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 1z9j_1_B DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVH GFIYPILEGS WSEAVPYGIF SHLDWTNNFS LVHGNLHYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSDTV VDNWYVWGQN DATA SEQUENCE HG 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.609 177.584 0.042 0.000 1.274 1 A CA 0.000 52.056 52.037 0.031 0.000 0.836 1 A CB 0.000 19.020 19.000 0.033 0.000 0.831 2 E N 0.155 120.384 120.200 0.050 0.000 2.396 2 E HA 0.647 4.997 4.350 -0.000 0.000 0.251 2 E C -1.037 175.643 176.600 0.134 0.000 0.949 2 E CA -0.796 55.650 56.400 0.077 0.000 0.834 2 E CB 0.960 30.694 29.700 0.057 0.000 1.309 2 E HN 0.738 nan 8.360 nan 0.000 0.405 3 Y N 1.185 121.482 120.300 -0.005 0.000 2.393 3 Y HA 0.093 4.643 4.550 -0.000 0.000 0.338 3 Y C 0.109 175.998 175.900 -0.019 0.000 1.029 3 Y CA -0.327 57.773 58.100 0.000 0.000 1.239 3 Y CB 0.925 39.382 38.460 -0.004 0.000 1.170 3 Y HN 0.424 nan 8.280 nan 0.000 0.515 4 Q N 4.425 124.108 119.800 -0.195 0.000 2.188 4 Q HA 0.019 4.359 4.340 -0.000 0.000 0.212 4 Q C 0.300 176.018 176.000 -0.469 0.000 0.846 4 Q CA -0.167 55.474 55.803 -0.270 0.000 0.989 4 Q CB -0.313 28.345 28.738 -0.133 0.000 1.114 4 Q HN 0.884 nan 8.270 nan 0.000 0.488 5 N N 1.032 119.131 118.700 -1.001 0.000 2.691 5 N HA -0.206 4.534 4.740 -0.000 0.000 0.257 5 N C 0.597 175.843 175.510 -0.441 0.000 0.966 5 N CA 0.142 52.607 53.050 -0.974 0.000 0.810 5 N CB -0.269 37.772 38.487 -0.743 0.000 0.932 5 N HN 0.244 nan 8.380 nan 0.000 0.546 6 I N -1.308 119.056 120.570 -0.343 0.000 2.339 6 I HA -0.015 4.155 4.170 -0.000 0.000 0.245 6 I C 0.604 176.510 176.117 -0.351 0.000 1.096 6 I CA 1.185 62.264 61.300 -0.368 0.000 1.408 6 I CB -0.728 37.018 38.000 -0.423 0.000 1.092 6 I HN 0.034 nan 8.210 nan 0.000 0.423 7 F N 0.238 120.275 119.950 0.146 0.000 2.546 7 F HA 0.427 4.954 4.527 -0.000 0.000 0.320 7 F C 0.910 176.874 175.800 0.273 0.000 1.076 7 F CA -0.924 57.256 58.000 0.300 0.000 0.928 7 F CB 1.189 40.415 39.000 0.376 0.000 1.189 7 F HN -0.297 nan 8.300 nan 0.000 0.465 8 S N 0.736 116.713 115.700 0.463 0.000 2.608 8 S HA 0.131 4.601 4.470 -0.000 0.000 0.261 8 S C 0.751 175.605 174.600 0.423 0.000 1.314 8 S CA -0.540 57.877 58.200 0.362 0.000 0.992 8 S CB 0.841 64.120 63.200 0.130 0.000 0.935 8 S HN 0.693 nan 8.310 nan 0.000 0.564 9 Q N -0.424 119.556 119.800 0.300 0.000 2.378 9 Q HA 0.273 4.613 4.340 -0.000 0.000 0.216 9 Q C -0.562 175.525 176.000 0.146 0.000 0.892 9 Q CA 0.244 56.192 55.803 0.242 0.000 0.931 9 Q CB 0.403 29.170 28.738 0.048 0.000 1.086 9 Q HN 0.330 nan 8.270 nan 0.000 0.528 10 V N 0.809 120.735 119.914 0.020 0.000 2.925 10 V HA 0.269 4.389 4.120 -0.000 0.000 0.311 10 V C -0.751 175.241 176.094 -0.170 0.000 1.104 10 V CA -0.949 61.319 62.300 -0.054 0.000 0.954 10 V CB 2.344 34.144 31.823 -0.039 0.000 1.022 10 V HN 0.070 nan 8.190 nan 0.000 0.427 11 Q N 1.233 120.893 119.800 -0.233 0.000 2.248 11 Q HA 0.868 5.208 4.340 -0.000 0.000 0.263 11 Q C -1.576 174.335 176.000 -0.148 0.000 1.007 11 Q CA -0.697 54.945 55.803 -0.269 0.000 0.877 11 Q CB 2.662 31.159 28.738 -0.402 0.000 1.315 11 Q HN 0.554 nan 8.270 nan 0.000 0.454 12 V N 1.114 120.954 119.914 -0.123 0.000 2.969 12 V HA 0.516 4.636 4.120 -0.000 0.000 0.304 12 V C -0.897 175.145 176.094 -0.086 0.000 1.192 12 V CA -0.804 61.442 62.300 -0.090 0.000 0.962 12 V CB 2.410 34.193 31.823 -0.066 0.000 1.045 12 V HN 0.709 nan 8.190 nan 0.000 0.428 13 R N 1.053 121.489 120.500 -0.107 0.000 2.867 13 R HA 0.885 5.225 4.340 -0.000 0.000 0.268 13 R C -0.397 175.825 176.300 -0.129 0.000 1.014 13 R CA -0.013 56.004 56.100 -0.138 0.000 0.946 13 R CB 2.515 32.648 30.300 -0.279 0.000 1.208 13 R HN 1.010 nan 8.270 nan 0.000 0.477 14 G N 1.374 110.101 108.800 -0.122 0.000 2.721 14 G HA2 0.508 4.468 3.960 -0.000 0.000 0.296 14 G HA3 0.508 4.468 3.960 -0.000 0.000 0.296 14 G C -2.721 172.136 174.900 -0.071 0.000 1.383 14 G CA -1.017 44.035 45.100 -0.081 0.000 0.788 14 G HN 0.451 nan 8.290 nan 0.000 0.500 15 P HA 0.395 nan 4.420 nan 0.000 0.282 15 P C -0.183 177.228 177.300 0.185 0.000 1.273 15 P CA 0.055 63.185 63.100 0.049 0.000 0.809 15 P CB 0.271 31.992 31.700 0.035 0.000 1.246 16 A N 0.331 123.275 122.820 0.207 0.000 2.260 16 A HA 0.237 4.557 4.320 -0.000 0.000 0.308 16 A C -0.204 177.430 177.584 0.083 0.000 1.254 16 A CA -0.241 51.914 52.037 0.197 0.000 0.874 16 A CB -0.309 18.782 19.000 0.152 0.000 1.153 16 A HN 0.401 nan 8.150 nan 0.000 0.527 17 D N 3.518 123.953 120.400 0.058 0.000 2.402 17 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 17 D C 0.793 177.093 176.300 0.001 0.000 1.226 17 D CA -0.380 53.633 54.000 0.022 0.000 0.918 17 D CB 0.512 41.319 40.800 0.013 0.000 1.043 17 D HN 0.358 nan 8.370 nan 0.000 0.506 18 L N 2.987 124.210 121.223 0.000 0.000 2.784 18 L HA 0.119 4.459 4.340 -0.000 0.000 0.247 18 L C 1.382 178.241 176.870 -0.018 0.000 1.162 18 L CA 0.604 55.439 54.840 -0.009 0.000 0.881 18 L CB -2.175 39.882 42.059 -0.003 0.000 1.032 18 L HN 0.621 nan 8.230 nan 0.000 0.446 19 G N -0.422 108.365 108.800 -0.023 0.000 2.797 19 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 19 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.686 19 G C 0.436 175.313 174.900 -0.039 0.000 1.452 19 G CA -0.445 44.634 45.100 -0.035 0.000 0.986 19 G HN 0.029 nan 8.290 nan 0.000 0.595 20 M N 0.512 120.083 119.600 -0.049 0.000 1.685 20 M HA 0.127 4.607 4.480 -0.000 0.000 0.093 20 M C 1.762 178.028 176.300 -0.056 0.000 1.023 20 M CA 1.840 57.108 55.300 -0.053 0.000 0.381 20 M CB -1.558 31.003 32.600 -0.065 0.000 0.676 20 M HN 0.959 nan 8.290 nan 0.000 0.185 21 T N -3.162 111.354 114.554 -0.063 0.000 3.491 21 T HA 0.058 4.408 4.350 -0.000 0.000 0.284 21 T C 0.330 174.984 174.700 -0.076 0.000 0.905 21 T CA 0.084 62.147 62.100 -0.062 0.000 1.017 21 T CB 0.525 69.368 68.868 -0.043 0.000 1.202 21 T HN 0.531 nan 8.240 nan 0.000 0.518 22 E N 1.895 122.051 120.200 -0.072 0.000 3.521 22 E HA -0.262 4.088 4.350 -0.000 0.000 0.371 22 E C 0.231 176.785 176.600 -0.076 0.000 1.564 22 E CA 1.771 58.124 56.400 -0.077 0.000 1.834 22 E CB -1.142 28.500 29.700 -0.097 0.000 1.742 22 E HN 0.439 nan 8.360 nan 0.000 0.445 23 D N 0.897 121.242 120.400 -0.092 0.000 2.312 23 D HA 0.026 4.666 4.640 -0.000 0.000 0.211 23 D C 0.738 176.982 176.300 -0.094 0.000 0.964 23 D CA 0.361 54.309 54.000 -0.087 0.000 0.877 23 D CB -0.059 40.683 40.800 -0.097 0.000 0.924 23 D HN 0.006 nan 8.370 nan 0.000 0.515 24 V N 2.337 122.175 119.914 -0.127 0.000 2.843 24 V HA -0.152 3.968 4.120 -0.000 0.000 0.305 24 V C 0.923 176.988 176.094 -0.047 0.000 1.120 24 V CA 0.173 62.382 62.300 -0.152 0.000 1.254 24 V CB 0.305 32.015 31.823 -0.189 0.000 0.901 24 V HN 0.151 nan 8.190 nan 0.000 0.503 25 N N 4.676 123.395 118.700 0.031 0.000 2.521 25 N HA 0.181 4.920 4.740 -0.000 0.000 0.236 25 N C 0.717 176.316 175.510 0.148 0.000 1.067 25 N CA -0.087 53.021 53.050 0.096 0.000 0.939 25 N CB 0.731 39.299 38.487 0.136 0.000 1.201 25 N HN 0.659 nan 8.380 nan 0.000 0.511 26 L N 2.254 123.520 121.223 0.072 0.000 2.450 26 L HA -0.132 4.208 4.340 -0.000 0.000 0.224 26 L C 2.146 179.042 176.870 0.042 0.000 1.149 26 L CA 0.721 55.599 54.840 0.064 0.000 0.816 26 L CB -0.345 41.729 42.059 0.025 0.000 0.932 26 L HN 0.526 nan 8.230 nan 0.000 0.449 27 A N 0.584 123.422 122.820 0.029 0.000 1.902 27 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 27 A C 1.812 179.367 177.584 -0.047 0.000 1.181 27 A CA 1.554 53.587 52.037 -0.007 0.000 0.623 27 A CB -0.386 18.608 19.000 -0.009 0.000 0.818 27 A HN 0.457 nan 8.150 nan 0.000 0.443 28 N N 0.075 118.725 118.700 -0.083 0.000 2.434 28 N HA 0.020 4.760 4.740 -0.000 0.000 0.196 28 N C 0.284 175.631 175.510 -0.272 0.000 1.183 28 N CA 0.183 53.074 53.050 -0.265 0.000 0.849 28 N CB -0.035 38.112 38.487 -0.567 0.000 0.992 28 N HN 0.452 nan 8.380 nan 0.000 0.460 29 R N 0.737 121.194 120.500 -0.072 0.000 2.531 29 R HA 0.197 4.537 4.340 -0.000 0.000 0.273 29 R C 0.672 176.944 176.300 -0.047 0.000 1.070 29 R CA -0.122 55.970 56.100 -0.013 0.000 1.112 29 R CB 0.810 31.141 30.300 0.051 0.000 1.049 29 R HN 0.130 nan 8.270 nan 0.000 0.508 30 S N 0.207 115.884 115.700 -0.039 0.000 2.730 30 S HA 0.523 4.993 4.470 -0.000 0.000 0.284 30 S C 0.380 174.964 174.600 -0.026 0.000 1.153 30 S CA -0.878 57.298 58.200 -0.040 0.000 0.995 30 S CB 1.555 64.731 63.200 -0.041 0.000 1.058 30 S HN 0.659 nan 8.310 nan 0.000 0.552 31 G N -0.181 108.604 108.800 -0.025 0.000 2.503 31 G HA2 0.474 4.434 3.960 -0.000 0.000 0.257 31 G HA3 0.474 4.434 3.960 -0.000 0.000 0.257 31 G C -0.305 174.578 174.900 -0.028 0.000 1.214 31 G CA -0.721 44.367 45.100 -0.020 0.000 0.839 31 G HN 0.716 nan 8.290 nan 0.000 0.559 32 V N 0.874 120.770 119.914 -0.029 0.000 2.963 32 V HA 0.439 4.559 4.120 -0.000 0.000 0.306 32 V C 1.411 177.467 176.094 -0.064 0.000 1.077 32 V CA 0.619 62.884 62.300 -0.058 0.000 1.124 32 V CB 1.054 32.842 31.823 -0.058 0.000 0.987 32 V HN 0.955 nan 8.190 nan 0.000 0.487 33 G N 3.507 112.242 108.800 -0.109 0.000 2.583 33 G HA2 0.645 4.605 3.960 -0.000 0.000 0.280 33 G HA3 0.645 4.605 3.960 -0.000 0.000 0.280 33 G C -2.491 172.331 174.900 -0.130 0.000 1.376 33 G CA -0.961 44.084 45.100 -0.092 0.000 1.043 33 G HN 0.637 nan 8.290 nan 0.000 0.538 34 P HA 0.426 nan 4.420 nan 0.000 0.278 34 P C -1.336 175.909 177.300 -0.092 0.000 1.266 34 P CA -0.432 62.675 63.100 0.011 0.000 0.807 34 P CB 1.100 32.839 31.700 0.065 0.000 1.094 35 F N -0.440 119.515 119.950 0.008 0.000 2.421 35 F HA 0.351 4.878 4.527 -0.000 0.000 0.337 35 F C 1.328 177.139 175.800 0.018 0.000 1.105 35 F CA -0.263 57.741 58.000 0.008 0.000 1.049 35 F CB 1.402 40.401 39.000 -0.001 0.000 1.139 35 F HN 0.136 nan 8.300 nan 0.000 0.479 36 S N 0.969 116.770 115.700 0.169 0.000 2.525 36 S HA 0.333 4.803 4.470 -0.000 0.000 0.290 36 S C 0.611 175.301 174.600 0.150 0.000 1.152 36 S CA -0.462 57.820 58.200 0.136 0.000 1.072 36 S CB 1.171 64.431 63.200 0.100 0.000 1.027 36 S HN 0.690 nan 8.310 nan 0.000 0.500 37 T N 4.807 119.457 114.554 0.160 0.000 3.107 37 T HA 0.107 4.457 4.350 -0.000 0.000 0.249 37 T C 1.193 176.092 174.700 0.332 0.000 1.096 37 T CA 0.005 62.217 62.100 0.187 0.000 1.012 37 T CB -0.161 68.837 68.868 0.215 0.000 0.977 37 T HN 0.451 nan 8.240 nan 0.000 0.527 38 L N 1.310 122.689 121.223 0.260 0.000 2.038 38 L HA 0.317 4.656 4.340 -0.000 0.000 0.205 38 L C 2.017 179.088 176.870 0.335 0.000 1.151 38 L CA 1.352 56.379 54.840 0.310 0.000 0.799 38 L CB -1.028 41.127 42.059 0.159 0.000 0.926 38 L HN 0.126 nan 8.230 nan 0.000 0.457 39 L N 0.234 121.584 121.223 0.212 0.000 2.256 39 L HA -0.289 4.051 4.340 -0.000 0.000 0.218 39 L C 2.281 179.281 176.870 0.217 0.000 1.089 39 L CA 1.266 56.238 54.840 0.220 0.000 0.777 39 L CB -1.584 40.564 42.059 0.148 0.000 0.890 39 L HN 0.653 nan 8.230 nan 0.000 0.439 40 G N -0.889 107.970 108.800 0.099 0.000 2.479 40 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 40 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 40 G C 0.954 175.690 174.900 -0.274 0.000 1.115 40 G CA 0.451 45.482 45.100 -0.114 0.000 0.757 40 G HN 0.472 nan 8.290 nan 0.000 0.560 41 W N -1.444 119.971 121.300 0.193 0.000 2.658 41 W HA 0.387 5.047 4.660 -0.000 0.000 0.263 41 W C 1.855 178.709 176.519 0.560 0.000 1.274 41 W CA -0.594 56.909 57.345 0.263 0.000 1.343 41 W CB -0.150 29.341 29.460 0.051 0.000 1.106 41 W HN 0.064 nan 8.180 nan 0.000 0.615 42 F N -0.525 119.646 119.950 0.368 0.000 2.389 42 F HA 0.417 4.944 4.527 -0.000 0.000 0.275 42 F C 1.829 177.703 175.800 0.123 0.000 1.009 42 F CA 1.205 59.379 58.000 0.290 0.000 1.187 42 F CB -0.749 38.415 39.000 0.273 0.000 1.139 42 F HN -0.228 nan 8.300 nan 0.000 0.613 43 G N -0.921 108.001 108.800 0.204 0.000 3.356 43 G HA2 0.202 4.162 3.960 -0.000 0.000 0.178 43 G HA3 0.202 4.162 3.960 -0.000 0.000 0.178 43 G C -0.752 174.174 174.900 0.042 0.000 1.130 43 G CA -0.526 44.601 45.100 0.045 0.000 0.800 43 G HN 0.066 nan 8.290 nan 0.000 0.669 44 N N 0.184 118.901 118.700 0.028 0.000 2.371 44 N HA 0.438 5.178 4.740 -0.000 0.000 0.243 44 N C 0.713 176.248 175.510 0.042 0.000 1.287 44 N CA 0.453 53.517 53.050 0.024 0.000 0.911 44 N CB 1.371 39.862 38.487 0.008 0.000 1.142 44 N HN 0.537 nan 8.380 nan 0.000 0.451 45 A N -0.233 122.623 122.820 0.060 0.000 2.419 45 A HA 0.058 4.378 4.320 -0.000 0.000 0.233 45 A C 0.572 178.182 177.584 0.043 0.000 1.217 45 A CA -0.051 52.041 52.037 0.093 0.000 0.944 45 A CB -0.130 18.957 19.000 0.145 0.000 1.025 45 A HN 0.661 nan 8.150 nan 0.000 0.524 46 Q N 0.754 120.529 119.800 -0.041 0.000 2.286 46 Q HA 0.540 4.880 4.340 -0.000 0.000 0.257 46 Q C -1.324 174.526 176.000 -0.250 0.000 0.941 46 Q CA -0.091 55.525 55.803 -0.312 0.000 0.912 46 Q CB 0.535 29.140 28.738 -0.221 0.000 1.192 46 Q HN 0.492 nan 8.270 nan 0.000 0.410 47 L N 3.841 124.859 121.223 -0.342 0.000 2.329 47 L HA 0.700 5.039 4.340 -0.000 0.000 0.279 47 L C 0.456 177.207 176.870 -0.199 0.000 1.014 47 L CA -0.212 54.508 54.840 -0.199 0.000 0.814 47 L CB 1.712 43.680 42.059 -0.153 0.000 1.257 47 L HN 1.017 nan 8.230 nan 0.000 0.424 48 G N 3.197 111.924 108.800 -0.122 0.000 2.828 48 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.463 48 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.463 48 G C -2.863 171.980 174.900 -0.095 0.000 1.394 48 G CA -0.732 44.310 45.100 -0.095 0.000 0.862 48 G HN 0.486 nan 8.290 nan 0.000 0.540 49 P HA 0.701 nan 4.420 nan 0.000 0.302 49 P C -0.533 176.754 177.300 -0.022 0.000 1.307 49 P CA -0.475 62.600 63.100 -0.042 0.000 0.754 49 P CB 1.088 32.772 31.700 -0.026 0.000 1.298 50 I N -0.329 120.237 120.570 -0.007 0.000 2.619 50 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 50 I C -1.446 174.693 176.117 0.037 0.000 1.100 50 I CA -1.187 60.121 61.300 0.014 0.000 1.043 50 I CB 1.687 39.687 38.000 0.000 0.000 1.239 50 I HN 0.337 nan 8.210 nan 0.000 0.420 51 Y N 7.780 128.044 120.300 -0.059 0.000 2.454 51 Y HA 0.483 5.033 4.550 -0.000 0.000 0.345 51 Y C -0.840 175.025 175.900 -0.057 0.000 0.970 51 Y CA -0.341 57.719 58.100 -0.065 0.000 1.204 51 Y CB 0.667 39.072 38.460 -0.091 0.000 1.122 51 Y HN 0.405 nan 8.280 nan 0.000 0.514 52 L N 7.611 128.557 121.223 -0.462 0.000 2.426 52 L HA 0.446 4.786 4.340 -0.000 0.000 0.255 52 L C 0.971 177.559 176.870 -0.470 0.000 1.080 52 L CA -0.473 54.175 54.840 -0.322 0.000 0.960 52 L CB 0.347 42.307 42.059 -0.165 0.000 1.326 52 L HN 0.848 nan 8.230 nan 0.000 0.441 53 G N 0.372 108.889 108.800 -0.473 0.000 2.468 53 G HA2 0.095 4.055 3.960 -0.000 0.000 0.264 53 G HA3 0.095 4.055 3.960 -0.000 0.000 0.264 53 G C 0.869 175.702 174.900 -0.113 0.000 1.460 53 G CA -0.123 44.804 45.100 -0.289 0.000 1.060 53 G HN 0.453 nan 8.290 nan 0.000 0.543 54 S N -0.877 114.799 115.700 -0.040 0.000 2.387 54 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 54 S C 2.358 176.967 174.600 0.014 0.000 1.026 54 S CA 0.562 58.752 58.200 -0.016 0.000 0.972 54 S CB -0.307 62.893 63.200 0.000 0.000 0.814 54 S HN 0.288 nan 8.310 nan 0.000 0.477 55 L N 2.037 123.280 121.223 0.033 0.000 2.017 55 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 55 L C 2.515 179.429 176.870 0.074 0.000 1.073 55 L CA 1.729 56.602 54.840 0.056 0.000 0.745 55 L CB -1.319 40.767 42.059 0.045 0.000 0.894 55 L HN 0.377 nan 8.230 nan 0.000 0.432 56 G N -1.353 107.477 108.800 0.050 0.000 2.503 56 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.221 56 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.221 56 G C 1.559 176.520 174.900 0.102 0.000 1.131 56 G CA 1.233 46.384 45.100 0.085 0.000 0.756 56 G HN 0.311 nan 8.290 nan 0.000 0.572 57 V N 0.402 120.347 119.914 0.053 0.000 2.239 57 V HA -0.074 4.046 4.120 -0.000 0.000 0.242 57 V C 2.548 178.712 176.094 0.116 0.000 1.038 57 V CA 1.453 63.788 62.300 0.058 0.000 1.002 57 V CB -0.636 31.190 31.823 0.005 0.000 0.641 57 V HN 0.353 nan 8.190 nan 0.000 0.449 58 L N 0.454 121.741 121.223 0.108 0.000 1.981 58 L HA -0.305 4.035 4.340 -0.000 0.000 0.237 58 L C 2.698 179.667 176.870 0.166 0.000 1.095 58 L CA 2.671 57.604 54.840 0.154 0.000 0.820 58 L CB -1.282 40.849 42.059 0.119 0.000 0.914 58 L HN 0.416 nan 8.230 nan 0.000 0.442 59 S N -1.314 114.473 115.700 0.144 0.000 2.406 59 S HA -0.308 4.162 4.470 -0.000 0.000 0.242 59 S C 2.011 176.631 174.600 0.033 0.000 1.079 59 S CA 2.312 60.587 58.200 0.126 0.000 1.133 59 S CB -0.783 62.598 63.200 0.302 0.000 1.005 59 S HN 0.427 nan 8.310 nan 0.000 0.443 60 L N 0.443 121.707 121.223 0.070 0.000 2.083 60 L HA 0.074 4.414 4.340 -0.000 0.000 0.209 60 L C 1.968 178.821 176.870 -0.027 0.000 1.083 60 L CA 2.050 56.877 54.840 -0.021 0.000 0.752 60 L CB -0.989 41.083 42.059 0.021 0.000 0.899 60 L HN 0.511 nan 8.230 nan 0.000 0.433 61 F N -0.108 119.793 119.950 -0.080 0.000 2.051 61 F HA -0.208 4.319 4.527 -0.000 0.000 0.296 61 F C 2.495 178.192 175.800 -0.172 0.000 1.122 61 F CA 1.968 59.906 58.000 -0.104 0.000 1.201 61 F CB -0.839 38.117 39.000 -0.074 0.000 0.978 61 F HN 0.082 nan 8.300 nan 0.000 0.472 62 S N 0.413 115.841 115.700 -0.452 0.000 2.399 62 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 62 S C 2.331 176.696 174.600 -0.392 0.000 1.022 62 S CA 0.933 58.779 58.200 -0.590 0.000 0.983 62 S CB -1.262 61.816 63.200 -0.205 0.000 0.803 62 S HN 0.652 nan 8.310 nan 0.000 0.480 63 G N 1.879 110.510 108.800 -0.282 0.000 2.469 63 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 63 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 63 G C 1.300 176.113 174.900 -0.144 0.000 1.150 63 G CA 0.815 45.774 45.100 -0.235 0.000 0.763 63 G HN 0.425 nan 8.290 nan 0.000 0.561 64 L N -0.472 120.562 121.223 -0.316 0.000 1.993 64 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 64 L C 3.083 179.704 176.870 -0.416 0.000 1.074 64 L CA 0.725 55.276 54.840 -0.482 0.000 0.746 64 L CB -0.446 41.216 42.059 -0.661 0.000 0.896 64 L HN 0.081 nan 8.230 nan 0.000 0.435 65 M N -0.666 118.646 119.600 -0.481 0.000 2.190 65 M HA -0.342 4.138 4.480 -0.000 0.000 0.252 65 M C 2.019 178.333 176.300 0.024 0.000 1.076 65 M CA 2.137 57.240 55.300 -0.328 0.000 1.079 65 M CB -1.607 30.323 32.600 -1.117 0.000 1.303 65 M HN 0.484 nan 8.290 nan 0.000 0.412 66 W N 0.557 121.779 121.300 -0.131 0.000 2.289 66 W HA -0.314 4.346 4.660 -0.000 0.000 0.328 66 W C 2.335 178.838 176.519 -0.026 0.000 1.241 66 W CA 2.084 59.430 57.345 0.003 0.000 1.221 66 W CB -1.243 28.164 29.460 -0.088 0.000 1.175 66 W HN 0.217 nan 8.180 nan 0.000 0.457 67 F N 0.239 120.083 119.950 -0.177 0.000 2.184 67 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 67 F C 1.965 177.593 175.800 -0.288 0.000 1.076 67 F CA 1.644 59.333 58.000 -0.519 0.000 1.295 67 F CB -1.057 37.807 39.000 -0.225 0.000 1.026 67 F HN -0.086 nan 8.300 nan 0.000 0.494 68 F N 0.240 120.064 119.950 -0.211 0.000 2.094 68 F HA -0.094 4.433 4.527 -0.000 0.000 0.291 68 F C 2.671 178.358 175.800 -0.189 0.000 1.109 68 F CA 1.688 59.547 58.000 -0.236 0.000 1.221 68 F CB -1.533 37.405 39.000 -0.104 0.000 1.014 68 F HN -0.206 nan 8.300 nan 0.000 0.473 69 T N 1.202 115.817 114.554 0.102 0.000 2.751 69 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 69 T C 2.081 176.773 174.700 -0.013 0.000 1.045 69 T CA 1.374 63.516 62.100 0.069 0.000 1.142 69 T CB -0.299 68.620 68.868 0.083 0.000 0.851 69 T HN 0.013 nan 8.240 nan 0.000 0.474 70 I N 0.976 121.408 120.570 -0.231 0.000 2.439 70 I HA 0.004 4.174 4.170 -0.000 0.000 0.251 70 I C 2.793 178.806 176.117 -0.174 0.000 1.139 70 I CA 0.997 62.138 61.300 -0.265 0.000 1.438 70 I CB -1.807 35.815 38.000 -0.630 0.000 1.085 70 I HN 0.291 nan 8.210 nan 0.000 0.427 71 G N 1.930 110.606 108.800 -0.206 0.000 2.453 71 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 71 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 71 G C 1.641 176.755 174.900 0.355 0.000 1.201 71 G CA 0.336 45.440 45.100 0.005 0.000 0.784 71 G HN 0.125 nan 8.290 nan 0.000 0.545 72 I N 0.153 120.890 120.570 0.277 0.000 2.093 72 I HA -0.243 3.927 4.170 -0.000 0.000 0.239 72 I C 2.478 178.801 176.117 0.343 0.000 1.026 72 I CA 1.556 63.050 61.300 0.322 0.000 1.295 72 I CB -1.260 36.894 38.000 0.257 0.000 1.007 72 I HN 0.484 nan 8.210 nan 0.000 0.401 73 W N 0.978 122.371 121.300 0.155 0.000 2.350 73 W HA -0.279 4.381 4.660 -0.000 0.000 0.289 73 W C 2.448 179.049 176.519 0.136 0.000 1.215 73 W CA 1.135 58.563 57.345 0.138 0.000 1.236 73 W CB -0.540 28.998 29.460 0.130 0.000 1.130 73 W HN 0.040 nan 8.180 nan 0.000 0.541 74 F N -0.646 119.262 119.950 -0.070 0.000 2.234 74 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 74 F C 1.959 177.313 175.800 -0.742 0.000 1.087 74 F CA 1.469 59.136 58.000 -0.555 0.000 1.340 74 F CB -1.317 37.355 39.000 -0.547 0.000 1.031 74 F HN -0.170 nan 8.300 nan 0.000 0.500 75 W N -1.930 119.292 121.300 -0.130 0.000 2.467 75 W HA -0.172 4.488 4.660 -0.000 0.000 0.275 75 W C 2.438 178.323 176.519 -1.056 0.000 1.239 75 W CA 1.185 58.290 57.345 -0.400 0.000 1.266 75 W CB -0.783 28.489 29.460 -0.313 0.000 1.112 75 W HN 0.082 nan 8.180 nan 0.000 0.576 76 Y N 1.163 120.886 120.300 -0.960 0.000 2.184 76 Y HA -0.257 4.293 4.550 -0.000 0.000 0.290 76 Y C 2.311 177.706 175.900 -0.842 0.000 1.129 76 Y CA 2.109 59.516 58.100 -1.156 0.000 1.144 76 Y CB -0.542 37.440 38.460 -0.795 0.000 0.995 76 Y HN -0.043 nan 8.280 nan 0.000 0.513 77 Q N -0.076 119.327 119.800 -0.662 0.000 2.119 77 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 77 Q C 2.217 178.068 176.000 -0.248 0.000 0.972 77 Q CA 1.144 56.685 55.803 -0.435 0.000 0.847 77 Q CB -0.319 28.282 28.738 -0.230 0.000 0.903 77 Q HN 0.573 nan 8.270 nan 0.000 0.433 78 A N 0.625 123.263 122.820 -0.304 0.000 2.239 78 A HA 0.214 4.534 4.320 -0.000 0.000 0.209 78 A C 1.444 178.942 177.584 -0.143 0.000 1.171 78 A CA 0.705 52.709 52.037 -0.054 0.000 0.768 78 A CB -0.704 18.262 19.000 -0.057 0.000 0.790 78 A HN 0.475 nan 8.150 nan 0.000 0.478 79 G N -2.322 106.255 108.800 -0.371 0.000 2.249 79 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.273 79 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.273 79 G C 0.259 175.161 174.900 0.004 0.000 1.036 79 G CA 0.254 45.184 45.100 -0.283 0.000 0.824 79 G HN 1.180 nan 8.290 nan 0.000 0.504 80 W N -2.445 118.899 121.300 0.074 0.000 3.834 80 W HA -0.192 4.468 4.660 -0.000 0.000 0.320 80 W C 0.547 177.198 176.519 0.220 0.000 1.201 80 W CA 0.270 57.747 57.345 0.220 0.000 0.701 80 W CB -1.987 27.523 29.460 0.083 0.000 2.264 80 W HN 0.606 nan 8.180 nan 0.000 1.413 81 N N 0.502 119.362 118.700 0.267 0.000 2.444 81 N HA 0.261 5.001 4.740 -0.000 0.000 0.262 81 N C -1.124 174.492 175.510 0.177 0.000 0.974 81 N CA -2.149 51.027 53.050 0.210 0.000 0.933 81 N CB 1.686 40.250 38.487 0.128 0.000 1.137 81 N HN -0.274 nan 8.380 nan 0.000 0.498 82 P HA -0.168 nan 4.420 nan 0.000 0.213 82 P C 0.907 178.322 177.300 0.191 0.000 1.176 82 P CA 2.091 65.304 63.100 0.189 0.000 0.919 82 P CB 0.171 32.003 31.700 0.219 0.000 0.791 83 A N -0.722 122.189 122.820 0.152 0.000 1.903 83 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 83 A C 2.355 180.017 177.584 0.129 0.000 1.191 83 A CA 2.566 54.678 52.037 0.125 0.000 0.638 83 A CB -1.926 17.126 19.000 0.086 0.000 0.823 83 A HN 0.035 nan 8.150 nan 0.000 0.451 84 V N -1.239 118.751 119.914 0.127 0.000 2.219 84 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 84 V C 2.212 178.441 176.094 0.224 0.000 1.053 84 V CA 2.458 64.835 62.300 0.128 0.000 1.009 84 V CB -1.178 30.723 31.823 0.131 0.000 0.636 84 V HN 0.596 nan 8.190 nan 0.000 0.445 85 F N -0.025 119.949 119.950 0.040 0.000 2.079 85 F HA -0.296 4.231 4.527 -0.000 0.000 0.296 85 F C 2.159 178.045 175.800 0.144 0.000 1.084 85 F CA 1.977 59.956 58.000 -0.035 0.000 1.236 85 F CB -0.280 38.408 39.000 -0.520 0.000 0.984 85 F HN 0.008 nan 8.300 nan 0.000 0.488 86 L N -0.487 120.879 121.223 0.238 0.000 2.217 86 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 86 L C 2.474 179.404 176.870 0.100 0.000 1.107 86 L CA 1.473 56.415 54.840 0.169 0.000 0.783 86 L CB -1.148 41.020 42.059 0.181 0.000 0.919 86 L HN 0.245 nan 8.230 nan 0.000 0.442 87 R N 0.449 120.998 120.500 0.081 0.000 2.052 87 R HA -0.096 4.244 4.340 -0.000 0.000 0.224 87 R C 1.093 177.399 176.300 0.010 0.000 1.165 87 R CA 1.320 57.430 56.100 0.016 0.000 0.939 87 R CB 0.109 30.403 30.300 -0.010 0.000 0.834 87 R HN 0.201 nan 8.270 nan 0.000 0.435 88 D N 1.519 121.875 120.400 -0.073 0.000 2.324 88 D HA -0.059 4.581 4.640 -0.000 0.000 0.235 88 D C 1.504 177.626 176.300 -0.297 0.000 1.095 88 D CA 0.029 53.861 54.000 -0.280 0.000 0.871 88 D CB 0.165 40.423 40.800 -0.903 0.000 0.906 88 D HN 0.141 nan 8.370 nan 0.000 0.522 89 L N 0.142 121.474 121.223 0.181 0.000 2.064 89 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 89 L C 1.543 178.736 176.870 0.539 0.000 1.077 89 L CA 1.740 56.846 54.840 0.443 0.000 0.766 89 L CB -0.507 41.774 42.059 0.371 0.000 0.890 89 L HN -0.038 nan 8.230 nan 0.000 0.435 90 F N -1.787 118.083 119.950 -0.133 0.000 2.335 90 F HA 0.006 4.533 4.527 -0.000 0.000 0.296 90 F C 2.042 177.592 175.800 -0.417 0.000 1.091 90 F CA 0.425 58.124 58.000 -0.501 0.000 1.399 90 F CB -1.171 37.143 39.000 -1.143 0.000 1.067 90 F HN 0.012 nan 8.300 nan 0.000 0.520 91 F N -1.514 118.450 119.950 0.022 0.000 2.710 91 F HA 0.087 4.614 4.527 -0.000 0.000 0.298 91 F C 0.866 176.555 175.800 -0.185 0.000 1.137 91 F CA -0.566 57.422 58.000 -0.020 0.000 1.444 91 F CB -1.195 37.733 39.000 -0.121 0.000 1.111 91 F HN -0.299 nan 8.300 nan 0.000 0.580 92 F N 0.615 120.491 119.950 -0.123 0.000 2.539 92 F HA 0.299 4.826 4.527 -0.000 0.000 0.340 92 F C 0.817 176.440 175.800 -0.294 0.000 1.185 92 F CA -0.239 57.394 58.000 -0.612 0.000 1.333 92 F CB 0.345 38.126 39.000 -2.033 0.000 1.152 92 F HN -0.215 nan 8.300 nan 0.000 0.602 93 S N 2.072 117.857 115.700 0.142 0.000 2.586 93 S HA 0.385 4.855 4.470 -0.000 0.000 0.296 93 S C -1.840 173.063 174.600 0.505 0.000 1.120 93 S CA -0.898 57.543 58.200 0.402 0.000 0.927 93 S CB 0.631 64.021 63.200 0.316 0.000 1.114 93 S HN 0.622 nan 8.310 nan 0.000 0.453 94 L N 4.802 126.308 121.223 0.472 0.000 2.328 94 L HA 0.558 4.898 4.340 -0.000 0.000 0.280 94 L C 0.202 177.215 176.870 0.238 0.000 1.111 94 L CA 0.198 55.132 54.840 0.156 0.000 0.909 94 L CB 0.231 42.353 42.059 0.105 0.000 1.277 94 L HN 0.685 nan 8.230 nan 0.000 0.433 95 E N 5.787 126.060 120.200 0.120 0.000 2.392 95 E HA 0.281 4.631 4.350 -0.000 0.000 0.259 95 E C -2.298 174.152 176.600 -0.249 0.000 1.108 95 E CA -1.573 54.839 56.400 0.019 0.000 0.916 95 E CB 0.142 29.864 29.700 0.037 0.000 0.989 95 E HN 0.448 nan 8.360 nan 0.000 0.432 96 P HA 0.130 nan 4.420 nan 0.000 0.274 96 P C -2.420 174.567 177.300 -0.522 0.000 1.260 96 P CA -1.020 61.311 63.100 -1.283 0.000 0.793 96 P CB -0.448 30.481 31.700 -1.285 0.000 1.048 97 P HA 0.114 nan 4.420 nan 0.000 0.275 97 P C -0.532 176.756 177.300 -0.019 0.000 1.266 97 P CA -0.144 62.862 63.100 -0.156 0.000 0.793 97 P CB 0.272 31.916 31.700 -0.093 0.000 1.074 98 A N 1.468 124.388 122.820 0.167 0.000 2.388 98 A HA 0.333 4.653 4.320 -0.000 0.000 0.257 98 A C -1.359 176.333 177.584 0.180 0.000 1.095 98 A CA -1.341 50.825 52.037 0.216 0.000 0.791 98 A CB -1.002 18.173 19.000 0.290 0.000 1.029 98 A HN 0.349 nan 8.150 nan 0.000 0.489 99 P HA -0.250 nan 4.420 nan 0.000 0.219 99 P C 0.837 178.082 177.300 -0.092 0.000 1.153 99 P CA 1.974 65.051 63.100 -0.037 0.000 0.865 99 P CB 0.207 31.875 31.700 -0.054 0.000 0.788 100 E N -2.018 118.090 120.200 -0.153 0.000 2.077 100 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 100 E C 1.795 178.183 176.600 -0.354 0.000 0.989 100 E CA 1.246 57.465 56.400 -0.302 0.000 0.800 100 E CB -1.071 28.351 29.700 -0.464 0.000 0.746 100 E HN 0.461 nan 8.360 nan 0.000 0.452 101 Y N 0.117 120.370 120.300 -0.079 0.000 2.421 101 Y HA 0.013 4.563 4.550 -0.000 0.000 0.292 101 Y C 1.972 177.763 175.900 -0.182 0.000 1.136 101 Y CA 0.718 58.763 58.100 -0.092 0.000 1.255 101 Y CB -0.668 37.766 38.460 -0.043 0.000 0.991 101 Y HN 0.137 nan 8.280 nan 0.000 0.552 102 G N 1.038 109.777 108.800 -0.102 0.000 2.672 102 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.332 102 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.332 102 G C 0.330 174.897 174.900 -0.554 0.000 1.213 102 G CA 0.866 45.809 45.100 -0.262 0.000 0.980 102 G HN 0.295 nan 8.290 nan 0.000 0.548 103 L N 1.925 122.716 121.223 -0.720 0.000 3.096 103 L HA 0.506 4.846 4.340 -0.000 0.000 0.272 103 L C 0.722 177.107 176.870 -0.808 0.000 1.311 103 L CA 0.204 54.243 54.840 -1.336 0.000 0.943 103 L CB 0.762 42.139 42.059 -1.136 0.000 1.348 103 L HN 0.635 nan 8.230 nan 0.000 0.562 104 S N -1.377 114.033 115.700 -0.483 0.000 2.638 104 S HA 0.620 5.090 4.470 -0.000 0.000 0.298 104 S C -0.294 174.158 174.600 -0.247 0.000 1.111 104 S CA -0.517 57.552 58.200 -0.218 0.000 1.027 104 S CB 1.277 64.468 63.200 -0.015 0.000 1.064 104 S HN 0.162 nan 8.310 nan 0.000 0.525 105 F N 0.834 120.892 119.950 0.179 0.000 2.975 105 F HA 0.572 5.099 4.527 -0.000 0.000 0.311 105 F C 1.235 177.090 175.800 0.092 0.000 1.239 105 F CA -0.510 57.587 58.000 0.163 0.000 1.282 105 F CB 0.115 39.192 39.000 0.128 0.000 1.071 105 F HN 0.845 nan 8.300 nan 0.000 0.516 106 A N 0.041 122.963 122.820 0.170 0.000 2.138 106 A HA 0.600 4.920 4.320 -0.000 0.000 0.203 106 A C 1.436 179.044 177.584 0.040 0.000 1.286 106 A CA 0.320 52.434 52.037 0.128 0.000 0.929 106 A CB -0.405 18.686 19.000 0.152 0.000 0.975 106 A HN 0.260 nan 8.150 nan 0.000 0.480 107 A N 2.236 125.011 122.820 -0.075 0.000 2.608 107 A HA 0.281 4.601 4.320 -0.000 0.000 0.247 107 A C -1.893 175.549 177.584 -0.237 0.000 0.972 107 A CA 0.256 52.029 52.037 -0.442 0.000 0.838 107 A CB -0.690 18.049 19.000 -0.434 0.000 0.856 107 A HN 0.397 nan 8.150 nan 0.000 0.478 108 P HA 0.125 nan 4.420 nan 0.000 0.271 108 P C 1.186 178.436 177.300 -0.083 0.000 1.216 108 P CA -0.352 62.696 63.100 -0.087 0.000 0.776 108 P CB 0.675 32.354 31.700 -0.035 0.000 0.881 109 L N 2.496 123.703 121.223 -0.027 0.000 1.987 109 L HA -0.289 4.051 4.340 -0.000 0.000 0.230 109 L C 2.353 179.188 176.870 -0.058 0.000 1.089 109 L CA 2.273 57.099 54.840 -0.023 0.000 0.802 109 L CB -1.015 41.060 42.059 0.027 0.000 0.905 109 L HN 0.469 nan 8.230 nan 0.000 0.441 110 K N -0.121 120.289 120.400 0.017 0.000 2.442 110 K HA -0.119 4.201 4.320 -0.000 0.000 0.199 110 K C -0.062 176.539 176.600 0.002 0.000 1.044 110 K CA 0.848 57.190 56.287 0.091 0.000 0.941 110 K CB -0.097 32.515 32.500 0.187 0.000 0.759 110 K HN 0.490 nan 8.250 nan 0.000 0.472 111 E N -0.424 119.726 120.200 -0.083 0.000 3.132 111 E HA 0.221 4.571 4.350 -0.000 0.000 0.241 111 E C 0.147 176.618 176.600 -0.215 0.000 1.196 111 E CA -0.236 56.097 56.400 -0.111 0.000 0.869 111 E CB 1.360 31.027 29.700 -0.054 0.000 1.387 111 E HN 0.233 nan 8.360 nan 0.000 0.393 112 G N 1.732 110.423 108.800 -0.180 0.000 2.729 112 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.216 112 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.216 112 G C 1.232 176.124 174.900 -0.014 0.000 1.252 112 G CA -0.009 45.018 45.100 -0.121 0.000 0.751 112 G HN 0.600 nan 8.290 nan 0.000 0.527 113 G N 0.421 109.171 108.800 -0.082 0.000 2.499 113 G HA2 0.060 4.020 3.960 -0.000 0.000 0.221 113 G HA3 0.060 4.020 3.960 -0.000 0.000 0.221 113 G C 1.683 176.575 174.900 -0.013 0.000 1.109 113 G CA 1.803 46.888 45.100 -0.025 0.000 0.749 113 G HN 1.023 nan 8.290 nan 0.000 0.568 114 L N -1.728 119.456 121.223 -0.066 0.000 2.416 114 L HA 0.362 4.702 4.340 -0.000 0.000 0.216 114 L C 2.160 179.011 176.870 -0.032 0.000 1.098 114 L CA 0.510 55.296 54.840 -0.090 0.000 0.840 114 L CB -0.192 41.723 42.059 -0.240 0.000 0.981 114 L HN 0.435 nan 8.230 nan 0.000 0.462 115 W N -0.677 120.517 121.300 -0.176 0.000 2.476 115 W HA -0.055 4.605 4.660 -0.000 0.000 0.281 115 W C 1.830 178.343 176.519 -0.010 0.000 1.230 115 W CA 1.108 58.419 57.345 -0.057 0.000 1.287 115 W CB 0.124 29.518 29.460 -0.109 0.000 1.108 115 W HN 0.026 nan 8.180 nan 0.000 0.567 116 L N 0.168 121.529 121.223 0.230 0.000 1.988 116 L HA -0.260 4.080 4.340 -0.000 0.000 0.207 116 L C 2.456 179.275 176.870 -0.085 0.000 1.071 116 L CA 0.919 55.788 54.840 0.049 0.000 0.744 116 L CB -1.175 40.972 42.059 0.147 0.000 0.893 116 L HN -0.052 nan 8.230 nan 0.000 0.433 117 I N 0.646 121.171 120.570 -0.076 0.000 2.094 117 I HA -0.416 3.754 4.170 -0.000 0.000 0.236 117 I C 2.876 178.875 176.117 -0.196 0.000 1.016 117 I CA 2.102 63.293 61.300 -0.181 0.000 1.294 117 I CB -1.428 36.501 38.000 -0.120 0.000 1.006 117 I HN 0.280 nan 8.210 nan 0.000 0.397 118 A N 0.094 122.846 122.820 -0.113 0.000 1.903 118 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 118 A C 2.557 180.196 177.584 0.092 0.000 1.191 118 A CA 2.779 54.791 52.037 -0.042 0.000 0.638 118 A CB -1.008 17.832 19.000 -0.267 0.000 0.823 118 A HN 0.530 nan 8.150 nan 0.000 0.451 119 S N -1.337 114.288 115.700 -0.125 0.000 2.348 119 S HA -0.141 4.329 4.470 -0.000 0.000 0.221 119 S C 1.626 176.299 174.600 0.122 0.000 1.033 119 S CA 1.360 59.525 58.200 -0.059 0.000 1.010 119 S CB -0.595 62.290 63.200 -0.524 0.000 0.891 119 S HN 0.656 nan 8.310 nan 0.000 0.442 120 F N 2.046 121.932 119.950 -0.106 0.000 2.085 120 F HA -0.257 4.270 4.527 -0.000 0.000 0.299 120 F C 1.669 177.555 175.800 0.143 0.000 1.096 120 F CA 1.498 59.466 58.000 -0.054 0.000 1.227 120 F CB -0.538 38.305 39.000 -0.262 0.000 0.983 120 F HN 0.138 nan 8.300 nan 0.000 0.482 121 F N -0.023 119.981 119.950 0.089 0.000 2.128 121 F HA -0.153 4.374 4.527 -0.000 0.000 0.295 121 F C 2.642 178.399 175.800 -0.072 0.000 1.100 121 F CA 1.447 59.412 58.000 -0.057 0.000 1.260 121 F CB -1.397 37.661 39.000 0.096 0.000 1.009 121 F HN 0.100 nan 8.300 nan 0.000 0.476 122 M N -0.768 118.930 119.600 0.164 0.000 2.106 122 M HA -0.270 4.210 4.480 -0.000 0.000 0.259 122 M C 2.247 178.574 176.300 0.045 0.000 1.068 122 M CA 1.788 56.962 55.300 -0.210 0.000 1.100 122 M CB -0.544 31.886 32.600 -0.283 0.000 1.351 122 M HN 0.173 nan 8.290 nan 0.000 0.404 123 F N 0.386 120.443 119.950 0.178 0.000 1.990 123 F HA -0.309 4.218 4.527 -0.000 0.000 0.297 123 F C 2.083 178.003 175.800 0.200 0.000 1.199 123 F CA 2.273 60.517 58.000 0.407 0.000 1.184 123 F CB -0.777 38.377 39.000 0.258 0.000 0.956 123 F HN -0.067 nan 8.300 nan 0.000 0.503 124 V N 0.807 120.826 119.914 0.174 0.000 2.285 124 V HA -0.495 3.625 4.120 -0.000 0.000 0.260 124 V C 2.483 178.568 176.094 -0.016 0.000 1.089 124 V CA 2.404 64.707 62.300 0.005 0.000 1.082 124 V CB -1.625 30.167 31.823 -0.052 0.000 0.681 124 V HN 0.651 nan 8.190 nan 0.000 0.452 125 A N -1.634 121.145 122.820 -0.067 0.000 2.066 125 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 125 A C 2.221 179.706 177.584 -0.165 0.000 1.157 125 A CA 1.687 53.652 52.037 -0.120 0.000 0.670 125 A CB -0.250 18.610 19.000 -0.232 0.000 0.804 125 A HN 0.399 nan 8.150 nan 0.000 0.453 126 V N -2.629 117.105 119.914 -0.299 0.000 2.426 126 V HA -0.158 3.962 4.120 -0.000 0.000 0.242 126 V C 2.138 178.054 176.094 -0.296 0.000 1.036 126 V CA 1.199 63.225 62.300 -0.457 0.000 1.044 126 V CB -0.799 30.372 31.823 -1.088 0.000 0.688 126 V HN 0.782 nan 8.190 nan 0.000 0.462 127 W N 1.118 122.258 121.300 -0.266 0.000 2.378 127 W HA -0.182 4.478 4.660 -0.000 0.000 0.313 127 W C 3.039 179.584 176.519 0.042 0.000 1.197 127 W CA 2.080 59.305 57.345 -0.200 0.000 1.304 127 W CB -0.754 28.409 29.460 -0.494 0.000 1.148 127 W HN 0.328 nan 8.180 nan 0.000 0.494 128 S N -0.126 115.709 115.700 0.224 0.000 2.372 128 S HA -0.344 4.126 4.470 -0.000 0.000 0.227 128 S C 1.786 176.530 174.600 0.240 0.000 1.044 128 S CA 1.390 59.714 58.200 0.207 0.000 1.050 128 S CB -1.629 61.662 63.200 0.151 0.000 0.901 128 S HN 0.523 nan 8.310 nan 0.000 0.447 129 W N 1.058 122.388 121.300 0.051 0.000 2.333 129 W HA -0.207 4.453 4.660 -0.000 0.000 0.316 129 W C 2.136 178.754 176.519 0.164 0.000 1.215 129 W CA 1.509 58.878 57.345 0.040 0.000 1.278 129 W CB -0.787 28.648 29.460 -0.041 0.000 1.154 129 W HN 0.492 nan 8.180 nan 0.000 0.486 130 W N 1.594 123.030 121.300 0.226 0.000 2.285 130 W HA -0.263 4.397 4.660 -0.000 0.000 0.333 130 W C 2.572 179.086 176.519 -0.008 0.000 1.290 130 W CA 3.872 61.358 57.345 0.235 0.000 1.234 130 W CB -1.091 28.348 29.460 -0.036 0.000 1.154 130 W HN 0.011 nan 8.180 nan 0.000 0.463 131 G N 0.281 109.263 108.800 0.303 0.000 2.663 131 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.222 131 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.222 131 G C 1.561 176.358 174.900 -0.171 0.000 1.146 131 G CA 1.756 46.877 45.100 0.036 0.000 0.764 131 G HN 0.430 nan 8.290 nan 0.000 0.608 132 R N 0.199 120.570 120.500 -0.215 0.000 2.082 132 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 132 R C 2.980 179.030 176.300 -0.417 0.000 1.136 132 R CA 2.398 58.311 56.100 -0.312 0.000 0.935 132 R CB -0.884 29.138 30.300 -0.463 0.000 0.842 132 R HN 0.461 nan 8.270 nan 0.000 0.430 133 T N -1.819 112.394 114.554 -0.569 0.000 2.969 133 T HA -0.232 4.118 4.350 -0.000 0.000 0.271 133 T C 1.491 175.907 174.700 -0.474 0.000 1.127 133 T CA 1.337 63.115 62.100 -0.536 0.000 1.102 133 T CB -0.438 68.101 68.868 -0.550 0.000 0.855 133 T HN 0.499 nan 8.240 nan 0.000 0.536 134 Y N 1.413 121.327 120.300 -0.642 0.000 2.256 134 Y HA 0.146 4.696 4.550 -0.000 0.000 0.267 134 Y C 2.326 177.963 175.900 -0.438 0.000 1.069 134 Y CA 0.707 58.424 58.100 -0.637 0.000 1.070 134 Y CB -0.197 37.856 38.460 -0.678 0.000 1.020 134 Y HN 0.010 nan 8.280 nan 0.000 0.476 135 L N 0.174 121.217 121.223 -0.300 0.000 2.058 135 L HA -0.422 3.918 4.340 -0.000 0.000 0.226 135 L C 2.556 179.195 176.870 -0.384 0.000 1.089 135 L CA 1.664 56.315 54.840 -0.316 0.000 0.799 135 L CB -1.006 40.949 42.059 -0.173 0.000 0.900 135 L HN 0.335 nan 8.230 nan 0.000 0.442 136 R N 0.085 120.354 120.500 -0.385 0.000 2.113 136 R HA -0.176 4.164 4.340 -0.000 0.000 0.244 136 R C 2.339 178.410 176.300 -0.382 0.000 1.142 136 R CA 1.829 57.683 56.100 -0.409 0.000 0.953 136 R CB -1.299 28.773 30.300 -0.380 0.000 0.860 136 R HN 0.518 nan 8.270 nan 0.000 0.438 137 A N 0.405 122.982 122.820 -0.405 0.000 1.933 137 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 137 A C 2.193 179.541 177.584 -0.393 0.000 1.175 137 A CA 1.614 53.421 52.037 -0.384 0.000 0.628 137 A CB -0.430 18.313 19.000 -0.428 0.000 0.814 137 A HN 0.444 nan 8.150 nan 0.000 0.444 138 Q N -0.772 118.742 119.800 -0.477 0.000 2.083 138 Q HA -0.033 4.307 4.340 -0.000 0.000 0.198 138 Q C 2.172 177.993 176.000 -0.297 0.000 0.969 138 Q CA 1.249 56.803 55.803 -0.415 0.000 0.838 138 Q CB -0.323 28.134 28.738 -0.469 0.000 0.900 138 Q HN 0.607 nan 8.270 nan 0.000 0.436 139 A N 0.421 123.058 122.820 -0.306 0.000 2.076 139 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 139 A C 1.636 179.080 177.584 -0.234 0.000 1.160 139 A CA 0.918 52.794 52.037 -0.269 0.000 0.653 139 A CB -0.338 18.451 19.000 -0.350 0.000 0.801 139 A HN 0.438 nan 8.150 nan 0.000 0.455 140 L N -0.963 120.113 121.223 -0.244 0.000 2.653 140 L HA 0.182 4.521 4.340 -0.000 0.000 0.231 140 L C 1.582 178.347 176.870 -0.174 0.000 1.153 140 L CA 0.379 55.100 54.840 -0.199 0.000 0.933 140 L CB -0.604 41.334 42.059 -0.202 0.000 1.175 140 L HN 0.542 nan 8.230 nan 0.000 0.473 141 G N 1.133 109.824 108.800 -0.182 0.000 2.309 141 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.286 141 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.286 141 G C 0.374 175.187 174.900 -0.144 0.000 1.002 141 G CA 0.684 45.691 45.100 -0.154 0.000 0.786 141 G HN 0.366 nan 8.290 nan 0.000 0.511 142 M N -0.170 119.325 119.600 -0.174 0.000 2.494 142 M HA 0.515 4.995 4.480 -0.000 0.000 0.300 142 M C 1.252 177.475 176.300 -0.128 0.000 1.189 142 M CA -0.154 55.058 55.300 -0.147 0.000 0.982 142 M CB 1.037 33.539 32.600 -0.164 0.000 1.534 142 M HN 0.150 nan 8.290 nan 0.000 0.488 143 G N 1.331 110.111 108.800 -0.032 0.000 2.299 143 G HA2 0.044 4.004 3.960 -0.000 0.000 0.256 143 G HA3 0.044 4.004 3.960 -0.000 0.000 0.256 143 G C 0.484 175.430 174.900 0.077 0.000 1.259 143 G CA -0.494 44.711 45.100 0.174 0.000 0.943 143 G HN 0.625 nan 8.290 nan 0.000 0.479 144 K N 2.652 122.974 120.400 -0.129 0.000 2.643 144 K HA -0.039 4.281 4.320 -0.000 0.000 0.193 144 K C 1.400 177.764 176.600 -0.394 0.000 1.027 144 K CA 0.148 56.190 56.287 -0.409 0.000 1.033 144 K CB -0.342 31.791 32.500 -0.613 0.000 0.827 144 K HN 0.706 nan 8.250 nan 0.000 0.500 145 H N 1.146 120.125 119.070 -0.152 0.000 2.261 145 H HA -0.160 4.396 4.556 -0.000 0.000 0.290 145 H C 1.944 177.234 175.328 -0.062 0.000 1.081 145 H CA 2.571 58.609 56.048 -0.016 0.000 1.196 145 H CB -0.846 28.897 29.762 -0.032 0.000 1.350 145 H HN 0.157 nan 8.280 nan 0.000 0.498 146 T N 0.481 115.048 114.554 0.022 0.000 2.620 146 T HA -0.300 4.049 4.350 -0.000 0.000 0.267 146 T C 2.318 176.978 174.700 -0.067 0.000 1.044 146 T CA 1.877 63.946 62.100 -0.051 0.000 1.161 146 T CB -0.857 67.931 68.868 -0.133 0.000 0.862 146 T HN 0.563 nan 8.240 nan 0.000 0.438 147 A N 0.079 122.749 122.820 -0.250 0.000 1.986 147 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 147 A C 2.132 179.720 177.584 0.006 0.000 1.171 147 A CA 1.499 53.309 52.037 -0.379 0.000 0.640 147 A CB -1.077 17.502 19.000 -0.701 0.000 0.811 147 A HN 0.768 nan 8.150 nan 0.000 0.451 148 W N -0.820 120.547 121.300 0.112 0.000 2.444 148 W HA 0.090 4.750 4.660 -0.000 0.000 0.308 148 W C 2.833 179.408 176.519 0.093 0.000 1.183 148 W CA 0.394 57.814 57.345 0.124 0.000 1.340 148 W CB -0.278 29.178 29.460 -0.008 0.000 1.138 148 W HN 0.352 nan 8.180 nan 0.000 0.510 149 A N 0.742 123.722 122.820 0.267 0.000 1.903 149 A HA -0.334 3.986 4.320 -0.000 0.000 0.219 149 A C 1.771 179.496 177.584 0.235 0.000 1.191 149 A CA 2.009 54.120 52.037 0.123 0.000 0.638 149 A CB -1.434 17.594 19.000 0.046 0.000 0.823 149 A HN 0.384 nan 8.150 nan 0.000 0.451 150 F N 0.217 120.238 119.950 0.118 0.000 2.091 150 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 150 F C 1.849 177.752 175.800 0.172 0.000 1.103 150 F CA 1.585 59.669 58.000 0.140 0.000 1.228 150 F CB -0.840 38.266 39.000 0.177 0.000 0.984 150 F HN 0.190 nan 8.300 nan 0.000 0.477 151 L N 0.386 121.765 121.223 0.260 0.000 2.021 151 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 151 L C 2.810 179.645 176.870 -0.058 0.000 1.074 151 L CA 2.275 57.078 54.840 -0.062 0.000 0.760 151 L CB -1.566 40.609 42.059 0.193 0.000 0.889 151 L HN 0.356 nan 8.230 nan 0.000 0.433 152 S N -1.339 114.392 115.700 0.051 0.000 2.413 152 S HA -0.297 4.173 4.470 -0.000 0.000 0.237 152 S C 1.963 176.653 174.600 0.151 0.000 1.044 152 S CA 1.665 59.904 58.200 0.066 0.000 1.024 152 S CB -0.357 62.866 63.200 0.038 0.000 0.829 152 S HN 0.664 nan 8.310 nan 0.000 0.475 153 A N 1.360 124.234 122.820 0.089 0.000 1.843 153 A HA 0.217 4.537 4.320 -0.000 0.000 0.213 153 A C 2.041 179.656 177.584 0.052 0.000 1.239 153 A CA 1.002 53.089 52.037 0.083 0.000 0.606 153 A CB -1.009 18.060 19.000 0.114 0.000 0.903 153 A HN 0.546 nan 8.150 nan 0.000 0.455 154 I N -1.103 119.355 120.570 -0.187 0.000 2.285 154 I HA -0.406 3.764 4.170 -0.000 0.000 0.254 154 I C 2.337 178.565 176.117 0.186 0.000 1.093 154 I CA 1.929 63.128 61.300 -0.168 0.000 1.368 154 I CB -0.366 37.209 38.000 -0.708 0.000 1.054 154 I HN 0.732 nan 8.210 nan 0.000 0.435 155 W N 1.420 122.673 121.300 -0.078 0.000 2.194 155 W HA -0.380 4.280 4.660 -0.000 0.000 0.323 155 W C 2.557 179.083 176.519 0.011 0.000 1.222 155 W CA 1.218 58.553 57.345 -0.017 0.000 1.136 155 W CB -0.494 28.950 29.460 -0.027 0.000 1.162 155 W HN 0.110 nan 8.180 nan 0.000 0.466 156 L N 1.087 122.259 121.223 -0.085 0.000 2.064 156 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 156 L C 2.131 178.843 176.870 -0.263 0.000 1.077 156 L CA 2.860 57.483 54.840 -0.362 0.000 0.766 156 L CB -1.660 40.241 42.059 -0.263 0.000 0.890 156 L HN 0.465 nan 8.230 nan 0.000 0.435 157 W N -0.205 120.966 121.300 -0.215 0.000 2.332 157 W HA -0.268 4.392 4.660 -0.000 0.000 0.321 157 W C 2.416 178.925 176.519 -0.017 0.000 1.219 157 W CA 2.063 59.337 57.345 -0.118 0.000 1.277 157 W CB -0.451 28.936 29.460 -0.122 0.000 1.161 157 W HN 0.109 nan 8.180 nan 0.000 0.476 158 M N 0.370 119.903 119.600 -0.111 0.000 2.192 158 M HA -0.207 4.273 4.480 -0.000 0.000 0.259 158 M C 1.761 177.989 176.300 -0.121 0.000 1.071 158 M CA 1.520 56.709 55.300 -0.185 0.000 1.082 158 M CB -1.772 30.914 32.600 0.144 0.000 1.373 158 M HN 0.037 nan 8.290 nan 0.000 0.408 159 V N -1.333 118.443 119.914 -0.230 0.000 2.273 159 V HA -0.238 3.882 4.120 -0.000 0.000 0.242 159 V C 2.203 178.317 176.094 0.033 0.000 1.035 159 V CA 1.636 63.837 62.300 -0.165 0.000 1.013 159 V CB -0.955 30.606 31.823 -0.436 0.000 0.652 159 V HN 0.324 nan 8.190 nan 0.000 0.452 160 H N 0.617 119.571 119.070 -0.194 0.000 2.437 160 H HA -0.134 4.422 4.556 -0.000 0.000 0.296 160 H C 1.688 176.980 175.328 -0.060 0.000 1.121 160 H CA 1.505 57.459 56.048 -0.158 0.000 1.255 160 H CB -0.319 29.324 29.762 -0.199 0.000 1.366 160 H HN 0.477 nan 8.280 nan 0.000 0.512 161 G N -3.820 104.983 108.800 0.005 0.000 4.921 161 G HA2 0.354 4.314 3.960 -0.000 0.000 0.248 161 G HA3 0.354 4.314 3.960 -0.000 0.000 0.248 161 G C -0.072 174.916 174.900 0.147 0.000 1.026 161 G CA 0.006 45.139 45.100 0.055 0.000 0.825 161 G HN 0.389 nan 8.290 nan 0.000 0.538 162 F N -0.941 119.034 119.950 0.040 0.000 1.716 162 F HA 0.166 4.693 4.527 -0.000 0.000 0.254 162 F C 1.166 177.062 175.800 0.160 0.000 1.234 162 F CA 0.065 58.131 58.000 0.111 0.000 1.305 162 F CB -0.236 38.744 39.000 -0.034 0.000 1.949 162 F HN -0.016 nan 8.300 nan 0.000 0.196 163 I N 1.204 121.995 120.570 0.369 0.000 2.034 163 I HA -0.291 3.879 4.170 -0.000 0.000 0.228 163 I C 2.207 178.424 176.117 0.167 0.000 1.041 163 I CA 2.304 63.753 61.300 0.248 0.000 1.321 163 I CB -1.726 36.383 38.000 0.181 0.000 1.062 163 I HN 0.412 nan 8.210 nan 0.000 0.389 164 Y N 2.580 122.917 120.300 0.062 0.000 2.062 164 Y HA -0.253 4.297 4.550 -0.000 0.000 0.273 164 Y C -0.413 175.537 175.900 0.084 0.000 1.206 164 Y CA 2.728 60.875 58.100 0.078 0.000 1.125 164 Y CB -2.003 36.523 38.460 0.109 0.000 0.951 164 Y HN 0.185 nan 8.280 nan 0.000 0.501 165 P HA -0.196 nan 4.420 nan 0.000 0.218 165 P C 1.590 178.853 177.300 -0.062 0.000 1.148 165 P CA 1.681 64.868 63.100 0.144 0.000 0.822 165 P CB -0.023 31.896 31.700 0.366 0.000 0.784 166 I N -1.679 118.823 120.570 -0.113 0.000 2.716 166 I HA -0.048 4.121 4.170 -0.000 0.000 0.259 166 I C 1.970 177.971 176.117 -0.193 0.000 1.172 166 I CA 1.058 62.213 61.300 -0.243 0.000 1.478 166 I CB -0.953 36.889 38.000 -0.264 0.000 1.104 166 I HN 0.021 nan 8.210 nan 0.000 0.439 167 L N 0.086 121.212 121.223 -0.162 0.000 2.418 167 L HA -0.066 4.274 4.340 -0.000 0.000 0.218 167 L C 1.659 178.394 176.870 -0.225 0.000 1.125 167 L CA 0.625 55.364 54.840 -0.169 0.000 0.835 167 L CB -0.114 41.861 42.059 -0.141 0.000 0.953 167 L HN 0.131 nan 8.230 nan 0.000 0.454 168 E N -0.172 119.864 120.200 -0.273 0.000 2.501 168 E HA 0.145 4.495 4.350 -0.000 0.000 0.200 168 E C 1.305 177.786 176.600 -0.199 0.000 1.016 168 E CA 0.485 56.738 56.400 -0.245 0.000 0.921 168 E CB 0.237 29.767 29.700 -0.284 0.000 1.034 168 E HN 0.287 nan 8.360 nan 0.000 0.468 169 G N 0.233 108.899 108.800 -0.224 0.000 2.284 169 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.261 169 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.261 169 G C 0.318 175.027 174.900 -0.319 0.000 0.997 169 G CA 0.720 45.669 45.100 -0.251 0.000 0.621 169 G HN 0.901 nan 8.290 nan 0.000 0.534 170 S N -2.020 113.516 115.700 -0.272 0.000 2.536 170 S HA 0.516 4.986 4.470 -0.000 0.000 0.271 170 S C 0.401 174.945 174.600 -0.092 0.000 1.134 170 S CA 0.015 58.048 58.200 -0.279 0.000 0.897 170 S CB 0.757 63.850 63.200 -0.178 0.000 1.094 170 S HN 0.397 nan 8.310 nan 0.000 0.473 171 W N 1.677 122.876 121.300 -0.169 0.000 2.389 171 W HA -0.142 4.518 4.660 -0.000 0.000 0.267 171 W C 2.311 178.642 176.519 -0.314 0.000 1.219 171 W CA 0.633 57.827 57.345 -0.252 0.000 1.189 171 W CB 0.026 29.304 29.460 -0.304 0.000 1.129 171 W HN 0.928 nan 8.180 nan 0.000 0.581 172 S N -0.648 115.073 115.700 0.035 0.000 2.607 172 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 172 S C 1.280 175.900 174.600 0.033 0.000 0.969 172 S CA 0.572 58.756 58.200 -0.027 0.000 0.927 172 S CB -0.074 63.115 63.200 -0.018 0.000 0.772 172 S HN 0.193 nan 8.310 nan 0.000 0.533 173 E N 1.012 121.275 120.200 0.105 0.000 2.452 173 E HA 0.388 4.738 4.350 -0.000 0.000 0.197 173 E C 0.989 177.856 176.600 0.445 0.000 1.022 173 E CA 0.265 56.795 56.400 0.217 0.000 0.890 173 E CB 0.491 30.298 29.700 0.178 0.000 0.918 173 E HN 0.687 nan 8.360 nan 0.000 0.496 174 A N 0.865 123.885 122.820 0.333 0.000 2.280 174 A HA 0.357 4.677 4.320 -0.000 0.000 0.268 174 A C 0.444 178.249 177.584 0.369 0.000 1.111 174 A CA -0.398 51.849 52.037 0.349 0.000 0.814 174 A CB 0.524 19.675 19.000 0.252 0.000 1.093 174 A HN -0.051 nan 8.150 nan 0.000 0.498 175 V N 1.782 121.670 119.914 -0.042 0.000 2.686 175 V HA 0.416 4.536 4.120 -0.000 0.000 0.295 175 V C -1.990 174.040 176.094 -0.108 0.000 1.057 175 V CA -1.034 60.953 62.300 -0.522 0.000 1.012 175 V CB 1.223 32.493 31.823 -0.921 0.000 1.006 175 V HN 0.873 nan 8.190 nan 0.000 0.477 176 P HA 0.368 nan 4.420 nan 0.000 0.293 176 P C -1.710 175.578 177.300 -0.019 0.000 1.291 176 P CA -0.732 62.400 63.100 0.053 0.000 0.867 176 P CB 0.975 32.772 31.700 0.161 0.000 1.074 177 Y N 1.108 121.597 120.300 0.316 0.000 2.531 177 Y HA 0.557 5.107 4.550 -0.000 0.000 0.347 177 Y C 1.477 177.519 175.900 0.237 0.000 1.024 177 Y CA 0.770 58.980 58.100 0.185 0.000 1.306 177 Y CB 0.177 38.680 38.460 0.072 0.000 1.149 177 Y HN 0.584 nan 8.280 nan 0.000 0.527 178 G N 2.223 111.180 108.800 0.261 0.000 2.616 178 G HA2 0.333 4.293 3.960 -0.000 0.000 0.294 178 G HA3 0.333 4.293 3.960 -0.000 0.000 0.294 178 G C -0.124 174.816 174.900 0.067 0.000 1.489 178 G CA -0.776 44.503 45.100 0.298 0.000 0.836 178 G HN 0.522 nan 8.290 nan 0.000 0.527 179 I N -0.081 120.493 120.570 0.005 0.000 2.339 179 I HA 0.065 4.235 4.170 -0.000 0.000 0.245 179 I C 1.809 177.920 176.117 -0.010 0.000 1.096 179 I CA 1.002 62.157 61.300 -0.242 0.000 1.408 179 I CB -0.109 37.507 38.000 -0.640 0.000 1.092 179 I HN 0.389 nan 8.210 nan 0.000 0.423 180 F N 1.072 121.096 119.950 0.122 0.000 2.437 180 F HA -0.028 4.499 4.527 -0.000 0.000 0.288 180 F C 2.869 178.795 175.800 0.210 0.000 1.085 180 F CA 0.650 58.725 58.000 0.125 0.000 1.430 180 F CB -1.057 37.914 39.000 -0.048 0.000 1.120 180 F HN 0.027 nan 8.300 nan 0.000 0.556 181 S N 0.638 116.586 115.700 0.413 0.000 2.359 181 S HA -0.338 4.132 4.470 -0.000 0.000 0.222 181 S C 2.171 177.006 174.600 0.391 0.000 1.038 181 S CA 1.901 60.313 58.200 0.354 0.000 1.051 181 S CB -1.453 61.937 63.200 0.317 0.000 0.944 181 S HN 0.612 nan 8.310 nan 0.000 0.433 182 H N 2.969 122.172 119.070 0.221 0.000 2.352 182 H HA 0.060 4.616 4.556 -0.000 0.000 0.299 182 H C 2.117 177.590 175.328 0.242 0.000 1.097 182 H CA 1.526 57.685 56.048 0.185 0.000 1.311 182 H CB -1.140 28.647 29.762 0.042 0.000 1.377 182 H HN 0.414 nan 8.280 nan 0.000 0.504 183 L N 0.956 122.051 121.223 -0.214 0.000 1.991 183 L HA -0.272 4.067 4.340 -0.000 0.000 0.221 183 L C 2.495 179.373 176.870 0.013 0.000 1.079 183 L CA 2.168 56.876 54.840 -0.220 0.000 0.778 183 L CB -0.523 41.632 42.059 0.160 0.000 0.893 183 L HN 0.325 nan 8.230 nan 0.000 0.437 184 D N -1.174 119.310 120.400 0.140 0.000 2.123 184 D HA -0.268 4.372 4.640 -0.000 0.000 0.196 184 D C 1.701 178.118 176.300 0.196 0.000 0.992 184 D CA 1.575 55.661 54.000 0.143 0.000 0.833 184 D CB -0.438 40.449 40.800 0.145 0.000 0.954 184 D HN 0.529 nan 8.370 nan 0.000 0.455 185 W N 2.059 123.381 121.300 0.037 0.000 2.290 185 W HA -0.321 4.339 4.660 -0.000 0.000 0.311 185 W C 2.222 178.776 176.519 0.058 0.000 1.238 185 W CA 2.502 59.881 57.345 0.056 0.000 1.255 185 W CB -0.310 29.186 29.460 0.061 0.000 1.145 185 W HN -0.123 nan 8.180 nan 0.000 0.506 186 T N 0.208 115.121 114.554 0.600 0.000 2.614 186 T HA -0.331 4.019 4.350 -0.000 0.000 0.263 186 T C 1.345 176.166 174.700 0.201 0.000 1.055 186 T CA 1.849 64.214 62.100 0.441 0.000 1.162 186 T CB -0.954 68.032 68.868 0.198 0.000 0.863 186 T HN 0.353 nan 8.240 nan 0.000 0.414 187 N N 1.238 120.010 118.700 0.120 0.000 2.049 187 N HA -0.189 4.551 4.740 -0.000 0.000 0.198 187 N C 1.674 177.205 175.510 0.035 0.000 1.030 187 N CA 2.217 55.302 53.050 0.058 0.000 0.870 187 N CB -0.451 38.058 38.487 0.037 0.000 1.045 187 N HN 0.459 nan 8.380 nan 0.000 0.434 188 N N -1.451 117.253 118.700 0.006 0.000 2.025 188 N HA -0.197 4.543 4.740 -0.000 0.000 0.194 188 N C 1.480 176.945 175.510 -0.076 0.000 1.044 188 N CA 1.251 54.259 53.050 -0.069 0.000 0.851 188 N CB -0.350 38.059 38.487 -0.131 0.000 1.036 188 N HN 0.213 nan 8.380 nan 0.000 0.422 189 F N 1.786 121.579 119.950 -0.262 0.000 2.225 189 F HA -0.240 4.287 4.527 -0.000 0.000 0.302 189 F C 2.699 178.539 175.800 0.068 0.000 1.068 189 F CA 1.312 59.209 58.000 -0.171 0.000 1.327 189 F CB -0.567 38.181 39.000 -0.420 0.000 1.043 189 F HN -0.051 nan 8.300 nan 0.000 0.506 190 S N 0.050 115.911 115.700 0.268 0.000 2.345 190 S HA -0.161 4.309 4.470 -0.000 0.000 0.220 190 S C 2.130 176.791 174.600 0.101 0.000 1.031 190 S CA 1.572 59.880 58.200 0.180 0.000 0.996 190 S CB -0.516 62.708 63.200 0.041 0.000 0.882 190 S HN 0.432 nan 8.310 nan 0.000 0.445 191 L N 1.214 122.443 121.223 0.009 0.000 2.156 191 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 191 L C 2.368 179.166 176.870 -0.119 0.000 1.095 191 L CA 0.588 55.403 54.840 -0.041 0.000 0.770 191 L CB -0.419 41.604 42.059 -0.061 0.000 0.914 191 L HN 0.218 nan 8.230 nan 0.000 0.439 192 V N -0.949 118.812 119.914 -0.254 0.000 3.078 192 V HA -0.220 3.900 4.120 -0.000 0.000 0.265 192 V C 0.260 175.847 176.094 -0.845 0.000 1.122 192 V CA 1.318 63.273 62.300 -0.576 0.000 1.141 192 V CB -1.068 30.262 31.823 -0.822 0.000 0.735 192 V HN 0.542 nan 8.190 nan 0.000 0.498 193 H N -0.998 118.014 119.070 -0.097 0.000 2.716 193 H HA 0.539 5.094 4.556 -0.000 0.000 0.230 193 H C 0.807 176.246 175.328 0.185 0.000 1.401 193 H CA 0.270 56.322 56.048 0.007 0.000 1.168 193 H CB 0.338 30.130 29.762 0.050 0.000 1.935 193 H HN 0.304 nan 8.280 nan 0.000 0.538 194 G N 1.212 110.120 108.800 0.180 0.000 2.562 194 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.250 194 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.250 194 G C -0.402 174.679 174.900 0.301 0.000 1.269 194 G CA -0.240 45.028 45.100 0.281 0.000 0.919 194 G HN 0.572 nan 8.290 nan 0.000 0.574 195 N N -0.543 118.408 118.700 0.418 0.000 2.417 195 N HA 0.610 5.350 4.740 -0.000 0.000 0.300 195 N C 0.876 176.466 175.510 0.132 0.000 1.102 195 N CA -0.787 52.369 53.050 0.177 0.000 0.886 195 N CB 1.532 40.034 38.487 0.025 0.000 1.203 195 N HN 0.468 nan 8.380 nan 0.000 0.496 196 L N 2.023 123.197 121.223 -0.082 0.000 2.492 196 L HA 0.177 4.517 4.340 -0.000 0.000 0.223 196 L C 1.665 178.320 176.870 -0.357 0.000 1.132 196 L CA 0.934 55.599 54.840 -0.292 0.000 0.850 196 L CB -0.619 41.152 42.059 -0.479 0.000 0.966 196 L HN 0.738 nan 8.230 nan 0.000 0.454 197 H N -2.588 116.250 119.070 -0.386 0.000 2.489 197 H HA -0.193 4.363 4.556 -0.000 0.000 0.293 197 H C 1.348 176.526 175.328 -0.250 0.000 1.066 197 H CA 1.247 57.109 56.048 -0.309 0.000 1.305 197 H CB 0.388 29.917 29.762 -0.389 0.000 1.386 197 H HN 0.312 nan 8.280 nan 0.000 0.551 198 Y N 0.413 120.795 120.300 0.137 0.000 2.177 198 Y HA -0.101 4.449 4.550 -0.000 0.000 0.291 198 Y C 1.492 177.368 175.900 -0.039 0.000 1.117 198 Y CA 0.081 58.258 58.100 0.129 0.000 1.114 198 Y CB -0.750 37.875 38.460 0.274 0.000 1.017 198 Y HN 0.118 nan 8.280 nan 0.000 0.505 199 N N 3.749 122.314 118.700 -0.226 0.000 2.160 199 N HA -0.107 4.633 4.740 -0.000 0.000 0.283 199 N C -1.757 173.428 175.510 -0.542 0.000 1.363 199 N CA -0.299 52.014 53.050 -1.229 0.000 0.848 199 N CB 0.740 38.023 38.487 -2.006 0.000 1.127 199 N HN 0.157 nan 8.380 nan 0.000 0.493 200 P HA -0.121 nan 4.420 nan 0.000 0.219 200 P C 1.070 178.163 177.300 -0.345 0.000 1.150 200 P CA 1.083 63.995 63.100 -0.312 0.000 0.814 200 P CB -0.093 31.423 31.700 -0.306 0.000 0.787 201 F N -0.785 119.042 119.950 -0.205 0.000 2.641 201 F HA -0.071 4.455 4.527 -0.000 0.000 0.298 201 F C 2.597 178.331 175.800 -0.110 0.000 1.146 201 F CA 0.859 58.792 58.000 -0.111 0.000 1.464 201 F CB -1.037 37.916 39.000 -0.079 0.000 1.101 201 F HN 0.156 nan 8.300 nan 0.000 0.585 202 H N -0.845 118.146 119.070 -0.132 0.000 2.506 202 H HA 0.140 4.696 4.556 -0.000 0.000 0.289 202 H C 2.348 177.597 175.328 -0.131 0.000 1.009 202 H CA 1.103 57.072 56.048 -0.131 0.000 1.303 202 H CB -0.289 29.355 29.762 -0.196 0.000 1.453 202 H HN 0.243 nan 8.280 nan 0.000 0.526 203 G N 1.910 110.687 108.800 -0.039 0.000 2.440 203 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 203 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 203 G C 1.702 176.484 174.900 -0.196 0.000 1.154 203 G CA 0.814 45.862 45.100 -0.087 0.000 0.767 203 G HN 0.288 nan 8.290 nan 0.000 0.552 204 L N 0.950 122.055 121.223 -0.197 0.000 1.976 204 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 204 L C 3.082 179.743 176.870 -0.349 0.000 1.071 204 L CA 2.176 56.849 54.840 -0.280 0.000 0.746 204 L CB -1.142 40.825 42.059 -0.155 0.000 0.890 204 L HN 0.267 nan 8.230 nan 0.000 0.432 205 S N -0.878 114.711 115.700 -0.186 0.000 2.380 205 S HA -0.246 4.224 4.470 -0.000 0.000 0.229 205 S C 2.050 176.523 174.600 -0.211 0.000 1.043 205 S CA 1.655 59.796 58.200 -0.099 0.000 1.038 205 S CB -0.375 62.763 63.200 -0.104 0.000 0.872 205 S HN 0.277 nan 8.310 nan 0.000 0.456 206 I N 2.037 122.374 120.570 -0.387 0.000 2.068 206 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 206 I C 2.636 178.566 176.117 -0.312 0.000 1.046 206 I CA 1.640 62.652 61.300 -0.480 0.000 1.306 206 I CB -1.112 36.605 38.000 -0.471 0.000 1.023 206 I HN 0.362 nan 8.210 nan 0.000 0.399 207 A N 0.257 122.959 122.820 -0.196 0.000 1.894 207 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 207 A C 2.208 179.831 177.584 0.065 0.000 1.237 207 A CA 2.632 54.621 52.037 -0.080 0.000 0.660 207 A CB -1.388 17.409 19.000 -0.338 0.000 0.835 207 A HN 0.383 nan 8.150 nan 0.000 0.461 208 F N -0.912 119.082 119.950 0.073 0.000 2.084 208 F HA -0.070 4.457 4.527 -0.000 0.000 0.296 208 F C 2.111 177.964 175.800 0.089 0.000 1.111 208 F CA 0.932 58.989 58.000 0.094 0.000 1.224 208 F CB -1.371 37.683 39.000 0.091 0.000 0.991 208 F HN 0.265 nan 8.300 nan 0.000 0.471 209 L N -0.265 121.091 121.223 0.221 0.000 1.951 209 L HA -0.300 4.040 4.340 -0.000 0.000 0.222 209 L C 2.308 179.299 176.870 0.201 0.000 1.078 209 L CA 1.979 56.896 54.840 0.128 0.000 0.778 209 L CB -1.480 40.566 42.059 -0.021 0.000 0.893 209 L HN 0.093 nan 8.230 nan 0.000 0.436 210 Y N 0.746 121.093 120.300 0.079 0.000 2.002 210 Y HA -0.259 4.291 4.550 -0.000 0.000 0.268 210 Y C 2.652 178.605 175.900 0.089 0.000 1.177 210 Y CA 1.540 59.677 58.100 0.063 0.000 1.111 210 Y CB -1.646 36.834 38.460 0.033 0.000 0.952 210 Y HN 0.359 nan 8.280 nan 0.000 0.491 211 G N -1.295 107.695 108.800 0.316 0.000 2.547 211 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.221 211 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.221 211 G C 1.963 176.979 174.900 0.193 0.000 1.140 211 G CA 1.566 46.809 45.100 0.239 0.000 0.760 211 G HN 0.442 nan 8.290 nan 0.000 0.583 212 S N 0.597 116.423 115.700 0.209 0.000 2.423 212 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 212 S C 2.525 177.244 174.600 0.197 0.000 1.014 212 S CA 0.997 59.305 58.200 0.181 0.000 0.965 212 S CB -0.149 63.156 63.200 0.174 0.000 0.785 212 S HN 0.625 nan 8.310 nan 0.000 0.495 213 A N 0.347 123.273 122.820 0.177 0.000 2.178 213 A HA 0.257 4.577 4.320 -0.000 0.000 0.211 213 A C 1.860 179.510 177.584 0.109 0.000 1.157 213 A CA 0.331 52.452 52.037 0.141 0.000 0.780 213 A CB -0.195 18.884 19.000 0.133 0.000 0.828 213 A HN 0.422 nan 8.150 nan 0.000 0.476 214 L N -1.199 120.084 121.223 0.101 0.000 2.130 214 L HA 0.176 4.516 4.340 -0.000 0.000 0.200 214 L C 2.019 178.913 176.870 0.039 0.000 1.075 214 L CA 1.461 56.334 54.840 0.055 0.000 0.768 214 L CB -0.732 41.348 42.059 0.036 0.000 0.933 214 L HN 0.233 nan 8.230 nan 0.000 0.451 215 L N -0.723 120.518 121.223 0.032 0.000 1.943 215 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 215 L C 2.364 179.278 176.870 0.074 0.000 1.074 215 L CA 2.052 56.874 54.840 -0.030 0.000 0.759 215 L CB -1.216 40.811 42.059 -0.053 0.000 0.888 215 L HN 0.328 nan 8.230 nan 0.000 0.433 216 F N 0.561 120.498 119.950 -0.023 0.000 2.147 216 F HA -0.309 4.218 4.527 -0.000 0.000 0.301 216 F C 2.390 178.197 175.800 0.012 0.000 1.084 216 F CA 1.275 59.278 58.000 0.005 0.000 1.268 216 F CB -1.095 37.911 39.000 0.011 0.000 1.009 216 F HN 0.257 nan 8.300 nan 0.000 0.486 217 A N -0.642 122.320 122.820 0.236 0.000 2.019 217 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 217 A C 2.269 179.921 177.584 0.112 0.000 1.164 217 A CA 1.756 53.859 52.037 0.110 0.000 0.644 217 A CB -0.553 18.485 19.000 0.064 0.000 0.805 217 A HN 0.466 nan 8.150 nan 0.000 0.449 218 M N -2.748 116.917 119.600 0.110 0.000 2.121 218 M HA 0.006 4.486 4.480 -0.000 0.000 0.250 218 M C 2.198 178.573 176.300 0.125 0.000 1.120 218 M CA 1.614 56.973 55.300 0.099 0.000 1.141 218 M CB -0.670 31.866 32.600 -0.106 0.000 1.254 218 M HN 0.569 nan 8.290 nan 0.000 0.433 219 H N 0.195 119.253 119.070 -0.020 0.000 2.375 219 H HA -0.211 4.345 4.556 -0.000 0.000 0.289 219 H C 1.751 177.108 175.328 0.048 0.000 1.121 219 H CA 2.345 58.376 56.048 -0.028 0.000 1.207 219 H CB -0.694 28.977 29.762 -0.151 0.000 1.355 219 H HN 0.474 nan 8.280 nan 0.000 0.486 220 G N -0.767 108.070 108.800 0.062 0.000 2.404 220 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 220 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 220 G C 1.979 176.833 174.900 -0.077 0.000 1.189 220 G CA 1.127 46.220 45.100 -0.011 0.000 0.789 220 G HN 0.645 nan 8.290 nan 0.000 0.533 221 A N 0.333 123.135 122.820 -0.029 0.000 1.903 221 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 221 A C 2.476 179.995 177.584 -0.107 0.000 1.191 221 A CA 2.681 54.679 52.037 -0.065 0.000 0.638 221 A CB -1.212 17.772 19.000 -0.027 0.000 0.823 221 A HN 0.332 nan 8.150 nan 0.000 0.451 222 T N 0.443 114.961 114.554 -0.060 0.000 2.496 222 T HA -0.148 4.201 4.350 -0.000 0.000 0.254 222 T C 1.807 176.429 174.700 -0.131 0.000 1.161 222 T CA 1.516 63.572 62.100 -0.072 0.000 1.231 222 T CB -0.435 68.506 68.868 0.122 0.000 0.866 222 T HN 0.305 nan 8.240 nan 0.000 0.396 223 I N 1.162 121.617 120.570 -0.192 0.000 2.210 223 I HA -0.246 3.924 4.170 -0.000 0.000 0.249 223 I C 2.413 178.438 176.117 -0.155 0.000 1.047 223 I CA 1.683 62.867 61.300 -0.194 0.000 1.323 223 I CB -1.199 36.621 38.000 -0.300 0.000 1.017 223 I HN 0.316 nan 8.210 nan 0.000 0.427 224 L N 0.076 121.198 121.223 -0.169 0.000 2.093 224 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 224 L C 2.599 179.355 176.870 -0.189 0.000 1.085 224 L CA 1.295 56.028 54.840 -0.178 0.000 0.755 224 L CB -0.481 41.469 42.059 -0.182 0.000 0.904 224 L HN 0.231 nan 8.230 nan 0.000 0.435 225 A N -0.495 122.215 122.820 -0.185 0.000 2.119 225 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 225 A C 1.591 179.055 177.584 -0.201 0.000 1.152 225 A CA 1.131 53.050 52.037 -0.197 0.000 0.708 225 A CB -0.269 18.603 19.000 -0.213 0.000 0.805 225 A HN 0.322 nan 8.150 nan 0.000 0.460 226 V N -1.958 117.868 119.914 -0.147 0.000 3.006 226 V HA 0.214 4.334 4.120 -0.000 0.000 0.357 226 V C 1.199 177.236 176.094 -0.094 0.000 1.377 226 V CA 0.678 62.940 62.300 -0.065 0.000 1.198 226 V CB -0.734 31.159 31.823 0.117 0.000 1.216 226 V HN 0.464 nan 8.190 nan 0.000 0.520 227 S N 1.939 117.526 115.700 -0.188 0.000 2.406 227 S HA -0.130 4.339 4.470 -0.000 0.000 0.224 227 S C 1.862 176.347 174.600 -0.190 0.000 1.030 227 S CA 0.801 58.918 58.200 -0.137 0.000 0.958 227 S CB -0.624 62.492 63.200 -0.139 0.000 0.811 227 S HN 0.824 nan 8.310 nan 0.000 0.489 228 R N 0.330 120.594 120.500 -0.393 0.000 2.416 228 R HA 0.034 4.374 4.340 -0.000 0.000 0.205 228 R C -0.454 175.520 176.300 -0.543 0.000 1.150 228 R CA 0.684 56.496 56.100 -0.480 0.000 1.139 228 R CB -0.816 29.103 30.300 -0.635 0.000 0.861 228 R HN 0.476 nan 8.270 nan 0.000 0.480 229 F N -0.366 119.576 119.950 -0.013 0.000 2.802 229 F HA 0.374 4.901 4.527 -0.000 0.000 0.346 229 F C 0.963 176.755 175.800 -0.014 0.000 1.229 229 F CA -1.228 56.764 58.000 -0.014 0.000 1.142 229 F CB 0.714 39.701 39.000 -0.021 0.000 1.146 229 F HN 0.179 nan 8.300 nan 0.000 0.510 230 G N 0.905 109.766 108.800 0.102 0.000 2.356 230 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.296 230 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.296 230 G C 1.321 176.253 174.900 0.053 0.000 1.022 230 G CA 0.478 45.612 45.100 0.057 0.000 0.961 230 G HN 0.766 nan 8.290 nan 0.000 0.510 231 G N 0.297 109.125 108.800 0.047 0.000 2.494 231 G HA2 0.062 4.022 3.960 -0.000 0.000 0.216 231 G HA3 0.062 4.022 3.960 -0.000 0.000 0.216 231 G C 1.489 176.394 174.900 0.009 0.000 1.140 231 G CA 1.087 46.210 45.100 0.039 0.000 0.801 231 G HN 0.713 nan 8.290 nan 0.000 0.536 232 E N 1.503 121.694 120.200 -0.015 0.000 2.171 232 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 232 E C 1.037 177.632 176.600 -0.008 0.000 0.997 232 E CA 0.572 56.958 56.400 -0.022 0.000 0.810 232 E CB -0.447 29.230 29.700 -0.038 0.000 0.738 232 E HN 0.320 nan 8.360 nan 0.000 0.467 233 R N 1.855 122.351 120.500 -0.006 0.000 4.886 233 R HA 0.064 4.404 4.340 -0.000 0.000 0.181 233 R C 1.148 177.439 176.300 -0.015 0.000 1.989 233 R CA 0.036 56.129 56.100 -0.013 0.000 1.623 233 R CB -0.285 30.009 30.300 -0.009 0.000 1.383 233 R HN 0.327 nan 8.270 nan 0.000 0.847 234 E N 0.679 120.869 120.200 -0.016 0.000 2.130 234 E HA -0.271 4.078 4.350 -0.000 0.000 0.196 234 E C 1.446 177.999 176.600 -0.077 0.000 0.998 234 E CA 1.041 57.422 56.400 -0.033 0.000 0.806 234 E CB -0.067 29.602 29.700 -0.052 0.000 0.738 234 E HN 0.496 nan 8.360 nan 0.000 0.459 235 L N 0.596 121.767 121.223 -0.087 0.000 1.989 235 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 235 L C 2.470 179.304 176.870 -0.060 0.000 1.071 235 L CA 1.486 56.272 54.840 -0.090 0.000 0.749 235 L CB -0.194 41.814 42.059 -0.085 0.000 0.890 235 L HN 0.107 nan 8.230 nan 0.000 0.431 236 E N -0.951 119.224 120.200 -0.041 0.000 2.482 236 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 236 E C 2.039 178.629 176.600 -0.018 0.000 1.047 236 E CA 0.375 56.758 56.400 -0.028 0.000 0.869 236 E CB 0.257 29.944 29.700 -0.021 0.000 0.836 236 E HN 0.333 nan 8.360 nan 0.000 0.520 237 Q N -0.393 119.397 119.800 -0.015 0.000 2.204 237 Q HA 0.023 4.363 4.340 -0.000 0.000 0.198 237 Q C 2.146 178.143 176.000 -0.005 0.000 0.946 237 Q CA 0.455 56.257 55.803 -0.002 0.000 0.859 237 Q CB 0.087 28.832 28.738 0.012 0.000 0.946 237 Q HN 0.409 nan 8.270 nan 0.000 0.474 238 I N 0.929 121.487 120.570 -0.019 0.000 2.091 238 I HA -0.328 3.842 4.170 -0.000 0.000 0.239 238 I C 2.178 178.286 176.117 -0.016 0.000 1.061 238 I CA 1.558 62.845 61.300 -0.022 0.000 1.317 238 I CB -0.310 37.660 38.000 -0.050 0.000 1.031 238 I HN 0.096 nan 8.210 nan 0.000 0.401 239 A N -1.196 121.610 122.820 -0.022 0.000 2.067 239 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 239 A C 0.666 178.243 177.584 -0.012 0.000 1.158 239 A CA 1.485 53.512 52.037 -0.018 0.000 0.661 239 A CB -0.180 18.806 19.000 -0.024 0.000 0.801 239 A HN 0.502 nan 8.150 nan 0.000 0.452 240 D N -1.512 118.882 120.400 -0.009 0.000 2.752 240 D HA 0.186 4.826 4.640 -0.000 0.000 0.242 240 D C -0.184 176.114 176.300 -0.004 0.000 1.295 240 D CA -0.424 53.572 54.000 -0.006 0.000 0.846 240 D CB 0.007 40.802 40.800 -0.008 0.000 1.454 240 D HN 0.274 nan 8.370 nan 0.000 0.535 241 R N 0.566 121.066 120.500 -0.001 0.000 2.545 241 R HA 0.253 4.593 4.340 -0.000 0.000 0.269 241 R C 0.431 176.729 176.300 -0.004 0.000 0.970 241 R CA 1.245 57.346 56.100 0.002 0.000 1.096 241 R CB 0.305 30.607 30.300 0.004 0.000 0.889 241 R HN 0.398 nan 8.270 nan 0.000 0.422 242 G N -0.275 108.523 108.800 -0.004 0.000 3.105 242 G HA2 0.161 4.121 3.960 -0.000 0.000 0.277 242 G HA3 0.161 4.121 3.960 -0.000 0.000 0.277 242 G C 0.034 174.909 174.900 -0.042 0.000 1.375 242 G CA -0.090 45.000 45.100 -0.015 0.000 0.962 242 G HN 0.535 nan 8.290 nan 0.000 0.541 243 T N -0.435 114.065 114.554 -0.090 0.000 3.088 243 T HA 0.186 4.536 4.350 -0.000 0.000 0.259 243 T C 2.393 177.009 174.700 -0.140 0.000 1.122 243 T CA 1.855 63.851 62.100 -0.172 0.000 1.095 243 T CB -0.533 68.128 68.868 -0.346 0.000 0.930 243 T HN 0.660 nan 8.240 nan 0.000 0.508 244 A N 1.474 124.280 122.820 -0.022 0.000 1.841 244 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 244 A C 2.693 180.313 177.584 0.060 0.000 1.199 244 A CA 2.004 54.102 52.037 0.101 0.000 0.621 244 A CB -1.452 17.626 19.000 0.131 0.000 0.835 244 A HN 0.608 nan 8.150 nan 0.000 0.445 245 A N -0.621 122.224 122.820 0.043 0.000 2.015 245 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 245 A C 1.905 179.506 177.584 0.027 0.000 1.163 245 A CA 1.566 53.634 52.037 0.051 0.000 0.646 245 A CB -0.506 18.525 19.000 0.051 0.000 0.806 245 A HN 0.676 nan 8.150 nan 0.000 0.448 246 E N -0.166 120.026 120.200 -0.013 0.000 2.028 246 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 246 E C 2.319 178.874 176.600 -0.075 0.000 0.988 246 E CA 1.207 57.583 56.400 -0.041 0.000 0.799 246 E CB -0.250 29.410 29.700 -0.067 0.000 0.755 246 E HN 0.573 nan 8.360 nan 0.000 0.447 247 R N 0.754 121.199 120.500 -0.092 0.000 2.081 247 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 247 R C 2.472 178.742 176.300 -0.051 0.000 1.131 247 R CA 1.062 57.096 56.100 -0.110 0.000 0.960 247 R CB -0.465 29.788 30.300 -0.077 0.000 0.856 247 R HN 0.113 nan 8.270 nan 0.000 0.436 248 A N 1.784 124.618 122.820 0.024 0.000 1.892 248 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 248 A C 2.383 180.058 177.584 0.152 0.000 1.188 248 A CA 2.006 54.098 52.037 0.091 0.000 0.631 248 A CB -0.865 18.216 19.000 0.135 0.000 0.822 248 A HN 0.432 nan 8.150 nan 0.000 0.447 249 A N -0.187 122.691 122.820 0.096 0.000 1.844 249 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 249 A C 2.055 179.630 177.584 -0.015 0.000 1.217 249 A CA 1.669 53.762 52.037 0.093 0.000 0.644 249 A CB -1.152 17.872 19.000 0.039 0.000 0.850 249 A HN 0.552 nan 8.150 nan 0.000 0.456 250 L N -1.446 119.641 121.223 -0.227 0.000 2.211 250 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 250 L C 2.438 178.843 176.870 -0.774 0.000 1.092 250 L CA 1.817 56.267 54.840 -0.649 0.000 0.767 250 L CB -0.651 40.783 42.059 -1.042 0.000 0.894 250 L HN 0.619 nan 8.230 nan 0.000 0.437 251 F N -0.427 119.197 119.950 -0.543 0.000 2.113 251 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 251 F C 2.030 177.589 175.800 -0.402 0.000 1.103 251 F CA 1.271 58.962 58.000 -0.516 0.000 1.248 251 F CB -0.516 38.102 39.000 -0.637 0.000 0.999 251 F HN -0.044 nan 8.300 nan 0.000 0.475 252 W N 0.561 121.874 121.300 0.021 0.000 2.381 252 W HA -0.037 4.623 4.660 -0.000 0.000 0.301 252 W C 2.713 179.173 176.519 -0.099 0.000 1.205 252 W CA 1.046 58.373 57.345 -0.030 0.000 1.285 252 W CB -0.440 29.033 29.460 0.022 0.000 1.133 252 W HN -0.148 nan 8.180 nan 0.000 0.521 253 R N -0.501 120.090 120.500 0.152 0.000 2.235 253 R HA -0.138 4.202 4.340 -0.000 0.000 0.213 253 R C 1.139 177.627 176.300 0.313 0.000 1.059 253 R CA 0.980 57.210 56.100 0.217 0.000 0.997 253 R CB -0.359 30.070 30.300 0.215 0.000 0.884 253 R HN 0.195 nan 8.270 nan 0.000 0.462 254 W N -0.713 120.524 121.300 -0.104 0.000 3.278 254 W HA 0.220 4.880 4.660 -0.000 0.000 0.308 254 W C 1.425 177.820 176.519 -0.207 0.000 1.253 254 W CA -0.026 57.235 57.345 -0.140 0.000 1.759 254 W CB 0.000 29.353 29.460 -0.179 0.000 1.093 254 W HN -0.044 nan 8.180 nan 0.000 0.648 255 T N 0.098 114.621 114.554 -0.052 0.000 3.082 255 T HA 0.035 4.385 4.350 -0.000 0.000 0.235 255 T C 1.438 176.184 174.700 0.077 0.000 0.991 255 T CA 0.878 62.901 62.100 -0.129 0.000 1.220 255 T CB -0.017 68.607 68.868 -0.407 0.000 0.909 255 T HN 0.043 nan 8.240 nan 0.000 0.424 256 M N 0.003 119.721 119.600 0.197 0.000 2.778 256 M HA 0.596 5.076 4.480 -0.000 0.000 0.359 256 M C 0.965 177.504 176.300 0.397 0.000 1.216 256 M CA -0.171 55.300 55.300 0.285 0.000 0.935 256 M CB 0.471 33.275 32.600 0.340 0.000 1.330 256 M HN 0.301 nan 8.290 nan 0.000 0.516 257 G N 1.545 110.531 108.800 0.309 0.000 2.168 257 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 257 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 257 G C -0.104 175.076 174.900 0.468 0.000 0.977 257 G CA 1.025 46.306 45.100 0.301 0.000 0.659 257 G HN 0.930 nan 8.290 nan 0.000 0.533 258 F N -2.128 117.896 119.950 0.124 0.000 3.913 258 F HA 0.600 5.127 4.527 -0.000 0.000 0.331 258 F C -0.611 175.279 175.800 0.151 0.000 1.092 258 F CA -0.684 57.392 58.000 0.127 0.000 0.849 258 F CB 0.415 39.483 39.000 0.112 0.000 1.719 258 F HN 0.766 nan 8.300 nan 0.000 0.510 259 N N 0.552 119.256 118.700 0.007 0.000 4.046 259 N HA 0.591 5.331 4.740 -0.000 0.000 0.217 259 N C -1.560 173.954 175.510 0.007 0.000 1.317 259 N CA -0.477 52.531 53.050 -0.070 0.000 0.871 259 N CB 1.269 39.812 38.487 0.093 0.000 1.461 259 N HN 1.054 nan 8.380 nan 0.000 0.489 260 A N -0.270 122.556 122.820 0.010 0.000 3.521 260 A HA 0.936 5.256 4.320 -0.000 0.000 0.181 260 A C 0.151 177.810 177.584 0.125 0.000 1.386 260 A CA 0.316 52.431 52.037 0.129 0.000 0.873 260 A CB 0.177 19.252 19.000 0.126 0.000 1.634 260 A HN 1.365 nan 8.150 nan 0.000 0.551 261 T N -4.539 110.098 114.554 0.139 0.000 2.669 261 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 261 T C 0.603 175.385 174.700 0.137 0.000 1.019 261 T CA 0.108 62.278 62.100 0.117 0.000 1.039 261 T CB 0.885 69.809 68.868 0.094 0.000 1.374 261 T HN 0.336 nan 8.240 nan 0.000 0.523 262 M N 0.428 120.095 119.600 0.111 0.000 2.334 262 M HA 0.270 4.750 4.480 -0.000 0.000 0.266 262 M C 2.073 178.431 176.300 0.097 0.000 1.082 262 M CA 1.546 56.921 55.300 0.124 0.000 1.141 262 M CB -0.677 31.963 32.600 0.066 0.000 1.380 262 M HN 0.869 nan 8.290 nan 0.000 0.440 263 E N -0.917 119.315 120.200 0.052 0.000 2.008 263 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 263 E C 1.977 178.644 176.600 0.113 0.000 0.986 263 E CA 1.273 57.685 56.400 0.021 0.000 0.807 263 E CB -0.690 29.016 29.700 0.010 0.000 0.766 263 E HN 0.474 nan 8.360 nan 0.000 0.450 264 G N 1.933 110.798 108.800 0.109 0.000 2.732 264 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.222 264 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.222 264 G C 1.536 176.555 174.900 0.199 0.000 1.203 264 G CA 1.418 46.593 45.100 0.126 0.000 0.780 264 G HN 0.394 nan 8.290 nan 0.000 0.621 265 I N 1.052 121.763 120.570 0.235 0.000 2.290 265 I HA -0.234 3.936 4.170 -0.000 0.000 0.253 265 I C 2.311 178.404 176.117 -0.040 0.000 1.112 265 I CA 1.465 62.859 61.300 0.157 0.000 1.377 265 I CB -0.554 37.440 38.000 -0.010 0.000 1.060 265 I HN 0.329 nan 8.210 nan 0.000 0.428 266 H N -0.798 118.235 119.070 -0.062 0.000 2.524 266 H HA 0.077 4.632 4.556 -0.000 0.000 0.282 266 H C 2.284 177.590 175.328 -0.037 0.000 1.016 266 H CA 0.925 56.900 56.048 -0.122 0.000 1.270 266 H CB 0.001 29.686 29.762 -0.128 0.000 1.394 266 H HN 0.305 nan 8.280 nan 0.000 0.568 267 R N -1.241 119.331 120.500 0.119 0.000 2.090 267 R HA -0.057 4.282 4.340 -0.000 0.000 0.219 267 R C 1.409 177.830 176.300 0.201 0.000 1.100 267 R CA 0.599 56.786 56.100 0.144 0.000 0.991 267 R CB -0.195 30.174 30.300 0.114 0.000 0.893 267 R HN 0.294 nan 8.270 nan 0.000 0.443 268 W N 1.590 122.923 121.300 0.055 0.000 2.194 268 W HA -0.329 4.331 4.660 -0.000 0.000 0.323 268 W C 2.460 178.981 176.519 0.004 0.000 1.222 268 W CA 1.843 59.210 57.345 0.036 0.000 1.136 268 W CB -0.910 28.511 29.460 -0.065 0.000 1.162 268 W HN 0.183 nan 8.180 nan 0.000 0.466 269 A N 0.575 123.500 122.820 0.174 0.000 2.182 269 A HA -0.423 3.897 4.320 -0.000 0.000 0.235 269 A C 1.905 179.466 177.584 -0.038 0.000 1.757 269 A CA 2.592 54.597 52.037 -0.053 0.000 0.923 269 A CB -1.657 17.164 19.000 -0.299 0.000 0.784 269 A HN 0.497 nan 8.150 nan 0.000 0.514 270 I N -1.559 118.944 120.570 -0.112 0.000 2.346 270 I HA -0.357 3.813 4.170 -0.000 0.000 0.240 270 I C 2.155 178.092 176.117 -0.301 0.000 0.970 270 I CA 2.780 63.960 61.300 -0.200 0.000 1.269 270 I CB -1.236 36.635 38.000 -0.216 0.000 0.971 270 I HN 0.680 nan 8.210 nan 0.000 0.412 271 W N -0.172 121.095 121.300 -0.055 0.000 2.423 271 W HA -0.198 4.461 4.660 -0.000 0.000 0.321 271 W C 2.616 179.028 176.519 -0.179 0.000 1.180 271 W CA 1.270 58.548 57.345 -0.111 0.000 1.322 271 W CB -0.970 28.416 29.460 -0.122 0.000 1.174 271 W HN 0.119 nan 8.180 nan 0.000 0.470 272 M N 1.011 120.681 119.600 0.117 0.000 2.217 272 M HA -0.367 4.113 4.480 -0.000 0.000 0.245 272 M C 1.545 177.793 176.300 -0.088 0.000 1.101 272 M CA 2.536 57.843 55.300 0.012 0.000 1.050 272 M CB -0.694 31.979 32.600 0.121 0.000 1.357 272 M HN 0.062 nan 8.290 nan 0.000 0.394 273 A N -2.476 120.308 122.820 -0.060 0.000 1.944 273 A HA 0.176 4.496 4.320 -0.000 0.000 0.207 273 A C 1.942 179.486 177.584 -0.066 0.000 1.265 273 A CA 0.641 52.659 52.037 -0.032 0.000 0.712 273 A CB -0.705 18.295 19.000 0.000 0.000 0.915 273 A HN 0.265 nan 8.150 nan 0.000 0.470 274 V N 0.856 120.693 119.914 -0.128 0.000 2.527 274 V HA -0.287 3.833 4.120 -0.000 0.000 0.255 274 V C 2.367 178.427 176.094 -0.055 0.000 1.081 274 V CA 2.030 64.249 62.300 -0.134 0.000 1.092 274 V CB -0.754 30.862 31.823 -0.345 0.000 0.673 274 V HN 0.553 nan 8.190 nan 0.000 0.470 275 L N -1.322 119.834 121.223 -0.112 0.000 2.395 275 L HA -0.059 4.281 4.340 -0.000 0.000 0.218 275 L C 2.269 179.224 176.870 0.141 0.000 1.130 275 L CA 0.311 55.087 54.840 -0.107 0.000 0.826 275 L CB -0.352 41.295 42.059 -0.687 0.000 0.941 275 L HN 0.186 nan 8.230 nan 0.000 0.451 276 V N 0.075 120.075 119.914 0.144 0.000 2.261 276 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 276 V C 2.684 178.885 176.094 0.179 0.000 1.047 276 V CA 2.563 65.006 62.300 0.239 0.000 1.015 276 V CB -0.764 31.150 31.823 0.153 0.000 0.642 276 V HN 0.679 nan 8.190 nan 0.000 0.446 277 T N -2.337 112.302 114.554 0.141 0.000 3.118 277 T HA -0.026 4.324 4.350 -0.000 0.000 0.260 277 T C 1.642 176.520 174.700 0.296 0.000 1.139 277 T CA 1.003 63.191 62.100 0.146 0.000 1.085 277 T CB 0.018 68.963 68.868 0.129 0.000 0.934 277 T HN 0.236 nan 8.240 nan 0.000 0.518 278 L N 2.488 123.886 121.223 0.291 0.000 2.062 278 L HA 0.111 4.451 4.340 -0.000 0.000 0.202 278 L C 2.945 180.034 176.870 0.365 0.000 1.079 278 L CA 2.363 57.422 54.840 0.365 0.000 0.755 278 L CB -1.236 40.937 42.059 0.189 0.000 0.913 278 L HN 0.472 nan 8.230 nan 0.000 0.445 279 T N -2.570 112.176 114.554 0.319 0.000 2.685 279 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 279 T C 1.882 176.701 174.700 0.199 0.000 1.034 279 T CA 1.434 63.721 62.100 0.312 0.000 1.149 279 T CB -1.658 67.442 68.868 0.387 0.000 0.860 279 T HN 0.432 nan 8.240 nan 0.000 0.449 280 G N 1.548 110.441 108.800 0.156 0.000 2.604 280 G HA2 0.072 4.032 3.960 -0.000 0.000 0.216 280 G HA3 0.072 4.032 3.960 -0.000 0.000 0.216 280 G C 1.871 176.731 174.900 -0.067 0.000 1.265 280 G CA 0.900 46.020 45.100 0.033 0.000 0.804 280 G HN 0.762 nan 8.290 nan 0.000 0.579 281 G N 0.502 109.195 108.800 -0.180 0.000 2.852 281 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.225 281 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.225 281 G C 1.542 176.245 174.900 -0.327 0.000 1.080 281 G CA 1.347 46.051 45.100 -0.660 0.000 0.729 281 G HN 0.333 nan 8.290 nan 0.000 0.636 282 I N 1.164 121.706 120.570 -0.047 0.000 2.315 282 I HA 0.061 4.231 4.170 -0.000 0.000 0.233 282 I C 3.134 179.147 176.117 -0.175 0.000 1.067 282 I CA 1.169 62.370 61.300 -0.164 0.000 1.376 282 I CB -1.760 35.944 38.000 -0.493 0.000 1.143 282 I HN 0.225 nan 8.210 nan 0.000 0.421 283 G N 2.628 111.359 108.800 -0.116 0.000 2.783 283 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.225 283 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.225 283 G C 1.550 176.474 174.900 0.040 0.000 1.191 283 G CA 1.443 46.581 45.100 0.065 0.000 0.774 283 G HN 0.271 nan 8.290 nan 0.000 0.632 284 I N 0.473 120.999 120.570 -0.073 0.000 2.226 284 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 284 I C 2.748 178.809 176.117 -0.093 0.000 1.100 284 I CA 0.778 61.953 61.300 -0.207 0.000 1.374 284 I CB -1.320 36.467 38.000 -0.355 0.000 1.057 284 I HN 0.175 nan 8.210 nan 0.000 0.413 285 L N 0.075 121.290 121.223 -0.014 0.000 2.263 285 L HA -0.175 4.164 4.340 -0.000 0.000 0.216 285 L C 2.249 179.298 176.870 0.298 0.000 1.111 285 L CA 1.601 56.544 54.840 0.172 0.000 0.773 285 L CB -0.255 41.827 42.059 0.038 0.000 0.906 285 L HN 0.149 nan 8.230 nan 0.000 0.439 286 L N -2.085 119.309 121.223 0.286 0.000 2.286 286 L HA 0.100 4.440 4.340 -0.000 0.000 0.203 286 L C 1.000 178.107 176.870 0.396 0.000 1.068 286 L CA 0.029 55.072 54.840 0.338 0.000 0.811 286 L CB -0.147 42.160 42.059 0.413 0.000 0.989 286 L HN 0.026 nan 8.230 nan 0.000 0.467 287 S N 0.936 117.005 115.700 0.615 0.000 2.544 287 S HA -0.033 4.437 4.470 -0.000 0.000 0.290 287 S C 0.510 175.284 174.600 0.289 0.000 1.276 287 S CA 0.787 59.325 58.200 0.563 0.000 1.075 287 S CB 1.014 64.782 63.200 0.947 0.000 0.849 287 S HN 0.530 nan 8.310 nan 0.000 0.494 288 D N 1.026 121.485 120.400 0.098 0.000 3.136 288 D HA -0.263 4.377 4.640 -0.000 0.000 0.223 288 D C 1.422 177.741 176.300 0.032 0.000 1.109 288 D CA 2.016 56.091 54.000 0.124 0.000 2.081 288 D CB -1.667 39.224 40.800 0.153 0.000 1.281 288 D HN 0.658 nan 8.370 nan 0.000 0.553 289 T N -1.611 112.966 114.554 0.039 0.000 2.851 289 T HA 0.076 4.426 4.350 -0.000 0.000 0.262 289 T C 1.822 176.520 174.700 -0.003 0.000 1.043 289 T CA 1.934 64.020 62.100 -0.024 0.000 1.140 289 T CB -0.115 68.734 68.868 -0.033 0.000 0.872 289 T HN 0.243 nan 8.240 nan 0.000 0.446 290 V N 0.221 120.147 119.914 0.019 0.000 3.645 290 V HA 0.395 4.515 4.120 -0.000 0.000 0.275 290 V C 0.026 176.071 176.094 -0.082 0.000 1.356 290 V CA -0.162 62.138 62.300 -0.000 0.000 1.051 290 V CB 0.891 32.742 31.823 0.048 0.000 0.828 290 V HN 0.381 nan 8.190 nan 0.000 0.441 291 V N 0.259 120.068 119.914 -0.175 0.000 2.610 291 V HA 0.324 4.444 4.120 -0.000 0.000 0.288 291 V C -0.049 175.843 176.094 -0.337 0.000 1.055 291 V CA -0.516 61.554 62.300 -0.383 0.000 0.902 291 V CB 1.752 32.992 31.823 -0.973 0.000 1.030 291 V HN 0.189 nan 8.190 nan 0.000 0.448 292 D N 2.182 122.476 120.400 -0.178 0.000 2.277 292 D HA 0.009 4.648 4.640 -0.000 0.000 0.208 292 D C 0.557 176.810 176.300 -0.078 0.000 0.962 292 D CA 0.995 54.949 54.000 -0.076 0.000 0.865 292 D CB 0.545 41.313 40.800 -0.053 0.000 0.939 292 D HN 0.514 nan 8.370 nan 0.000 0.510 293 N N -0.770 117.844 118.700 -0.144 0.000 2.336 293 N HA 0.014 4.754 4.740 -0.000 0.000 0.290 293 N C -0.514 174.953 175.510 -0.072 0.000 1.058 293 N CA -0.546 52.489 53.050 -0.026 0.000 0.865 293 N CB 0.915 39.433 38.487 0.052 0.000 1.581 293 N HN -0.157 nan 8.380 nan 0.000 0.480 294 W N 1.680 123.128 121.300 0.246 0.000 2.737 294 W HA 0.104 4.764 4.660 -0.000 0.000 0.262 294 W C 1.639 178.337 176.519 0.299 0.000 1.282 294 W CA -0.029 57.479 57.345 0.272 0.000 1.386 294 W CB -0.073 29.547 29.460 0.268 0.000 1.099 294 W HN 0.701 nan 8.180 nan 0.000 0.621 295 Y N 0.545 121.048 120.300 0.339 0.000 2.133 295 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 295 Y C 2.263 178.116 175.900 -0.079 0.000 1.134 295 Y CA 2.166 60.248 58.100 -0.029 0.000 1.133 295 Y CB -0.854 37.642 38.460 0.061 0.000 0.987 295 Y HN -0.254 nan 8.280 nan 0.000 0.502 296 V N -0.003 120.061 119.914 0.250 0.000 2.220 296 V HA -0.413 3.707 4.120 -0.000 0.000 0.250 296 V C 2.043 178.124 176.094 -0.022 0.000 1.053 296 V CA 2.431 64.804 62.300 0.123 0.000 1.019 296 V CB -1.251 30.647 31.823 0.125 0.000 0.646 296 V HN 0.775 nan 8.190 nan 0.000 0.455 297 W N 1.084 122.302 121.300 -0.137 0.000 2.361 297 W HA -0.170 4.490 4.660 -0.000 0.000 0.270 297 W C 1.992 178.322 176.519 -0.314 0.000 1.210 297 W CA 1.296 58.538 57.345 -0.171 0.000 1.174 297 W CB -0.379 28.988 29.460 -0.156 0.000 1.131 297 W HN 0.321 nan 8.180 nan 0.000 0.575 298 G N -0.783 107.948 108.800 -0.115 0.000 2.848 298 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.208 298 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.208 298 G C 1.302 175.790 174.900 -0.687 0.000 1.152 298 G CA 0.504 45.370 45.100 -0.390 0.000 0.789 298 G HN 0.273 nan 8.290 nan 0.000 0.531 299 Q N 0.224 119.673 119.800 -0.585 0.000 2.462 299 Q HA 0.104 4.444 4.340 -0.000 0.000 0.224 299 Q C 1.902 177.775 176.000 -0.211 0.000 0.911 299 Q CA 0.500 56.090 55.803 -0.354 0.000 0.925 299 Q CB -0.216 28.381 28.738 -0.234 0.000 1.063 299 Q HN 0.347 nan 8.270 nan 0.000 0.572 300 N N 0.629 119.150 118.700 -0.299 0.000 2.349 300 N HA -0.046 4.694 4.740 -0.000 0.000 0.180 300 N C -0.384 175.041 175.510 -0.142 0.000 1.024 300 N CA 0.635 53.599 53.050 -0.143 0.000 0.869 300 N CB 0.009 38.391 38.487 -0.175 0.000 1.022 300 N HN 0.282 nan 8.380 nan 0.000 0.433 301 H N -0.841 117.631 119.070 -0.996 0.000 2.944 301 H HA 0.123 4.679 4.556 -0.000 0.000 0.313 301 H C 0.631 175.395 175.328 -0.940 0.000 1.293 301 H CA 0.710 55.790 56.048 -1.613 0.000 1.173 301 H CB -1.492 27.762 29.762 -0.847 0.000 1.420 301 H HN 0.609 nan 8.280 nan 0.000 0.432 302 G N 0.000 108.329 108.800 -0.785 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 302 G CA 0.000 45.075 45.100 -0.041 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925