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 1tlt_1_B DATA FIRST_RESID 5 DATA SEQUENCE KLRIGVVGLG GIAQKAWLPV LAAASDWTLQ GAWSPTRAKA LPICESWRIP DATA SEQUENCE YADSLSSLAA SCDAVFVHSS TASHFDVVST LLNAGVHVCV DKPLAENLRD DATA SEQUENCE AERLVELAAR KKLTLMVGFN RRFAPLYGEL KTQLATAASL RMDKHRSNSV DATA SEQUENCE GPHDLYFTLL DDYLHVVDTA LWLSGGKASL DGGTLLTNDA GEMLFAEHHF DATA SEQUENCE SAGPLQITTC MHRRAGSQRE TVQAVTDGAL IDITDMREWR EERGQGVVHK DATA SEQUENCE PIPGWQSTLE QRGFVGCARH FIECVQNQTV PQTAGEQAVL AQRIVDKIWR DATA SEQUENCE DAMSE 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.648 176.600 0.080 0.000 0.988 5 K CA 0.000 56.322 56.287 0.058 0.000 0.838 5 K CB 0.000 32.530 32.500 0.049 0.000 1.064 6 L N 2.447 123.736 121.223 0.110 0.000 2.461 6 L HA 0.286 4.626 4.340 0.000 0.000 0.272 6 L C 0.378 177.338 176.870 0.149 0.000 1.197 6 L CA 0.440 55.338 54.840 0.097 0.000 0.836 6 L CB 0.272 42.360 42.059 0.048 0.000 1.105 6 L HN 0.522 nan 8.230 nan 0.000 0.477 7 R N 2.772 123.328 120.500 0.093 0.000 2.294 7 R HA 0.572 4.912 4.340 0.000 0.000 0.319 7 R C -1.066 175.280 176.300 0.077 0.000 0.984 7 R CA -0.675 55.491 56.100 0.110 0.000 0.861 7 R CB 1.000 31.339 30.300 0.066 0.000 1.104 7 R HN 0.330 nan 8.270 nan 0.000 0.451 8 I N 1.454 122.101 120.570 0.128 0.000 2.441 8 I HA 0.396 4.566 4.170 0.000 0.000 0.295 8 I C 0.637 176.790 176.117 0.059 0.000 0.994 8 I CA -0.135 61.184 61.300 0.033 0.000 1.144 8 I CB 2.088 40.077 38.000 -0.019 0.000 1.314 8 I HN 0.653 nan 8.210 nan 0.000 0.445 9 G N 4.672 113.461 108.800 -0.020 0.000 2.454 9 G HA2 0.708 4.668 3.960 0.000 0.000 0.329 9 G HA3 0.708 4.668 3.960 0.000 0.000 0.329 9 G C -1.468 173.431 174.900 -0.002 0.000 1.177 9 G CA -0.537 44.569 45.100 0.012 0.000 0.951 9 G HN 0.360 nan 8.290 nan 0.000 0.485 10 V N 0.700 120.637 119.914 0.040 0.000 2.531 10 V HA 0.457 4.577 4.120 0.000 0.000 0.301 10 V C -0.503 175.593 176.094 0.003 0.000 1.034 10 V CA -0.687 61.613 62.300 0.001 0.000 0.865 10 V CB 1.825 33.679 31.823 0.053 0.000 0.995 10 V HN 0.542 nan 8.190 nan 0.000 0.424 11 V N 3.294 123.159 119.914 -0.082 0.000 2.350 11 V HA 0.932 5.052 4.120 0.000 0.000 0.285 11 V C 0.467 176.503 176.094 -0.096 0.000 1.014 11 V CA 0.107 62.399 62.300 -0.013 0.000 0.831 11 V CB 1.304 33.148 31.823 0.035 0.000 1.000 11 V HN 1.189 nan 8.190 nan 0.000 0.433 12 G N 4.478 113.227 108.800 -0.084 0.000 2.046 12 G HA2 0.228 4.188 3.960 0.000 0.000 0.180 12 G HA3 0.228 4.188 3.960 0.000 0.000 0.180 12 G C -0.477 174.375 174.900 -0.079 0.000 1.990 12 G CA -0.811 44.252 45.100 -0.061 0.000 0.997 12 G HN 0.477 nan 8.290 nan 0.000 0.592 13 L N 1.337 122.483 121.223 -0.128 0.000 2.422 13 L HA 0.091 4.431 4.340 0.000 0.000 0.248 13 L C 2.406 179.212 176.870 -0.106 0.000 1.082 13 L CA 3.248 58.006 54.840 -0.135 0.000 0.840 13 L CB -0.620 41.365 42.059 -0.123 0.000 0.948 13 L HN 1.239 nan 8.230 nan 0.000 0.414 14 G N -3.337 105.412 108.800 -0.085 0.000 4.163 14 G HA2 0.291 4.251 3.960 0.000 0.000 0.210 14 G HA3 0.291 4.251 3.960 0.000 0.000 0.210 14 G C 0.935 175.802 174.900 -0.055 0.000 1.036 14 G CA 0.354 45.401 45.100 -0.089 0.000 0.844 14 G HN 0.767 nan 8.290 nan 0.000 0.428 15 G N 1.611 110.392 108.800 -0.031 0.000 2.586 15 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 15 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 15 G C 1.553 176.451 174.900 -0.003 0.000 1.216 15 G CA 1.662 46.758 45.100 -0.007 0.000 0.786 15 G HN 0.434 nan 8.290 nan 0.000 0.583 16 I N 0.316 120.888 120.570 0.003 0.000 2.899 16 I HA 0.187 4.357 4.170 0.000 0.000 0.257 16 I C 3.187 179.270 176.117 -0.057 0.000 1.115 16 I CA 0.617 61.911 61.300 -0.009 0.000 1.451 16 I CB -0.472 37.547 38.000 0.033 0.000 1.251 16 I HN 0.212 nan 8.210 nan 0.000 0.456 17 A N 1.933 124.740 122.820 -0.021 0.000 1.909 17 A HA -0.390 3.930 4.320 0.000 0.000 0.221 17 A C 2.259 179.758 177.584 -0.141 0.000 1.223 17 A CA 3.035 55.058 52.037 -0.023 0.000 0.658 17 A CB -1.171 17.846 19.000 0.029 0.000 0.831 17 A HN 0.658 nan 8.150 nan 0.000 0.462 18 Q N -0.825 118.874 119.800 -0.168 0.000 2.152 18 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 18 Q C 1.820 177.735 176.000 -0.142 0.000 0.985 18 Q CA 2.241 57.898 55.803 -0.243 0.000 0.863 18 Q CB -0.238 28.412 28.738 -0.146 0.000 0.904 18 Q HN 0.517 nan 8.270 nan 0.000 0.422 19 K N -0.327 120.016 120.400 -0.095 0.000 2.031 19 K HA 0.092 4.412 4.320 0.000 0.000 0.205 19 K C 1.701 178.226 176.600 -0.125 0.000 1.049 19 K CA 1.498 57.749 56.287 -0.059 0.000 0.939 19 K CB -0.132 32.337 32.500 -0.051 0.000 0.717 19 K HN 0.391 nan 8.250 nan 0.000 0.438 20 A N -1.199 121.447 122.820 -0.290 0.000 2.018 20 A HA 0.084 4.404 4.320 0.000 0.000 0.201 20 A C 1.440 178.703 177.584 -0.536 0.000 1.892 20 A CA -0.323 51.398 52.037 -0.526 0.000 0.962 20 A CB -1.004 17.343 19.000 -1.089 0.000 1.195 20 A HN 0.325 nan 8.150 nan 0.000 0.615 21 W N -0.088 120.805 121.300 -0.679 0.000 3.032 21 W HA 0.110 4.770 4.660 0.000 0.000 0.254 21 W C 1.189 177.522 176.519 -0.310 0.000 1.307 21 W CA 0.161 57.160 57.345 -0.577 0.000 1.381 21 W CB 0.236 29.239 29.460 -0.761 0.000 1.117 21 W HN 0.370 nan 8.180 nan 0.000 0.700 22 L N -0.743 120.430 121.223 -0.084 0.000 2.678 22 L HA 0.221 4.561 4.340 0.000 0.000 0.187 22 L C -1.185 175.626 176.870 -0.097 0.000 1.073 22 L CA 0.312 55.016 54.840 -0.226 0.000 0.883 22 L CB -0.951 40.739 42.059 -0.614 0.000 1.501 22 L HN -0.354 nan 8.230 nan 0.000 0.488 23 P HA -0.058 nan 4.420 nan 0.000 0.228 23 P C 1.627 179.062 177.300 0.225 0.000 1.151 23 P CA 1.300 64.612 63.100 0.353 0.000 0.770 23 P CB -0.073 31.818 31.700 0.319 0.000 0.786 24 V N -4.389 115.594 119.914 0.114 0.000 2.970 24 V HA -0.075 4.045 4.120 0.000 0.000 0.260 24 V C 1.488 177.748 176.094 0.277 0.000 1.100 24 V CA 1.392 63.769 62.300 0.129 0.000 1.122 24 V CB -1.187 30.640 31.823 0.008 0.000 0.721 24 V HN 0.001 nan 8.190 nan 0.000 0.483 25 L N 0.736 122.156 121.223 0.329 0.000 2.607 25 L HA 0.451 4.791 4.340 0.000 0.000 0.228 25 L C 2.129 179.238 176.870 0.397 0.000 1.123 25 L CA 1.022 56.175 54.840 0.523 0.000 0.890 25 L CB -1.284 41.053 42.059 0.464 0.000 1.103 25 L HN 0.463 nan 8.230 nan 0.000 0.468 26 A N -0.499 122.511 122.820 0.317 0.000 2.416 26 A HA 0.486 4.806 4.320 0.000 0.000 0.252 26 A C 1.762 179.413 177.584 0.111 0.000 1.353 26 A CA 0.822 52.991 52.037 0.220 0.000 0.996 26 A CB -0.285 18.854 19.000 0.231 0.000 0.961 26 A HN 0.309 nan 8.150 nan 0.000 0.523 27 A N -0.356 122.520 122.820 0.092 0.000 2.106 27 A HA 0.651 4.971 4.320 0.000 0.000 0.218 27 A C 1.362 178.827 177.584 -0.199 0.000 1.718 27 A CA 0.902 52.936 52.037 -0.005 0.000 0.768 27 A CB -0.829 18.235 19.000 0.107 0.000 1.321 27 A HN 2.100 nan 8.150 nan 0.000 0.567 28 A N -0.803 121.697 122.820 -0.534 0.000 1.616 28 A HA 0.193 4.513 4.320 0.000 0.000 0.208 28 A C 0.022 177.283 177.584 -0.539 0.000 1.293 28 A CA 0.737 52.323 52.037 -0.751 0.000 0.657 28 A CB -1.866 16.911 19.000 -0.372 0.000 1.154 28 A HN 1.496 nan 8.150 nan 0.000 0.202 29 S N 2.032 117.315 115.700 -0.694 0.000 2.428 29 S HA 0.540 5.010 4.470 0.000 0.000 0.269 29 S C 0.174 174.591 174.600 -0.305 0.000 1.026 29 S CA 0.330 58.322 58.200 -0.346 0.000 1.019 29 S CB 1.352 64.439 63.200 -0.189 0.000 1.191 29 S HN 1.781 nan 8.310 nan 0.000 0.429 30 D N 0.987 121.289 120.400 -0.163 0.000 2.330 30 D HA -0.104 4.536 4.640 0.000 0.000 0.168 30 D C -0.296 176.072 176.300 0.113 0.000 0.992 30 D CA 1.921 55.922 54.000 0.001 0.000 1.025 30 D CB -0.935 39.926 40.800 0.101 0.000 1.089 30 D HN 0.716 nan 8.370 nan 0.000 0.487 31 W N 0.127 121.447 121.300 0.034 0.000 3.075 31 W HA 0.611 5.271 4.660 0.000 0.000 0.334 31 W C -1.104 175.449 176.519 0.056 0.000 1.243 31 W CA -0.237 57.130 57.345 0.038 0.000 1.170 31 W CB 0.622 30.111 29.460 0.049 0.000 1.452 31 W HN -0.034 nan 8.180 nan 0.000 0.572 32 T N 1.324 116.120 114.554 0.404 0.000 2.907 32 T HA 0.478 4.828 4.350 0.000 0.000 0.292 32 T C -1.157 173.818 174.700 0.458 0.000 1.043 32 T CA -0.760 61.503 62.100 0.272 0.000 1.003 32 T CB 1.703 70.648 68.868 0.128 0.000 1.084 32 T HN 0.543 nan 8.240 nan 0.000 0.483 33 L N 4.263 125.716 121.223 0.383 0.000 2.356 33 L HA 0.384 4.724 4.340 0.000 0.000 0.282 33 L C 0.156 177.157 176.870 0.219 0.000 1.132 33 L CA -0.411 54.648 54.840 0.365 0.000 0.923 33 L CB 0.390 42.667 42.059 0.362 0.000 1.278 33 L HN 0.710 nan 8.230 nan 0.000 0.436 34 Q N 4.149 124.056 119.800 0.178 0.000 3.181 34 Q HA 0.362 4.702 4.340 0.000 0.000 0.293 34 Q C 0.327 176.388 176.000 0.102 0.000 1.406 34 Q CA 0.592 56.465 55.803 0.116 0.000 1.026 34 Q CB -0.031 28.758 28.738 0.085 0.000 1.630 34 Q HN 0.767 nan 8.270 nan 0.000 0.553 35 G N 0.742 109.616 108.800 0.123 0.000 2.880 35 G HA2 0.130 4.090 3.960 0.000 0.000 0.617 35 G HA3 0.130 4.090 3.960 0.000 0.000 0.617 35 G C -0.846 174.134 174.900 0.133 0.000 1.493 35 G CA -0.468 44.708 45.100 0.126 0.000 0.916 35 G HN 1.024 nan 8.290 nan 0.000 0.553 36 A N -0.338 122.583 122.820 0.169 0.000 2.572 36 A HA 0.854 5.174 4.320 0.000 0.000 0.295 36 A C -1.015 176.756 177.584 0.311 0.000 1.072 36 A CA 0.488 52.635 52.037 0.185 0.000 0.691 36 A CB 1.687 20.765 19.000 0.130 0.000 1.291 36 A HN 2.243 nan 8.150 nan 0.000 0.404 37 W N 1.019 122.360 121.300 0.068 0.000 3.029 37 W HA 0.707 5.367 4.660 0.000 0.000 0.339 37 W C -0.441 176.126 176.519 0.080 0.000 1.198 37 W CA 0.324 57.734 57.345 0.109 0.000 1.148 37 W CB 2.011 31.479 29.460 0.014 0.000 1.451 37 W HN 1.377 nan 8.180 nan 0.000 0.564 38 S N 2.912 117.930 115.700 -1.138 0.000 2.565 38 S HA 0.492 4.962 4.470 0.000 0.000 0.269 38 S C -2.362 171.157 174.600 -1.801 0.000 1.153 38 S CA -1.078 56.390 58.200 -1.220 0.000 0.835 38 S CB 2.337 65.231 63.200 -0.510 0.000 1.122 38 S HN 0.410 nan 8.310 nan 0.000 0.462 39 P HA -0.041 nan 4.420 nan 0.000 0.215 39 P C 0.402 177.522 177.300 -0.300 0.000 1.153 39 P CA 1.247 63.979 63.100 -0.612 0.000 0.853 39 P CB -0.615 30.915 31.700 -0.283 0.000 0.788 40 T N 3.817 118.205 114.554 -0.276 0.000 3.185 40 T HA 0.094 4.444 4.350 0.000 0.000 0.287 40 T C 1.431 176.045 174.700 -0.143 0.000 1.051 40 T CA -0.427 61.583 62.100 -0.151 0.000 1.051 40 T CB -0.167 68.625 68.868 -0.127 0.000 1.034 40 T HN 0.160 nan 8.240 nan 0.000 0.685 41 R N 1.359 121.834 120.500 -0.041 0.000 2.397 41 R HA 0.033 4.373 4.340 0.000 0.000 0.213 41 R C 1.093 177.363 176.300 -0.050 0.000 1.102 41 R CA 0.836 56.978 56.100 0.069 0.000 1.040 41 R CB -1.020 29.425 30.300 0.242 0.000 0.844 41 R HN 0.550 nan 8.270 nan 0.000 0.478 42 A N 1.575 124.344 122.820 -0.084 0.000 2.051 42 A HA 0.146 4.466 4.320 0.000 0.000 0.218 42 A C 1.404 178.913 177.584 -0.124 0.000 1.575 42 A CA -0.092 51.892 52.037 -0.089 0.000 0.700 42 A CB 0.126 19.097 19.000 -0.047 0.000 1.245 42 A HN 0.092 nan 8.150 nan 0.000 0.536 43 K N 0.973 121.310 120.400 -0.106 0.000 2.699 43 K HA 0.193 4.513 4.320 0.000 0.000 0.205 43 K C 0.862 177.383 176.600 -0.132 0.000 1.008 43 K CA 0.752 56.980 56.287 -0.098 0.000 1.100 43 K CB -0.167 32.288 32.500 -0.075 0.000 0.878 43 K HN 0.477 nan 8.250 nan 0.000 0.496 44 A N -0.429 122.273 122.820 -0.196 0.000 2.242 44 A HA 0.044 4.364 4.320 0.000 0.000 0.205 44 A C 1.643 179.029 177.584 -0.329 0.000 1.353 44 A CA -0.213 51.680 52.037 -0.240 0.000 1.005 44 A CB 0.043 18.882 19.000 -0.268 0.000 1.127 44 A HN 0.198 nan 8.150 nan 0.000 0.498 45 L N 0.990 121.966 121.223 -0.412 0.000 2.083 45 L HA 0.036 4.376 4.340 0.000 0.000 0.209 45 L C -0.997 175.767 176.870 -0.177 0.000 1.083 45 L CA 2.309 56.892 54.840 -0.428 0.000 0.752 45 L CB -0.874 40.986 42.059 -0.331 0.000 0.899 45 L HN 0.153 nan 8.230 nan 0.000 0.433 46 P HA -0.087 nan 4.420 nan 0.000 0.214 46 P C 1.844 179.164 177.300 0.034 0.000 1.162 46 P CA 1.472 64.558 63.100 -0.024 0.000 0.874 46 P CB 0.009 31.699 31.700 -0.017 0.000 0.784 47 I N -1.195 119.384 120.570 0.014 0.000 2.226 47 I HA -0.239 3.931 4.170 0.000 0.000 0.245 47 I C 2.469 178.666 176.117 0.132 0.000 1.100 47 I CA 1.396 62.744 61.300 0.081 0.000 1.374 47 I CB -1.639 36.307 38.000 -0.090 0.000 1.057 47 I HN 0.012 nan 8.210 nan 0.000 0.413 48 C N 0.548 119.870 119.300 0.036 0.000 2.411 48 C HA -0.147 4.313 4.460 0.000 0.000 0.279 48 C C 2.769 177.848 174.990 0.149 0.000 1.288 48 C CA 1.103 60.179 59.018 0.096 0.000 1.764 48 C CB -1.086 26.689 27.740 0.059 0.000 1.974 48 C HN 0.536 nan 8.230 nan 0.000 0.498 49 E N -0.088 120.180 120.200 0.112 0.000 2.060 49 E HA -0.095 4.255 4.350 0.000 0.000 0.189 49 E C 2.291 178.966 176.600 0.125 0.000 0.974 49 E CA 1.101 57.563 56.400 0.103 0.000 0.808 49 E CB -0.166 29.570 29.700 0.060 0.000 0.768 49 E HN 0.494 nan 8.360 nan 0.000 0.453 50 S N 0.395 116.193 115.700 0.165 0.000 2.399 50 S HA -0.138 4.332 4.470 0.000 0.000 0.231 50 S C 1.003 175.665 174.600 0.104 0.000 1.022 50 S CA 0.928 59.213 58.200 0.142 0.000 0.983 50 S CB -0.188 63.133 63.200 0.202 0.000 0.803 50 S HN 0.362 nan 8.310 nan 0.000 0.480 51 W N 1.406 122.720 121.300 0.024 0.000 3.278 51 W HA 0.367 5.027 4.660 0.000 0.000 0.308 51 W C 0.164 176.708 176.519 0.041 0.000 1.253 51 W CA -0.778 56.588 57.345 0.035 0.000 1.759 51 W CB -0.322 29.165 29.460 0.046 0.000 1.093 51 W HN 0.104 nan 8.180 nan 0.000 0.648 52 R N -0.117 120.500 120.500 0.195 0.000 3.209 52 R HA -0.218 4.122 4.340 0.000 0.000 0.252 52 R C -0.801 175.598 176.300 0.165 0.000 0.958 52 R CA 0.304 56.484 56.100 0.134 0.000 0.651 52 R CB -2.618 27.728 30.300 0.077 0.000 1.142 52 R HN 0.092 nan 8.270 nan 0.000 0.441 53 I N 0.272 120.955 120.570 0.188 0.000 2.647 53 I HA 0.441 4.611 4.170 0.000 0.000 0.295 53 I C -2.305 173.915 176.117 0.173 0.000 1.078 53 I CA -2.918 58.492 61.300 0.183 0.000 1.048 53 I CB 1.868 39.994 38.000 0.209 0.000 1.239 53 I HN -0.103 nan 8.210 nan 0.000 0.421 54 P HA 0.033 nan 4.420 nan 0.000 0.266 54 P C -1.624 175.803 177.300 0.212 0.000 1.215 54 P CA 0.317 63.508 63.100 0.152 0.000 0.763 54 P CB -0.137 31.627 31.700 0.107 0.000 0.806 55 Y N 4.802 125.155 120.300 0.087 0.000 2.676 55 Y HA 0.511 5.061 4.550 0.000 0.000 0.338 55 Y C 0.042 176.018 175.900 0.128 0.000 1.057 55 Y CA -1.744 56.420 58.100 0.107 0.000 1.314 55 Y CB -0.353 38.163 38.460 0.093 0.000 1.164 55 Y HN 0.462 nan 8.280 nan 0.000 0.509 56 A N 4.128 126.886 122.820 -0.103 0.000 2.540 56 A HA 0.001 4.321 4.320 0.000 0.000 0.239 56 A C 1.143 178.384 177.584 -0.571 0.000 1.061 56 A CA 0.532 52.422 52.037 -0.246 0.000 0.758 56 A CB 0.093 19.033 19.000 -0.099 0.000 0.991 56 A HN 0.855 nan 8.150 nan 0.000 0.502 57 D N 0.235 120.343 120.400 -0.488 0.000 2.323 57 D HA 0.047 4.687 4.640 0.000 0.000 0.209 57 D C 0.602 176.771 176.300 -0.218 0.000 0.973 57 D CA 1.422 55.187 54.000 -0.391 0.000 0.874 57 D CB 0.100 40.767 40.800 -0.221 0.000 0.930 57 D HN 0.667 nan 8.370 nan 0.000 0.521 58 S N -1.515 113.891 115.700 -0.490 0.000 2.570 58 S HA 0.219 4.689 4.470 0.000 0.000 0.270 58 S C 0.356 174.239 174.600 -1.195 0.000 1.149 58 S CA -0.818 56.904 58.200 -0.797 0.000 0.837 58 S CB 0.906 63.856 63.200 -0.418 0.000 1.124 58 S HN -0.053 nan 8.310 nan 0.000 0.465 59 L N 2.265 122.503 121.223 -1.641 0.000 2.191 59 L HA 0.061 4.401 4.340 0.000 0.000 0.212 59 L C 2.250 178.784 176.870 -0.559 0.000 1.103 59 L CA 2.161 56.315 54.840 -1.144 0.000 0.769 59 L CB -1.167 40.290 42.059 -1.003 0.000 0.908 59 L HN 0.835 nan 8.230 nan 0.000 0.438 60 S N -0.518 114.901 115.700 -0.468 0.000 2.353 60 S HA -0.214 4.256 4.470 0.000 0.000 0.222 60 S C 2.042 176.496 174.600 -0.243 0.000 1.035 60 S CA 1.646 59.672 58.200 -0.289 0.000 1.025 60 S CB -0.632 62.429 63.200 -0.232 0.000 0.902 60 S HN 0.790 nan 8.310 nan 0.000 0.440 61 S N 2.752 118.297 115.700 -0.258 0.000 2.348 61 S HA -0.008 4.462 4.470 0.000 0.000 0.221 61 S C 1.858 176.356 174.600 -0.169 0.000 1.033 61 S CA 0.828 58.914 58.200 -0.190 0.000 1.010 61 S CB -0.993 62.098 63.200 -0.182 0.000 0.891 61 S HN 0.313 nan 8.310 nan 0.000 0.442 62 L N 2.115 123.218 121.223 -0.201 0.000 2.089 62 L HA -0.149 4.191 4.340 0.000 0.000 0.213 62 L C 2.590 179.394 176.870 -0.110 0.000 1.079 62 L CA 2.440 57.207 54.840 -0.123 0.000 0.758 62 L CB -1.772 40.230 42.059 -0.096 0.000 0.891 62 L HN 0.502 nan 8.230 nan 0.000 0.433 63 A N -1.008 121.722 122.820 -0.150 0.000 1.935 63 A HA 0.082 4.402 4.320 0.000 0.000 0.214 63 A C 2.474 179.991 177.584 -0.113 0.000 1.178 63 A CA 1.230 53.188 52.037 -0.132 0.000 0.640 63 A CB -0.572 18.335 19.000 -0.155 0.000 0.825 63 A HN 0.504 nan 8.150 nan 0.000 0.447 64 A N 0.624 123.374 122.820 -0.116 0.000 1.873 64 A HA -0.119 4.201 4.320 0.000 0.000 0.218 64 A C 2.105 179.645 177.584 -0.073 0.000 1.193 64 A CA 2.162 54.142 52.037 -0.095 0.000 0.629 64 A CB -0.962 17.981 19.000 -0.096 0.000 0.826 64 A HN 1.097 nan 8.150 nan 0.000 0.447 65 S N -2.252 113.410 115.700 -0.064 0.000 2.582 65 S HA 0.466 4.936 4.470 0.000 0.000 0.249 65 S C -0.093 174.490 174.600 -0.028 0.000 1.072 65 S CA -0.472 57.704 58.200 -0.041 0.000 1.115 65 S CB -1.097 62.085 63.200 -0.030 0.000 0.790 65 S HN 0.432 nan 8.310 nan 0.000 0.459 66 C N 0.449 119.725 119.300 -0.041 0.000 3.090 66 C HA 0.542 5.002 4.460 0.000 0.000 0.305 66 C C 0.439 175.403 174.990 -0.044 0.000 1.292 66 C CA -0.707 58.291 59.018 -0.033 0.000 1.482 66 C CB 2.162 29.875 27.740 -0.043 0.000 1.897 66 C HN 0.554 nan 8.230 nan 0.000 0.469 67 D N 0.391 120.773 120.400 -0.029 0.000 2.380 67 D HA 0.308 4.948 4.640 0.000 0.000 0.212 67 D C 0.278 176.574 176.300 -0.006 0.000 1.021 67 D CA 0.672 54.661 54.000 -0.018 0.000 0.884 67 D CB 0.685 41.490 40.800 0.009 0.000 1.001 67 D HN 0.686 nan 8.370 nan 0.000 0.506 68 A N 0.415 123.211 122.820 -0.041 0.000 2.589 68 A HA 0.584 4.904 4.320 0.000 0.000 0.296 68 A C -1.412 176.085 177.584 -0.144 0.000 1.062 68 A CA -0.512 51.505 52.037 -0.034 0.000 0.686 68 A CB 1.863 20.831 19.000 -0.054 0.000 1.282 68 A HN -0.098 nan 8.150 nan 0.000 0.404 69 V N 1.102 120.886 119.914 -0.215 0.000 2.888 69 V HA 0.536 4.656 4.120 0.000 0.000 0.309 69 V C -1.404 174.338 176.094 -0.587 0.000 1.114 69 V CA -0.473 61.619 62.300 -0.347 0.000 0.940 69 V CB 1.897 33.602 31.823 -0.198 0.000 1.021 69 V HN 0.748 nan 8.190 nan 0.000 0.426 70 F N 2.894 122.584 119.950 -0.434 0.000 2.411 70 F HA 0.510 5.037 4.527 0.000 0.000 0.355 70 F C 0.313 175.557 175.800 -0.927 0.000 1.117 70 F CA -0.576 56.946 58.000 -0.797 0.000 1.139 70 F CB 1.452 39.919 39.000 -0.888 0.000 1.120 70 F HN 0.143 nan 8.300 nan 0.000 0.493 71 V N 4.460 123.954 119.914 -0.700 0.000 2.350 71 V HA 0.244 4.364 4.120 0.000 0.000 0.276 71 V C -0.331 175.436 176.094 -0.546 0.000 1.028 71 V CA -0.645 61.344 62.300 -0.518 0.000 0.860 71 V CB 0.595 32.243 31.823 -0.291 0.000 0.990 71 V HN 0.777 nan 8.190 nan 0.000 0.453 72 H N 1.573 120.549 119.070 -0.156 0.000 2.651 72 H HA 0.318 4.874 4.556 0.000 0.000 0.241 72 H C 0.688 176.025 175.328 0.016 0.000 1.225 72 H CA -0.198 55.785 56.048 -0.107 0.000 0.942 72 H CB 0.807 30.402 29.762 -0.278 0.000 1.996 72 H HN 0.704 nan 8.280 nan 0.000 0.600 73 S N -0.623 115.163 115.700 0.144 0.000 2.745 73 S HA 0.403 4.873 4.470 0.000 0.000 0.292 73 S C 0.437 174.993 174.600 -0.073 0.000 1.127 73 S CA -0.974 57.241 58.200 0.026 0.000 1.007 73 S CB 1.396 64.585 63.200 -0.017 0.000 1.165 73 S HN 0.175 nan 8.310 nan 0.000 0.544 74 S N 1.070 116.697 115.700 -0.122 0.000 2.571 74 S HA 0.018 4.488 4.470 0.000 0.000 0.298 74 S C 1.326 175.641 174.600 -0.475 0.000 1.280 74 S CA 0.103 58.196 58.200 -0.179 0.000 1.052 74 S CB 0.030 63.173 63.200 -0.095 0.000 0.799 74 S HN 0.750 nan 8.310 nan 0.000 0.501 75 T N 3.138 117.448 114.554 -0.407 0.000 2.833 75 T HA -0.139 4.211 4.350 0.000 0.000 0.269 75 T C 2.080 176.646 174.700 -0.223 0.000 1.054 75 T CA 1.245 63.038 62.100 -0.511 0.000 1.135 75 T CB -0.324 68.460 68.868 -0.140 0.000 0.869 75 T HN 0.743 nan 8.240 nan 0.000 0.466 76 A N 1.719 124.489 122.820 -0.083 0.000 1.972 76 A HA -0.089 4.231 4.320 0.000 0.000 0.219 76 A C 2.522 180.115 177.584 0.014 0.000 1.169 76 A CA 1.953 53.986 52.037 -0.007 0.000 0.635 76 A CB -0.610 18.386 19.000 -0.007 0.000 0.810 76 A HN 0.611 nan 8.150 nan 0.000 0.446 77 S N -1.711 113.971 115.700 -0.029 0.000 2.478 77 S HA -0.077 4.393 4.470 0.000 0.000 0.222 77 S C 1.740 176.420 174.600 0.133 0.000 1.008 77 S CA 0.649 58.879 58.200 0.050 0.000 0.928 77 S CB -0.686 62.533 63.200 0.031 0.000 0.781 77 S HN 0.588 nan 8.310 nan 0.000 0.518 78 H N 1.527 120.639 119.070 0.070 0.000 2.272 78 H HA -0.174 4.382 4.556 0.000 0.000 0.289 78 H C 1.679 177.049 175.328 0.071 0.000 1.100 78 H CA 1.874 57.949 56.048 0.044 0.000 1.209 78 H CB -1.181 28.598 29.762 0.028 0.000 1.348 78 H HN 0.554 nan 8.280 nan 0.000 0.481 79 F N 1.883 121.905 119.950 0.121 0.000 2.043 79 F HA -0.249 4.278 4.527 0.000 0.000 0.297 79 F C 2.203 178.024 175.800 0.034 0.000 1.121 79 F CA 2.002 60.035 58.000 0.055 0.000 1.199 79 F CB -0.205 38.820 39.000 0.041 0.000 0.968 79 F HN 0.086 nan 8.300 nan 0.000 0.478 80 D N 0.034 120.552 120.400 0.196 0.000 2.104 80 D HA -0.172 4.468 4.640 0.000 0.000 0.194 80 D C 2.549 178.824 176.300 -0.041 0.000 0.994 80 D CA 1.869 55.904 54.000 0.060 0.000 0.830 80 D CB -0.747 40.140 40.800 0.144 0.000 0.959 80 D HN 0.259 nan 8.370 nan 0.000 0.452 81 V N 1.215 121.144 119.914 0.027 0.000 2.233 81 V HA -0.240 3.880 4.120 0.000 0.000 0.247 81 V C 2.788 178.832 176.094 -0.083 0.000 1.050 81 V CA 1.321 63.629 62.300 0.014 0.000 1.010 81 V CB -0.701 31.174 31.823 0.088 0.000 0.637 81 V HN 0.041 nan 8.190 nan 0.000 0.444 82 V N -0.282 119.561 119.914 -0.118 0.000 2.332 82 V HA -0.273 3.847 4.120 0.000 0.000 0.248 82 V C 2.689 178.641 176.094 -0.237 0.000 1.055 82 V CA 2.369 64.561 62.300 -0.180 0.000 1.038 82 V CB -0.769 30.941 31.823 -0.189 0.000 0.651 82 V HN 0.624 nan 8.190 nan 0.000 0.450 83 S N -0.817 114.673 115.700 -0.350 0.000 2.368 83 S HA -0.224 4.246 4.470 0.000 0.000 0.225 83 S C 2.078 176.539 174.600 -0.231 0.000 1.030 83 S CA 2.368 60.330 58.200 -0.396 0.000 0.999 83 S CB -0.326 62.489 63.200 -0.642 0.000 0.844 83 S HN 0.690 nan 8.310 nan 0.000 0.459 84 T N 2.695 117.140 114.554 -0.180 0.000 2.668 84 T HA 0.078 4.428 4.350 0.000 0.000 0.262 84 T C 1.765 176.377 174.700 -0.145 0.000 1.045 84 T CA 1.416 63.431 62.100 -0.141 0.000 1.152 84 T CB -0.471 68.323 68.868 -0.122 0.000 0.864 84 T HN 0.302 nan 8.240 nan 0.000 0.419 85 L N 0.700 121.835 121.223 -0.147 0.000 1.990 85 L HA -0.148 4.192 4.340 0.000 0.000 0.213 85 L C 2.598 179.375 176.870 -0.154 0.000 1.072 85 L CA 1.408 56.160 54.840 -0.147 0.000 0.755 85 L CB -0.756 41.217 42.059 -0.144 0.000 0.889 85 L HN 0.267 nan 8.230 nan 0.000 0.432 86 L N -0.236 120.893 121.223 -0.158 0.000 2.043 86 L HA -0.277 4.063 4.340 0.000 0.000 0.212 86 L C 2.346 179.131 176.870 -0.142 0.000 1.075 86 L CA 1.309 56.058 54.840 -0.152 0.000 0.752 86 L CB -0.710 41.263 42.059 -0.145 0.000 0.891 86 L HN 0.428 nan 8.230 nan 0.000 0.432 87 N N 0.135 118.754 118.700 -0.134 0.000 2.364 87 N HA -0.116 4.624 4.740 0.000 0.000 0.183 87 N C 1.448 176.891 175.510 -0.112 0.000 1.022 87 N CA 1.283 54.265 53.050 -0.113 0.000 0.883 87 N CB -0.105 38.319 38.487 -0.105 0.000 0.965 87 N HN 0.310 nan 8.380 nan 0.000 0.438 88 A N -0.073 122.671 122.820 -0.127 0.000 2.337 88 A HA 0.422 4.742 4.320 0.000 0.000 0.227 88 A C 1.428 178.929 177.584 -0.139 0.000 1.259 88 A CA 0.454 52.416 52.037 -0.125 0.000 0.870 88 A CB -0.418 18.504 19.000 -0.131 0.000 0.927 88 A HN 0.245 nan 8.150 nan 0.000 0.497 89 G N -0.885 107.823 108.800 -0.154 0.000 2.203 89 G HA2 -0.213 3.747 3.960 0.000 0.000 0.263 89 G HA3 -0.213 3.747 3.960 0.000 0.000 0.263 89 G C 0.169 174.896 174.900 -0.287 0.000 1.012 89 G CA 0.425 45.408 45.100 -0.195 0.000 0.749 89 G HN 0.811 nan 8.290 nan 0.000 0.512 90 V N 1.612 121.372 119.914 -0.257 0.000 2.567 90 V HA 0.412 4.532 4.120 0.000 0.000 0.289 90 V C 0.767 176.682 176.094 -0.298 0.000 1.049 90 V CA -1.226 60.911 62.300 -0.271 0.000 0.969 90 V CB 1.375 33.097 31.823 -0.169 0.000 0.995 90 V HN 0.343 nan 8.190 nan 0.000 0.471 91 H N 2.357 121.383 119.070 -0.073 0.000 2.683 91 H HA 0.531 5.087 4.556 0.000 0.000 0.339 91 H C -0.445 174.909 175.328 0.044 0.000 1.081 91 H CA -0.057 55.980 56.048 -0.019 0.000 1.432 91 H CB 1.659 31.372 29.762 -0.082 0.000 1.462 91 H HN 0.393 nan 8.280 nan 0.000 0.557 92 V N 1.824 121.825 119.914 0.144 0.000 2.962 92 V HA 0.218 4.338 4.120 0.000 0.000 0.313 92 V C -0.221 175.658 176.094 -0.359 0.000 1.099 92 V CA -0.791 61.434 62.300 -0.124 0.000 0.971 92 V CB 2.555 34.273 31.823 -0.176 0.000 1.028 92 V HN 0.889 nan 8.190 nan 0.000 0.430 93 C N 4.415 123.278 119.300 -0.728 0.000 2.455 93 C HA 0.716 5.176 4.460 0.000 0.000 0.321 93 C C -0.339 174.351 174.990 -0.500 0.000 1.102 93 C CA -0.330 58.225 59.018 -0.771 0.000 1.413 93 C CB -0.447 26.482 27.740 -1.351 0.000 1.952 93 C HN 0.728 nan 8.230 nan 0.000 0.428 94 V N 4.301 123.971 119.914 -0.408 0.000 2.567 94 V HA 0.397 4.517 4.120 0.000 0.000 0.289 94 V C 0.299 176.135 176.094 -0.430 0.000 1.049 94 V CA -0.292 61.732 62.300 -0.460 0.000 0.969 94 V CB 1.014 32.545 31.823 -0.486 0.000 0.995 94 V HN 0.702 nan 8.190 nan 0.000 0.471 95 D N 2.672 122.808 120.400 -0.439 0.000 2.424 95 D HA 0.100 4.740 4.640 0.000 0.000 0.244 95 D C 1.107 177.255 176.300 -0.254 0.000 1.134 95 D CA 0.185 54.075 54.000 -0.185 0.000 0.881 95 D CB 0.764 41.616 40.800 0.086 0.000 1.191 95 D HN 0.741 nan 8.370 nan 0.000 0.445 96 K N 2.056 122.319 120.400 -0.230 0.000 2.316 96 K HA -0.248 4.072 4.320 0.000 0.000 0.197 96 K C -1.696 174.766 176.600 -0.230 0.000 0.736 96 K CA 1.511 57.613 56.287 -0.309 0.000 1.105 96 K CB -1.557 30.799 32.500 -0.240 0.000 1.063 96 K HN 0.371 nan 8.250 nan 0.000 0.624 97 P HA 0.057 nan 4.420 nan 0.000 0.276 97 P C 0.543 177.854 177.300 0.017 0.000 1.264 97 P CA 0.293 63.393 63.100 0.001 0.000 0.769 97 P CB 0.731 32.455 31.700 0.039 0.000 0.840 98 L N 2.544 123.748 121.223 -0.031 0.000 2.017 98 L HA -0.019 4.322 4.340 0.000 0.000 0.208 98 L C 0.770 177.702 176.870 0.102 0.000 1.073 98 L CA 1.615 56.439 54.840 -0.027 0.000 0.745 98 L CB -0.113 41.945 42.059 -0.001 0.000 0.894 98 L HN 0.429 nan 8.230 nan 0.000 0.432 99 A N -1.095 121.806 122.820 0.134 0.000 2.589 99 A HA 0.290 4.610 4.320 0.000 0.000 0.296 99 A C -0.170 177.472 177.584 0.096 0.000 1.062 99 A CA -0.601 51.547 52.037 0.184 0.000 0.686 99 A CB 0.725 19.877 19.000 0.253 0.000 1.282 99 A HN 0.285 nan 8.150 nan 0.000 0.404 100 E N 1.236 121.486 120.200 0.083 0.000 2.330 100 E HA 0.123 4.473 4.350 0.000 0.000 0.210 100 E C -0.063 176.601 176.600 0.106 0.000 1.256 100 E CA 0.146 56.603 56.400 0.095 0.000 1.346 100 E CB -0.250 29.527 29.700 0.128 0.000 1.308 100 E HN 0.524 nan 8.360 nan 0.000 0.441 101 N N 1.116 119.846 118.700 0.051 0.000 2.718 101 N HA -0.049 4.691 4.740 0.000 0.000 0.260 101 N C 0.152 175.676 175.510 0.024 0.000 1.089 101 N CA -0.506 52.562 53.050 0.030 0.000 1.021 101 N CB 1.348 39.795 38.487 -0.068 0.000 1.618 101 N HN 0.039 nan 8.380 nan 0.000 0.554 102 L N 3.576 124.824 121.223 0.043 0.000 1.990 102 L HA -0.159 4.181 4.340 0.000 0.000 0.213 102 L C 2.067 178.962 176.870 0.041 0.000 1.072 102 L CA 2.165 57.031 54.840 0.043 0.000 0.755 102 L CB -0.789 41.301 42.059 0.052 0.000 0.889 102 L HN 0.689 nan 8.230 nan 0.000 0.432 103 R N 0.366 120.882 120.500 0.027 0.000 2.082 103 R HA -0.173 4.167 4.340 0.000 0.000 0.234 103 R C 1.897 178.220 176.300 0.037 0.000 1.136 103 R CA 1.588 57.703 56.100 0.026 0.000 0.935 103 R CB -1.151 29.152 30.300 0.006 0.000 0.842 103 R HN 0.357 nan 8.270 nan 0.000 0.430 104 D N 0.088 120.475 120.400 -0.023 0.000 2.172 104 D HA -0.190 4.450 4.640 0.000 0.000 0.196 104 D C 1.678 178.128 176.300 0.251 0.000 0.999 104 D CA 1.804 55.794 54.000 -0.016 0.000 0.856 104 D CB -0.303 40.242 40.800 -0.424 0.000 0.934 104 D HN 0.353 nan 8.370 nan 0.000 0.453 105 A N 0.747 123.658 122.820 0.151 0.000 1.872 105 A HA -0.152 4.168 4.320 0.000 0.000 0.214 105 A C 1.967 179.619 177.584 0.114 0.000 1.187 105 A CA 1.208 53.333 52.037 0.147 0.000 0.614 105 A CB -0.428 18.628 19.000 0.093 0.000 0.826 105 A HN 0.234 nan 8.150 nan 0.000 0.442 106 E N -0.277 119.978 120.200 0.092 0.000 2.265 106 E HA -0.177 4.173 4.350 0.000 0.000 0.196 106 E C 2.106 178.754 176.600 0.080 0.000 0.996 106 E CA 0.864 57.308 56.400 0.073 0.000 0.832 106 E CB -0.159 29.577 29.700 0.060 0.000 0.756 106 E HN 0.554 nan 8.360 nan 0.000 0.491 107 R N 0.355 120.925 120.500 0.118 0.000 2.080 107 R HA 0.044 4.384 4.340 0.000 0.000 0.222 107 R C 2.413 178.768 176.300 0.092 0.000 1.107 107 R CA 0.529 56.703 56.100 0.123 0.000 0.980 107 R CB -0.105 30.310 30.300 0.192 0.000 0.879 107 R HN 0.120 nan 8.270 nan 0.000 0.439 108 L N 0.315 121.600 121.223 0.103 0.000 2.141 108 L HA -0.133 4.207 4.340 0.000 0.000 0.209 108 L C 2.185 179.056 176.870 0.001 0.000 1.094 108 L CA 0.796 55.635 54.840 -0.002 0.000 0.763 108 L CB -0.249 41.791 42.059 -0.032 0.000 0.908 108 L HN 0.028 nan 8.230 nan 0.000 0.437 109 V N -0.318 119.614 119.914 0.030 0.000 2.626 109 V HA -0.228 3.892 4.120 0.000 0.000 0.252 109 V C 2.268 178.375 176.094 0.023 0.000 1.067 109 V CA 1.546 63.862 62.300 0.027 0.000 1.081 109 V CB -0.375 31.472 31.823 0.040 0.000 0.686 109 V HN 0.468 nan 8.190 nan 0.000 0.468 110 E N -0.263 119.953 120.200 0.026 0.000 2.021 110 E HA -0.162 4.188 4.350 0.000 0.000 0.189 110 E C 2.140 178.744 176.600 0.006 0.000 0.980 110 E CA 1.027 57.440 56.400 0.021 0.000 0.803 110 E CB -0.246 29.471 29.700 0.028 0.000 0.766 110 E HN 0.380 nan 8.360 nan 0.000 0.449 111 L N 1.676 122.897 121.223 -0.003 0.000 1.997 111 L HA -0.263 4.077 4.340 0.000 0.000 0.216 111 L C 2.294 179.146 176.870 -0.031 0.000 1.074 111 L CA 2.389 57.214 54.840 -0.025 0.000 0.763 111 L CB -0.839 41.188 42.059 -0.053 0.000 0.890 111 L HN 0.091 nan 8.230 nan 0.000 0.434 112 A N -0.757 122.045 122.820 -0.031 0.000 1.917 112 A HA -0.209 4.111 4.320 0.000 0.000 0.219 112 A C 2.423 180.004 177.584 -0.004 0.000 1.182 112 A CA 2.567 54.591 52.037 -0.023 0.000 0.633 112 A CB -1.293 17.701 19.000 -0.011 0.000 0.819 112 A HN 0.674 nan 8.150 nan 0.000 0.448 113 A N -0.680 122.143 122.820 0.004 0.000 1.854 113 A HA -0.085 4.235 4.320 0.000 0.000 0.214 113 A C 2.193 179.779 177.584 0.003 0.000 1.192 113 A CA 1.484 53.527 52.037 0.011 0.000 0.611 113 A CB -0.508 18.502 19.000 0.016 0.000 0.832 113 A HN 0.519 nan 8.150 nan 0.000 0.442 114 R N -0.110 120.389 120.500 -0.002 0.000 2.316 114 R HA -0.088 4.252 4.340 0.000 0.000 0.232 114 R C 0.380 176.670 176.300 -0.015 0.000 1.137 114 R CA 1.383 57.479 56.100 -0.006 0.000 1.012 114 R CB -0.117 30.180 30.300 -0.006 0.000 0.859 114 R HN 0.387 nan 8.270 nan 0.000 0.474 115 K N -0.086 120.301 120.400 -0.022 0.000 2.646 115 K HA 0.080 4.400 4.320 0.000 0.000 0.206 115 K C -0.471 176.111 176.600 -0.031 0.000 1.069 115 K CA -0.280 55.986 56.287 -0.035 0.000 1.067 115 K CB 0.915 33.380 32.500 -0.057 0.000 0.807 115 K HN -0.025 nan 8.250 nan 0.000 0.482 116 K N 1.387 121.782 120.400 -0.008 0.000 3.010 116 K HA -0.195 4.125 4.320 0.000 0.000 0.255 116 K C -0.654 175.972 176.600 0.044 0.000 0.929 116 K CA 0.476 56.771 56.287 0.012 0.000 0.687 116 K CB -0.991 31.514 32.500 0.007 0.000 1.304 116 K HN 0.285 nan 8.250 nan 0.000 0.479 117 L N -0.233 121.010 121.223 0.033 0.000 2.313 117 L HA 0.428 4.768 4.340 0.000 0.000 0.268 117 L C 0.598 177.563 176.870 0.159 0.000 1.010 117 L CA -0.873 54.016 54.840 0.082 0.000 0.814 117 L CB 1.937 43.944 42.059 -0.087 0.000 1.304 117 L HN 0.119 nan 8.230 nan 0.000 0.441 118 T N 0.492 115.250 114.554 0.340 0.000 2.758 118 T HA 0.508 4.858 4.350 0.000 0.000 0.285 118 T C -0.605 174.205 174.700 0.183 0.000 0.981 118 T CA -0.594 61.610 62.100 0.174 0.000 0.965 118 T CB 1.333 70.214 68.868 0.021 0.000 0.927 118 T HN 0.258 nan 8.240 nan 0.000 0.448 119 L N 5.765 127.049 121.223 0.101 0.000 2.372 119 L HA 0.634 4.974 4.340 0.000 0.000 0.273 119 L C -0.733 176.160 176.870 0.037 0.000 0.989 119 L CA -0.933 53.934 54.840 0.046 0.000 0.841 119 L CB 1.327 43.383 42.059 -0.005 0.000 1.225 119 L HN 1.045 nan 8.230 nan 0.000 0.414 120 M N 4.290 123.896 119.600 0.011 0.000 2.518 120 M HA 0.661 5.141 4.480 0.000 0.000 0.300 120 M C -1.388 174.839 176.300 -0.122 0.000 1.175 120 M CA -0.779 54.526 55.300 0.008 0.000 0.890 120 M CB 2.112 34.783 32.600 0.118 0.000 1.710 120 M HN 0.106 nan 8.290 nan 0.000 0.453 121 V N 1.646 121.467 119.914 -0.155 0.000 2.686 121 V HA 0.523 4.643 4.120 0.000 0.000 0.295 121 V C 0.929 176.813 176.094 -0.350 0.000 1.057 121 V CA -0.263 61.814 62.300 -0.370 0.000 1.012 121 V CB 1.374 32.802 31.823 -0.658 0.000 1.006 121 V HN 1.038 nan 8.190 nan 0.000 0.477 122 G N 2.991 111.598 108.800 -0.323 0.000 3.064 122 G HA2 0.287 4.247 3.960 0.000 0.000 0.286 122 G HA3 0.287 4.247 3.960 0.000 0.000 0.286 122 G C -0.162 174.739 174.900 0.003 0.000 0.834 122 G CA -0.256 44.809 45.100 -0.058 0.000 1.856 122 G HN 0.628 nan 8.290 nan 0.000 0.559 123 F N 2.496 122.559 119.950 0.188 0.000 2.640 123 F HA 0.040 4.567 4.527 0.000 0.000 0.354 123 F C 1.992 177.898 175.800 0.177 0.000 1.213 123 F CA -0.993 57.102 58.000 0.158 0.000 1.314 123 F CB 0.312 39.335 39.000 0.038 0.000 1.679 123 F HN 0.515 nan 8.300 nan 0.000 0.622 124 N N 1.579 120.444 118.700 0.275 0.000 2.182 124 N HA -0.297 4.443 4.740 0.000 0.000 0.192 124 N C 1.561 177.074 175.510 0.005 0.000 1.007 124 N CA 1.490 54.559 53.050 0.031 0.000 0.873 124 N CB -0.326 37.859 38.487 -0.505 0.000 0.998 124 N HN 0.464 nan 8.380 nan 0.000 0.436 125 R N 0.477 120.972 120.500 -0.008 0.000 2.120 125 R HA 0.067 4.407 4.340 0.000 0.000 0.234 125 R C 1.973 178.211 176.300 -0.105 0.000 1.123 125 R CA 0.911 56.999 56.100 -0.020 0.000 0.975 125 R CB -0.228 30.082 30.300 0.017 0.000 0.866 125 R HN 0.384 nan 8.270 nan 0.000 0.446 126 R N -0.116 120.107 120.500 -0.462 0.000 2.346 126 R HA -0.032 4.308 4.340 0.000 0.000 0.199 126 R C 0.339 175.926 176.300 -1.188 0.000 1.015 126 R CA 0.646 55.888 56.100 -1.429 0.000 1.058 126 R CB 0.148 29.370 30.300 -1.796 0.000 0.921 126 R HN 0.208 nan 8.270 nan 0.000 0.475 127 F N -0.638 119.168 119.950 -0.240 0.000 2.781 127 F HA 0.335 4.862 4.527 0.000 0.000 0.322 127 F C 0.690 176.440 175.800 -0.084 0.000 1.108 127 F CA -0.728 57.197 58.000 -0.124 0.000 1.179 127 F CB 0.491 39.428 39.000 -0.104 0.000 1.072 127 F HN -0.157 nan 8.300 nan 0.000 0.545 128 A N 2.696 125.522 122.820 0.010 0.000 2.409 128 A HA 0.325 4.645 4.320 0.000 0.000 0.267 128 A C -1.106 176.474 177.584 -0.006 0.000 1.127 128 A CA -1.090 50.898 52.037 -0.082 0.000 0.795 128 A CB 0.055 18.878 19.000 -0.295 0.000 1.061 128 A HN 0.051 nan 8.150 nan 0.000 0.502 129 P HA -0.229 nan 4.420 nan 0.000 0.216 129 P C 1.413 178.732 177.300 0.031 0.000 1.157 129 P CA 1.335 64.442 63.100 0.011 0.000 0.880 129 P CB 0.067 31.758 31.700 -0.016 0.000 0.791 130 L N -2.314 118.916 121.223 0.011 0.000 2.141 130 L HA -0.121 4.219 4.340 0.000 0.000 0.209 130 L C 2.988 180.066 176.870 0.346 0.000 1.094 130 L CA 1.364 56.298 54.840 0.156 0.000 0.763 130 L CB -0.875 41.282 42.059 0.164 0.000 0.908 130 L HN -0.041 nan 8.230 nan 0.000 0.437 131 Y N -0.415 119.987 120.300 0.170 0.000 2.314 131 Y HA -0.113 4.437 4.550 0.000 0.000 0.293 131 Y C 2.554 178.557 175.900 0.171 0.000 1.129 131 Y CA 0.273 58.480 58.100 0.179 0.000 1.201 131 Y CB -0.163 38.445 38.460 0.247 0.000 0.999 131 Y HN 0.210 nan 8.280 nan 0.000 0.541 132 G N -0.094 108.925 108.800 0.365 0.000 2.403 132 G HA2 -0.240 3.720 3.960 0.000 0.000 0.216 132 G HA3 -0.240 3.720 3.960 0.000 0.000 0.216 132 G C 1.341 176.316 174.900 0.126 0.000 1.154 132 G CA 0.689 45.943 45.100 0.255 0.000 0.784 132 G HN 0.400 nan 8.290 nan 0.000 0.538 133 E N -0.204 120.078 120.200 0.137 0.000 2.106 133 E HA -0.101 4.249 4.350 0.000 0.000 0.192 133 E C 2.328 179.053 176.600 0.209 0.000 0.984 133 E CA 0.678 57.130 56.400 0.087 0.000 0.806 133 E CB -0.142 29.519 29.700 -0.066 0.000 0.750 133 E HN 0.322 nan 8.360 nan 0.000 0.458 134 L N 1.666 123.085 121.223 0.327 0.000 2.056 134 L HA -0.123 4.217 4.340 0.000 0.000 0.207 134 L C 2.328 179.209 176.870 0.019 0.000 1.078 134 L CA 1.851 56.839 54.840 0.247 0.000 0.749 134 L CB -0.410 41.738 42.059 0.149 0.000 0.901 134 L HN -0.028 nan 8.230 nan 0.000 0.433 135 K N -1.019 119.320 120.400 -0.102 0.000 2.286 135 K HA -0.162 4.158 4.320 0.000 0.000 0.203 135 K C 1.235 177.743 176.600 -0.154 0.000 1.045 135 K CA 1.632 57.760 56.287 -0.266 0.000 0.935 135 K CB -0.188 32.011 32.500 -0.502 0.000 0.737 135 K HN 0.632 nan 8.250 nan 0.000 0.460 136 T N -1.901 112.619 114.554 -0.058 0.000 3.235 136 T HA 0.140 4.490 4.350 0.000 0.000 0.251 136 T C 1.013 175.708 174.700 -0.007 0.000 1.060 136 T CA -0.189 61.892 62.100 -0.032 0.000 0.949 136 T CB 0.484 69.349 68.868 -0.006 0.000 1.020 136 T HN 0.132 nan 8.240 nan 0.000 0.564 137 Q N -0.042 119.754 119.800 -0.006 0.000 2.179 137 Q HA 0.341 4.681 4.340 0.000 0.000 0.244 137 Q C 1.224 177.209 176.000 -0.026 0.000 0.808 137 Q CA 0.033 55.845 55.803 0.015 0.000 0.955 137 Q CB 0.603 29.392 28.738 0.085 0.000 1.141 137 Q HN 0.520 nan 8.270 nan 0.000 0.485 138 L N 1.112 122.295 121.223 -0.067 0.000 2.718 138 L HA 0.210 4.550 4.340 0.000 0.000 0.242 138 L C 1.856 178.680 176.870 -0.077 0.000 1.203 138 L CA -0.015 54.773 54.840 -0.087 0.000 1.011 138 L CB -0.459 41.518 42.059 -0.136 0.000 1.250 138 L HN 0.066 nan 8.230 nan 0.000 0.437 139 A N 0.443 123.229 122.820 -0.056 0.000 1.902 139 A HA -0.156 4.164 4.320 0.000 0.000 0.217 139 A C 1.972 179.532 177.584 -0.041 0.000 1.181 139 A CA 2.146 54.154 52.037 -0.048 0.000 0.623 139 A CB -0.479 18.502 19.000 -0.033 0.000 0.818 139 A HN 0.473 nan 8.150 nan 0.000 0.443 140 T N -2.402 112.131 114.554 -0.035 0.000 3.269 140 T HA 0.646 4.996 4.350 0.000 0.000 0.269 140 T C 0.306 174.985 174.700 -0.034 0.000 0.993 140 T CA 0.152 62.234 62.100 -0.030 0.000 0.909 140 T CB -0.144 68.711 68.868 -0.021 0.000 1.115 140 T HN 0.587 nan 8.240 nan 0.000 0.543 141 A N 0.619 123.411 122.820 -0.046 0.000 2.477 141 A HA 0.742 5.062 4.320 0.000 0.000 0.246 141 A C 1.417 178.977 177.584 -0.041 0.000 1.078 141 A CA -0.022 51.984 52.037 -0.052 0.000 0.770 141 A CB 0.103 19.059 19.000 -0.073 0.000 1.011 141 A HN 0.705 nan 8.150 nan 0.000 0.494 142 A N 1.573 124.372 122.820 -0.035 0.000 2.070 142 A HA 0.533 4.853 4.320 0.000 0.000 0.202 142 A C 1.012 178.585 177.584 -0.019 0.000 1.277 142 A CA 0.991 53.014 52.037 -0.024 0.000 0.872 142 A CB 0.074 19.062 19.000 -0.019 0.000 0.933 142 A HN 1.055 nan 8.150 nan 0.000 0.475 143 S N -0.005 115.679 115.700 -0.026 0.000 2.547 143 S HA 0.630 5.100 4.470 0.000 0.000 0.281 143 S C -1.877 172.704 174.600 -0.033 0.000 1.118 143 S CA -0.368 57.823 58.200 -0.015 0.000 0.947 143 S CB 1.320 64.515 63.200 -0.008 0.000 1.053 143 S HN 0.389 nan 8.310 nan 0.000 0.482 144 L N 5.434 126.643 121.223 -0.025 0.000 2.441 144 L HA 0.626 4.966 4.340 0.000 0.000 0.270 144 L C -1.038 175.815 176.870 -0.029 0.000 0.973 144 L CA -0.278 54.528 54.840 -0.057 0.000 0.842 144 L CB 1.487 43.489 42.059 -0.095 0.000 1.239 144 L HN 0.905 nan 8.230 nan 0.000 0.406 145 R N 5.855 126.335 120.500 -0.033 0.000 2.532 145 R HA 0.592 4.932 4.340 0.000 0.000 0.297 145 R C -1.625 174.655 176.300 -0.033 0.000 0.984 145 R CA -0.645 55.455 56.100 0.001 0.000 0.884 145 R CB 2.106 32.432 30.300 0.044 0.000 1.182 145 R HN 0.804 nan 8.270 nan 0.000 0.442 146 M N 3.728 123.303 119.600 -0.041 0.000 2.383 146 M HA 0.387 4.867 4.480 0.000 0.000 0.325 146 M C -1.736 174.538 176.300 -0.043 0.000 1.092 146 M CA -0.322 54.934 55.300 -0.074 0.000 0.961 146 M CB 1.952 34.465 32.600 -0.145 0.000 1.672 146 M HN 0.569 nan 8.290 nan 0.000 0.438 147 D N 3.077 123.436 120.400 -0.069 0.000 2.481 147 D HA 0.531 5.171 4.640 0.000 0.000 0.244 147 D C -1.506 174.605 176.300 -0.313 0.000 1.057 147 D CA -0.403 53.491 54.000 -0.177 0.000 0.848 147 D CB 1.782 42.527 40.800 -0.090 0.000 1.388 147 D HN 0.419 nan 8.370 nan 0.000 0.475 148 K N 1.811 121.924 120.400 -0.479 0.000 2.716 148 K HA 0.296 4.616 4.320 0.000 0.000 0.249 148 K C -1.691 174.734 176.600 -0.290 0.000 1.004 148 K CA -0.585 55.534 56.287 -0.279 0.000 0.968 148 K CB 0.285 32.743 32.500 -0.071 0.000 1.214 148 K HN 0.431 nan 8.250 nan 0.000 0.476 149 H N 1.888 121.033 119.070 0.125 0.000 2.670 149 H HA 0.555 5.111 4.556 0.000 0.000 0.361 149 H C -0.581 174.823 175.328 0.126 0.000 1.169 149 H CA -0.946 55.192 56.048 0.149 0.000 1.198 149 H CB 1.861 31.709 29.762 0.143 0.000 1.700 149 H HN 0.351 nan 8.280 nan 0.000 0.542 150 R N -0.352 120.315 120.500 0.278 0.000 2.664 150 R HA 0.223 4.563 4.340 0.000 0.000 0.286 150 R C 1.177 177.579 176.300 0.170 0.000 0.967 150 R CA -0.367 55.847 56.100 0.190 0.000 0.933 150 R CB 1.633 32.035 30.300 0.171 0.000 1.146 150 R HN 0.601 nan 8.270 nan 0.000 0.468 151 S N 1.474 117.248 115.700 0.123 0.000 2.348 151 S HA -0.049 4.421 4.470 0.000 0.000 0.221 151 S C 0.369 175.024 174.600 0.093 0.000 1.033 151 S CA 1.374 59.629 58.200 0.092 0.000 1.010 151 S CB -0.076 63.165 63.200 0.069 0.000 0.891 151 S HN 0.586 nan 8.310 nan 0.000 0.442 152 N N 0.248 119.006 118.700 0.097 0.000 2.946 152 N HA 0.139 4.879 4.740 0.000 0.000 0.213 152 N C -1.790 173.777 175.510 0.096 0.000 1.440 152 N CA 0.037 53.144 53.050 0.095 0.000 0.745 152 N CB 1.037 39.566 38.487 0.070 0.000 1.471 152 N HN 0.100 nan 8.380 nan 0.000 0.569 153 S N 2.221 117.990 115.700 0.115 0.000 2.204 153 S HA 0.149 4.619 4.470 0.000 0.000 0.147 153 S C -0.070 174.601 174.600 0.119 0.000 1.711 153 S CA -0.322 57.945 58.200 0.112 0.000 1.274 153 S CB 0.077 63.350 63.200 0.121 0.000 1.257 153 S HN 0.195 nan 8.310 nan 0.000 0.404 154 V N 4.119 124.095 119.914 0.102 0.000 3.111 154 V HA 0.377 4.497 4.120 0.000 0.000 0.381 154 V C 1.192 177.344 176.094 0.097 0.000 1.387 154 V CA 0.500 62.858 62.300 0.096 0.000 1.550 154 V CB -1.433 30.437 31.823 0.079 0.000 1.305 154 V HN 0.887 nan 8.190 nan 0.000 0.494 155 G N 4.128 113.003 108.800 0.125 0.000 2.942 155 G HA2 -0.171 3.789 3.960 0.000 0.000 0.290 155 G HA3 -0.171 3.789 3.960 0.000 0.000 0.290 155 G C -1.232 173.722 174.900 0.090 0.000 0.295 155 G CA 0.011 45.199 45.100 0.148 0.000 1.201 155 G HN 0.565 nan 8.290 nan 0.000 0.204 156 P HA -0.069 nan 4.420 nan 0.000 0.225 156 P C 0.752 177.923 177.300 -0.215 0.000 1.148 156 P CA 0.856 63.872 63.100 -0.140 0.000 0.779 156 P CB 0.139 31.695 31.700 -0.241 0.000 0.780 157 H N -0.136 118.924 119.070 -0.016 0.000 2.546 157 H HA 0.083 4.639 4.556 0.000 0.000 0.365 157 H C 0.587 175.979 175.328 0.107 0.000 1.220 157 H CA -0.237 55.790 56.048 -0.035 0.000 1.386 157 H CB 0.428 30.050 29.762 -0.233 0.000 1.510 157 H HN 0.124 nan 8.280 nan 0.000 0.591 158 D N 0.072 120.637 120.400 0.275 0.000 2.414 158 D HA -0.068 4.572 4.640 0.000 0.000 0.259 158 D C 1.514 177.991 176.300 0.296 0.000 1.269 158 D CA -0.603 53.547 54.000 0.250 0.000 1.028 158 D CB 0.621 41.563 40.800 0.236 0.000 1.093 158 D HN 0.381 nan 8.370 nan 0.000 0.545 159 L N -0.786 120.607 121.223 0.283 0.000 2.012 159 L HA -0.242 4.098 4.340 0.000 0.000 0.210 159 L C 2.399 179.404 176.870 0.226 0.000 1.073 159 L CA 1.535 56.536 54.840 0.270 0.000 0.748 159 L CB -0.446 41.819 42.059 0.344 0.000 0.891 159 L HN 0.494 nan 8.230 nan 0.000 0.431 160 Y N -0.197 120.149 120.300 0.077 0.000 2.069 160 Y HA -0.416 4.134 4.550 0.000 0.000 0.278 160 Y C 2.406 178.221 175.900 -0.142 0.000 1.175 160 Y CA 2.433 60.346 58.100 -0.312 0.000 1.134 160 Y CB -0.667 37.485 38.460 -0.513 0.000 0.965 160 Y HN 0.224 nan 8.280 nan 0.000 0.498 161 F N 0.791 120.794 119.950 0.089 0.000 2.043 161 F HA -0.291 4.236 4.527 0.000 0.000 0.297 161 F C 2.386 178.145 175.800 -0.069 0.000 1.121 161 F CA 2.652 60.648 58.000 -0.007 0.000 1.199 161 F CB -1.050 37.951 39.000 0.002 0.000 0.968 161 F HN 0.016 nan 8.300 nan 0.000 0.478 162 T N 1.539 116.104 114.554 0.019 0.000 2.897 162 T HA -0.158 4.192 4.350 0.000 0.000 0.271 162 T C 2.156 176.789 174.700 -0.112 0.000 1.084 162 T CA 1.408 63.478 62.100 -0.050 0.000 1.123 162 T CB -0.430 68.506 68.868 0.113 0.000 0.865 162 T HN 0.267 nan 8.240 nan 0.000 0.496 163 L N -0.013 121.123 121.223 -0.145 0.000 2.072 163 L HA 0.099 4.439 4.340 0.000 0.000 0.205 163 L C 2.220 178.987 176.870 -0.172 0.000 1.079 163 L CA 1.098 55.871 54.840 -0.111 0.000 0.752 163 L CB -0.328 41.633 42.059 -0.164 0.000 0.906 163 L HN 0.269 nan 8.230 nan 0.000 0.436 164 L N -1.036 119.973 121.223 -0.356 0.000 2.509 164 L HA -0.074 4.266 4.340 0.000 0.000 0.222 164 L C 1.406 178.075 176.870 -0.335 0.000 1.123 164 L CA 0.499 55.136 54.840 -0.337 0.000 0.856 164 L CB -0.152 41.657 42.059 -0.416 0.000 0.985 164 L HN 0.200 nan 8.230 nan 0.000 0.456 165 D N -1.229 118.906 120.400 -0.443 0.000 2.366 165 D HA -0.072 4.568 4.640 0.000 0.000 0.205 165 D C 1.432 177.602 176.300 -0.217 0.000 1.022 165 D CA 0.586 54.316 54.000 -0.449 0.000 0.868 165 D CB 0.671 40.947 40.800 -0.874 0.000 0.953 165 D HN 0.110 nan 8.370 nan 0.000 0.514 166 D N -1.740 118.596 120.400 -0.107 0.000 2.618 166 D HA -0.068 4.572 4.640 0.000 0.000 0.278 166 D C 0.968 177.344 176.300 0.127 0.000 1.203 166 D CA -0.100 53.926 54.000 0.043 0.000 1.073 166 D CB -0.132 40.718 40.800 0.082 0.000 1.632 166 D HN 0.037 nan 8.370 nan 0.000 0.473 167 Y N 2.293 122.571 120.300 -0.036 0.000 2.256 167 Y HA -0.131 4.419 4.550 0.000 0.000 0.288 167 Y C 2.197 178.086 175.900 -0.018 0.000 1.155 167 Y CA 0.914 59.002 58.100 -0.020 0.000 1.203 167 Y CB -0.247 38.193 38.460 -0.033 0.000 0.980 167 Y HN -0.018 nan 8.280 nan 0.000 0.530 168 L N -0.443 120.770 121.223 -0.016 0.000 2.079 168 L HA -0.270 4.070 4.340 0.000 0.000 0.210 168 L C 2.275 179.116 176.870 -0.048 0.000 1.081 168 L CA 2.080 56.875 54.840 -0.074 0.000 0.752 168 L CB -0.868 41.159 42.059 -0.052 0.000 0.896 168 L HN 0.333 nan 8.230 nan 0.000 0.433 169 H N -2.235 116.803 119.070 -0.053 0.000 2.353 169 H HA -0.136 4.420 4.556 0.000 0.000 0.300 169 H C 2.108 177.342 175.328 -0.156 0.000 1.090 169 H CA 1.326 57.348 56.048 -0.043 0.000 1.327 169 H CB 0.241 30.012 29.762 0.015 0.000 1.383 169 H HN 0.270 nan 8.280 nan 0.000 0.508 170 V N -0.124 119.734 119.914 -0.094 0.000 2.323 170 V HA -0.210 3.910 4.120 0.000 0.000 0.244 170 V C 2.403 178.289 176.094 -0.345 0.000 1.041 170 V CA 1.314 63.471 62.300 -0.239 0.000 1.025 170 V CB -0.346 31.291 31.823 -0.311 0.000 0.656 170 V HN 0.255 nan 8.190 nan 0.000 0.451 171 V N 0.962 120.605 119.914 -0.452 0.000 2.343 171 V HA -0.311 3.809 4.120 0.000 0.000 0.247 171 V C 2.322 178.185 176.094 -0.386 0.000 1.051 171 V CA 2.480 64.505 62.300 -0.457 0.000 1.036 171 V CB -0.757 30.826 31.823 -0.399 0.000 0.654 171 V HN 0.719 nan 8.190 nan 0.000 0.451 172 D N 0.115 120.309 120.400 -0.342 0.000 2.078 172 D HA -0.192 4.448 4.640 0.000 0.000 0.193 172 D C 2.138 178.251 176.300 -0.311 0.000 0.990 172 D CA 2.257 55.996 54.000 -0.435 0.000 0.827 172 D CB -0.268 40.088 40.800 -0.740 0.000 0.975 172 D HN 0.375 nan 8.370 nan 0.000 0.451 173 T N -0.133 114.279 114.554 -0.236 0.000 2.684 173 T HA -0.164 4.186 4.350 0.000 0.000 0.267 173 T C 1.989 176.603 174.700 -0.142 0.000 1.036 173 T CA 1.839 63.875 62.100 -0.107 0.000 1.148 173 T CB -0.777 67.988 68.868 -0.172 0.000 0.863 173 T HN 0.336 nan 8.240 nan 0.000 0.436 174 A N 1.405 124.068 122.820 -0.262 0.000 1.883 174 A HA -0.047 4.273 4.320 0.000 0.000 0.217 174 A C 2.340 179.739 177.584 -0.308 0.000 1.186 174 A CA 1.398 53.251 52.037 -0.307 0.000 0.624 174 A CB -0.933 17.847 19.000 -0.367 0.000 0.822 174 A HN 0.492 nan 8.150 nan 0.000 0.444 175 L N -2.534 118.491 121.223 -0.329 0.000 2.141 175 L HA -0.173 4.167 4.340 0.000 0.000 0.209 175 L C 2.522 179.304 176.870 -0.148 0.000 1.094 175 L CA 1.477 56.152 54.840 -0.275 0.000 0.763 175 L CB -0.525 41.364 42.059 -0.282 0.000 0.908 175 L HN 0.813 nan 8.230 nan 0.000 0.437 176 W N 0.975 122.105 121.300 -0.283 0.000 2.418 176 W HA -0.119 4.541 4.660 0.000 0.000 0.292 176 W C 2.057 178.454 176.519 -0.202 0.000 1.213 176 W CA 0.962 58.167 57.345 -0.235 0.000 1.283 176 W CB -0.217 29.085 29.460 -0.264 0.000 1.119 176 W HN -0.058 nan 8.180 nan 0.000 0.542 177 L N 1.043 121.943 121.223 -0.537 0.000 2.156 177 L HA -0.155 4.185 4.340 0.000 0.000 0.208 177 L C 2.643 179.234 176.870 -0.465 0.000 1.095 177 L CA 1.671 56.089 54.840 -0.703 0.000 0.770 177 L CB -0.838 40.924 42.059 -0.495 0.000 0.914 177 L HN 0.128 nan 8.230 nan 0.000 0.439 178 S N -1.343 114.162 115.700 -0.324 0.000 2.558 178 S HA 0.159 4.629 4.470 0.000 0.000 0.217 178 S C 1.418 175.903 174.600 -0.192 0.000 0.975 178 S CA 0.407 58.472 58.200 -0.225 0.000 0.912 178 S CB 0.646 63.742 63.200 -0.173 0.000 0.776 178 S HN 0.502 nan 8.310 nan 0.000 0.526 179 G N 0.460 109.125 108.800 -0.225 0.000 2.168 179 G HA2 0.183 4.143 3.960 0.000 0.000 0.197 179 G HA3 0.183 4.143 3.960 0.000 0.000 0.197 179 G C 0.718 175.564 174.900 -0.090 0.000 0.997 179 G CA -0.169 44.837 45.100 -0.156 0.000 0.658 179 G HN 1.744 nan 8.290 nan 0.000 0.513 180 G N 0.715 109.460 108.800 -0.092 0.000 2.381 180 G HA2 0.169 4.129 3.960 0.000 0.000 0.281 180 G HA3 0.169 4.129 3.960 0.000 0.000 0.281 180 G C 0.329 175.207 174.900 -0.038 0.000 0.984 180 G CA 1.150 46.217 45.100 -0.055 0.000 1.339 180 G HN 2.103 nan 8.290 nan 0.000 0.485 181 K N -0.919 119.456 120.400 -0.041 0.000 3.537 181 K HA 0.553 4.873 4.320 0.000 0.000 0.147 181 K C 0.087 176.691 176.600 0.007 0.000 0.968 181 K CA -0.057 56.223 56.287 -0.012 0.000 0.879 181 K CB -0.394 32.098 32.500 -0.014 0.000 0.691 181 K HN 1.447 nan 8.250 nan 0.000 0.416 182 A N 0.633 123.464 122.820 0.019 0.000 2.288 182 A HA 0.841 5.162 4.320 0.000 0.000 0.328 182 A C -0.553 177.121 177.584 0.150 0.000 1.123 182 A CA -0.607 51.482 52.037 0.086 0.000 0.861 182 A CB 1.440 20.501 19.000 0.101 0.000 1.272 182 A HN 0.263 nan 8.150 nan 0.000 0.490 183 S N -0.424 115.387 115.700 0.185 0.000 2.568 183 S HA 0.514 4.984 4.470 0.000 0.000 0.302 183 S C -0.707 173.976 174.600 0.138 0.000 1.082 183 S CA -0.480 57.807 58.200 0.145 0.000 1.009 183 S CB 1.292 64.537 63.200 0.075 0.000 1.069 183 S HN 0.582 nan 8.310 nan 0.000 0.500 184 L N 3.221 124.459 121.223 0.026 0.000 2.302 184 L HA 0.240 4.580 4.340 0.000 0.000 0.285 184 L C 0.031 176.814 176.870 -0.146 0.000 1.090 184 L CA -0.310 54.394 54.840 -0.228 0.000 0.866 184 L CB 0.182 42.146 42.059 -0.158 0.000 1.244 184 L HN 0.720 nan 8.230 nan 0.000 0.435 185 D N 2.952 123.268 120.400 -0.140 0.000 2.123 185 D HA 0.079 4.719 4.640 0.000 0.000 0.200 185 D C 0.929 177.217 176.300 -0.019 0.000 0.976 185 D CA 0.879 54.854 54.000 -0.042 0.000 0.831 185 D CB 0.572 41.371 40.800 -0.001 0.000 0.974 185 D HN 0.634 nan 8.370 nan 0.000 0.469 186 G N -1.706 107.085 108.800 -0.015 0.000 2.561 186 G HA2 0.538 4.498 3.960 0.000 0.000 0.310 186 G HA3 0.538 4.498 3.960 0.000 0.000 0.310 186 G C -0.689 174.249 174.900 0.063 0.000 1.292 186 G CA -0.040 45.091 45.100 0.052 0.000 0.811 186 G HN 0.495 nan 8.290 nan 0.000 0.482 187 G N -2.355 106.476 108.800 0.053 0.000 2.356 187 G HA2 0.606 4.566 3.960 0.000 0.000 0.288 187 G HA3 0.606 4.566 3.960 0.000 0.000 0.288 187 G C -1.010 173.779 174.900 -0.185 0.000 1.302 187 G CA 0.928 45.904 45.100 -0.206 0.000 0.887 187 G HN 1.742 nan 8.290 nan 0.000 0.521 188 T N -1.076 113.228 114.554 -0.417 0.000 2.853 188 T HA 0.704 5.054 4.350 0.000 0.000 0.311 188 T C -1.803 172.804 174.700 -0.155 0.000 1.307 188 T CA -0.484 61.536 62.100 -0.133 0.000 1.019 188 T CB 1.533 70.424 68.868 0.038 0.000 1.264 188 T HN 0.898 nan 8.240 nan 0.000 0.497 189 L N 3.446 124.667 121.223 -0.004 0.000 2.439 189 L HA 0.673 5.013 4.340 0.000 0.000 0.270 189 L C -1.511 175.389 176.870 0.049 0.000 0.972 189 L CA -0.936 53.906 54.840 0.003 0.000 0.836 189 L CB 1.876 43.964 42.059 0.049 0.000 1.255 189 L HN 0.553 nan 8.230 nan 0.000 0.404 190 L N 4.139 125.407 121.223 0.075 0.000 2.333 190 L HA 0.741 5.081 4.340 0.000 0.000 0.280 190 L C -0.131 176.771 176.870 0.052 0.000 1.004 190 L CA 0.193 55.082 54.840 0.082 0.000 0.820 190 L CB 2.011 44.151 42.059 0.135 0.000 1.247 190 L HN 0.632 nan 8.230 nan 0.000 0.416 191 T N 0.856 115.437 114.554 0.046 0.000 2.907 191 T HA 0.598 4.949 4.350 0.000 0.000 0.292 191 T C 0.029 174.753 174.700 0.040 0.000 1.043 191 T CA -0.875 61.254 62.100 0.049 0.000 1.003 191 T CB 1.370 70.278 68.868 0.065 0.000 1.084 191 T HN 0.687 nan 8.240 nan 0.000 0.483 192 N N 1.516 120.240 118.700 0.041 0.000 2.332 192 N HA 0.162 4.902 4.740 0.000 0.000 0.285 192 N C 0.237 175.767 175.510 0.034 0.000 1.292 192 N CA -0.181 52.889 53.050 0.035 0.000 0.947 192 N CB -0.590 37.919 38.487 0.037 0.000 1.084 192 N HN 0.694 nan 8.380 nan 0.000 0.529 193 D N -1.460 118.957 120.400 0.028 0.000 2.277 193 D HA 0.112 4.752 4.640 0.000 0.000 0.208 193 D C 1.042 177.360 176.300 0.029 0.000 0.962 193 D CA 1.106 55.121 54.000 0.025 0.000 0.865 193 D CB -0.165 40.647 40.800 0.019 0.000 0.939 193 D HN 0.643 nan 8.370 nan 0.000 0.510 194 A N 0.058 122.897 122.820 0.033 0.000 2.259 194 A HA 0.438 4.758 4.320 0.000 0.000 0.208 194 A C 1.864 179.479 177.584 0.052 0.000 1.201 194 A CA 0.664 52.722 52.037 0.035 0.000 0.824 194 A CB -0.634 18.384 19.000 0.030 0.000 0.838 194 A HN 0.228 nan 8.150 nan 0.000 0.485 195 G N -0.481 108.354 108.800 0.059 0.000 2.155 195 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 195 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 195 G C -0.110 174.857 174.900 0.110 0.000 0.983 195 G CA 0.544 45.695 45.100 0.085 0.000 0.676 195 G HN 0.662 nan 8.290 nan 0.000 0.528 196 E N -0.238 120.017 120.200 0.091 0.000 2.301 196 E HA 0.484 4.834 4.350 0.000 0.000 0.275 196 E C 0.846 177.502 176.600 0.092 0.000 1.030 196 E CA -0.713 55.749 56.400 0.104 0.000 0.852 196 E CB 0.911 30.661 29.700 0.083 0.000 1.060 196 E HN 0.332 nan 8.360 nan 0.000 0.401 197 M N 4.008 123.669 119.600 0.102 0.000 2.252 197 M HA -0.021 4.459 4.480 0.000 0.000 0.348 197 M C -0.160 176.159 176.300 0.032 0.000 1.334 197 M CA 0.705 56.042 55.300 0.060 0.000 1.071 197 M CB 0.410 33.038 32.600 0.046 0.000 1.763 197 M HN 0.688 nan 8.290 nan 0.000 0.452 198 L N 4.840 126.062 121.223 -0.003 0.000 2.600 198 L HA 0.346 4.686 4.340 0.000 0.000 0.213 198 L C -0.311 176.455 176.870 -0.172 0.000 1.045 198 L CA 0.005 54.808 54.840 -0.062 0.000 0.863 198 L CB 0.688 42.724 42.059 -0.039 0.000 1.189 198 L HN 0.677 nan 8.230 nan 0.000 0.484 199 F N -0.137 119.650 119.950 -0.273 0.000 2.645 199 F HA 0.715 5.242 4.527 0.000 0.000 0.310 199 F C -1.507 174.177 175.800 -0.193 0.000 1.102 199 F CA -0.699 57.128 58.000 -0.288 0.000 0.952 199 F CB 1.720 40.546 39.000 -0.289 0.000 1.326 199 F HN -0.243 nan 8.300 nan 0.000 0.456 200 A N 3.429 125.384 122.820 -1.442 0.000 2.532 200 A HA 0.622 4.942 4.320 0.000 0.000 0.296 200 A C -1.740 175.091 177.584 -1.255 0.000 1.058 200 A CA -0.382 50.959 52.037 -1.161 0.000 0.729 200 A CB 1.470 19.823 19.000 -1.078 0.000 1.285 200 A HN 0.914 nan 8.150 nan 0.000 0.396 201 E N 1.785 121.430 120.200 -0.925 0.000 2.321 201 E HA 0.642 4.992 4.350 0.000 0.000 0.281 201 E C -1.687 174.449 176.600 -0.774 0.000 0.910 201 E CA -0.477 55.627 56.400 -0.494 0.000 0.770 201 E CB 1.358 30.954 29.700 -0.174 0.000 1.225 201 E HN 0.841 nan 8.360 nan 0.000 0.417 202 H N 0.932 119.878 119.070 -0.206 0.000 2.946 202 H HA 0.524 5.080 4.556 0.000 0.000 0.365 202 H C -0.990 173.915 175.328 -0.705 0.000 1.197 202 H CA -0.756 55.048 56.048 -0.407 0.000 1.131 202 H CB 1.436 31.084 29.762 -0.190 0.000 1.849 202 H HN 0.341 nan 8.280 nan 0.000 0.555 203 H N 1.133 120.114 119.070 -0.150 0.000 2.589 203 H HA 0.321 4.877 4.556 0.000 0.000 0.351 203 H C -1.104 174.027 175.328 -0.329 0.000 1.074 203 H CA -0.436 55.557 56.048 -0.091 0.000 1.203 203 H CB 1.030 30.771 29.762 -0.035 0.000 1.558 203 H HN 0.335 nan 8.280 nan 0.000 0.522 204 F N 0.491 120.512 119.950 0.119 0.000 2.579 204 F HA 0.421 4.948 4.527 0.000 0.000 0.324 204 F C 0.591 176.421 175.800 0.049 0.000 1.058 204 F CA -0.886 57.152 58.000 0.063 0.000 0.944 204 F CB 2.117 41.126 39.000 0.015 0.000 1.245 204 F HN 0.321 nan 8.300 nan 0.000 0.477 205 S N 0.944 116.772 115.700 0.213 0.000 2.756 205 S HA 0.749 5.219 4.470 0.000 0.000 0.303 205 S C -0.957 173.696 174.600 0.090 0.000 1.135 205 S CA -0.443 57.828 58.200 0.118 0.000 1.066 205 S CB 0.849 64.093 63.200 0.073 0.000 1.008 205 S HN 0.875 nan 8.310 nan 0.000 0.482 206 A N 4.066 126.920 122.820 0.057 0.000 3.079 206 A HA 0.731 5.051 4.320 0.000 0.000 0.315 206 A C 1.215 178.806 177.584 0.011 0.000 1.334 206 A CA 0.087 52.139 52.037 0.025 0.000 1.048 206 A CB -1.090 17.907 19.000 -0.006 0.000 1.156 206 A HN 2.104 nan 8.150 nan 0.000 0.523 207 G N 2.407 111.217 108.800 0.017 0.000 2.527 207 G HA2 -0.253 3.707 3.960 0.000 0.000 0.262 207 G HA3 -0.253 3.707 3.960 0.000 0.000 0.262 207 G C -0.705 174.200 174.900 0.009 0.000 1.153 207 G CA 0.189 45.294 45.100 0.009 0.000 0.954 207 G HN 0.563 nan 8.290 nan 0.000 0.552 208 P HA 0.211 nan 4.420 nan 0.000 0.219 208 P C 1.257 178.559 177.300 0.003 0.000 1.154 208 P CA 0.838 63.939 63.100 0.001 0.000 0.826 208 P CB 0.007 31.705 31.700 -0.005 0.000 0.795 209 L N 1.975 123.197 121.223 -0.001 0.000 2.559 209 L HA 0.011 4.351 4.340 0.000 0.000 0.274 209 L C 0.012 176.896 176.870 0.022 0.000 1.205 209 L CA 0.792 55.630 54.840 -0.002 0.000 0.907 209 L CB -0.402 41.644 42.059 -0.021 0.000 1.153 209 L HN -0.049 nan 8.230 nan 0.000 0.490 210 Q N 6.112 125.929 119.800 0.029 0.000 2.314 210 Q HA 0.440 4.780 4.340 0.000 0.000 0.259 210 Q C -0.723 175.329 176.000 0.087 0.000 0.951 210 Q CA -0.469 55.373 55.803 0.066 0.000 0.909 210 Q CB 1.939 30.708 28.738 0.051 0.000 1.236 210 Q HN 0.542 nan 8.270 nan 0.000 0.444 211 I N 1.919 122.581 120.570 0.153 0.000 2.460 211 I HA 0.471 4.641 4.170 0.000 0.000 0.298 211 I C 0.151 176.437 176.117 0.282 0.000 0.989 211 I CA -0.461 60.934 61.300 0.158 0.000 1.173 211 I CB 1.717 39.786 38.000 0.116 0.000 1.338 211 I HN 0.353 nan 8.210 nan 0.000 0.456 212 T N 3.111 117.782 114.554 0.195 0.000 2.928 212 T HA 0.494 4.844 4.350 0.000 0.000 0.296 212 T C -0.081 174.695 174.700 0.127 0.000 1.000 212 T CA -0.684 61.542 62.100 0.210 0.000 0.989 212 T CB 1.851 70.853 68.868 0.223 0.000 1.005 212 T HN 0.725 nan 8.240 nan 0.000 0.442 213 T N -0.656 113.996 114.554 0.162 0.000 2.823 213 T HA 0.695 5.045 4.350 0.000 0.000 0.279 213 T C -0.477 174.327 174.700 0.174 0.000 0.998 213 T CA -0.812 61.345 62.100 0.095 0.000 0.994 213 T CB 1.165 70.041 68.868 0.013 0.000 0.960 213 T HN 0.749 nan 8.240 nan 0.000 0.448 214 C N 5.420 124.815 119.300 0.159 0.000 2.551 214 C HA 0.825 5.285 4.460 0.000 0.000 0.332 214 C C -0.847 174.264 174.990 0.202 0.000 1.139 214 C CA -0.663 58.466 59.018 0.186 0.000 1.328 214 C CB 0.614 28.499 27.740 0.242 0.000 1.903 214 C HN 1.155 nan 8.230 nan 0.000 0.459 215 M N 6.623 126.300 119.600 0.129 0.000 2.324 215 M HA 0.462 4.942 4.480 0.000 0.000 0.288 215 M C -1.934 174.522 176.300 0.261 0.000 1.097 215 M CA -0.146 55.283 55.300 0.215 0.000 0.928 215 M CB 1.496 34.217 32.600 0.201 0.000 1.648 215 M HN 0.908 nan 8.290 nan 0.000 0.460 216 H N 4.688 124.074 119.070 0.526 0.000 2.609 216 H HA 0.503 5.059 4.556 0.000 0.000 0.344 216 H C -0.254 175.237 175.328 0.270 0.000 1.040 216 H CA -0.340 55.946 56.048 0.396 0.000 1.216 216 H CB 1.549 31.495 29.762 0.308 0.000 1.529 216 H HN 0.797 nan 8.280 nan 0.000 0.519 217 R N 2.987 123.652 120.500 0.275 0.000 2.299 217 R HA 0.095 4.435 4.340 0.000 0.000 0.197 217 R C 0.622 177.106 176.300 0.306 0.000 0.971 217 R CA 0.178 56.429 56.100 0.251 0.000 1.030 217 R CB 0.439 30.821 30.300 0.137 0.000 0.932 217 R HN 0.396 nan 8.270 nan 0.000 0.477 218 R N 0.412 121.240 120.500 0.547 0.000 2.718 218 R HA 0.302 4.642 4.340 0.000 0.000 0.307 218 R C -0.236 176.111 176.300 0.077 0.000 1.244 218 R CA -0.009 56.275 56.100 0.307 0.000 1.348 218 R CB 1.035 31.494 30.300 0.266 0.000 1.304 218 R HN 0.032 nan 8.270 nan 0.000 0.663 219 A N -0.383 122.423 122.820 -0.022 0.000 2.275 219 A HA 0.254 4.574 4.320 0.000 0.000 0.212 219 A C 1.178 178.699 177.584 -0.104 0.000 1.201 219 A CA 0.551 52.432 52.037 -0.259 0.000 0.843 219 A CB 0.199 19.012 19.000 -0.312 0.000 0.873 219 A HN 0.571 nan 8.150 nan 0.000 0.492 220 G N -0.778 108.011 108.800 -0.017 0.000 2.249 220 G HA2 -0.062 3.898 3.960 0.000 0.000 0.273 220 G HA3 -0.062 3.898 3.960 0.000 0.000 0.273 220 G C 0.111 175.021 174.900 0.017 0.000 1.036 220 G CA 0.932 46.033 45.100 0.001 0.000 0.824 220 G HN 1.847 nan 8.290 nan 0.000 0.504 221 S N -1.464 114.263 115.700 0.045 0.000 2.578 221 S HA 0.484 4.954 4.470 0.000 0.000 0.285 221 S C -0.851 173.814 174.600 0.107 0.000 1.126 221 S CA 0.262 58.500 58.200 0.063 0.000 0.878 221 S CB 1.490 64.721 63.200 0.053 0.000 1.091 221 S HN 0.929 nan 8.310 nan 0.000 0.450 222 Q N 3.719 123.575 119.800 0.094 0.000 2.563 222 Q HA 0.467 4.807 4.340 0.000 0.000 0.232 222 Q C -0.395 175.657 176.000 0.086 0.000 1.106 222 Q CA -0.465 55.399 55.803 0.102 0.000 0.913 222 Q CB 0.512 29.298 28.738 0.081 0.000 1.175 222 Q HN 0.612 nan 8.270 nan 0.000 0.540 223 R N 2.041 122.606 120.500 0.108 0.000 2.803 223 R HA 0.422 4.762 4.340 0.000 0.000 0.276 223 R C -1.456 174.859 176.300 0.025 0.000 0.978 223 R CA -0.483 55.661 56.100 0.074 0.000 0.939 223 R CB 1.846 32.208 30.300 0.104 0.000 1.179 223 R HN 0.561 nan 8.270 nan 0.000 0.472 224 E N 1.954 122.158 120.200 0.007 0.000 2.241 224 E HA 0.307 4.657 4.350 0.000 0.000 0.263 224 E C -1.676 174.928 176.600 0.007 0.000 0.882 224 E CA -0.566 55.822 56.400 -0.019 0.000 0.769 224 E CB 1.817 31.516 29.700 -0.002 0.000 1.185 224 E HN 0.750 nan 8.360 nan 0.000 0.415 225 T N -0.399 114.151 114.554 -0.006 0.000 2.896 225 T HA 0.670 5.020 4.350 0.000 0.000 0.297 225 T C -0.911 173.786 174.700 -0.006 0.000 1.108 225 T CA -0.717 61.390 62.100 0.012 0.000 1.004 225 T CB 1.642 70.516 68.868 0.010 0.000 1.159 225 T HN 0.140 nan 8.240 nan 0.000 0.499 226 V N 1.508 121.415 119.914 -0.012 0.000 2.623 226 V HA 0.523 4.643 4.120 0.000 0.000 0.304 226 V C -0.907 175.132 176.094 -0.091 0.000 1.054 226 V CA -0.767 61.490 62.300 -0.071 0.000 0.882 226 V CB 1.791 33.557 31.823 -0.095 0.000 1.002 226 V HN 0.989 nan 8.190 nan 0.000 0.424 227 Q N 2.616 122.361 119.800 -0.092 0.000 2.340 227 Q HA 0.844 5.184 4.340 0.000 0.000 0.268 227 Q C -0.609 175.326 176.000 -0.108 0.000 1.031 227 Q CA -0.484 55.261 55.803 -0.097 0.000 0.804 227 Q CB 2.693 31.398 28.738 -0.055 0.000 1.286 227 Q HN 0.943 nan 8.270 nan 0.000 0.448 228 A N 2.006 124.747 122.820 -0.132 0.000 2.356 228 A HA 0.702 5.022 4.320 0.000 0.000 0.310 228 A C -1.074 176.453 177.584 -0.096 0.000 1.075 228 A CA -0.577 51.387 52.037 -0.120 0.000 0.746 228 A CB 1.334 20.244 19.000 -0.152 0.000 1.221 228 A HN 0.482 nan 8.150 nan 0.000 0.443 229 V N 3.317 123.190 119.914 -0.069 0.000 2.304 229 V HA 0.550 4.670 4.120 0.000 0.000 0.278 229 V C 0.514 176.580 176.094 -0.047 0.000 1.018 229 V CA 0.189 62.458 62.300 -0.052 0.000 0.814 229 V CB 0.992 32.793 31.823 -0.036 0.000 1.021 229 V HN 1.154 nan 8.190 nan 0.000 0.440 230 T N 0.038 114.566 114.554 -0.045 0.000 2.841 230 T HA 0.471 4.821 4.350 0.000 0.000 0.276 230 T C -0.473 174.212 174.700 -0.025 0.000 1.003 230 T CA -0.717 61.361 62.100 -0.036 0.000 0.995 230 T CB 1.928 70.774 68.868 -0.037 0.000 1.260 230 T HN 0.393 nan 8.240 nan 0.000 0.581 231 D N -0.396 119.992 120.400 -0.020 0.000 2.393 231 D HA 0.457 5.097 4.640 0.000 0.000 0.232 231 D C 1.271 177.566 176.300 -0.008 0.000 1.192 231 D CA 1.056 55.048 54.000 -0.013 0.000 0.882 231 D CB -0.196 40.596 40.800 -0.012 0.000 1.038 231 D HN 1.095 nan 8.370 nan 0.000 0.499 232 G N 2.188 110.984 108.800 -0.006 0.000 2.211 232 G HA2 0.100 4.060 3.960 0.000 0.000 0.201 232 G HA3 0.100 4.060 3.960 0.000 0.000 0.201 232 G C 0.196 175.097 174.900 0.003 0.000 0.997 232 G CA 0.063 45.163 45.100 0.000 0.000 0.652 232 G HN 0.994 nan 8.290 nan 0.000 0.500 233 A N -0.749 122.068 122.820 -0.005 0.000 2.606 233 A HA 0.863 5.183 4.320 0.000 0.000 0.293 233 A C -1.467 176.100 177.584 -0.029 0.000 1.082 233 A CA -0.338 51.695 52.037 -0.007 0.000 0.685 233 A CB 1.668 20.672 19.000 0.007 0.000 1.284 233 A HN 1.187 nan 8.150 nan 0.000 0.408 234 L N 1.953 123.152 121.223 -0.040 0.000 2.406 234 L HA 0.647 4.987 4.340 0.000 0.000 0.270 234 L C -1.581 175.220 176.870 -0.114 0.000 0.982 234 L CA -0.428 54.373 54.840 -0.066 0.000 0.843 234 L CB 1.014 43.047 42.059 -0.044 0.000 1.225 234 L HN 0.689 nan 8.230 nan 0.000 0.412 235 I N 3.587 124.048 120.570 -0.182 0.000 2.530 235 I HA 0.463 4.633 4.170 0.000 0.000 0.297 235 I C -1.018 174.895 176.117 -0.340 0.000 1.011 235 I CA -0.655 60.439 61.300 -0.343 0.000 1.107 235 I CB 2.048 39.751 38.000 -0.494 0.000 1.285 235 I HN 0.451 nan 8.210 nan 0.000 0.436 236 D N 7.212 127.375 120.400 -0.394 0.000 2.780 236 D HA 0.555 5.196 4.640 0.000 0.000 0.242 236 D C -0.743 175.384 176.300 -0.287 0.000 1.135 236 D CA -0.185 53.656 54.000 -0.266 0.000 0.859 236 D CB 3.112 43.817 40.800 -0.158 0.000 1.530 236 D HN 0.261 nan 8.370 nan 0.000 0.493 237 I N 1.228 121.701 120.570 -0.162 0.000 2.439 237 I HA 0.165 4.335 4.170 0.000 0.000 0.285 237 I C -0.280 175.837 176.117 0.000 0.000 1.021 237 I CA -0.382 60.882 61.300 -0.059 0.000 1.091 237 I CB 2.065 40.100 38.000 0.059 0.000 1.242 237 I HN 0.044 nan 8.210 nan 0.000 0.439 238 T N 4.235 118.779 114.554 -0.016 0.000 2.767 238 T HA 0.180 4.530 4.350 0.000 0.000 0.284 238 T C 0.025 174.717 174.700 -0.013 0.000 0.973 238 T CA -0.284 61.810 62.100 -0.010 0.000 0.996 238 T CB 0.736 69.589 68.868 -0.025 0.000 0.927 238 T HN 0.628 nan 8.240 nan 0.000 0.456 239 D N 2.721 123.115 120.400 -0.009 0.000 2.792 239 D HA -0.243 4.397 4.640 0.000 0.000 0.231 239 D C 0.932 177.180 176.300 -0.087 0.000 1.160 239 D CA 0.616 54.596 54.000 -0.033 0.000 0.697 239 D CB -1.137 39.649 40.800 -0.024 0.000 1.070 239 D HN 0.861 nan 8.370 nan 0.000 0.426 240 M N -3.216 116.303 119.600 -0.134 0.000 2.843 240 M HA -0.391 4.089 4.480 0.000 0.000 0.171 240 M C 1.474 177.682 176.300 -0.154 0.000 0.656 240 M CA 2.089 57.218 55.300 -0.285 0.000 0.629 240 M CB -0.784 31.571 32.600 -0.408 0.000 2.287 240 M HN 0.390 nan 8.290 nan 0.000 0.348 241 R N 0.291 120.747 120.500 -0.074 0.000 2.144 241 R HA 0.154 4.494 4.340 0.000 0.000 0.195 241 R C 0.143 176.444 176.300 0.002 0.000 1.077 241 R CA 0.208 56.284 56.100 -0.040 0.000 1.120 241 R CB 0.585 30.862 30.300 -0.039 0.000 1.060 241 R HN 0.158 nan 8.270 nan 0.000 0.520 242 E N 0.203 120.403 120.200 0.000 0.000 2.301 242 E HA 0.099 4.449 4.350 0.000 0.000 0.275 242 E C -1.614 175.041 176.600 0.092 0.000 1.030 242 E CA -0.146 56.258 56.400 0.006 0.000 0.852 242 E CB 0.882 30.541 29.700 -0.068 0.000 1.060 242 E HN 0.232 nan 8.360 nan 0.000 0.401 243 W N 5.582 126.819 121.300 -0.105 0.000 2.687 243 W HA 0.413 5.073 4.660 0.000 0.000 0.328 243 W C -1.310 175.169 176.519 -0.065 0.000 1.012 243 W CA -0.532 56.776 57.345 -0.062 0.000 1.262 243 W CB 0.678 30.120 29.460 -0.029 0.000 1.331 243 W HN 0.495 nan 8.180 nan 0.000 0.433 244 R N 4.237 124.625 120.500 -0.187 0.000 2.562 244 R HA 0.429 4.769 4.340 0.000 0.000 0.298 244 R C -0.449 175.735 176.300 -0.194 0.000 0.961 244 R CA -0.632 55.438 56.100 -0.050 0.000 0.881 244 R CB 2.750 33.013 30.300 -0.062 0.000 1.159 244 R HN 0.574 nan 8.270 nan 0.000 0.450 245 E N 1.475 121.692 120.200 0.028 0.000 2.367 245 E HA 0.360 4.710 4.350 0.000 0.000 0.273 245 E C -1.202 175.430 176.600 0.054 0.000 0.903 245 E CA -0.961 55.435 56.400 -0.006 0.000 0.764 245 E CB 2.601 32.381 29.700 0.133 0.000 1.252 245 E HN 0.330 nan 8.360 nan 0.000 0.446 246 E N 1.554 121.765 120.200 0.019 0.000 2.216 246 E HA 0.285 4.635 4.350 0.000 0.000 0.260 246 E C -0.798 175.816 176.600 0.023 0.000 0.880 246 E CA -0.633 55.782 56.400 0.026 0.000 0.765 246 E CB 1.572 31.279 29.700 0.011 0.000 1.174 246 E HN 0.468 nan 8.360 nan 0.000 0.417 247 R N 1.604 122.124 120.500 0.034 0.000 2.816 247 R HA 0.227 4.567 4.340 0.000 0.000 0.382 247 R C 0.756 177.068 176.300 0.021 0.000 1.140 247 R CA 0.206 56.324 56.100 0.029 0.000 1.050 247 R CB 0.812 31.137 30.300 0.042 0.000 1.396 247 R HN 0.820 nan 8.270 nan 0.000 0.583 248 G N 0.879 109.688 108.800 0.015 0.000 2.162 248 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 248 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 248 G C 0.690 175.597 174.900 0.011 0.000 0.976 248 G CA 0.142 45.248 45.100 0.011 0.000 0.655 248 G HN 0.354 nan 8.290 nan 0.000 0.533 249 Q N -0.325 119.484 119.800 0.015 0.000 2.139 249 Q HA 0.469 4.809 4.340 0.000 0.000 0.219 249 Q C 1.014 177.021 176.000 0.011 0.000 0.805 249 Q CA 0.762 56.573 55.803 0.013 0.000 1.024 249 Q CB 1.035 29.782 28.738 0.015 0.000 1.163 249 Q HN 1.863 nan 8.270 nan 0.000 0.485 250 G N 0.066 108.873 108.800 0.013 0.000 2.570 250 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 250 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 250 G C -0.695 174.218 174.900 0.021 0.000 1.257 250 G CA -0.806 44.299 45.100 0.009 0.000 0.846 250 G HN -0.018 nan 8.290 nan 0.000 0.627 251 V N 0.081 120.007 119.914 0.020 0.000 2.521 251 V HA 0.423 4.543 4.120 0.000 0.000 0.286 251 V C 0.888 177.014 176.094 0.053 0.000 1.034 251 V CA -0.290 62.041 62.300 0.051 0.000 1.045 251 V CB 1.147 33.009 31.823 0.066 0.000 0.974 251 V HN 0.909 nan 8.190 nan 0.000 0.480 252 V N 5.162 125.156 119.914 0.133 0.000 2.444 252 V HA 0.360 4.480 4.120 0.000 0.000 0.294 252 V C -0.227 176.072 176.094 0.342 0.000 1.022 252 V CA -0.646 61.749 62.300 0.158 0.000 0.850 252 V CB 1.384 33.291 31.823 0.141 0.000 0.992 252 V HN 0.891 nan 8.190 nan 0.000 0.426 253 H N 3.966 123.100 119.070 0.106 0.000 2.640 253 H HA 0.268 4.824 4.556 0.000 0.000 0.297 253 H C 0.233 175.632 175.328 0.118 0.000 1.073 253 H CA -0.695 55.432 56.048 0.132 0.000 1.305 253 H CB 1.202 31.010 29.762 0.077 0.000 1.404 253 H HN 0.572 nan 8.280 nan 0.000 0.459 254 K N 5.212 125.774 120.400 0.271 0.000 2.448 254 K HA 0.079 4.399 4.320 0.000 0.000 0.278 254 K C -2.448 174.175 176.600 0.038 0.000 1.009 254 K CA -1.254 55.061 56.287 0.047 0.000 0.995 254 K CB 0.353 32.710 32.500 -0.238 0.000 0.917 254 K HN 0.290 nan 8.250 nan 0.000 0.481 255 P HA 0.082 nan 4.420 nan 0.000 0.271 255 P C -0.795 176.489 177.300 -0.026 0.000 1.216 255 P CA 0.021 63.118 63.100 -0.004 0.000 0.771 255 P CB 0.461 32.151 31.700 -0.015 0.000 0.864 256 I N 5.042 125.600 120.570 -0.019 0.000 2.312 256 I HA 0.189 4.359 4.170 0.000 0.000 0.291 256 I C -1.737 174.354 176.117 -0.042 0.000 1.031 256 I CA -2.153 59.127 61.300 -0.033 0.000 1.293 256 I CB 0.340 38.321 38.000 -0.033 0.000 1.403 256 I HN 0.198 nan 8.210 nan 0.000 0.484 257 P HA -0.034 nan 4.420 nan 0.000 0.258 257 P C 1.159 178.435 177.300 -0.040 0.000 1.172 257 P CA 0.228 63.317 63.100 -0.019 0.000 0.762 257 P CB 0.662 32.365 31.700 0.004 0.000 0.764 258 G N 1.941 110.704 108.800 -0.061 0.000 2.681 258 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 258 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 258 G C -0.096 174.620 174.900 -0.308 0.000 1.210 258 G CA 0.267 45.256 45.100 -0.185 0.000 0.783 258 G HN 0.544 nan 8.290 nan 0.000 0.609 259 W N 1.255 122.555 121.300 0.000 0.000 2.060 259 W HA 0.592 5.252 4.660 0.000 0.000 0.347 259 W C 0.357 176.878 176.519 0.003 0.000 0.831 259 W CA -0.751 56.595 57.345 0.002 0.000 1.590 259 W CB 0.492 29.953 29.460 0.003 0.000 1.737 259 W HN 0.115 nan 8.180 nan 0.000 0.329 260 Q N 2.148 122.044 119.800 0.159 0.000 2.321 260 Q HA 0.365 4.705 4.340 0.000 0.000 0.270 260 Q C 0.190 176.252 176.000 0.103 0.000 1.032 260 Q CA -0.468 55.406 55.803 0.118 0.000 0.784 260 Q CB 1.717 30.484 28.738 0.050 0.000 1.264 260 Q HN 0.283 nan 8.270 nan 0.000 0.448 261 S N 2.088 117.855 115.700 0.113 0.000 2.614 261 S HA 0.171 4.641 4.470 0.000 0.000 0.265 261 S C 0.706 175.338 174.600 0.053 0.000 1.303 261 S CA -0.114 58.144 58.200 0.096 0.000 1.000 261 S CB 1.277 64.536 63.200 0.098 0.000 0.935 261 S HN 0.698 nan 8.310 nan 0.000 0.551 262 T N 1.388 115.970 114.554 0.047 0.000 3.023 262 T HA 0.042 4.392 4.350 0.000 0.000 0.266 262 T C 1.407 176.133 174.700 0.043 0.000 1.093 262 T CA 0.767 62.883 62.100 0.027 0.000 1.129 262 T CB -0.492 68.393 68.868 0.029 0.000 0.899 262 T HN 0.456 nan 8.240 nan 0.000 0.491 263 L N 0.972 122.235 121.223 0.067 0.000 2.376 263 L HA 0.143 4.483 4.340 0.000 0.000 0.219 263 L C 2.371 179.289 176.870 0.080 0.000 1.133 263 L CA 1.276 56.187 54.840 0.118 0.000 0.816 263 L CB -0.530 41.553 42.059 0.040 0.000 0.933 263 L HN 0.235 nan 8.230 nan 0.000 0.449 264 E N -0.492 119.731 120.200 0.039 0.000 2.216 264 E HA -0.125 4.225 4.350 0.000 0.000 0.192 264 E C 2.025 178.606 176.600 -0.032 0.000 0.973 264 E CA 0.245 56.655 56.400 0.018 0.000 0.851 264 E CB 0.193 29.917 29.700 0.040 0.000 0.804 264 E HN 0.557 nan 8.360 nan 0.000 0.477 265 Q N 0.111 119.884 119.800 -0.046 0.000 2.119 265 Q HA -0.076 4.264 4.340 0.000 0.000 0.201 265 Q C 1.840 177.730 176.000 -0.182 0.000 0.972 265 Q CA 0.967 56.713 55.803 -0.094 0.000 0.847 265 Q CB 0.090 28.781 28.738 -0.079 0.000 0.903 265 Q HN 0.067 nan 8.270 nan 0.000 0.433 266 R N -0.519 119.850 120.500 -0.218 0.000 2.323 266 R HA 0.052 4.392 4.340 0.000 0.000 0.198 266 R C 1.140 177.132 176.300 -0.513 0.000 0.988 266 R CA 0.911 56.771 56.100 -0.399 0.000 1.041 266 R CB -0.044 29.960 30.300 -0.493 0.000 0.926 266 R HN 0.449 nan 8.270 nan 0.000 0.476 267 G N 0.414 109.018 108.800 -0.326 0.000 2.157 267 G HA2 -0.307 3.653 3.960 0.000 0.000 0.248 267 G HA3 -0.307 3.653 3.960 0.000 0.000 0.248 267 G C 0.717 175.456 174.900 -0.269 0.000 0.979 267 G CA 0.163 45.141 45.100 -0.203 0.000 0.650 267 G HN 0.350 nan 8.290 nan 0.000 0.529 268 F N 0.454 120.246 119.950 -0.264 0.000 2.075 268 F HA -0.101 4.426 4.527 0.000 0.000 0.297 268 F C 2.898 178.492 175.800 -0.344 0.000 1.113 268 F CA 1.803 59.483 58.000 -0.534 0.000 1.218 268 F CB -0.533 37.993 39.000 -0.790 0.000 0.984 268 F HN 0.162 nan 8.300 nan 0.000 0.472 269 V N 0.256 120.173 119.914 0.005 0.000 2.219 269 V HA -0.322 3.798 4.120 0.000 0.000 0.248 269 V C 2.681 178.806 176.094 0.053 0.000 1.053 269 V CA 2.171 64.502 62.300 0.053 0.000 1.009 269 V CB -1.690 30.180 31.823 0.079 0.000 0.636 269 V HN 0.524 nan 8.190 nan 0.000 0.445 270 G N -1.869 106.964 108.800 0.055 0.000 2.485 270 G HA2 -0.346 3.614 3.960 0.000 0.000 0.221 270 G HA3 -0.346 3.614 3.960 0.000 0.000 0.221 270 G C 1.774 176.581 174.900 -0.156 0.000 1.115 270 G CA 1.263 46.416 45.100 0.088 0.000 0.751 270 G HN 0.552 nan 8.290 nan 0.000 0.567 271 C N 0.190 119.281 119.300 -0.348 0.000 2.500 271 C HA 0.373 4.833 4.460 0.000 0.000 0.279 271 C C 3.442 178.327 174.990 -0.176 0.000 1.288 271 C CA 1.284 59.845 59.018 -0.761 0.000 1.710 271 C CB -0.973 26.549 27.740 -0.362 0.000 2.052 271 C HN 0.561 nan 8.230 nan 0.000 0.488 272 A N 1.247 124.096 122.820 0.048 0.000 1.851 272 A HA -0.176 4.144 4.320 0.000 0.000 0.216 272 A C 2.311 180.032 177.584 0.229 0.000 1.195 272 A CA 1.619 53.764 52.037 0.181 0.000 0.622 272 A CB -0.687 18.348 19.000 0.058 0.000 0.831 272 A HN 0.662 nan 8.150 nan 0.000 0.444 273 R N -0.948 119.649 120.500 0.162 0.000 2.096 273 R HA -0.200 4.140 4.340 0.000 0.000 0.240 273 R C 2.188 178.577 176.300 0.149 0.000 1.139 273 R CA 1.728 57.934 56.100 0.176 0.000 0.952 273 R CB -1.119 29.295 30.300 0.191 0.000 0.854 273 R HN 0.853 nan 8.270 nan 0.000 0.436 274 H N -0.261 118.826 119.070 0.029 0.000 2.491 274 H HA -0.122 4.434 4.556 0.000 0.000 0.290 274 H C 1.746 177.119 175.328 0.074 0.000 1.050 274 H CA 1.148 57.227 56.048 0.050 0.000 1.309 274 H CB 0.016 29.804 29.762 0.044 0.000 1.392 274 H HN 0.123 nan 8.280 nan 0.000 0.554 275 F N 1.429 121.336 119.950 -0.072 0.000 2.094 275 F HA -0.122 4.405 4.527 0.000 0.000 0.291 275 F C 2.249 177.945 175.800 -0.174 0.000 1.109 275 F CA 0.713 58.645 58.000 -0.113 0.000 1.221 275 F CB -0.613 38.414 39.000 0.045 0.000 1.014 275 F HN 0.003 nan 8.300 nan 0.000 0.473 276 I N 0.860 121.261 120.570 -0.282 0.000 2.248 276 I HA -0.280 3.890 4.170 0.000 0.000 0.248 276 I C 2.232 178.176 176.117 -0.288 0.000 1.107 276 I CA 1.523 62.591 61.300 -0.386 0.000 1.373 276 I CB -1.590 36.289 38.000 -0.201 0.000 1.055 276 I HN 0.343 nan 8.210 nan 0.000 0.418 277 E N -0.025 120.065 120.200 -0.184 0.000 2.107 277 E HA -0.157 4.193 4.350 0.000 0.000 0.191 277 E C 2.372 178.835 176.600 -0.228 0.000 0.982 277 E CA 1.378 57.693 56.400 -0.142 0.000 0.809 277 E CB -0.062 29.606 29.700 -0.054 0.000 0.756 277 E HN 0.459 nan 8.360 nan 0.000 0.459 278 C N 0.321 119.418 119.300 -0.340 0.000 2.422 278 C HA -0.079 4.381 4.460 0.000 0.000 0.279 278 C C 2.606 177.383 174.990 -0.356 0.000 1.305 278 C CA 0.135 58.958 59.018 -0.326 0.000 1.757 278 C CB -0.735 26.794 27.740 -0.351 0.000 1.962 278 C HN 0.247 nan 8.230 nan 0.000 0.499 279 V N 0.893 120.501 119.914 -0.509 0.000 2.220 279 V HA -0.309 3.811 4.120 0.000 0.000 0.246 279 V C 2.453 178.330 176.094 -0.362 0.000 1.049 279 V CA 2.221 64.163 62.300 -0.597 0.000 1.003 279 V CB -1.088 30.306 31.823 -0.715 0.000 0.634 279 V HN 0.551 nan 8.190 nan 0.000 0.444 280 Q N 0.512 120.155 119.800 -0.261 0.000 2.002 280 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 280 Q C 1.990 177.918 176.000 -0.119 0.000 0.988 280 Q CA 2.219 57.931 55.803 -0.151 0.000 0.843 280 Q CB -0.416 28.264 28.738 -0.097 0.000 0.908 280 Q HN 0.728 nan 8.270 nan 0.000 0.420 281 N N 0.459 119.090 118.700 -0.114 0.000 2.573 281 N HA -0.104 4.636 4.740 0.000 0.000 0.187 281 N C -0.516 174.942 175.510 -0.086 0.000 1.107 281 N CA 0.087 53.090 53.050 -0.079 0.000 0.918 281 N CB 0.082 38.532 38.487 -0.062 0.000 0.966 281 N HN 0.230 nan 8.380 nan 0.000 0.448 282 Q N 0.282 120.003 119.800 -0.131 0.000 2.452 282 Q HA -0.156 4.184 4.340 0.000 0.000 0.318 282 Q C -0.664 175.286 176.000 -0.084 0.000 1.386 282 Q CA 0.612 56.343 55.803 -0.120 0.000 0.872 282 Q CB -1.772 26.920 28.738 -0.077 0.000 1.151 282 Q HN 0.476 nan 8.270 nan 0.000 0.417 283 T N -4.020 110.477 114.554 -0.096 0.000 2.942 283 T HA 0.701 5.051 4.350 0.000 0.000 0.289 283 T C 0.300 174.975 174.700 -0.042 0.000 1.044 283 T CA -0.859 61.210 62.100 -0.051 0.000 1.023 283 T CB 1.803 70.650 68.868 -0.034 0.000 1.123 283 T HN 0.112 nan 8.240 nan 0.000 0.512 284 V N 2.048 121.966 119.914 0.007 0.000 2.470 284 V HA 0.282 4.402 4.120 0.000 0.000 0.276 284 V C -2.034 174.110 176.094 0.083 0.000 1.040 284 V CA -1.435 60.889 62.300 0.039 0.000 1.008 284 V CB -0.558 31.299 31.823 0.057 0.000 0.990 284 V HN 0.783 nan 8.190 nan 0.000 0.477 285 P HA 0.048 nan 4.420 nan 0.000 0.269 285 P C 0.813 178.319 177.300 0.343 0.000 1.217 285 P CA -0.170 63.067 63.100 0.229 0.000 0.783 285 P CB 0.531 32.356 31.700 0.208 0.000 0.898 286 Q N 0.250 120.392 119.800 0.569 0.000 2.224 286 Q HA -0.083 4.257 4.340 0.000 0.000 0.203 286 Q C 0.497 176.622 176.000 0.209 0.000 0.970 286 Q CA 1.552 57.523 55.803 0.281 0.000 0.865 286 Q CB -0.114 28.674 28.738 0.084 0.000 0.922 286 Q HN 0.605 nan 8.270 nan 0.000 0.445 287 T N -2.209 112.510 114.554 0.275 0.000 3.327 287 T HA 0.724 5.074 4.350 0.000 0.000 0.244 287 T C -0.423 174.386 174.700 0.182 0.000 1.074 287 T CA -0.287 61.964 62.100 0.251 0.000 1.156 287 T CB 0.797 69.882 68.868 0.361 0.000 1.087 287 T HN 0.177 nan 8.240 nan 0.000 0.575 288 A N 0.032 122.943 122.820 0.152 0.000 2.423 288 A HA 1.015 5.335 4.320 0.000 0.000 0.304 288 A C 0.988 178.627 177.584 0.091 0.000 1.104 288 A CA -0.120 51.981 52.037 0.107 0.000 0.757 288 A CB 0.951 20.012 19.000 0.103 0.000 1.313 288 A HN 1.498 nan 8.150 nan 0.000 0.423 289 G N 0.626 109.468 108.800 0.070 0.000 2.565 289 G HA2 -0.340 3.620 3.960 0.000 0.000 0.295 289 G HA3 -0.340 3.620 3.960 0.000 0.000 0.295 289 G C 1.031 175.972 174.900 0.068 0.000 1.165 289 G CA 1.552 46.689 45.100 0.062 0.000 0.977 289 G HN 1.417 nan 8.290 nan 0.000 0.546 290 E N -0.093 120.147 120.200 0.066 0.000 2.110 290 E HA -0.055 4.295 4.350 0.000 0.000 0.193 290 E C 2.434 179.081 176.600 0.078 0.000 0.988 290 E CA 2.133 58.572 56.400 0.064 0.000 0.804 290 E CB -0.260 29.473 29.700 0.054 0.000 0.745 290 E HN 0.458 nan 8.360 nan 0.000 0.458 291 Q N -0.742 119.113 119.800 0.092 0.000 2.515 291 Q HA 0.061 4.401 4.340 0.000 0.000 0.212 291 Q C 1.316 177.429 176.000 0.187 0.000 0.970 291 Q CA 0.941 56.813 55.803 0.114 0.000 0.941 291 Q CB 0.280 29.088 28.738 0.117 0.000 0.998 291 Q HN 0.398 nan 8.270 nan 0.000 0.518 292 A N -0.141 122.776 122.820 0.163 0.000 2.115 292 A HA 0.045 4.365 4.320 0.000 0.000 0.211 292 A C 1.716 179.402 177.584 0.170 0.000 1.169 292 A CA 0.731 52.879 52.037 0.185 0.000 0.787 292 A CB 0.397 19.447 19.000 0.084 0.000 0.858 292 A HN 0.212 nan 8.150 nan 0.000 0.474 293 V N -3.548 116.440 119.914 0.122 0.000 3.477 293 V HA 0.249 4.369 4.120 0.000 0.000 0.297 293 V C 1.667 177.805 176.094 0.074 0.000 1.433 293 V CA 0.346 62.702 62.300 0.094 0.000 1.052 293 V CB -0.506 31.359 31.823 0.070 0.000 0.895 293 V HN 0.186 nan 8.190 nan 0.000 0.438 294 L N 2.577 123.842 121.223 0.069 0.000 1.934 294 L HA -0.092 4.248 4.340 0.000 0.000 0.227 294 L C 2.763 179.635 176.870 0.004 0.000 1.084 294 L CA 3.194 58.052 54.840 0.029 0.000 0.790 294 L CB -0.979 41.085 42.059 0.008 0.000 0.896 294 L HN 0.316 nan 8.230 nan 0.000 0.437 295 A N -1.428 121.369 122.820 -0.038 0.000 1.986 295 A HA -0.337 3.983 4.320 0.000 0.000 0.220 295 A C 2.281 179.849 177.584 -0.028 0.000 1.171 295 A CA 2.099 54.090 52.037 -0.076 0.000 0.640 295 A CB -0.873 18.026 19.000 -0.169 0.000 0.811 295 A HN 0.758 nan 8.150 nan 0.000 0.451 296 Q N -0.740 119.067 119.800 0.013 0.000 2.170 296 Q HA -0.160 4.180 4.340 0.000 0.000 0.203 296 Q C 2.277 178.282 176.000 0.008 0.000 0.976 296 Q CA 1.470 57.276 55.803 0.005 0.000 0.858 296 Q CB -0.122 28.632 28.738 0.028 0.000 0.907 296 Q HN 0.677 nan 8.270 nan 0.000 0.433 297 R N -0.346 120.170 120.500 0.025 0.000 2.115 297 R HA -0.124 4.216 4.340 0.000 0.000 0.230 297 R C 1.835 178.160 176.300 0.042 0.000 1.111 297 R CA 1.200 57.322 56.100 0.037 0.000 0.976 297 R CB -0.017 30.308 30.300 0.041 0.000 0.870 297 R HN 0.280 nan 8.270 nan 0.000 0.445 298 I N -0.394 120.197 120.570 0.035 0.000 2.193 298 I HA -0.204 3.966 4.170 0.000 0.000 0.240 298 I C 2.195 178.338 176.117 0.044 0.000 1.084 298 I CA 0.926 62.258 61.300 0.054 0.000 1.365 298 I CB -0.501 37.542 38.000 0.073 0.000 1.064 298 I HN -0.109 nan 8.210 nan 0.000 0.410 299 V N 0.786 120.711 119.914 0.019 0.000 2.380 299 V HA -0.355 3.765 4.120 0.000 0.000 0.251 299 V C 2.209 178.327 176.094 0.040 0.000 1.063 299 V CA 2.355 64.665 62.300 0.017 0.000 1.055 299 V CB -0.787 31.018 31.823 -0.031 0.000 0.657 299 V HN 0.445 nan 8.190 nan 0.000 0.455 300 D N -0.213 120.211 120.400 0.039 0.000 2.117 300 D HA -0.186 4.454 4.640 0.000 0.000 0.198 300 D C 2.237 178.639 176.300 0.170 0.000 0.982 300 D CA 1.319 55.382 54.000 0.106 0.000 0.828 300 D CB -0.146 40.704 40.800 0.083 0.000 0.967 300 D HN 0.344 nan 8.370 nan 0.000 0.464 301 K N -0.224 120.240 120.400 0.108 0.000 2.063 301 K HA -0.134 4.186 4.320 0.000 0.000 0.208 301 K C 2.114 178.766 176.600 0.087 0.000 1.048 301 K CA 1.110 57.451 56.287 0.090 0.000 0.928 301 K CB -0.101 32.436 32.500 0.061 0.000 0.713 301 K HN 0.218 nan 8.250 nan 0.000 0.442 302 I N -0.750 119.863 120.570 0.072 0.000 2.072 302 I HA -0.291 3.879 4.170 0.000 0.000 0.235 302 I C 2.178 178.374 176.117 0.131 0.000 1.058 302 I CA 1.456 62.785 61.300 0.047 0.000 1.320 302 I CB -0.577 37.390 38.000 -0.055 0.000 1.047 302 I HN 0.370 nan 8.210 nan 0.000 0.397 303 W N 2.213 123.515 121.300 0.002 0.000 2.305 303 W HA -0.264 4.396 4.660 0.000 0.000 0.308 303 W C 2.760 179.314 176.519 0.059 0.000 1.226 303 W CA 1.801 59.172 57.345 0.043 0.000 1.253 303 W CB -0.284 29.217 29.460 0.067 0.000 1.146 303 W HN -0.032 nan 8.180 nan 0.000 0.507 304 R N -0.238 120.400 120.500 0.229 0.000 2.200 304 R HA -0.167 4.173 4.340 0.000 0.000 0.234 304 R C 1.448 177.712 176.300 -0.060 0.000 1.127 304 R CA 1.596 57.740 56.100 0.073 0.000 0.989 304 R CB -0.347 30.032 30.300 0.132 0.000 0.869 304 R HN 0.290 nan 8.270 nan 0.000 0.459 305 D N -0.185 120.188 120.400 -0.044 0.000 2.369 305 D HA 0.017 4.657 4.640 0.000 0.000 0.231 305 D C 1.399 177.637 176.300 -0.104 0.000 0.967 305 D CA 0.803 54.770 54.000 -0.055 0.000 0.905 305 D CB -0.307 40.487 40.800 -0.009 0.000 1.044 305 D HN 0.099 nan 8.370 nan 0.000 0.487 306 A N 0.391 123.147 122.820 -0.106 0.000 2.277 306 A HA -0.040 4.280 4.320 0.000 0.000 0.208 306 A C 1.280 178.709 177.584 -0.258 0.000 1.202 306 A CA 0.835 52.798 52.037 -0.124 0.000 0.762 306 A CB -0.355 18.615 19.000 -0.049 0.000 0.770 306 A HN 0.070 nan 8.150 nan 0.000 0.487 307 M N -0.732 118.646 119.600 -0.370 0.000 2.705 307 M HA 0.123 4.603 4.480 0.000 0.000 0.387 307 M C 0.953 177.083 176.300 -0.282 0.000 1.204 307 M CA 0.749 55.773 55.300 -0.460 0.000 0.905 307 M CB -0.082 31.931 32.600 -0.978 0.000 1.394 307 M HN 0.496 nan 8.290 nan 0.000 0.515 308 S N -2.380 113.212 115.700 -0.180 0.000 2.691 308 S HA 0.266 4.736 4.470 0.000 0.000 0.258 308 S C 0.539 175.093 174.600 -0.077 0.000 1.078 308 S CA -0.328 57.803 58.200 -0.114 0.000 1.000 308 S CB 1.113 64.260 63.200 -0.090 0.000 0.942 308 S HN 0.264 nan 8.310 nan 0.000 0.521 309 E N 0.000 120.156 120.200 -0.073 0.000 2.725 309 E HA 0.000 4.350 4.350 0.000 0.000 0.291 309 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 309 E CB 0.000 29.678 29.700 -0.037 0.000 0.812 309 E HN 0.000 nan 8.360 nan 0.000 0.440