0.035 0.000 1.084 224 D HN 0.517 nan 8.370 nan 0.000 0.432 225 A N -0.702 121.953 122.820 -0.273 0.000 2.169 225 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 225 A C 2.127 179.251 177.584 -0.767 0.000 1.168 225 A CA 0.493 52.147 52.037 -0.638 0.000 0.813 225 A CB -0.019 18.761 19.000 -0.366 0.000 0.861 225 A HN 0.293 nan 8.150 nan 0.000 0.481 226 M N 1.011 120.382 119.600 -0.381 0.000 2.229 226 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 226 M C 2.039 178.210 176.300 -0.215 0.000 1.063 226 M CA 1.907 57.053 55.300 -0.257 0.000 1.114 226 M CB -0.910 31.604 32.600 -0.144 0.000 1.387 226 M HN 0.695 nan 8.290 nan 0.000 0.420 227 K N 0.327 120.612 120.400 -0.191 0.000 2.281 227 K HA -0.187 4.133 4.320 -0.000 0.000 0.203 227 K C 1.071 177.710 176.600 0.064 0.000 1.046 227 K CA 1.767 58.029 56.287 -0.041 0.000 0.938 227 K CB -0.738 31.773 32.500 0.020 0.000 0.737 227 K HN 0.510 nan 8.250 nan 0.000 0.458 228 Y N -0.493 119.843 120.300 0.060 0.000 2.584 228 Y HA 0.454 5.004 4.550 -0.000 0.000 0.254 228 Y C -0.542 175.412 175.900 0.090 0.000 1.177 228 Y CA -1.058 57.104 58.100 0.103 0.000 1.216 228 Y CB -0.013 38.458 38.460 0.019 0.000 1.172 228 Y HN -0.207 nan 8.280 nan 0.000 0.529 229 T N 2.689 117.237 114.554 -0.009 0.000 2.856 229 T HA 0.606 4.956 4.350 -0.000 0.000 0.283 229 T C -0.514 174.216 174.700 0.050 0.000 1.008 229 T CA -0.471 61.640 62.100 0.019 0.000 0.997 229 T CB 2.004 70.811 68.868 -0.102 0.000 0.992 229 T HN 0.129 nan 8.240 nan 0.000 0.454 230 I N 2.259 122.881 120.570 0.086 0.000 2.378 230 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 230 I C -0.536 175.630 176.117 0.081 0.000 0.992 230 I CA -1.114 60.234 61.300 0.081 0.000 1.154 230 I CB 1.775 39.839 38.000 0.106 0.000 1.315 230 I HN 0.233 nan 8.210 nan 0.000 0.448 231 V N 7.147 127.102 119.914 0.068 0.000 2.394 231 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 231 V C 0.001 176.139 176.094 0.073 0.000 1.031 231 V CA -0.614 61.748 62.300 0.102 0.000 0.881 231 V CB 1.866 33.746 31.823 0.096 0.000 0.982 231 V HN 0.405 nan 8.190 nan 0.000 0.451 232 V N 3.993 123.948 119.914 0.068 0.000 2.384 232 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 232 V C 0.045 176.161 176.094 0.036 0.000 1.020 232 V CA -0.195 62.125 62.300 0.033 0.000 0.850 232 V CB 1.764 33.592 31.823 0.009 0.000 0.987 232 V HN 0.840 nan 8.190 nan 0.000 0.436 233 S N 3.716 119.437 115.700 0.036 0.000 2.647 233 S HA 0.792 5.262 4.470 -0.000 0.000 0.300 233 S C -0.405 174.215 174.600 0.034 0.000 1.129 233 S CA -0.199 58.027 58.200 0.044 0.000 1.029 233 S CB 1.221 64.458 63.200 0.061 0.000 1.007 233 S HN 1.097 nan 8.310 nan 0.000 0.484 234 A N 4.204 127.044 122.820 0.033 0.000 2.360 234 A HA 0.661 4.981 4.320 -0.000 0.000 0.309 234 A C 0.450 178.064 177.584 0.050 0.000 1.311 234 A CA -0.597 51.466 52.037 0.044 0.000 0.805 234 A CB 0.296 19.325 19.000 0.048 0.000 1.144 234 A HN 0.847 nan 8.150 nan 0.000 0.486 235 T N -0.822 113.763 114.554 0.052 0.000 2.867 235 T HA 0.598 4.948 4.350 -0.000 0.000 0.286 235 T C 1.533 176.264 174.700 0.052 0.000 1.022 235 T CA 0.113 62.243 62.100 0.052 0.000 0.933 235 T CB 0.824 69.721 68.868 0.048 0.000 1.280 235 T HN 1.017 nan 8.240 nan 0.000 0.566 236 A N 0.577 123.426 122.820 0.048 0.000 1.972 236 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 236 A C 2.387 179.998 177.584 0.044 0.000 1.169 236 A CA 1.791 53.856 52.037 0.046 0.000 0.635 236 A CB -1.258 17.768 19.000 0.042 0.000 0.810 236 A HN 1.055 nan 8.150 nan 0.000 0.446 237 S N -0.647 115.077 115.700 0.041 0.000 2.556 237 S HA 0.113 4.583 4.470 -0.000 0.000 0.216 237 S C -0.312 174.313 174.600 0.042 0.000 0.970 237 S CA -0.342 57.880 58.200 0.037 0.000 0.912 237 S CB -0.192 63.027 63.200 0.030 0.000 0.790 237 S HN 0.341 nan 8.310 nan 0.000 0.504 238 D N 3.028 123.459 120.400 0.051 0.000 2.304 238 D HA 0.561 5.201 4.640 -0.000 0.000 0.250 238 D C 0.410 176.754 176.300 0.073 0.000 1.107 238 D CA 0.084 54.121 54.000 0.063 0.000 0.885 238 D CB 1.360 42.202 40.800 0.069 0.000 1.192 238 D HN 0.432 nan 8.370 nan 0.000 0.436 239 A N 1.854 124.720 122.820 0.077 0.000 2.547 239 A HA 0.278 4.598 4.320 -0.000 0.000 0.233 239 A C 1.525 179.177 177.584 0.114 0.000 1.067 239 A CA 0.505 52.590 52.037 0.080 0.000 0.763 239 A CB 0.131 19.175 19.000 0.073 0.000 1.007 239 A HN 0.657 nan 8.150 nan 0.000 0.506 240 A N 2.763 125.645 122.820 0.102 0.000 1.917 240 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 240 A C -0.144 177.571 177.584 0.218 0.000 1.182 240 A CA 2.148 54.267 52.037 0.136 0.000 0.633 240 A CB -1.708 17.350 19.000 0.098 0.000 0.819 240 A HN 0.653 nan 8.150 nan 0.000 0.448 241 P HA -0.100 nan 4.420 nan 0.000 0.221 241 P C 1.294 178.912 177.300 0.529 0.000 1.145 241 P CA 0.741 64.063 63.100 0.370 0.000 0.795 241 P CB -0.085 31.756 31.700 0.234 0.000 0.775 242 L N -1.072 120.369 121.223 0.362 0.000 2.109 242 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 242 L C 2.513 179.490 176.870 0.179 0.000 1.086 242 L CA 1.375 56.365 54.840 0.250 0.000 0.760 242 L CB -0.783 41.379 42.059 0.171 0.000 0.910 242 L HN 0.010 nan 8.230 nan 0.000 0.437 243 Q N -1.043 118.870 119.800 0.189 0.000 2.123 243 Q HA -0.234 4.106 4.340 -0.000 0.000 0.199 243 Q C 2.074 178.176 176.000 0.171 0.000 0.966 243 Q CA 1.602 57.492 55.803 0.144 0.000 0.845 243 Q CB -0.297 28.524 28.738 0.138 0.000 0.907 243 Q HN 0.476 nan 8.270 nan 0.000 0.439 244 Y N 1.499 121.892 120.300 0.154 0.000 2.128 244 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 244 Y C 1.998 178.025 175.900 0.211 0.000 1.154 244 Y CA 1.455 59.670 58.100 0.192 0.000 1.149 244 Y CB -0.278 38.347 38.460 0.275 0.000 0.976 244 Y HN 0.111 nan 8.280 nan 0.000 0.505 245 L N 0.793 122.072 121.223 0.092 0.000 2.109 245 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 245 L C 2.539 179.368 176.870 -0.068 0.000 1.086 245 L CA 1.857 56.676 54.840 -0.034 0.000 0.760 245 L CB -1.422 40.589 42.059 -0.080 0.000 0.910 245 L HN 0.317 nan 8.230 nan 0.000 0.437 246 A N 0.518 123.300 122.820 -0.062 0.000 1.896 246 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 246 A C 0.082 177.606 177.584 -0.100 0.000 1.206 246 A CA 2.585 54.582 52.037 -0.067 0.000 0.647 246 A CB -2.268 16.711 19.000 -0.034 0.000 0.828 246 A HN 0.462 nan 8.150 nan 0.000 0.455 247 P HA -0.116 nan 4.420 nan 0.000 0.217 247 P C 0.920 178.042 177.300 -0.297 0.000 1.150 247 P CA 1.207 64.138 63.100 -0.281 0.000 0.832 247 P CB -0.213 31.039 31.700 -0.747 0.000 0.787 248 Y N -0.407 119.776 120.300 -0.195 0.000 2.200 248 Y HA -0.138 4.412 4.550 -0.000 0.000 0.290 248 Y C 2.621 178.467 175.900 -0.091 0.000 1.137 248 Y CA 1.247 59.244 58.100 -0.172 0.000 1.163 248 Y CB -1.126 37.181 38.460 -0.255 0.000 0.988 248 Y HN -0.078 nan 8.280 nan 0.000 0.518 249 S N -0.061 115.660 115.700 0.034 0.000 2.348 249 S HA -0.169 4.301 4.470 -0.000 0.000 0.221 249 S C 2.419 177.032 174.600 0.022 0.000 1.033 249 S CA 1.211 59.412 58.200 0.003 0.000 1.010 249 S CB -1.071 62.103 63.200 -0.042 0.000 0.891 249 S HN 0.656 nan 8.310 nan 0.000 0.442 250 G N 0.341 109.159 108.800 0.031 0.000 2.446 250 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 250 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 250 G C 1.763 176.710 174.900 0.079 0.000 1.168 250 G CA 1.128 46.256 45.100 0.048 0.000 0.771 250 G HN 0.589 nan 8.290 nan 0.000 0.551 251 C N 0.695 120.070 119.300 0.125 0.000 2.413 251 C HA -0.053 4.407 4.460 -0.000 0.000 0.276 251 C C 3.290 178.341 174.990 0.103 0.000 1.248 251 C CA 1.808 60.909 59.018 0.139 0.000 1.742 251 C CB -1.035 26.797 27.740 0.155 0.000 2.017 251 C HN 0.369 nan 8.230 nan 0.000 0.481 252 S N 0.609 116.357 115.700 0.080 0.000 2.370 252 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 252 S C 1.726 176.364 174.600 0.064 0.000 1.033 252 S CA 2.143 60.379 58.200 0.061 0.000 1.011 252 S CB -0.411 62.810 63.200 0.035 0.000 0.852 252 S HN 0.677 nan 8.310 nan 0.000 0.457 253 M N 0.995 120.632 119.600 0.061 0.000 2.159 253 M HA -0.057 4.422 4.480 -0.000 0.000 0.263 253 M C 2.480 178.896 176.300 0.193 0.000 1.063 253 M CA 1.501 56.842 55.300 0.068 0.000 1.110 253 M CB -0.837 31.807 32.600 0.073 0.000 1.374 253 M HN 0.456 nan 8.290 nan 0.000 0.411 254 G N -0.074 108.861 108.800 0.225 0.000 2.408 254 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 254 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 254 G C 1.358 176.424 174.900 0.276 0.000 1.150 254 G CA 0.641 45.933 45.100 0.320 0.000 0.776 254 G HN 0.491 nan 8.290 nan 0.000 0.542 255 E N -0.723 119.572 120.200 0.158 0.000 2.204 255 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 255 E C 1.920 178.556 176.600 0.059 0.000 0.989 255 E CA 0.533 56.994 56.400 0.101 0.000 0.824 255 E CB -0.204 29.540 29.700 0.073 0.000 0.756 255 E HN 0.647 nan 8.360 nan 0.000 0.477 256 Y N 0.377 120.611 120.300 -0.110 0.000 2.165 256 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 256 Y C 1.605 177.325 175.900 -0.301 0.000 1.155 256 Y CA 1.637 59.581 58.100 -0.260 0.000 1.164 256 Y CB -0.303 37.900 38.460 -0.430 0.000 0.978 256 Y HN -0.055 nan 8.280 nan 0.000 0.513 257 F N 0.177 120.076 119.950 -0.085 0.000 2.113 257 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 257 F C 2.782 178.477 175.800 -0.175 0.000 1.103 257 F CA 1.643 59.526 58.000 -0.195 0.000 1.248 257 F CB -0.721 38.266 39.000 -0.022 0.000 0.999 257 F HN -0.130 nan 8.300 nan 0.000 0.475 258 R N 0.576 121.140 120.500 0.107 0.000 2.117 258 R HA -0.202 4.138 4.340 -0.000 0.000 0.243 258 R C 0.887 177.177 176.300 -0.018 0.000 1.143 258 R CA 2.144 58.270 56.100 0.043 0.000 0.968 258 R CB -0.380 29.961 30.300 0.069 0.000 0.863 258 R HN 0.214 nan 8.270 nan 0.000 0.444 259 D N -0.815 119.548 120.400 -0.062 0.000 2.360 259 D HA 0.050 4.690 4.640 -0.000 0.000 0.210 259 D C 0.166 176.393 176.300 -0.121 0.000 1.047 259 D CA 0.340 54.309 54.000 -0.051 0.000 0.854 259 D CB 0.236 41.023 40.800 -0.022 0.000 0.936 259 D HN 0.236 nan 8.370 nan 0.000 0.514 260 N N 0.038 118.604 118.700 -0.224 0.000 2.328 260 N HA 0.174 4.914 4.740 -0.000 0.000 0.247 260 N C 0.722 176.127 175.510 -0.175 0.000 1.165 260 N CA 0.081 52.977 53.050 -0.257 0.000 0.873 260 N CB 1.675 39.864 38.487 -0.498 0.000 1.125 260 N HN 0.068 nan 8.380 nan 0.000 0.513 261 G N 1.295 110.015 108.800 -0.134 0.000 2.143 261 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 261 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 261 G C 0.055 174.835 174.900 -0.201 0.000 0.991 261 G CA 0.319 45.341 45.100 -0.129 0.000 0.689 261 G HN 0.279 nan 8.290 nan 0.000 0.522 262 K N -0.268 120.017 120.400 -0.192 0.000 2.306 262 K HA 0.617 4.937 4.320 -0.000 0.000 0.236 262 K C -0.617 175.805 176.600 -0.297 0.000 1.013 262 K CA -0.987 55.212 56.287 -0.146 0.000 0.857 262 K CB 1.207 33.822 32.500 0.191 0.000 1.214 262 K HN 0.301 nan 8.250 nan 0.000 0.449 263 H N -0.101 119.070 119.070 0.167 0.000 2.481 263 H HA 0.487 5.043 4.556 -0.000 0.000 0.333 263 H C -0.832 174.537 175.328 0.068 0.000 1.066 263 H CA -0.625 55.472 56.048 0.080 0.000 1.209 263 H CB 1.832 31.586 29.762 -0.012 0.000 1.445 263 H HN 0.681 nan 8.280 nan 0.000 0.488 264 A N 3.137 126.047 122.820 0.150 0.000 2.380 264 A HA 0.577 4.897 4.320 -0.000 0.000 0.315 264 A C -1.176 176.431 177.584 0.038 0.000 1.101 264 A CA -0.723 51.343 52.037 0.048 0.000 0.771 264 A CB 1.812 20.861 19.000 0.081 0.000 1.287 264 A HN 0.498 nan 8.150 nan 0.000 0.436 265 L N 1.742 122.966 121.223 0.002 0.000 2.356 265 L HA 0.788 5.128 4.340 -0.000 0.000 0.277 265 L C -1.117 175.719 176.870 -0.056 0.000 0.996 265 L CA -0.377 54.451 54.840 -0.021 0.000 0.822 265 L CB 1.290 43.340 42.059 -0.014 0.000 1.256 265 L HN 0.686 nan 8.230 nan 0.000 0.413 266 I N 5.117 125.603 120.570 -0.139 0.000 2.433 266 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 266 I C -1.193 174.654 176.117 -0.450 0.000 1.001 266 I CA -0.614 60.502 61.300 -0.306 0.000 1.119 266 I CB 1.495 39.244 38.000 -0.418 0.000 1.289 266 I HN 0.633 nan 8.210 nan 0.000 0.438 267 I N 7.994 128.296 120.570 -0.447 0.000 2.362 267 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 267 I C -1.142 174.610 176.117 -0.609 0.000 0.994 267 I CA -0.063 60.987 61.300 -0.417 0.000 1.158 267 I CB 1.113 39.018 38.000 -0.159 0.000 1.315 267 I HN 0.342 nan 8.210 nan 0.000 0.451 268 Y N 4.299 124.447 120.300 -0.252 0.000 2.504 268 Y HA 0.387 4.937 4.550 -0.000 0.000 0.339 268 Y C -0.021 175.707 175.900 -0.286 0.000 0.974 268 Y CA -0.688 57.236 58.100 -0.293 0.000 1.232 268 Y CB 0.720 39.015 38.460 -0.275 0.000 1.108 268 Y HN 0.405 nan 8.280 nan 0.000 0.509 269 D N 3.882 124.145 120.400 -0.228 0.000 2.462 269 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 269 D C -1.267 174.974 176.300 -0.098 0.000 1.117 269 D CA -0.432 53.464 54.000 -0.174 0.000 0.900 269 D CB 0.344 41.001 40.800 -0.237 0.000 1.039 269 D HN 0.679 nan 8.370 nan 0.000 0.516 270 D N 0.372 120.740 120.400 -0.052 0.000 2.531 270 D HA 0.258 4.898 4.640 -0.000 0.000 0.244 270 D C 0.967 177.224 176.300 -0.072 0.000 1.090 270 D CA -0.745 53.219 54.000 -0.060 0.000 0.989 270 D CB 1.125 41.901 40.800 -0.041 0.000 1.433 270 D HN 0.076 nan 8.370 nan 0.000 0.492 271 L N 0.104 121.247 121.223 -0.134 0.000 2.395 271 L HA -0.017 4.323 4.340 -0.000 0.000 0.218 271 L C 1.797 178.645 176.870 -0.037 0.000 1.130 271 L CA 0.483 55.200 54.840 -0.205 0.000 0.826 271 L CB -0.331 41.372 42.059 -0.595 0.000 0.941 271 L HN 0.412 nan 8.230 nan 0.000 0.451 272 S N 0.122 115.812 115.700 -0.017 0.000 2.356 272 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 272 S C 1.937 176.599 174.600 0.103 0.000 1.032 272 S CA 1.217 59.450 58.200 0.056 0.000 1.005 272 S CB -0.064 63.162 63.200 0.043 0.000 0.867 272 S HN 0.384 nan 8.310 nan 0.000 0.449 273 K N 1.002 121.445 120.400 0.072 0.000 2.097 273 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 273 K C 2.426 179.095 176.600 0.114 0.000 1.050 273 K CA 0.743 57.082 56.287 0.088 0.000 0.938 273 K CB -0.202 32.333 32.500 0.059 0.000 0.718 273 K HN 0.392 nan 8.250 nan 0.000 0.442 274 Q N 0.864 120.722 119.800 0.097 0.000 2.050 274 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 274 Q C 2.052 178.181 176.000 0.216 0.000 0.980 274 Q CA 1.637 57.516 55.803 0.127 0.000 0.840 274 Q CB -0.089 28.677 28.738 0.046 0.000 0.898 274 Q HN 0.293 nan 8.270 nan 0.000 0.424 275 A N 0.599 123.555 122.820 0.228 0.000 1.933 275 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 275 A C 2.140 179.962 177.584 0.398 0.000 1.175 275 A CA 1.676 53.861 52.037 0.246 0.000 0.628 275 A CB -0.972 18.084 19.000 0.092 0.000 0.814 275 A HN 0.451 nan 8.150 nan 0.000 0.444 276 V N -2.042 118.071 119.914 0.332 0.000 2.667 276 V HA 0.032 4.152 4.120 -0.000 0.000 0.252 276 V C 2.350 178.554 176.094 0.182 0.000 1.065 276 V CA 1.936 64.392 62.300 0.260 0.000 1.083 276 V CB -0.887 31.041 31.823 0.175 0.000 0.692 276 V HN 0.518 nan 8.190 nan 0.000 0.468 277 A N -0.635 122.307 122.820 0.203 0.000 1.898 277 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 277 A C 2.163 179.883 177.584 0.225 0.000 1.181 277 A CA 1.835 53.986 52.037 0.191 0.000 0.620 277 A CB -0.984 18.144 19.000 0.214 0.000 0.819 277 A HN 0.750 nan 8.150 nan 0.000 0.442 278 Y N 0.569 120.965 120.300 0.161 0.000 2.242 278 Y HA -0.162 4.388 4.550 -0.000 0.000 0.291 278 Y C 2.481 178.436 175.900 0.090 0.000 1.137 278 Y CA 1.817 59.991 58.100 0.122 0.000 1.181 278 Y CB -0.358 38.212 38.460 0.184 0.000 0.989 278 Y HN 0.367 nan 8.280 nan 0.000 0.527 279 R N 0.286 120.850 120.500 0.107 0.000 2.096 279 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 279 R C 2.403 178.642 176.300 -0.101 0.000 1.127 279 R CA 1.800 57.884 56.100 -0.025 0.000 0.968 279 R CB -0.438 29.840 30.300 -0.036 0.000 0.861 279 R HN 0.543 nan 8.270 nan 0.000 0.440 280 Q N 0.397 120.170 119.800 -0.045 0.000 2.061 280 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 280 Q C 2.050 177.996 176.000 -0.090 0.000 0.984 280 Q CA 2.137 57.908 55.803 -0.052 0.000 0.846 280 Q CB -0.086 28.647 28.738 -0.007 0.000 0.902 280 Q HN 0.440 nan 8.270 nan 0.000 0.421 281 M N -0.079 119.451 119.600 -0.117 0.000 2.117 281 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 281 M C 2.351 178.510 176.300 -0.235 0.000 1.065 281 M CA 1.659 56.858 55.300 -0.168 0.000 1.114 281 M CB -0.017 32.470 32.600 -0.188 0.000 1.361 281 M HN 0.118 nan 8.290 nan 0.000 0.408 282 S N 0.701 116.187 115.700 -0.356 0.000 2.368 282 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 282 S C 1.881 176.379 174.600 -0.171 0.000 1.029 282 S CA 1.066 59.074 58.200 -0.320 0.000 0.988 282 S CB -0.424 62.523 63.200 -0.421 0.000 0.838 282 S HN 0.377 nan 8.310 nan 0.000 0.462 283 L N 1.099 122.238 121.223 -0.141 0.000 2.046 283 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 283 L C 2.185 179.007 176.870 -0.078 0.000 1.077 283 L CA 1.051 55.834 54.840 -0.094 0.000 0.747 283 L CB -0.620 41.388 42.059 -0.086 0.000 0.896 283 L HN 0.289 nan 8.230 nan 0.000 0.432 284 L N -0.628 120.546 121.223 -0.083 0.000 2.141 284 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 284 L C 2.278 179.110 176.870 -0.064 0.000 1.094 284 L CA 0.911 55.711 54.840 -0.066 0.000 0.763 284 L CB -0.324 41.697 42.059 -0.064 0.000 0.908 284 L HN 0.285 nan 8.230 nan 0.000 0.437 285 L N -0.293 120.882 121.223 -0.080 0.000 2.610 285 L HA 0.005 4.345 4.340 -0.000 0.000 0.232 285 L C 0.756 177.594 176.870 -0.054 0.000 1.149 285 L CA 0.255 55.054 54.840 -0.068 0.000 0.872 285 L CB -0.178 41.830 42.059 -0.085 0.000 0.992 285 L HN 0.284 nan 8.230 nan 0.000 0.447 286 R N -0.059 120.408 120.500 -0.055 0.000 3.641 286 R HA -0.185 4.155 4.340 -0.000 0.000 0.286 286 R C 0.009 176.287 176.300 -0.036 0.000 1.153 286 R CA 0.340 56.415 56.100 -0.042 0.000 0.775 286 R CB -1.973 28.309 30.300 -0.030 0.000 1.215 286 R HN 0.394 nan 8.270 nan 0.000 0.474 287 R N 1.165 121.637 120.500 -0.047 0.000 2.590 287 R HA 0.131 4.471 4.340 -0.000 0.000 0.274 287 R C -2.053 174.235 176.300 -0.019 0.000 1.061 287 R CA -1.412 54.669 56.100 -0.031 0.000 1.081 287 R CB 0.285 30.559 30.300 -0.043 0.000 0.984 287 R HN -0.093 nan 8.270 nan 0.000 0.448 288 P HA 0.085 nan 4.420 nan 0.000 0.276 288 P C -2.304 175.006 177.300 0.017 0.000 1.264 288 P CA -1.075 62.027 63.100 0.004 0.000 0.769 288 P CB 0.288 31.993 31.700 0.009 0.000 0.840 289 P HA 0.192 nan 4.420 nan 0.000 0.275 289 P C 0.324 177.641 177.300 0.029 0.000 1.228 289 P CA 0.115 63.229 63.100 0.024 0.000 0.786 289 P CB 1.256 32.950 31.700 -0.010 0.000 0.927 290 G N 2.397 111.233 108.800 0.059 0.000 3.310 290 G HA2 0.310 4.270 3.960 -0.000 0.000 0.176 290 G HA3 0.310 4.270 3.960 -0.000 0.000 0.176 290 G C -0.397 174.493 174.900 -0.018 0.000 1.307 290 G CA -0.838 44.267 45.100 0.008 0.000 0.935 290 G HN 0.386 nan 8.290 nan 0.000 0.628 291 R N 0.832 121.251 120.500 -0.135 0.000 2.585 291 R HA 0.201 4.541 4.340 -0.000 0.000 0.275 291 R C 0.026 176.388 176.300 0.103 0.000 1.018 291 R CA 0.594 56.615 56.100 -0.131 0.000 1.072 291 R CB 0.121 30.169 30.300 -0.419 0.000 0.953 291 R HN 0.692 nan 8.270 nan 0.000 0.419 292 E N 1.786 122.045 120.200 0.100 0.000 2.604 292 E HA -0.346 4.004 4.350 -0.000 0.000 0.255 292 E C 0.237 176.780 176.600 -0.094 0.000 1.164 292 E CA 0.455 56.903 56.400 0.080 0.000 0.737 292 E CB -1.084 28.767 29.700 0.251 0.000 1.317 292 E HN 0.864 nan 8.360 nan 0.000 0.417 293 A N -2.184 120.611 122.820 -0.042 0.000 2.861 293 A HA -0.305 4.015 4.320 -0.000 0.000 0.261 293 A C 0.011 177.537 177.584 -0.096 0.000 1.351 293 A CA 1.707 53.693 52.037 -0.085 0.000 0.904 293 A CB -2.213 16.708 19.000 -0.132 0.000 1.076 293 A HN 0.470 nan 8.150 nan 0.000 0.729 294 Y N 0.511 120.892 120.300 0.134 0.000 2.304 294 Y HA 0.446 4.996 4.550 -0.000 0.000 0.327 294 Y C -1.189 174.810 175.900 0.166 0.000 1.209 294 Y CA -1.290 56.919 58.100 0.182 0.000 1.299 294 Y CB 0.586 39.250 38.460 0.339 0.000 1.249 294 Y HN 0.256 nan 8.280 nan 0.000 0.519 295 P HA 0.027 nan 4.420 nan 0.000 0.274 295 P C 0.472 177.939 177.300 0.278 0.000 1.246 295 P CA -0.085 63.133 63.100 0.197 0.000 0.795 295 P CB 0.912 32.670 31.700 0.096 0.000 1.006 296 G N 1.000 109.929 108.800 0.215 0.000 2.509 296 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 296 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 296 G C 0.700 175.752 174.900 0.255 0.000 1.124 296 G CA 0.440 45.676 45.100 0.228 0.000 0.776 296 G HN 0.617 nan 8.290 nan 0.000 0.547 297 D N 0.879 121.445 120.400 0.275 0.000 2.342 297 D HA -0.014 4.626 4.640 -0.000 0.000 0.221 297 D C 2.200 178.684 176.300 0.306 0.000 1.101 297 D CA 0.399 54.593 54.000 0.324 0.000 0.837 297 D CB -0.367 40.647 40.800 0.357 0.000 0.938 297 D HN 0.266 nan 8.370 nan 0.000 0.508 298 V N -1.419 118.641 119.914 0.244 0.000 2.392 298 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 298 V C 2.327 178.343 176.094 -0.130 0.000 1.059 298 V CA 1.209 63.520 62.300 0.018 0.000 1.051 298 V CB -1.469 30.252 31.823 -0.169 0.000 0.658 298 V HN 0.148 nan 8.190 nan 0.000 0.455 299 F N 1.087 120.968 119.950 -0.114 0.000 2.069 299 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 299 F C 2.404 178.212 175.800 0.013 0.000 1.113 299 F CA 2.099 60.056 58.000 -0.072 0.000 1.214 299 F CB -0.621 38.385 39.000 0.008 0.000 0.978 299 F HN 0.192 nan 8.300 nan 0.000 0.474 300 Y N 0.689 120.976 120.300 -0.022 0.000 2.224 300 Y HA -0.195 4.355 4.550 -0.000 0.000 0.289 300 Y C 2.178 177.970 175.900 -0.180 0.000 1.146 300 Y CA 1.596 59.633 58.100 -0.104 0.000 1.182 300 Y CB -0.948 37.559 38.460 0.079 0.000 0.983 300 Y HN 0.239 nan 8.280 nan 0.000 0.524 301 L N 0.022 121.061 121.223 -0.307 0.000 2.034 301 L HA -0.337 4.003 4.340 -0.000 0.000 0.217 301 L C 2.145 178.801 176.870 -0.357 0.000 1.077 301 L CA 2.627 57.211 54.840 -0.427 0.000 0.769 301 L CB -0.821 40.915 42.059 -0.539 0.000 0.890 301 L HN 0.424 nan 8.230 nan 0.000 0.435 302 H N -2.260 116.586 119.070 -0.373 0.000 2.497 302 H HA 0.021 4.577 4.556 -0.000 0.000 0.282 302 H C 2.332 177.395 175.328 -0.442 0.000 1.003 302 H CA 0.660 56.459 56.048 -0.415 0.000 1.307 302 H CB 0.141 29.677 29.762 -0.377 0.000 1.437 302 H HN 0.539 nan 8.280 nan 0.000 0.544 303 S N 1.594 117.025 115.700 -0.449 0.000 2.368 303 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 303 S C 2.123 176.586 174.600 -0.230 0.000 1.029 303 S CA 0.994 58.929 58.200 -0.442 0.000 0.988 303 S CB -0.187 62.562 63.200 -0.752 0.000 0.838 303 S HN 0.521 nan 8.310 nan 0.000 0.462 304 R N 0.827 121.168 120.500 -0.264 0.000 2.092 304 R HA 0.063 4.403 4.340 -0.000 0.000 0.231 304 R C 2.348 178.581 176.300 -0.111 0.000 1.119 304 R CA 1.324 57.311 56.100 -0.189 0.000 0.970 304 R CB -0.833 29.232 30.300 -0.392 0.000 0.864 304 R HN 0.458 nan 8.270 nan 0.000 0.440 305 L N 1.190 122.335 121.223 -0.130 0.000 2.027 305 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 305 L C 2.108 178.890 176.870 -0.147 0.000 1.074 305 L CA 1.594 56.337 54.840 -0.162 0.000 0.745 305 L CB -0.208 41.580 42.059 -0.452 0.000 0.898 305 L HN 0.225 nan 8.230 nan 0.000 0.433 306 L N -0.762 120.362 121.223 -0.164 0.000 2.240 306 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 306 L C 2.416 179.259 176.870 -0.045 0.000 1.106 306 L CA 0.367 55.149 54.840 -0.096 0.000 0.793 306 L CB -0.594 41.389 42.059 -0.127 0.000 0.927 306 L HN 0.268 nan 8.230 nan 0.000 0.446 307 E N 0.664 120.833 120.200 -0.051 0.000 2.331 307 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 307 E C 2.041 178.636 176.600 -0.007 0.000 1.008 307 E CA 0.949 57.336 56.400 -0.021 0.000 0.843 307 E CB 0.001 29.694 29.700 -0.013 0.000 0.761 307 E HN 0.512 nan 8.360 nan 0.000 0.507 308 R N 0.221 120.721 120.500 0.000 0.000 2.240 308 R HA 0.127 4.467 4.340 -0.000 0.000 0.203 308 R C 0.858 177.177 176.300 0.032 0.000 1.011 308 R CA 0.301 56.412 56.100 0.018 0.000 1.007 308 R CB 0.227 30.546 30.300 0.032 0.000 0.911 308 R HN -0.084 nan 8.270 nan 0.000 0.468 309 A N 1.383 124.224 122.820 0.036 0.000 2.409 309 A HA 0.613 4.933 4.320 -0.000 0.000 0.267 309 A C -0.220 177.376 177.584 0.019 0.000 1.127 309 A CA -0.004 52.054 52.037 0.036 0.000 0.795 309 A CB 0.343 19.365 19.000 0.037 0.000 1.061 309 A HN 0.292 nan 8.150 nan 0.000 0.502 310 A N 2.451 125.284 122.820 0.022 0.000 2.612 310 A HA 0.698 5.018 4.320 -0.000 0.000 0.293 310 A C -0.798 176.799 177.584 0.023 0.000 1.075 310 A CA -0.772 51.271 52.037 0.009 0.000 0.680 310 A CB 1.135 20.129 19.000 -0.010 0.000 1.279 310 A HN 0.871 nan 8.150 nan 0.000 0.411 311 K N 1.698 122.108 120.400 0.016 0.000 2.265 311 K HA 0.629 4.949 4.320 -0.000 0.000 0.267 311 K C -0.616 175.994 176.600 0.016 0.000 0.994 311 K CA -0.317 55.990 56.287 0.033 0.000 0.860 311 K CB 0.540 33.056 32.500 0.027 0.000 1.099 311 K HN 0.585 nan 8.250 nan 0.000 0.448 312 M N 3.266 122.886 119.600 0.034 0.000 2.249 312 M HA 0.216 4.696 4.480 -0.000 0.000 0.351 312 M C 0.199 176.533 176.300 0.056 0.000 1.180 312 M CA -0.841 54.474 55.300 0.026 0.000 1.127 312 M CB 0.495 33.133 32.600 0.064 0.000 1.546 312 M HN 0.793 nan 8.290 nan 0.000 0.461 313 N N 1.110 119.847 118.700 0.062 0.000 2.354 313 N HA 0.027 4.767 4.740 -0.000 0.000 0.246 313 N C 0.066 175.656 175.510 0.133 0.000 1.285 313 N CA -0.042 53.064 53.050 0.093 0.000 0.925 313 N CB 0.453 38.996 38.487 0.094 0.000 1.174 313 N HN 0.416 nan 8.380 nan 0.000 0.478 314 D N -0.430 120.029 120.400 0.098 0.000 2.178 314 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 314 D C 1.647 177.989 176.300 0.069 0.000 0.974 314 D CA 1.540 55.583 54.000 0.072 0.000 0.841 314 D CB -0.584 40.243 40.800 0.045 0.000 0.953 314 D HN 0.715 nan 8.370 nan 0.000 0.478 315 A N -0.452 122.427 122.820 0.098 0.000 2.070 315 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 315 A C 1.273 178.799 177.584 -0.097 0.000 1.159 315 A CA 0.766 52.815 52.037 0.020 0.000 0.656 315 A CB -0.548 18.486 19.000 0.057 0.000 0.800 315 A HN 0.178 nan 8.150 nan 0.000 0.453 316 F N -1.103 118.840 119.950 -0.012 0.000 2.647 316 F HA 0.410 4.937 4.527 -0.000 0.000 0.300 316 F C 1.675 177.456 175.800 -0.031 0.000 1.106 316 F CA 0.419 58.408 58.000 -0.019 0.000 1.313 316 F CB 0.457 39.449 39.000 -0.013 0.000 1.007 316 F HN 0.322 nan 8.300 nan 0.000 0.536 317 G N -0.359 108.484 108.800 0.071 0.000 2.213 317 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.236 317 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.236 317 G C 1.337 176.247 174.900 0.016 0.000 0.991 317 G CA 0.016 45.126 45.100 0.017 0.000 0.629 317 G HN 1.103 nan 8.290 nan 0.000 0.517 318 G N -0.801 108.032 108.800 0.054 0.000 2.179 318 G HA2 0.161 4.121 3.960 -0.000 0.000 0.260 318 G HA3 0.161 4.121 3.960 -0.000 0.000 0.260 318 G C 1.622 176.544 174.900 0.037 0.000 0.977 318 G CA 1.107 46.240 45.100 0.056 0.000 0.641 318 G HN 2.149 nan 8.290 nan 0.000 0.533 319 G N -0.266 108.507 108.800 -0.045 0.000 2.683 319 G HA2 0.663 4.623 3.960 -0.000 0.000 0.260 319 G HA3 0.663 4.623 3.960 -0.000 0.000 0.260 319 G C 0.341 175.255 174.900 0.025 0.000 1.238 319 G CA 1.127 46.126 45.100 -0.167 0.000 0.934 319 G HN 1.857 nan 8.290 nan 0.000 0.534 320 S N -1.667 114.088 115.700 0.091 0.000 2.570 320 S HA 0.609 5.079 4.470 -0.000 0.000 0.270 320 S C -1.504 173.180 174.600 0.140 0.000 1.149 320 S CA -0.836 57.465 58.200 0.169 0.000 0.837 320 S CB 1.961 65.315 63.200 0.256 0.000 1.124 320 S HN 1.124 nan 8.310 nan 0.000 0.465 321 L N 1.480 122.761 121.223 0.097 0.000 2.406 321 L HA 0.747 5.087 4.340 -0.000 0.000 0.272 321 L C -0.766 176.132 176.870 0.047 0.000 0.980 321 L CA 0.210 55.099 54.840 0.082 0.000 0.831 321 L CB 1.838 43.946 42.059 0.082 0.000 1.253 321 L HN 0.928 nan 8.230 nan 0.000 0.406 322 T N 4.173 118.743 114.554 0.025 0.000 2.829 322 T HA 0.859 5.209 4.350 -0.000 0.000 0.282 322 T C -0.454 174.225 174.700 -0.034 0.000 0.990 322 T CA -0.230 61.868 62.100 -0.004 0.000 1.028 322 T CB 1.461 70.320 68.868 -0.015 0.000 0.951 322 T HN 0.816 nan 8.240 nan 0.000 0.460 323 A N 3.173 125.973 122.820 -0.033 0.000 2.343 323 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 323 A C -0.686 176.860 177.584 -0.063 0.000 1.104 323 A CA -0.738 51.261 52.037 -0.063 0.000 0.768 323 A CB 0.646 19.675 19.000 0.048 0.000 1.213 323 A HN 0.844 nan 8.150 nan 0.000 0.456 324 L N 4.334 125.488 121.223 -0.115 0.000 2.387 324 L HA 0.341 4.681 4.340 -0.000 0.000 0.259 324 L C -2.356 174.473 176.870 -0.069 0.000 1.050 324 L CA -1.792 52.999 54.840 -0.081 0.000 0.922 324 L CB 1.272 43.288 42.059 -0.071 0.000 1.280 324 L HN 0.465 nan 8.230 nan 0.000 0.449 325 P HA 0.153 nan 4.420 nan 0.000 0.275 325 P C -0.493 176.765 177.300 -0.071 0.000 1.228 325 P CA -0.173 62.935 63.100 0.014 0.000 0.786 325 P CB 1.910 33.573 31.700 -0.061 0.000 0.927 326 V N 4.019 123.885 119.914 -0.080 0.000 2.459 326 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 326 V C 0.293 176.325 176.094 -0.104 0.000 1.029 326 V CA -0.578 61.671 62.300 -0.086 0.000 0.874 326 V CB 1.682 33.469 31.823 -0.060 0.000 0.985 326 V HN 0.411 nan 8.190 nan 0.000 0.438 327 I N 3.457 123.967 120.570 -0.100 0.000 2.465 327 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 327 I C -0.001 176.087 176.117 -0.048 0.000 1.014 327 I CA -0.395 60.856 61.300 -0.082 0.000 1.093 327 I CB 2.066 40.007 38.000 -0.098 0.000 1.267 327 I HN 0.768 nan 8.210 nan 0.000 0.431 328 E N 5.114 125.303 120.200 -0.019 0.000 2.146 328 E HA 0.339 4.689 4.350 -0.000 0.000 0.282 328 E C -0.411 176.203 176.600 0.024 0.000 0.989 328 E CA -0.392 56.008 56.400 0.000 0.000 0.799 328 E CB 1.063 30.769 29.700 0.010 0.000 1.088 328 E HN 0.695 nan 8.360 nan 0.000 0.397 329 T N 2.029 116.602 114.554 0.031 0.000 2.874 329 T HA 0.271 4.621 4.350 -0.000 0.000 0.281 329 T C 0.043 174.777 174.700 0.057 0.000 0.994 329 T CA -0.974 61.160 62.100 0.056 0.000 1.015 329 T CB 1.397 70.309 68.868 0.074 0.000 1.028 329 T HN 0.347 nan 8.240 nan 0.000 0.523 330 Q N 0.548 120.388 119.800 0.067 0.000 2.347 330 Q HA 0.520 4.860 4.340 -0.000 0.000 0.262 330 Q C 0.468 176.505 176.000 0.061 0.000 0.980 330 Q CA -0.149 55.692 55.803 0.063 0.000 0.867 330 Q CB 1.206 29.985 28.738 0.069 0.000 1.242 330 Q HN 1.204 nan 8.270 nan 0.000 0.453 331 A N 2.457 125.311 122.820 0.057 0.000 2.704 331 A HA -0.159 4.161 4.320 -0.000 0.000 0.299 331 A C 1.119 178.738 177.584 0.058 0.000 1.507 331 A CA 1.378 53.449 52.037 0.056 0.000 0.776 331 A CB -2.114 16.916 19.000 0.050 0.000 1.027 331 A HN 1.530 nan 8.150 nan 0.000 0.475 332 G N -1.270 107.568 108.800 0.064 0.000 2.153 332 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.252 332 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.252 332 G C -0.115 174.829 174.900 0.073 0.000 0.994 332 G CA 0.960 46.102 45.100 0.070 0.000 0.698 332 G HN 1.591 nan 8.290 nan 0.000 0.521 333 D N 0.409 120.855 120.400 0.076 0.000 2.468 333 D HA 0.438 5.078 4.640 -0.000 0.000 0.218 333 D C 1.687 178.048 176.300 0.102 0.000 1.155 333 D CA 0.238 54.285 54.000 0.079 0.000 0.924 333 D CB 0.697 41.542 40.800 0.074 0.000 1.029 333 D HN 0.551 nan 8.370 nan 0.000 0.515 334 V N 0.890 120.874 119.914 0.117 0.000 3.541 334 V HA 0.109 4.229 4.120 -0.000 0.000 0.267 334 V C 1.479 177.657 176.094 0.140 0.000 1.213 334 V CA 0.366 62.766 62.300 0.168 0.000 1.149 334 V CB 0.116 32.104 31.823 0.275 0.000 0.822 334 V HN 0.281 nan 8.190 nan 0.000 0.462 335 S N 0.829 116.591 115.700 0.104 0.000 2.593 335 S HA 0.556 5.026 4.470 -0.000 0.000 0.217 335 S C 1.221 175.887 174.600 0.111 0.000 0.966 335 S CA 0.400 58.658 58.200 0.095 0.000 0.914 335 S CB -0.221 63.019 63.200 0.067 0.000 0.776 335 S HN 0.886 nan 8.310 nan 0.000 0.523 336 A N 0.232 123.126 122.820 0.123 0.000 2.327 336 A HA 0.377 4.697 4.320 -0.000 0.000 0.255 336 A C 0.782 178.488 177.584 0.203 0.000 1.099 336 A CA -0.222 51.907 52.037 0.153 0.000 0.801 336 A CB -0.124 18.964 19.000 0.146 0.000 1.062 336 A HN 0.492 nan 8.150 nan 0.000 0.496 337 Y N 0.199 120.539 120.300 0.067 0.000 2.070 337 Y HA -0.232 4.318 4.550 -0.000 0.000 0.280 337 Y C 1.902 177.806 175.900 0.008 0.000 1.148 337 Y CA 1.842 59.969 58.100 0.045 0.000 1.125 337 Y CB -0.040 38.457 38.460 0.063 0.000 0.975 337 Y HN 0.517 nan 8.280 nan 0.000 0.492 338 I N 0.555 121.061 120.570 -0.108 0.000 2.179 338 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 338 I C -0.574 175.509 176.117 -0.056 0.000 1.088 338 I CA 1.262 62.434 61.300 -0.214 0.000 1.357 338 I CB -2.954 34.908 38.000 -0.229 0.000 1.051 338 I HN 0.206 nan 8.210 nan 0.000 0.409 339 P HA -0.163 nan 4.420 nan 0.000 0.214 339 P C 1.840 179.174 177.300 0.057 0.000 1.163 339 P CA 2.593 65.712 63.100 0.032 0.000 0.889 339 P CB -0.343 31.402 31.700 0.074 0.000 0.790 340 T N -3.986 110.624 114.554 0.093 0.000 2.915 340 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 340 T C 1.705 176.475 174.700 0.118 0.000 1.071 340 T CA 1.209 63.377 62.100 0.113 0.000 1.132 340 T CB -1.061 67.886 68.868 0.132 0.000 0.878 340 T HN -0.040 nan 8.240 nan 0.000 0.479 341 N N 1.501 120.262 118.700 0.102 0.000 2.043 341 N HA -0.053 4.687 4.740 -0.000 0.000 0.193 341 N C 1.984 177.595 175.510 0.169 0.000 1.037 341 N CA 1.389 54.553 53.050 0.191 0.000 0.851 341 N CB -0.895 37.634 38.487 0.071 0.000 1.027 341 N HN 0.341 nan 8.380 nan 0.000 0.422 342 V N 1.464 121.407 119.914 0.050 0.000 2.358 342 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 342 V C 2.238 178.329 176.094 -0.005 0.000 1.047 342 V CA 1.058 63.343 62.300 -0.025 0.000 1.035 342 V CB -0.494 31.259 31.823 -0.115 0.000 0.658 342 V HN 0.231 nan 8.190 nan 0.000 0.452 343 I N 1.480 122.061 120.570 0.019 0.000 2.194 343 I HA -0.267 3.903 4.170 -0.000 0.000 0.246 343 I C 2.497 178.657 176.117 0.072 0.000 1.093 343 I CA 2.077 63.399 61.300 0.036 0.000 1.355 343 I CB -0.453 37.598 38.000 0.085 0.000 1.046 343 I HN 0.494 nan 8.210 nan 0.000 0.413 344 S N -0.050 115.720 115.700 0.118 0.000 2.607 344 S HA 0.093 4.563 4.470 -0.000 0.000 0.224 344 S C 1.560 176.272 174.600 0.187 0.000 0.969 344 S CA 0.334 58.627 58.200 0.154 0.000 0.927 344 S CB -0.403 62.905 63.200 0.181 0.000 0.772 344 S HN 0.459 nan 8.310 nan 0.000 0.533 345 I N 1.453 122.095 120.570 0.120 0.000 2.947 345 I HA 0.072 4.242 4.170 -0.000 0.000 0.263 345 I C 1.506 177.632 176.117 0.014 0.000 1.130 345 I CA 0.564 61.895 61.300 0.052 0.000 1.448 345 I CB -0.433 37.526 38.000 -0.068 0.000 1.222 345 I HN 0.338 nan 8.210 nan 0.000 0.453 346 T N -1.520 113.030 114.554 -0.007 0.000 2.754 346 T HA 0.110 4.460 4.350 -0.000 0.000 0.286 346 T C 0.272 174.972 174.700 -0.000 0.000 0.997 346 T CA -0.442 61.646 62.100 -0.020 0.000 0.982 346 T CB 0.764 69.603 68.868 -0.048 0.000 1.027 346 T HN 0.050 nan 8.240 nan 0.000 0.529 347 D N 0.427 120.823 120.400 -0.005 0.000 2.561 347 D HA 0.424 5.064 4.640 -0.000 0.000 0.232 347 D C 0.857 177.159 176.300 0.004 0.000 1.198 347 D CA 0.117 54.120 54.000 0.005 0.000 0.826 347 D CB -0.197 40.604 40.800 0.002 0.000 0.992 347 D HN 0.980 nan 8.370 nan 0.000 0.490 348 G N 0.460 109.259 108.800 -0.002 0.000 2.359 348 G HA2 0.235 4.194 3.960 -0.000 0.000 0.314 348 G HA3 0.235 4.194 3.960 -0.000 0.000 0.314 348 G C -1.886 172.984 174.900 -0.051 0.000 1.364 348 G CA -0.987 44.112 45.100 -0.001 0.000 0.978 348 G HN 0.039 nan 8.290 nan 0.000 0.615 349 Q N -1.077 118.681 119.800 -0.070 0.000 2.340 349 Q HA 0.692 5.032 4.340 -0.000 0.000 0.276 349 Q C -0.734 175.155 176.000 -0.185 0.000 1.048 349 Q CA -0.536 55.122 55.803 -0.241 0.000 0.832 349 Q CB 2.609 31.004 28.738 -0.573 0.000 1.373 349 Q HN 0.652 nan 8.270 nan 0.000 0.409 350 I N 2.358 122.798 120.570 -0.217 0.000 2.330 350 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 350 I C -0.933 175.089 176.117 -0.158 0.000 1.025 350 I CA -0.425 60.820 61.300 -0.091 0.000 1.197 350 I CB 0.424 38.395 38.000 -0.048 0.000 1.358 350 I HN 0.476 nan 8.210 nan 0.000 0.467 351 F N 6.815 126.770 119.950 0.008 0.000 2.421 351 F HA 0.392 4.919 4.527 -0.000 0.000 0.358 351 F C 0.195 176.001 175.800 0.009 0.000 1.115 351 F CA -0.327 57.677 58.000 0.007 0.000 1.160 351 F CB 0.641 39.649 39.000 0.013 0.000 1.123 351 F HN 0.189 nan 8.300 nan 0.000 0.508 352 L N 4.162 125.469 121.223 0.140 0.000 2.309 352 L HA 0.494 4.834 4.340 -0.000 0.000 0.282 352 L C -0.298 176.625 176.870 0.090 0.000 1.036 352 L CA -0.622 54.271 54.840 0.087 0.000 0.806 352 L CB 1.476 43.541 42.059 0.009 0.000 1.220 352 L HN 0.564 nan 8.230 nan 0.000 0.429 353 E N 0.901 121.154 120.200 0.088 0.000 2.222 353 E HA 0.250 4.600 4.350 -0.000 0.000 0.267 353 E C -0.043 176.611 176.600 0.089 0.000 0.884 353 E CA -0.512 55.938 56.400 0.085 0.000 0.764 353 E CB 2.378 32.131 29.700 0.088 0.000 1.169 353 E HN 0.535 nan 8.360 nan 0.000 0.413 354 T N 1.515 116.119 114.554 0.084 0.000 2.746 354 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 354 T C 1.379 176.214 174.700 0.226 0.000 1.039 354 T CA 0.989 63.170 62.100 0.135 0.000 1.142 354 T CB 0.053 69.021 68.868 0.167 0.000 0.866 354 T HN 0.360 nan 8.240 nan 0.000 0.444 355 E N 0.993 121.293 120.200 0.168 0.000 2.077 355 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 355 E C 2.320 179.004 176.600 0.140 0.000 0.989 355 E CA 0.814 57.305 56.400 0.152 0.000 0.800 355 E CB -0.333 29.425 29.700 0.098 0.000 0.746 355 E HN 0.474 nan 8.360 nan 0.000 0.452 356 L N -0.193 121.104 121.223 0.124 0.000 2.046 356 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 356 L C 2.481 179.413 176.870 0.103 0.000 1.077 356 L CA 0.961 55.864 54.840 0.105 0.000 0.747 356 L CB -0.535 41.584 42.059 0.101 0.000 0.896 356 L HN 0.069 nan 8.230 nan 0.000 0.432 357 F N 0.386 120.310 119.950 -0.043 0.000 2.026 357 F HA -0.302 4.225 4.527 -0.000 0.000 0.296 357 F C 2.279 178.004 175.800 -0.126 0.000 1.133 357 F CA 1.733 59.642 58.000 -0.151 0.000 1.188 357 F CB -0.489 38.316 39.000 -0.326 0.000 0.968 357 F HN -0.078 nan 8.300 nan 0.000 0.476 358 Y N 0.325 120.717 120.300 0.154 0.000 2.616 358 Y HA -0.010 4.540 4.550 -0.000 0.000 0.296 358 Y C 2.188 178.070 175.900 -0.030 0.000 1.154 358 Y CA 0.744 58.863 58.100 0.031 0.000 1.325 358 Y CB -0.705 37.851 38.460 0.159 0.000 1.007 358 Y HN 0.132 nan 8.280 nan 0.000 0.542 359 K N -0.603 119.855 120.400 0.097 0.000 2.365 359 K HA 0.075 4.394 4.320 -0.000 0.000 0.197 359 K C 1.362 177.949 176.600 -0.021 0.000 1.042 359 K CA 0.924 57.238 56.287 0.045 0.000 0.987 359 K CB -0.055 32.478 32.500 0.055 0.000 0.779 359 K HN 0.409 nan 8.250 nan 0.000 0.484 360 G N 0.640 109.374 108.800 -0.109 0.000 2.192 360 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.193 360 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.193 360 G C -0.074 174.745 174.900 -0.135 0.000 0.999 360 G CA -0.221 44.783 45.100 -0.158 0.000 0.659 360 G HN 0.122 nan 8.290 nan 0.000 0.503 361 I N 2.413 122.934 120.570 -0.082 0.000 2.372 361 I HA 0.343 4.513 4.170 -0.000 0.000 0.298 361 I C 0.767 176.861 176.117 -0.038 0.000 1.137 361 I CA 0.304 61.584 61.300 -0.033 0.000 1.314 361 I CB -0.658 37.353 38.000 0.019 0.000 1.444 361 I HN 0.169 nan 8.210 nan 0.000 0.541 362 R N 7.361 127.829 120.500 -0.054 0.000 2.575 362 R HA 0.461 4.801 4.340 -0.000 0.000 0.293 362 R C -2.576 173.720 176.300 -0.007 0.000 0.983 362 R CA -1.721 54.361 56.100 -0.030 0.000 0.887 362 R CB 2.341 32.573 30.300 -0.114 0.000 1.184 362 R HN 0.245 nan 8.270 nan 0.000 0.445 363 P HA 0.014 nan 4.420 nan 0.000 0.271 363 P C -0.291 177.055 177.300 0.076 0.000 1.216 363 P CA -0.127 63.007 63.100 0.056 0.000 0.776 363 P CB 0.892 32.614 31.700 0.035 0.000 0.881 364 A N 4.516 127.415 122.820 0.132 0.000 2.810 364 A HA 0.144 4.464 4.320 -0.000 0.000 0.247 364 A C 0.800 178.447 177.584 0.106 0.000 1.576 364 A CA -0.324 51.794 52.037 0.135 0.000 1.294 364 A CB -1.522 17.613 19.000 0.225 0.000 0.976 364 A HN 0.499 nan 8.150 nan 0.000 0.631 365 I N 1.114 121.737 120.570 0.088 0.000 2.533 365 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 365 I C 0.622 176.800 176.117 0.102 0.000 1.109 365 I CA -0.268 61.089 61.300 0.094 0.000 1.412 365 I CB 0.418 38.464 38.000 0.077 0.000 1.396 365 I HN 0.328 nan 8.210 nan 0.000 0.543 366 N N 6.967 125.741 118.700 0.123 0.000 2.421 366 N HA 0.041 4.781 4.740 -0.000 0.000 0.260 366 N C 0.732 176.302 175.510 0.100 0.000 1.173 366 N CA -0.006 53.102 53.050 0.098 0.000 0.960 366 N CB 1.049 39.577 38.487 0.069 0.000 1.273 366 N HN 0.427 nan 8.380 nan 0.000 0.497 367 V N 3.090 123.058 119.914 0.090 0.000 2.720 367 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 367 V C 2.237 178.374 176.094 0.071 0.000 1.082 367 V CA 1.980 64.330 62.300 0.084 0.000 1.101 367 V CB -0.979 30.890 31.823 0.078 0.000 0.693 367 V HN 0.694 nan 8.190 nan 0.000 0.479 368 G N 0.047 108.878 108.800 0.052 0.000 2.505 368 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.214 368 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.214 368 G C 1.480 176.379 174.900 -0.002 0.000 1.237 368 G CA 0.662 45.773 45.100 0.018 0.000 0.802 368 G HN 0.434 nan 8.290 nan 0.000 0.549 369 L N 1.041 122.226 121.223 -0.063 0.000 2.201 369 L HA 0.042 4.382 4.340 -0.000 0.000 0.212 369 L C 0.965 177.913 176.870 0.130 0.000 1.105 369 L CA 0.189 54.925 54.840 -0.173 0.000 0.775 369 L CB -0.345 41.298 42.059 -0.692 0.000 0.913 369 L HN 0.066 nan 8.230 nan 0.000 0.440 370 S N 0.650 116.505 115.700 0.259 0.000 2.455 370 S HA 0.322 4.792 4.470 -0.000 0.000 0.278 370 S C -0.051 174.658 174.600 0.181 0.000 1.216 370 S CA -0.463 57.938 58.200 0.334 0.000 1.055 370 S CB 0.953 64.294 63.200 0.235 0.000 0.939 370 S HN 0.139 nan 8.310 nan 0.000 0.494 371 V N 1.081 121.098 119.914 0.171 0.000 2.914 371 V HA 0.811 4.931 4.120 -0.000 0.000 0.314 371 V C -0.093 176.038 176.094 0.062 0.000 1.084 371 V CA -0.842 61.519 62.300 0.101 0.000 0.963 371 V CB 2.098 33.982 31.823 0.102 0.000 1.025 371 V HN 0.580 nan 8.190 nan 0.000 0.432 372 S N 1.333 117.058 115.700 0.043 0.000 2.601 372 S HA 0.431 4.901 4.470 -0.000 0.000 0.312 372 S C 0.856 175.470 174.600 0.023 0.000 1.107 372 S CA -0.723 57.492 58.200 0.024 0.000 1.129 372 S CB 0.508 63.718 63.200 0.016 0.000 0.982 372 S HN 0.799 nan 8.310 nan 0.000 0.469 373 R N 2.574 123.088 120.500 0.024 0.000 2.397 373 R HA -0.028 4.312 4.340 -0.000 0.000 0.213 373 R C 1.072 177.382 176.300 0.016 0.000 1.102 373 R CA 0.666 56.781 56.100 0.024 0.000 1.040 373 R CB -0.223 30.093 30.300 0.026 0.000 0.844 373 R HN 0.443 nan 8.270 nan 0.000 0.478 374 V N -0.779 119.141 119.914 0.011 0.000 2.521 374 V HA 0.150 4.270 4.120 -0.000 0.000 0.239 374 V C 1.564 177.662 176.094 0.006 0.000 1.053 374 V CA 1.247 63.550 62.300 0.005 0.000 1.073 374 V CB -0.152 31.670 31.823 -0.002 0.000 0.746 374 V HN 0.634 nan 8.190 nan 0.000 0.476 375 G N 0.470 109.275 108.800 0.008 0.000 2.527 375 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.268 375 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.268 375 G C 1.177 176.080 174.900 0.005 0.000 1.175 375 G CA 0.909 46.015 45.100 0.010 0.000 0.962 375 G HN 0.629 nan 8.290 nan 0.000 0.560 376 S N 0.683 116.386 115.700 0.006 0.000 2.420 376 S HA -0.013 4.457 4.470 -0.000 0.000 0.237 376 S C 2.781 177.380 174.600 -0.002 0.000 1.023 376 S CA 2.411 60.614 58.200 0.004 0.000 0.991 376 S CB -0.769 62.434 63.200 0.006 0.000 0.792 376 S HN 2.020 nan 8.310 nan 0.000 0.488 377 A N 0.807 123.625 122.820 -0.003 0.000 1.948 377 A HA 0.216 4.536 4.320 -0.000 0.000 0.220 377 A C 1.757 179.332 177.584 -0.015 0.000 1.177 377 A CA 1.635 53.668 52.037 -0.007 0.000 0.636 377 A CB -0.838 18.158 19.000 -0.006 0.000 0.815 377 A HN 0.999 nan 8.150 nan 0.000 0.449 378 A N -0.932 121.876 122.820 -0.019 0.000 3.154 378 A HA 0.569 4.889 4.320 -0.000 0.000 0.310 378 A C -0.012 177.553 177.584 -0.033 0.000 1.093 378 A CA -0.226 51.791 52.037 -0.032 0.000 1.006 378 A CB -0.119 18.859 19.000 -0.038 0.000 1.084 378 A HN 0.497 nan 8.150 nan 0.000 0.549 379 Q N 0.615 120.400 119.800 -0.025 0.000 2.315 379 Q HA 0.422 4.762 4.340 -0.000 0.000 0.273 379 Q C -0.400 175.590 176.000 -0.017 0.000 1.053 379 Q CA -0.569 55.223 55.803 -0.019 0.000 0.817 379 Q CB 1.939 30.673 28.738 -0.007 0.000 1.326 379 Q HN 0.533 nan 8.270 nan 0.000 0.423 380 T N 0.227 114.772 114.554 -0.016 0.000 2.940 380 T HA 0.044 4.394 4.350 -0.000 0.000 0.309 380 T C 0.949 175.648 174.700 -0.001 0.000 1.056 380 T CA -0.254 61.839 62.100 -0.012 0.000 1.137 380 T CB 1.054 69.916 68.868 -0.010 0.000 0.976 380 T HN 0.786 nan 8.240 nan 0.000 0.547 381 R N 2.757 123.257 120.500 -0.000 0.000 2.103 381 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 381 R C 2.486 178.796 176.300 0.016 0.000 1.142 381 R CA 2.142 58.246 56.100 0.007 0.000 0.960 381 R CB -1.298 29.005 30.300 0.005 0.000 0.858 381 R HN 0.880 nan 8.270 nan 0.000 0.439 382 A N -0.011 122.818 122.820 0.016 0.000 2.024 382 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 382 A C 2.134 179.741 177.584 0.039 0.000 1.164 382 A CA 1.644 53.698 52.037 0.027 0.000 0.643 382 A CB -0.419 18.592 19.000 0.018 0.000 0.806 382 A HN 0.363 nan 8.150 nan 0.000 0.451 383 M N -1.101 118.517 119.600 0.029 0.000 2.236 383 M HA -0.024 4.456 4.480 -0.000 0.000 0.266 383 M C 1.887 178.206 176.300 0.032 0.000 1.070 383 M CA 1.460 56.779 55.300 0.033 0.000 1.137 383 M CB -0.751 31.863 32.600 0.023 0.000 1.378 383 M HN 0.305 nan 8.290 nan 0.000 0.426 384 K N 0.254 120.669 120.400 0.025 0.000 2.103 384 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 384 K C 1.893 178.510 176.600 0.029 0.000 1.048 384 K CA 1.217 57.517 56.287 0.022 0.000 0.930 384 K CB -0.188 32.322 32.500 0.016 0.000 0.716 384 K HN 0.439 nan 8.250 nan 0.000 0.444 385 Q N -0.246 119.578 119.800 0.040 0.000 2.364 385 Q HA -0.086 4.254 4.340 -0.000 0.000 0.207 385 Q C 1.772 177.810 176.000 0.063 0.000 0.970 385 Q CA 1.289 57.123 55.803 0.052 0.000 0.888 385 Q CB 0.218 28.996 28.738 0.067 0.000 0.951 385 Q HN 0.357 nan 8.270 nan 0.000 0.469 386 V N -5.081 114.871 119.914 0.063 0.000 2.948 386 V HA 0.326 4.446 4.120 -0.000 0.000 0.234 386 V C 1.909 178.022 176.094 0.031 0.000 1.205 386 V CA 0.569 62.904 62.300 0.059 0.000 1.234 386 V CB -0.586 31.298 31.823 0.100 0.000 1.020 386 V HN 0.069 nan 8.190 nan 0.000 0.491 387 A N 1.383 124.222 122.820 0.033 0.000 2.119 387 A HA 0.207 4.527 4.320 -0.000 0.000 0.217 387 A C 2.064 179.658 177.584 0.017 0.000 1.153 387 A CA 1.371 53.422 52.037 0.023 0.000 0.692 387 A CB -1.189 17.826 19.000 0.026 0.000 0.799 387 A HN 0.840 nan 8.150 nan 0.000 0.458 388 G N -0.863 107.947 108.800 0.017 0.000 2.882 388 G HA2 0.110 4.070 3.960 -0.000 0.000 0.206 388 G HA3 0.110 4.070 3.960 -0.000 0.000 0.206 388 G C 1.075 175.979 174.900 0.006 0.000 1.155 388 G CA 1.575 46.683 45.100 0.012 0.000 0.800 388 G HN 0.650 nan 8.290 nan 0.000 0.524 389 T N -4.348 110.206 114.554 0.001 0.000 3.010 389 T HA 0.219 4.569 4.350 -0.000 0.000 0.253 389 T C 2.018 176.711 174.700 -0.011 0.000 0.939 389 T CA 0.008 62.103 62.100 -0.008 0.000 0.910 389 T CB -0.160 68.696 68.868 -0.020 0.000 1.226 389 T HN 0.075 nan 8.240 nan 0.000 0.508 390 M N 1.142 120.737 119.600 -0.008 0.000 2.200 390 M HA 0.126 4.606 4.480 -0.000 0.000 0.265 390 M C 2.228 178.530 176.300 0.002 0.000 1.066 390 M CA 1.615 56.908 55.300 -0.010 0.000 1.127 390 M CB -0.073 32.523 32.600 -0.005 0.000 1.379 390 M HN 0.157 nan 8.290 nan 0.000 0.420 391 K N 0.808 121.215 120.400 0.011 0.000 2.057 391 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 391 K C 1.372 177.986 176.600 0.023 0.000 1.049 391 K CA 1.739 58.039 56.287 0.021 0.000 0.931 391 K CB -0.485 32.028 32.500 0.022 0.000 0.714 391 K HN 0.307 nan 8.250 nan 0.000 0.440 392 L N 1.162 122.395 121.223 0.016 0.000 2.072 392 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 392 L C 1.878 178.761 176.870 0.023 0.000 1.079 392 L CA 1.568 56.418 54.840 0.017 0.000 0.752 392 L CB -0.625 41.440 42.059 0.009 0.000 0.906 392 L HN 0.209 nan 8.230 nan 0.000 0.436 393 E N -0.432 119.777 120.200 0.014 0.000 2.515 393 E HA -0.065 4.285 4.350 -0.000 0.000 0.201 393 E C 1.634 178.262 176.600 0.047 0.000 1.071 393 E CA 0.359 56.768 56.400 0.015 0.000 0.880 393 E CB 0.024 29.712 29.700 -0.020 0.000 0.828 393 E HN 0.479 nan 8.360 nan 0.000 0.540 394 L N -1.409 119.855 121.223 0.067 0.000 2.803 394 L HA 0.234 4.574 4.340 -0.000 0.000 0.246 394 L C 2.076 179.034 176.870 0.146 0.000 1.100 394 L CA 0.226 55.142 54.840 0.126 0.000 0.919 394 L CB 0.241 42.347 42.059 0.078 0.000 1.285 394 L HN 0.028 nan 8.230 nan 0.000 0.522 395 A N -0.237 122.632 122.820 0.082 0.000 1.975 395 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 395 A C 2.082 179.690 177.584 0.040 0.000 1.170 395 A CA 0.898 52.964 52.037 0.049 0.000 0.656 395 A CB -0.137 18.879 19.000 0.027 0.000 0.821 395 A HN 0.370 nan 8.150 nan 0.000 0.449 396 Q N -1.678 118.156 119.800 0.057 0.000 2.084 396 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 396 Q C 1.984 178.027 176.000 0.071 0.000 0.978 396 Q CA 1.865 57.698 55.803 0.050 0.000 0.844 396 Q CB -0.381 28.387 28.738 0.050 0.000 0.898 396 Q HN 0.851 nan 8.270 nan 0.000 0.426 397 Y N 1.280 121.572 120.300 -0.012 0.000 2.145 397 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 397 Y C 2.339 178.232 175.900 -0.011 0.000 1.145 397 Y CA 1.684 59.776 58.100 -0.012 0.000 1.148 397 Y CB -0.167 38.286 38.460 -0.011 0.000 0.981 397 Y HN -0.103 nan 8.280 nan 0.000 0.507 398 R N 0.345 120.734 120.500 -0.186 0.000 2.091 398 R HA -0.237 4.103 4.340 -0.000 0.000 0.238 398 R C 2.093 178.257 176.300 -0.226 0.000 1.136 398 R CA 2.121 58.057 56.100 -0.274 0.000 0.959 398 R CB -0.265 29.983 30.300 -0.088 0.000 0.856 398 R HN 0.452 nan 8.270 nan 0.000 0.437 399 E N -0.388 119.734 120.200 -0.131 0.000 2.086 399 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 399 E C 0.619 177.150 176.600 -0.115 0.000 1.012 399 E CA 1.686 58.028 56.400 -0.097 0.000 0.812 399 E CB 0.065 29.732 29.700 -0.056 0.000 0.743 399 E HN 0.131 nan 8.360 nan 0.000 0.453 400 V N 0.138 119.969 119.914 -0.139 0.000 2.135 400 V HA 0.524 4.644 4.120 -0.000 0.000 0.287 400 V C 0.026 176.005 176.094 -0.191 0.000 1.607 400 V CA 0.141 62.367 62.300 -0.123 0.000 1.585 400 V CB -0.480 31.301 31.823 -0.070 0.000 1.470 400 V HN 0.254 nan 8.190 nan 0.000 0.513 411 D N -0.173 120.226 120.400 -0.003 0.000 2.531 411 D HA 0.827 5.467 4.640 -0.000 0.000 0.244 411 D C -0.333 175.965 176.300 -0.004 0.000 1.090 411 D CA 0.167 54.166 54.000 -0.002 0.000 0.989 411 D CB 2.675 43.474 40.800 -0.000 0.000 1.433 411 D HN 0.599 nan 8.370 nan 0.000 0.492 412 A N 0.361 123.179 122.820 -0.004 0.000 3.176 412 A HA 0.573 4.893 4.320 -0.000 0.000 0.182 412 A C 1.332 178.913 177.584 -0.005 0.000 2.036 412 A CA 0.901 52.935 52.037 -0.005 0.000 0.938 412 A CB -1.014 17.983 19.000 -0.006 0.000 1.909 412 A HN 0.517 nan 8.150 nan 0.000 0.760 413 A N -1.225 121.591 122.820 -0.006 0.000 2.125 413 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 413 A C 2.049 179.634 177.584 0.001 0.000 1.156 413 A CA 2.465 54.498 52.037 -0.005 0.000 0.671 413 A CB -1.566 17.430 19.000 -0.007 0.000 0.794 413 A HN 1.038 nan 8.150 nan 0.000 0.459 414 T N -2.128 112.428 114.554 0.003 0.000 2.788 414 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 414 T C 1.912 176.623 174.700 0.018 0.000 1.044 414 T CA 1.545 63.651 62.100 0.009 0.000 1.139 414 T CB -0.302 68.569 68.868 0.004 0.000 0.867 414 T HN 0.574 nan 8.240 nan 0.000 0.454 415 Q N 0.408 120.216 119.800 0.013 0.000 2.137 415 Q HA 0.007 4.347 4.340 -0.000 0.000 0.198 415 Q C 2.537 178.548 176.000 0.019 0.000 0.960 415 Q CA 0.748 56.562 55.803 0.018 0.000 0.847 415 Q CB -0.115 28.628 28.738 0.009 0.000 0.915 415 Q HN 0.587 nan 8.270 nan 0.000 0.448 416 Q N 0.007 119.810 119.800 0.006 0.000 2.369 416 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 416 Q C 1.932 177.931 176.000 -0.002 0.000 0.963 416 Q CA 0.398 56.197 55.803 -0.007 0.000 0.894 416 Q CB 0.111 28.837 28.738 -0.019 0.000 0.965 416 Q HN 0.478 nan 8.270 nan 0.000 0.475 417 L N 0.234 121.470 121.223 0.023 0.000 2.093 417 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 417 L C 2.024 178.956 176.870 0.103 0.000 1.085 417 L CA 0.847 55.717 54.840 0.050 0.000 0.755 417 L CB -0.065 42.034 42.059 0.066 0.000 0.904 417 L HN 0.296 nan 8.230 nan 0.000 0.435 418 L N -1.698 119.604 121.223 0.131 0.000 2.109 418 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 418 L C 2.565 179.473 176.870 0.063 0.000 1.086 418 L CA 0.768 55.739 54.840 0.218 0.000 0.760 418 L CB -0.527 41.632 42.059 0.167 0.000 0.910 418 L HN 0.119 nan 8.230 nan 0.000 0.437 419 S N -0.559 115.145 115.700 0.006 0.000 2.368 419 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 419 S C 2.156 176.697 174.600 -0.098 0.000 1.029 419 S CA 0.884 59.059 58.200 -0.041 0.000 0.988 419 S CB -0.132 63.047 63.200 -0.036 0.000 0.838 419 S HN 0.290 nan 8.310 nan 0.000 0.462 420 R N 0.763 121.200 120.500 -0.106 0.000 2.066 420 R HA 0.000 4.340 4.340 -0.000 0.000 0.232 420 R C 2.599 178.750 176.300 -0.249 0.000 1.131 420 R CA 1.297 57.310 56.100 -0.145 0.000 0.955 420 R CB -1.253 28.981 30.300 -0.109 0.000 0.851 420 R HN 0.490 nan 8.270 nan 0.000 0.432 421 G N 0.770 109.338 108.800 -0.387 0.000 2.442 421 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 421 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 421 G C 1.518 175.833 174.900 -0.975 0.000 1.141 421 G CA 1.372 45.913 45.100 -0.932 0.000 0.763 421 G HN 0.331 nan 8.290 nan 0.000 0.554 422 V N -1.262 118.291 119.914 -0.603 0.000 2.379 422 V HA -0.010 4.110 4.120 -0.000 0.000 0.245 422 V C 2.697 178.677 176.094 -0.190 0.000 1.044 422 V CA 1.493 63.618 62.300 -0.293 0.000 1.036 422 V CB -0.553 31.211 31.823 -0.099 0.000 0.664 422 V HN 0.175 nan 8.190 nan 0.000 0.453 423 R N 0.776 121.169 120.500 -0.178 0.000 2.073 423 R HA 0.063 4.403 4.340 -0.000 0.000 0.234 423 R C 2.398 178.624 176.300 -0.123 0.000 1.134 423 R CA 1.729 57.751 56.100 -0.131 0.000 0.952 423 R CB -1.023 29.199 30.300 -0.130 0.000 0.850 423 R HN 0.506 nan 8.270 nan 0.000 0.433 424 L N 0.310 121.439 121.223 -0.156 0.000 2.093 424 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 424 L C 2.464 179.279 176.870 -0.093 0.000 1.085 424 L CA 1.392 56.161 54.840 -0.118 0.000 0.755 424 L CB -0.792 41.190 42.059 -0.130 0.000 0.904 424 L HN 0.173 nan 8.230 nan 0.000 0.435 425 T N -0.760 113.716 114.554 -0.129 0.000 2.684 425 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 425 T C 1.798 176.480 174.700 -0.030 0.000 1.036 425 T CA 1.278 63.340 62.100 -0.064 0.000 1.148 425 T CB -0.129 68.704 68.868 -0.058 0.000 0.863 425 T HN 0.293 nan 8.240 nan 0.000 0.436 426 E N 0.906 121.083 120.200 -0.040 0.000 2.153 426 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 426 E C 2.162 178.760 176.600 -0.003 0.000 0.988 426 E CA 0.400 56.790 56.400 -0.017 0.000 0.811 426 E CB -0.385 29.302 29.700 -0.022 0.000 0.746 426 E HN 0.313 nan 8.360 nan 0.000 0.466 427 L N 0.490 121.706 121.223 -0.010 0.000 2.217 427 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 427 L C 1.877 178.760 176.870 0.022 0.000 1.107 427 L CA 0.958 55.806 54.840 0.013 0.000 0.783 427 L CB -0.275 41.784 42.059 -0.001 0.000 0.919 427 L HN 0.133 nan 8.230 nan 0.000 0.442 428 L N -0.544 120.685 121.223 0.010 0.000 2.592 428 L HA 0.030 4.370 4.340 -0.000 0.000 0.227 428 L C 0.903 177.783 176.870 0.017 0.000 1.127 428 L CA -0.043 54.807 54.840 0.017 0.000 0.884 428 L CB -0.078 41.990 42.059 0.016 0.000 1.065 428 L HN 0.057 nan 8.230 nan 0.000 0.457 429 K N 1.147 121.555 120.400 0.013 0.000 2.355 429 K HA 0.211 4.531 4.320 -0.000 0.000 0.270 429 K C -0.115 176.490 176.600 0.008 0.000 1.003 429 K CA 0.330 56.621 56.287 0.007 0.000 0.957 429 K CB 0.561 33.062 32.500 0.001 0.000 0.939 429 K HN -0.036 nan 8.250 nan 0.000 0.482 430 Q N 0.374 120.173 119.800 -0.002 0.000 2.378 430 Q HA 0.260 4.600 4.340 -0.000 0.000 0.262 430 Q C -0.933 175.054 176.000 -0.022 0.000 0.978 430 Q CA -0.541 55.259 55.803 -0.005 0.000 0.918 430 Q CB 1.675 30.412 28.738 -0.002 0.000 1.415 430 Q HN 0.813 nan 8.270 nan 0.000 0.409 431 G N 1.974 110.762 108.800 -0.020 0.000 2.594 431 G HA2 0.108 4.068 3.960 -0.000 0.000 0.243 431 G HA3 0.108 4.068 3.960 -0.000 0.000 0.243 431 G C -0.430 174.429 174.900 -0.068 0.000 1.229 431 G CA -0.166 44.914 45.100 -0.033 0.000 0.843 431 G HN 0.656 nan 8.290 nan 0.000 0.578 432 Q N -0.694 119.027 119.800 -0.132 0.000 2.421 432 Q HA 0.146 4.486 4.340 -0.000 0.000 0.255 432 Q C -0.286 175.569 176.000 -0.242 0.000 1.013 432 Q CA -0.152 55.448 55.803 -0.338 0.000 0.895 432 Q CB 0.118 28.516 28.738 -0.567 0.000 1.271 432 Q HN 0.613 nan 8.270 nan 0.000 0.460 433 Y N 0.006 120.306 120.300 -0.001 0.000 3.225 433 Y HA -0.264 4.286 4.550 -0.000 0.000 0.211 433 Y C -0.235 175.658 175.900 -0.011 0.000 1.223 433 Y CA 0.359 58.454 58.100 -0.009 0.000 1.284 433 Y CB -2.087 36.365 38.460 -0.013 0.000 1.367 433 Y HN 0.313 nan 8.280 nan 0.000 0.566 434 S N -0.403 115.337 115.700 0.067 0.000 2.139 434 S HA 0.316 4.786 4.470 -0.000 0.000 0.183 434 S C -2.296 172.315 174.600 0.018 0.000 1.473 434 S CA -1.047 57.177 58.200 0.040 0.000 1.263 434 S CB 0.631 63.843 63.200 0.021 0.000 1.170 434 S HN 0.056 nan 8.310 nan 0.000 0.430 435 P HA 0.215 nan 4.420 nan 0.000 0.266 435 P C -0.581 176.710 177.300 -0.014 0.000 1.195 435 P CA 0.227 63.326 63.100 -0.001 0.000 0.768 435 P CB 0.368 32.059 31.700 -0.016 0.000 0.838 436 M N 1.861 121.455 119.600 -0.011 0.000 2.326 436 M HA 0.530 5.010 4.480 -0.000 0.000 0.306 436 M C -0.073 176.221 176.300 -0.010 0.000 1.054 436 M CA -0.788 54.503 55.300 -0.014 0.000 0.922 436 M CB 2.304 34.903 32.600 -0.003 0.000 1.632 436 M HN 0.269 nan 8.290 nan 0.000 0.436 437 A N 1.835 124.642 122.820 -0.022 0.000 2.386 437 A HA 0.254 4.574 4.320 -0.000 0.000 0.248 437 A C 0.995 178.589 177.584 0.016 0.000 1.082 437 A CA -0.313 51.722 52.037 -0.003 0.000 0.789 437 A CB 0.128 19.114 19.000 -0.022 0.000 1.025 437 A HN 0.988 nan 8.150 nan 0.000 0.490 438 I N 0.671 121.267 120.570 0.042 0.000 2.248 438 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 438 I C 2.519 178.647 176.117 0.018 0.000 1.107 438 I CA 2.420 63.741 61.300 0.034 0.000 1.373 438 I CB -0.177 37.847 38.000 0.039 0.000 1.055 438 I HN 0.854 nan 8.210 nan 0.000 0.418 439 E N 0.259 120.463 120.200 0.007 0.000 2.152 439 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 439 E C 1.773 178.360 176.600 -0.022 0.000 0.983 439 E CA 1.455 57.849 56.400 -0.010 0.000 0.818 439 E CB -0.683 29.004 29.700 -0.021 0.000 0.758 439 E HN 0.637 nan 8.360 nan 0.000 0.467 440 E N 0.906 121.091 120.200 -0.026 0.000 2.152 440 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 440 E C 2.288 178.886 176.600 -0.004 0.000 0.983 440 E CA 0.879 57.255 56.400 -0.039 0.000 0.818 440 E CB -0.033 29.638 29.700 -0.049 0.000 0.758 440 E HN 0.375 nan 8.360 nan 0.000 0.467 441 Q N 0.367 120.175 119.800 0.014 0.000 2.046 441 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 441 Q C 2.620 178.657 176.000 0.061 0.000 0.975 441 Q CA 1.826 57.651 55.803 0.037 0.000 0.836 441 Q CB -0.162 28.596 28.738 0.033 0.000 0.896 441 Q HN 0.340 nan 8.270 nan 0.000 0.428 442 V N -1.767 118.180 119.914 0.055 0.000 2.515 442 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 442 V C 2.144 178.317 176.094 0.131 0.000 1.058 442 V CA 1.645 63.995 62.300 0.084 0.000 1.064 442 V CB -1.160 30.700 31.823 0.061 0.000 0.675 442 V HN 0.257 nan 8.190 nan 0.000 0.461 443 A N 0.287 123.160 122.820 0.089 0.000 1.930 443 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 443 A C 2.368 180.124 177.584 0.287 0.000 1.175 443 A CA 1.981 54.092 52.037 0.124 0.000 0.627 443 A CB -0.728 18.270 19.000 -0.003 0.000 0.815 443 A HN 0.423 nan 8.150 nan 0.000 0.443 444 V N 0.733 120.779 119.914 0.221 0.000 2.270 444 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 444 V C 2.441 178.660 176.094 0.208 0.000 1.043 444 V CA 1.715 64.169 62.300 0.256 0.000 1.014 444 V CB -0.599 31.324 31.823 0.167 0.000 0.645 444 V HN 0.516 nan 8.190 nan 0.000 0.447 445 I N -0.440 120.225 120.570 0.158 0.000 2.264 445 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 445 I C 2.390 178.592 176.117 0.141 0.000 1.111 445 I CA 2.071 63.442 61.300 0.119 0.000 1.382 445 I CB -1.310 36.745 38.000 0.092 0.000 1.060 445 I HN 0.428 nan 8.210 nan 0.000 0.418 446 Y N 2.180 122.531 120.300 0.084 0.000 2.097 446 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 446 Y C 2.716 178.691 175.900 0.125 0.000 1.152 446 Y CA 2.321 60.479 58.100 0.097 0.000 1.136 446 Y CB -0.356 38.167 38.460 0.105 0.000 0.975 446 Y HN 0.126 nan 8.280 nan 0.000 0.498 447 A N 0.170 123.170 122.820 0.299 0.000 1.903 447 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 447 A C 2.451 180.070 177.584 0.059 0.000 1.191 447 A CA 2.203 54.338 52.037 0.164 0.000 0.638 447 A CB -1.797 17.220 19.000 0.027 0.000 0.823 447 A HN 0.650 nan 8.150 nan 0.000 0.451 448 G N -1.446 107.359 108.800 0.008 0.000 2.394 448 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.214 448 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.214 448 G C 1.556 176.398 174.900 -0.096 0.000 1.176 448 G CA 1.003 46.070 45.100 -0.055 0.000 0.786 448 G HN 0.471 nan 8.290 nan 0.000 0.533 449 V N 0.530 120.387 119.914 -0.096 0.000 2.759 449 V HA 0.038 4.158 4.120 -0.000 0.000 0.256 449 V C 2.540 178.514 176.094 -0.200 0.000 1.080 449 V CA 1.186 63.411 62.300 -0.125 0.000 1.101 449 V CB -0.334 31.439 31.823 -0.083 0.000 0.698 449 V HN 0.192 nan 8.190 nan 0.000 0.477 450 R N -0.069 120.257 120.500 -0.289 0.000 2.280 450 R HA 0.251 4.591 4.340 -0.000 0.000 0.195 450 R C 1.556 177.582 176.300 -0.456 0.000 0.935 450 R CA 0.796 56.659 56.100 -0.395 0.000 1.033 450 R CB -0.024 29.947 30.300 -0.548 0.000 0.964 450 R HN 0.602 nan 8.270 nan 0.000 0.489 451 G N 0.358 108.947 108.800 -0.352 0.000 2.131 451 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.201 451 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.201 451 G C 0.417 175.098 174.900 -0.365 0.000 1.000 451 G CA -0.036 44.868 45.100 -0.327 0.000 0.680 451 G HN 0.356 nan 8.290 nan 0.000 0.514 452 Y N -0.035 120.153 120.300 -0.185 0.000 2.337 452 Y HA 0.243 4.793 4.550 -0.000 0.000 0.293 452 Y C 2.677 178.424 175.900 -0.254 0.000 1.123 452 Y CA 1.461 59.445 58.100 -0.193 0.000 1.201 452 Y CB 0.056 38.401 38.460 -0.191 0.000 1.011 452 Y HN 0.354 nan 8.280 nan 0.000 0.545 453 L N -0.481 120.648 121.223 -0.156 0.000 2.591 453 L HA 0.008 4.348 4.340 -0.000 0.000 0.228 453 L C 0.913 177.682 176.870 -0.169 0.000 1.133 453 L CA 0.103 54.796 54.840 -0.245 0.000 0.880 453 L CB -0.209 41.675 42.059 -0.292 0.000 1.033 453 L HN 0.088 nan 8.230 nan 0.000 0.450 454 D N 1.506 121.818 120.400 -0.146 0.000 2.178 454 D HA -0.176 4.464 4.640 -0.000 0.000 0.201 454 D C 2.099 178.340 176.300 -0.099 0.000 0.980 454 D CA 1.144 55.070 54.000 -0.123 0.000 0.842 454 D CB 0.106 40.828 40.800 -0.130 0.000 0.948 454 D HN 0.468 nan 8.370 nan 0.000 0.472 455 K N -0.325 120.018 120.400 -0.095 0.000 2.305 455 K HA 0.005 4.325 4.320 -0.000 0.000 0.199 455 K C 0.870 177.429 176.600 -0.068 0.000 1.047 455 K CA -0.118 56.127 56.287 -0.070 0.000 0.976 455 K CB 0.124 32.592 32.500 -0.054 0.000 0.765 455 K HN 0.019 nan 8.250 nan 0.000 0.474 456 L N 2.598 123.763 121.223 -0.097 0.000 2.466 456 L HA 0.105 4.445 4.340 -0.000 0.000 0.257 456 L C -0.284 176.545 176.870 -0.069 0.000 1.189 456 L CA 0.159 54.942 54.840 -0.094 0.000 0.813 456 L CB 0.921 42.882 42.059 -0.164 0.000 1.118 456 L HN 0.121 nan 8.230 nan 0.000 0.471 457 E N 2.949 123.121 120.200 -0.046 0.000 2.249 457 E HA 0.182 4.532 4.350 -0.000 0.000 0.280 457 E C -1.742 174.839 176.600 -0.031 0.000 1.016 457 E CA -1.423 54.959 56.400 -0.030 0.000 0.830 457 E CB 0.977 30.670 29.700 -0.012 0.000 1.081 457 E HN 0.435 nan 8.360 nan 0.000 0.395 458 P HA -0.248 nan 4.420 nan 0.000 0.216 458 P C 1.458 178.751 177.300 -0.011 0.000 1.150 458 P CA 1.176 64.260 63.100 -0.028 0.000 0.843 458 P CB 0.208 31.896 31.700 -0.021 0.000 0.787 459 S N -0.782 114.917 115.700 -0.001 0.000 2.383 459 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 459 S C 1.723 176.334 174.600 0.020 0.000 1.030 459 S CA 1.262 59.469 58.200 0.010 0.000 1.002 459 S CB -0.672 62.536 63.200 0.014 0.000 0.829 459 S HN 0.039 nan 8.310 nan 0.000 0.467 460 K N 0.799 121.211 120.400 0.019 0.000 2.418 460 K HA 0.132 4.452 4.320 -0.000 0.000 0.195 460 K C 1.858 178.496 176.600 0.064 0.000 1.035 460 K CA 0.132 56.443 56.287 0.041 0.000 1.003 460 K CB -0.238 32.285 32.500 0.040 0.000 0.793 460 K HN 0.423 nan 8.250 nan 0.000 0.494 461 I N 1.410 121.999 120.570 0.032 0.000 2.163 461 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 461 I C 2.031 178.212 176.117 0.107 0.000 1.085 461 I CA 1.548 62.874 61.300 0.044 0.000 1.347 461 I CB -1.527 36.469 38.000 -0.006 0.000 1.044 461 I HN 0.118 nan 8.210 nan 0.000 0.408 462 T N 0.703 115.299 114.554 0.070 0.000 2.684 462 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 462 T C 2.026 176.775 174.700 0.081 0.000 1.036 462 T CA 1.732 63.872 62.100 0.066 0.000 1.148 462 T CB -0.180 68.711 68.868 0.038 0.000 0.863 462 T HN 0.288 nan 8.240 nan 0.000 0.436 463 K N -0.229 120.218 120.400 0.078 0.000 2.097 463 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 463 K C 2.070 178.708 176.600 0.063 0.000 1.049 463 K CA 1.079 57.398 56.287 0.053 0.000 0.933 463 K CB -0.297 32.225 32.500 0.037 0.000 0.717 463 K HN 0.299 nan 8.250 nan 0.000 0.442 464 F N 2.179 122.122 119.950 -0.010 0.000 2.069 464 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 464 F C 2.343 178.189 175.800 0.078 0.000 1.113 464 F CA 2.000 60.020 58.000 0.034 0.000 1.214 464 F CB -0.186 38.818 39.000 0.006 0.000 0.978 464 F HN 0.162 nan 8.300 nan 0.000 0.474 465 E N 0.042 120.388 120.200 0.243 0.000 2.058 465 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 465 E C 1.950 178.582 176.600 0.054 0.000 0.997 465 E CA 1.571 58.077 56.400 0.176 0.000 0.801 465 E CB -0.199 29.597 29.700 0.160 0.000 0.746 465 E HN 0.457 nan 8.360 nan 0.000 0.450 466 N N 0.540 119.258 118.700 0.030 0.000 2.120 466 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 466 N C 1.703 177.198 175.510 -0.024 0.000 1.024 466 N CA 1.379 54.431 53.050 0.002 0.000 0.852 466 N CB -0.458 38.037 38.487 0.014 0.000 1.003 466 N HN 0.214 nan 8.380 nan 0.000 0.424 467 A N 0.562 123.357 122.820 -0.041 0.000 1.929 467 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 467 A C 2.051 179.599 177.584 -0.060 0.000 1.176 467 A CA 0.635 52.671 52.037 -0.002 0.000 0.628 467 A CB -0.750 18.220 19.000 -0.050 0.000 0.816 467 A HN 0.234 nan 8.150 nan 0.000 0.444 468 F N 0.246 119.870 119.950 -0.544 0.000 2.113 468 F HA -0.090 4.437 4.527 0.000 0.000 0.297 468 F C 1.829 177.346 175.800 -0.472 0.000 1.103 468 F CA 1.530 58.911 58.000 -1.032 0.000 1.248 468 F CB -0.436 37.836 39.000 -1.214 0.000 0.999 468 F HN 0.194 nan 8.300 nan 0.000 0.475 469 L N 0.395 121.411 121.223 -0.346 0.000 2.017 469 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 469 L C 2.704 179.422 176.870 -0.252 0.000 1.073 469 L CA 2.315 56.967 54.840 -0.314 0.000 0.745 469 L CB -1.109 40.876 42.059 -0.124 0.000 0.894 469 L HN 0.325 nan 8.230 nan 0.000 0.432 470 S N -2.169 113.444 115.700 -0.146 0.000 2.447 470 S HA -0.249 4.221 4.470 -0.000 0.000 0.233 470 S C 2.139 176.702 174.600 -0.062 0.000 1.006 470 S CA 1.040 59.192 58.200 -0.080 0.000 0.957 470 S CB -0.946 62.242 63.200 -0.019 0.000 0.773 470 S HN 0.733 nan 8.310 nan 0.000 0.507 471 H N 1.587 120.546 119.070 -0.186 0.000 2.343 471 H HA 0.003 4.559 4.556 -0.000 0.000 0.303 471 H C 2.268 177.500 175.328 -0.159 0.000 1.068 471 H CA 1.884 57.859 56.048 -0.123 0.000 1.359 471 H CB -0.072 29.663 29.762 -0.047 0.000 1.402 471 H HN 0.429 nan 8.280 nan 0.000 0.515 472 V N -0.666 118.981 119.914 -0.444 0.000 2.759 472 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 472 V C 2.430 178.365 176.094 -0.266 0.000 1.080 472 V CA 1.507 63.570 62.300 -0.395 0.000 1.101 472 V CB -0.920 30.561 31.823 -0.568 0.000 0.698 472 V HN 0.299 nan 8.190 nan 0.000 0.477 473 I N 0.323 120.749 120.570 -0.241 0.000 2.617 473 I HA -0.125 4.045 4.170 -0.000 0.000 0.256 473 I C 2.691 178.713 176.117 -0.159 0.000 1.167 473 I CA 1.447 62.646 61.300 -0.168 0.000 1.469 473 I CB 0.090 38.011 38.000 -0.132 0.000 1.098 473 I HN 0.446 nan 8.210 nan 0.000 0.436 474 S N -0.409 115.178 115.700 -0.188 0.000 2.362 474 S HA -0.098 4.372 4.470 -0.000 0.000 0.221 474 S C 1.846 176.316 174.600 -0.216 0.000 1.032 474 S CA 1.090 59.192 58.200 -0.163 0.000 0.973 474 S CB 0.112 63.242 63.200 -0.116 0.000 0.849 474 S HN 0.406 nan 8.310 nan 0.000 0.465 475 Q N -0.837 118.750 119.800 -0.355 0.000 2.369 475 Q HA 0.176 4.516 4.340 -0.000 0.000 0.254 475 Q C -0.008 175.668 176.000 -0.540 0.000 0.858 475 Q CA 0.313 55.843 55.803 -0.455 0.000 0.961 475 Q CB 0.298 28.692 28.738 -0.572 0.000 1.119 475 Q HN 0.667 nan 8.270 nan 0.000 0.538 476 H N 0.714 119.637 119.070 -0.246 0.000 2.579 476 H HA 0.194 4.750 4.556 -0.000 0.000 0.289 476 H C 1.150 176.379 175.328 -0.166 0.000 1.270 476 H CA -0.129 55.801 56.048 -0.197 0.000 1.060 476 H CB 0.547 30.172 29.762 -0.228 0.000 1.554 476 H HN -0.010 nan 8.280 nan 0.000 0.515 477 Q N 0.435 120.182 119.800 -0.088 0.000 2.291 477 Q HA -0.053 4.287 4.340 -0.000 0.000 0.205 477 Q C 2.253 178.223 176.000 -0.050 0.000 0.970 477 Q CA 0.906 56.665 55.803 -0.074 0.000 0.876 477 Q CB 0.124 28.812 28.738 -0.082 0.000 0.935 477 Q HN 0.658 nan 8.270 nan 0.000 0.455 478 A N 0.953 123.750 122.820 -0.038 0.000 1.877 478 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 478 A C 2.113 179.685 177.584 -0.019 0.000 1.186 478 A CA 0.868 52.891 52.037 -0.024 0.000 0.620 478 A CB -0.691 18.301 19.000 -0.014 0.000 0.822 478 A HN 0.341 nan 8.150 nan 0.000 0.443 479 L N -0.510 120.708 121.223 -0.008 0.000 1.994 479 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 479 L C 2.543 179.381 176.870 -0.053 0.000 1.071 479 L CA 1.595 56.413 54.840 -0.036 0.000 0.745 479 L CB -0.382 41.642 42.059 -0.059 0.000 0.892 479 L HN 0.430 nan 8.230 nan 0.000 0.431 480 L N -0.383 120.806 121.223 -0.058 0.000 2.083 480 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 480 L C 3.022 179.866 176.870 -0.044 0.000 1.083 480 L CA 1.325 56.129 54.840 -0.061 0.000 0.752 480 L CB -0.919 41.097 42.059 -0.072 0.000 0.899 480 L HN 0.394 nan 8.230 nan 0.000 0.433 481 S N 0.351 116.028 115.700 -0.039 0.000 2.368 481 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 481 S C 2.156 176.741 174.600 -0.025 0.000 1.030 481 S CA 1.551 59.733 58.200 -0.030 0.000 0.999 481 S CB -0.260 nan 63.200 nan 0.000 0.844 481 S HN 0.292 nan 8.310 nan 0.000 0.459 482 K N 0.228 120.611 120.400 -0.027 0.000 2.057 482 K HA 0.029 4.348 4.320 -0.000 0.000 0.207 482 K C 1.853 178.438 176.600 -0.025 0.000 1.049 482 K CA 1.433 57.705 56.287 -0.025 0.000 0.931 482 K CB -0.344 32.140 32.500 -0.027 0.000 0.714 482 K HN 0.545 nan 8.250 nan 0.000 0.440 483 I N 0.388 120.939 120.570 -0.032 0.000 2.353 483 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 483 I C 2.635 178.741 176.117 -0.018 0.000 1.119 483 I CA 0.825 62.108 61.300 -0.029 0.000 1.417 483 I CB -0.217 37.759 38.000 -0.040 0.000 1.078 483 I HN 0.139 nan 8.210 nan 0.000 0.421 484 R N 0.925 121.416 120.500 -0.016 0.000 2.061 484 R HA -0.134 4.206 4.340 -0.000 0.000 0.230 484 R C 2.305 178.602 176.300 -0.006 0.000 1.140 484 R CA 2.242 58.338 56.100 -0.007 0.000 0.940 484 R CB -0.458 29.839 30.300 -0.004 0.000 0.839 484 R HN 0.232 nan 8.270 nan 0.000 0.429 485 T N 1.361 115.910 114.554 -0.009 0.000 2.708 485 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 485 T C 1.225 175.920 174.700 -0.010 0.000 1.037 485 T CA 1.571 63.666 62.100 -0.009 0.000 1.146 485 T CB -0.331 68.531 68.868 -0.010 0.000 0.865 485 T HN 0.317 nan 8.240 nan 0.000 0.435 486 D N 0.598 120.991 120.400 -0.011 0.000 2.312 486 D HA 0.071 4.711 4.640 -0.000 0.000 0.211 486 D C 1.741 178.036 176.300 -0.009 0.000 0.964 486 D CA 0.894 54.888 54.000 -0.009 0.000 0.877 486 D CB -0.548 40.246 40.800 -0.010 0.000 0.924 486 D HN 0.528 nan 8.370 nan 0.000 0.515 487 G N 1.494 110.289 108.800 -0.009 0.000 2.258 487 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.274 487 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.274 487 G C 0.331 175.229 174.900 -0.004 0.000 1.021 487 G CA 1.079 46.174 45.100 -0.008 0.000 0.798 487 G HN 0.499 nan 8.290 nan 0.000 0.507 488 K N -0.936 119.462 120.400 -0.003 0.000 2.575 488 K HA 0.555 4.875 4.320 -0.000 0.000 0.279 488 K C -0.786 175.812 176.600 -0.003 0.000 0.969 488 K CA -1.274 55.014 56.287 0.002 0.000 0.868 488 K CB 1.013 33.515 32.500 0.003 0.000 1.457 488 K HN 0.076 nan 8.250 nan 0.000 0.426 489 I N 3.691 124.264 120.570 0.004 0.000 2.269 489 I HA 0.084 4.254 4.170 -0.000 0.000 0.293 489 I C 0.548 176.664 176.117 -0.000 0.000 1.106 489 I CA -0.382 60.913 61.300 -0.008 0.000 1.248 489 I CB 0.886 38.888 38.000 0.003 0.000 1.444 489 I HN 0.589 nan 8.210 nan 0.000 0.497 490 S N 3.729 119.424 115.700 -0.009 0.000 2.608 490 S HA 0.146 4.616 4.470 -0.000 0.000 0.261 490 S C 1.031 175.630 174.600 -0.000 0.000 1.314 490 S CA -0.432 57.767 58.200 -0.002 0.000 0.992 490 S CB 1.064 64.260 63.200 -0.006 0.000 0.935 490 S HN 0.639 nan 8.310 nan 0.000 0.564 491 E N 0.414 120.619 120.200 0.008 0.000 2.160 491 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 491 E C 1.867 178.471 176.600 0.006 0.000 0.991 491 E CA 1.419 57.828 56.400 0.014 0.000 0.810 491 E CB -0.125 29.586 29.700 0.017 0.000 0.742 491 E HN 0.866 nan 8.360 nan 0.000 0.466 492 E N 0.131 120.330 120.200 -0.002 0.000 2.208 492 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 492 E C 1.875 178.462 176.600 -0.023 0.000 0.988 492 E CA 0.642 57.038 56.400 -0.007 0.000 0.828 492 E CB 0.219 29.916 29.700 -0.005 0.000 0.763 492 E HN 0.003 nan 8.360 nan 0.000 0.478 493 S N 0.433 116.112 115.700 -0.035 0.000 2.377 493 S HA -0.120 4.350 4.470 -0.000 0.000 0.223 493 S C 1.451 175.987 174.600 -0.105 0.000 1.030 493 S CA 0.946 59.104 58.200 -0.069 0.000 0.970 493 S CB -0.154 63.004 63.200 -0.071 0.000 0.830 493 S HN 0.314 nan 8.310 nan 0.000 0.473 494 D N 1.800 122.159 120.400 -0.068 0.000 2.104 494 D HA -0.035 4.605 4.640 -0.000 0.000 0.194 494 D C 1.921 178.212 176.300 -0.014 0.000 0.994 494 D CA 1.372 55.341 54.000 -0.051 0.000 0.830 494 D CB -0.248 40.578 40.800 0.044 0.000 0.959 494 D HN 0.328 nan 8.370 nan 0.000 0.452 495 A N 0.044 122.867 122.820 0.006 0.000 1.968 495 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 495 A C 2.117 179.700 177.584 -0.001 0.000 1.169 495 A CA 1.376 53.428 52.037 0.026 0.000 0.638 495 A CB -0.399 18.618 19.000 0.028 0.000 0.812 495 A HN 0.201 nan 8.150 nan 0.000 0.446 496 K N -0.749 119.628 120.400 -0.038 0.000 2.001 496 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 496 K C 1.862 178.400 176.600 -0.102 0.000 1.048 496 K CA 1.375 57.627 56.287 -0.060 0.000 0.932 496 K CB -0.280 32.179 32.500 -0.068 0.000 0.715 496 K HN 0.298 nan 8.250 nan 0.000 0.437 497 L N 2.100 123.228 121.223 -0.159 0.000 2.046 497 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 497 L C 2.219 179.032 176.870 -0.094 0.000 1.077 497 L CA 1.818 56.532 54.840 -0.210 0.000 0.747 497 L CB -0.567 41.209 42.059 -0.473 0.000 0.896 497 L HN 0.157 nan 8.230 nan 0.000 0.432 498 K N -0.611 119.784 120.400 -0.007 0.000 2.103 498 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 498 K C 1.950 178.562 176.600 0.020 0.000 1.048 498 K CA 1.833 58.184 56.287 0.106 0.000 0.930 498 K CB -0.098 32.522 32.500 0.201 0.000 0.716 498 K HN 0.460 nan 8.250 nan 0.000 0.444 499 E N 0.105 120.314 120.200 0.016 0.000 2.208 499 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 499 E C 1.908 178.523 176.600 0.025 0.000 0.988 499 E CA 0.572 56.986 56.400 0.024 0.000 0.828 499 E CB 0.127 29.843 29.700 0.028 0.000 0.763 499 E HN 0.298 nan 8.360 nan 0.000 0.478 500 I N 0.865 121.431 120.570 -0.006 0.000 2.163 500 I HA -0.202 3.968 4.170 -0.000 0.000 0.240 500 I C 2.752 178.965 176.117 0.159 0.000 1.081 500 I CA 1.008 62.338 61.300 0.050 0.000 1.353 500 I CB -1.663 36.292 38.000 -0.074 0.000 1.054 500 I HN 0.070 nan 8.210 nan 0.000 0.407 501 V N -0.629 119.307 119.914 0.037 0.000 2.295 501 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 501 V C 2.425 178.459 176.094 -0.100 0.000 1.049 501 V CA 2.394 64.610 62.300 -0.140 0.000 1.024 501 V CB -1.935 29.572 31.823 -0.527 0.000 0.648 501 V HN 0.339 nan 8.190 nan 0.000 0.447 502 T N 1.142 115.610 114.554 -0.143 0.000 2.708 502 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 502 T C 1.785 176.528 174.700 0.071 0.000 1.037 502 T CA 2.467 64.558 62.100 -0.015 0.000 1.146 502 T CB -0.656 68.236 68.868 0.040 0.000 0.865 502 T HN 0.665 nan 8.240 nan 0.000 0.435 503 N N 0.028 118.785 118.700 0.095 0.000 2.270 503 N HA 0.097 4.837 4.740 -0.000 0.000 0.181 503 N C 1.446 177.034 175.510 0.129 0.000 1.016 503 N CA 0.470 53.584 53.050 0.106 0.000 0.870 503 N CB -0.193 38.359 38.487 0.109 0.000 0.979 503 N HN 0.284 nan 8.380 nan 0.000 0.431 504 F N 1.214 121.189 119.950 0.043 0.000 2.098 504 F HA -0.059 4.468 4.527 -0.000 0.000 0.294 504 F C 1.998 177.847 175.800 0.081 0.000 1.107 504 F CA 0.744 58.761 58.000 0.028 0.000 1.234 504 F CB -0.236 38.801 39.000 0.061 0.000 1.002 504 F HN -0.037 nan 8.300 nan 0.000 0.472 505 L N 0.733 122.164 121.223 0.347 0.000 2.054 505 L HA -0.175 4.165 4.340 -0.000 0.000 0.220 505 L C 1.137 178.078 176.870 0.118 0.000 1.081 505 L CA 1.961 56.987 54.840 0.310 0.000 0.780 505 L CB -2.057 40.097 42.059 0.159 0.000 0.893 505 L HN 0.207 nan 8.230 nan 0.000 0.438 506 A N -1.443 121.411 122.820 0.057 0.000 2.289 506 A HA 0.538 4.858 4.320 -0.000 0.000 0.298 506 A C 0.644 178.212 177.584 -0.025 0.000 1.208 506 A CA 0.373 52.423 52.037 0.023 0.000 0.845 506 A CB 0.512 19.529 19.000 0.028 0.000 1.125 506 A HN 0.738 nan 8.150 nan 0.000 0.517 507 G N 0.872 109.663 108.800 -0.014 0.000 2.614 507 G HA2 0.236 4.196 3.960 -0.000 0.000 0.223 507 G HA3 0.236 4.196 3.960 -0.000 0.000 0.223 507 G C -0.887 174.042 174.900 0.047 0.000 1.171 507 G CA -0.256 44.826 45.100 -0.029 0.000 0.938 507 G HN 0.957 nan 8.290 nan 0.000 0.561 508 F N -0.438 119.433 119.950 -0.131 0.000 2.779 508 F HA 0.676 5.203 4.527 -0.000 0.000 0.316 508 F C -0.466 175.299 175.800 -0.058 0.000 1.164 508 F CA -0.982 56.950 58.000 -0.112 0.000 0.924 508 F CB 1.651 40.575 39.000 -0.128 0.000 1.348 508 F HN 0.131 nan 8.300 nan 0.000 0.467 509 E N 1.759 121.883 120.200 -0.127 0.000 2.115 509 E HA 0.681 5.031 4.350 -0.000 0.000 0.282 509 E C -1.365 175.290 176.600 0.092 0.000 0.987 509 E CA -0.313 56.052 56.400 -0.059 0.000 0.797 509 E CB 1.045 30.637 29.700 -0.180 0.000 1.086 509 E HN 0.734 nan 8.360 nan 0.000 0.397 510 A N 0.000 122.863 122.820 0.071 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.083 52.037 0.076 0.000 0.836 510 A CB 0.000 19.051 19.000 0.085 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486