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 1jkm_1_B DATA FIRST_RESID 10 DATA SEQUENCE YTPPGRLGDE SSGPRTDPRF SPAMVEALAT FGLDAVAAAP PVSASDDLPT DATA SEQUENCE VLAAVGASHD GFQAVYDSIA LDLPTDRDDV ETSTETILGV DGNEITLHVF DATA SEQUENCE RPAGVEGVLP GLVYTHGGGM TILTTDNRVH RRWCTDLAAA GSVVVMVDFR DATA SEQUENCE NAWTAEGHHP FPSGVEDCLA AVLWVDEHRE SLGLSGVVVQ GESGGGNLAI DATA SEQUENCE ATTLLAKRRG RLDAIDGVYA SIPYISGGYA WDHERRLTEL PSLVENDGYF DATA SEQUENCE IENGGMALLV RAYDPTGEHA EDPIAWPYFA SEDELRGLPP FVVAVNELDP DATA SEQUENCE LRDEGIAFAR RLARAGVDVA ARVNIGLVHG ADVIFRHWLP AALESTVRDV DATA SEQUENCE AGFAADRARL R 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.912 175.900 0.019 0.000 1.272 10 Y CA 0.000 58.110 58.100 0.016 0.000 1.940 10 Y CB 0.000 38.469 38.460 0.015 0.000 1.050 11 T N 8.816 122.943 114.554 -0.711 0.000 2.770 11 T HA 0.507 4.858 4.350 0.001 0.000 0.283 11 T C -2.743 171.436 174.700 -0.868 0.000 0.988 11 T CA -1.302 60.452 62.100 -0.577 0.000 0.957 11 T CB 1.431 70.136 68.868 -0.270 0.000 0.930 11 T HN 0.388 nan 8.240 nan 0.000 0.443 12 P HA 0.424 nan 4.420 nan 0.000 0.276 12 P C -2.738 174.484 177.300 -0.129 0.000 1.244 12 P CA -1.752 61.174 63.100 -0.290 0.000 0.801 12 P CB 0.251 31.920 31.700 -0.052 0.000 1.006 13 P HA 0.215 nan 4.420 nan 0.000 0.281 13 P C 0.610 177.940 177.300 0.050 0.000 1.281 13 P CA 0.358 63.469 63.100 0.018 0.000 0.811 13 P CB 0.302 32.036 31.700 0.056 0.000 1.154 14 G N 1.275 110.140 108.800 0.107 0.000 2.582 14 G HA2 -0.334 3.626 3.960 0.001 0.000 0.288 14 G HA3 -0.334 3.626 3.960 0.001 0.000 0.288 14 G C 0.793 175.749 174.900 0.094 0.000 1.247 14 G CA 0.341 45.539 45.100 0.163 0.000 0.972 14 G HN 0.599 nan 8.290 nan 0.000 0.557 15 R N 0.114 120.642 120.500 0.046 0.000 2.313 15 R HA 0.282 4.622 4.340 0.001 0.000 0.199 15 R C 2.514 178.830 176.300 0.027 0.000 0.958 15 R CA 0.484 56.602 56.100 0.030 0.000 1.047 15 R CB -0.224 30.066 30.300 -0.016 0.000 0.955 15 R HN 0.459 nan 8.270 nan 0.000 0.481 16 L N -1.035 120.200 121.223 0.020 0.000 2.109 16 L HA -0.021 4.319 4.340 0.001 0.000 0.207 16 L C 2.274 179.154 176.870 0.017 0.000 1.086 16 L CA 1.404 56.260 54.840 0.026 0.000 0.760 16 L CB -0.330 41.743 42.059 0.023 0.000 0.910 16 L HN 0.294 nan 8.230 nan 0.000 0.437 17 G N -1.551 107.250 108.800 0.002 0.000 2.719 17 G HA2 -0.054 3.907 3.960 0.001 0.000 0.211 17 G HA3 -0.054 3.907 3.960 0.001 0.000 0.211 17 G C -0.361 174.536 174.900 -0.005 0.000 1.140 17 G CA 0.197 45.283 45.100 -0.024 0.000 0.790 17 G HN 0.343 nan 8.290 nan 0.000 0.529 18 D N -1.378 119.032 120.400 0.016 0.000 2.804 18 D HA 0.139 4.779 4.640 0.001 0.000 0.209 18 D C 0.180 176.501 176.300 0.036 0.000 1.314 18 D CA -0.559 53.454 54.000 0.021 0.000 0.894 18 D CB 1.275 42.087 40.800 0.020 0.000 1.615 18 D HN -0.038 nan 8.370 nan 0.000 0.571 19 E N 1.147 121.365 120.200 0.029 0.000 2.435 19 E HA -0.019 4.331 4.350 0.001 0.000 0.195 19 E C 0.964 177.586 176.600 0.037 0.000 1.029 19 E CA 0.554 56.974 56.400 0.033 0.000 0.865 19 E CB 0.379 30.092 29.700 0.021 0.000 0.833 19 E HN 0.443 nan 8.360 nan 0.000 0.510 20 S N -0.842 114.879 115.700 0.035 0.000 2.540 20 S HA 0.113 4.584 4.470 0.001 0.000 0.218 20 S C 0.789 175.418 174.600 0.049 0.000 0.977 20 S CA -0.476 57.744 58.200 0.033 0.000 0.918 20 S CB 0.547 63.757 63.200 0.015 0.000 0.806 20 S HN -0.077 nan 8.310 nan 0.000 0.496 21 S N 1.309 117.053 115.700 0.075 0.000 2.715 21 S HA 0.437 4.908 4.470 0.001 0.000 0.318 21 S C 0.530 175.228 174.600 0.162 0.000 1.242 21 S CA 0.653 58.924 58.200 0.117 0.000 1.044 21 S CB -0.307 63.007 63.200 0.190 0.000 0.760 21 S HN 0.850 nan 8.310 nan 0.000 0.501 22 G N 4.427 113.238 108.800 0.019 0.000 2.866 22 G HA2 0.542 4.502 3.960 0.001 0.000 0.289 22 G HA3 0.542 4.502 3.960 0.001 0.000 0.289 22 G C -2.599 171.951 174.900 -0.583 0.000 1.396 22 G CA -0.987 44.035 45.100 -0.130 0.000 0.848 22 G HN 0.386 nan 8.290 nan 0.000 0.515 23 P HA -0.060 nan 4.420 nan 0.000 0.218 23 P C 1.755 178.468 177.300 -0.979 0.000 1.148 23 P CA 0.952 63.037 63.100 -1.693 0.000 0.822 23 P CB 0.240 31.264 31.700 -1.127 0.000 0.784 24 R N -1.346 118.847 120.500 -0.513 0.000 2.240 24 R HA 0.069 4.410 4.340 0.001 0.000 0.203 24 R C 1.453 177.627 176.300 -0.211 0.000 1.011 24 R CA 1.674 57.594 56.100 -0.300 0.000 1.007 24 R CB -0.456 29.723 30.300 -0.201 0.000 0.911 24 R HN 0.343 nan 8.270 nan 0.000 0.468 25 T N -3.432 110.998 114.554 -0.206 0.000 2.975 25 T HA 0.048 4.399 4.350 0.001 0.000 0.261 25 T C 0.280 174.947 174.700 -0.054 0.000 0.984 25 T CA -0.446 61.593 62.100 -0.101 0.000 0.911 25 T CB 0.390 69.219 68.868 -0.064 0.000 1.127 25 T HN -0.158 nan 8.240 nan 0.000 0.514 26 D N 3.460 123.815 120.400 -0.075 0.000 2.317 26 D HA 0.236 4.876 4.640 0.001 0.000 0.252 26 D C -1.556 174.835 176.300 0.152 0.000 1.174 26 D CA -2.215 51.841 54.000 0.093 0.000 0.866 26 D CB 2.090 43.023 40.800 0.222 0.000 1.127 26 D HN 0.053 nan 8.370 nan 0.000 0.467 27 P HA 0.054 nan 4.420 nan 0.000 0.241 27 P C 0.893 178.255 177.300 0.104 0.000 1.191 27 P CA 0.208 63.362 63.100 0.090 0.000 0.771 27 P CB 0.434 32.166 31.700 0.052 0.000 0.929 28 R N -0.942 119.636 120.500 0.130 0.000 2.189 28 R HA 0.013 4.353 4.340 0.001 0.000 0.223 28 R C 0.519 176.818 176.300 -0.003 0.000 1.092 28 R CA 0.483 56.614 56.100 0.050 0.000 0.989 28 R CB -0.533 29.775 30.300 0.014 0.000 0.876 28 R HN 0.184 nan 8.270 nan 0.000 0.457 29 F N 1.561 121.476 119.950 -0.057 0.000 2.467 29 F HA 0.022 4.549 4.527 0.001 0.000 0.362 29 F C 1.202 176.962 175.800 -0.067 0.000 1.090 29 F CA -0.487 57.462 58.000 -0.087 0.000 1.202 29 F CB 0.666 39.578 39.000 -0.147 0.000 1.113 29 F HN -0.050 nan 8.300 nan 0.000 0.541 30 S N 3.894 119.634 115.700 0.066 0.000 2.603 30 S HA 0.306 4.777 4.470 0.001 0.000 0.268 30 S C -1.907 172.721 174.600 0.047 0.000 1.317 30 S CA -1.125 57.100 58.200 0.042 0.000 1.012 30 S CB 1.395 64.602 63.200 0.012 0.000 0.926 30 S HN 0.364 nan 8.310 nan 0.000 0.539 31 P HA -0.095 nan 4.420 nan 0.000 0.215 31 P C 1.631 178.936 177.300 0.009 0.000 1.157 31 P CA 2.072 65.180 63.100 0.013 0.000 0.874 31 P CB -0.254 31.455 31.700 0.016 0.000 0.790 32 A N -1.185 121.655 122.820 0.032 0.000 1.933 32 A HA -0.218 4.103 4.320 0.001 0.000 0.218 32 A C 2.240 179.808 177.584 -0.026 0.000 1.175 32 A CA 2.138 54.212 52.037 0.060 0.000 0.628 32 A CB -1.415 17.650 19.000 0.108 0.000 0.814 32 A HN 0.126 nan 8.150 nan 0.000 0.444 33 M N -0.241 119.338 119.600 -0.035 0.000 2.132 33 M HA -0.073 4.408 4.480 0.001 0.000 0.263 33 M C 1.869 178.064 176.300 -0.174 0.000 1.065 33 M CA 1.721 56.955 55.300 -0.111 0.000 1.122 33 M CB -0.483 32.090 32.600 -0.045 0.000 1.365 33 M HN 0.110 nan 8.290 nan 0.000 0.411 34 V N 0.180 120.046 119.914 -0.080 0.000 2.343 34 V HA -0.278 3.842 4.120 0.001 0.000 0.247 34 V C 2.341 178.288 176.094 -0.245 0.000 1.051 34 V CA 2.273 64.474 62.300 -0.165 0.000 1.036 34 V CB -1.000 30.744 31.823 -0.133 0.000 0.654 34 V HN 0.615 nan 8.190 nan 0.000 0.451 35 E N 0.213 120.284 120.200 -0.215 0.000 2.085 35 E HA -0.248 4.103 4.350 0.001 0.000 0.194 35 E C 2.255 178.519 176.600 -0.560 0.000 0.994 35 E CA 1.428 57.683 56.400 -0.242 0.000 0.801 35 E CB -0.238 29.427 29.700 -0.058 0.000 0.743 35 E HN 0.570 nan 8.360 nan 0.000 0.453 36 A N 1.075 123.348 122.820 -0.912 0.000 1.865 36 A HA -0.191 4.130 4.320 0.001 0.000 0.217 36 A C 2.229 179.228 177.584 -0.975 0.000 1.191 36 A CA 1.414 52.535 52.037 -1.527 0.000 0.623 36 A CB -0.812 17.457 19.000 -1.218 0.000 0.826 36 A HN 0.322 nan 8.150 nan 0.000 0.444 37 L N -0.820 119.921 121.223 -0.803 0.000 2.046 37 L HA -0.204 4.136 4.340 0.001 0.000 0.208 37 L C 3.052 179.774 176.870 -0.248 0.000 1.077 37 L CA 1.070 55.589 54.840 -0.534 0.000 0.747 37 L CB -0.545 41.262 42.059 -0.421 0.000 0.896 37 L HN 0.451 nan 8.230 nan 0.000 0.432 38 A N -0.556 122.109 122.820 -0.258 0.000 2.076 38 A HA -0.196 4.125 4.320 0.001 0.000 0.220 38 A C 2.267 179.769 177.584 -0.138 0.000 1.160 38 A CA 2.056 53.995 52.037 -0.163 0.000 0.653 38 A CB -0.837 18.072 19.000 -0.152 0.000 0.801 38 A HN 0.434 nan 8.150 nan 0.000 0.455 39 T N -0.977 113.471 114.554 -0.177 0.000 2.737 39 T HA -0.143 4.208 4.350 0.001 0.000 0.269 39 T C 0.799 175.277 174.700 -0.369 0.000 1.040 39 T CA 1.616 63.582 62.100 -0.223 0.000 1.142 39 T CB -0.356 68.394 68.868 -0.196 0.000 0.861 39 T HN 0.511 nan 8.240 nan 0.000 0.456 40 F N -0.043 119.882 119.950 -0.043 0.000 2.698 40 F HA 0.459 4.986 4.527 0.001 0.000 0.304 40 F C 1.573 177.362 175.800 -0.018 0.000 1.108 40 F CA -0.435 57.563 58.000 -0.003 0.000 1.263 40 F CB 0.329 39.358 39.000 0.048 0.000 1.013 40 F HN 0.215 nan 8.300 nan 0.000 0.532 41 G N 0.961 109.796 108.800 0.058 0.000 2.160 41 G HA2 -0.314 3.647 3.960 0.001 0.000 0.251 41 G HA3 -0.314 3.647 3.960 0.001 0.000 0.251 41 G C 0.675 175.596 174.900 0.036 0.000 1.008 41 G CA 0.396 45.510 45.100 0.024 0.000 0.724 41 G HN 0.440 nan 8.290 nan 0.000 0.514 42 L N 0.748 122.003 121.223 0.053 0.000 2.653 42 L HA 0.216 4.557 4.340 0.001 0.000 0.231 42 L C 1.914 178.763 176.870 -0.034 0.000 1.153 42 L CA 0.538 55.418 54.840 0.065 0.000 0.933 42 L CB 0.120 42.277 42.059 0.163 0.000 1.175 42 L HN 0.348 nan 8.230 nan 0.000 0.473 43 D N -0.005 120.335 120.400 -0.100 0.000 2.355 43 D HA 0.004 4.644 4.640 0.001 0.000 0.218 43 D C 0.852 177.050 176.300 -0.170 0.000 1.004 43 D CA 0.171 54.061 54.000 -0.184 0.000 0.880 43 D CB 0.246 40.929 40.800 -0.195 0.000 0.911 43 D HN 0.184 nan 8.370 nan 0.000 0.528 44 A N 0.443 123.209 122.820 -0.091 0.000 2.269 44 A HA 0.506 4.827 4.320 0.001 0.000 0.319 44 A C 0.008 177.584 177.584 -0.013 0.000 1.110 44 A CA -0.705 51.294 52.037 -0.064 0.000 0.847 44 A CB 1.338 20.317 19.000 -0.035 0.000 1.161 44 A HN 0.015 nan 8.150 nan 0.000 0.497 45 V N 1.403 121.325 119.914 0.013 0.000 2.585 45 V HA 0.316 4.437 4.120 0.001 0.000 0.296 45 V C 1.106 177.240 176.094 0.066 0.000 1.035 45 V CA 0.309 62.657 62.300 0.080 0.000 1.084 45 V CB 0.446 32.325 31.823 0.092 0.000 0.953 45 V HN 1.052 nan 8.190 nan 0.000 0.483 46 A N 5.136 128.010 122.820 0.089 0.000 2.488 46 A HA 0.611 4.932 4.320 0.001 0.000 0.249 46 A C 0.607 178.212 177.584 0.034 0.000 1.083 46 A CA 0.215 52.288 52.037 0.059 0.000 0.768 46 A CB 0.162 19.204 19.000 0.069 0.000 1.017 46 A HN 1.321 nan 8.150 nan 0.000 0.496 47 A N 2.434 125.263 122.820 0.015 0.000 2.331 47 A HA 0.619 4.939 4.320 0.001 0.000 0.283 47 A C 0.830 178.414 177.584 0.001 0.000 1.142 47 A CA 0.091 52.132 52.037 0.007 0.000 0.812 47 A CB 0.023 19.023 19.000 0.001 0.000 1.074 47 A HN 2.215 nan 8.150 nan 0.000 0.497 48 A N 4.549 127.371 122.820 0.003 0.000 2.567 48 A HA 0.463 4.784 4.320 0.001 0.000 0.240 48 A C -1.331 176.251 177.584 -0.004 0.000 1.053 48 A CA -0.556 51.481 52.037 0.000 0.000 0.755 48 A CB -0.714 18.289 19.000 0.005 0.000 0.978 48 A HN 0.752 nan 8.150 nan 0.000 0.507 49 P HA 0.186 nan 4.420 nan 0.000 0.273 49 P C -1.909 175.386 177.300 -0.008 0.000 1.250 49 P CA -1.060 62.033 63.100 -0.012 0.000 0.793 49 P CB -0.040 31.650 31.700 -0.016 0.000 1.011 50 P HA -0.005 nan 4.420 nan 0.000 0.222 50 P C 0.343 177.641 177.300 -0.003 0.000 1.153 50 P CA 0.620 63.716 63.100 -0.006 0.000 0.798 50 P CB 0.150 31.845 31.700 -0.008 0.000 0.796 51 V N 1.350 121.261 119.914 -0.005 0.000 2.607 51 V HA 0.244 4.365 4.120 0.001 0.000 0.289 51 V C 0.993 177.090 176.094 0.005 0.000 1.053 51 V CA -0.349 61.950 62.300 -0.001 0.000 0.996 51 V CB 1.148 32.967 31.823 -0.006 0.000 0.995 51 V HN 0.216 nan 8.190 nan 0.000 0.476 52 S N 3.616 119.322 115.700 0.011 0.000 2.687 52 S HA 0.618 5.089 4.470 0.001 0.000 0.283 52 S C 1.096 175.711 174.600 0.025 0.000 1.170 52 S CA 0.013 58.224 58.200 0.018 0.000 1.008 52 S CB 1.832 65.044 63.200 0.019 0.000 1.026 52 S HN 1.002 nan 8.310 nan 0.000 0.541 53 A N 1.613 124.452 122.820 0.032 0.000 2.066 53 A HA 0.073 4.393 4.320 0.001 0.000 0.218 53 A C 2.148 179.760 177.584 0.047 0.000 1.157 53 A CA 1.394 53.457 52.037 0.044 0.000 0.670 53 A CB -1.136 17.894 19.000 0.051 0.000 0.804 53 A HN 1.297 nan 8.150 nan 0.000 0.453 54 S N -0.150 115.574 115.700 0.039 0.000 2.562 54 S HA 0.030 4.500 4.470 0.001 0.000 0.221 54 S C 0.275 174.895 174.600 0.033 0.000 0.975 54 S CA -0.130 58.092 58.200 0.038 0.000 0.918 54 S CB -0.268 62.952 63.200 0.033 0.000 0.772 54 S HN 0.433 nan 8.310 nan 0.000 0.531 55 D N 3.504 123.922 120.400 0.030 0.000 2.349 55 D HA 0.070 4.710 4.640 0.001 0.000 0.239 55 D C 0.243 176.561 176.300 0.031 0.000 1.315 55 D CA 0.236 54.252 54.000 0.026 0.000 0.937 55 D CB 0.184 40.996 40.800 0.020 0.000 1.133 55 D HN 0.521 nan 8.370 nan 0.000 0.489 56 D N -0.026 120.390 120.400 0.027 0.000 2.339 56 D HA -0.052 4.588 4.640 0.001 0.000 0.245 56 D C 1.364 177.685 176.300 0.035 0.000 1.115 56 D CA -0.561 53.458 54.000 0.032 0.000 0.917 56 D CB 1.335 42.152 40.800 0.027 0.000 1.192 56 D HN 0.193 nan 8.370 nan 0.000 0.428 57 L N 1.270 122.520 121.223 0.045 0.000 1.989 57 L HA -0.136 4.205 4.340 0.001 0.000 0.211 57 L C -0.737 176.153 176.870 0.033 0.000 1.071 57 L CA 1.896 56.767 54.840 0.051 0.000 0.749 57 L CB -1.564 40.538 42.059 0.071 0.000 0.890 57 L HN 0.361 nan 8.230 nan 0.000 0.431 58 P HA -0.097 nan 4.420 nan 0.000 0.218 58 P C 1.561 178.874 177.300 0.022 0.000 1.149 58 P CA 1.519 64.636 63.100 0.028 0.000 0.817 58 P CB -0.078 31.640 31.700 0.030 0.000 0.785 59 T N -0.687 113.878 114.554 0.017 0.000 2.737 59 T HA -0.092 4.259 4.350 0.001 0.000 0.265 59 T C 1.881 176.579 174.700 -0.004 0.000 1.038 59 T CA 1.231 63.336 62.100 0.008 0.000 1.144 59 T CB -1.158 67.716 68.868 0.010 0.000 0.866 59 T HN -0.127 nan 8.240 nan 0.000 0.434 60 V N 1.999 121.915 119.914 0.004 0.000 2.250 60 V HA -0.197 3.924 4.120 0.001 0.000 0.250 60 V C 2.564 178.635 176.094 -0.037 0.000 1.060 60 V CA 1.702 64.000 62.300 -0.003 0.000 1.030 60 V CB -0.818 31.020 31.823 0.026 0.000 0.643 60 V HN 0.449 nan 8.190 nan 0.000 0.445 61 L N -0.309 120.899 121.223 -0.026 0.000 2.131 61 L HA -0.152 4.189 4.340 0.001 0.000 0.210 61 L C 2.704 179.510 176.870 -0.105 0.000 1.092 61 L CA 1.458 56.271 54.840 -0.044 0.000 0.759 61 L CB -0.853 41.222 42.059 0.026 0.000 0.903 61 L HN 0.419 nan 8.230 nan 0.000 0.435 62 A N 0.166 122.960 122.820 -0.044 0.000 1.898 62 A HA -0.127 4.194 4.320 0.001 0.000 0.216 62 A C 2.540 180.034 177.584 -0.151 0.000 1.181 62 A CA 1.616 53.619 52.037 -0.057 0.000 0.620 62 A CB -0.507 18.490 19.000 -0.006 0.000 0.819 62 A HN 0.392 nan 8.150 nan 0.000 0.442 63 A N -0.575 122.169 122.820 -0.127 0.000 1.930 63 A HA 0.048 4.368 4.320 0.001 0.000 0.217 63 A C 2.216 179.676 177.584 -0.206 0.000 1.175 63 A CA 1.613 53.573 52.037 -0.128 0.000 0.627 63 A CB -0.904 18.053 19.000 -0.072 0.000 0.815 63 A HN 0.347 nan 8.150 nan 0.000 0.443 64 V N 0.122 119.871 119.914 -0.275 0.000 2.255 64 V HA -0.247 3.873 4.120 0.001 0.000 0.247 64 V C 2.867 178.502 176.094 -0.766 0.000 1.051 64 V CA 2.135 64.192 62.300 -0.405 0.000 1.018 64 V CB -1.555 30.059 31.823 -0.348 0.000 0.641 64 V HN 0.611 nan 8.190 nan 0.000 0.445 65 G N -0.491 107.546 108.800 -1.273 0.000 2.505 65 G HA2 -0.295 3.665 3.960 0.001 0.000 0.220 65 G HA3 -0.295 3.665 3.960 0.001 0.000 0.220 65 G C 1.722 176.282 174.900 -0.567 0.000 1.145 65 G CA 1.285 45.453 45.100 -1.553 0.000 0.761 65 G HN 0.661 nan 8.290 nan 0.000 0.571 66 A N 0.440 123.077 122.820 -0.305 0.000 1.929 66 A HA 0.105 4.425 4.320 0.001 0.000 0.216 66 A C 2.700 180.222 177.584 -0.103 0.000 1.176 66 A CA 2.040 53.994 52.037 -0.137 0.000 0.628 66 A CB -0.482 18.458 19.000 -0.099 0.000 0.816 66 A HN 0.312 nan 8.150 nan 0.000 0.444 67 S N -0.983 114.647 115.700 -0.116 0.000 2.359 67 S HA -0.231 4.239 4.470 0.001 0.000 0.224 67 S C 1.858 176.505 174.600 0.079 0.000 1.035 67 S CA 1.725 59.927 58.200 0.004 0.000 1.018 67 S CB -0.595 62.616 63.200 0.018 0.000 0.876 67 S HN 0.889 nan 8.310 nan 0.000 0.448 68 H N 1.710 120.707 119.070 -0.122 0.000 2.289 68 H HA -0.138 4.419 4.556 0.001 0.000 0.296 68 H C 1.756 177.082 175.328 -0.004 0.000 1.091 68 H CA 2.157 58.178 56.048 -0.045 0.000 1.274 68 H CB -0.269 29.471 29.762 -0.036 0.000 1.364 68 H HN 0.220 nan 8.280 nan 0.000 0.490 69 D N -0.395 120.068 120.400 0.105 0.000 2.116 69 D HA -0.153 4.488 4.640 0.001 0.000 0.193 69 D C 2.389 178.660 176.300 -0.048 0.000 0.998 69 D CA 1.504 55.542 54.000 0.063 0.000 0.836 69 D CB -0.941 39.901 40.800 0.071 0.000 0.951 69 D HN 0.642 nan 8.370 nan 0.000 0.449 70 G N -0.071 108.680 108.800 -0.081 0.000 2.433 70 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 70 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 70 G C 1.534 176.287 174.900 -0.245 0.000 1.186 70 G CA 0.321 45.318 45.100 -0.171 0.000 0.779 70 G HN 0.182 nan 8.290 nan 0.000 0.543 71 F N 0.607 120.447 119.950 -0.183 0.000 2.146 71 F HA -0.007 4.520 4.527 0.001 0.000 0.298 71 F C 2.904 178.518 175.800 -0.310 0.000 1.096 71 F CA 1.535 59.395 58.000 -0.232 0.000 1.275 71 F CB -0.388 38.434 39.000 -0.297 0.000 1.008 71 F HN 0.137 nan 8.300 nan 0.000 0.480 72 Q N 0.516 120.176 119.800 -0.234 0.000 2.124 72 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 72 Q C 2.129 178.079 176.000 -0.082 0.000 0.977 72 Q CA 1.768 57.406 55.803 -0.276 0.000 0.850 72 Q CB -0.427 28.082 28.738 -0.382 0.000 0.901 72 Q HN 0.334 nan 8.270 nan 0.000 0.429 73 A N -0.971 121.816 122.820 -0.054 0.000 1.968 73 A HA -0.059 4.261 4.320 0.001 0.000 0.217 73 A C 2.205 179.811 177.584 0.037 0.000 1.169 73 A CA 1.215 53.259 52.037 0.012 0.000 0.638 73 A CB -0.594 18.417 19.000 0.019 0.000 0.812 73 A HN 0.252 nan 8.150 nan 0.000 0.446 74 V N -1.092 118.793 119.914 -0.048 0.000 2.255 74 V HA -0.304 3.816 4.120 0.001 0.000 0.247 74 V C 2.397 178.492 176.094 0.002 0.000 1.051 74 V CA 2.113 64.299 62.300 -0.191 0.000 1.018 74 V CB -1.095 30.529 31.823 -0.331 0.000 0.641 74 V HN 0.630 nan 8.190 nan 0.000 0.445 75 Y N 0.700 120.912 120.300 -0.147 0.000 2.207 75 Y HA -0.186 4.364 4.550 0.001 0.000 0.287 75 Y C 2.463 178.309 175.900 -0.090 0.000 1.156 75 Y CA 1.320 59.335 58.100 -0.141 0.000 1.182 75 Y CB -0.704 37.646 38.460 -0.183 0.000 0.979 75 Y HN 0.355 nan 8.280 nan 0.000 0.521 76 D N -1.609 118.852 120.400 0.102 0.000 2.277 76 D HA -0.079 4.562 4.640 0.001 0.000 0.208 76 D C 2.151 178.494 176.300 0.070 0.000 0.962 76 D CA 1.332 55.369 54.000 0.061 0.000 0.865 76 D CB -0.114 40.715 40.800 0.049 0.000 0.939 76 D HN 0.387 nan 8.370 nan 0.000 0.510 77 S N -0.682 115.086 115.700 0.115 0.000 2.514 77 S HA 0.087 4.558 4.470 0.001 0.000 0.223 77 S C 0.838 175.570 174.600 0.220 0.000 1.046 77 S CA -0.523 57.776 58.200 0.166 0.000 0.914 77 S CB 0.433 63.770 63.200 0.229 0.000 0.807 77 S HN 0.131 nan 8.310 nan 0.000 0.497 78 I N 2.821 123.543 120.570 0.253 0.000 2.696 78 I HA 0.469 4.639 4.170 0.001 0.000 0.284 78 I C 0.624 176.845 176.117 0.174 0.000 1.129 78 I CA -0.496 61.017 61.300 0.356 0.000 1.410 78 I CB 0.999 39.158 38.000 0.266 0.000 1.399 78 I HN 0.413 nan 8.210 nan 0.000 0.579 79 A N 7.128 130.046 122.820 0.163 0.000 2.531 79 A HA 0.217 4.538 4.320 0.001 0.000 0.236 79 A C 0.437 177.951 177.584 -0.117 0.000 1.062 79 A CA 0.219 52.173 52.037 -0.138 0.000 0.760 79 A CB 0.284 18.975 19.000 -0.516 0.000 0.995 79 A HN 0.916 nan 8.150 nan 0.000 0.501 80 L N 0.387 121.521 121.223 -0.147 0.000 2.815 80 L HA 0.147 4.488 4.340 0.001 0.000 0.241 80 L C -0.147 176.725 176.870 0.004 0.000 1.047 80 L CA -0.220 54.597 54.840 -0.038 0.000 0.939 80 L CB -0.006 42.029 42.059 -0.040 0.000 1.490 80 L HN 0.573 nan 8.230 nan 0.000 0.510 81 D N 1.738 122.117 120.400 -0.035 0.000 2.414 81 D HA 0.344 4.984 4.640 0.001 0.000 0.242 81 D C -0.280 176.086 176.300 0.110 0.000 1.129 81 D CA 0.679 54.690 54.000 0.018 0.000 0.885 81 D CB 1.411 42.200 40.800 -0.018 0.000 1.198 81 D HN -0.016 nan 8.370 nan 0.000 0.437 82 L N 3.034 124.280 121.223 0.037 0.000 2.354 82 L HA 0.285 4.625 4.340 0.001 0.000 0.269 82 L C -1.474 175.390 176.870 -0.010 0.000 1.005 82 L CA -1.777 53.063 54.840 -0.001 0.000 0.819 82 L CB 2.476 44.520 42.059 -0.024 0.000 1.311 82 L HN 0.177 nan 8.230 nan 0.000 0.423 83 P HA -0.079 nan 4.420 nan 0.000 0.223 83 P C 1.090 178.379 177.300 -0.018 0.000 1.151 83 P CA 0.879 63.968 63.100 -0.019 0.000 0.787 83 P CB -0.055 31.630 31.700 -0.025 0.000 0.788 84 T N -4.695 109.846 114.554 -0.021 0.000 3.129 84 T HA 0.054 4.404 4.350 0.001 0.000 0.251 84 T C 0.490 175.179 174.700 -0.018 0.000 1.117 84 T CA -0.291 61.797 62.100 -0.019 0.000 1.034 84 T CB -0.738 68.118 68.868 -0.020 0.000 0.968 84 T HN -0.095 nan 8.240 nan 0.000 0.526 85 D N 2.403 122.793 120.400 -0.017 0.000 2.443 85 D HA 0.275 4.915 4.640 0.001 0.000 0.239 85 D C 0.165 176.453 176.300 -0.020 0.000 1.136 85 D CA 0.207 54.196 54.000 -0.018 0.000 0.879 85 D CB 0.713 41.505 40.800 -0.014 0.000 1.195 85 D HN 0.328 nan 8.370 nan 0.000 0.443 86 R N 1.245 121.729 120.500 -0.027 0.000 2.460 86 R HA 0.327 4.667 4.340 0.001 0.000 0.303 86 R C -0.117 176.171 176.300 -0.019 0.000 0.968 86 R CA -0.456 55.630 56.100 -0.024 0.000 0.889 86 R CB 1.363 31.645 30.300 -0.031 0.000 1.123 86 R HN 0.250 nan 8.270 nan 0.000 0.455 87 D N 0.918 121.313 120.400 -0.008 0.000 2.540 87 D HA -0.009 4.631 4.640 0.001 0.000 0.229 87 D C -0.685 175.622 176.300 0.012 0.000 1.250 87 D CA 0.157 54.160 54.000 0.004 0.000 0.817 87 D CB 0.755 41.558 40.800 0.006 0.000 1.060 87 D HN 0.544 nan 8.370 nan 0.000 0.508 88 D N 1.218 121.622 120.400 0.007 0.000 2.741 88 D HA 0.107 4.748 4.640 0.001 0.000 0.233 88 D C 0.111 176.422 176.300 0.018 0.000 1.160 88 D CA -0.366 53.640 54.000 0.010 0.000 1.003 88 D CB 0.860 41.662 40.800 0.003 0.000 1.064 88 D HN -0.191 nan 8.370 nan 0.000 0.503 89 V N 1.226 121.161 119.914 0.034 0.000 2.588 89 V HA 0.260 4.381 4.120 0.001 0.000 0.304 89 V C -0.113 176.015 176.094 0.056 0.000 1.042 89 V CA -0.921 61.415 62.300 0.059 0.000 0.877 89 V CB 2.171 34.053 31.823 0.098 0.000 0.996 89 V HN 0.341 nan 8.190 nan 0.000 0.425 90 E N 2.367 122.593 120.200 0.044 0.000 2.222 90 E HA 0.799 5.149 4.350 0.001 0.000 0.267 90 E C -0.744 175.844 176.600 -0.020 0.000 0.963 90 E CA -0.840 55.568 56.400 0.013 0.000 0.837 90 E CB 1.981 31.683 29.700 0.002 0.000 1.183 90 E HN 0.633 nan 8.360 nan 0.000 0.403 91 T N -1.087 113.415 114.554 -0.086 0.000 2.893 91 T HA 0.681 5.032 4.350 0.001 0.000 0.291 91 T C -0.345 174.259 174.700 -0.160 0.000 1.028 91 T CA -0.881 61.080 62.100 -0.232 0.000 0.995 91 T CB 1.448 70.141 68.868 -0.292 0.000 1.051 91 T HN 0.645 nan 8.240 nan 0.000 0.470 92 S N 0.492 116.082 115.700 -0.183 0.000 2.625 92 S HA 0.883 5.354 4.470 0.001 0.000 0.271 92 S C -0.603 173.915 174.600 -0.137 0.000 1.161 92 S CA -0.798 57.333 58.200 -0.114 0.000 0.820 92 S CB 1.555 64.717 63.200 -0.065 0.000 1.137 92 S HN 1.375 nan 8.310 nan 0.000 0.470 93 T N -1.132 113.348 114.554 -0.124 0.000 2.907 93 T HA 0.818 5.169 4.350 0.001 0.000 0.292 93 T C -1.391 173.205 174.700 -0.173 0.000 1.043 93 T CA -0.691 61.299 62.100 -0.183 0.000 1.003 93 T CB 1.875 70.612 68.868 -0.219 0.000 1.084 93 T HN 0.651 nan 8.240 nan 0.000 0.483 94 E N 0.904 120.959 120.200 -0.241 0.000 2.343 94 E HA 0.525 4.875 4.350 0.001 0.000 0.270 94 E C -1.074 175.321 176.600 -0.342 0.000 0.895 94 E CA -0.845 55.389 56.400 -0.277 0.000 0.767 94 E CB 2.536 32.009 29.700 -0.378 0.000 1.248 94 E HN 0.759 nan 8.360 nan 0.000 0.440 95 T N 2.308 116.674 114.554 -0.313 0.000 2.824 95 T HA 0.610 4.960 4.350 0.001 0.000 0.282 95 T C 0.322 174.805 174.700 -0.361 0.000 0.993 95 T CA -0.596 61.325 62.100 -0.298 0.000 0.967 95 T CB 0.551 69.305 68.868 -0.190 0.000 0.960 95 T HN 0.426 nan 8.240 nan 0.000 0.441 96 I N 0.072 120.402 120.570 -0.400 0.000 3.170 96 I HA 0.787 4.957 4.170 0.001 0.000 0.312 96 I C -1.432 174.572 176.117 -0.188 0.000 1.085 96 I CA -1.630 59.457 61.300 -0.355 0.000 0.999 96 I CB 1.465 39.123 38.000 -0.570 0.000 1.233 96 I HN 0.383 nan 8.210 nan 0.000 0.467 97 L N 1.937 123.096 121.223 -0.107 0.000 2.325 97 L HA 0.748 5.089 4.340 0.001 0.000 0.278 97 L C 0.627 177.471 176.870 -0.044 0.000 1.023 97 L CA -0.064 54.737 54.840 -0.065 0.000 0.811 97 L CB 1.631 43.669 42.059 -0.034 0.000 1.249 97 L HN 0.878 nan 8.230 nan 0.000 0.431 98 G N 0.828 109.601 108.800 -0.045 0.000 2.702 98 G HA2 0.415 4.376 3.960 0.001 0.000 0.254 98 G HA3 0.415 4.376 3.960 0.001 0.000 0.254 98 G C 0.670 175.554 174.900 -0.027 0.000 1.380 98 G CA -0.498 44.582 45.100 -0.033 0.000 1.042 98 G HN 0.324 nan 8.290 nan 0.000 0.557 99 V N 0.377 120.273 119.914 -0.031 0.000 2.809 99 V HA -0.031 4.090 4.120 0.001 0.000 0.256 99 V C 1.276 177.353 176.094 -0.029 0.000 1.080 99 V CA 1.567 63.849 62.300 -0.029 0.000 1.102 99 V CB -0.207 31.592 31.823 -0.041 0.000 0.705 99 V HN 0.523 nan 8.190 nan 0.000 0.475 100 D N 0.168 120.548 120.400 -0.034 0.000 2.395 100 D HA 0.214 4.855 4.640 0.001 0.000 0.226 100 D C 1.604 177.890 176.300 -0.023 0.000 1.146 100 D CA 0.806 54.789 54.000 -0.028 0.000 0.830 100 D CB 0.329 41.112 40.800 -0.028 0.000 0.958 100 D HN 0.434 nan 8.370 nan 0.000 0.501 101 G N 2.733 111.520 108.800 -0.023 0.000 2.296 101 G HA2 -0.305 3.655 3.960 0.001 0.000 0.282 101 G HA3 -0.305 3.655 3.960 0.001 0.000 0.282 101 G C 0.240 175.121 174.900 -0.032 0.000 1.014 101 G CA 0.143 45.229 45.100 -0.023 0.000 0.812 101 G HN 0.434 nan 8.290 nan 0.000 0.508 102 N N 0.190 118.864 118.700 -0.043 0.000 2.518 102 N HA 0.322 5.063 4.740 0.001 0.000 0.283 102 N C -0.212 175.259 175.510 -0.066 0.000 1.119 102 N CA -0.437 52.579 53.050 -0.056 0.000 0.983 102 N CB 1.345 39.789 38.487 -0.072 0.000 1.139 102 N HN 0.414 nan 8.380 nan 0.000 0.465 103 E N 0.952 121.109 120.200 -0.071 0.000 2.290 103 E HA 0.258 4.608 4.350 0.001 0.000 0.277 103 E C -0.397 176.142 176.600 -0.102 0.000 1.035 103 E CA -0.137 56.210 56.400 -0.088 0.000 0.873 103 E CB 0.821 30.471 29.700 -0.083 0.000 1.029 103 E HN 0.510 nan 8.360 nan 0.000 0.419 104 I N 3.335 123.829 120.570 -0.127 0.000 2.355 104 I HA 0.143 4.313 4.170 0.001 0.000 0.288 104 I C -0.082 175.928 176.117 -0.177 0.000 0.999 104 I CA -0.548 60.676 61.300 -0.127 0.000 1.163 104 I CB 1.684 39.618 38.000 -0.109 0.000 1.316 104 I HN 0.369 nan 8.210 nan 0.000 0.454 105 T N 7.307 121.763 114.554 -0.162 0.000 2.851 105 T HA 0.440 4.790 4.350 0.001 0.000 0.298 105 T C 0.005 174.548 174.700 -0.260 0.000 0.977 105 T CA -0.235 61.713 62.100 -0.254 0.000 1.126 105 T CB 0.523 69.216 68.868 -0.291 0.000 0.916 105 T HN 0.284 nan 8.240 nan 0.000 0.529 106 L N 3.807 124.836 121.223 -0.324 0.000 2.307 106 L HA 0.441 4.781 4.340 0.001 0.000 0.284 106 L C -0.267 176.443 176.870 -0.266 0.000 1.023 106 L CA -0.906 53.806 54.840 -0.214 0.000 0.810 106 L CB 0.967 42.888 42.059 -0.230 0.000 1.231 106 L HN 0.715 nan 8.230 nan 0.000 0.423 107 H N 1.862 120.948 119.070 0.026 0.000 2.581 107 H HA 0.413 4.970 4.556 0.001 0.000 0.308 107 H C -0.641 174.661 175.328 -0.043 0.000 1.040 107 H CA -0.461 55.565 56.048 -0.036 0.000 1.231 107 H CB 1.581 31.385 29.762 0.070 0.000 1.396 107 H HN 0.207 nan 8.280 nan 0.000 0.467 108 V N 5.174 125.025 119.914 -0.105 0.000 2.398 108 V HA 0.284 4.405 4.120 0.001 0.000 0.286 108 V C -0.599 175.356 176.094 -0.232 0.000 1.026 108 V CA -0.601 61.682 62.300 -0.028 0.000 0.868 108 V CB 0.320 32.149 31.823 0.010 0.000 0.982 108 V HN 0.556 nan 8.190 nan 0.000 0.443 109 F N 4.747 124.734 119.950 0.060 0.000 2.493 109 F HA 0.818 5.345 4.527 0.001 0.000 0.329 109 F C 0.353 176.158 175.800 0.009 0.000 1.126 109 F CA -0.736 57.280 58.000 0.027 0.000 0.937 109 F CB 1.815 40.817 39.000 0.003 0.000 1.146 109 F HN 0.520 nan 8.300 nan 0.000 0.442 110 R N 1.741 122.330 120.500 0.149 0.000 2.740 110 R HA 0.649 4.989 4.340 0.001 0.000 0.273 110 R C -3.358 172.978 176.300 0.060 0.000 0.998 110 R CA -2.416 53.737 56.100 0.088 0.000 0.900 110 R CB 1.525 31.862 30.300 0.061 0.000 1.223 110 R HN 0.159 nan 8.270 nan 0.000 0.466 111 P HA 0.015 nan 4.420 nan 0.000 0.262 111 P C -0.364 176.947 177.300 0.017 0.000 1.199 111 P CA 0.044 63.155 63.100 0.019 0.000 0.763 111 P CB 0.657 32.359 31.700 0.004 0.000 0.790 112 A N 3.779 126.608 122.820 0.016 0.000 2.522 112 A HA 0.422 4.742 4.320 0.001 0.000 0.256 112 A C 1.454 179.043 177.584 0.007 0.000 1.086 112 A CA 0.628 52.672 52.037 0.012 0.000 0.763 112 A CB -1.321 17.685 19.000 0.011 0.000 1.024 112 A HN 0.903 nan 8.150 nan 0.000 0.502 113 G N 1.157 109.961 108.800 0.007 0.000 2.171 113 G HA2 -0.052 3.909 3.960 0.001 0.000 0.238 113 G HA3 -0.052 3.909 3.960 0.001 0.000 0.238 113 G C -0.153 174.749 174.900 0.004 0.000 1.039 113 G CA 0.031 45.134 45.100 0.004 0.000 0.759 113 G HN 1.511 nan 8.290 nan 0.000 0.501 114 V N 0.959 120.876 119.914 0.005 0.000 2.325 114 V HA 0.360 4.481 4.120 0.001 0.000 0.280 114 V C 0.481 176.578 176.094 0.005 0.000 1.016 114 V CA -0.845 61.457 62.300 0.003 0.000 0.818 114 V CB 1.252 33.077 31.823 0.003 0.000 1.019 114 V HN 0.468 nan 8.190 nan 0.000 0.434 115 E N 2.937 123.139 120.200 0.003 0.000 2.374 115 E HA 0.629 4.979 4.350 0.001 0.000 0.260 115 E C 0.677 177.279 176.600 0.002 0.000 1.101 115 E CA 0.458 56.860 56.400 0.003 0.000 0.907 115 E CB 1.174 30.875 29.700 0.002 0.000 1.014 115 E HN 0.999 nan 8.360 nan 0.000 0.427 116 G N -0.406 108.396 108.800 0.003 0.000 2.603 116 G HA2 -0.121 3.839 3.960 0.001 0.000 0.686 116 G HA3 -0.121 3.839 3.960 0.001 0.000 0.686 116 G C -0.303 174.598 174.900 0.001 0.000 1.286 116 G CA -0.632 44.468 45.100 0.001 0.000 0.871 116 G HN 0.715 nan 8.290 nan 0.000 0.568 117 V N -1.677 118.237 119.914 -0.001 0.000 2.881 117 V HA 0.842 4.963 4.120 0.001 0.000 0.303 117 V C 0.362 176.456 176.094 -0.001 0.000 1.070 117 V CA -0.691 61.609 62.300 -0.001 0.000 1.074 117 V CB 1.359 33.180 31.823 -0.005 0.000 1.012 117 V HN 1.242 nan 8.190 nan 0.000 0.482 118 L N 3.164 124.388 121.223 0.002 0.000 2.415 118 L HA 0.715 5.055 4.340 0.001 0.000 0.256 118 L C -2.703 174.166 176.870 -0.001 0.000 1.010 118 L CA -2.156 52.684 54.840 -0.000 0.000 0.826 118 L CB 2.265 44.326 42.059 0.005 0.000 1.405 118 L HN 0.488 nan 8.230 nan 0.000 0.410 119 P HA 0.265 nan 4.420 nan 0.000 0.268 119 P C -0.406 176.897 177.300 0.006 0.000 1.204 119 P CA -0.087 63.007 63.100 -0.010 0.000 0.768 119 P CB 0.525 32.211 31.700 -0.022 0.000 0.842 120 G N 2.648 111.458 108.800 0.017 0.000 2.371 120 G HA2 0.644 4.604 3.960 0.001 0.000 0.326 120 G HA3 0.644 4.604 3.960 0.001 0.000 0.326 120 G C -1.422 173.511 174.900 0.055 0.000 1.127 120 G CA -0.528 44.598 45.100 0.043 0.000 0.885 120 G HN 0.386 nan 8.290 nan 0.000 0.477 121 L N 1.605 122.873 121.223 0.075 0.000 2.409 121 L HA 0.400 4.741 4.340 0.001 0.000 0.272 121 L C -0.471 176.489 176.870 0.150 0.000 0.980 121 L CA -0.941 53.960 54.840 0.101 0.000 0.826 121 L CB 2.607 44.704 42.059 0.062 0.000 1.268 121 L HN 0.240 nan 8.230 nan 0.000 0.407 122 V N 3.000 123.017 119.914 0.172 0.000 2.407 122 V HA 0.230 4.350 4.120 0.001 0.000 0.278 122 V C -0.869 175.384 176.094 0.265 0.000 1.037 122 V CA -0.557 61.866 62.300 0.204 0.000 0.900 122 V CB 1.221 33.142 31.823 0.163 0.000 0.983 122 V HN 0.468 nan 8.190 nan 0.000 0.459 123 Y N 4.684 125.079 120.300 0.158 0.000 2.342 123 Y HA 0.553 5.104 4.550 0.001 0.000 0.338 123 Y C 0.531 176.541 175.900 0.184 0.000 0.965 123 Y CA -1.107 57.102 58.100 0.181 0.000 1.159 123 Y CB 1.399 39.981 38.460 0.204 0.000 1.157 123 Y HN 0.734 nan 8.280 nan 0.000 0.486 124 T N 3.768 118.146 114.554 -0.294 0.000 2.753 124 T HA 0.348 4.699 4.350 0.001 0.000 0.297 124 T C -0.352 173.952 174.700 -0.661 0.000 0.981 124 T CA -0.663 61.202 62.100 -0.392 0.000 0.956 124 T CB -0.255 68.460 68.868 -0.254 0.000 0.936 124 T HN 0.788 nan 8.240 nan 0.000 0.463 125 H N 2.454 121.132 119.070 -0.655 0.000 2.603 125 H HA 0.692 5.248 4.556 0.001 0.000 0.370 125 H C 0.790 176.030 175.328 -0.148 0.000 1.225 125 H CA -0.438 55.226 56.048 -0.639 0.000 1.410 125 H CB 0.061 29.288 29.762 -0.891 0.000 1.495 125 H HN 0.776 nan 8.280 nan 0.000 0.602 126 G N -1.500 107.407 108.800 0.178 0.000 2.510 126 G HA2 0.431 4.391 3.960 0.001 0.000 0.280 126 G HA3 0.431 4.391 3.960 0.001 0.000 0.280 126 G C 0.529 175.542 174.900 0.189 0.000 1.386 126 G CA -0.894 44.285 45.100 0.131 0.000 1.047 126 G HN 1.603 nan 8.290 nan 0.000 0.527 127 G N -2.831 105.947 108.800 -0.037 0.000 2.141 127 G HA2 0.340 4.301 3.960 0.001 0.000 0.164 127 G HA3 0.340 4.301 3.960 0.001 0.000 0.164 127 G C 1.201 175.982 174.900 -0.199 0.000 1.009 127 G CA 0.727 45.751 45.100 -0.127 0.000 0.677 127 G HN 2.440 nan 8.290 nan 0.000 0.508 128 G N -0.735 107.833 108.800 -0.387 0.000 2.179 128 G HA2 -0.058 3.902 3.960 0.001 0.000 0.257 128 G HA3 -0.058 3.902 3.960 0.001 0.000 0.257 128 G C 0.954 175.731 174.900 -0.206 0.000 1.010 128 G CA 1.215 45.953 45.100 -0.604 0.000 0.736 128 G HN 1.857 nan 8.290 nan 0.000 0.513 129 M N -2.742 116.788 119.600 -0.116 0.000 2.908 129 M HA -0.203 4.277 4.480 0.001 0.000 0.191 129 M C 1.264 177.689 176.300 0.209 0.000 0.619 129 M CA 2.491 57.785 55.300 -0.009 0.000 0.709 129 M CB -2.348 30.026 32.600 -0.375 0.000 2.554 129 M HN 0.430 nan 8.290 nan 0.000 0.356 130 T N -1.445 113.224 114.554 0.191 0.000 3.177 130 T HA 0.544 4.895 4.350 0.001 0.000 0.262 130 T C 0.570 175.454 174.700 0.306 0.000 0.959 130 T CA 0.575 62.842 62.100 0.279 0.000 0.996 130 T CB 0.742 69.747 68.868 0.229 0.000 1.185 130 T HN 0.586 nan 8.240 nan 0.000 0.486 131 I N -0.902 119.799 120.570 0.218 0.000 3.108 131 I HA 0.751 4.922 4.170 0.001 0.000 0.312 131 I C -1.721 174.529 176.117 0.221 0.000 1.095 131 I CA -1.555 59.930 61.300 0.308 0.000 1.000 131 I CB 2.223 40.336 38.000 0.188 0.000 1.229 131 I HN 0.080 nan 8.210 nan 0.000 0.454 132 L N 1.053 122.416 121.223 0.233 0.000 0.674 132 L HA -0.094 4.246 4.340 0.001 0.000 0.368 132 L C 0.011 176.897 176.870 0.027 0.000 1.003 132 L CA 0.219 55.007 54.840 -0.087 0.000 1.214 132 L CB -0.631 41.273 42.059 -0.257 0.000 0.502 132 L HN 1.113 nan 8.230 nan 0.000 0.301 133 T N -1.337 113.204 114.554 -0.022 0.000 2.898 133 T HA 0.321 4.672 4.350 0.001 0.000 0.301 133 T C 0.962 175.565 174.700 -0.162 0.000 1.049 133 T CA 0.107 62.198 62.100 -0.015 0.000 1.095 133 T CB 1.537 70.419 68.868 0.022 0.000 0.976 133 T HN 0.623 nan 8.240 nan 0.000 0.539 134 T N 0.794 115.284 114.554 -0.107 0.000 2.668 134 T HA -0.029 4.322 4.350 0.001 0.000 0.258 134 T C 0.844 175.590 174.700 0.076 0.000 1.051 134 T CA 1.199 63.253 62.100 -0.076 0.000 1.155 134 T CB -0.454 68.455 68.868 0.069 0.000 0.864 134 T HN 0.816 nan 8.240 nan 0.000 0.413 135 D N 2.877 123.267 120.400 -0.016 0.000 2.508 135 D HA 0.159 4.799 4.640 0.001 0.000 0.224 135 D C -0.341 175.942 176.300 -0.029 0.000 1.171 135 D CA -0.396 53.549 54.000 -0.091 0.000 1.006 135 D CB -0.723 39.985 40.800 -0.154 0.000 1.073 135 D HN 0.480 nan 8.370 nan 0.000 0.513 136 N N -0.586 118.100 118.700 -0.024 0.000 2.629 136 N HA 0.323 5.064 4.740 0.001 0.000 0.279 136 N C 0.972 176.460 175.510 -0.037 0.000 1.344 136 N CA -0.927 52.091 53.050 -0.053 0.000 0.789 136 N CB 0.896 39.316 38.487 -0.112 0.000 1.508 136 N HN 0.004 nan 8.380 nan 0.000 0.516 137 R N -0.527 119.952 120.500 -0.034 0.000 2.115 137 R HA 0.076 4.417 4.340 0.001 0.000 0.226 137 R C 0.745 177.014 176.300 -0.051 0.000 1.100 137 R CA 0.954 57.041 56.100 -0.022 0.000 0.980 137 R CB -0.928 29.360 30.300 -0.020 0.000 0.875 137 R HN 0.316 nan 8.270 nan 0.000 0.445 138 V N 1.779 121.614 119.914 -0.130 0.000 2.307 138 V HA -0.217 3.904 4.120 0.001 0.000 0.245 138 V C 2.089 178.181 176.094 -0.004 0.000 1.045 138 V CA 2.019 64.198 62.300 -0.201 0.000 1.024 138 V CB -0.742 30.733 31.823 -0.580 0.000 0.651 138 V HN 0.448 nan 8.190 nan 0.000 0.449 139 H N -0.487 118.631 119.070 0.080 0.000 2.389 139 H HA -0.053 4.503 4.556 0.001 0.000 0.299 139 H C 2.615 177.975 175.328 0.052 0.000 1.081 139 H CA 1.152 57.296 56.048 0.160 0.000 1.345 139 H CB 0.035 29.943 29.762 0.242 0.000 1.393 139 H HN 0.267 nan 8.280 nan 0.000 0.520 140 R N 0.495 121.076 120.500 0.134 0.000 2.081 140 R HA -0.124 4.217 4.340 0.001 0.000 0.235 140 R C 2.446 178.701 176.300 -0.074 0.000 1.131 140 R CA 1.030 57.157 56.100 0.045 0.000 0.960 140 R CB -0.088 30.297 30.300 0.141 0.000 0.856 140 R HN 0.105 nan 8.270 nan 0.000 0.436 141 R N 0.777 121.270 120.500 -0.012 0.000 2.083 141 R HA -0.181 4.159 4.340 0.001 0.000 0.237 141 R C 1.900 178.168 176.300 -0.052 0.000 1.137 141 R CA 1.765 57.850 56.100 -0.026 0.000 0.951 141 R CB -0.911 29.389 30.300 0.000 0.000 0.851 141 R HN 0.453 nan 8.270 nan 0.000 0.434 142 W N 0.214 121.379 121.300 -0.224 0.000 2.333 142 W HA -0.304 4.357 4.660 0.001 0.000 0.316 142 W C 1.760 178.025 176.519 -0.424 0.000 1.215 142 W CA 1.778 58.938 57.345 -0.308 0.000 1.278 142 W CB -0.586 28.661 29.460 -0.355 0.000 1.154 142 W HN 0.194 nan 8.180 nan 0.000 0.486 143 C N 0.738 119.641 119.300 -0.662 0.000 2.413 143 C HA -0.210 4.251 4.460 0.001 0.000 0.277 143 C C 2.639 177.130 174.990 -0.833 0.000 1.265 143 C CA 1.860 60.288 59.018 -0.984 0.000 1.752 143 C CB -1.494 25.323 27.740 -1.539 0.000 1.998 143 C HN 0.415 nan 8.230 nan 0.000 0.489 144 T N 0.607 114.812 114.554 -0.582 0.000 2.777 144 T HA -0.142 4.209 4.350 0.001 0.000 0.266 144 T C 1.305 175.856 174.700 -0.248 0.000 1.040 144 T CA 1.609 63.547 62.100 -0.269 0.000 1.141 144 T CB -0.399 68.407 68.868 -0.104 0.000 0.868 144 T HN 0.500 nan 8.240 nan 0.000 0.444 145 D N 1.204 121.426 120.400 -0.297 0.000 2.123 145 D HA -0.043 4.598 4.640 0.001 0.000 0.196 145 D C 2.094 178.176 176.300 -0.363 0.000 0.992 145 D CA 0.868 54.700 54.000 -0.279 0.000 0.833 145 D CB -0.349 40.292 40.800 -0.264 0.000 0.954 145 D HN 0.314 nan 8.370 nan 0.000 0.455 146 L N 0.365 121.247 121.223 -0.568 0.000 2.072 146 L HA -0.063 4.278 4.340 0.001 0.000 0.205 146 L C 2.520 179.211 176.870 -0.299 0.000 1.079 146 L CA 0.901 55.423 54.840 -0.529 0.000 0.752 146 L CB -0.368 41.238 42.059 -0.756 0.000 0.906 146 L HN -0.028 nan 8.230 nan 0.000 0.436 147 A N 0.178 122.849 122.820 -0.249 0.000 1.902 147 A HA -0.175 4.145 4.320 0.001 0.000 0.217 147 A C 2.458 179.994 177.584 -0.079 0.000 1.181 147 A CA 1.725 53.699 52.037 -0.105 0.000 0.623 147 A CB -0.639 18.355 19.000 -0.010 0.000 0.818 147 A HN 0.401 nan 8.150 nan 0.000 0.443 148 A N -0.505 122.258 122.820 -0.096 0.000 2.067 148 A HA 0.290 4.611 4.320 0.001 0.000 0.219 148 A C 2.240 179.782 177.584 -0.069 0.000 1.158 148 A CA 1.539 53.537 52.037 -0.066 0.000 0.661 148 A CB -0.659 18.303 19.000 -0.064 0.000 0.801 148 A HN 1.023 nan 8.150 nan 0.000 0.452 149 A N -1.503 121.257 122.820 -0.099 0.000 2.206 149 A HA 0.407 4.727 4.320 0.001 0.000 0.211 149 A C 1.497 179.043 177.584 -0.063 0.000 1.158 149 A CA 1.202 53.189 52.037 -0.083 0.000 0.761 149 A CB -0.642 18.291 19.000 -0.112 0.000 0.801 149 A HN 1.813 nan 8.150 nan 0.000 0.473 150 G N -1.173 107.592 108.800 -0.059 0.000 2.337 150 G HA2 0.016 3.976 3.960 0.001 0.000 0.134 150 G HA3 0.016 3.976 3.960 0.001 0.000 0.134 150 G C -0.201 174.678 174.900 -0.035 0.000 1.052 150 G CA -0.023 45.055 45.100 -0.037 0.000 0.737 150 G HN 0.611 nan 8.290 nan 0.000 0.485 151 S N -1.233 114.441 115.700 -0.043 0.000 2.568 151 S HA 0.773 5.243 4.470 0.001 0.000 0.293 151 S C 0.123 174.722 174.600 -0.001 0.000 1.089 151 S CA -0.763 57.416 58.200 -0.034 0.000 0.945 151 S CB 2.731 65.888 63.200 -0.072 0.000 1.077 151 S HN 0.730 nan 8.310 nan 0.000 0.485 152 V N 2.375 122.303 119.914 0.025 0.000 2.439 152 V HA 0.475 4.595 4.120 0.001 0.000 0.282 152 V C -0.478 175.666 176.094 0.084 0.000 1.039 152 V CA -0.450 61.889 62.300 0.065 0.000 0.913 152 V CB 1.327 33.193 31.823 0.072 0.000 0.983 152 V HN 0.661 nan 8.190 nan 0.000 0.460 153 V N 5.523 125.520 119.914 0.138 0.000 2.487 153 V HA 0.437 4.558 4.120 0.001 0.000 0.298 153 V C -0.335 175.938 176.094 0.298 0.000 1.028 153 V CA -0.561 61.830 62.300 0.151 0.000 0.860 153 V CB 2.076 33.905 31.823 0.010 0.000 0.991 153 V HN 0.599 nan 8.190 nan 0.000 0.427 154 V N 6.048 126.125 119.914 0.272 0.000 2.313 154 V HA 0.411 4.531 4.120 0.001 0.000 0.278 154 V C 0.017 176.316 176.094 0.342 0.000 1.017 154 V CA -0.315 62.162 62.300 0.295 0.000 0.823 154 V CB 1.391 33.355 31.823 0.236 0.000 1.010 154 V HN 0.926 nan 8.190 nan 0.000 0.443 155 M N 6.127 125.995 119.600 0.447 0.000 2.105 155 M HA 0.448 4.928 4.480 0.001 0.000 0.350 155 M C -0.808 175.704 176.300 0.353 0.000 1.308 155 M CA -0.228 55.353 55.300 0.470 0.000 1.108 155 M CB 0.987 33.962 32.600 0.625 0.000 1.622 155 M HN 0.429 nan 8.290 nan 0.000 0.468 156 V N 4.834 124.902 119.914 0.258 0.000 2.455 156 V HA 0.094 4.215 4.120 0.001 0.000 0.273 156 V C -0.039 176.175 176.094 0.200 0.000 1.045 156 V CA -0.313 62.109 62.300 0.204 0.000 0.976 156 V CB 0.939 32.884 31.823 0.205 0.000 0.993 156 V HN 0.730 nan 8.190 nan 0.000 0.475 157 D N 5.591 126.067 120.400 0.127 0.000 2.522 157 D HA 0.241 4.881 4.640 0.001 0.000 0.218 157 D C -0.032 176.239 176.300 -0.050 0.000 1.149 157 D CA -0.481 53.531 54.000 0.020 0.000 0.981 157 D CB -0.127 40.724 40.800 0.085 0.000 1.041 157 D HN 0.330 nan 8.370 nan 0.000 0.518 158 F N 0.184 120.131 119.950 -0.005 0.000 2.406 158 F HA 0.509 5.036 4.527 0.001 0.000 0.327 158 F C 0.736 176.509 175.800 -0.045 0.000 1.153 158 F CA -1.223 56.744 58.000 -0.055 0.000 1.218 158 F CB 0.448 39.395 39.000 -0.089 0.000 1.215 158 F HN -0.148 nan 8.300 nan 0.000 0.570 159 R N 1.960 122.514 120.500 0.090 0.000 2.449 159 R HA 0.113 4.454 4.340 0.001 0.000 0.296 159 R C -0.474 175.922 176.300 0.159 0.000 1.047 159 R CA -0.122 55.951 56.100 -0.044 0.000 1.018 159 R CB -0.201 29.906 30.300 -0.322 0.000 0.962 159 R HN 0.757 nan 8.270 nan 0.000 0.428 160 N N 0.730 119.502 118.700 0.119 0.000 2.508 160 N HA 0.018 4.758 4.740 0.001 0.000 0.264 160 N C 0.907 176.635 175.510 0.364 0.000 1.216 160 N CA -0.186 53.025 53.050 0.267 0.000 0.943 160 N CB 1.128 39.755 38.487 0.234 0.000 1.113 160 N HN 0.628 nan 8.380 nan 0.000 0.447 161 A N 2.188 125.263 122.820 0.424 0.000 1.933 161 A HA -0.138 4.183 4.320 0.001 0.000 0.218 161 A C 0.339 178.225 177.584 0.503 0.000 1.175 161 A CA 1.072 53.391 52.037 0.470 0.000 0.628 161 A CB -0.288 19.035 19.000 0.538 0.000 0.814 161 A HN 0.807 nan 8.150 nan 0.000 0.444 162 W N 0.964 122.409 121.300 0.243 0.000 2.475 162 W HA 0.511 5.171 4.660 0.001 0.000 0.317 162 W C -0.025 176.537 176.519 0.072 0.000 1.046 162 W CA 0.137 57.558 57.345 0.127 0.000 1.215 162 W CB 1.318 30.811 29.460 0.056 0.000 1.335 162 W HN 0.218 nan 8.180 nan 0.000 0.471 163 T N 1.622 115.735 114.554 -0.736 0.000 2.887 163 T HA 0.628 4.978 4.350 0.001 0.000 0.292 163 T C 0.723 174.466 174.700 -1.596 0.000 1.087 163 T CA -0.197 61.324 62.100 -0.965 0.000 1.009 163 T CB 1.467 70.119 68.868 -0.360 0.000 1.203 163 T HN 0.597 nan 8.240 nan 0.000 0.518 164 A N 0.520 122.677 122.820 -1.106 0.000 1.933 164 A HA 0.000 4.321 4.320 0.001 0.000 0.218 164 A C 1.788 179.118 177.584 -0.424 0.000 1.175 164 A CA 1.287 52.911 52.037 -0.688 0.000 0.628 164 A CB -0.678 18.152 19.000 -0.284 0.000 0.814 164 A HN 0.905 nan 8.150 nan 0.000 0.444 165 E N -0.686 119.315 120.200 -0.332 0.000 2.465 165 E HA 0.381 4.731 4.350 0.001 0.000 0.195 165 E C 0.392 176.874 176.600 -0.197 0.000 1.028 165 E CA 0.451 56.731 56.400 -0.200 0.000 0.899 165 E CB 0.093 29.722 29.700 -0.118 0.000 1.032 165 E HN 0.487 nan 8.360 nan 0.000 0.468 166 G N 1.220 109.837 108.800 -0.305 0.000 2.219 166 G HA2 0.046 4.006 3.960 0.001 0.000 0.304 166 G HA3 0.046 4.006 3.960 0.001 0.000 0.304 166 G C -1.816 172.773 174.900 -0.518 0.000 1.712 166 G CA -0.926 43.962 45.100 -0.354 0.000 0.905 166 G HN 0.132 nan 8.290 nan 0.000 0.706 167 H N 0.954 119.716 119.070 -0.512 0.000 2.646 167 H HA 0.574 5.130 4.556 0.001 0.000 0.325 167 H C -0.284 174.741 175.328 -0.505 0.000 1.075 167 H CA -0.220 55.617 56.048 -0.351 0.000 1.421 167 H CB 0.722 30.409 29.762 -0.127 0.000 1.461 167 H HN 0.563 nan 8.280 nan 0.000 0.525 168 H N 5.653 124.779 119.070 0.093 0.000 2.429 168 H HA 0.230 4.787 4.556 0.001 0.000 0.231 168 H C -2.341 172.954 175.328 -0.056 0.000 1.416 168 H CA -1.565 54.466 56.048 -0.028 0.000 1.443 168 H CB 0.544 30.315 29.762 0.015 0.000 1.591 168 H HN 0.562 nan 8.280 nan 0.000 0.507 169 P HA -0.066 nan 4.420 nan 0.000 0.274 169 P C 0.240 177.404 177.300 -0.227 0.000 1.260 169 P CA -0.509 62.489 63.100 -0.169 0.000 0.793 169 P CB 1.035 32.550 31.700 -0.309 0.000 1.048 170 F N 2.514 122.078 119.950 -0.644 0.000 2.623 170 F HA 0.089 4.616 4.527 0.001 0.000 0.383 170 F C -1.473 174.054 175.800 -0.455 0.000 1.077 170 F CA -0.872 56.674 58.000 -0.757 0.000 1.268 170 F CB 0.022 38.357 39.000 -1.108 0.000 1.053 170 F HN 0.210 nan 8.300 nan 0.000 0.571 171 P HA 0.176 nan 4.420 nan 0.000 0.285 171 P C 0.192 177.166 177.300 -0.544 0.000 1.758 171 P CA -0.048 62.304 63.100 -1.247 0.000 1.278 171 P CB 0.686 31.522 31.700 -1.440 0.000 1.620 172 S N 0.619 116.144 115.700 -0.292 0.000 2.359 172 S HA -0.102 4.369 4.470 0.001 0.000 0.224 172 S C 2.201 176.747 174.600 -0.089 0.000 1.035 172 S CA 1.933 60.045 58.200 -0.146 0.000 1.018 172 S CB -0.936 62.236 63.200 -0.046 0.000 0.876 172 S HN 0.416 nan 8.310 nan 0.000 0.448 173 G N 1.830 110.623 108.800 -0.013 0.000 2.418 173 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 173 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 173 G C 1.593 176.414 174.900 -0.132 0.000 1.158 173 G CA 1.201 46.309 45.100 0.014 0.000 0.771 173 G HN 0.512 nan 8.290 nan 0.000 0.545 174 V N -0.776 119.055 119.914 -0.139 0.000 2.407 174 V HA -0.116 4.004 4.120 0.001 0.000 0.248 174 V C 2.468 178.487 176.094 -0.125 0.000 1.055 174 V CA 1.945 64.160 62.300 -0.141 0.000 1.049 174 V CB -0.642 31.130 31.823 -0.086 0.000 0.662 174 V HN 0.237 nan 8.190 nan 0.000 0.455 175 E N 0.758 120.868 120.200 -0.150 0.000 2.085 175 E HA -0.230 4.121 4.350 0.001 0.000 0.194 175 E C 2.057 178.620 176.600 -0.061 0.000 0.994 175 E CA 1.750 58.087 56.400 -0.105 0.000 0.801 175 E CB -0.443 29.180 29.700 -0.128 0.000 0.743 175 E HN 0.658 nan 8.360 nan 0.000 0.453 176 D N 0.398 120.767 120.400 -0.051 0.000 2.123 176 D HA -0.132 4.509 4.640 0.001 0.000 0.196 176 D C 2.145 178.448 176.300 0.006 0.000 0.992 176 D CA 0.870 54.866 54.000 -0.007 0.000 0.833 176 D CB -0.499 40.328 40.800 0.046 0.000 0.954 176 D HN 0.190 nan 8.370 nan 0.000 0.455 177 C N 1.004 120.282 119.300 -0.036 0.000 2.432 177 C HA -0.063 4.398 4.460 0.001 0.000 0.277 177 C C 2.696 177.685 174.990 -0.002 0.000 1.249 177 C CA -0.095 58.899 59.018 -0.040 0.000 1.725 177 C CB -0.927 26.716 27.740 -0.162 0.000 2.028 177 C HN 0.390 nan 8.230 nan 0.000 0.477 178 L N 1.785 123.001 121.223 -0.012 0.000 1.990 178 L HA -0.193 4.148 4.340 0.001 0.000 0.213 178 L C 2.759 179.658 176.870 0.047 0.000 1.072 178 L CA 2.670 57.521 54.840 0.018 0.000 0.755 178 L CB -1.434 40.627 42.059 0.003 0.000 0.889 178 L HN 0.355 nan 8.230 nan 0.000 0.432 179 A N -0.060 122.782 122.820 0.037 0.000 1.903 179 A HA -0.287 4.033 4.320 0.001 0.000 0.219 179 A C 2.472 180.127 177.584 0.119 0.000 1.191 179 A CA 2.651 54.728 52.037 0.067 0.000 0.638 179 A CB -1.036 17.982 19.000 0.030 0.000 0.823 179 A HN 0.627 nan 8.150 nan 0.000 0.451 180 A N -1.014 121.861 122.820 0.092 0.000 1.902 180 A HA 0.034 4.354 4.320 0.001 0.000 0.217 180 A C 2.263 179.974 177.584 0.213 0.000 1.181 180 A CA 1.762 53.878 52.037 0.132 0.000 0.623 180 A CB -0.935 18.113 19.000 0.081 0.000 0.818 180 A HN 0.430 nan 8.150 nan 0.000 0.443 181 V N 0.294 120.298 119.914 0.150 0.000 2.295 181 V HA -0.268 3.852 4.120 0.001 0.000 0.246 181 V C 2.585 178.775 176.094 0.159 0.000 1.049 181 V CA 2.028 64.415 62.300 0.145 0.000 1.024 181 V CB -0.745 31.137 31.823 0.097 0.000 0.648 181 V HN 0.584 nan 8.190 nan 0.000 0.447 182 L N -1.708 119.605 121.223 0.150 0.000 2.046 182 L HA -0.231 4.110 4.340 0.001 0.000 0.208 182 L C 2.315 179.301 176.870 0.194 0.000 1.077 182 L CA 2.175 57.097 54.840 0.137 0.000 0.747 182 L CB -0.613 41.515 42.059 0.115 0.000 0.896 182 L HN 0.512 nan 8.230 nan 0.000 0.432 183 W N 0.499 121.854 121.300 0.092 0.000 2.335 183 W HA -0.213 4.448 4.660 0.001 0.000 0.311 183 W C 2.343 179.010 176.519 0.247 0.000 1.213 183 W CA 1.803 59.246 57.345 0.163 0.000 1.274 183 W CB -0.197 29.306 29.460 0.072 0.000 1.148 183 W HN -0.199 nan 8.180 nan 0.000 0.498 184 V N 0.515 120.672 119.914 0.405 0.000 2.343 184 V HA -0.323 3.798 4.120 0.001 0.000 0.247 184 V C 1.924 178.048 176.094 0.050 0.000 1.051 184 V CA 2.401 64.839 62.300 0.230 0.000 1.036 184 V CB -1.175 30.814 31.823 0.276 0.000 0.654 184 V HN 0.189 nan 8.190 nan 0.000 0.451 185 D N 0.377 120.809 120.400 0.055 0.000 2.123 185 D HA -0.218 4.423 4.640 0.001 0.000 0.196 185 D C 2.066 178.313 176.300 -0.088 0.000 0.992 185 D CA 1.688 55.687 54.000 -0.002 0.000 0.833 185 D CB -0.100 40.712 40.800 0.019 0.000 0.954 185 D HN 0.603 nan 8.370 nan 0.000 0.455 186 E N -1.461 118.653 120.200 -0.144 0.000 2.204 186 E HA -0.138 4.213 4.350 0.001 0.000 0.194 186 E C 0.892 177.153 176.600 -0.564 0.000 0.989 186 E CA 0.872 57.071 56.400 -0.335 0.000 0.824 186 E CB -0.073 29.384 29.700 -0.406 0.000 0.756 186 E HN 0.544 nan 8.360 nan 0.000 0.477 187 H N -0.575 118.239 119.070 -0.427 0.000 2.487 187 H HA 0.275 4.831 4.556 0.001 0.000 0.290 187 H C 0.986 176.170 175.328 -0.239 0.000 1.081 187 H CA -0.323 55.459 56.048 -0.444 0.000 1.116 187 H CB 0.334 29.574 29.762 -0.871 0.000 1.560 187 H HN -0.004 nan 8.280 nan 0.000 0.548 188 R N 0.506 120.946 120.500 -0.101 0.000 2.112 188 R HA -0.215 4.125 4.340 0.001 0.000 0.242 188 R C 1.486 177.760 176.300 -0.043 0.000 1.137 188 R CA 1.918 57.988 56.100 -0.050 0.000 0.944 188 R CB -0.011 30.261 30.300 -0.046 0.000 0.857 188 R HN 0.337 nan 8.270 nan 0.000 0.435 189 E N 0.064 120.224 120.200 -0.066 0.000 2.051 189 E HA -0.174 4.177 4.350 0.001 0.000 0.192 189 E C 2.151 178.734 176.600 -0.027 0.000 0.991 189 E CA 1.915 58.286 56.400 -0.047 0.000 0.799 189 E CB -0.061 29.603 29.700 -0.061 0.000 0.748 189 E HN 0.371 nan 8.360 nan 0.000 0.449 190 S N -0.122 115.562 115.700 -0.026 0.000 2.406 190 S HA -0.045 4.425 4.470 0.001 0.000 0.228 190 S C 1.944 176.560 174.600 0.026 0.000 1.020 190 S CA 0.557 58.762 58.200 0.009 0.000 0.965 190 S CB -0.240 62.984 63.200 0.039 0.000 0.798 190 S HN 0.185 nan 8.310 nan 0.000 0.488 191 L N 1.024 122.262 121.223 0.026 0.000 2.313 191 L HA 0.213 4.554 4.340 0.001 0.000 0.214 191 L C 1.617 178.508 176.870 0.035 0.000 1.119 191 L CA 0.529 55.397 54.840 0.047 0.000 0.809 191 L CB -0.857 41.241 42.059 0.065 0.000 0.933 191 L HN 0.652 nan 8.230 nan 0.000 0.449 192 G N 1.193 110.003 108.800 0.018 0.000 2.341 192 G HA2 -0.239 3.721 3.960 0.001 0.000 0.278 192 G HA3 -0.239 3.721 3.960 0.001 0.000 0.278 192 G C -0.326 174.581 174.900 0.013 0.000 1.111 192 G CA -0.259 44.849 45.100 0.012 0.000 0.982 192 G HN 0.202 nan 8.290 nan 0.000 0.502 193 L N 0.024 121.253 121.223 0.009 0.000 2.334 193 L HA 0.646 4.986 4.340 0.001 0.000 0.276 193 L C 1.445 178.314 176.870 -0.002 0.000 1.014 193 L CA -0.347 54.499 54.840 0.010 0.000 0.815 193 L CB 1.936 44.007 42.059 0.021 0.000 1.268 193 L HN 0.315 nan 8.230 nan 0.000 0.428 194 S N -0.383 115.315 115.700 -0.005 0.000 2.524 194 S HA 0.409 4.879 4.470 0.001 0.000 0.215 194 S C 0.531 175.120 174.600 -0.017 0.000 0.986 194 S CA 0.083 58.275 58.200 -0.013 0.000 0.911 194 S CB 0.538 63.729 63.200 -0.015 0.000 0.805 194 S HN 0.831 nan 8.310 nan 0.000 0.501 195 G N -0.009 108.784 108.800 -0.012 0.000 2.646 195 G HA2 0.539 4.499 3.960 0.001 0.000 0.291 195 G HA3 0.539 4.499 3.960 0.001 0.000 0.291 195 G C -2.053 172.848 174.900 0.002 0.000 1.445 195 G CA -0.592 44.498 45.100 -0.018 0.000 0.814 195 G HN 0.250 nan 8.290 nan 0.000 0.495 196 V N 0.674 120.593 119.914 0.007 0.000 2.447 196 V HA 0.533 4.654 4.120 0.001 0.000 0.292 196 V C -0.367 175.750 176.094 0.038 0.000 1.021 196 V CA -0.615 61.707 62.300 0.036 0.000 0.850 196 V CB 1.320 33.172 31.823 0.049 0.000 1.005 196 V HN 0.636 nan 8.190 nan 0.000 0.426 197 V N 5.574 125.524 119.914 0.060 0.000 2.513 197 V HA 0.508 4.629 4.120 0.001 0.000 0.299 197 V C -0.118 176.057 176.094 0.136 0.000 1.035 197 V CA -0.673 61.688 62.300 0.102 0.000 0.889 197 V CB 2.287 34.191 31.823 0.136 0.000 0.988 197 V HN 0.577 nan 8.190 nan 0.000 0.440 198 V N 4.815 124.807 119.914 0.130 0.000 2.407 198 V HA 0.472 4.593 4.120 0.001 0.000 0.278 198 V C -0.025 176.172 176.094 0.171 0.000 1.037 198 V CA -0.295 62.083 62.300 0.130 0.000 0.900 198 V CB 1.293 33.164 31.823 0.079 0.000 0.983 198 V HN 0.884 nan 8.190 nan 0.000 0.459 199 Q N 2.507 122.445 119.800 0.229 0.000 2.423 199 Q HA 0.805 5.146 4.340 0.001 0.000 0.278 199 Q C -0.528 175.663 176.000 0.318 0.000 1.097 199 Q CA -0.325 55.653 55.803 0.291 0.000 0.809 199 Q CB 2.812 31.748 28.738 0.330 0.000 1.391 199 Q HN 0.930 nan 8.270 nan 0.000 0.428 200 G N 1.610 110.577 108.800 0.277 0.000 2.506 200 G HA2 0.395 4.355 3.960 0.001 0.000 0.292 200 G HA3 0.395 4.355 3.960 0.001 0.000 0.292 200 G C -1.765 173.225 174.900 0.150 0.000 1.425 200 G CA -0.579 44.658 45.100 0.228 0.000 0.788 200 G HN 0.543 nan 8.290 nan 0.000 0.490 201 E N -0.045 120.208 120.200 0.089 0.000 2.238 201 E HA 0.741 5.092 4.350 0.001 0.000 0.267 201 E C 0.475 177.090 176.600 0.026 0.000 0.887 201 E CA 0.119 56.532 56.400 0.022 0.000 0.769 201 E CB 1.579 31.226 29.700 -0.089 0.000 1.187 201 E HN 1.360 nan 8.360 nan 0.000 0.416 202 S N 2.190 117.928 115.700 0.063 0.000 4.140 202 S HA -0.293 4.177 4.470 0.001 0.000 0.618 202 S C 1.444 176.093 174.600 0.081 0.000 1.896 202 S CA 2.310 60.589 58.200 0.133 0.000 4.240 202 S CB -1.857 61.436 63.200 0.155 0.000 0.208 202 S HN 1.122 nan 8.310 nan 0.000 0.487 203 G N 0.952 109.709 108.800 -0.072 0.000 2.475 203 G HA2 0.020 3.980 3.960 0.001 0.000 0.220 203 G HA3 0.020 3.980 3.960 0.001 0.000 0.220 203 G C 1.543 176.385 174.900 -0.096 0.000 1.125 203 G CA 1.380 46.434 45.100 -0.077 0.000 0.755 203 G HN 1.373 nan 8.290 nan 0.000 0.565 204 G N 0.632 109.377 108.800 -0.091 0.000 2.408 204 G HA2 0.105 4.066 3.960 0.001 0.000 0.217 204 G HA3 0.105 4.066 3.960 0.001 0.000 0.217 204 G C 1.724 176.582 174.900 -0.069 0.000 1.150 204 G CA 1.272 46.287 45.100 -0.142 0.000 0.776 204 G HN 0.556 nan 8.290 nan 0.000 0.542 205 G N 1.037 109.840 108.800 0.006 0.000 2.421 205 G HA2 -0.298 3.662 3.960 0.001 0.000 0.216 205 G HA3 -0.298 3.662 3.960 0.001 0.000 0.216 205 G C 1.722 176.626 174.900 0.006 0.000 1.171 205 G CA 1.143 46.268 45.100 0.042 0.000 0.775 205 G HN 0.434 nan 8.290 nan 0.000 0.543 206 N N 0.853 119.554 118.700 0.003 0.000 2.036 206 N HA -0.157 4.584 4.740 0.001 0.000 0.199 206 N C 2.344 177.802 175.510 -0.086 0.000 1.036 206 N CA 1.746 54.771 53.050 -0.043 0.000 0.870 206 N CB -0.466 38.000 38.487 -0.034 0.000 1.055 206 N HN 0.352 nan 8.380 nan 0.000 0.436 207 L N 0.533 121.667 121.223 -0.148 0.000 2.141 207 L HA -0.090 4.251 4.340 0.001 0.000 0.209 207 L C 2.671 179.473 176.870 -0.113 0.000 1.094 207 L CA 1.130 55.852 54.840 -0.196 0.000 0.763 207 L CB -0.449 41.355 42.059 -0.424 0.000 0.908 207 L HN 0.195 nan 8.230 nan 0.000 0.437 208 A N 0.396 123.176 122.820 -0.066 0.000 1.902 208 A HA -0.177 4.143 4.320 0.001 0.000 0.217 208 A C 2.203 179.818 177.584 0.051 0.000 1.181 208 A CA 1.641 53.677 52.037 -0.002 0.000 0.623 208 A CB -0.609 18.411 19.000 0.033 0.000 0.818 208 A HN 0.367 nan 8.150 nan 0.000 0.443 209 I N -0.501 120.118 120.570 0.082 0.000 2.286 209 I HA -0.180 3.991 4.170 0.001 0.000 0.245 209 I C 2.924 179.126 176.117 0.142 0.000 1.104 209 I CA 0.934 62.347 61.300 0.189 0.000 1.397 209 I CB -0.314 37.746 38.000 0.100 0.000 1.072 209 I HN 0.323 nan 8.210 nan 0.000 0.417 210 A N 0.466 123.322 122.820 0.060 0.000 1.898 210 A HA -0.179 4.142 4.320 0.001 0.000 0.216 210 A C 2.382 180.008 177.584 0.070 0.000 1.181 210 A CA 2.281 54.360 52.037 0.069 0.000 0.620 210 A CB -1.108 17.919 19.000 0.045 0.000 0.819 210 A HN 0.365 nan 8.150 nan 0.000 0.442 211 T N 0.110 114.685 114.554 0.036 0.000 2.699 211 T HA -0.155 4.195 4.350 0.001 0.000 0.268 211 T C 1.970 176.712 174.700 0.071 0.000 1.036 211 T CA 2.097 64.216 62.100 0.032 0.000 1.147 211 T CB -0.592 68.278 68.868 0.004 0.000 0.862 211 T HN 0.582 nan 8.240 nan 0.000 0.446 212 T N 2.190 116.808 114.554 0.107 0.000 2.821 212 T HA 0.084 4.435 4.350 0.001 0.000 0.267 212 T C 1.986 176.778 174.700 0.153 0.000 1.046 212 T CA 0.782 62.969 62.100 0.145 0.000 1.139 212 T CB -0.367 68.631 68.868 0.216 0.000 0.871 212 T HN 0.270 nan 8.240 nan 0.000 0.454 213 L N 0.328 121.647 121.223 0.160 0.000 2.093 213 L HA 0.032 4.373 4.340 0.001 0.000 0.208 213 L C 2.528 179.464 176.870 0.109 0.000 1.085 213 L CA 0.857 55.785 54.840 0.146 0.000 0.755 213 L CB -0.483 41.669 42.059 0.156 0.000 0.904 213 L HN 0.240 nan 8.230 nan 0.000 0.435 214 L N -0.306 120.973 121.223 0.093 0.000 2.056 214 L HA -0.175 4.166 4.340 0.001 0.000 0.207 214 L C 2.822 179.728 176.870 0.060 0.000 1.078 214 L CA 1.393 56.274 54.840 0.068 0.000 0.749 214 L CB -0.462 41.624 42.059 0.045 0.000 0.901 214 L HN 0.260 nan 8.230 nan 0.000 0.433 215 A N 0.053 122.911 122.820 0.064 0.000 1.908 215 A HA -0.304 4.017 4.320 0.001 0.000 0.218 215 A C 2.330 179.952 177.584 0.063 0.000 1.181 215 A CA 2.181 54.255 52.037 0.060 0.000 0.627 215 A CB -0.497 18.542 19.000 0.066 0.000 0.818 215 A HN 0.388 nan 8.150 nan 0.000 0.445 216 K N -0.510 119.936 120.400 0.076 0.000 2.057 216 K HA -0.149 4.172 4.320 0.001 0.000 0.207 216 K C 2.270 178.905 176.600 0.059 0.000 1.049 216 K CA 1.439 57.769 56.287 0.072 0.000 0.931 216 K CB -0.178 32.373 32.500 0.085 0.000 0.714 216 K HN 0.447 nan 8.250 nan 0.000 0.440 217 R N -0.007 120.529 120.500 0.061 0.000 2.120 217 R HA -0.046 4.295 4.340 0.001 0.000 0.234 217 R C 1.821 178.146 176.300 0.042 0.000 1.123 217 R CA 1.245 57.376 56.100 0.053 0.000 0.975 217 R CB -0.048 30.287 30.300 0.058 0.000 0.866 217 R HN 0.170 nan 8.270 nan 0.000 0.446 218 R N -0.275 120.249 120.500 0.040 0.000 2.356 218 R HA 0.109 4.450 4.340 0.001 0.000 0.234 218 R C 0.639 176.958 176.300 0.030 0.000 0.929 218 R CA 0.531 56.650 56.100 0.032 0.000 1.084 218 R CB 0.827 31.145 30.300 0.028 0.000 1.105 218 R HN 0.364 nan 8.270 nan 0.000 0.515 219 G N 1.894 110.714 108.800 0.034 0.000 2.147 219 G HA2 -0.317 3.644 3.960 0.001 0.000 0.244 219 G HA3 -0.317 3.644 3.960 0.001 0.000 0.244 219 G C 0.419 175.338 174.900 0.030 0.000 1.005 219 G CA 0.007 45.126 45.100 0.030 0.000 0.713 219 G HN 0.354 nan 8.290 nan 0.000 0.515 220 R N -0.428 120.094 120.500 0.036 0.000 2.776 220 R HA 0.391 4.732 4.340 0.001 0.000 0.391 220 R C 1.833 178.159 176.300 0.044 0.000 1.116 220 R CA -0.556 55.565 56.100 0.035 0.000 1.056 220 R CB -0.086 30.234 30.300 0.033 0.000 1.369 220 R HN 0.374 nan 8.270 nan 0.000 0.590 221 L N 1.399 122.651 121.223 0.049 0.000 2.191 221 L HA -0.198 4.143 4.340 0.001 0.000 0.212 221 L C 1.688 178.590 176.870 0.052 0.000 1.103 221 L CA 1.700 56.576 54.840 0.060 0.000 0.769 221 L CB -0.107 41.992 42.059 0.066 0.000 0.908 221 L HN 0.447 nan 8.230 nan 0.000 0.438 222 D N -0.354 120.069 120.400 0.038 0.000 2.351 222 D HA -0.184 4.456 4.640 0.001 0.000 0.216 222 D C 1.713 178.029 176.300 0.026 0.000 0.968 222 D CA 0.995 55.012 54.000 0.029 0.000 0.899 222 D CB 0.151 40.962 40.800 0.018 0.000 0.907 222 D HN 0.340 nan 8.370 nan 0.000 0.514 223 A N 0.527 123.367 122.820 0.033 0.000 2.066 223 A HA 0.125 4.445 4.320 0.001 0.000 0.218 223 A C 1.408 179.017 177.584 0.041 0.000 1.157 223 A CA 0.268 52.325 52.037 0.034 0.000 0.670 223 A CB -0.160 18.866 19.000 0.045 0.000 0.804 223 A HN 0.269 nan 8.150 nan 0.000 0.453 224 I N 0.107 120.705 120.570 0.047 0.000 2.382 224 I HA 0.210 4.380 4.170 0.001 0.000 0.286 224 I C -0.384 175.758 176.117 0.042 0.000 1.002 224 I CA -0.473 60.857 61.300 0.050 0.000 1.135 224 I CB 1.891 39.929 38.000 0.064 0.000 1.288 224 I HN 0.041 nan 8.210 nan 0.000 0.448 225 D N 4.897 125.310 120.400 0.023 0.000 2.349 225 D HA 0.202 4.843 4.640 0.001 0.000 0.215 225 D C 0.745 177.038 176.300 -0.011 0.000 1.016 225 D CA 0.521 54.520 54.000 -0.002 0.000 0.870 225 D CB 0.942 41.723 40.800 -0.033 0.000 0.917 225 D HN 0.747 nan 8.370 nan 0.000 0.524 226 G N -0.601 108.213 108.800 0.024 0.000 2.361 226 G HA2 0.342 4.303 3.960 0.001 0.000 0.299 226 G HA3 0.342 4.303 3.960 0.001 0.000 0.299 226 G C -1.862 173.106 174.900 0.113 0.000 1.544 226 G CA -0.659 44.493 45.100 0.085 0.000 0.860 226 G HN -0.057 nan 8.290 nan 0.000 0.610 227 V N 0.698 120.611 119.914 -0.001 0.000 2.638 227 V HA 0.588 4.709 4.120 0.001 0.000 0.306 227 V C -1.413 174.541 176.094 -0.232 0.000 1.052 227 V CA -0.769 61.355 62.300 -0.293 0.000 0.885 227 V CB 1.927 33.141 31.823 -1.016 0.000 0.999 227 V HN 0.790 nan 8.190 nan 0.000 0.424 228 Y N 3.937 124.156 120.300 -0.135 0.000 2.464 228 Y HA 0.717 5.267 4.550 0.001 0.000 0.326 228 Y C 0.254 176.125 175.900 -0.049 0.000 0.969 228 Y CA -0.868 57.119 58.100 -0.187 0.000 1.270 228 Y CB 1.278 39.698 38.460 -0.067 0.000 1.103 228 Y HN 0.709 nan 8.280 nan 0.000 0.491 229 A N 4.377 127.221 122.820 0.039 0.000 2.294 229 A HA 0.607 4.927 4.320 0.001 0.000 0.316 229 A C -0.375 177.309 177.584 0.166 0.000 1.359 229 A CA -0.444 51.681 52.037 0.146 0.000 0.956 229 A CB -0.003 19.108 19.000 0.184 0.000 1.155 229 A HN 0.611 nan 8.150 nan 0.000 0.544 230 S N 2.162 118.001 115.700 0.230 0.000 2.554 230 S HA 0.433 4.904 4.470 0.001 0.000 0.278 230 S C 0.894 175.553 174.600 0.098 0.000 1.242 230 S CA -0.117 58.190 58.200 0.178 0.000 1.051 230 S CB 0.512 63.794 63.200 0.136 0.000 0.986 230 S HN 1.427 nan 8.310 nan 0.000 0.502 231 I N -1.320 119.300 120.570 0.084 0.000 3.121 231 I HA -0.142 4.028 4.170 0.001 0.000 0.126 231 I C -2.636 173.574 176.117 0.155 0.000 0.937 231 I CA -0.702 60.656 61.300 0.097 0.000 2.771 231 I CB -1.824 36.180 38.000 0.008 0.000 0.913 231 I HN 0.256 nan 8.210 nan 0.000 0.349 232 P HA -0.005 nan 4.420 nan 0.000 0.269 232 P C -0.805 176.615 177.300 0.201 0.000 1.209 232 P CA 0.451 63.632 63.100 0.135 0.000 0.776 232 P CB 0.410 32.145 31.700 0.059 0.000 0.876 233 Y N 4.603 124.943 120.300 0.066 0.000 2.721 233 Y HA 0.446 4.996 4.550 0.001 0.000 0.328 233 Y C 0.590 176.625 175.900 0.226 0.000 1.003 233 Y CA -0.439 57.726 58.100 0.107 0.000 1.275 233 Y CB -0.146 38.347 38.460 0.055 0.000 1.097 233 Y HN 0.295 nan 8.280 nan 0.000 0.514 234 I N 0.360 120.976 120.570 0.077 0.000 4.442 234 I HA 0.222 4.393 4.170 0.001 0.000 0.331 234 I C 1.109 177.319 176.117 0.154 0.000 1.364 234 I CA 0.537 61.933 61.300 0.159 0.000 1.207 234 I CB 0.460 38.465 38.000 0.009 0.000 1.298 234 I HN 0.386 nan 8.210 nan 0.000 0.463 235 S N 1.063 116.625 115.700 -0.231 0.000 2.441 235 S HA 0.305 4.775 4.470 0.001 0.000 0.224 235 S C 1.844 175.919 174.600 -0.874 0.000 1.043 235 S CA 0.821 58.672 58.200 -0.582 0.000 0.948 235 S CB -0.211 62.325 63.200 -1.107 0.000 0.810 235 S HN 0.917 nan 8.310 nan 0.000 0.504 236 G N 0.846 108.713 108.800 -1.555 0.000 2.160 236 G HA2 -0.146 3.815 3.960 0.001 0.000 0.251 236 G HA3 -0.146 3.815 3.960 0.001 0.000 0.251 236 G C 0.603 174.357 174.900 -1.910 0.000 1.008 236 G CA 0.177 43.897 45.100 -2.300 0.000 0.724 236 G HN 1.241 nan 8.290 nan 0.000 0.514 237 G N -0.957 106.400 108.800 -2.406 0.000 3.523 237 G HA2 0.450 4.411 3.960 0.001 0.000 0.270 237 G HA3 0.450 4.411 3.960 0.001 0.000 0.270 237 G C 0.864 174.611 174.900 -1.921 0.000 1.134 237 G CA 0.533 44.017 45.100 -2.693 0.000 0.825 237 G HN 0.468 nan 8.290 nan 0.000 0.534 238 Y N 0.294 120.124 120.300 -0.783 0.000 2.519 238 Y HA 0.272 4.822 4.550 0.001 0.000 0.287 238 Y C 2.482 178.215 175.900 -0.279 0.000 1.128 238 Y CA 0.139 57.969 58.100 -0.450 0.000 1.282 238 Y CB 0.008 38.282 38.460 -0.310 0.000 1.027 238 Y HN 0.244 nan 8.280 nan 0.000 0.551 239 A N -1.155 121.533 122.820 -0.220 0.000 2.275 239 A HA 0.089 4.410 4.320 0.001 0.000 0.212 239 A C 0.050 177.674 177.584 0.065 0.000 1.201 239 A CA -0.409 51.602 52.037 -0.043 0.000 0.843 239 A CB -0.558 18.436 19.000 -0.010 0.000 0.873 239 A HN 0.255 nan 8.150 nan 0.000 0.492 240 W N 2.640 123.872 121.300 -0.112 0.000 2.187 240 W HA 0.161 4.822 4.660 0.001 0.000 0.348 240 W C 0.471 176.964 176.519 -0.043 0.000 1.282 240 W CA -1.051 56.241 57.345 -0.088 0.000 1.271 240 W CB 0.033 29.424 29.460 -0.116 0.000 1.170 240 W HN 0.501 nan 8.180 nan 0.000 0.583 241 D N -0.098 120.423 120.400 0.200 0.000 2.352 241 D HA -0.125 4.515 4.640 0.001 0.000 0.238 241 D C 0.981 177.371 176.300 0.150 0.000 1.286 241 D CA 0.018 54.101 54.000 0.138 0.000 0.923 241 D CB 0.574 41.428 40.800 0.090 0.000 1.146 241 D HN 0.589 nan 8.370 nan 0.000 0.471 242 H N -0.409 118.694 119.070 0.055 0.000 2.353 242 H HA -0.120 4.436 4.556 0.001 0.000 0.300 242 H C 1.837 177.192 175.328 0.046 0.000 1.090 242 H CA 2.067 58.142 56.048 0.046 0.000 1.327 242 H CB 0.255 30.033 29.762 0.028 0.000 1.383 242 H HN 0.473 nan 8.280 nan 0.000 0.508 243 E N 0.049 120.313 120.200 0.107 0.000 2.106 243 E HA -0.176 4.175 4.350 0.001 0.000 0.192 243 E C 2.382 178.973 176.600 -0.014 0.000 0.984 243 E CA 0.623 57.046 56.400 0.039 0.000 0.806 243 E CB -0.020 29.715 29.700 0.059 0.000 0.750 243 E HN 0.451 nan 8.360 nan 0.000 0.458 244 R N 0.685 121.185 120.500 0.000 0.000 2.073 244 R HA -0.078 4.262 4.340 0.001 0.000 0.229 244 R C 2.319 178.657 176.300 0.064 0.000 1.120 244 R CA 1.050 57.135 56.100 -0.025 0.000 0.967 244 R CB 0.076 30.306 30.300 -0.118 0.000 0.862 244 R HN -0.010 nan 8.270 nan 0.000 0.436 245 R N 0.353 120.915 120.500 0.104 0.000 2.073 245 R HA -0.097 4.244 4.340 0.001 0.000 0.234 245 R C 2.418 178.696 176.300 -0.037 0.000 1.134 245 R CA 1.441 57.590 56.100 0.082 0.000 0.952 245 R CB -0.497 29.816 30.300 0.022 0.000 0.850 245 R HN 0.249 nan 8.270 nan 0.000 0.433 246 L N 0.657 121.784 121.223 -0.161 0.000 2.021 246 L HA -0.262 4.078 4.340 0.001 0.000 0.215 246 L C 2.499 179.341 176.870 -0.047 0.000 1.074 246 L CA 2.330 57.081 54.840 -0.148 0.000 0.760 246 L CB -0.669 41.265 42.059 -0.208 0.000 0.889 246 L HN 0.492 nan 8.230 nan 0.000 0.433 247 T N -5.069 109.470 114.554 -0.025 0.000 3.009 247 T HA -0.121 4.229 4.350 0.001 0.000 0.258 247 T C 1.578 176.287 174.700 0.015 0.000 1.063 247 T CA 0.837 62.935 62.100 -0.005 0.000 1.139 247 T CB 0.257 69.118 68.868 -0.011 0.000 0.890 247 T HN 0.381 nan 8.240 nan 0.000 0.471 248 E N -0.520 119.703 120.200 0.039 0.000 2.206 248 E HA 0.228 4.578 4.350 0.001 0.000 0.195 248 E C -0.324 176.342 176.600 0.110 0.000 0.935 248 E CA -0.003 56.447 56.400 0.084 0.000 0.875 248 E CB 0.504 30.271 29.700 0.112 0.000 0.841 248 E HN 0.214 nan 8.360 nan 0.000 0.477 249 L N 1.629 122.909 121.223 0.095 0.000 2.529 249 L HA 0.323 4.664 4.340 0.001 0.000 0.246 249 L C -2.298 174.571 176.870 -0.001 0.000 1.394 249 L CA -1.893 52.968 54.840 0.035 0.000 0.906 249 L CB 1.467 43.512 42.059 -0.023 0.000 1.170 249 L HN -0.032 nan 8.230 nan 0.000 0.501 250 P HA -0.093 nan 4.420 nan 0.000 0.225 250 P C 1.500 178.784 177.300 -0.027 0.000 1.148 250 P CA 0.997 64.086 63.100 -0.017 0.000 0.779 250 P CB 0.332 32.034 31.700 0.003 0.000 0.780 251 S N -0.981 114.706 115.700 -0.020 0.000 2.447 251 S HA -0.061 4.409 4.470 0.001 0.000 0.233 251 S C 1.768 176.335 174.600 -0.056 0.000 1.006 251 S CA 0.726 58.908 58.200 -0.029 0.000 0.957 251 S CB -1.473 61.722 63.200 -0.008 0.000 0.773 251 S HN 0.124 nan 8.310 nan 0.000 0.507 252 L N 0.776 121.965 121.223 -0.057 0.000 2.376 252 L HA 0.056 4.397 4.340 0.001 0.000 0.219 252 L C 2.100 178.928 176.870 -0.070 0.000 1.133 252 L CA 0.391 55.194 54.840 -0.063 0.000 0.816 252 L CB -0.289 41.731 42.059 -0.066 0.000 0.933 252 L HN 0.291 nan 8.230 nan 0.000 0.449 253 V N -1.142 118.725 119.914 -0.079 0.000 2.581 253 V HA -0.114 4.006 4.120 0.001 0.000 0.240 253 V C 2.253 178.296 176.094 -0.085 0.000 1.054 253 V CA 0.863 63.120 62.300 -0.071 0.000 1.076 253 V CB 0.007 31.770 31.823 -0.100 0.000 0.748 253 V HN 0.339 nan 8.190 nan 0.000 0.474 254 E N 1.139 121.289 120.200 -0.084 0.000 2.068 254 E HA -0.284 4.066 4.350 0.001 0.000 0.207 254 E C 1.002 177.441 176.600 -0.268 0.000 1.032 254 E CA 1.958 58.297 56.400 -0.101 0.000 0.839 254 E CB -0.029 29.640 29.700 -0.050 0.000 0.758 254 E HN 0.539 nan 8.360 nan 0.000 0.457 255 N N 1.185 119.685 118.700 -0.333 0.000 2.275 255 N HA 0.030 4.770 4.740 0.001 0.000 0.236 255 N C -1.068 174.116 175.510 -0.544 0.000 1.154 255 N CA -0.034 52.600 53.050 -0.693 0.000 0.866 255 N CB 0.467 38.801 38.487 -0.255 0.000 1.093 255 N HN 0.124 nan 8.380 nan 0.000 0.515 256 D N -0.031 120.171 120.400 -0.329 0.000 2.383 256 D HA 0.339 4.979 4.640 0.001 0.000 0.252 256 D C 1.353 177.599 176.300 -0.091 0.000 1.166 256 D CA 0.988 54.896 54.000 -0.153 0.000 0.879 256 D CB 0.416 41.167 40.800 -0.082 0.000 1.164 256 D HN 0.380 nan 8.370 nan 0.000 0.462 257 G N 3.229 112.038 108.800 0.015 0.000 2.194 257 G HA2 -0.257 3.704 3.960 0.001 0.000 0.236 257 G HA3 -0.257 3.704 3.960 0.001 0.000 0.236 257 G C -0.054 175.034 174.900 0.313 0.000 0.987 257 G CA -0.098 45.075 45.100 0.120 0.000 0.635 257 G HN 0.450 nan 8.290 nan 0.000 0.520 258 Y N 0.521 120.902 120.300 0.134 0.000 2.620 258 Y HA 0.480 5.031 4.550 0.001 0.000 0.352 258 Y C 1.256 177.349 175.900 0.321 0.000 1.140 258 Y CA -0.824 57.414 58.100 0.231 0.000 1.529 258 Y CB -0.843 37.797 38.460 0.299 0.000 1.321 258 Y HN 0.486 nan 8.280 nan 0.000 0.501 259 F N 0.318 120.412 119.950 0.239 0.000 2.565 259 F HA -0.388 4.139 4.527 0.001 0.000 0.684 259 F C 0.147 176.066 175.800 0.198 0.000 0.487 259 F CA 1.405 59.530 58.000 0.209 0.000 0.725 259 F CB -1.171 37.989 39.000 0.266 0.000 1.613 259 F HN 0.277 nan 8.300 nan 0.000 0.264 260 I N -0.947 119.634 120.570 0.018 0.000 3.100 260 I HA 0.713 4.883 4.170 0.001 0.000 0.312 260 I C -0.183 175.897 176.117 -0.063 0.000 1.063 260 I CA -0.605 60.605 61.300 -0.150 0.000 1.031 260 I CB 1.776 39.578 38.000 -0.330 0.000 1.243 260 I HN 0.299 nan 8.210 nan 0.000 0.483 261 E N 1.821 121.959 120.200 -0.103 0.000 2.372 261 E HA 0.280 4.630 4.350 0.001 0.000 0.279 261 E C -0.949 175.598 176.600 -0.088 0.000 0.946 261 E CA -0.446 55.917 56.400 -0.063 0.000 0.769 261 E CB 2.168 31.857 29.700 -0.020 0.000 1.230 261 E HN 0.862 nan 8.360 nan 0.000 0.442 262 N N 1.263 119.928 118.700 -0.058 0.000 2.120 262 N HA -0.134 4.607 4.740 0.001 0.000 0.188 262 N C 1.652 177.160 175.510 -0.004 0.000 1.024 262 N CA 1.487 54.517 53.050 -0.033 0.000 0.852 262 N CB -0.098 38.395 38.487 0.010 0.000 1.003 262 N HN 0.601 nan 8.380 nan 0.000 0.424 263 G N 0.388 109.188 108.800 -0.001 0.000 2.529 263 G HA2 -0.283 3.677 3.960 0.001 0.000 0.219 263 G HA3 -0.283 3.677 3.960 0.001 0.000 0.219 263 G C 1.508 176.408 174.900 0.001 0.000 1.177 263 G CA 1.206 46.310 45.100 0.006 0.000 0.773 263 G HN 0.424 nan 8.290 nan 0.000 0.573 264 G N 0.131 108.920 108.800 -0.018 0.000 2.422 264 G HA2 -0.105 3.855 3.960 0.001 0.000 0.218 264 G HA3 -0.105 3.855 3.960 0.001 0.000 0.218 264 G C 1.896 176.777 174.900 -0.032 0.000 1.140 264 G CA 0.864 45.953 45.100 -0.019 0.000 0.775 264 G HN 0.419 nan 8.290 nan 0.000 0.545 265 M N 0.712 120.268 119.600 -0.073 0.000 2.175 265 M HA 0.036 4.516 4.480 0.001 0.000 0.264 265 M C 3.010 179.373 176.300 0.105 0.000 1.063 265 M CA 1.199 56.455 55.300 -0.075 0.000 1.119 265 M CB -0.133 32.252 32.600 -0.359 0.000 1.377 265 M HN 0.320 nan 8.290 nan 0.000 0.415 266 A N 0.581 123.467 122.820 0.111 0.000 1.972 266 A HA -0.111 4.209 4.320 0.001 0.000 0.219 266 A C 2.041 179.689 177.584 0.106 0.000 1.169 266 A CA 1.172 53.280 52.037 0.119 0.000 0.635 266 A CB -0.859 18.179 19.000 0.063 0.000 0.810 266 A HN 0.468 nan 8.150 nan 0.000 0.446 267 L N -0.697 120.572 121.223 0.076 0.000 2.042 267 L HA -0.204 4.136 4.340 0.001 0.000 0.210 267 L C 2.462 179.402 176.870 0.116 0.000 1.076 267 L CA 1.247 56.129 54.840 0.070 0.000 0.749 267 L CB -0.738 41.333 42.059 0.020 0.000 0.893 267 L HN 0.373 nan 8.230 nan 0.000 0.432 268 L N -1.015 120.288 121.223 0.134 0.000 2.141 268 L HA -0.145 4.195 4.340 0.001 0.000 0.209 268 L C 2.553 179.636 176.870 0.355 0.000 1.094 268 L CA 0.497 55.458 54.840 0.202 0.000 0.763 268 L CB -0.598 41.548 42.059 0.145 0.000 0.908 268 L HN 0.060 nan 8.230 nan 0.000 0.437 269 V N 0.131 120.271 119.914 0.377 0.000 2.295 269 V HA -0.288 3.833 4.120 0.001 0.000 0.246 269 V C 2.756 179.102 176.094 0.420 0.000 1.049 269 V CA 1.907 64.489 62.300 0.470 0.000 1.024 269 V CB -0.541 31.407 31.823 0.208 0.000 0.648 269 V HN 0.406 nan 8.190 nan 0.000 0.447 270 R N 0.918 121.585 120.500 0.278 0.000 2.083 270 R HA -0.130 4.211 4.340 0.001 0.000 0.237 270 R C 2.164 178.642 176.300 0.296 0.000 1.137 270 R CA 1.978 58.222 56.100 0.239 0.000 0.951 270 R CB -0.950 29.445 30.300 0.157 0.000 0.851 270 R HN 0.459 nan 8.270 nan 0.000 0.434 271 A N -1.009 121.998 122.820 0.312 0.000 1.972 271 A HA -0.178 4.142 4.320 0.001 0.000 0.219 271 A C 2.071 179.980 177.584 0.541 0.000 1.169 271 A CA 1.432 53.712 52.037 0.405 0.000 0.635 271 A CB -0.791 18.405 19.000 0.326 0.000 0.810 271 A HN 0.555 nan 8.150 nan 0.000 0.446 272 Y N -0.160 120.341 120.300 0.335 0.000 2.286 272 Y HA 0.079 4.629 4.550 0.001 0.000 0.293 272 Y C 0.179 176.224 175.900 0.241 0.000 1.124 272 Y CA 1.241 59.506 58.100 0.276 0.000 1.178 272 Y CB 0.298 38.903 38.460 0.242 0.000 1.010 272 Y HN 0.345 nan 8.280 nan 0.000 0.536 273 D N -0.550 120.053 120.400 0.338 0.000 2.468 273 D HA 0.236 4.877 4.640 0.001 0.000 0.272 273 D C -2.309 174.134 176.300 0.238 0.000 1.221 273 D CA -2.159 51.983 54.000 0.236 0.000 0.860 273 D CB 0.887 41.874 40.800 0.312 0.000 1.190 273 D HN -0.021 nan 8.370 nan 0.000 0.509 274 P HA -0.100 nan 4.420 nan 0.000 0.221 274 P C 1.401 178.792 177.300 0.153 0.000 1.150 274 P CA 1.123 64.349 63.100 0.211 0.000 0.800 274 P CB 0.069 31.923 31.700 0.257 0.000 0.787 275 T N -4.223 110.411 114.554 0.134 0.000 2.978 275 T HA 0.204 4.554 4.350 0.001 0.000 0.262 275 T C 1.627 176.375 174.700 0.081 0.000 1.063 275 T CA 1.243 63.399 62.100 0.092 0.000 1.140 275 T CB -1.025 67.884 68.868 0.069 0.000 0.886 275 T HN 0.227 nan 8.240 nan 0.000 0.470 276 G N 1.925 110.792 108.800 0.111 0.000 2.141 276 G HA2 -0.263 3.698 3.960 0.001 0.000 0.231 276 G HA3 -0.263 3.698 3.960 0.001 0.000 0.231 276 G C 0.535 175.452 174.900 0.029 0.000 0.984 276 G CA 0.465 45.617 45.100 0.088 0.000 0.660 276 G HN 0.783 nan 8.290 nan 0.000 0.525 277 E N -0.528 119.660 120.200 -0.019 0.000 2.502 277 E HA 0.092 4.443 4.350 0.001 0.000 0.194 277 E C 1.136 177.540 176.600 -0.328 0.000 1.062 277 E CA 0.615 56.914 56.400 -0.167 0.000 0.867 277 E CB -0.151 29.417 29.700 -0.220 0.000 0.888 277 E HN 0.664 nan 8.360 nan 0.000 0.510 278 H N -0.225 118.841 119.070 -0.007 0.000 2.592 278 H HA 0.382 4.938 4.556 0.001 0.000 0.279 278 H C 1.643 176.997 175.328 0.043 0.000 1.089 278 H CA 0.336 56.342 56.048 -0.070 0.000 1.150 278 H CB 0.998 30.589 29.762 -0.286 0.000 1.575 278 H HN 0.299 nan 8.280 nan 0.000 0.547 279 A N 0.731 123.614 122.820 0.105 0.000 1.978 279 A HA -0.155 4.165 4.320 0.001 0.000 0.220 279 A C 1.550 179.025 177.584 -0.181 0.000 1.170 279 A CA 1.511 53.574 52.037 0.044 0.000 0.636 279 A CB 0.040 19.001 19.000 -0.064 0.000 0.810 279 A HN 0.453 nan 8.150 nan 0.000 0.448 280 E N -0.440 119.580 120.200 -0.300 0.000 2.651 280 E HA 0.056 4.407 4.350 0.001 0.000 0.208 280 E C -0.943 175.554 176.600 -0.172 0.000 0.997 280 E CA -0.348 55.664 56.400 -0.646 0.000 1.020 280 E CB 0.309 29.599 29.700 -0.683 0.000 1.052 280 E HN 0.412 nan 8.360 nan 0.000 0.465 281 D N 1.918 122.323 120.400 0.008 0.000 2.317 281 D HA 0.043 4.683 4.640 0.001 0.000 0.252 281 D C -1.387 175.003 176.300 0.151 0.000 1.174 281 D CA -2.367 51.684 54.000 0.085 0.000 0.866 281 D CB 1.420 42.273 40.800 0.088 0.000 1.127 281 D HN -0.060 nan 8.370 nan 0.000 0.467 282 P HA -0.108 nan 4.420 nan 0.000 0.222 282 P C 1.560 178.950 177.300 0.150 0.000 1.147 282 P CA 0.456 63.690 63.100 0.223 0.000 0.790 282 P CB 0.493 32.317 31.700 0.206 0.000 0.780 283 I N -0.200 120.446 120.570 0.127 0.000 2.439 283 I HA -0.105 4.065 4.170 0.001 0.000 0.251 283 I C 2.375 178.525 176.117 0.055 0.000 1.139 283 I CA 1.127 62.521 61.300 0.156 0.000 1.438 283 I CB -1.720 36.456 38.000 0.293 0.000 1.085 283 I HN -0.069 nan 8.210 nan 0.000 0.427 284 A N -0.262 122.371 122.820 -0.312 0.000 1.878 284 A HA -0.070 4.250 4.320 0.001 0.000 0.213 284 A C 0.595 177.746 177.584 -0.721 0.000 1.192 284 A CA 0.510 52.096 52.037 -0.752 0.000 0.619 284 A CB -0.431 17.842 19.000 -1.211 0.000 0.837 284 A HN 0.486 nan 8.150 nan 0.000 0.446 285 W N -1.139 120.197 121.300 0.061 0.000 2.423 285 W HA 0.440 5.100 4.660 0.001 0.000 0.286 285 W C -2.518 174.125 176.519 0.208 0.000 1.001 285 W CA -1.790 55.635 57.345 0.134 0.000 1.643 285 W CB 0.899 30.501 29.460 0.238 0.000 1.593 285 W HN 0.138 nan 8.180 nan 0.000 0.403 286 P HA -0.247 nan 4.420 nan 0.000 0.234 286 P C 1.346 178.746 177.300 0.165 0.000 1.162 286 P CA 1.084 64.261 63.100 0.130 0.000 0.759 286 P CB -0.068 31.555 31.700 -0.129 0.000 0.813 287 Y N -0.575 119.752 120.300 0.044 0.000 2.333 287 Y HA -0.130 4.421 4.550 0.001 0.000 0.290 287 Y C 1.344 177.135 175.900 -0.183 0.000 1.144 287 Y CA 1.402 59.455 58.100 -0.079 0.000 1.228 287 Y CB -0.716 37.574 38.460 -0.283 0.000 0.985 287 Y HN -0.103 nan 8.280 nan 0.000 0.542 288 F N 0.171 120.223 119.950 0.170 0.000 2.765 288 F HA 0.383 4.911 4.527 0.001 0.000 0.302 288 F C 1.391 177.225 175.800 0.058 0.000 1.111 288 F CA 0.029 58.062 58.000 0.055 0.000 1.359 288 F CB -0.688 38.392 39.000 0.133 0.000 1.097 288 F HN -0.008 nan 8.300 nan 0.000 0.577 289 A N 0.934 123.887 122.820 0.222 0.000 2.546 289 A HA 0.318 4.639 4.320 0.001 0.000 0.243 289 A C 0.789 178.417 177.584 0.073 0.000 1.063 289 A CA 0.072 52.213 52.037 0.173 0.000 0.757 289 A CB -0.252 18.894 19.000 0.243 0.000 0.991 289 A HN 0.335 nan 8.150 nan 0.000 0.503 290 S N 1.921 117.654 115.700 0.054 0.000 2.645 290 S HA 0.230 4.700 4.470 0.001 0.000 0.266 290 S C 0.714 175.297 174.600 -0.028 0.000 1.258 290 S CA 0.042 58.244 58.200 0.003 0.000 0.990 290 S CB 0.676 63.885 63.200 0.015 0.000 0.967 290 S HN 0.705 nan 8.310 nan 0.000 0.556 291 E N 0.465 120.632 120.200 -0.054 0.000 2.110 291 E HA -0.170 4.181 4.350 0.001 0.000 0.193 291 E C 1.128 177.699 176.600 -0.047 0.000 0.988 291 E CA 1.352 57.708 56.400 -0.073 0.000 0.804 291 E CB -0.157 29.499 29.700 -0.074 0.000 0.745 291 E HN 0.624 nan 8.360 nan 0.000 0.458 292 D N 0.600 120.986 120.400 -0.023 0.000 2.178 292 D HA -0.135 4.506 4.640 0.001 0.000 0.202 292 D C 1.672 177.974 176.300 0.002 0.000 0.974 292 D CA 0.827 54.821 54.000 -0.010 0.000 0.841 292 D CB 0.011 40.811 40.800 -0.001 0.000 0.953 292 D HN 0.230 nan 8.370 nan 0.000 0.478 293 E N -0.014 120.193 120.200 0.012 0.000 2.106 293 E HA -0.065 4.286 4.350 0.001 0.000 0.192 293 E C 2.073 178.686 176.600 0.023 0.000 0.984 293 E CA 0.436 56.856 56.400 0.033 0.000 0.806 293 E CB 0.136 29.871 29.700 0.058 0.000 0.750 293 E HN 0.248 nan 8.360 nan 0.000 0.458 294 L N 0.086 121.298 121.223 -0.019 0.000 2.446 294 L HA 0.085 4.426 4.340 0.001 0.000 0.219 294 L C 1.059 177.895 176.870 -0.056 0.000 1.116 294 L CA -0.138 54.665 54.840 -0.062 0.000 0.844 294 L CB -0.022 41.927 42.059 -0.183 0.000 0.970 294 L HN -0.071 nan 8.230 nan 0.000 0.457 295 R N 0.511 120.989 120.500 -0.037 0.000 2.583 295 R HA 0.090 4.430 4.340 0.001 0.000 0.274 295 R C 1.230 177.534 176.300 0.007 0.000 0.998 295 R CA 1.192 57.280 56.100 -0.020 0.000 1.081 295 R CB 0.134 30.425 30.300 -0.014 0.000 0.940 295 R HN 0.316 nan 8.270 nan 0.000 0.413 296 G N 2.750 111.559 108.800 0.015 0.000 2.179 296 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 296 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 296 G C 0.237 175.178 174.900 0.067 0.000 0.977 296 G CA 0.026 45.148 45.100 0.037 0.000 0.641 296 G HN 0.462 nan 8.290 nan 0.000 0.533 297 L N 1.998 123.270 121.223 0.082 0.000 2.482 297 L HA 0.308 4.648 4.340 0.001 0.000 0.273 297 L C -0.659 176.326 176.870 0.192 0.000 1.228 297 L CA -1.386 53.554 54.840 0.166 0.000 0.827 297 L CB 0.051 42.228 42.059 0.197 0.000 1.099 297 L HN 0.094 nan 8.230 nan 0.000 0.494 298 P HA 0.275 nan 4.420 nan 0.000 0.277 298 P C -2.663 174.829 177.300 0.320 0.000 1.271 298 P CA -1.776 61.446 63.100 0.203 0.000 0.795 298 P CB -0.313 31.473 31.700 0.143 0.000 1.101 299 P HA 0.140 nan 4.420 nan 0.000 0.266 299 P C -0.818 176.762 177.300 0.466 0.000 1.195 299 P CA 0.797 64.105 63.100 0.346 0.000 0.768 299 P CB 0.071 31.941 31.700 0.283 0.000 0.838 300 F N 1.374 121.433 119.950 0.181 0.000 2.546 300 F HA 0.440 4.967 4.527 0.001 0.000 0.320 300 F C -0.197 175.464 175.800 -0.232 0.000 1.076 300 F CA -0.656 57.369 58.000 0.042 0.000 0.928 300 F CB 1.623 40.638 39.000 0.025 0.000 1.189 300 F HN -0.041 nan 8.300 nan 0.000 0.465 301 V N 3.760 123.347 119.914 -0.544 0.000 2.581 301 V HA 0.588 4.708 4.120 0.001 0.000 0.303 301 V C -0.841 174.993 176.094 -0.433 0.000 1.041 301 V CA -0.841 61.071 62.300 -0.647 0.000 0.907 301 V CB 1.919 32.881 31.823 -1.435 0.000 0.994 301 V HN 0.456 nan 8.190 nan 0.000 0.442 302 V N 3.602 123.392 119.914 -0.207 0.000 2.409 302 V HA 0.799 4.920 4.120 0.001 0.000 0.291 302 V C 0.145 176.189 176.094 -0.083 0.000 1.020 302 V CA -0.484 61.782 62.300 -0.057 0.000 0.848 302 V CB 1.574 33.464 31.823 0.111 0.000 0.990 302 V HN 0.989 nan 8.190 nan 0.000 0.430 303 A N 5.155 127.951 122.820 -0.039 0.000 2.318 303 A HA 0.916 5.237 4.320 0.001 0.000 0.317 303 A C -0.469 177.155 177.584 0.066 0.000 1.159 303 A CA -0.537 51.519 52.037 0.031 0.000 0.799 303 A CB 1.580 20.654 19.000 0.124 0.000 1.194 303 A HN 1.212 nan 8.150 nan 0.000 0.479 304 V N 0.130 120.080 119.914 0.061 0.000 3.103 304 V HA 0.751 4.871 4.120 0.001 0.000 0.318 304 V C -0.591 175.539 176.094 0.059 0.000 1.114 304 V CA -1.275 61.067 62.300 0.070 0.000 1.020 304 V CB 1.998 33.865 31.823 0.074 0.000 1.085 304 V HN 0.713 nan 8.190 nan 0.000 0.446 305 N N 0.686 119.427 118.700 0.068 0.000 2.370 305 N HA 0.371 5.112 4.740 0.001 0.000 0.303 305 N C 0.581 176.121 175.510 0.049 0.000 1.103 305 N CA -0.470 52.611 53.050 0.051 0.000 0.848 305 N CB 2.079 40.596 38.487 0.050 0.000 1.235 305 N HN 0.979 nan 8.380 nan 0.000 0.496 306 E N 1.315 121.527 120.200 0.020 0.000 2.110 306 E HA -0.050 4.300 4.350 0.001 0.000 0.193 306 E C 0.211 176.828 176.600 0.028 0.000 0.988 306 E CA 1.053 57.462 56.400 0.016 0.000 0.804 306 E CB 0.148 29.839 29.700 -0.015 0.000 0.745 306 E HN 0.489 nan 8.360 nan 0.000 0.458 307 L N 1.347 122.581 121.223 0.017 0.000 2.848 307 L HA 0.239 4.579 4.340 0.001 0.000 0.240 307 L C -0.014 176.968 176.870 0.187 0.000 1.232 307 L CA -0.474 54.414 54.840 0.080 0.000 1.031 307 L CB 0.325 42.301 42.059 -0.138 0.000 1.338 307 L HN -0.021 nan 8.230 nan 0.000 0.509 308 D N 1.022 121.505 120.400 0.139 0.000 2.193 308 D HA 0.215 4.855 4.640 0.001 0.000 0.244 308 D C -1.544 174.802 176.300 0.078 0.000 1.064 308 D CA -2.254 51.847 54.000 0.168 0.000 0.845 308 D CB 2.262 43.192 40.800 0.217 0.000 1.148 308 D HN -0.178 nan 8.370 nan 0.000 0.464 309 P HA -0.125 nan 4.420 nan 0.000 0.217 309 P C 1.504 178.789 177.300 -0.025 0.000 1.148 309 P CA 0.843 63.918 63.100 -0.041 0.000 0.828 309 P CB 0.363 32.011 31.700 -0.086 0.000 0.783 310 L N -0.916 120.304 121.223 -0.004 0.000 2.552 310 L HA 0.042 4.383 4.340 0.001 0.000 0.227 310 L C 2.969 179.869 176.870 0.049 0.000 1.146 310 L CA 0.321 55.176 54.840 0.025 0.000 0.858 310 L CB -0.706 41.397 42.059 0.072 0.000 0.969 310 L HN -0.060 nan 8.230 nan 0.000 0.451 311 R N 0.793 121.326 120.500 0.056 0.000 2.096 311 R HA -0.216 4.125 4.340 0.001 0.000 0.240 311 R C 1.537 177.867 176.300 0.050 0.000 1.139 311 R CA 2.191 58.328 56.100 0.062 0.000 0.952 311 R CB -0.075 30.258 30.300 0.055 0.000 0.854 311 R HN 0.300 nan 8.270 nan 0.000 0.436 312 D N 0.161 120.578 120.400 0.028 0.000 2.183 312 D HA -0.153 4.487 4.640 0.001 0.000 0.203 312 D C 1.822 178.146 176.300 0.040 0.000 0.969 312 D CA 1.451 55.470 54.000 0.032 0.000 0.842 312 D CB -0.142 40.670 40.800 0.020 0.000 0.957 312 D HN 0.608 nan 8.370 nan 0.000 0.484 313 E N 0.209 120.398 120.200 -0.019 0.000 2.152 313 E HA -0.072 4.279 4.350 0.001 0.000 0.192 313 E C 2.095 178.769 176.600 0.123 0.000 0.983 313 E CA 1.161 57.539 56.400 -0.036 0.000 0.818 313 E CB -0.461 29.067 29.700 -0.286 0.000 0.758 313 E HN 0.178 nan 8.360 nan 0.000 0.467 314 G N 1.677 110.544 108.800 0.110 0.000 2.403 314 G HA2 -0.124 3.837 3.960 0.001 0.000 0.216 314 G HA3 -0.124 3.837 3.960 0.001 0.000 0.216 314 G C 1.627 176.636 174.900 0.181 0.000 1.154 314 G CA 0.589 45.785 45.100 0.160 0.000 0.784 314 G HN 0.194 nan 8.290 nan 0.000 0.538 315 I N 1.329 121.975 120.570 0.126 0.000 2.252 315 I HA -0.139 4.032 4.170 0.001 0.000 0.245 315 I C 3.289 179.467 176.117 0.103 0.000 1.102 315 I CA 0.869 62.226 61.300 0.096 0.000 1.385 315 I CB -0.179 37.862 38.000 0.068 0.000 1.064 315 I HN 0.233 nan 8.210 nan 0.000 0.414 316 A N 0.810 123.716 122.820 0.142 0.000 1.883 316 A HA -0.292 4.029 4.320 0.001 0.000 0.217 316 A C 2.253 179.913 177.584 0.127 0.000 1.186 316 A CA 1.720 53.845 52.037 0.146 0.000 0.624 316 A CB -1.096 18.068 19.000 0.274 0.000 0.822 316 A HN 0.446 nan 8.150 nan 0.000 0.444 317 F N 0.864 120.846 119.950 0.054 0.000 2.095 317 F HA -0.106 4.421 4.527 0.001 0.000 0.298 317 F C 2.550 178.318 175.800 -0.053 0.000 1.104 317 F CA 1.330 59.329 58.000 -0.002 0.000 1.232 317 F CB -0.445 38.582 39.000 0.044 0.000 0.987 317 F HN 0.251 nan 8.300 nan 0.000 0.475 318 A N 0.568 123.405 122.820 0.028 0.000 1.902 318 A HA -0.168 4.153 4.320 0.001 0.000 0.217 318 A C 2.338 179.835 177.584 -0.145 0.000 1.181 318 A CA 1.579 53.565 52.037 -0.086 0.000 0.623 318 A CB -0.683 18.327 19.000 0.016 0.000 0.818 318 A HN 0.438 nan 8.150 nan 0.000 0.443 319 R N -1.009 119.437 120.500 -0.089 0.000 2.096 319 R HA -0.108 4.233 4.340 0.001 0.000 0.235 319 R C 2.483 178.695 176.300 -0.146 0.000 1.127 319 R CA 1.476 57.522 56.100 -0.090 0.000 0.968 319 R CB -0.302 29.969 30.300 -0.048 0.000 0.861 319 R HN 0.533 nan 8.270 nan 0.000 0.440 320 R N 1.055 121.434 120.500 -0.203 0.000 2.075 320 R HA -0.054 4.287 4.340 0.001 0.000 0.232 320 R C 2.324 178.430 176.300 -0.323 0.000 1.126 320 R CA 0.933 56.883 56.100 -0.249 0.000 0.963 320 R CB -0.209 29.932 30.300 -0.266 0.000 0.858 320 R HN 0.152 nan 8.270 nan 0.000 0.435 321 L N 0.207 121.141 121.223 -0.482 0.000 2.051 321 L HA -0.250 4.090 4.340 0.001 0.000 0.214 321 L C 2.642 179.362 176.870 -0.250 0.000 1.076 321 L CA 1.670 56.238 54.840 -0.453 0.000 0.758 321 L CB -0.557 41.155 42.059 -0.579 0.000 0.890 321 L HN 0.330 nan 8.230 nan 0.000 0.433 322 A N -0.334 122.372 122.820 -0.189 0.000 1.898 322 A HA -0.167 4.153 4.320 0.001 0.000 0.216 322 A C 2.365 179.890 177.584 -0.098 0.000 1.181 322 A CA 1.227 53.196 52.037 -0.113 0.000 0.620 322 A CB -0.433 18.518 19.000 -0.082 0.000 0.819 322 A HN 0.304 nan 8.150 nan 0.000 0.442 323 R N -0.522 119.912 120.500 -0.110 0.000 2.120 323 R HA -0.087 4.253 4.340 0.001 0.000 0.234 323 R C 2.078 178.326 176.300 -0.086 0.000 1.123 323 R CA 1.111 57.158 56.100 -0.088 0.000 0.975 323 R CB -0.360 29.885 30.300 -0.091 0.000 0.866 323 R HN 0.492 nan 8.270 nan 0.000 0.446 324 A N -0.068 122.685 122.820 -0.112 0.000 2.235 324 A HA 0.170 4.491 4.320 0.001 0.000 0.208 324 A C 1.378 178.918 177.584 -0.074 0.000 1.172 324 A CA 0.806 52.784 52.037 -0.099 0.000 0.786 324 A CB -0.119 18.800 19.000 -0.135 0.000 0.804 324 A HN 0.459 nan 8.150 nan 0.000 0.479 325 G N -1.370 107.390 108.800 -0.067 0.000 2.143 325 G HA2 -0.206 3.754 3.960 0.001 0.000 0.248 325 G HA3 -0.206 3.754 3.960 0.001 0.000 0.248 325 G C 0.198 175.078 174.900 -0.032 0.000 0.991 325 G CA 0.196 45.271 45.100 -0.040 0.000 0.689 325 G HN 0.756 nan 8.290 nan 0.000 0.522 326 V N 0.919 120.798 119.914 -0.059 0.000 2.775 326 V HA 0.287 4.407 4.120 0.001 0.000 0.299 326 V C 0.482 176.579 176.094 0.006 0.000 1.062 326 V CA -0.535 61.749 62.300 -0.026 0.000 1.063 326 V CB 1.355 33.120 31.823 -0.095 0.000 0.994 326 V HN 0.253 nan 8.190 nan 0.000 0.483 327 D N 3.455 123.893 120.400 0.063 0.000 2.359 327 D HA 0.307 4.947 4.640 0.001 0.000 0.250 327 D C -0.354 176.013 176.300 0.112 0.000 1.264 327 D CA 0.303 54.351 54.000 0.080 0.000 0.911 327 D CB 0.889 41.751 40.800 0.104 0.000 1.056 327 D HN 0.338 nan 8.370 nan 0.000 0.499 328 V N 0.309 120.259 119.914 0.060 0.000 2.604 328 V HA 0.820 4.941 4.120 0.001 0.000 0.305 328 V C 0.091 176.203 176.094 0.029 0.000 1.043 328 V CA -1.253 61.083 62.300 0.060 0.000 0.888 328 V CB 1.744 33.559 31.823 -0.013 0.000 0.995 328 V HN 0.460 nan 8.190 nan 0.000 0.429 329 A N 2.996 125.822 122.820 0.009 0.000 2.330 329 A HA 1.002 5.323 4.320 0.001 0.000 0.327 329 A C -0.074 177.481 177.584 -0.048 0.000 1.155 329 A CA -0.206 51.824 52.037 -0.012 0.000 0.803 329 A CB 1.499 20.499 19.000 -0.001 0.000 1.208 329 A HN 1.796 nan 8.150 nan 0.000 0.477 330 A N 2.433 125.236 122.820 -0.027 0.000 2.401 330 A HA 0.898 5.219 4.320 0.001 0.000 0.310 330 A C -0.276 177.303 177.584 -0.009 0.000 1.075 330 A CA -0.809 51.212 52.037 -0.026 0.000 0.746 330 A CB 1.181 20.179 19.000 -0.003 0.000 1.277 330 A HN 1.217 nan 8.150 nan 0.000 0.425 331 R N 0.458 120.956 120.500 -0.003 0.000 2.651 331 R HA 0.718 5.058 4.340 0.001 0.000 0.278 331 R C -1.951 174.366 176.300 0.029 0.000 1.010 331 R CA -0.749 55.360 56.100 0.016 0.000 0.896 331 R CB 1.609 31.923 30.300 0.023 0.000 1.211 331 R HN 0.302 nan 8.270 nan 0.000 0.456 332 V N 2.541 122.474 119.914 0.031 0.000 2.370 332 V HA 0.246 4.366 4.120 0.001 0.000 0.279 332 V C -0.508 175.604 176.094 0.030 0.000 1.029 332 V CA -0.970 61.350 62.300 0.033 0.000 0.870 332 V CB 1.304 33.146 31.823 0.031 0.000 0.984 332 V HN 0.665 nan 8.190 nan 0.000 0.451 333 N N 5.055 123.774 118.700 0.031 0.000 2.406 333 N HA 0.342 5.082 4.740 0.001 0.000 0.251 333 N C -0.203 175.312 175.510 0.008 0.000 1.069 333 N CA -0.437 52.628 53.050 0.025 0.000 0.947 333 N CB 0.955 39.462 38.487 0.032 0.000 1.111 333 N HN 0.443 nan 8.380 nan 0.000 0.497 334 I N 0.779 121.351 120.570 0.003 0.000 2.692 334 I HA 0.045 4.216 4.170 0.001 0.000 0.284 334 I C 1.621 177.713 176.117 -0.042 0.000 1.159 334 I CA 0.665 61.956 61.300 -0.015 0.000 1.423 334 I CB 0.038 38.035 38.000 -0.005 0.000 1.380 334 I HN 0.786 nan 8.210 nan 0.000 0.580 335 G N 5.441 114.189 108.800 -0.087 0.000 2.157 335 G HA2 -0.218 3.743 3.960 0.001 0.000 0.248 335 G HA3 -0.218 3.743 3.960 0.001 0.000 0.248 335 G C -0.022 174.762 174.900 -0.193 0.000 0.979 335 G CA -0.282 44.730 45.100 -0.147 0.000 0.650 335 G HN 0.458 nan 8.290 nan 0.000 0.529 336 L N 0.900 122.039 121.223 -0.140 0.000 2.346 336 L HA 0.720 5.060 4.340 0.001 0.000 0.276 336 L C 1.167 177.990 176.870 -0.078 0.000 1.006 336 L CA -1.434 53.347 54.840 -0.098 0.000 0.817 336 L CB 1.865 43.909 42.059 -0.026 0.000 1.272 336 L HN 0.176 nan 8.230 nan 0.000 0.421 337 V N -1.266 118.623 119.914 -0.041 0.000 3.336 337 V HA 0.244 4.364 4.120 0.001 0.000 0.304 337 V C 0.238 176.464 176.094 0.220 0.000 1.073 337 V CA -0.692 61.678 62.300 0.117 0.000 1.074 337 V CB 0.542 32.475 31.823 0.184 0.000 1.161 337 V HN 0.764 nan 8.190 nan 0.000 0.460 338 H N 1.073 120.296 119.070 0.254 0.000 3.125 338 H HA 0.370 4.926 4.556 0.001 0.000 0.310 338 H C 1.321 176.837 175.328 0.313 0.000 0.980 338 H CA 1.746 57.949 56.048 0.258 0.000 1.422 338 H CB 0.018 29.940 29.762 0.266 0.000 1.432 338 H HN 1.524 nan 8.280 nan 0.000 0.577 339 G N 2.552 111.204 108.800 -0.248 0.000 2.179 339 G HA2 -0.364 3.596 3.960 0.001 0.000 0.260 339 G HA3 -0.364 3.596 3.960 0.001 0.000 0.260 339 G C 1.308 176.193 174.900 -0.024 0.000 0.977 339 G CA 0.522 45.526 45.100 -0.160 0.000 0.641 339 G HN 0.997 nan 8.290 nan 0.000 0.533 340 A N 1.102 123.965 122.820 0.071 0.000 1.902 340 A HA 0.029 4.350 4.320 0.001 0.000 0.217 340 A C 2.163 179.812 177.584 0.109 0.000 1.181 340 A CA 2.341 54.493 52.037 0.191 0.000 0.623 340 A CB -0.451 18.621 19.000 0.120 0.000 0.818 340 A HN 0.671 nan 8.150 nan 0.000 0.443 341 D N -0.036 120.374 120.400 0.016 0.000 2.144 341 D HA -0.110 4.531 4.640 0.001 0.000 0.199 341 D C 1.687 177.960 176.300 -0.045 0.000 0.984 341 D CA 1.547 55.547 54.000 -0.001 0.000 0.834 341 D CB -0.821 39.964 40.800 -0.025 0.000 0.955 341 D HN 0.287 nan 8.370 nan 0.000 0.465 342 V N 0.149 119.973 119.914 -0.151 0.000 2.825 342 V HA 0.053 4.173 4.120 0.001 0.000 0.246 342 V C 2.402 178.363 176.094 -0.223 0.000 1.068 342 V CA 0.453 62.629 62.300 -0.207 0.000 1.088 342 V CB -0.014 31.568 31.823 -0.401 0.000 0.733 342 V HN 0.106 nan 8.190 nan 0.000 0.468 343 I N -1.345 119.045 120.570 -0.300 0.000 2.585 343 I HA 0.012 4.183 4.170 0.001 0.000 0.254 343 I C 1.184 176.982 176.117 -0.531 0.000 1.129 343 I CA 1.373 62.334 61.300 -0.564 0.000 1.455 343 I CB 0.106 37.635 38.000 -0.785 0.000 1.111 343 I HN 0.224 nan 8.210 nan 0.000 0.433 344 F N 1.429 121.384 119.950 0.007 0.000 2.772 344 F HA 0.234 4.762 4.527 0.001 0.000 0.302 344 F C 1.981 177.940 175.800 0.265 0.000 1.136 344 F CA -0.555 57.554 58.000 0.181 0.000 1.322 344 F CB -0.365 38.644 39.000 0.015 0.000 0.967 344 F HN -0.054 nan 8.300 nan 0.000 0.513 345 R N -0.544 120.097 120.500 0.236 0.000 2.117 345 R HA -0.273 4.068 4.340 0.001 0.000 0.243 345 R C 1.745 178.135 176.300 0.149 0.000 1.143 345 R CA 2.330 58.525 56.100 0.158 0.000 0.968 345 R CB -1.182 29.165 30.300 0.078 0.000 0.863 345 R HN 0.389 nan 8.270 nan 0.000 0.444 346 H N -0.196 118.913 119.070 0.066 0.000 2.422 346 H HA -0.126 4.430 4.556 0.001 0.000 0.298 346 H C 1.166 176.338 175.328 -0.260 0.000 1.098 346 H CA 2.108 58.029 56.048 -0.210 0.000 1.315 346 H CB -0.084 29.368 29.762 -0.518 0.000 1.382 346 H HN 0.364 nan 8.280 nan 0.000 0.523 347 W N -0.352 120.949 121.300 0.002 0.000 3.077 347 W HA 0.220 4.881 4.660 0.001 0.000 0.266 347 W C -0.142 176.347 176.519 -0.050 0.000 1.300 347 W CA 0.102 57.419 57.345 -0.047 0.000 1.586 347 W CB 0.539 30.031 29.460 0.053 0.000 1.103 347 W HN 0.132 nan 8.180 nan 0.000 0.652 348 L N 1.598 122.918 121.223 0.163 0.000 2.678 348 L HA 0.179 4.519 4.340 0.001 0.000 0.250 348 L C -1.424 175.475 176.870 0.048 0.000 1.455 348 L CA -1.146 53.755 54.840 0.103 0.000 0.823 348 L CB 0.861 43.000 42.059 0.134 0.000 1.107 348 L HN -0.366 nan 8.230 nan 0.000 0.514 349 P HA -0.142 nan 4.420 nan 0.000 0.219 349 P C 1.426 178.732 177.300 0.010 0.000 1.150 349 P CA 1.149 64.244 63.100 -0.009 0.000 0.814 349 P CB 0.529 32.203 31.700 -0.044 0.000 0.787 350 A N 0.555 123.383 122.820 0.013 0.000 1.897 350 A HA 0.043 4.363 4.320 0.001 0.000 0.215 350 A C 2.476 180.078 177.584 0.030 0.000 1.181 350 A CA 1.854 53.901 52.037 0.018 0.000 0.620 350 A CB -1.457 17.552 19.000 0.015 0.000 0.821 350 A HN 0.209 nan 8.150 nan 0.000 0.443 351 A N -0.213 122.628 122.820 0.035 0.000 1.902 351 A HA -0.047 4.273 4.320 0.001 0.000 0.217 351 A C 2.146 179.761 177.584 0.051 0.000 1.181 351 A CA 1.524 53.586 52.037 0.041 0.000 0.623 351 A CB -0.573 18.450 19.000 0.039 0.000 0.818 351 A HN 0.518 nan 8.150 nan 0.000 0.443 352 L N 0.016 121.272 121.223 0.056 0.000 2.046 352 L HA -0.179 4.161 4.340 0.001 0.000 0.208 352 L C 2.237 179.156 176.870 0.081 0.000 1.077 352 L CA 2.725 57.611 54.840 0.078 0.000 0.747 352 L CB -0.921 41.182 42.059 0.073 0.000 0.896 352 L HN 0.683 nan 8.230 nan 0.000 0.432 353 E N -0.788 119.442 120.200 0.050 0.000 2.077 353 E HA -0.246 4.105 4.350 0.001 0.000 0.193 353 E C 2.259 178.887 176.600 0.047 0.000 0.989 353 E CA 1.482 57.904 56.400 0.037 0.000 0.800 353 E CB 0.043 29.756 29.700 0.022 0.000 0.746 353 E HN 0.499 nan 8.360 nan 0.000 0.452 354 S N -0.762 114.969 115.700 0.052 0.000 2.368 354 S HA -0.140 4.330 4.470 0.001 0.000 0.225 354 S C 1.986 176.635 174.600 0.083 0.000 1.030 354 S CA 1.870 60.106 58.200 0.061 0.000 0.999 354 S CB -0.380 62.854 63.200 0.057 0.000 0.844 354 S HN 0.332 nan 8.310 nan 0.000 0.459 355 T N 1.523 116.136 114.554 0.098 0.000 2.777 355 T HA -0.009 4.342 4.350 0.001 0.000 0.266 355 T C 1.841 176.630 174.700 0.148 0.000 1.040 355 T CA 1.355 63.532 62.100 0.129 0.000 1.141 355 T CB -0.414 68.525 68.868 0.119 0.000 0.868 355 T HN 0.262 nan 8.240 nan 0.000 0.444 356 V N 1.724 121.719 119.914 0.136 0.000 2.295 356 V HA -0.204 3.917 4.120 0.001 0.000 0.246 356 V C 2.608 178.684 176.094 -0.030 0.000 1.049 356 V CA 2.020 64.320 62.300 0.000 0.000 1.024 356 V CB -0.613 31.181 31.823 -0.048 0.000 0.648 356 V HN 0.388 nan 8.190 nan 0.000 0.447 357 R N 0.210 120.718 120.500 0.013 0.000 2.083 357 R HA -0.237 4.103 4.340 0.001 0.000 0.237 357 R C 2.076 178.410 176.300 0.057 0.000 1.137 357 R CA 2.414 58.528 56.100 0.024 0.000 0.951 357 R CB -0.478 29.844 30.300 0.038 0.000 0.851 357 R HN 0.542 nan 8.270 nan 0.000 0.434 358 D N -0.693 119.760 120.400 0.088 0.000 2.149 358 D HA -0.076 4.564 4.640 0.001 0.000 0.201 358 D C 1.832 178.224 176.300 0.154 0.000 0.972 358 D CA 0.891 54.993 54.000 0.171 0.000 0.835 358 D CB 0.231 41.178 40.800 0.245 0.000 0.966 358 D HN 0.123 nan 8.370 nan 0.000 0.476 359 V N 0.569 120.438 119.914 -0.074 0.000 2.323 359 V HA -0.123 3.997 4.120 0.001 0.000 0.244 359 V C 2.506 178.592 176.094 -0.012 0.000 1.041 359 V CA 1.668 63.825 62.300 -0.238 0.000 1.025 359 V CB -0.725 30.885 31.823 -0.354 0.000 0.656 359 V HN 0.267 nan 8.190 nan 0.000 0.451 360 A N 0.439 123.226 122.820 -0.055 0.000 1.898 360 A HA -0.058 4.263 4.320 0.001 0.000 0.216 360 A C 2.387 179.990 177.584 0.032 0.000 1.181 360 A CA 1.889 53.900 52.037 -0.042 0.000 0.620 360 A CB -1.163 17.783 19.000 -0.090 0.000 0.819 360 A HN 0.518 nan 8.150 nan 0.000 0.442 361 G N -1.228 107.617 108.800 0.075 0.000 2.421 361 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 361 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 361 G C 1.462 176.453 174.900 0.152 0.000 1.171 361 G CA 1.110 46.269 45.100 0.098 0.000 0.775 361 G HN 0.468 nan 8.290 nan 0.000 0.543 362 F N 2.538 122.544 119.950 0.093 0.000 2.126 362 F HA 0.005 4.533 4.527 0.001 0.000 0.299 362 F C 2.761 178.613 175.800 0.087 0.000 1.096 362 F CA 1.341 59.417 58.000 0.128 0.000 1.255 362 F CB -0.282 38.878 39.000 0.266 0.000 0.997 362 F HN 0.224 nan 8.300 nan 0.000 0.479 363 A N 0.121 122.981 122.820 0.065 0.000 1.933 363 A HA -0.013 4.308 4.320 0.001 0.000 0.218 363 A C 2.377 179.907 177.584 -0.089 0.000 1.175 363 A CA 1.651 53.659 52.037 -0.050 0.000 0.628 363 A CB -1.451 17.563 19.000 0.024 0.000 0.814 363 A HN 0.490 nan 8.150 nan 0.000 0.444 364 A N -0.211 122.581 122.820 -0.047 0.000 1.929 364 A HA -0.089 4.231 4.320 0.001 0.000 0.216 364 A C 1.760 179.304 177.584 -0.067 0.000 1.176 364 A CA 1.636 53.647 52.037 -0.043 0.000 0.628 364 A CB -0.433 18.557 19.000 -0.015 0.000 0.816 364 A HN 0.416 nan 8.150 nan 0.000 0.444 365 D N -0.290 120.060 120.400 -0.083 0.000 2.117 365 D HA -0.111 4.530 4.640 0.001 0.000 0.197 365 D C 2.152 178.358 176.300 -0.156 0.000 0.987 365 D CA 0.851 54.796 54.000 -0.093 0.000 0.829 365 D CB -0.246 40.521 40.800 -0.056 0.000 0.961 365 D HN 0.210 nan 8.370 nan 0.000 0.460 366 R N 0.634 120.965 120.500 -0.282 0.000 2.092 366 R HA 0.039 4.379 4.340 0.001 0.000 0.231 366 R C 2.127 178.343 176.300 -0.140 0.000 1.119 366 R CA 0.943 56.884 56.100 -0.266 0.000 0.970 366 R CB -0.664 29.392 30.300 -0.406 0.000 0.864 366 R HN 0.139 nan 8.270 nan 0.000 0.440 367 A N 1.197 123.949 122.820 -0.112 0.000 1.873 367 A HA -0.166 4.154 4.320 0.001 0.000 0.215 367 A C 2.282 179.836 177.584 -0.049 0.000 1.186 367 A CA 1.372 53.370 52.037 -0.066 0.000 0.616 367 A CB -0.496 18.474 19.000 -0.050 0.000 0.823 367 A HN 0.241 nan 8.150 nan 0.000 0.442 368 R N -0.420 120.052 120.500 -0.048 0.000 2.113 368 R HA -0.133 4.207 4.340 0.001 0.000 0.244 368 R C 1.182 177.464 176.300 -0.030 0.000 1.142 368 R CA 2.056 58.136 56.100 -0.033 0.000 0.953 368 R CB -0.369 29.914 30.300 -0.028 0.000 0.860 368 R HN 0.492 nan 8.270 nan 0.000 0.438 369 L N 0.662 121.862 121.223 -0.039 0.000 2.700 369 L HA 0.213 4.554 4.340 0.001 0.000 0.234 369 L C 0.921 177.775 176.870 -0.026 0.000 1.156 369 L CA -0.453 54.370 54.840 -0.028 0.000 0.946 369 L CB 0.010 42.052 42.059 -0.028 0.000 1.216 369 L HN 0.124 nan 8.230 nan 0.000 0.493 370 R N 0.000 120.481 120.500 -0.031 0.000 2.786 370 R HA 0.000 4.340 4.340 0.001 0.000 0.208 370 R CA 0.000 56.085 56.100 -0.024 0.000 0.921 370 R CB 0.000 30.285 30.300 -0.026 0.000 0.687 370 R HN 0.000 nan 8.270 nan 0.000 0.535