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 2oql_1_A DATA FIRST_RESID 36 DATA SEQUENCE RINTVRGPIT ISEAGFTLTH EHICGSSAGF LRAWPEFFGS RKALAEKAVR DATA SEQUENCE GLRRARAAGV RTIVDVSTFD IGRDVSLLAE VSRAADVHIV AATGLWFDPP DATA SEQUENCE LSMRLRSVEE LTQFFLREIQ YGIEDTGIRA GIIXVATTGK ATPFQELVLK DATA SEQUENCE AAARASLATG VPVTTHTAAS QRDGEQQAAI FESEGLSPSR VCIGHSDDTD DATA SEQUENCE DLSYLTALAA RGYLIGLDQI PFSAIGLEDN ASASALLGIR SWQTRALLIK DATA SEQUENCE ALIDQGYMKQ ILVSNDWLFG FSSYVTNIMD VMDRVNPDGM AFIPLRVIPF DATA SEQUENCE LREKGVPQET LAGITVTNPA RFLSPTLRAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 36 R HA 0.000 nan 4.340 nan 0.000 0.208 36 R C 0.000 176.256 176.300 -0.073 0.000 0.893 36 R CA 0.000 56.063 56.100 -0.062 0.000 0.921 36 R CB 0.000 30.266 30.300 -0.056 0.000 0.687 37 I N 2.031 122.551 120.570 -0.083 0.000 2.321 37 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 37 I C -0.121 175.944 176.117 -0.087 0.000 0.998 37 I CA -0.820 60.426 61.300 -0.090 0.000 1.227 37 I CB 1.281 39.224 38.000 -0.094 0.000 1.368 37 I HN 0.287 nan 8.210 nan 0.000 0.466 38 N N 4.792 123.445 118.700 -0.078 0.000 2.447 38 N HA 0.097 4.837 4.740 -0.000 0.000 0.263 38 N C -0.017 175.459 175.510 -0.057 0.000 1.226 38 N CA 0.242 53.252 53.050 -0.065 0.000 0.906 38 N CB 0.850 39.298 38.487 -0.064 0.000 1.060 38 N HN 0.718 nan 8.380 nan 0.000 0.468 39 T N -2.995 111.533 114.554 -0.043 0.000 2.888 39 T HA 0.337 4.687 4.350 -0.000 0.000 0.288 39 T C 1.367 176.067 174.700 -0.001 0.000 1.063 39 T CA -0.761 61.331 62.100 -0.013 0.000 1.010 39 T CB 0.821 69.694 68.868 0.007 0.000 1.214 39 T HN 0.114 nan 8.240 nan 0.000 0.533 40 V N -0.690 119.235 119.914 0.018 0.000 2.913 40 V HA 0.115 4.235 4.120 -0.000 0.000 0.260 40 V C 1.956 178.060 176.094 0.017 0.000 1.098 40 V CA 0.887 63.195 62.300 0.015 0.000 1.121 40 V CB -1.208 30.628 31.823 0.021 0.000 0.714 40 V HN 0.833 nan 8.190 nan 0.000 0.487 41 R N 0.993 121.512 120.500 0.032 0.000 2.334 41 R HA 0.524 4.863 4.340 -0.000 0.000 0.216 41 R C 0.930 177.239 176.300 0.015 0.000 0.905 41 R CA 0.585 56.704 56.100 0.031 0.000 1.064 41 R CB 0.617 30.953 30.300 0.060 0.000 1.046 41 R HN 0.725 nan 8.270 nan 0.000 0.508 42 G N 1.210 110.010 108.800 0.000 0.000 2.354 42 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.582 42 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.582 42 G C -3.129 171.751 174.900 -0.034 0.000 1.316 42 G CA -1.342 43.747 45.100 -0.018 0.000 0.995 42 G HN -0.209 nan 8.290 nan 0.000 0.573 43 P HA 0.471 nan 4.420 nan 0.000 0.271 43 P C 0.153 177.408 177.300 -0.075 0.000 1.216 43 P CA -0.078 62.986 63.100 -0.060 0.000 0.771 43 P CB 0.580 32.250 31.700 -0.051 0.000 0.864 44 I N -0.625 119.878 120.570 -0.112 0.000 2.693 44 I HA 0.666 4.836 4.170 -0.000 0.000 0.303 44 I C 0.178 176.228 176.117 -0.112 0.000 1.025 44 I CA -0.958 60.255 61.300 -0.146 0.000 1.086 44 I CB 2.221 40.034 38.000 -0.312 0.000 1.268 44 I HN 0.219 nan 8.210 nan 0.000 0.440 45 T N 0.979 115.480 114.554 -0.089 0.000 2.849 45 T HA 0.398 4.748 4.350 -0.000 0.000 0.284 45 T C 1.122 175.783 174.700 -0.065 0.000 1.004 45 T CA -0.496 61.567 62.100 -0.062 0.000 1.021 45 T CB 1.373 70.217 68.868 -0.040 0.000 1.013 45 T HN 0.634 nan 8.240 nan 0.000 0.527 46 I N 1.403 121.945 120.570 -0.046 0.000 2.194 46 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 46 I C 2.946 179.051 176.117 -0.021 0.000 1.093 46 I CA 1.968 63.247 61.300 -0.034 0.000 1.355 46 I CB -0.527 37.458 38.000 -0.026 0.000 1.046 46 I HN 0.917 nan 8.210 nan 0.000 0.413 47 S N 0.070 115.760 115.700 -0.016 0.000 2.419 47 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 47 S C 1.730 176.338 174.600 0.013 0.000 1.016 47 S CA 1.193 59.393 58.200 0.000 0.000 0.974 47 S CB -0.425 62.776 63.200 0.001 0.000 0.786 47 S HN 0.537 nan 8.310 nan 0.000 0.492 48 E N 1.086 121.282 120.200 -0.007 0.000 2.299 48 E HA 0.195 4.545 4.350 -0.000 0.000 0.193 48 E C 2.283 178.905 176.600 0.037 0.000 0.998 48 E CA 0.555 56.963 56.400 0.014 0.000 0.851 48 E CB -0.249 29.412 29.700 -0.064 0.000 0.795 48 E HN 0.722 nan 8.360 nan 0.000 0.492 49 A N 1.476 124.292 122.820 -0.006 0.000 1.898 49 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 49 A C 1.611 179.278 177.584 0.138 0.000 1.181 49 A CA 1.343 53.402 52.037 0.037 0.000 0.620 49 A CB -1.034 17.968 19.000 0.004 0.000 0.819 49 A HN 0.338 nan 8.150 nan 0.000 0.442 50 G N -1.266 107.600 108.800 0.110 0.000 2.578 50 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.275 50 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.275 50 G C 0.026 175.029 174.900 0.173 0.000 1.271 50 G CA 0.105 45.287 45.100 0.137 0.000 0.941 50 G HN 1.127 nan 8.290 nan 0.000 0.564 51 F N 2.528 122.507 119.950 0.048 0.000 2.571 51 F HA 0.489 5.016 4.527 -0.000 0.000 0.384 51 F C 0.881 176.714 175.800 0.054 0.000 1.058 51 F CA 0.742 58.767 58.000 0.042 0.000 1.200 51 F CB 0.329 39.348 39.000 0.031 0.000 1.077 51 F HN 0.445 nan 8.300 nan 0.000 0.558 52 T N 8.002 122.709 114.554 0.256 0.000 2.840 52 T HA 0.436 4.786 4.350 -0.000 0.000 0.287 52 T C -0.392 174.428 174.700 0.200 0.000 0.991 52 T CA -0.610 61.623 62.100 0.222 0.000 0.964 52 T CB 0.942 69.879 68.868 0.116 0.000 0.954 52 T HN 0.385 nan 8.240 nan 0.000 0.438 53 L N 3.593 124.963 121.223 0.246 0.000 2.260 53 L HA 0.334 4.674 4.340 -0.000 0.000 0.289 53 L C 1.681 178.630 176.870 0.133 0.000 1.057 53 L CA -0.486 54.473 54.840 0.199 0.000 0.811 53 L CB 0.934 43.120 42.059 0.212 0.000 1.184 53 L HN 0.833 nan 8.230 nan 0.000 0.429 54 T N -2.155 112.464 114.554 0.109 0.000 3.086 54 T HA 0.031 4.380 4.350 -0.000 0.000 0.250 54 T C 0.380 175.139 174.700 0.098 0.000 1.074 54 T CA 0.141 62.299 62.100 0.096 0.000 0.988 54 T CB -0.262 68.648 68.868 0.071 0.000 0.988 54 T HN 0.605 nan 8.240 nan 0.000 0.530 55 H N 0.709 119.777 119.070 -0.003 0.000 3.108 55 H HA 0.481 5.037 4.556 -0.000 0.000 0.301 55 H C -1.170 174.113 175.328 -0.075 0.000 1.139 55 H CA -0.509 55.507 56.048 -0.054 0.000 1.552 55 H CB 0.552 30.301 29.762 -0.023 0.000 1.663 55 H HN 0.047 nan 8.280 nan 0.000 0.517 56 E N 2.586 122.703 120.200 -0.138 0.000 2.446 56 E HA 0.343 4.693 4.350 -0.000 0.000 0.276 56 E C -0.969 175.326 176.600 -0.508 0.000 0.969 56 E CA -0.897 55.430 56.400 -0.123 0.000 0.800 56 E CB 2.120 31.829 29.700 0.014 0.000 1.341 56 E HN 0.600 nan 8.360 nan 0.000 0.460 57 H N 0.737 119.762 119.070 -0.076 0.000 2.865 57 H HA 0.312 4.868 4.556 -0.000 0.000 0.362 57 H C 0.952 176.208 175.328 -0.120 0.000 1.114 57 H CA -0.574 55.393 56.048 -0.136 0.000 1.208 57 H CB 1.877 31.499 29.762 -0.233 0.000 1.727 57 H HN 0.280 nan 8.280 nan 0.000 0.534 58 I N 0.568 121.193 120.570 0.093 0.000 2.233 58 I HA -0.106 4.064 4.170 -0.000 0.000 0.243 58 I C 1.175 177.355 176.117 0.105 0.000 1.093 58 I CA 1.192 62.607 61.300 0.191 0.000 1.380 58 I CB -0.019 38.085 38.000 0.174 0.000 1.067 58 I HN 0.361 nan 8.210 nan 0.000 0.413 59 C N 0.968 120.275 119.300 0.012 0.000 2.607 59 C HA 0.689 5.149 4.460 -0.000 0.000 0.350 59 C C 0.394 175.300 174.990 -0.140 0.000 1.101 59 C CA -0.686 58.298 59.018 -0.058 0.000 1.282 59 C CB 0.336 28.011 27.740 -0.109 0.000 1.825 59 C HN 0.520 nan 8.230 nan 0.000 0.460 60 G N 4.194 112.833 108.800 -0.269 0.000 2.391 60 G HA2 0.518 4.478 3.960 -0.000 0.000 0.305 60 G HA3 0.518 4.478 3.960 -0.000 0.000 0.305 60 G C 0.002 174.833 174.900 -0.115 0.000 1.072 60 G CA 0.365 45.200 45.100 -0.441 0.000 1.016 60 G HN 0.985 nan 8.290 nan 0.000 0.418 61 S N 1.204 116.840 115.700 -0.106 0.000 3.952 61 S HA 0.842 5.312 4.470 -0.000 0.000 0.293 61 S C -0.149 174.405 174.600 -0.077 0.000 1.090 61 S CA -0.382 57.812 58.200 -0.010 0.000 1.264 61 S CB 1.217 64.518 63.200 0.167 0.000 1.393 61 S HN 0.561 nan 8.310 nan 0.000 0.757 62 S N 0.410 116.087 115.700 -0.039 0.000 2.564 62 S HA 0.760 5.230 4.470 -0.000 0.000 0.274 62 S C -0.795 173.799 174.600 -0.010 0.000 1.124 62 S CA -0.259 57.921 58.200 -0.033 0.000 0.869 62 S CB 1.475 64.638 63.200 -0.061 0.000 1.105 62 S HN 1.054 nan 8.310 nan 0.000 0.472 63 A N 0.715 123.432 122.820 -0.172 0.000 2.567 63 A HA 0.460 4.780 4.320 -0.000 0.000 0.240 63 A C 1.563 179.125 177.584 -0.037 0.000 1.053 63 A CA 0.795 52.649 52.037 -0.305 0.000 0.755 63 A CB -1.255 17.262 19.000 -0.805 0.000 0.978 63 A HN 2.098 nan 8.150 nan 0.000 0.507 64 G N 1.373 110.185 108.800 0.021 0.000 2.212 64 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.266 64 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.266 64 G C 0.820 175.813 174.900 0.156 0.000 0.978 64 G CA 1.116 46.271 45.100 0.093 0.000 0.632 64 G HN 1.304 nan 8.290 nan 0.000 0.537 65 F N 0.641 120.631 119.950 0.066 0.000 2.128 65 F HA 0.247 4.774 4.527 -0.000 0.000 0.295 65 F C 2.430 178.366 175.800 0.227 0.000 1.100 65 F CA 1.947 60.030 58.000 0.138 0.000 1.260 65 F CB -0.266 38.791 39.000 0.094 0.000 1.009 65 F HN 0.196 nan 8.300 nan 0.000 0.476 66 L N 1.117 122.531 121.223 0.319 0.000 2.043 66 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 66 L C 2.366 179.303 176.870 0.111 0.000 1.075 66 L CA 1.801 56.770 54.840 0.216 0.000 0.752 66 L CB -0.775 41.310 42.059 0.044 0.000 0.891 66 L HN 0.041 nan 8.230 nan 0.000 0.432 67 R N -0.409 120.139 120.500 0.080 0.000 2.115 67 R HA 0.072 4.411 4.340 -0.000 0.000 0.226 67 R C 2.107 178.434 176.300 0.044 0.000 1.100 67 R CA 1.182 57.318 56.100 0.060 0.000 0.980 67 R CB -0.967 29.368 30.300 0.058 0.000 0.875 67 R HN 0.517 nan 8.270 nan 0.000 0.445 68 A N -0.642 122.188 122.820 0.016 0.000 1.975 68 A HA -0.060 4.259 4.320 -0.000 0.000 0.215 68 A C 0.617 178.201 177.584 -0.001 0.000 1.170 68 A CA 0.485 52.514 52.037 -0.014 0.000 0.656 68 A CB -0.026 18.957 19.000 -0.028 0.000 0.821 68 A HN 0.411 nan 8.150 nan 0.000 0.449 69 W N 0.847 121.968 121.300 -0.300 0.000 1.290 69 W HA 0.371 5.030 4.660 -0.000 0.000 0.304 69 W C -2.598 173.873 176.519 -0.081 0.000 0.858 69 W CA -2.171 54.992 57.345 -0.303 0.000 1.894 69 W CB 0.988 30.057 29.460 -0.652 0.000 1.934 69 W HN 0.157 nan 8.180 nan 0.000 0.472 70 P HA -0.169 nan 4.420 nan 0.000 0.221 70 P C 0.872 178.381 177.300 0.348 0.000 1.150 70 P CA 1.639 64.942 63.100 0.338 0.000 0.800 70 P CB 0.511 32.332 31.700 0.201 0.000 0.787 71 E N -0.648 119.733 120.200 0.301 0.000 2.265 71 E HA -0.147 4.202 4.350 -0.000 0.000 0.196 71 E C 1.624 178.260 176.600 0.060 0.000 0.996 71 E CA 0.614 57.144 56.400 0.217 0.000 0.832 71 E CB -1.276 28.585 29.700 0.269 0.000 0.756 71 E HN 0.250 nan 8.360 nan 0.000 0.491 72 F N -0.080 119.691 119.950 -0.297 0.000 2.192 72 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 72 F C 0.954 176.417 175.800 -0.562 0.000 1.079 72 F CA 1.196 58.774 58.000 -0.704 0.000 1.303 72 F CB 0.017 38.323 39.000 -1.157 0.000 1.024 72 F HN -0.026 nan 8.300 nan 0.000 0.494 73 F N 0.071 120.024 119.950 0.004 0.000 2.645 73 F HA 0.370 4.897 4.527 -0.000 0.000 0.300 73 F C 1.688 177.468 175.800 -0.034 0.000 1.115 73 F CA 0.412 58.411 58.000 -0.002 0.000 1.355 73 F CB 0.042 39.126 39.000 0.139 0.000 1.026 73 F HN 0.173 nan 8.300 nan 0.000 0.536 74 G N 0.611 109.434 108.800 0.039 0.000 4.655 74 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 74 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 74 G C 0.346 175.306 174.900 0.100 0.000 1.403 74 G CA 0.272 45.401 45.100 0.049 0.000 0.931 74 G HN 0.839 nan 8.290 nan 0.000 0.654 75 S N -1.493 114.292 115.700 0.141 0.000 2.611 75 S HA 0.691 5.161 4.470 -0.000 0.000 0.268 75 S C 0.374 175.058 174.600 0.140 0.000 1.156 75 S CA 0.567 58.849 58.200 0.136 0.000 0.817 75 S CB 1.672 64.924 63.200 0.086 0.000 1.122 75 S HN 0.820 nan 8.310 nan 0.000 0.466 76 R N 0.921 121.485 120.500 0.106 0.000 2.081 76 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 76 R C 2.139 178.458 176.300 0.032 0.000 1.131 76 R CA 1.767 57.899 56.100 0.053 0.000 0.960 76 R CB -0.450 29.874 30.300 0.040 0.000 0.856 76 R HN 0.765 nan 8.270 nan 0.000 0.436 77 K N -0.093 120.329 120.400 0.038 0.000 2.032 77 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 77 K C 1.925 178.539 176.600 0.024 0.000 1.048 77 K CA 1.604 57.905 56.287 0.024 0.000 0.927 77 K CB -0.191 32.324 32.500 0.025 0.000 0.712 77 K HN 0.248 nan 8.250 nan 0.000 0.441 78 A N 1.207 124.053 122.820 0.042 0.000 1.902 78 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 78 A C 2.039 179.653 177.584 0.050 0.000 1.181 78 A CA 1.404 53.468 52.037 0.045 0.000 0.623 78 A CB -0.602 18.435 19.000 0.062 0.000 0.818 78 A HN 0.406 nan 8.150 nan 0.000 0.443 79 L N -0.193 121.068 121.223 0.062 0.000 2.017 79 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 79 L C 2.649 179.522 176.870 0.004 0.000 1.073 79 L CA 2.287 57.156 54.840 0.047 0.000 0.745 79 L CB -0.894 41.149 42.059 -0.027 0.000 0.894 79 L HN 0.328 nan 8.230 nan 0.000 0.432 80 A N -0.769 122.042 122.820 -0.014 0.000 1.908 80 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 80 A C 2.191 179.739 177.584 -0.059 0.000 1.181 80 A CA 1.934 53.950 52.037 -0.035 0.000 0.627 80 A CB -0.714 18.271 19.000 -0.024 0.000 0.818 80 A HN 0.623 nan 8.150 nan 0.000 0.445 81 E N -0.632 119.544 120.200 -0.040 0.000 2.077 81 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 81 E C 2.118 178.667 176.600 -0.086 0.000 0.989 81 E CA 1.444 57.813 56.400 -0.052 0.000 0.800 81 E CB -0.112 29.574 29.700 -0.024 0.000 0.746 81 E HN 0.668 nan 8.360 nan 0.000 0.452 82 K N 0.583 120.944 120.400 -0.066 0.000 2.057 82 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 82 K C 2.117 178.524 176.600 -0.322 0.000 1.049 82 K CA 1.155 57.395 56.287 -0.079 0.000 0.931 82 K CB -0.090 32.439 32.500 0.047 0.000 0.714 82 K HN 0.083 nan 8.250 nan 0.000 0.440 83 A N 0.632 123.225 122.820 -0.377 0.000 1.877 83 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 83 A C 2.239 179.417 177.584 -0.678 0.000 1.186 83 A CA 1.667 53.210 52.037 -0.822 0.000 0.620 83 A CB -0.678 18.177 19.000 -0.240 0.000 0.822 83 A HN 0.175 nan 8.150 nan 0.000 0.443 84 V N 0.050 119.768 119.914 -0.328 0.000 2.295 84 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 84 V C 2.630 178.594 176.094 -0.216 0.000 1.049 84 V CA 2.219 64.389 62.300 -0.218 0.000 1.024 84 V CB -0.849 30.900 31.823 -0.124 0.000 0.648 84 V HN 0.518 nan 8.190 nan 0.000 0.447 85 R N 0.068 120.445 120.500 -0.205 0.000 2.096 85 R HA -0.168 4.171 4.340 -0.000 0.000 0.240 85 R C 2.447 178.647 176.300 -0.167 0.000 1.139 85 R CA 1.717 57.729 56.100 -0.147 0.000 0.952 85 R CB -0.896 29.344 30.300 -0.100 0.000 0.854 85 R HN 0.611 nan 8.270 nan 0.000 0.436 86 G N 0.786 109.387 108.800 -0.331 0.000 2.402 86 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 86 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 86 G C 1.461 176.315 174.900 -0.076 0.000 1.162 86 G CA 0.302 45.266 45.100 -0.227 0.000 0.777 86 G HN 0.125 nan 8.290 nan 0.000 0.539 87 L N -0.302 120.801 121.223 -0.200 0.000 2.093 87 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 87 L C 3.139 179.984 176.870 -0.042 0.000 1.085 87 L CA 0.801 55.623 54.840 -0.030 0.000 0.755 87 L CB -0.305 41.726 42.059 -0.046 0.000 0.904 87 L HN 0.126 nan 8.230 nan 0.000 0.435 88 R N -0.279 120.175 120.500 -0.077 0.000 2.096 88 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 88 R C 2.469 178.738 176.300 -0.051 0.000 1.127 88 R CA 1.133 57.195 56.100 -0.063 0.000 0.968 88 R CB -0.224 30.036 30.300 -0.067 0.000 0.861 88 R HN 0.355 nan 8.270 nan 0.000 0.440 89 R N 0.207 120.681 120.500 -0.042 0.000 2.081 89 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 89 R C 2.328 178.603 176.300 -0.042 0.000 1.131 89 R CA 1.361 57.441 56.100 -0.033 0.000 0.960 89 R CB -0.424 29.868 30.300 -0.013 0.000 0.856 89 R HN 0.200 nan 8.270 nan 0.000 0.436 90 A N 1.434 124.243 122.820 -0.020 0.000 1.877 90 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 90 A C 2.219 179.741 177.584 -0.102 0.000 1.186 90 A CA 1.370 53.378 52.037 -0.047 0.000 0.620 90 A CB -0.520 18.493 19.000 0.022 0.000 0.822 90 A HN 0.220 nan 8.150 nan 0.000 0.443 91 R N -0.498 119.957 120.500 -0.074 0.000 2.091 91 R HA -0.128 4.211 4.340 -0.000 0.000 0.238 91 R C 2.284 178.528 176.300 -0.094 0.000 1.136 91 R CA 1.412 57.461 56.100 -0.086 0.000 0.959 91 R CB -0.385 29.875 30.300 -0.067 0.000 0.856 91 R HN 0.466 nan 8.270 nan 0.000 0.437 92 A N 0.317 123.089 122.820 -0.080 0.000 2.019 92 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 92 A C 2.069 179.598 177.584 -0.091 0.000 1.164 92 A CA 1.519 53.513 52.037 -0.073 0.000 0.644 92 A CB -0.381 18.585 19.000 -0.057 0.000 0.805 92 A HN 0.489 nan 8.150 nan 0.000 0.449 93 A N -2.113 120.633 122.820 -0.123 0.000 2.238 93 A HA 0.431 4.750 4.320 -0.000 0.000 0.208 93 A C 1.641 179.079 177.584 -0.243 0.000 1.177 93 A CA 1.215 53.156 52.037 -0.160 0.000 0.804 93 A CB -0.632 18.266 19.000 -0.169 0.000 0.823 93 A HN 1.750 nan 8.150 nan 0.000 0.482 94 G N -1.979 106.677 108.800 -0.240 0.000 2.192 94 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.193 94 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.193 94 G C 0.140 174.807 174.900 -0.389 0.000 0.999 94 G CA -0.083 44.852 45.100 -0.275 0.000 0.659 94 G HN 0.631 nan 8.290 nan 0.000 0.503 95 V N 1.881 121.542 119.914 -0.422 0.000 2.637 95 V HA 0.407 4.527 4.120 -0.000 0.000 0.296 95 V C 1.484 177.546 176.094 -0.054 0.000 1.046 95 V CA 0.176 62.300 62.300 -0.292 0.000 1.066 95 V CB 1.425 33.134 31.823 -0.190 0.000 0.968 95 V HN 0.321 nan 8.190 nan 0.000 0.483 96 R N 1.744 122.295 120.500 0.085 0.000 2.342 96 R HA 0.247 4.587 4.340 -0.000 0.000 0.204 96 R C 0.171 176.550 176.300 0.133 0.000 0.882 96 R CA 0.345 56.499 56.100 0.090 0.000 1.041 96 R CB 0.791 31.178 30.300 0.146 0.000 1.188 96 R HN 0.689 nan 8.270 nan 0.000 0.598 97 T N 1.916 116.585 114.554 0.192 0.000 2.933 97 T HA 0.573 4.923 4.350 -0.000 0.000 0.305 97 T C -0.301 174.499 174.700 0.167 0.000 1.092 97 T CA -0.613 61.610 62.100 0.204 0.000 1.008 97 T CB 2.318 71.314 68.868 0.213 0.000 1.102 97 T HN 0.154 nan 8.240 nan 0.000 0.469 98 I N -0.686 119.966 120.570 0.136 0.000 2.693 98 I HA 0.889 5.059 4.170 -0.000 0.000 0.303 98 I C -1.110 175.051 176.117 0.073 0.000 1.025 98 I CA -1.255 60.112 61.300 0.113 0.000 1.086 98 I CB 1.856 39.924 38.000 0.113 0.000 1.268 98 I HN 0.282 nan 8.210 nan 0.000 0.440 99 V N 3.723 123.662 119.914 0.042 0.000 2.328 99 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 99 V C -0.397 175.642 176.094 -0.090 0.000 1.021 99 V CA -0.239 62.056 62.300 -0.009 0.000 0.838 99 V CB 0.902 32.730 31.823 0.010 0.000 0.999 99 V HN 0.731 nan 8.190 nan 0.000 0.447 100 D N 4.428 124.771 120.400 -0.094 0.000 2.393 100 D HA 0.116 4.756 4.640 -0.000 0.000 0.232 100 D C 0.831 176.996 176.300 -0.224 0.000 1.192 100 D CA -0.250 53.651 54.000 -0.165 0.000 0.882 100 D CB 1.759 42.520 40.800 -0.066 0.000 1.038 100 D HN 0.450 nan 8.370 nan 0.000 0.499 101 V N 1.523 121.180 119.914 -0.429 0.000 3.563 101 V HA 0.196 4.316 4.120 -0.000 0.000 0.299 101 V C 0.517 176.475 176.094 -0.226 0.000 1.290 101 V CA -0.540 61.534 62.300 -0.377 0.000 1.201 101 V CB -0.882 30.596 31.823 -0.575 0.000 1.045 101 V HN 0.285 nan 8.190 nan 0.000 0.425 102 S N 2.889 118.522 115.700 -0.111 0.000 2.498 102 S HA 0.325 4.795 4.470 -0.000 0.000 0.281 102 S C 0.893 175.482 174.600 -0.017 0.000 1.265 102 S CA 0.374 58.572 58.200 -0.004 0.000 1.071 102 S CB 0.402 63.626 63.200 0.040 0.000 0.894 102 S HN 0.891 nan 8.310 nan 0.000 0.491 103 T N 0.929 115.483 114.554 -0.001 0.000 2.824 103 T HA 0.356 4.706 4.350 -0.000 0.000 0.277 103 T C 1.002 175.818 174.700 0.193 0.000 0.975 103 T CA -0.804 61.366 62.100 0.117 0.000 0.966 103 T CB 0.159 69.140 68.868 0.189 0.000 1.054 103 T HN 0.370 nan 8.240 nan 0.000 0.533 104 F N 2.203 122.266 119.950 0.189 0.000 2.053 104 F HA -0.319 4.208 4.527 -0.000 0.000 0.295 104 F C 2.064 177.971 175.800 0.178 0.000 1.102 104 F CA 2.778 60.914 58.000 0.226 0.000 1.225 104 F CB -0.511 38.697 39.000 0.346 0.000 0.961 104 F HN 0.798 nan 8.300 nan 0.000 0.495 105 D N -0.227 120.264 120.400 0.152 0.000 2.347 105 D HA -0.103 4.536 4.640 -0.000 0.000 0.213 105 D C 1.923 178.272 176.300 0.083 0.000 0.985 105 D CA 0.837 54.878 54.000 0.069 0.000 0.879 105 D CB -0.877 40.128 40.800 0.342 0.000 0.919 105 D HN 0.500 nan 8.370 nan 0.000 0.526 106 I N 0.616 121.180 120.570 -0.010 0.000 3.646 106 I HA 0.091 4.261 4.170 -0.000 0.000 0.301 106 I C 1.401 177.431 176.117 -0.146 0.000 1.276 106 I CA 0.449 61.619 61.300 -0.216 0.000 1.254 106 I CB -0.432 37.311 38.000 -0.429 0.000 1.020 106 I HN 0.133 nan 8.210 nan 0.000 0.473 107 G N 2.352 111.080 108.800 -0.120 0.000 2.179 107 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 107 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 107 G C 0.562 175.437 174.900 -0.042 0.000 1.010 107 G CA 0.050 45.100 45.100 -0.085 0.000 0.736 107 G HN 0.535 nan 8.290 nan 0.000 0.513 108 R N 0.480 120.963 120.500 -0.028 0.000 2.481 108 R HA 0.126 4.466 4.340 -0.000 0.000 0.291 108 R C -0.982 175.338 176.300 0.035 0.000 0.934 108 R CA 0.885 56.993 56.100 0.013 0.000 1.116 108 R CB 0.210 30.540 30.300 0.049 0.000 0.895 108 R HN 0.154 nan 8.270 nan 0.000 0.410 109 D N 5.243 125.658 120.400 0.025 0.000 2.408 109 D HA 0.040 4.679 4.640 -0.000 0.000 0.261 109 D C 1.195 177.514 176.300 0.033 0.000 1.190 109 D CA -0.542 53.479 54.000 0.034 0.000 0.910 109 D CB 1.419 42.227 40.800 0.014 0.000 1.097 109 D HN 0.362 nan 8.370 nan 0.000 0.522 110 V N 1.826 121.768 119.914 0.047 0.000 2.594 110 V HA -0.117 4.003 4.120 -0.000 0.000 0.253 110 V C 2.092 178.204 176.094 0.029 0.000 1.069 110 V CA 1.751 64.073 62.300 0.037 0.000 1.082 110 V CB -0.647 31.200 31.823 0.040 0.000 0.680 110 V HN 0.397 nan 8.190 nan 0.000 0.469 111 S N 0.659 116.378 115.700 0.032 0.000 2.359 111 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 111 S C 1.872 176.482 174.600 0.017 0.000 1.035 111 S CA 2.122 60.337 58.200 0.024 0.000 1.018 111 S CB -0.514 62.703 63.200 0.028 0.000 0.876 111 S HN 0.657 nan 8.310 nan 0.000 0.448 112 L N 1.169 122.400 121.223 0.013 0.000 2.046 112 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 112 L C 1.973 178.850 176.870 0.012 0.000 1.077 112 L CA 1.537 56.380 54.840 0.005 0.000 0.747 112 L CB -0.740 41.313 42.059 -0.009 0.000 0.896 112 L HN 0.278 nan 8.230 nan 0.000 0.432 113 L N 0.113 121.348 121.223 0.020 0.000 2.013 113 L HA -0.201 4.138 4.340 -0.000 0.000 0.212 113 L C 2.735 179.619 176.870 0.023 0.000 1.073 113 L CA 2.181 57.038 54.840 0.028 0.000 0.753 113 L CB -1.656 40.420 42.059 0.029 0.000 0.890 113 L HN 0.368 nan 8.230 nan 0.000 0.432 114 A N -1.029 121.802 122.820 0.018 0.000 1.902 114 A HA -0.269 4.050 4.320 -0.000 0.000 0.217 114 A C 2.347 179.936 177.584 0.008 0.000 1.181 114 A CA 1.804 53.850 52.037 0.015 0.000 0.623 114 A CB -0.632 18.376 19.000 0.013 0.000 0.818 114 A HN 0.519 nan 8.150 nan 0.000 0.443 115 E N 0.083 120.286 120.200 0.005 0.000 2.038 115 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 115 E C 1.988 178.582 176.600 -0.010 0.000 1.000 115 E CA 2.326 58.725 56.400 -0.002 0.000 0.803 115 E CB -0.249 29.449 29.700 -0.003 0.000 0.750 115 E HN 0.553 nan 8.360 nan 0.000 0.448 116 V N -1.111 118.797 119.914 -0.010 0.000 2.548 116 V HA -0.126 3.993 4.120 -0.000 0.000 0.249 116 V C 2.347 178.430 176.094 -0.019 0.000 1.055 116 V CA 1.840 64.125 62.300 -0.024 0.000 1.065 116 V CB -0.530 31.276 31.823 -0.029 0.000 0.681 116 V HN 0.264 nan 8.190 nan 0.000 0.462 117 S N 0.834 116.534 115.700 -0.001 0.000 2.353 117 S HA -0.260 4.210 4.470 -0.000 0.000 0.222 117 S C 2.238 176.826 174.600 -0.019 0.000 1.035 117 S CA 2.123 60.323 58.200 -0.000 0.000 1.025 117 S CB -0.397 62.817 63.200 0.023 0.000 0.902 117 S HN 0.695 nan 8.310 nan 0.000 0.440 118 R N 0.775 121.267 120.500 -0.012 0.000 2.082 118 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 118 R C 2.733 179.015 176.300 -0.029 0.000 1.136 118 R CA 1.577 57.667 56.100 -0.017 0.000 0.935 118 R CB -0.791 29.503 30.300 -0.009 0.000 0.842 118 R HN 0.522 nan 8.270 nan 0.000 0.430 119 A N 0.716 123.518 122.820 -0.030 0.000 1.933 119 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 119 A C 2.155 179.710 177.584 -0.048 0.000 1.175 119 A CA 1.760 53.774 52.037 -0.037 0.000 0.628 119 A CB -0.433 18.543 19.000 -0.039 0.000 0.814 119 A HN 0.434 nan 8.150 nan 0.000 0.444 120 A N -1.707 121.081 122.820 -0.054 0.000 2.267 120 A HA 0.338 4.658 4.320 -0.000 0.000 0.213 120 A C 0.736 178.280 177.584 -0.068 0.000 1.192 120 A CA 1.004 53.003 52.037 -0.063 0.000 0.851 120 A CB -0.159 18.800 19.000 -0.069 0.000 0.881 120 A HN 0.511 nan 8.150 nan 0.000 0.494 121 D N -0.811 119.546 120.400 -0.073 0.000 2.697 121 D HA -0.127 4.513 4.640 -0.000 0.000 0.238 121 D C -0.770 175.435 176.300 -0.159 0.000 1.152 121 D CA 0.903 54.838 54.000 -0.107 0.000 0.666 121 D CB -1.493 39.252 40.800 -0.091 0.000 1.037 121 D HN 0.200 nan 8.370 nan 0.000 0.423 122 V N 2.497 122.327 119.914 -0.140 0.000 2.588 122 V HA 0.333 4.452 4.120 -0.000 0.000 0.304 122 V C 0.385 176.412 176.094 -0.112 0.000 1.042 122 V CA -0.977 61.239 62.300 -0.140 0.000 0.877 122 V CB 1.978 33.780 31.823 -0.037 0.000 0.996 122 V HN 0.230 nan 8.190 nan 0.000 0.425 123 H N 4.593 123.680 119.070 0.028 0.000 2.764 123 H HA 0.457 5.012 4.556 -0.000 0.000 0.341 123 H C -0.416 174.930 175.328 0.030 0.000 1.072 123 H CA 0.281 56.344 56.048 0.024 0.000 1.444 123 H CB 1.094 30.871 29.762 0.025 0.000 1.458 123 H HN 0.433 nan 8.280 nan 0.000 0.572 124 I N 3.307 123.965 120.570 0.146 0.000 2.447 124 I HA 0.110 4.279 4.170 -0.000 0.000 0.287 124 I C -0.195 175.955 176.117 0.054 0.000 1.023 124 I CA -0.850 60.502 61.300 0.087 0.000 1.083 124 I CB 2.015 40.053 38.000 0.064 0.000 1.245 124 I HN 0.124 nan 8.210 nan 0.000 0.434 125 V N 5.629 125.562 119.914 0.031 0.000 2.461 125 V HA 0.492 4.611 4.120 -0.000 0.000 0.275 125 V C 0.737 176.818 176.094 -0.022 0.000 1.047 125 V CA -0.387 61.910 62.300 -0.005 0.000 0.955 125 V CB 1.219 33.031 31.823 -0.017 0.000 0.988 125 V HN 0.844 nan 8.190 nan 0.000 0.471 126 A N 4.380 127.184 122.820 -0.027 0.000 2.271 126 A HA 0.900 5.220 4.320 -0.000 0.000 0.288 126 A C 0.224 177.773 177.584 -0.058 0.000 1.094 126 A CA -0.047 51.970 52.037 -0.034 0.000 0.828 126 A CB 0.930 19.920 19.000 -0.016 0.000 1.091 126 A HN 1.274 nan 8.150 nan 0.000 0.493 127 A N 0.017 122.801 122.820 -0.061 0.000 2.374 127 A HA 0.752 5.072 4.320 -0.000 0.000 0.317 127 A C 0.120 177.658 177.584 -0.077 0.000 1.094 127 A CA -0.000 51.985 52.037 -0.086 0.000 0.765 127 A CB 1.320 20.259 19.000 -0.102 0.000 1.268 127 A HN 1.081 nan 8.150 nan 0.000 0.438 128 T N -0.392 114.079 114.554 -0.139 0.000 2.864 128 T HA 0.798 5.148 4.350 -0.000 0.000 0.276 128 T C 0.503 175.018 174.700 -0.307 0.000 1.006 128 T CA 0.911 62.901 62.100 -0.183 0.000 0.970 128 T CB 0.893 69.608 68.868 -0.255 0.000 1.420 128 T HN 2.645 nan 8.240 nan 0.000 0.601 129 G N -0.396 108.043 108.800 -0.602 0.000 2.483 129 G HA2 0.113 4.073 3.960 -0.000 0.000 0.521 129 G HA3 0.113 4.073 3.960 -0.000 0.000 0.521 129 G C -1.850 173.033 174.900 -0.028 0.000 1.278 129 G CA -0.412 44.206 45.100 -0.804 0.000 0.965 129 G HN 0.852 nan 8.290 nan 0.000 0.504 130 L N -1.259 120.045 121.223 0.134 0.000 2.445 130 L HA 0.707 5.047 4.340 -0.000 0.000 0.262 130 L C -0.023 177.003 176.870 0.260 0.000 0.974 130 L CA -0.758 54.290 54.840 0.347 0.000 0.822 130 L CB 2.301 44.662 42.059 0.503 0.000 1.339 130 L HN 0.856 nan 8.230 nan 0.000 0.409 131 W N 1.488 122.813 121.300 0.041 0.000 2.537 131 W HA 0.413 5.073 4.660 -0.000 0.000 0.591 131 W C 0.570 177.003 176.519 -0.143 0.000 1.460 131 W CA -0.122 57.124 57.345 -0.164 0.000 1.308 131 W CB 0.184 29.607 29.460 -0.062 0.000 3.071 131 W HN 0.287 nan 8.180 nan 0.000 0.738 132 F N 0.745 120.320 119.950 -0.624 0.000 2.811 132 F HA 0.061 4.587 4.527 -0.000 0.000 0.301 132 F C 1.035 176.648 175.800 -0.310 0.000 1.151 132 F CA 0.528 58.133 58.000 -0.658 0.000 1.412 132 F CB 0.072 38.345 39.000 -1.212 0.000 1.113 132 F HN 0.001 nan 8.300 nan 0.000 0.579 133 D N 0.436 120.910 120.400 0.123 0.000 2.980 133 D HA 0.154 4.794 4.640 -0.000 0.000 0.333 133 D C -2.565 173.853 176.300 0.197 0.000 1.356 133 D CA -2.136 51.966 54.000 0.169 0.000 0.847 133 D CB 0.252 41.212 40.800 0.268 0.000 1.122 133 D HN -0.072 nan 8.370 nan 0.000 0.475 134 P HA 0.208 nan 4.420 nan 0.000 0.271 134 P C -2.556 174.783 177.300 0.065 0.000 1.220 134 P CA -1.044 62.160 63.100 0.173 0.000 0.768 134 P CB 0.839 32.611 31.700 0.120 0.000 0.848 135 P HA 0.184 nan 4.420 nan 0.000 0.277 135 P C 1.307 178.592 177.300 -0.026 0.000 1.271 135 P CA -0.464 62.673 63.100 0.061 0.000 0.795 135 P CB 1.060 32.841 31.700 0.135 0.000 1.101 136 L N 0.010 121.211 121.223 -0.037 0.000 2.081 136 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 136 L C 2.502 179.324 176.870 -0.080 0.000 1.080 136 L CA 1.902 56.697 54.840 -0.075 0.000 0.754 136 L CB -0.965 41.068 42.059 -0.045 0.000 0.893 136 L HN 0.375 nan 8.230 nan 0.000 0.433 137 S N -1.143 114.529 115.700 -0.046 0.000 2.447 137 S HA -0.080 4.389 4.470 -0.000 0.000 0.233 137 S C 1.869 176.402 174.600 -0.112 0.000 1.006 137 S CA 0.975 59.135 58.200 -0.066 0.000 0.957 137 S CB -0.012 63.159 63.200 -0.048 0.000 0.773 137 S HN 0.290 nan 8.310 nan 0.000 0.507 138 M N 0.701 120.239 119.600 -0.104 0.000 2.412 138 M HA 0.186 4.666 4.480 -0.000 0.000 0.263 138 M C 1.952 178.174 176.300 -0.130 0.000 1.122 138 M CA 0.913 56.163 55.300 -0.083 0.000 1.179 138 M CB -0.973 31.634 32.600 0.011 0.000 1.335 138 M HN 0.183 nan 8.290 nan 0.000 0.465 139 R N 0.220 120.471 120.500 -0.415 0.000 2.159 139 R HA -0.051 4.289 4.340 -0.000 0.000 0.237 139 R C 1.755 177.825 176.300 -0.383 0.000 1.131 139 R CA 0.871 56.440 56.100 -0.885 0.000 0.982 139 R CB -0.219 29.713 30.300 -0.613 0.000 0.868 139 R HN 0.283 nan 8.270 nan 0.000 0.453 140 L N 0.756 121.886 121.223 -0.156 0.000 2.591 140 L HA 0.061 4.401 4.340 -0.000 0.000 0.228 140 L C 0.601 177.483 176.870 0.020 0.000 1.133 140 L CA 0.613 55.423 54.840 -0.050 0.000 0.880 140 L CB -0.331 41.697 42.059 -0.052 0.000 1.033 140 L HN 0.050 nan 8.230 nan 0.000 0.450 141 R N 0.555 121.098 120.500 0.071 0.000 2.490 141 R HA 0.220 4.560 4.340 -0.000 0.000 0.278 141 R C 0.689 177.053 176.300 0.107 0.000 1.069 141 R CA -0.067 56.074 56.100 0.069 0.000 1.080 141 R CB 1.045 31.366 30.300 0.033 0.000 1.030 141 R HN 0.111 nan 8.270 nan 0.000 0.491 142 S N -0.204 115.518 115.700 0.036 0.000 2.655 142 S HA 0.051 4.521 4.470 -0.000 0.000 0.265 142 S C 1.310 175.896 174.600 -0.023 0.000 1.240 142 S CA -0.683 57.528 58.200 0.018 0.000 0.986 142 S CB 1.102 64.302 63.200 0.000 0.000 0.985 142 S HN 0.393 nan 8.310 nan 0.000 0.562 143 V N 1.096 120.988 119.914 -0.036 0.000 2.392 143 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 143 V C 2.425 178.475 176.094 -0.075 0.000 1.059 143 V CA 2.362 64.622 62.300 -0.068 0.000 1.051 143 V CB -1.074 30.723 31.823 -0.043 0.000 0.658 143 V HN 0.956 nan 8.190 nan 0.000 0.455 144 E N -0.583 119.588 120.200 -0.048 0.000 2.106 144 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 144 E C 2.168 178.731 176.600 -0.062 0.000 0.984 144 E CA 1.500 57.873 56.400 -0.046 0.000 0.806 144 E CB -0.085 29.599 29.700 -0.026 0.000 0.750 144 E HN 0.718 nan 8.360 nan 0.000 0.458 145 E N 0.670 120.833 120.200 -0.062 0.000 2.072 145 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 145 E C 2.202 178.734 176.600 -0.113 0.000 0.985 145 E CA 0.624 56.985 56.400 -0.065 0.000 0.801 145 E CB 0.004 29.674 29.700 -0.049 0.000 0.750 145 E HN 0.207 nan 8.360 nan 0.000 0.452 146 L N 0.722 121.830 121.223 -0.191 0.000 2.046 146 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 146 L C 2.544 179.038 176.870 -0.625 0.000 1.077 146 L CA 1.232 55.805 54.840 -0.445 0.000 0.747 146 L CB -0.689 41.068 42.059 -0.503 0.000 0.896 146 L HN 0.193 nan 8.230 nan 0.000 0.432 147 T N -0.926 113.430 114.554 -0.330 0.000 2.720 147 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 147 T C 1.896 176.537 174.700 -0.099 0.000 1.037 147 T CA 1.366 63.357 62.100 -0.180 0.000 1.144 147 T CB -0.203 68.627 68.868 -0.064 0.000 0.864 147 T HN 0.390 nan 8.240 nan 0.000 0.444 148 Q N -0.264 119.492 119.800 -0.073 0.000 2.084 148 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 148 Q C 2.053 178.066 176.000 0.021 0.000 0.978 148 Q CA 1.371 57.162 55.803 -0.019 0.000 0.844 148 Q CB -0.331 28.398 28.738 -0.014 0.000 0.898 148 Q HN 0.515 nan 8.270 nan 0.000 0.426 149 F N 0.547 120.413 119.950 -0.139 0.000 2.102 149 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 149 F C 1.634 177.506 175.800 0.121 0.000 1.105 149 F CA 1.183 59.143 58.000 -0.066 0.000 1.239 149 F CB -0.210 38.710 39.000 -0.134 0.000 0.991 149 F HN -0.030 nan 8.300 nan 0.000 0.474 150 F N 0.615 120.463 119.950 -0.169 0.000 2.134 150 F HA -0.166 4.360 4.527 -0.000 0.000 0.299 150 F C 2.406 178.083 175.800 -0.206 0.000 1.097 150 F CA 0.943 58.794 58.000 -0.249 0.000 1.264 150 F CB -1.630 37.331 39.000 -0.065 0.000 1.001 150 F HN 0.028 nan 8.300 nan 0.000 0.479 151 L N -0.507 120.758 121.223 0.071 0.000 2.046 151 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 151 L C 2.771 179.637 176.870 -0.007 0.000 1.077 151 L CA 1.247 56.100 54.840 0.022 0.000 0.747 151 L CB -0.569 41.502 42.059 0.020 0.000 0.896 151 L HN 0.069 nan 8.230 nan 0.000 0.432 152 R N 0.683 121.160 120.500 -0.038 0.000 2.083 152 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 152 R C 1.975 178.274 176.300 -0.001 0.000 1.137 152 R CA 1.885 57.978 56.100 -0.013 0.000 0.951 152 R CB -0.167 30.108 30.300 -0.041 0.000 0.851 152 R HN 0.469 nan 8.270 nan 0.000 0.434 153 E N -0.128 119.981 120.200 -0.152 0.000 2.208 153 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 153 E C 2.041 178.600 176.600 -0.067 0.000 0.988 153 E CA 1.016 57.337 56.400 -0.130 0.000 0.828 153 E CB 0.019 29.551 29.700 -0.280 0.000 0.763 153 E HN 0.465 nan 8.360 nan 0.000 0.478 154 I N 0.630 121.165 120.570 -0.058 0.000 2.339 154 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 154 I C 2.321 178.426 176.117 -0.020 0.000 1.096 154 I CA 1.058 62.331 61.300 -0.046 0.000 1.408 154 I CB 0.009 37.982 38.000 -0.046 0.000 1.092 154 I HN 0.006 nan 8.210 nan 0.000 0.423 155 Q N -1.050 118.758 119.800 0.014 0.000 2.324 155 Q HA -0.060 4.280 4.340 -0.000 0.000 0.207 155 Q C 1.758 177.798 176.000 0.068 0.000 0.928 155 Q CA 0.861 56.683 55.803 0.031 0.000 0.890 155 Q CB 0.231 28.993 28.738 0.040 0.000 1.001 155 Q HN 0.466 nan 8.270 nan 0.000 0.517 156 Y N -0.055 120.227 120.300 -0.031 0.000 2.265 156 Y HA 0.337 4.886 4.550 -0.000 0.000 0.290 156 Y C 0.649 176.538 175.900 -0.018 0.000 1.137 156 Y CA 1.401 59.489 58.100 -0.020 0.000 1.147 156 Y CB 0.713 39.166 38.460 -0.013 0.000 1.104 156 Y HN 0.023 nan 8.280 nan 0.000 0.514 157 G N -0.018 108.827 108.800 0.074 0.000 2.350 157 G HA2 0.185 4.145 3.960 -0.000 0.000 0.304 157 G HA3 0.185 4.145 3.960 -0.000 0.000 0.304 157 G C -1.994 172.968 174.900 0.104 0.000 1.421 157 G CA -0.690 44.398 45.100 -0.019 0.000 0.934 157 G HN 0.179 nan 8.290 nan 0.000 0.632 158 I N 1.870 122.474 120.570 0.057 0.000 2.342 158 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 158 I C 0.996 177.192 176.117 0.132 0.000 1.010 158 I CA 0.052 61.409 61.300 0.094 0.000 1.308 158 I CB 1.037 39.079 38.000 0.071 0.000 1.400 158 I HN 0.949 nan 8.210 nan 0.000 0.488 159 E N 3.599 123.910 120.200 0.185 0.000 3.304 159 E HA -0.326 4.024 4.350 -0.000 0.000 0.365 159 E C 0.026 176.735 176.600 0.182 0.000 1.512 159 E CA 1.851 58.362 56.400 0.186 0.000 1.642 159 E CB -0.450 29.349 29.700 0.166 0.000 1.738 159 E HN 0.929 nan 8.360 nan 0.000 0.483 160 D N 0.118 120.599 120.400 0.135 0.000 2.559 160 D HA 0.063 4.703 4.640 -0.000 0.000 0.234 160 D C 0.877 177.211 176.300 0.056 0.000 1.226 160 D CA 0.846 54.915 54.000 0.115 0.000 0.830 160 D CB -0.083 40.780 40.800 0.104 0.000 1.028 160 D HN 0.410 nan 8.370 nan 0.000 0.492 161 T N -4.545 110.033 114.554 0.042 0.000 3.037 161 T HA 0.303 4.652 4.350 -0.000 0.000 0.251 161 T C 1.836 176.520 174.700 -0.028 0.000 1.079 161 T CA 0.660 62.768 62.100 0.014 0.000 1.067 161 T CB -0.126 68.758 68.868 0.026 0.000 0.948 161 T HN 0.319 nan 8.240 nan 0.000 0.496 162 G N 1.547 110.304 108.800 -0.072 0.000 2.189 162 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.267 162 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.267 162 G C 0.064 174.906 174.900 -0.096 0.000 0.975 162 G CA 0.283 45.299 45.100 -0.139 0.000 0.644 162 G HN 0.675 nan 8.290 nan 0.000 0.537 163 I N 1.363 121.903 120.570 -0.050 0.000 2.416 163 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 163 I C 1.019 177.115 176.117 -0.035 0.000 1.051 163 I CA -0.316 60.964 61.300 -0.033 0.000 1.375 163 I CB 0.643 38.638 38.000 -0.008 0.000 1.407 163 I HN 0.041 nan 8.210 nan 0.000 0.516 164 R N 5.098 125.571 120.500 -0.044 0.000 2.407 164 R HA 0.656 4.995 4.340 -0.000 0.000 0.303 164 R C -0.289 175.983 176.300 -0.047 0.000 0.981 164 R CA -0.838 55.234 56.100 -0.046 0.000 0.905 164 R CB 1.664 31.932 30.300 -0.055 0.000 1.099 164 R HN 0.700 nan 8.270 nan 0.000 0.459 165 A N 1.196 123.983 122.820 -0.055 0.000 2.462 165 A HA 0.328 4.648 4.320 -0.000 0.000 0.243 165 A C 1.031 178.567 177.584 -0.081 0.000 1.076 165 A CA 0.103 52.098 52.037 -0.069 0.000 0.773 165 A CB 0.372 19.318 19.000 -0.090 0.000 1.010 165 A HN 0.940 nan 8.150 nan 0.000 0.493 166 G N 0.567 109.315 108.800 -0.087 0.000 3.324 166 G HA2 0.460 4.420 3.960 -0.000 0.000 0.251 166 G HA3 0.460 4.420 3.960 -0.000 0.000 0.251 166 G C -0.011 174.806 174.900 -0.137 0.000 1.072 166 G CA 0.322 45.359 45.100 -0.104 0.000 0.787 166 G HN 0.722 nan 8.290 nan 0.000 0.537 167 I N -0.514 119.975 120.570 -0.136 0.000 3.066 167 I HA 0.533 4.703 4.170 -0.000 0.000 0.307 167 I C -1.479 174.542 176.117 -0.160 0.000 1.366 167 I CA -1.159 60.047 61.300 -0.156 0.000 0.972 167 I CB 2.387 40.318 38.000 -0.115 0.000 1.307 167 I HN -0.094 nan 8.210 nan 0.000 0.470 171 A N 0.778 123.551 122.820 -0.078 0.000 2.566 171 A HA 1.039 5.358 4.320 -0.000 0.000 0.297 171 A C -0.419 177.061 177.584 -0.174 0.000 1.059 171 A CA -0.000 51.896 52.037 -0.235 0.000 0.691 171 A CB 1.772 20.182 19.000 -0.984 0.000 1.282 171 A HN 2.598 nan 8.150 nan 0.000 0.401 172 T N -1.814 112.819 114.554 0.131 0.000 2.896 172 T HA 0.765 5.115 4.350 -0.000 0.000 0.297 172 T C -0.532 174.488 174.700 0.532 0.000 1.108 172 T CA -0.326 61.945 62.100 0.285 0.000 1.004 172 T CB 1.986 70.940 68.868 0.144 0.000 1.159 172 T HN 1.412 nan 8.240 nan 0.000 0.499 173 T N 0.831 115.611 114.554 0.377 0.000 3.209 173 T HA 0.617 4.966 4.350 -0.000 0.000 0.366 173 T C 0.496 175.247 174.700 0.086 0.000 1.293 173 T CA 0.940 63.167 62.100 0.212 0.000 1.417 173 T CB -0.912 67.956 68.868 -0.001 0.000 1.013 173 T HN 1.941 nan 8.240 nan 0.000 0.572 174 G N 3.138 111.987 108.800 0.081 0.000 2.587 174 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.212 174 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.212 174 G C -0.419 174.503 174.900 0.036 0.000 1.327 174 G CA -0.408 44.711 45.100 0.032 0.000 0.898 174 G HN 0.833 nan 8.290 nan 0.000 0.551 175 K N 0.729 121.137 120.400 0.014 0.000 2.524 175 K HA 0.457 4.776 4.320 -0.000 0.000 0.279 175 K C 0.947 177.561 176.600 0.024 0.000 0.993 175 K CA 0.406 56.698 56.287 0.009 0.000 1.030 175 K CB 0.107 32.607 32.500 0.001 0.000 0.891 175 K HN 1.629 nan 8.250 nan 0.000 0.488 176 A N 3.835 126.663 122.820 0.014 0.000 2.511 176 A HA 0.074 4.394 4.320 -0.000 0.000 0.242 176 A C 0.417 178.022 177.584 0.035 0.000 1.069 176 A CA 0.215 52.266 52.037 0.022 0.000 0.763 176 A CB -0.146 18.843 19.000 -0.018 0.000 1.001 176 A HN 0.888 nan 8.150 nan 0.000 0.498 177 T N 1.053 115.646 114.554 0.065 0.000 2.802 177 T HA 0.302 4.652 4.350 -0.000 0.000 0.305 177 T C -1.715 173.029 174.700 0.073 0.000 1.053 177 T CA -0.872 61.275 62.100 0.078 0.000 1.058 177 T CB 0.337 69.277 68.868 0.120 0.000 0.988 177 T HN 0.365 nan 8.240 nan 0.000 0.539 178 P HA -0.083 nan 4.420 nan 0.000 0.216 178 P C 1.202 178.564 177.300 0.103 0.000 1.153 178 P CA 0.819 63.964 63.100 0.075 0.000 0.858 178 P CB -0.137 31.612 31.700 0.081 0.000 0.789 179 F N 0.435 120.397 119.950 0.020 0.000 2.134 179 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 179 F C 2.200 178.023 175.800 0.039 0.000 1.097 179 F CA 1.622 59.638 58.000 0.027 0.000 1.264 179 F CB -0.886 38.133 39.000 0.031 0.000 1.001 179 F HN -0.109 nan 8.300 nan 0.000 0.479 180 Q N 0.017 119.821 119.800 0.007 0.000 2.170 180 Q HA -0.213 4.127 4.340 -0.000 0.000 0.203 180 Q C 2.112 178.040 176.000 -0.120 0.000 0.976 180 Q CA 1.866 57.623 55.803 -0.077 0.000 0.858 180 Q CB -0.275 28.480 28.738 0.029 0.000 0.907 180 Q HN 0.558 nan 8.270 nan 0.000 0.433 181 E N 0.485 120.635 120.200 -0.084 0.000 2.058 181 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 181 E C 2.052 178.588 176.600 -0.106 0.000 0.997 181 E CA 0.964 57.314 56.400 -0.084 0.000 0.801 181 E CB -0.138 29.533 29.700 -0.048 0.000 0.746 181 E HN 0.371 nan 8.360 nan 0.000 0.450 182 L N 0.637 121.760 121.223 -0.167 0.000 2.046 182 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 182 L C 2.570 179.319 176.870 -0.201 0.000 1.077 182 L CA 0.812 55.538 54.840 -0.190 0.000 0.747 182 L CB -0.583 41.325 42.059 -0.251 0.000 0.896 182 L HN 0.057 nan 8.230 nan 0.000 0.432 183 V N -0.155 119.567 119.914 -0.320 0.000 2.287 183 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 183 V C 2.464 178.631 176.094 0.122 0.000 1.053 183 V CA 1.482 63.728 62.300 -0.091 0.000 1.027 183 V CB -0.414 31.331 31.823 -0.130 0.000 0.646 183 V HN 0.251 nan 8.190 nan 0.000 0.447 184 L N -0.276 120.979 121.223 0.052 0.000 2.046 184 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 184 L C 2.353 179.360 176.870 0.229 0.000 1.077 184 L CA 1.800 56.732 54.840 0.153 0.000 0.747 184 L CB -1.009 40.993 42.059 -0.095 0.000 0.896 184 L HN 0.305 nan 8.230 nan 0.000 0.432 185 K N -0.909 119.554 120.400 0.104 0.000 2.025 185 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 185 K C 2.140 178.817 176.600 0.129 0.000 1.049 185 K CA 1.330 57.682 56.287 0.109 0.000 0.933 185 K CB -0.353 32.169 32.500 0.037 0.000 0.714 185 K HN 0.293 nan 8.250 nan 0.000 0.438 186 A N 1.573 124.458 122.820 0.109 0.000 1.933 186 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 186 A C 2.375 180.148 177.584 0.315 0.000 1.175 186 A CA 1.876 53.983 52.037 0.117 0.000 0.628 186 A CB -0.720 18.232 19.000 -0.081 0.000 0.814 186 A HN 0.342 nan 8.150 nan 0.000 0.444 187 A N -0.076 122.995 122.820 0.418 0.000 1.877 187 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 187 A C 2.528 180.203 177.584 0.151 0.000 1.186 187 A CA 2.152 54.366 52.037 0.295 0.000 0.620 187 A CB -1.084 18.037 19.000 0.201 0.000 0.822 187 A HN 1.083 nan 8.150 nan 0.000 0.443 188 A N -0.129 122.802 122.820 0.184 0.000 1.908 188 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 188 A C 2.252 179.879 177.584 0.072 0.000 1.181 188 A CA 1.688 53.789 52.037 0.107 0.000 0.627 188 A CB -0.476 18.666 19.000 0.236 0.000 0.818 188 A HN 0.574 nan 8.150 nan 0.000 0.445 189 R N -0.571 119.987 120.500 0.096 0.000 2.073 189 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 189 R C 2.497 178.829 176.300 0.054 0.000 1.134 189 R CA 1.227 57.365 56.100 0.063 0.000 0.952 189 R CB -0.498 29.835 30.300 0.055 0.000 0.850 189 R HN 0.500 nan 8.270 nan 0.000 0.433 190 A N 0.368 123.244 122.820 0.092 0.000 1.933 190 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 190 A C 2.194 179.788 177.584 0.017 0.000 1.175 190 A CA 1.852 53.937 52.037 0.080 0.000 0.628 190 A CB -0.590 18.515 19.000 0.175 0.000 0.814 190 A HN 0.315 nan 8.150 nan 0.000 0.444 191 S N -0.644 115.052 115.700 -0.007 0.000 2.368 191 S HA -0.054 4.416 4.470 -0.000 0.000 0.224 191 S C 1.872 176.440 174.600 -0.053 0.000 1.029 191 S CA 1.287 59.450 58.200 -0.063 0.000 0.988 191 S CB -0.430 62.704 63.200 -0.111 0.000 0.838 191 S HN 0.489 nan 8.310 nan 0.000 0.462 192 L N 0.803 122.010 121.223 -0.027 0.000 2.201 192 L HA 0.033 4.373 4.340 -0.000 0.000 0.212 192 L C 2.623 179.481 176.870 -0.019 0.000 1.105 192 L CA 1.057 55.884 54.840 -0.022 0.000 0.775 192 L CB -0.394 41.663 42.059 -0.003 0.000 0.913 192 L HN 0.419 nan 8.230 nan 0.000 0.440 193 A N -1.099 121.714 122.820 -0.012 0.000 2.132 193 A HA -0.053 4.267 4.320 -0.000 0.000 0.213 193 A C 2.092 179.664 177.584 -0.020 0.000 1.154 193 A CA 1.451 53.482 52.037 -0.011 0.000 0.753 193 A CB -0.331 18.669 19.000 0.000 0.000 0.826 193 A HN 0.462 nan 8.150 nan 0.000 0.469 194 T N -6.993 107.541 114.554 -0.033 0.000 2.966 194 T HA 0.422 4.772 4.350 -0.000 0.000 0.254 194 T C 1.492 176.153 174.700 -0.064 0.000 0.961 194 T CA 1.106 63.179 62.100 -0.044 0.000 0.915 194 T CB 0.263 69.103 68.868 -0.046 0.000 1.186 194 T HN 1.595 nan 8.240 nan 0.000 0.505 195 G N 1.762 110.516 108.800 -0.077 0.000 2.205 195 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.261 195 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.261 195 G C 0.263 175.076 174.900 -0.144 0.000 0.980 195 G CA 0.356 45.396 45.100 -0.101 0.000 0.632 195 G HN 1.646 nan 8.290 nan 0.000 0.533 196 V N -0.511 119.316 119.914 -0.145 0.000 2.715 196 V HA 0.690 4.810 4.120 -0.000 0.000 0.299 196 V C -1.026 174.919 176.094 -0.250 0.000 1.054 196 V CA -1.435 60.747 62.300 -0.196 0.000 1.077 196 V CB 1.207 32.933 31.823 -0.162 0.000 0.972 196 V HN 0.256 nan 8.190 nan 0.000 0.484 197 P HA 0.406 nan 4.420 nan 0.000 0.278 197 P C -0.814 176.311 177.300 -0.291 0.000 1.266 197 P CA -0.468 62.356 63.100 -0.459 0.000 0.807 197 P CB 1.522 32.565 31.700 -1.094 0.000 1.094 198 V N 0.062 119.863 119.914 -0.188 0.000 2.513 198 V HA 0.519 4.638 4.120 -0.000 0.000 0.299 198 V C 0.461 176.603 176.094 0.080 0.000 1.035 198 V CA -0.190 62.039 62.300 -0.118 0.000 0.889 198 V CB 1.491 33.133 31.823 -0.301 0.000 0.988 198 V HN 0.670 nan 8.190 nan 0.000 0.440 199 T N 2.715 117.328 114.554 0.099 0.000 2.893 199 T HA 0.700 5.050 4.350 -0.000 0.000 0.293 199 T C -0.416 174.358 174.700 0.123 0.000 1.027 199 T CA -0.175 62.020 62.100 0.158 0.000 0.988 199 T CB 1.605 70.580 68.868 0.179 0.000 1.043 199 T HN 1.027 nan 8.240 nan 0.000 0.461 200 T N 1.105 115.736 114.554 0.128 0.000 2.908 200 T HA 0.540 4.889 4.350 -0.000 0.000 0.290 200 T C -0.645 174.100 174.700 0.075 0.000 1.034 200 T CA -0.743 61.445 62.100 0.145 0.000 1.010 200 T CB 1.206 70.194 68.868 0.199 0.000 1.068 200 T HN 0.776 nan 8.240 nan 0.000 0.481 201 H N 1.260 120.348 119.070 0.031 0.000 2.527 201 H HA 0.589 5.145 4.556 -0.000 0.000 0.321 201 H C 0.185 175.594 175.328 0.134 0.000 1.087 201 H CA -0.181 55.884 56.048 0.028 0.000 1.337 201 H CB 0.906 30.863 29.762 0.325 0.000 1.440 201 H HN 0.998 nan 8.280 nan 0.000 0.490 202 T N 1.813 116.368 114.554 0.002 0.000 2.916 202 T HA 0.642 4.992 4.350 -0.000 0.000 0.292 202 T C -0.360 174.397 174.700 0.095 0.000 1.055 202 T CA -0.866 61.318 62.100 0.140 0.000 1.009 202 T CB 1.551 70.480 68.868 0.100 0.000 1.118 202 T HN 0.736 nan 8.240 nan 0.000 0.497 203 A N 1.151 124.063 122.820 0.154 0.000 2.506 203 A HA 0.687 5.007 4.320 -0.000 0.000 0.320 203 A C 1.607 179.205 177.584 0.023 0.000 1.424 203 A CA -0.237 51.847 52.037 0.078 0.000 1.044 203 A CB -0.770 18.275 19.000 0.075 0.000 1.140 203 A HN 1.321 nan 8.150 nan 0.000 0.538 204 A N 2.193 125.029 122.820 0.027 0.000 1.978 204 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 204 A C 2.436 179.947 177.584 -0.122 0.000 1.170 204 A CA 2.190 54.242 52.037 0.023 0.000 0.636 204 A CB -0.722 18.341 19.000 0.106 0.000 0.810 204 A HN 1.519 nan 8.150 nan 0.000 0.448 205 S N -0.814 114.840 115.700 -0.077 0.000 2.419 205 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 205 S C 1.578 176.093 174.600 -0.142 0.000 1.019 205 S CA 1.355 59.497 58.200 -0.097 0.000 0.982 205 S CB -0.317 62.854 63.200 -0.048 0.000 0.789 205 S HN 0.649 nan 8.310 nan 0.000 0.490 206 Q N 0.333 120.052 119.800 -0.135 0.000 2.319 206 Q HA 0.264 4.604 4.340 -0.000 0.000 0.202 206 Q C -0.223 175.650 176.000 -0.212 0.000 0.896 206 Q CA -0.151 55.573 55.803 -0.132 0.000 0.942 206 Q CB 0.173 28.874 28.738 -0.061 0.000 1.083 206 Q HN 0.594 nan 8.270 nan 0.000 0.510 207 R N 0.811 121.070 120.500 -0.401 0.000 3.525 207 R HA -0.173 4.167 4.340 -0.000 0.000 0.276 207 R C -0.087 176.111 176.300 -0.169 0.000 1.116 207 R CA 0.474 56.153 56.100 -0.701 0.000 0.745 207 R CB -1.482 28.402 30.300 -0.692 0.000 1.185 207 R HN 0.232 nan 8.270 nan 0.000 0.454 208 D N -0.098 120.275 120.400 -0.045 0.000 2.190 208 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 208 D C 2.037 178.375 176.300 0.063 0.000 0.992 208 D CA 1.784 55.802 54.000 0.030 0.000 0.854 208 D CB -0.333 40.509 40.800 0.070 0.000 0.936 208 D HN 0.621 nan 8.370 nan 0.000 0.462 209 G N 0.692 109.602 108.800 0.184 0.000 2.469 209 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 209 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 209 G C 1.483 176.368 174.900 -0.024 0.000 1.136 209 G CA 0.890 46.038 45.100 0.080 0.000 0.759 209 G HN 0.343 nan 8.290 nan 0.000 0.562 210 E N -0.349 119.906 120.200 0.092 0.000 2.047 210 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 210 E C 2.449 179.022 176.600 -0.045 0.000 0.987 210 E CA 1.064 57.472 56.400 0.015 0.000 0.799 210 E CB -0.207 29.537 29.700 0.074 0.000 0.752 210 E HN 0.592 nan 8.360 nan 0.000 0.449 211 Q N 0.841 120.613 119.800 -0.048 0.000 2.119 211 Q HA -0.223 4.116 4.340 -0.000 0.000 0.201 211 Q C 2.148 178.047 176.000 -0.168 0.000 0.972 211 Q CA 1.321 57.075 55.803 -0.082 0.000 0.847 211 Q CB 0.126 28.824 28.738 -0.067 0.000 0.903 211 Q HN 0.319 nan 8.270 nan 0.000 0.433 212 Q N -0.184 119.489 119.800 -0.212 0.000 2.050 212 Q HA -0.170 4.169 4.340 -0.000 0.000 0.202 212 Q C 2.149 177.856 176.000 -0.488 0.000 0.980 212 Q CA 1.421 56.952 55.803 -0.454 0.000 0.840 212 Q CB -0.250 28.313 28.738 -0.292 0.000 0.898 212 Q HN 0.475 nan 8.270 nan 0.000 0.424 213 A N 1.312 124.000 122.820 -0.219 0.000 1.892 213 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 213 A C 2.329 179.957 177.584 0.073 0.000 1.188 213 A CA 1.918 53.919 52.037 -0.060 0.000 0.631 213 A CB -0.990 17.808 19.000 -0.337 0.000 0.822 213 A HN 0.432 nan 8.150 nan 0.000 0.447 214 A N -0.263 122.544 122.820 -0.022 0.000 1.877 214 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 214 A C 2.160 179.743 177.584 -0.003 0.000 1.186 214 A CA 1.636 53.676 52.037 0.006 0.000 0.620 214 A CB -0.626 18.363 19.000 -0.018 0.000 0.822 214 A HN 0.514 nan 8.150 nan 0.000 0.443 215 I N -1.602 118.908 120.570 -0.101 0.000 2.202 215 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 215 I C 2.255 178.376 176.117 0.008 0.000 1.091 215 I CA 1.171 62.405 61.300 -0.109 0.000 1.368 215 I CB -0.423 37.434 38.000 -0.238 0.000 1.058 215 I HN 0.269 nan 8.210 nan 0.000 0.410 216 F N 1.361 121.353 119.950 0.071 0.000 2.091 216 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 216 F C 2.561 178.415 175.800 0.091 0.000 1.103 216 F CA 1.460 59.517 58.000 0.095 0.000 1.228 216 F CB -1.057 38.037 39.000 0.157 0.000 0.984 216 F HN 0.136 nan 8.300 nan 0.000 0.477 217 E N -0.351 120.024 120.200 0.293 0.000 2.152 217 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 217 E C 2.271 178.945 176.600 0.122 0.000 0.983 217 E CA 1.223 57.736 56.400 0.190 0.000 0.818 217 E CB -0.260 29.547 29.700 0.179 0.000 0.758 217 E HN 0.389 nan 8.360 nan 0.000 0.467 218 S N 0.900 116.662 115.700 0.103 0.000 2.469 218 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 218 S C 1.549 176.192 174.600 0.071 0.000 0.998 218 S CA 0.786 59.027 58.200 0.068 0.000 0.957 218 S CB 0.008 63.235 63.200 0.045 0.000 0.764 218 S HN 0.130 nan 8.310 nan 0.000 0.514 219 E N 0.589 120.851 120.200 0.102 0.000 2.479 219 E HA 0.213 4.563 4.350 -0.000 0.000 0.193 219 E C 1.378 178.025 176.600 0.079 0.000 1.049 219 E CA 0.535 56.991 56.400 0.094 0.000 0.870 219 E CB 0.123 29.901 29.700 0.129 0.000 0.944 219 E HN 0.719 nan 8.360 nan 0.000 0.492 220 G N 1.789 110.637 108.800 0.080 0.000 2.159 220 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 220 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 220 G C 0.104 175.031 174.900 0.045 0.000 0.977 220 G CA 0.303 45.436 45.100 0.054 0.000 0.652 220 G HN 0.247 nan 8.290 nan 0.000 0.531 221 L N 2.039 123.304 121.223 0.071 0.000 2.410 221 L HA 0.637 4.976 4.340 -0.000 0.000 0.273 221 L C 1.041 177.909 176.870 -0.003 0.000 1.152 221 L CA 0.468 55.322 54.840 0.024 0.000 0.855 221 L CB 1.206 43.277 42.059 0.020 0.000 1.129 221 L HN 0.340 nan 8.230 nan 0.000 0.463 222 S N 6.061 121.727 115.700 -0.056 0.000 2.533 222 S HA 0.251 4.721 4.470 -0.000 0.000 0.282 222 S C -1.548 172.941 174.600 -0.185 0.000 1.304 222 S CA -0.926 57.214 58.200 -0.100 0.000 1.063 222 S CB 0.717 63.862 63.200 -0.091 0.000 0.881 222 S HN 0.620 nan 8.310 nan 0.000 0.493 223 P HA -0.113 nan 4.420 nan 0.000 0.219 223 P C 1.466 178.503 177.300 -0.439 0.000 1.146 223 P CA 1.182 63.781 63.100 -0.835 0.000 0.808 223 P CB -0.073 30.818 31.700 -1.348 0.000 0.779 224 S N -1.208 114.350 115.700 -0.236 0.000 2.507 224 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 224 S C 1.439 176.042 174.600 0.005 0.000 0.988 224 S CA 0.600 58.749 58.200 -0.085 0.000 0.944 224 S CB -0.651 62.509 63.200 -0.066 0.000 0.762 224 S HN 0.031 nan 8.310 nan 0.000 0.526 225 R N 0.830 121.302 120.500 -0.047 0.000 2.507 225 R HA 0.447 4.787 4.340 -0.000 0.000 0.298 225 R C -0.719 175.598 176.300 0.028 0.000 0.999 225 R CA -0.073 55.990 56.100 -0.062 0.000 1.082 225 R CB 0.010 30.222 30.300 -0.147 0.000 1.246 225 R HN 0.361 nan 8.270 nan 0.000 0.553 226 V N 0.743 120.759 119.914 0.169 0.000 2.577 226 V HA 0.250 4.370 4.120 -0.000 0.000 0.303 226 V C -0.488 175.772 176.094 0.276 0.000 1.042 226 V CA -1.282 61.135 62.300 0.195 0.000 0.872 226 V CB 2.531 34.448 31.823 0.157 0.000 0.998 226 V HN 0.195 nan 8.190 nan 0.000 0.423 227 C N 7.117 126.534 119.300 0.194 0.000 2.281 227 C HA 0.585 5.045 4.460 -0.000 0.000 0.325 227 C C -0.020 174.996 174.990 0.042 0.000 1.282 227 C CA -0.648 58.333 59.018 -0.061 0.000 1.640 227 C CB -0.476 27.027 27.740 -0.395 0.000 2.288 227 C HN 0.702 nan 8.230 nan 0.000 0.507 228 I N 6.890 127.474 120.570 0.024 0.000 2.294 228 I HA 0.274 4.444 4.170 -0.000 0.000 0.295 228 I C 1.214 177.303 176.117 -0.048 0.000 1.098 228 I CA 0.573 61.876 61.300 0.005 0.000 1.277 228 I CB -0.160 37.801 38.000 -0.066 0.000 1.434 228 I HN 0.900 nan 8.210 nan 0.000 0.498 229 G N 4.683 113.443 108.800 -0.067 0.000 2.547 229 G HA2 0.296 4.256 3.960 -0.000 0.000 0.291 229 G HA3 0.296 4.256 3.960 -0.000 0.000 0.291 229 G C 0.166 174.935 174.900 -0.219 0.000 1.211 229 G CA -0.270 44.719 45.100 -0.186 0.000 0.950 229 G HN 0.757 nan 8.290 nan 0.000 0.504 230 H N -1.006 117.964 119.070 -0.167 0.000 2.655 230 H HA -0.140 4.416 4.556 -0.000 0.000 0.313 230 H C 1.609 176.875 175.328 -0.104 0.000 1.141 230 H CA 0.507 56.429 56.048 -0.209 0.000 1.138 230 H CB -1.787 27.790 29.762 -0.308 0.000 1.446 230 H HN 0.313 nan 8.280 nan 0.000 0.415 231 S N -0.038 115.678 115.700 0.026 0.000 2.593 231 S HA -0.048 4.422 4.470 -0.000 0.000 0.217 231 S C 1.602 176.230 174.600 0.046 0.000 0.966 231 S CA 0.482 58.711 58.200 0.047 0.000 0.914 231 S CB 0.277 63.466 63.200 -0.017 0.000 0.776 231 S HN 0.638 nan 8.310 nan 0.000 0.523 232 D N 0.707 121.122 120.400 0.024 0.000 2.347 232 D HA -0.053 4.587 4.640 -0.000 0.000 0.213 232 D C 0.395 176.715 176.300 0.032 0.000 0.985 232 D CA 0.299 54.316 54.000 0.029 0.000 0.879 232 D CB -0.302 40.513 40.800 0.025 0.000 0.919 232 D HN 0.164 nan 8.370 nan 0.000 0.526 233 D N 0.443 120.857 120.400 0.022 0.000 3.008 233 D HA 0.117 4.757 4.640 -0.000 0.000 0.242 233 D C -0.869 175.452 176.300 0.034 0.000 1.222 233 D CA 0.079 54.091 54.000 0.021 0.000 0.883 233 D CB -0.311 40.487 40.800 -0.004 0.000 1.110 233 D HN 0.011 nan 8.370 nan 0.000 0.455 234 T N -1.411 113.173 114.554 0.051 0.000 2.840 234 T HA 0.198 4.548 4.350 -0.000 0.000 0.317 234 T C -0.521 174.214 174.700 0.057 0.000 1.401 234 T CA -0.721 61.411 62.100 0.054 0.000 1.028 234 T CB 1.367 70.291 68.868 0.095 0.000 1.317 234 T HN -0.136 nan 8.240 nan 0.000 0.495 235 D N 1.202 121.630 120.400 0.046 0.000 2.398 235 D HA 0.108 4.748 4.640 -0.000 0.000 0.210 235 D C -0.150 176.184 176.300 0.056 0.000 1.094 235 D CA -0.070 53.957 54.000 0.045 0.000 0.839 235 D CB 0.470 41.288 40.800 0.030 0.000 0.963 235 D HN 0.487 nan 8.370 nan 0.000 0.506 236 D N 1.844 122.291 120.400 0.079 0.000 2.508 236 D HA -0.027 4.613 4.640 -0.000 0.000 0.224 236 D C 1.330 177.707 176.300 0.129 0.000 1.171 236 D CA -0.332 53.728 54.000 0.101 0.000 1.006 236 D CB 0.426 41.285 40.800 0.099 0.000 1.073 236 D HN -0.103 nan 8.370 nan 0.000 0.513 237 L N 2.854 124.122 121.223 0.075 0.000 2.131 237 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 237 L C 2.246 179.132 176.870 0.027 0.000 1.092 237 L CA 1.387 56.254 54.840 0.046 0.000 0.759 237 L CB -1.044 41.042 42.059 0.044 0.000 0.903 237 L HN 0.338 nan 8.230 nan 0.000 0.435 238 S N -1.526 114.205 115.700 0.053 0.000 2.359 238 S HA -0.304 4.166 4.470 -0.000 0.000 0.224 238 S C 2.167 176.797 174.600 0.050 0.000 1.035 238 S CA 1.574 59.801 58.200 0.046 0.000 1.018 238 S CB -0.608 62.627 63.200 0.058 0.000 0.876 238 S HN 0.588 nan 8.310 nan 0.000 0.448 239 Y N 2.012 122.291 120.300 -0.035 0.000 2.128 239 Y HA -0.106 4.444 4.550 -0.000 0.000 0.284 239 Y C 1.884 177.741 175.900 -0.072 0.000 1.154 239 Y CA 1.890 59.962 58.100 -0.047 0.000 1.149 239 Y CB -0.635 37.801 38.460 -0.039 0.000 0.976 239 Y HN 0.290 nan 8.280 nan 0.000 0.505 240 L N -0.252 120.790 121.223 -0.302 0.000 2.027 240 L HA -0.176 4.163 4.340 -0.000 0.000 0.206 240 L C 2.659 179.298 176.870 -0.386 0.000 1.074 240 L CA 1.952 56.537 54.840 -0.426 0.000 0.745 240 L CB -1.213 40.715 42.059 -0.218 0.000 0.898 240 L HN 0.406 nan 8.230 nan 0.000 0.433 241 T N -2.504 111.859 114.554 -0.318 0.000 2.867 241 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 241 T C 1.944 176.391 174.700 -0.421 0.000 1.057 241 T CA 0.852 62.636 62.100 -0.526 0.000 1.136 241 T CB -0.285 68.413 68.868 -0.283 0.000 0.874 241 T HN 0.287 nan 8.240 nan 0.000 0.466 242 A N 1.709 124.401 122.820 -0.213 0.000 1.902 242 A HA 0.151 4.470 4.320 -0.000 0.000 0.217 242 A C 2.433 179.950 177.584 -0.113 0.000 1.181 242 A CA 1.330 53.300 52.037 -0.110 0.000 0.623 242 A CB -0.916 18.059 19.000 -0.042 0.000 0.818 242 A HN 0.533 nan 8.150 nan 0.000 0.443 243 L N -0.838 120.269 121.223 -0.194 0.000 2.017 243 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 243 L C 3.147 180.008 176.870 -0.016 0.000 1.073 243 L CA 1.106 55.876 54.840 -0.115 0.000 0.745 243 L CB -0.586 41.287 42.059 -0.309 0.000 0.894 243 L HN 0.434 nan 8.230 nan 0.000 0.432 244 A N 0.060 122.748 122.820 -0.219 0.000 1.908 244 A HA -0.243 4.076 4.320 -0.000 0.000 0.218 244 A C 2.494 180.025 177.584 -0.089 0.000 1.181 244 A CA 1.936 53.835 52.037 -0.230 0.000 0.627 244 A CB -0.818 17.834 19.000 -0.580 0.000 0.818 244 A HN 0.433 nan 8.150 nan 0.000 0.445 245 A N -0.429 122.316 122.820 -0.125 0.000 1.972 245 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 245 A C 2.151 179.789 177.584 0.090 0.000 1.169 245 A CA 1.502 53.614 52.037 0.124 0.000 0.635 245 A CB -0.407 18.672 19.000 0.132 0.000 0.810 245 A HN 0.562 nan 8.150 nan 0.000 0.446 246 R N -1.652 118.896 120.500 0.079 0.000 2.307 246 R HA 0.170 4.510 4.340 -0.000 0.000 0.199 246 R C 1.317 177.599 176.300 -0.031 0.000 1.000 246 R CA 0.604 56.755 56.100 0.085 0.000 1.023 246 R CB -0.057 30.372 30.300 0.216 0.000 0.908 246 R HN 0.696 nan 8.270 nan 0.000 0.473 247 G N -0.836 107.944 108.800 -0.034 0.000 2.184 247 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.206 247 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.206 247 G C -0.221 174.558 174.900 -0.201 0.000 0.995 247 G CA -0.603 44.424 45.100 -0.120 0.000 0.651 247 G HN 0.203 nan 8.290 nan 0.000 0.511 248 Y N 0.718 121.007 120.300 -0.019 0.000 2.480 248 Y HA 0.474 5.024 4.550 -0.000 0.000 0.338 248 Y C 1.226 177.085 175.900 -0.069 0.000 1.220 248 Y CA -0.463 57.617 58.100 -0.032 0.000 1.430 248 Y CB 0.487 38.921 38.460 -0.043 0.000 1.311 248 Y HN 0.004 nan 8.280 nan 0.000 0.575 249 L N 4.463 125.717 121.223 0.051 0.000 2.350 249 L HA 0.232 4.572 4.340 -0.000 0.000 0.275 249 L C -0.278 176.536 176.870 -0.093 0.000 1.099 249 L CA -0.404 54.377 54.840 -0.098 0.000 0.808 249 L CB 0.841 42.696 42.059 -0.339 0.000 1.149 249 L HN 0.488 nan 8.230 nan 0.000 0.442 250 I N 2.498 122.998 120.570 -0.117 0.000 2.354 250 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 250 I C 0.792 176.840 176.117 -0.116 0.000 1.007 250 I CA -0.432 60.801 61.300 -0.113 0.000 1.167 250 I CB 1.165 39.097 38.000 -0.114 0.000 1.320 250 I HN 0.565 nan 8.210 nan 0.000 0.458 251 G N 7.472 116.205 108.800 -0.113 0.000 2.448 251 G HA2 0.486 4.446 3.960 -0.000 0.000 0.309 251 G HA3 0.486 4.446 3.960 -0.000 0.000 0.309 251 G C -0.059 174.804 174.900 -0.062 0.000 1.027 251 G CA -0.401 44.639 45.100 -0.100 0.000 1.104 251 G HN 0.557 nan 8.290 nan 0.000 0.428 252 L N 3.388 124.588 121.223 -0.039 0.000 2.397 252 L HA 0.262 4.602 4.340 -0.000 0.000 0.263 252 L C 0.100 176.970 176.870 -0.001 0.000 1.136 252 L CA -0.541 54.294 54.840 -0.008 0.000 1.019 252 L CB 0.625 42.694 42.059 0.017 0.000 1.352 252 L HN 0.661 nan 8.230 nan 0.000 0.420 253 D N -0.687 119.690 120.400 -0.038 0.000 2.513 253 D HA -0.000 4.640 4.640 -0.000 0.000 0.222 253 D C 0.617 176.830 176.300 -0.145 0.000 1.210 253 D CA -0.114 53.851 54.000 -0.059 0.000 0.825 253 D CB 0.444 41.177 40.800 -0.111 0.000 1.037 253 D HN 0.353 nan 8.370 nan 0.000 0.506 254 Q N 0.610 120.293 119.800 -0.196 0.000 2.158 254 Q HA 0.244 4.584 4.340 -0.000 0.000 0.306 254 Q C 0.904 176.873 176.000 -0.052 0.000 0.878 254 Q CA -0.304 55.244 55.803 -0.425 0.000 1.136 254 Q CB 0.914 29.076 28.738 -0.960 0.000 1.253 254 Q HN 0.124 nan 8.270 nan 0.000 0.441 255 I N 1.639 122.272 120.570 0.104 0.000 2.194 255 I HA -0.179 3.991 4.170 -0.000 0.000 0.246 255 I C -0.627 175.635 176.117 0.242 0.000 1.093 255 I CA 1.381 62.831 61.300 0.250 0.000 1.355 255 I CB -2.059 36.169 38.000 0.379 0.000 1.046 255 I HN 0.197 nan 8.210 nan 0.000 0.413 256 P HA -0.067 nan 4.420 nan 0.000 0.245 256 P C 0.301 177.637 177.300 0.059 0.000 1.212 256 P CA 0.214 63.016 63.100 -0.497 0.000 0.774 256 P CB -0.284 30.723 31.700 -1.154 0.000 0.999 257 F N 1.357 121.302 119.950 -0.008 0.000 2.462 257 F HA 0.366 4.893 4.527 -0.000 0.000 0.360 257 F C 1.131 176.959 175.800 0.047 0.000 1.134 257 F CA 0.129 58.156 58.000 0.044 0.000 1.148 257 F CB -0.013 39.002 39.000 0.024 0.000 1.147 257 F HN -0.149 nan 8.300 nan 0.000 0.550 258 S N 2.018 117.797 115.700 0.131 0.000 2.548 258 S HA 0.665 5.134 4.470 -0.000 0.000 0.278 258 S C -0.163 174.470 174.600 0.055 0.000 1.150 258 S CA -0.209 58.055 58.200 0.107 0.000 0.907 258 S CB 1.144 64.428 63.200 0.139 0.000 1.108 258 S HN 0.629 nan 8.310 nan 0.000 0.459 259 A N 4.685 127.533 122.820 0.047 0.000 2.460 259 A HA 0.452 4.772 4.320 -0.000 0.000 0.258 259 A C 0.449 178.054 177.584 0.036 0.000 1.300 259 A CA -0.309 51.746 52.037 0.030 0.000 0.913 259 A CB -0.517 18.497 19.000 0.023 0.000 1.031 259 A HN 0.801 nan 8.150 nan 0.000 0.512 260 I N 0.439 121.038 120.570 0.048 0.000 2.741 260 I HA 0.177 4.347 4.170 -0.000 0.000 0.288 260 I C 1.547 177.691 176.117 0.045 0.000 1.192 260 I CA 1.635 62.962 61.300 0.045 0.000 1.426 260 I CB 0.371 38.402 38.000 0.051 0.000 1.367 260 I HN 0.505 nan 8.210 nan 0.000 0.563 261 G N 5.880 114.700 108.800 0.034 0.000 2.194 261 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 261 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 261 G C 0.218 175.132 174.900 0.023 0.000 0.987 261 G CA 0.111 45.230 45.100 0.031 0.000 0.635 261 G HN 0.602 nan 8.290 nan 0.000 0.520 262 L N -2.131 119.104 121.223 0.021 0.000 3.165 262 L HA 0.653 4.993 4.340 -0.000 0.000 0.327 262 L C 0.721 177.599 176.870 0.012 0.000 1.294 262 L CA -0.537 54.311 54.840 0.013 0.000 0.838 262 L CB -0.275 41.790 42.059 0.010 0.000 1.274 262 L HN 0.009 nan 8.230 nan 0.000 0.590 263 E N 0.463 120.671 120.200 0.014 0.000 2.204 263 E HA -0.138 4.211 4.350 -0.000 0.000 0.195 263 E C 0.895 177.501 176.600 0.009 0.000 0.990 263 E CA 1.556 57.964 56.400 0.014 0.000 0.821 263 E CB 0.131 29.839 29.700 0.014 0.000 0.750 263 E HN 0.452 nan 8.360 nan 0.000 0.477 264 D N 0.037 120.440 120.400 0.005 0.000 2.355 264 D HA -0.054 4.586 4.640 -0.000 0.000 0.218 264 D C 0.185 176.483 176.300 -0.003 0.000 1.004 264 D CA 0.216 54.216 54.000 0.001 0.000 0.880 264 D CB -0.240 40.560 40.800 -0.001 0.000 0.911 264 D HN 0.023 nan 8.370 nan 0.000 0.528 265 N N 1.221 119.920 118.700 -0.002 0.000 2.421 265 N HA 0.070 4.810 4.740 -0.000 0.000 0.260 265 N C 0.931 176.440 175.510 -0.001 0.000 1.173 265 N CA -0.061 52.985 53.050 -0.008 0.000 0.960 265 N CB 0.981 39.464 38.487 -0.008 0.000 1.273 265 N HN -0.092 nan 8.380 nan 0.000 0.497 266 A N 3.278 126.093 122.820 -0.008 0.000 1.883 266 A HA -0.211 4.108 4.320 -0.000 0.000 0.217 266 A C 2.225 179.822 177.584 0.022 0.000 1.186 266 A CA 2.239 54.277 52.037 0.001 0.000 0.624 266 A CB -0.822 18.171 19.000 -0.012 0.000 0.822 266 A HN 0.767 nan 8.150 nan 0.000 0.444 267 S N 0.089 115.789 115.700 0.001 0.000 2.368 267 S HA 0.068 4.538 4.470 -0.000 0.000 0.224 267 S C 2.140 176.844 174.600 0.173 0.000 1.029 267 S CA 1.355 59.582 58.200 0.045 0.000 0.988 267 S CB -0.762 62.332 63.200 -0.176 0.000 0.838 267 S HN 0.928 nan 8.310 nan 0.000 0.462 268 A N 1.548 124.416 122.820 0.080 0.000 1.898 268 A HA 0.005 4.324 4.320 -0.000 0.000 0.216 268 A C 2.448 180.059 177.584 0.045 0.000 1.181 268 A CA 1.856 53.930 52.037 0.061 0.000 0.620 268 A CB -1.388 17.618 19.000 0.011 0.000 0.819 268 A HN 0.585 nan 8.150 nan 0.000 0.442 269 S N -0.363 115.361 115.700 0.041 0.000 2.368 269 S HA -0.056 4.414 4.470 -0.000 0.000 0.225 269 S C 2.159 176.789 174.600 0.049 0.000 1.030 269 S CA 1.581 59.804 58.200 0.038 0.000 0.999 269 S CB -0.462 62.755 63.200 0.029 0.000 0.844 269 S HN 0.806 nan 8.310 nan 0.000 0.459 270 A N 0.877 123.738 122.820 0.068 0.000 1.933 270 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 270 A C 2.151 179.765 177.584 0.049 0.000 1.175 270 A CA 1.587 53.666 52.037 0.071 0.000 0.628 270 A CB -0.731 18.337 19.000 0.112 0.000 0.814 270 A HN 0.562 nan 8.150 nan 0.000 0.444 271 L N -0.902 120.340 121.223 0.032 0.000 2.068 271 L HA 0.089 4.428 4.340 -0.000 0.000 0.204 271 L C 2.099 179.009 176.870 0.067 0.000 1.076 271 L CA 1.518 56.332 54.840 -0.044 0.000 0.753 271 L CB -0.161 41.788 42.059 -0.183 0.000 0.910 271 L HN 0.359 nan 8.230 nan 0.000 0.439 272 L N -1.127 120.117 121.223 0.036 0.000 2.416 272 L HA 0.371 4.711 4.340 -0.000 0.000 0.216 272 L C 1.232 178.185 176.870 0.139 0.000 1.098 272 L CA 0.233 55.112 54.840 0.065 0.000 0.840 272 L CB -0.729 41.291 42.059 -0.065 0.000 0.981 272 L HN 0.433 nan 8.230 nan 0.000 0.462 273 G N 0.675 109.528 108.800 0.088 0.000 2.796 273 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.226 273 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.226 273 G C -0.149 174.789 174.900 0.063 0.000 1.381 273 G CA -0.026 45.118 45.100 0.073 0.000 0.867 273 G HN 0.067 nan 8.290 nan 0.000 0.552 274 I N 0.318 120.919 120.570 0.051 0.000 4.240 274 I HA 0.288 4.457 4.170 -0.000 0.000 0.331 274 I C 1.355 177.495 176.117 0.039 0.000 1.381 274 I CA -0.328 60.997 61.300 0.042 0.000 1.136 274 I CB 0.231 38.248 38.000 0.029 0.000 1.137 274 I HN 0.548 nan 8.210 nan 0.000 0.411 275 R N 1.389 121.917 120.500 0.046 0.000 2.449 275 R HA 0.196 4.536 4.340 -0.000 0.000 0.296 275 R C 0.513 176.843 176.300 0.050 0.000 1.047 275 R CA 0.273 56.397 56.100 0.040 0.000 1.018 275 R CB 0.515 30.843 30.300 0.047 0.000 0.962 275 R HN 0.373 nan 8.270 nan 0.000 0.428 276 S N 5.132 120.838 115.700 0.009 0.000 2.600 276 S HA -0.004 4.466 4.470 -0.000 0.000 0.265 276 S C 1.525 176.134 174.600 0.016 0.000 1.325 276 S CA -0.563 57.626 58.200 -0.018 0.000 1.002 276 S CB 0.444 63.560 63.200 -0.140 0.000 0.921 276 S HN 0.893 nan 8.310 nan 0.000 0.554 277 W N 1.317 122.624 121.300 0.011 0.000 2.388 277 W HA -0.135 4.525 4.660 -0.000 0.000 0.294 277 W C 1.222 177.702 176.519 -0.065 0.000 1.212 277 W CA 1.054 58.417 57.345 0.030 0.000 1.271 277 W CB -1.236 28.298 29.460 0.123 0.000 1.126 277 W HN 0.659 nan 8.180 nan 0.000 0.535 278 Q N 1.271 120.477 119.800 -0.990 0.000 2.096 278 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 278 Q C 2.344 178.141 176.000 -0.338 0.000 0.982 278 Q CA 3.451 58.607 55.803 -1.078 0.000 0.850 278 Q CB -1.019 27.095 28.738 -1.040 0.000 0.901 278 Q HN 0.177 nan 8.270 nan 0.000 0.422 279 T N 0.434 114.876 114.554 -0.188 0.000 2.708 279 T HA -0.150 4.199 4.350 -0.000 0.000 0.266 279 T C 1.678 176.389 174.700 0.018 0.000 1.037 279 T CA 1.449 63.523 62.100 -0.044 0.000 1.146 279 T CB -0.170 68.681 68.868 -0.028 0.000 0.865 279 T HN 0.255 nan 8.240 nan 0.000 0.435 280 R N 1.087 121.612 120.500 0.042 0.000 2.083 280 R HA -0.024 4.316 4.340 -0.000 0.000 0.237 280 R C 2.827 179.198 176.300 0.119 0.000 1.137 280 R CA 1.426 57.581 56.100 0.092 0.000 0.951 280 R CB -0.561 29.821 30.300 0.137 0.000 0.851 280 R HN 0.367 nan 8.270 nan 0.000 0.434 281 A N 1.172 124.073 122.820 0.135 0.000 1.933 281 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 281 A C 2.164 179.891 177.584 0.239 0.000 1.175 281 A CA 1.115 53.270 52.037 0.197 0.000 0.628 281 A CB -0.481 18.617 19.000 0.163 0.000 0.814 281 A HN 0.194 nan 8.150 nan 0.000 0.444 282 L N -1.001 120.353 121.223 0.218 0.000 2.275 282 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 282 L C 2.387 179.331 176.870 0.123 0.000 1.119 282 L CA 0.451 55.412 54.840 0.202 0.000 0.790 282 L CB -0.350 41.808 42.059 0.164 0.000 0.919 282 L HN 0.405 nan 8.230 nan 0.000 0.443 283 L N 0.109 121.393 121.223 0.102 0.000 2.141 283 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 283 L C 2.248 179.165 176.870 0.078 0.000 1.094 283 L CA 1.623 56.510 54.840 0.078 0.000 0.763 283 L CB -0.275 41.823 42.059 0.065 0.000 0.908 283 L HN 0.107 nan 8.230 nan 0.000 0.437 284 I N -0.529 120.098 120.570 0.096 0.000 2.127 284 I HA -0.358 3.811 4.170 -0.000 0.000 0.241 284 I C 2.542 178.709 176.117 0.082 0.000 1.075 284 I CA 1.774 63.126 61.300 0.087 0.000 1.334 284 I CB -0.567 37.495 38.000 0.104 0.000 1.040 284 I HN 0.251 nan 8.210 nan 0.000 0.405 285 K N 1.361 121.819 120.400 0.096 0.000 2.097 285 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 285 K C 2.237 178.873 176.600 0.060 0.000 1.049 285 K CA 1.476 57.805 56.287 0.069 0.000 0.933 285 K CB -0.138 32.400 32.500 0.062 0.000 0.717 285 K HN 0.317 nan 8.250 nan 0.000 0.442 286 A N 1.454 124.314 122.820 0.067 0.000 1.883 286 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 286 A C 2.131 179.764 177.584 0.082 0.000 1.186 286 A CA 1.477 53.553 52.037 0.064 0.000 0.624 286 A CB -0.694 18.343 19.000 0.061 0.000 0.822 286 A HN 0.342 nan 8.150 nan 0.000 0.444 287 L N -0.657 120.620 121.223 0.089 0.000 2.083 287 L HA -0.169 4.170 4.340 -0.000 0.000 0.209 287 L C 2.496 179.454 176.870 0.146 0.000 1.083 287 L CA 1.109 56.030 54.840 0.136 0.000 0.752 287 L CB -0.500 41.614 42.059 0.092 0.000 0.899 287 L HN 0.408 nan 8.230 nan 0.000 0.433 288 I N -0.107 120.513 120.570 0.083 0.000 2.163 288 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 288 I C 1.952 178.084 176.117 0.025 0.000 1.085 288 I CA 1.339 62.666 61.300 0.046 0.000 1.347 288 I CB -0.387 37.632 38.000 0.031 0.000 1.044 288 I HN 0.263 nan 8.210 nan 0.000 0.408 289 D N 0.350 120.770 120.400 0.034 0.000 2.264 289 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 289 D C 1.906 178.211 176.300 0.008 0.000 0.966 289 D CA 0.930 54.939 54.000 0.015 0.000 0.864 289 D CB -0.116 40.697 40.800 0.020 0.000 0.933 289 D HN 0.485 nan 8.370 nan 0.000 0.499 290 Q N -0.650 119.176 119.800 0.044 0.000 2.360 290 Q HA 0.247 4.587 4.340 -0.000 0.000 0.202 290 Q C 0.864 176.745 176.000 -0.198 0.000 0.915 290 Q CA 0.367 56.192 55.803 0.037 0.000 0.943 290 Q CB 1.041 29.908 28.738 0.215 0.000 1.064 290 Q HN 0.244 nan 8.270 nan 0.000 0.511 291 G N 0.661 109.341 108.800 -0.200 0.000 2.141 291 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.231 291 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.231 291 G C 0.047 174.691 174.900 -0.427 0.000 0.984 291 G CA -0.261 44.641 45.100 -0.330 0.000 0.660 291 G HN 0.456 nan 8.290 nan 0.000 0.525 292 Y N 0.480 120.773 120.300 -0.011 0.000 2.683 292 Y HA 0.322 4.872 4.550 -0.000 0.000 0.297 292 Y C 2.578 178.466 175.900 -0.021 0.000 1.147 292 Y CA 0.308 58.398 58.100 -0.016 0.000 1.274 292 Y CB -0.171 38.279 38.460 -0.016 0.000 1.143 292 Y HN 0.490 nan 8.280 nan 0.000 0.527 293 M N -0.976 118.657 119.600 0.055 0.000 2.202 293 M HA -0.215 4.265 4.480 -0.000 0.000 0.262 293 M C 1.343 177.656 176.300 0.022 0.000 1.063 293 M CA 1.910 57.228 55.300 0.031 0.000 1.097 293 M CB -0.345 32.256 32.600 0.001 0.000 1.382 293 M HN 0.041 nan 8.290 nan 0.000 0.413 294 K N 0.092 120.507 120.400 0.025 0.000 2.365 294 K HA -0.024 4.296 4.320 -0.000 0.000 0.199 294 K C 1.601 178.212 176.600 0.018 0.000 1.045 294 K CA 0.682 56.977 56.287 0.014 0.000 0.962 294 K CB 0.042 32.548 32.500 0.011 0.000 0.759 294 K HN 0.507 nan 8.250 nan 0.000 0.469 295 Q N 0.073 119.901 119.800 0.047 0.000 2.319 295 Q HA 0.179 4.519 4.340 -0.000 0.000 0.202 295 Q C 0.377 176.359 176.000 -0.030 0.000 0.896 295 Q CA 0.296 56.111 55.803 0.020 0.000 0.942 295 Q CB 0.408 29.183 28.738 0.062 0.000 1.083 295 Q HN 0.306 nan 8.270 nan 0.000 0.510 296 I N 1.599 122.155 120.570 -0.023 0.000 2.365 296 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 296 I C -0.321 175.746 176.117 -0.083 0.000 1.004 296 I CA -0.403 60.871 61.300 -0.043 0.000 1.311 296 I CB 0.906 38.901 38.000 -0.009 0.000 1.401 296 I HN -0.145 nan 8.210 nan 0.000 0.491 297 L N 7.229 128.386 121.223 -0.110 0.000 2.362 297 L HA 0.653 4.992 4.340 -0.000 0.000 0.275 297 L C -0.473 176.360 176.870 -0.062 0.000 0.998 297 L CA -0.989 53.780 54.840 -0.118 0.000 0.820 297 L CB 1.991 43.921 42.059 -0.215 0.000 1.270 297 L HN 0.381 nan 8.230 nan 0.000 0.415 298 V N -0.430 119.466 119.914 -0.030 0.000 2.715 298 V HA 0.937 5.056 4.120 -0.000 0.000 0.310 298 V C -0.328 175.805 176.094 0.065 0.000 1.054 298 V CA -0.174 62.139 62.300 0.021 0.000 0.928 298 V CB 1.875 33.722 31.823 0.039 0.000 1.007 298 V HN 0.813 nan 8.190 nan 0.000 0.437 299 S N 1.255 117.011 115.700 0.095 0.000 2.655 299 S HA 0.468 4.938 4.470 -0.000 0.000 0.266 299 S C -0.091 174.599 174.600 0.150 0.000 1.149 299 S CA -0.293 57.989 58.200 0.136 0.000 0.818 299 S CB 1.870 65.154 63.200 0.140 0.000 1.130 299 S HN 0.913 nan 8.310 nan 0.000 0.476 300 N N 0.760 119.576 118.700 0.193 0.000 2.348 300 N HA 0.085 4.825 4.740 -0.000 0.000 0.183 300 N C -0.624 175.083 175.510 0.329 0.000 1.094 300 N CA 0.326 53.527 53.050 0.252 0.000 0.885 300 N CB 0.071 38.710 38.487 0.253 0.000 1.065 300 N HN 0.738 nan 8.380 nan 0.000 0.472 301 D N 0.132 120.691 120.400 0.266 0.000 2.708 301 D HA -0.186 4.454 4.640 -0.000 0.000 0.236 301 D C -0.459 176.130 176.300 0.482 0.000 1.146 301 D CA 0.366 54.560 54.000 0.323 0.000 0.662 301 D CB -1.127 39.635 40.800 -0.064 0.000 1.059 301 D HN 0.373 nan 8.370 nan 0.000 0.428 302 W N -0.237 121.137 121.300 0.124 0.000 2.166 302 W HA 0.559 5.219 4.660 -0.000 0.000 0.364 302 W C 0.497 176.916 176.519 -0.167 0.000 1.344 302 W CA -0.514 56.818 57.345 -0.022 0.000 1.471 302 W CB 0.627 30.014 29.460 -0.123 0.000 1.220 302 W HN 0.110 nan 8.180 nan 0.000 0.666 303 L N -0.771 120.036 121.223 -0.692 0.000 2.720 303 L HA 0.440 4.780 4.340 -0.000 0.000 0.261 303 L C -1.103 175.323 176.870 -0.740 0.000 1.046 303 L CA -0.865 53.587 54.840 -0.647 0.000 0.886 303 L CB 1.456 43.222 42.059 -0.489 0.000 1.493 303 L HN 0.329 nan 8.230 nan 0.000 0.407 304 F N 0.002 119.957 119.950 0.008 0.000 2.724 304 F HA 0.575 5.102 4.527 -0.000 0.000 0.306 304 F C 1.115 176.963 175.800 0.081 0.000 1.100 304 F CA -0.137 57.902 58.000 0.066 0.000 1.255 304 F CB 1.295 40.343 39.000 0.079 0.000 1.072 304 F HN 0.672 nan 8.300 nan 0.000 0.589 305 G N -0.446 108.467 108.800 0.188 0.000 2.696 305 G HA2 0.528 4.488 3.960 -0.000 0.000 0.295 305 G HA3 0.528 4.488 3.960 -0.000 0.000 0.295 305 G C -2.205 172.902 174.900 0.345 0.000 1.398 305 G CA -0.456 44.844 45.100 0.332 0.000 0.920 305 G HN -0.185 nan 8.290 nan 0.000 0.492 306 F N 1.948 122.096 119.950 0.329 0.000 2.991 306 F HA 0.460 4.987 4.527 -0.000 0.000 0.355 306 F C 0.615 176.549 175.800 0.223 0.000 1.262 306 F CA -1.449 56.643 58.000 0.154 0.000 1.127 306 F CB 1.896 40.895 39.000 -0.002 0.000 1.447 306 F HN 0.535 nan 8.300 nan 0.000 0.584 307 S N 0.622 116.572 115.700 0.415 0.000 2.578 307 S HA 0.047 4.517 4.470 -0.000 0.000 0.228 307 S C 1.161 175.531 174.600 -0.384 0.000 1.022 307 S CA 0.559 58.606 58.200 -0.255 0.000 0.967 307 S CB -0.060 62.628 63.200 -0.853 0.000 0.914 307 S HN 0.473 nan 8.310 nan 0.000 0.515 308 S N -0.167 115.529 115.700 -0.006 0.000 2.631 308 S HA 0.336 4.806 4.470 -0.000 0.000 0.217 308 S C 0.064 174.725 174.600 0.102 0.000 0.958 308 S CA -0.405 57.809 58.200 0.023 0.000 0.920 308 S CB -0.483 62.847 63.200 0.217 0.000 0.776 308 S HN 0.587 nan 8.310 nan 0.000 0.517 309 Y N 1.241 121.370 120.300 -0.285 0.000 3.257 309 Y HA 0.583 5.132 4.550 -0.000 0.000 0.292 309 Y C -0.164 175.564 175.900 -0.287 0.000 1.790 309 Y CA -1.600 56.297 58.100 -0.338 0.000 1.007 309 Y CB 0.589 38.662 38.460 -0.644 0.000 1.436 309 Y HN 0.094 nan 8.280 nan 0.000 0.592 310 V N 0.433 119.923 119.914 -0.707 0.000 2.843 310 V HA 0.164 4.284 4.120 -0.000 0.000 0.305 310 V C 0.867 176.812 176.094 -0.249 0.000 1.065 310 V CA 0.455 62.467 62.300 -0.480 0.000 1.116 310 V CB 0.471 31.967 31.823 -0.544 0.000 0.968 310 V HN 0.867 nan 8.190 nan 0.000 0.487 311 T N 3.007 117.474 114.554 -0.145 0.000 2.684 311 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 311 T C 1.356 175.967 174.700 -0.149 0.000 1.036 311 T CA 2.429 64.496 62.100 -0.054 0.000 1.148 311 T CB -0.500 68.322 68.868 -0.076 0.000 0.863 311 T HN 1.040 nan 8.240 nan 0.000 0.436 312 N N 0.963 119.567 118.700 -0.160 0.000 2.279 312 N HA 0.084 4.824 4.740 -0.000 0.000 0.226 312 N C 1.236 176.678 175.510 -0.115 0.000 1.126 312 N CA -0.177 52.787 53.050 -0.143 0.000 0.846 312 N CB -0.425 37.989 38.487 -0.122 0.000 1.050 312 N HN 0.235 nan 8.380 nan 0.000 0.502 313 I N 0.649 121.128 120.570 -0.151 0.000 2.335 313 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 313 I C 2.116 178.185 176.117 -0.079 0.000 1.129 313 I CA 1.009 62.219 61.300 -0.150 0.000 1.402 313 I CB -0.128 37.699 38.000 -0.288 0.000 1.069 313 I HN 0.184 nan 8.210 nan 0.000 0.424 314 M N 0.384 119.972 119.600 -0.021 0.000 2.108 314 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 314 M C 1.674 177.989 176.300 0.024 0.000 1.066 314 M CA 1.916 57.240 55.300 0.041 0.000 1.107 314 M CB -0.605 32.064 32.600 0.114 0.000 1.356 314 M HN 0.231 nan 8.290 nan 0.000 0.406 315 D N -0.691 119.714 120.400 0.007 0.000 2.097 315 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 315 D C 2.144 178.458 176.300 0.023 0.000 0.989 315 D CA 1.632 55.644 54.000 0.018 0.000 0.827 315 D CB -0.609 40.184 40.800 -0.011 0.000 0.966 315 D HN 0.283 nan 8.370 nan 0.000 0.456 316 V N 1.035 120.945 119.914 -0.007 0.000 2.343 316 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 316 V C 2.537 178.641 176.094 0.016 0.000 1.051 316 V CA 1.449 63.746 62.300 -0.006 0.000 1.036 316 V CB -0.443 31.361 31.823 -0.031 0.000 0.654 316 V HN 0.205 nan 8.190 nan 0.000 0.451 317 M N -0.375 119.220 119.600 -0.007 0.000 2.117 317 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 317 M C 1.967 178.446 176.300 0.299 0.000 1.065 317 M CA 1.841 57.152 55.300 0.019 0.000 1.114 317 M CB -0.632 31.776 32.600 -0.320 0.000 1.361 317 M HN 0.323 nan 8.290 nan 0.000 0.408 318 D N -0.210 120.341 120.400 0.252 0.000 2.178 318 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 318 D C 2.029 178.428 176.300 0.166 0.000 0.974 318 D CA 0.836 55.015 54.000 0.299 0.000 0.841 318 D CB -0.445 40.492 40.800 0.228 0.000 0.953 318 D HN 0.254 nan 8.370 nan 0.000 0.478 319 R N 1.303 121.868 120.500 0.108 0.000 2.115 319 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 319 R C 1.858 178.190 176.300 0.053 0.000 1.100 319 R CA 0.666 56.805 56.100 0.064 0.000 0.980 319 R CB -0.545 29.780 30.300 0.041 0.000 0.875 319 R HN 0.063 nan 8.270 nan 0.000 0.445 320 V N 1.374 121.329 119.914 0.068 0.000 2.358 320 V HA -0.147 3.972 4.120 -0.000 0.000 0.246 320 V C 0.931 177.005 176.094 -0.033 0.000 1.047 320 V CA 1.783 64.104 62.300 0.036 0.000 1.035 320 V CB -0.594 31.254 31.823 0.041 0.000 0.658 320 V HN 0.367 nan 8.190 nan 0.000 0.452 321 N N -0.502 118.175 118.700 -0.038 0.000 2.750 321 N HA 0.271 5.011 4.740 -0.000 0.000 0.253 321 N C -2.224 173.168 175.510 -0.196 0.000 1.408 321 N CA -1.634 51.245 53.050 -0.285 0.000 0.780 321 N CB 1.550 39.567 38.487 -0.784 0.000 1.191 321 N HN 0.004 nan 8.380 nan 0.000 0.511 322 P HA -0.044 nan 4.420 nan 0.000 0.221 322 P C 0.333 177.597 177.300 -0.060 0.000 1.145 322 P CA 0.948 64.035 63.100 -0.021 0.000 0.795 322 P CB 0.355 32.053 31.700 -0.003 0.000 0.775 323 D N -1.167 119.158 120.400 -0.125 0.000 2.312 323 D HA -0.002 4.638 4.640 -0.000 0.000 0.211 323 D C 1.647 177.827 176.300 -0.201 0.000 0.964 323 D CA 1.243 55.173 54.000 -0.116 0.000 0.877 323 D CB -0.284 40.475 40.800 -0.069 0.000 0.924 323 D HN 0.095 nan 8.370 nan 0.000 0.515 324 G N 1.657 110.174 108.800 -0.471 0.000 2.611 324 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.301 324 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.301 324 G C 1.015 175.533 174.900 -0.636 0.000 1.233 324 G CA 0.552 45.161 45.100 -0.819 0.000 0.993 324 G HN 0.259 nan 8.290 nan 0.000 0.553 325 M N 1.275 120.763 119.600 -0.186 0.000 2.549 325 M HA 0.118 4.598 4.480 -0.000 0.000 0.260 325 M C 2.675 178.969 176.300 -0.011 0.000 1.076 325 M CA 1.477 56.773 55.300 -0.006 0.000 1.090 325 M CB -0.164 32.533 32.600 0.163 0.000 1.418 325 M HN 0.686 nan 8.290 nan 0.000 0.486 326 A N -0.476 122.314 122.820 -0.050 0.000 2.235 326 A HA -0.050 4.270 4.320 -0.000 0.000 0.208 326 A C 1.778 179.308 177.584 -0.091 0.000 1.172 326 A CA 0.192 52.181 52.037 -0.081 0.000 0.786 326 A CB -0.863 18.088 19.000 -0.081 0.000 0.804 326 A HN 0.526 nan 8.150 nan 0.000 0.479 327 F N 0.797 120.596 119.950 -0.251 0.000 2.095 327 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 327 F C 1.926 177.610 175.800 -0.194 0.000 1.104 327 F CA 1.766 59.592 58.000 -0.290 0.000 1.232 327 F CB -0.002 38.761 39.000 -0.395 0.000 0.987 327 F HN 0.187 nan 8.300 nan 0.000 0.475 328 I N 1.674 122.218 120.570 -0.042 0.000 2.069 328 I HA -0.229 3.940 4.170 -0.000 0.000 0.237 328 I C -0.313 175.762 176.117 -0.070 0.000 1.053 328 I CA 1.943 63.222 61.300 -0.035 0.000 1.311 328 I CB -3.003 35.100 38.000 0.173 0.000 1.030 328 I HN 0.144 nan 8.210 nan 0.000 0.398 329 P HA -0.097 nan 4.420 nan 0.000 0.219 329 P C 2.198 179.429 177.300 -0.116 0.000 1.150 329 P CA 1.451 64.512 63.100 -0.065 0.000 0.814 329 P CB 0.014 31.537 31.700 -0.295 0.000 0.787 330 L N -1.652 119.459 121.223 -0.187 0.000 2.209 330 L HA 0.043 4.382 4.340 -0.000 0.000 0.207 330 L C 2.694 179.417 176.870 -0.245 0.000 1.094 330 L CA 0.942 55.672 54.840 -0.184 0.000 0.790 330 L CB -0.309 41.650 42.059 -0.166 0.000 0.932 330 L HN -0.115 nan 8.230 nan 0.000 0.447 331 R N -1.082 119.141 120.500 -0.462 0.000 2.167 331 R HA 0.146 4.486 4.340 -0.000 0.000 0.195 331 R C 2.126 178.153 176.300 -0.456 0.000 1.027 331 R CA 0.556 56.285 56.100 -0.619 0.000 1.114 331 R CB -0.611 28.935 30.300 -1.257 0.000 1.075 331 R HN 0.042 nan 8.270 nan 0.000 0.538 332 V N 2.399 121.987 119.914 -0.543 0.000 2.307 332 V HA -0.176 3.943 4.120 -0.000 0.000 0.245 332 V C 2.411 178.566 176.094 0.101 0.000 1.045 332 V CA 1.434 63.653 62.300 -0.135 0.000 1.024 332 V CB -0.395 31.356 31.823 -0.120 0.000 0.651 332 V HN 0.063 nan 8.190 nan 0.000 0.449 333 I N 0.209 120.801 120.570 0.037 0.000 2.113 333 I HA -0.114 4.056 4.170 -0.000 0.000 0.238 333 I C 0.179 176.351 176.117 0.091 0.000 1.070 333 I CA 1.685 63.036 61.300 0.085 0.000 1.332 333 I CB -2.779 35.278 38.000 0.095 0.000 1.044 333 I HN 0.317 nan 8.210 nan 0.000 0.402 334 P HA -0.203 nan 4.420 nan 0.000 0.216 334 P C 2.061 179.439 177.300 0.130 0.000 1.150 334 P CA 1.302 64.447 63.100 0.075 0.000 0.837 334 P CB -0.229 31.502 31.700 0.051 0.000 0.786 335 F N 0.312 120.299 119.950 0.061 0.000 2.095 335 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 335 F C 1.948 177.794 175.800 0.077 0.000 1.104 335 F CA 1.610 59.683 58.000 0.121 0.000 1.232 335 F CB -0.918 38.249 39.000 0.278 0.000 0.987 335 F HN -0.253 nan 8.300 nan 0.000 0.475 336 L N -0.197 121.123 121.223 0.162 0.000 2.056 336 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 336 L C 2.749 179.593 176.870 -0.043 0.000 1.078 336 L CA 0.859 55.716 54.840 0.028 0.000 0.749 336 L CB -0.679 41.456 42.059 0.127 0.000 0.901 336 L HN 0.040 nan 8.230 nan 0.000 0.433 337 R N 0.338 120.836 120.500 -0.005 0.000 2.083 337 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 337 R C 2.137 178.404 176.300 -0.055 0.000 1.137 337 R CA 1.715 57.804 56.100 -0.018 0.000 0.951 337 R CB -0.629 29.674 30.300 0.006 0.000 0.851 337 R HN 0.334 nan 8.270 nan 0.000 0.434 338 E N 0.968 121.121 120.200 -0.080 0.000 2.204 338 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 338 E C 1.042 177.544 176.600 -0.163 0.000 0.990 338 E CA 1.249 57.585 56.400 -0.107 0.000 0.821 338 E CB 0.129 29.770 29.700 -0.098 0.000 0.750 338 E HN 0.001 nan 8.360 nan 0.000 0.477 339 K N -0.939 119.321 120.400 -0.234 0.000 2.458 339 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 339 K C 0.976 177.502 176.600 -0.123 0.000 1.024 339 K CA 0.678 56.828 56.287 -0.229 0.000 1.108 339 K CB 0.723 33.015 32.500 -0.346 0.000 0.846 339 K HN 0.292 nan 8.250 nan 0.000 0.518 340 G N 0.657 109.405 108.800 -0.088 0.000 2.179 340 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 340 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 340 G C 0.139 175.017 174.900 -0.037 0.000 0.990 340 G CA -0.057 45.011 45.100 -0.054 0.000 0.646 340 G HN 0.102 nan 8.290 nan 0.000 0.517 341 V N 2.847 122.740 119.914 -0.035 0.000 2.479 341 V HA 0.350 4.470 4.120 -0.000 0.000 0.281 341 V C -1.341 174.747 176.094 -0.010 0.000 1.031 341 V CA -0.905 61.385 62.300 -0.016 0.000 1.038 341 V CB 0.971 32.793 31.823 -0.001 0.000 0.981 341 V HN 0.172 nan 8.190 nan 0.000 0.478 342 P HA 0.097 nan 4.420 nan 0.000 0.268 342 P C 0.484 177.784 177.300 -0.001 0.000 1.205 342 P CA -0.170 62.926 63.100 -0.007 0.000 0.771 342 P CB 0.660 32.354 31.700 -0.009 0.000 0.858 343 Q N 2.780 122.582 119.800 0.003 0.000 2.152 343 Q HA -0.258 4.081 4.340 -0.000 0.000 0.206 343 Q C 1.842 177.844 176.000 0.004 0.000 0.985 343 Q CA 1.989 57.798 55.803 0.010 0.000 0.863 343 Q CB -0.680 28.067 28.738 0.014 0.000 0.904 343 Q HN 0.581 nan 8.270 nan 0.000 0.422 344 E N -1.545 118.655 120.200 -0.001 0.000 2.153 344 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 344 E C 1.402 177.994 176.600 -0.014 0.000 0.988 344 E CA 1.587 57.983 56.400 -0.006 0.000 0.811 344 E CB 0.019 29.715 29.700 -0.007 0.000 0.746 344 E HN 0.454 nan 8.360 nan 0.000 0.466 345 T N 1.124 115.671 114.554 -0.013 0.000 2.777 345 T HA -0.086 4.263 4.350 -0.000 0.000 0.266 345 T C 1.865 176.551 174.700 -0.023 0.000 1.040 345 T CA 1.023 63.114 62.100 -0.016 0.000 1.141 345 T CB -0.134 68.728 68.868 -0.010 0.000 0.868 345 T HN 0.154 nan 8.240 nan 0.000 0.444 346 L N 0.906 122.119 121.223 -0.017 0.000 2.083 346 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 346 L C 3.061 179.888 176.870 -0.072 0.000 1.083 346 L CA 1.172 55.995 54.840 -0.028 0.000 0.752 346 L CB -0.725 41.338 42.059 0.006 0.000 0.899 346 L HN 0.231 nan 8.230 nan 0.000 0.433 347 A N 0.498 123.288 122.820 -0.050 0.000 1.933 347 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 347 A C 2.436 179.969 177.584 -0.086 0.000 1.175 347 A CA 1.644 53.640 52.037 -0.068 0.000 0.628 347 A CB -1.236 17.752 19.000 -0.021 0.000 0.814 347 A HN 0.432 nan 8.150 nan 0.000 0.444 348 G N 0.149 108.913 108.800 -0.059 0.000 2.440 348 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 348 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 348 G C 1.523 176.379 174.900 -0.073 0.000 1.154 348 G CA 1.202 46.270 45.100 -0.053 0.000 0.767 348 G HN 0.488 nan 8.290 nan 0.000 0.552 349 I N 1.321 121.839 120.570 -0.086 0.000 2.252 349 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 349 I C 3.023 179.038 176.117 -0.171 0.000 1.102 349 I CA 1.757 62.997 61.300 -0.100 0.000 1.385 349 I CB -0.315 37.640 38.000 -0.074 0.000 1.064 349 I HN 0.330 nan 8.210 nan 0.000 0.414 350 T N -2.989 111.394 114.554 -0.285 0.000 3.057 350 T HA 0.142 4.492 4.350 -0.000 0.000 0.254 350 T C 1.407 175.840 174.700 -0.445 0.000 1.094 350 T CA 0.343 62.111 62.100 -0.555 0.000 1.088 350 T CB 0.207 68.360 68.868 -1.193 0.000 0.934 350 T HN 0.119 nan 8.240 nan 0.000 0.497 351 V N 0.712 120.481 119.914 -0.242 0.000 3.054 351 V HA 0.056 4.175 4.120 -0.000 0.000 0.227 351 V C 2.748 178.808 176.094 -0.057 0.000 1.252 351 V CA 1.041 63.272 62.300 -0.116 0.000 1.279 351 V CB -0.314 31.470 31.823 -0.065 0.000 1.118 351 V HN 0.347 nan 8.190 nan 0.000 0.504 352 T N 1.261 115.783 114.554 -0.053 0.000 2.737 352 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 352 T C 1.783 176.474 174.700 -0.014 0.000 1.038 352 T CA 1.919 64.003 62.100 -0.027 0.000 1.144 352 T CB -0.325 68.528 68.868 -0.025 0.000 0.866 352 T HN 0.343 nan 8.240 nan 0.000 0.434 353 N N 1.551 120.235 118.700 -0.027 0.000 2.084 353 N HA -0.039 4.700 4.740 -0.000 0.000 0.190 353 N C -0.947 174.584 175.510 0.036 0.000 1.030 353 N CA 1.187 54.233 53.050 -0.007 0.000 0.849 353 N CB -1.600 36.863 38.487 -0.040 0.000 1.012 353 N HN 0.328 nan 8.380 nan 0.000 0.423 354 P HA -0.033 nan 4.420 nan 0.000 0.217 354 P C 1.093 178.460 177.300 0.112 0.000 1.150 354 P CA 1.508 64.665 63.100 0.094 0.000 0.832 354 P CB -0.058 31.671 31.700 0.047 0.000 0.787 355 A N -0.016 122.835 122.820 0.051 0.000 1.902 355 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 355 A C 2.421 180.023 177.584 0.029 0.000 1.181 355 A CA 1.611 53.665 52.037 0.028 0.000 0.623 355 A CB -1.207 17.798 19.000 0.008 0.000 0.818 355 A HN 0.027 nan 8.150 nan 0.000 0.443 356 R N -1.930 118.597 120.500 0.046 0.000 2.115 356 R HA -0.123 4.217 4.340 -0.000 0.000 0.230 356 R C 1.913 178.261 176.300 0.080 0.000 1.111 356 R CA 1.562 57.688 56.100 0.042 0.000 0.976 356 R CB -0.354 29.971 30.300 0.040 0.000 0.870 356 R HN 0.518 nan 8.270 nan 0.000 0.445 357 F N 1.024 120.948 119.950 -0.043 0.000 2.113 357 F HA -0.086 4.440 4.527 -0.000 0.000 0.297 357 F C 1.719 177.488 175.800 -0.052 0.000 1.103 357 F CA 1.372 59.344 58.000 -0.047 0.000 1.248 357 F CB -0.254 38.721 39.000 -0.041 0.000 0.999 357 F HN -0.057 nan 8.300 nan 0.000 0.475 358 L N -0.726 120.429 121.223 -0.112 0.000 2.131 358 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 358 L C 1.397 178.155 176.870 -0.187 0.000 1.087 358 L CA 0.652 55.360 54.840 -0.220 0.000 0.767 358 L CB -0.775 41.236 42.059 -0.081 0.000 0.917 358 L HN 0.005 nan 8.230 nan 0.000 0.441 359 S N 0.943 116.573 115.700 -0.117 0.000 2.509 359 S HA 0.119 4.589 4.470 -0.000 0.000 0.287 359 S C -2.160 172.370 174.600 -0.117 0.000 1.248 359 S CA -1.367 56.775 58.200 -0.097 0.000 1.089 359 S CB 0.182 63.345 63.200 -0.063 0.000 0.900 359 S HN -0.094 nan 8.310 nan 0.000 0.496 360 P HA 0.125 nan 4.420 nan 0.000 0.261 360 P C -0.742 176.502 177.300 -0.093 0.000 1.183 360 P CA 0.354 63.385 63.100 -0.116 0.000 0.761 360 P CB 0.510 32.151 31.700 -0.097 0.000 0.785 361 T N 1.111 115.604 114.554 -0.100 0.000 2.792 361 T HA 0.318 4.668 4.350 -0.000 0.000 0.303 361 T C 0.764 175.415 174.700 -0.082 0.000 1.310 361 T CA -0.756 61.298 62.100 -0.078 0.000 1.007 361 T CB 0.977 69.804 68.868 -0.069 0.000 1.335 361 T HN 0.062 nan 8.240 nan 0.000 0.504 362 L N -0.405 120.780 121.223 -0.064 0.000 2.529 362 L HA 0.385 4.725 4.340 -0.000 0.000 0.223 362 L C 1.092 177.927 176.870 -0.059 0.000 1.113 362 L CA 0.389 55.193 54.840 -0.060 0.000 0.861 362 L CB 0.085 42.117 42.059 -0.044 0.000 1.012 362 L HN 0.493 nan 8.230 nan 0.000 0.461 363 R N 0.705 121.172 120.500 -0.055 0.000 2.659 363 R HA 0.364 4.703 4.340 -0.000 0.000 0.290 363 R C -1.142 175.132 176.300 -0.044 0.000 1.253 363 R CA -0.223 55.846 56.100 -0.051 0.000 1.010 363 R CB 1.388 31.663 30.300 -0.042 0.000 1.236 363 R HN -0.046 nan 8.270 nan 0.000 0.413 364 A N 3.156 125.950 122.820 -0.042 0.000 3.004 364 A HA 0.480 4.799 4.320 -0.000 0.000 0.286 364 A C -0.270 177.301 177.584 -0.021 0.000 1.632 364 A CA 0.535 52.555 52.037 -0.028 0.000 1.339 364 A CB -0.358 18.635 19.000 -0.012 0.000 1.136 364 A HN 0.910 nan 8.150 nan 0.000 0.577 365 S N 0.000 115.686 115.700 -0.023 0.000 2.498 365 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 365 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 365 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517