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 1ez2_1_B DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIXVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLR 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.273 176.300 -0.045 0.000 2.045 35 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 35 D CB 0.000 40.780 40.800 -0.034 0.000 0.688 36 R N -0.239 120.230 120.500 -0.053 0.000 2.750 36 R HA 0.788 5.128 4.340 0.001 0.000 0.281 36 R C -1.333 174.923 176.300 -0.073 0.000 0.972 36 R CA -0.552 55.512 56.100 -0.060 0.000 0.912 36 R CB 2.749 33.018 30.300 -0.053 0.000 1.187 36 R HN 0.419 nan 8.270 nan 0.000 0.464 37 I N 2.042 122.562 120.570 -0.084 0.000 2.404 37 I HA 0.217 4.388 4.170 0.001 0.000 0.293 37 I C -0.320 175.743 176.117 -0.090 0.000 0.992 37 I CA -0.955 60.289 61.300 -0.093 0.000 1.149 37 I CB 1.698 39.639 38.000 -0.098 0.000 1.315 37 I HN 0.303 nan 8.210 nan 0.000 0.446 38 N N 4.651 123.302 118.700 -0.083 0.000 2.442 38 N HA 0.196 4.937 4.740 0.001 0.000 0.265 38 N C -0.084 175.391 175.510 -0.059 0.000 1.138 38 N CA -0.031 52.978 53.050 -0.068 0.000 0.956 38 N CB 1.166 39.612 38.487 -0.068 0.000 1.067 38 N HN 0.682 nan 8.380 nan 0.000 0.474 39 T N -2.956 111.571 114.554 -0.045 0.000 2.938 39 T HA 0.319 4.670 4.350 0.001 0.000 0.285 39 T C 1.408 176.109 174.700 0.003 0.000 1.028 39 T CA -0.816 61.274 62.100 -0.017 0.000 1.005 39 T CB 0.824 69.690 68.868 -0.004 0.000 1.157 39 T HN 0.121 nan 8.240 nan 0.000 0.550 40 V N -0.994 118.933 119.914 0.022 0.000 3.141 40 V HA 0.219 4.340 4.120 0.001 0.000 0.265 40 V C 1.789 177.900 176.094 0.029 0.000 1.126 40 V CA 0.789 63.103 62.300 0.023 0.000 1.141 40 V CB -1.202 30.637 31.823 0.026 0.000 0.743 40 V HN 0.831 nan 8.190 nan 0.000 0.492 41 R N 0.699 121.225 120.500 0.043 0.000 2.432 41 R HA 0.531 4.872 4.340 0.001 0.000 0.260 41 R C 0.879 177.197 176.300 0.031 0.000 0.935 41 R CA 0.513 56.639 56.100 0.045 0.000 1.080 41 R CB 0.805 31.148 30.300 0.073 0.000 1.155 41 R HN 0.730 nan 8.270 nan 0.000 0.531 42 G N 1.618 110.426 108.800 0.014 0.000 2.422 42 G HA2 -0.149 3.811 3.960 0.001 0.000 0.607 42 G HA3 -0.149 3.811 3.960 0.001 0.000 0.607 42 G C -3.058 171.828 174.900 -0.024 0.000 1.270 42 G CA -1.258 43.841 45.100 -0.002 0.000 0.992 42 G HN -0.111 nan 8.290 nan 0.000 0.499 43 P HA 0.583 nan 4.420 nan 0.000 0.279 43 P C 0.021 177.279 177.300 -0.070 0.000 1.239 43 P CA -0.182 62.886 63.100 -0.054 0.000 0.789 43 P CB 0.945 32.619 31.700 -0.043 0.000 0.933 44 I N -1.211 119.293 120.570 -0.109 0.000 2.934 44 I HA 0.648 4.819 4.170 0.001 0.000 0.306 44 I C -0.011 176.042 176.117 -0.106 0.000 1.110 44 I CA -1.060 60.157 61.300 -0.139 0.000 1.019 44 I CB 2.396 40.212 38.000 -0.306 0.000 1.227 44 I HN 0.249 nan 8.210 nan 0.000 0.434 45 T N 0.981 115.486 114.554 -0.081 0.000 2.882 45 T HA 0.346 4.697 4.350 0.001 0.000 0.287 45 T C 1.382 176.045 174.700 -0.061 0.000 1.014 45 T CA -0.754 61.312 62.100 -0.057 0.000 1.049 45 T CB 1.120 69.968 68.868 -0.034 0.000 1.001 45 T HN 0.524 nan 8.240 nan 0.000 0.525 46 I N 1.582 122.125 120.570 -0.045 0.000 2.194 46 I HA -0.195 3.975 4.170 0.001 0.000 0.246 46 I C 2.772 178.877 176.117 -0.019 0.000 1.093 46 I CA 1.742 63.021 61.300 -0.035 0.000 1.355 46 I CB -2.150 35.834 38.000 -0.027 0.000 1.046 46 I HN 0.839 nan 8.210 nan 0.000 0.413 47 S N 0.454 116.148 115.700 -0.010 0.000 2.442 47 S HA -0.170 4.301 4.470 0.001 0.000 0.236 47 S C 1.739 176.352 174.600 0.022 0.000 1.007 47 S CA 0.957 59.161 58.200 0.007 0.000 0.965 47 S CB -0.473 62.731 63.200 0.008 0.000 0.773 47 S HN 0.541 nan 8.310 nan 0.000 0.504 48 E N 1.278 121.482 120.200 0.007 0.000 2.285 48 E HA 0.124 4.475 4.350 0.001 0.000 0.194 48 E C 2.254 178.890 176.600 0.060 0.000 0.997 48 E CA 0.544 56.965 56.400 0.035 0.000 0.845 48 E CB -0.255 29.432 29.700 -0.021 0.000 0.782 48 E HN 0.641 nan 8.360 nan 0.000 0.491 49 A N 1.308 124.134 122.820 0.011 0.000 1.908 49 A HA -0.008 4.313 4.320 0.001 0.000 0.218 49 A C 1.605 179.275 177.584 0.142 0.000 1.181 49 A CA 1.510 53.583 52.037 0.061 0.000 0.627 49 A CB -1.114 17.899 19.000 0.020 0.000 0.818 49 A HN 0.374 nan 8.150 nan 0.000 0.445 50 G N -1.422 107.444 108.800 0.110 0.000 2.578 50 G HA2 -0.245 3.716 3.960 0.001 0.000 0.275 50 G HA3 -0.245 3.716 3.960 0.001 0.000 0.275 50 G C 0.027 175.034 174.900 0.179 0.000 1.271 50 G CA 0.098 45.282 45.100 0.141 0.000 0.941 50 G HN 1.182 nan 8.290 nan 0.000 0.564 51 F N 2.999 122.977 119.950 0.048 0.000 2.538 51 F HA 0.493 5.021 4.527 0.001 0.000 0.382 51 F C 0.904 176.737 175.800 0.055 0.000 1.069 51 F CA 0.645 58.672 58.000 0.044 0.000 1.138 51 F CB 0.031 39.050 39.000 0.033 0.000 1.068 51 F HN 0.484 nan 8.300 nan 0.000 0.556 52 T N 7.625 122.308 114.554 0.216 0.000 2.841 52 T HA 0.474 4.824 4.350 0.001 0.000 0.283 52 T C -0.371 174.436 174.700 0.179 0.000 1.000 52 T CA -0.681 61.547 62.100 0.213 0.000 0.977 52 T CB 1.403 70.339 68.868 0.113 0.000 0.979 52 T HN 0.371 nan 8.240 nan 0.000 0.446 53 L N 3.434 124.785 121.223 0.212 0.000 2.255 53 L HA 0.295 4.635 4.340 0.001 0.000 0.289 53 L C 1.710 178.659 176.870 0.131 0.000 1.046 53 L CA -0.559 54.391 54.840 0.183 0.000 0.816 53 L CB 1.033 43.212 42.059 0.200 0.000 1.197 53 L HN 0.901 nan 8.230 nan 0.000 0.427 54 T N -1.825 112.796 114.554 0.112 0.000 3.148 54 T HA -0.058 4.292 4.350 0.001 0.000 0.253 54 T C 0.483 175.257 174.700 0.123 0.000 1.134 54 T CA 0.471 62.637 62.100 0.111 0.000 1.051 54 T CB -0.315 68.609 68.868 0.093 0.000 0.959 54 T HN 0.623 nan 8.240 nan 0.000 0.525 55 H N 0.346 119.423 119.070 0.011 0.000 3.198 55 H HA 0.430 4.987 4.556 0.001 0.000 0.317 55 H C -1.155 174.147 175.328 -0.043 0.000 1.178 55 H CA -0.599 55.427 56.048 -0.036 0.000 1.609 55 H CB 0.668 30.419 29.762 -0.018 0.000 1.819 55 H HN 0.059 nan 8.280 nan 0.000 0.533 56 E N 2.712 122.868 120.200 -0.072 0.000 2.460 56 E HA 0.366 4.717 4.350 0.001 0.000 0.277 56 E C -0.972 175.328 176.600 -0.499 0.000 1.010 56 E CA -0.947 55.416 56.400 -0.063 0.000 0.838 56 E CB 2.294 32.021 29.700 0.044 0.000 1.448 56 E HN 0.587 nan 8.360 nan 0.000 0.462 57 H N 0.283 119.326 119.070 -0.045 0.000 2.974 57 H HA 0.292 4.849 4.556 0.001 0.000 0.366 57 H C 0.730 175.995 175.328 -0.106 0.000 1.155 57 H CA -0.545 55.433 56.048 -0.118 0.000 1.186 57 H CB 1.823 31.456 29.762 -0.215 0.000 1.799 57 H HN 0.265 nan 8.280 nan 0.000 0.541 58 I N 0.494 121.119 120.570 0.092 0.000 2.400 58 I HA -0.052 4.119 4.170 0.001 0.000 0.248 58 I C 1.153 177.337 176.117 0.111 0.000 1.109 58 I CA 1.015 62.432 61.300 0.196 0.000 1.425 58 I CB 0.026 38.126 38.000 0.167 0.000 1.094 58 I HN 0.373 nan 8.210 nan 0.000 0.425 59 C N 0.256 119.560 119.300 0.007 0.000 2.686 59 C HA 0.757 5.218 4.460 0.001 0.000 0.318 59 C C 0.219 175.120 174.990 -0.148 0.000 1.160 59 C CA -0.559 58.416 59.018 -0.072 0.000 1.396 59 C CB 0.819 28.476 27.740 -0.139 0.000 1.924 59 C HN 0.502 nan 8.230 nan 0.000 0.471 60 G N 3.510 112.190 108.800 -0.200 0.000 2.468 60 G HA2 0.563 4.524 3.960 0.001 0.000 0.320 60 G HA3 0.563 4.524 3.960 0.001 0.000 0.320 60 G C -0.237 174.619 174.900 -0.073 0.000 1.137 60 G CA 0.202 45.096 45.100 -0.344 0.000 0.984 60 G HN 0.988 nan 8.290 nan 0.000 0.462 61 S N 1.121 116.733 115.700 -0.146 0.000 3.952 61 S HA 0.847 5.318 4.470 0.001 0.000 0.293 61 S C -0.166 174.335 174.600 -0.165 0.000 1.090 61 S CA -0.351 57.795 58.200 -0.089 0.000 1.264 61 S CB 1.183 64.438 63.200 0.091 0.000 1.393 61 S HN 0.569 nan 8.310 nan 0.000 0.757 62 S N 0.445 116.078 115.700 -0.112 0.000 2.588 62 S HA 0.759 5.230 4.470 0.001 0.000 0.275 62 S C -0.804 173.761 174.600 -0.058 0.000 1.130 62 S CA -0.276 57.869 58.200 -0.093 0.000 0.855 62 S CB 1.471 64.620 63.200 -0.085 0.000 1.116 62 S HN 1.050 nan 8.310 nan 0.000 0.472 63 A N 0.708 123.400 122.820 -0.214 0.000 2.580 63 A HA 0.452 4.773 4.320 0.001 0.000 0.244 63 A C 1.562 179.104 177.584 -0.070 0.000 1.045 63 A CA 0.760 52.594 52.037 -0.338 0.000 0.761 63 A CB -1.320 17.179 19.000 -0.835 0.000 0.962 63 A HN 2.111 nan 8.150 nan 0.000 0.512 64 G N 1.544 110.343 108.800 -0.001 0.000 2.189 64 G HA2 -0.385 3.576 3.960 0.001 0.000 0.267 64 G HA3 -0.385 3.576 3.960 0.001 0.000 0.267 64 G C 0.797 175.785 174.900 0.147 0.000 0.975 64 G CA 1.087 46.234 45.100 0.079 0.000 0.644 64 G HN 1.221 nan 8.290 nan 0.000 0.537 65 F N 0.407 120.388 119.950 0.051 0.000 2.113 65 F HA 0.156 4.684 4.527 0.002 0.000 0.297 65 F C 2.469 178.395 175.800 0.210 0.000 1.103 65 F CA 2.052 60.127 58.000 0.125 0.000 1.248 65 F CB -0.236 38.816 39.000 0.087 0.000 0.999 65 F HN 0.199 nan 8.300 nan 0.000 0.475 66 L N 0.984 122.409 121.223 0.337 0.000 2.081 66 L HA -0.206 4.135 4.340 0.001 0.000 0.212 66 L C 2.323 179.262 176.870 0.114 0.000 1.080 66 L CA 1.839 56.822 54.840 0.239 0.000 0.754 66 L CB -0.788 41.332 42.059 0.102 0.000 0.893 66 L HN 0.089 nan 8.230 nan 0.000 0.433 67 R N -1.265 119.283 120.500 0.080 0.000 2.119 67 R HA 0.053 4.394 4.340 0.001 0.000 0.222 67 R C 2.110 178.430 176.300 0.033 0.000 1.088 67 R CA 0.972 57.105 56.100 0.055 0.000 0.984 67 R CB -0.338 29.994 30.300 0.052 0.000 0.884 67 R HN 0.482 nan 8.270 nan 0.000 0.447 68 A N -0.584 122.236 122.820 -0.000 0.000 2.030 68 A HA -0.058 4.262 4.320 0.001 0.000 0.215 68 A C 0.507 178.075 177.584 -0.025 0.000 1.164 68 A CA 0.392 52.408 52.037 -0.035 0.000 0.697 68 A CB 0.116 19.082 19.000 -0.056 0.000 0.827 68 A HN 0.428 nan 8.150 nan 0.000 0.457 69 W N 1.005 122.095 121.300 -0.351 0.000 1.485 69 W HA 0.383 5.043 4.660 0.000 0.000 0.305 69 W C -2.573 173.870 176.519 -0.127 0.000 0.879 69 W CA -2.449 54.694 57.345 -0.335 0.000 1.822 69 W CB 0.948 29.985 29.460 -0.705 0.000 1.990 69 W HN 0.133 nan 8.180 nan 0.000 0.441 70 P HA -0.219 nan 4.420 nan 0.000 0.218 70 P C 0.951 178.438 177.300 0.311 0.000 1.148 70 P CA 1.912 65.192 63.100 0.299 0.000 0.822 70 P CB 0.468 32.280 31.700 0.187 0.000 0.784 71 E N -0.882 119.476 120.200 0.262 0.000 2.265 71 E HA -0.148 4.203 4.350 0.001 0.000 0.196 71 E C 1.664 178.258 176.600 -0.010 0.000 0.996 71 E CA 0.573 57.077 56.400 0.173 0.000 0.832 71 E CB -1.311 28.527 29.700 0.230 0.000 0.756 71 E HN 0.267 nan 8.360 nan 0.000 0.491 72 F N -0.085 119.611 119.950 -0.423 0.000 2.192 72 F HA -0.177 4.351 4.527 0.001 0.000 0.301 72 F C 0.897 176.350 175.800 -0.578 0.000 1.079 72 F CA 1.191 58.704 58.000 -0.812 0.000 1.303 72 F CB 0.046 38.292 39.000 -1.257 0.000 1.024 72 F HN -0.029 nan 8.300 nan 0.000 0.494 73 F N -0.055 119.898 119.950 0.005 0.000 2.668 73 F HA 0.386 4.913 4.527 0.001 0.000 0.297 73 F C 1.546 177.326 175.800 -0.033 0.000 1.124 73 F CA 0.392 58.392 58.000 -0.000 0.000 1.353 73 F CB 0.218 39.295 39.000 0.129 0.000 0.992 73 F HN 0.162 nan 8.300 nan 0.000 0.524 74 G N 0.705 109.534 108.800 0.049 0.000 4.365 74 G HA2 -0.254 3.707 3.960 0.001 0.000 0.214 74 G HA3 -0.254 3.707 3.960 0.001 0.000 0.214 74 G C 0.264 175.219 174.900 0.092 0.000 1.450 74 G CA 0.135 45.262 45.100 0.045 0.000 0.937 74 G HN 0.912 nan 8.290 nan 0.000 0.625 75 S N -1.348 114.433 115.700 0.134 0.000 2.627 75 S HA 0.647 5.117 4.470 0.001 0.000 0.268 75 S C 0.361 175.035 174.600 0.123 0.000 1.130 75 S CA 0.661 58.936 58.200 0.124 0.000 0.819 75 S CB 1.440 64.687 63.200 0.078 0.000 1.100 75 S HN 1.008 nan 8.310 nan 0.000 0.465 76 R N 0.885 121.442 120.500 0.095 0.000 2.092 76 R HA 0.013 4.353 4.340 0.001 0.000 0.231 76 R C 1.968 178.283 176.300 0.023 0.000 1.119 76 R CA 1.355 57.484 56.100 0.049 0.000 0.970 76 R CB -0.327 29.997 30.300 0.040 0.000 0.864 76 R HN 0.681 nan 8.270 nan 0.000 0.440 77 K N 0.134 120.552 120.400 0.030 0.000 2.057 77 K HA -0.108 4.213 4.320 0.001 0.000 0.207 77 K C 1.921 178.528 176.600 0.011 0.000 1.049 77 K CA 1.365 57.661 56.287 0.014 0.000 0.931 77 K CB -0.143 32.367 32.500 0.017 0.000 0.714 77 K HN 0.251 nan 8.250 nan 0.000 0.440 78 A N 1.522 124.360 122.820 0.029 0.000 1.883 78 A HA -0.189 4.132 4.320 0.001 0.000 0.217 78 A C 2.100 179.698 177.584 0.024 0.000 1.186 78 A CA 1.423 53.478 52.037 0.030 0.000 0.624 78 A CB -0.630 18.401 19.000 0.052 0.000 0.822 78 A HN 0.353 nan 8.150 nan 0.000 0.444 79 L N -0.142 121.102 121.223 0.035 0.000 2.012 79 L HA -0.106 4.234 4.340 0.001 0.000 0.210 79 L C 2.658 179.507 176.870 -0.035 0.000 1.073 79 L CA 2.457 57.304 54.840 0.012 0.000 0.748 79 L CB -0.841 41.189 42.059 -0.048 0.000 0.891 79 L HN 0.340 nan 8.230 nan 0.000 0.431 80 A N -0.860 121.934 122.820 -0.043 0.000 1.908 80 A HA -0.245 4.075 4.320 0.001 0.000 0.218 80 A C 2.175 179.701 177.584 -0.096 0.000 1.181 80 A CA 1.925 53.924 52.037 -0.064 0.000 0.627 80 A CB -0.700 18.274 19.000 -0.042 0.000 0.818 80 A HN 0.652 nan 8.150 nan 0.000 0.445 81 E N -0.564 119.594 120.200 -0.070 0.000 2.077 81 E HA -0.214 4.136 4.350 0.001 0.000 0.193 81 E C 2.119 178.644 176.600 -0.125 0.000 0.989 81 E CA 1.384 57.736 56.400 -0.079 0.000 0.800 81 E CB -0.146 29.529 29.700 -0.042 0.000 0.746 81 E HN 0.673 nan 8.360 nan 0.000 0.452 82 K N 0.803 121.135 120.400 -0.113 0.000 2.032 82 K HA -0.182 4.139 4.320 0.001 0.000 0.209 82 K C 2.140 178.469 176.600 -0.451 0.000 1.048 82 K CA 1.295 57.493 56.287 -0.148 0.000 0.927 82 K CB -0.127 32.365 32.500 -0.013 0.000 0.712 82 K HN 0.082 nan 8.250 nan 0.000 0.441 83 A N 0.627 123.117 122.820 -0.550 0.000 1.902 83 A HA -0.116 4.205 4.320 0.001 0.000 0.217 83 A C 2.254 179.426 177.584 -0.687 0.000 1.181 83 A CA 1.715 53.135 52.037 -1.027 0.000 0.623 83 A CB -0.678 18.063 19.000 -0.431 0.000 0.818 83 A HN 0.188 nan 8.150 nan 0.000 0.443 84 V N 0.085 119.796 119.914 -0.338 0.000 2.295 84 V HA -0.277 3.843 4.120 0.001 0.000 0.246 84 V C 2.664 178.640 176.094 -0.197 0.000 1.049 84 V CA 2.230 64.405 62.300 -0.208 0.000 1.024 84 V CB -0.827 30.920 31.823 -0.127 0.000 0.648 84 V HN 0.515 nan 8.190 nan 0.000 0.447 85 R N 0.051 120.431 120.500 -0.199 0.000 2.083 85 R HA -0.140 4.201 4.340 0.001 0.000 0.237 85 R C 2.493 178.717 176.300 -0.127 0.000 1.137 85 R CA 1.650 57.670 56.100 -0.133 0.000 0.951 85 R CB -0.979 29.261 30.300 -0.100 0.000 0.851 85 R HN 0.597 nan 8.270 nan 0.000 0.434 86 G N 1.159 109.818 108.800 -0.236 0.000 2.418 86 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 86 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 86 G C 1.478 176.394 174.900 0.026 0.000 1.158 86 G CA 0.473 45.538 45.100 -0.059 0.000 0.771 86 G HN 0.143 nan 8.290 nan 0.000 0.545 87 L N -0.291 120.886 121.223 -0.078 0.000 2.141 87 L HA 0.000 4.341 4.340 0.001 0.000 0.209 87 L C 3.137 179.998 176.870 -0.015 0.000 1.094 87 L CA 0.745 55.597 54.840 0.020 0.000 0.763 87 L CB -0.258 41.797 42.059 -0.006 0.000 0.908 87 L HN 0.150 nan 8.230 nan 0.000 0.437 88 R N -0.342 120.128 120.500 -0.049 0.000 2.115 88 R HA -0.089 4.251 4.340 0.001 0.000 0.230 88 R C 2.392 178.669 176.300 -0.040 0.000 1.111 88 R CA 0.891 56.963 56.100 -0.047 0.000 0.976 88 R CB -0.213 30.055 30.300 -0.053 0.000 0.870 88 R HN 0.350 nan 8.270 nan 0.000 0.445 89 R N 0.316 120.799 120.500 -0.027 0.000 2.092 89 R HA -0.032 4.309 4.340 0.001 0.000 0.231 89 R C 2.293 178.571 176.300 -0.037 0.000 1.119 89 R CA 1.292 57.377 56.100 -0.025 0.000 0.970 89 R CB -0.260 30.036 30.300 -0.007 0.000 0.864 89 R HN 0.182 nan 8.270 nan 0.000 0.440 90 A N 1.090 123.900 122.820 -0.015 0.000 1.930 90 A HA -0.168 4.152 4.320 0.001 0.000 0.217 90 A C 2.130 179.657 177.584 -0.094 0.000 1.175 90 A CA 1.152 53.163 52.037 -0.043 0.000 0.627 90 A CB -0.404 18.607 19.000 0.018 0.000 0.815 90 A HN 0.204 nan 8.150 nan 0.000 0.443 91 R N -0.327 120.133 120.500 -0.067 0.000 2.073 91 R HA -0.110 4.231 4.340 0.001 0.000 0.234 91 R C 2.298 178.541 176.300 -0.095 0.000 1.134 91 R CA 1.436 57.487 56.100 -0.082 0.000 0.952 91 R CB -0.424 29.838 30.300 -0.064 0.000 0.850 91 R HN 0.431 nan 8.270 nan 0.000 0.433 92 A N 0.575 123.348 122.820 -0.079 0.000 1.940 92 A HA -0.143 4.177 4.320 0.001 0.000 0.219 92 A C 2.229 179.755 177.584 -0.097 0.000 1.176 92 A CA 1.791 53.784 52.037 -0.074 0.000 0.631 92 A CB -0.679 18.287 19.000 -0.058 0.000 0.814 92 A HN 0.539 nan 8.150 nan 0.000 0.446 93 A N -2.364 120.380 122.820 -0.127 0.000 2.167 93 A HA 0.391 4.711 4.320 0.001 0.000 0.214 93 A C 1.820 179.249 177.584 -0.259 0.000 1.151 93 A CA 1.432 53.366 52.037 -0.172 0.000 0.735 93 A CB -0.636 18.256 19.000 -0.180 0.000 0.802 93 A HN 1.839 nan 8.150 nan 0.000 0.467 94 G N -2.293 106.351 108.800 -0.261 0.000 2.229 94 G HA2 -0.150 3.811 3.960 0.001 0.000 0.189 94 G HA3 -0.150 3.811 3.960 0.001 0.000 0.189 94 G C 0.122 174.755 174.900 -0.445 0.000 1.000 94 G CA -0.087 44.823 45.100 -0.317 0.000 0.663 94 G HN 0.658 nan 8.290 nan 0.000 0.493 95 V N 2.216 121.858 119.914 -0.454 0.000 2.521 95 V HA 0.373 4.494 4.120 0.001 0.000 0.286 95 V C 1.544 177.604 176.094 -0.056 0.000 1.034 95 V CA 0.100 62.221 62.300 -0.298 0.000 1.045 95 V CB 1.354 33.074 31.823 -0.172 0.000 0.974 95 V HN 0.295 nan 8.190 nan 0.000 0.480 96 R N 2.151 122.701 120.500 0.083 0.000 2.167 96 R HA 0.239 4.579 4.340 0.001 0.000 0.201 96 R C 0.413 176.791 176.300 0.129 0.000 1.024 96 R CA 0.480 56.633 56.100 0.089 0.000 1.053 96 R CB 0.384 30.779 30.300 0.158 0.000 0.987 96 R HN 0.699 nan 8.270 nan 0.000 0.493 97 T N 1.447 116.117 114.554 0.193 0.000 2.909 97 T HA 0.630 4.981 4.350 0.001 0.000 0.299 97 T C -0.360 174.441 174.700 0.168 0.000 1.073 97 T CA -0.642 61.580 62.100 0.203 0.000 0.999 97 T CB 2.371 71.369 68.868 0.217 0.000 1.098 97 T HN 0.176 nan 8.240 nan 0.000 0.477 98 I N -1.115 119.537 120.570 0.137 0.000 2.647 98 I HA 0.864 5.035 4.170 0.001 0.000 0.295 98 I C -1.304 174.855 176.117 0.071 0.000 1.078 98 I CA -1.271 60.096 61.300 0.112 0.000 1.048 98 I CB 2.005 40.072 38.000 0.111 0.000 1.239 98 I HN 0.317 nan 8.210 nan 0.000 0.421 99 V N 4.203 124.143 119.914 0.043 0.000 2.328 99 V HA 0.272 4.392 4.120 0.001 0.000 0.278 99 V C -0.399 175.642 176.094 -0.088 0.000 1.021 99 V CA -0.205 62.089 62.300 -0.010 0.000 0.838 99 V CB 0.954 32.780 31.823 0.004 0.000 0.999 99 V HN 0.757 nan 8.190 nan 0.000 0.447 100 D N 4.459 124.799 120.400 -0.100 0.000 2.380 100 D HA 0.121 4.762 4.640 0.001 0.000 0.230 100 D C 0.838 176.989 176.300 -0.247 0.000 1.154 100 D CA -0.324 53.568 54.000 -0.180 0.000 0.859 100 D CB 1.852 42.604 40.800 -0.080 0.000 1.045 100 D HN 0.447 nan 8.370 nan 0.000 0.495 101 V N 1.649 121.283 119.914 -0.467 0.000 3.544 101 V HA 0.182 4.302 4.120 0.001 0.000 0.304 101 V C 0.495 176.445 176.094 -0.239 0.000 1.256 101 V CA -0.498 61.562 62.300 -0.399 0.000 1.232 101 V CB -0.998 30.477 31.823 -0.580 0.000 1.065 101 V HN 0.289 nan 8.190 nan 0.000 0.423 102 S N 2.583 118.198 115.700 -0.141 0.000 2.510 102 S HA 0.415 4.886 4.470 0.001 0.000 0.279 102 S C 0.807 175.385 174.600 -0.037 0.000 1.284 102 S CA 0.277 58.456 58.200 -0.035 0.000 1.059 102 S CB 0.766 63.969 63.200 0.005 0.000 0.901 102 S HN 0.893 nan 8.310 nan 0.000 0.491 103 T N 0.332 114.870 114.554 -0.026 0.000 2.884 103 T HA 0.435 4.786 4.350 0.001 0.000 0.277 103 T C 0.932 175.726 174.700 0.156 0.000 0.976 103 T CA -0.852 61.308 62.100 0.100 0.000 0.956 103 T CB 0.196 69.171 68.868 0.179 0.000 1.113 103 T HN 0.383 nan 8.240 nan 0.000 0.554 104 F N 1.987 122.037 119.950 0.167 0.000 2.120 104 F HA -0.178 4.350 4.527 0.001 0.000 0.300 104 F C 1.995 177.874 175.800 0.133 0.000 1.095 104 F CA 2.356 60.468 58.000 0.187 0.000 1.249 104 F CB -0.476 38.711 39.000 0.311 0.000 0.995 104 F HN 0.721 nan 8.300 nan 0.000 0.480 105 D N 0.085 120.545 120.400 0.101 0.000 2.363 105 D HA -0.128 4.513 4.640 0.001 0.000 0.220 105 D C 1.830 178.091 176.300 -0.064 0.000 0.994 105 D CA 0.810 54.795 54.000 -0.024 0.000 0.890 105 D CB -0.850 40.094 40.800 0.240 0.000 0.906 105 D HN 0.496 nan 8.370 nan 0.000 0.530 106 I N 0.176 120.649 120.570 -0.162 0.000 3.793 106 I HA 0.140 4.310 4.170 0.001 0.000 0.315 106 I C 1.347 177.322 176.117 -0.236 0.000 1.275 106 I CA 0.351 61.424 61.300 -0.379 0.000 1.214 106 I CB -0.092 37.566 38.000 -0.571 0.000 1.018 106 I HN 0.147 nan 8.210 nan 0.000 0.439 107 G N 2.420 111.110 108.800 -0.183 0.000 2.176 107 G HA2 -0.324 3.637 3.960 0.001 0.000 0.252 107 G HA3 -0.324 3.637 3.960 0.001 0.000 0.252 107 G C 0.519 175.383 174.900 -0.061 0.000 1.024 107 G CA -0.045 44.983 45.100 -0.119 0.000 0.755 107 G HN 0.492 nan 8.290 nan 0.000 0.507 108 R N 0.520 120.990 120.500 -0.048 0.000 2.494 108 R HA 0.150 4.491 4.340 0.001 0.000 0.291 108 R C -0.978 175.336 176.300 0.024 0.000 0.953 108 R CA 0.717 56.815 56.100 -0.004 0.000 1.098 108 R CB 0.250 30.571 30.300 0.035 0.000 0.911 108 R HN 0.145 nan 8.270 nan 0.000 0.407 109 D N 5.361 125.770 120.400 0.016 0.000 2.438 109 D HA 0.034 4.675 4.640 0.001 0.000 0.257 109 D C 1.347 177.664 176.300 0.028 0.000 1.148 109 D CA -0.490 53.527 54.000 0.028 0.000 0.902 109 D CB 1.397 42.204 40.800 0.012 0.000 1.062 109 D HN 0.387 nan 8.370 nan 0.000 0.518 110 V N 2.357 122.296 119.914 0.042 0.000 2.469 110 V HA -0.220 3.901 4.120 0.001 0.000 0.251 110 V C 2.126 178.237 176.094 0.028 0.000 1.064 110 V CA 2.222 64.542 62.300 0.034 0.000 1.066 110 V CB -1.209 30.636 31.823 0.037 0.000 0.667 110 V HN 0.503 nan 8.190 nan 0.000 0.461 111 S N 1.417 117.135 115.700 0.030 0.000 2.368 111 S HA -0.227 4.243 4.470 0.001 0.000 0.225 111 S C 1.997 176.606 174.600 0.015 0.000 1.030 111 S CA 1.780 59.994 58.200 0.024 0.000 0.999 111 S CB -0.857 62.359 63.200 0.027 0.000 0.844 111 S HN 0.619 nan 8.310 nan 0.000 0.459 112 L N 0.862 122.092 121.223 0.011 0.000 2.046 112 L HA 0.065 4.406 4.340 0.001 0.000 0.208 112 L C 2.198 179.071 176.870 0.005 0.000 1.077 112 L CA 1.521 56.361 54.840 0.000 0.000 0.747 112 L CB -0.909 41.141 42.059 -0.014 0.000 0.896 112 L HN 0.272 nan 8.230 nan 0.000 0.432 113 L N 0.050 121.281 121.223 0.013 0.000 2.012 113 L HA -0.142 4.198 4.340 0.001 0.000 0.210 113 L C 2.735 179.617 176.870 0.019 0.000 1.073 113 L CA 2.064 56.916 54.840 0.021 0.000 0.748 113 L CB -1.745 40.328 42.059 0.022 0.000 0.891 113 L HN 0.374 nan 8.230 nan 0.000 0.431 114 A N -0.817 122.013 122.820 0.018 0.000 1.902 114 A HA -0.261 4.060 4.320 0.001 0.000 0.217 114 A C 2.351 179.942 177.584 0.011 0.000 1.181 114 A CA 1.793 53.841 52.037 0.018 0.000 0.623 114 A CB -0.593 18.418 19.000 0.019 0.000 0.818 114 A HN 0.540 nan 8.150 nan 0.000 0.443 115 E N 0.337 120.540 120.200 0.006 0.000 2.031 115 E HA -0.164 4.187 4.350 0.001 0.000 0.193 115 E C 1.990 178.584 176.600 -0.010 0.000 0.994 115 E CA 2.167 58.566 56.400 -0.002 0.000 0.800 115 E CB -0.339 29.358 29.700 -0.004 0.000 0.752 115 E HN 0.550 nan 8.360 nan 0.000 0.447 116 V N -0.450 119.457 119.914 -0.013 0.000 2.490 116 V HA -0.184 3.937 4.120 0.001 0.000 0.250 116 V C 2.383 178.466 176.094 -0.018 0.000 1.061 116 V CA 2.190 64.475 62.300 -0.026 0.000 1.064 116 V CB -0.689 31.112 31.823 -0.036 0.000 0.670 116 V HN 0.307 nan 8.190 nan 0.000 0.461 117 S N 0.370 116.070 115.700 -0.000 0.000 2.368 117 S HA -0.194 4.277 4.470 0.001 0.000 0.225 117 S C 2.223 176.815 174.600 -0.014 0.000 1.030 117 S CA 1.810 60.011 58.200 0.002 0.000 0.999 117 S CB -0.390 62.826 63.200 0.027 0.000 0.844 117 S HN 0.715 nan 8.310 nan 0.000 0.459 118 R N 0.574 121.069 120.500 -0.008 0.000 2.066 118 R HA 0.044 4.384 4.340 0.001 0.000 0.232 118 R C 2.694 178.980 176.300 -0.024 0.000 1.131 118 R CA 1.362 57.455 56.100 -0.012 0.000 0.955 118 R CB -0.646 29.651 30.300 -0.003 0.000 0.851 118 R HN 0.493 nan 8.270 nan 0.000 0.432 119 A N 0.730 123.534 122.820 -0.027 0.000 1.972 119 A HA -0.052 4.269 4.320 0.001 0.000 0.219 119 A C 2.110 179.668 177.584 -0.044 0.000 1.169 119 A CA 1.713 53.730 52.037 -0.034 0.000 0.635 119 A CB -0.310 18.668 19.000 -0.037 0.000 0.810 119 A HN 0.414 nan 8.150 nan 0.000 0.446 120 A N -1.824 120.966 122.820 -0.049 0.000 2.220 120 A HA 0.353 4.674 4.320 0.001 0.000 0.211 120 A C 0.734 178.280 177.584 -0.063 0.000 1.176 120 A CA 1.035 53.038 52.037 -0.056 0.000 0.834 120 A CB -0.043 18.923 19.000 -0.057 0.000 0.868 120 A HN 0.511 nan 8.150 nan 0.000 0.488 121 D N -1.125 119.235 120.400 -0.067 0.000 2.716 121 D HA -0.122 4.518 4.640 0.001 0.000 0.239 121 D C -0.834 175.374 176.300 -0.152 0.000 1.125 121 D CA 0.851 54.791 54.000 -0.099 0.000 0.681 121 D CB -1.564 39.185 40.800 -0.085 0.000 1.070 121 D HN 0.206 nan 8.370 nan 0.000 0.432 122 V N 2.364 122.197 119.914 -0.134 0.000 2.588 122 V HA 0.342 4.463 4.120 0.001 0.000 0.304 122 V C 0.318 176.345 176.094 -0.112 0.000 1.042 122 V CA -0.950 61.263 62.300 -0.144 0.000 0.877 122 V CB 1.966 33.765 31.823 -0.041 0.000 0.996 122 V HN 0.231 nan 8.190 nan 0.000 0.425 123 H N 4.693 123.779 119.070 0.027 0.000 2.764 123 H HA 0.464 5.021 4.556 0.001 0.000 0.341 123 H C -0.404 174.941 175.328 0.028 0.000 1.072 123 H CA 0.272 56.334 56.048 0.024 0.000 1.444 123 H CB 1.050 30.827 29.762 0.025 0.000 1.458 123 H HN 0.424 nan 8.280 nan 0.000 0.572 124 I N 3.151 123.813 120.570 0.153 0.000 2.447 124 I HA 0.113 4.284 4.170 0.001 0.000 0.287 124 I C -0.299 175.849 176.117 0.051 0.000 1.023 124 I CA -0.775 60.576 61.300 0.086 0.000 1.083 124 I CB 2.076 40.113 38.000 0.062 0.000 1.245 124 I HN 0.128 nan 8.210 nan 0.000 0.434 125 V N 5.642 125.571 119.914 0.026 0.000 2.407 125 V HA 0.587 4.708 4.120 0.001 0.000 0.278 125 V C 0.609 176.685 176.094 -0.030 0.000 1.037 125 V CA -0.349 61.945 62.300 -0.011 0.000 0.900 125 V CB 1.396 33.204 31.823 -0.025 0.000 0.983 125 V HN 0.840 nan 8.190 nan 0.000 0.459 126 A N 4.308 127.106 122.820 -0.036 0.000 2.252 126 A HA 0.963 5.283 4.320 0.001 0.000 0.305 126 A C 0.106 177.651 177.584 -0.066 0.000 1.097 126 A CA -0.039 51.973 52.037 -0.042 0.000 0.849 126 A CB 1.197 20.183 19.000 -0.024 0.000 1.142 126 A HN 1.260 nan 8.150 nan 0.000 0.499 127 A N -0.509 122.272 122.820 -0.066 0.000 2.430 127 A HA 0.835 5.156 4.320 0.001 0.000 0.300 127 A C -0.043 177.501 177.584 -0.067 0.000 1.124 127 A CA -0.013 51.973 52.037 -0.085 0.000 0.766 127 A CB 1.403 20.346 19.000 -0.095 0.000 1.328 127 A HN 1.199 nan 8.150 nan 0.000 0.424 128 T N -1.418 113.065 114.554 -0.119 0.000 2.807 128 T HA 0.800 5.151 4.350 0.001 0.000 0.277 128 T C 0.314 174.873 174.700 -0.235 0.000 1.006 128 T CA 0.915 62.933 62.100 -0.137 0.000 1.006 128 T CB 1.189 69.931 68.868 -0.211 0.000 1.274 128 T HN 2.694 nan 8.240 nan 0.000 0.569 129 G N -0.097 108.463 108.800 -0.401 0.000 2.409 129 G HA2 0.125 4.086 3.960 0.001 0.000 0.421 129 G HA3 0.125 4.086 3.960 0.001 0.000 0.421 129 G C -1.905 173.047 174.900 0.087 0.000 1.259 129 G CA -0.391 44.330 45.100 -0.632 0.000 1.011 129 G HN 0.881 nan 8.290 nan 0.000 0.497 130 L N -1.265 120.086 121.223 0.213 0.000 2.434 130 L HA 0.677 5.017 4.340 0.001 0.000 0.260 130 L C 0.014 177.116 176.870 0.386 0.000 0.983 130 L CA -0.762 54.320 54.840 0.404 0.000 0.820 130 L CB 2.329 44.694 42.059 0.511 0.000 1.361 130 L HN 0.845 nan 8.230 nan 0.000 0.410 131 W N 1.891 123.275 121.300 0.139 0.000 1.941 131 W HA 0.342 5.003 4.660 0.001 0.000 0.629 131 W C 0.709 177.287 176.519 0.098 0.000 1.517 131 W CA -0.109 57.254 57.345 0.030 0.000 1.502 131 W CB 0.300 29.662 29.460 -0.163 0.000 3.266 131 W HN 0.328 nan 8.180 nan 0.000 0.765 132 F N 0.692 120.357 119.950 -0.474 0.000 2.668 132 F HA 0.319 4.847 4.527 0.001 0.000 0.297 132 F C 0.192 175.821 175.800 -0.285 0.000 1.124 132 F CA -0.431 57.292 58.000 -0.462 0.000 1.353 132 F CB -0.452 38.155 39.000 -0.655 0.000 0.992 132 F HN 0.015 nan 8.300 nan 0.000 0.524 133 D N 2.096 122.476 120.400 -0.033 0.000 2.957 133 D HA 0.253 4.893 4.640 0.001 0.000 0.352 133 D C -2.802 173.588 176.300 0.150 0.000 1.352 133 D CA -2.087 51.961 54.000 0.080 0.000 0.831 133 D CB 0.594 41.477 40.800 0.139 0.000 1.147 133 D HN 0.032 nan 8.370 nan 0.000 0.467 134 P HA 0.266 nan 4.420 nan 0.000 0.276 134 P C -2.618 174.726 177.300 0.073 0.000 1.230 134 P CA -1.159 62.047 63.100 0.177 0.000 0.776 134 P CB 0.777 32.590 31.700 0.189 0.000 0.888 135 P HA 0.226 nan 4.420 nan 0.000 0.278 135 P C 1.350 178.639 177.300 -0.019 0.000 1.266 135 P CA -0.532 62.604 63.100 0.059 0.000 0.807 135 P CB 1.042 32.816 31.700 0.123 0.000 1.094 136 L N 0.145 121.349 121.223 -0.033 0.000 2.051 136 L HA -0.239 4.102 4.340 0.001 0.000 0.214 136 L C 2.376 179.202 176.870 -0.073 0.000 1.076 136 L CA 1.959 56.758 54.840 -0.069 0.000 0.758 136 L CB -0.907 41.129 42.059 -0.040 0.000 0.890 136 L HN 0.385 nan 8.230 nan 0.000 0.433 137 S N -1.040 114.638 115.700 -0.037 0.000 2.442 137 S HA -0.121 4.350 4.470 0.001 0.000 0.236 137 S C 1.844 176.388 174.600 -0.094 0.000 1.007 137 S CA 1.093 59.260 58.200 -0.055 0.000 0.965 137 S CB -0.027 63.148 63.200 -0.041 0.000 0.773 137 S HN 0.319 nan 8.310 nan 0.000 0.504 138 M N 0.506 120.052 119.600 -0.091 0.000 2.556 138 M HA 0.197 4.678 4.480 0.001 0.000 0.264 138 M C 1.997 178.215 176.300 -0.136 0.000 1.163 138 M CA 0.774 56.024 55.300 -0.083 0.000 1.186 138 M CB -0.887 31.715 32.600 0.003 0.000 1.321 138 M HN 0.175 nan 8.290 nan 0.000 0.485 139 R N 0.574 120.836 120.500 -0.397 0.000 2.139 139 R HA -0.080 4.260 4.340 0.001 0.000 0.243 139 R C 1.779 177.812 176.300 -0.444 0.000 1.145 139 R CA 1.056 56.627 56.100 -0.882 0.000 0.976 139 R CB -0.424 29.512 30.300 -0.606 0.000 0.866 139 R HN 0.342 nan 8.270 nan 0.000 0.449 140 L N 0.588 121.704 121.223 -0.178 0.000 2.591 140 L HA 0.075 4.416 4.340 0.001 0.000 0.228 140 L C 0.481 177.361 176.870 0.018 0.000 1.133 140 L CA -0.057 54.748 54.840 -0.058 0.000 0.880 140 L CB -0.063 41.964 42.059 -0.053 0.000 1.033 140 L HN -0.013 nan 8.230 nan 0.000 0.450 141 R N 0.791 121.333 120.500 0.070 0.000 2.531 141 R HA 0.265 4.606 4.340 0.001 0.000 0.273 141 R C 0.510 176.882 176.300 0.120 0.000 1.070 141 R CA -0.075 56.071 56.100 0.076 0.000 1.112 141 R CB 1.213 31.537 30.300 0.041 0.000 1.049 141 R HN 0.091 nan 8.270 nan 0.000 0.508 142 S N -0.258 115.473 115.700 0.052 0.000 2.645 142 S HA 0.047 4.518 4.470 0.001 0.000 0.266 142 S C 1.308 175.908 174.600 0.001 0.000 1.258 142 S CA -0.648 57.574 58.200 0.037 0.000 0.990 142 S CB 1.189 64.400 63.200 0.019 0.000 0.967 142 S HN 0.407 nan 8.310 nan 0.000 0.556 143 V N 1.290 121.197 119.914 -0.011 0.000 2.392 143 V HA -0.174 3.947 4.120 0.001 0.000 0.249 143 V C 2.275 178.339 176.094 -0.050 0.000 1.059 143 V CA 2.643 64.918 62.300 -0.042 0.000 1.051 143 V CB -1.236 30.573 31.823 -0.022 0.000 0.658 143 V HN 0.957 nan 8.190 nan 0.000 0.455 144 E N 0.274 120.459 120.200 -0.025 0.000 2.051 144 E HA -0.218 4.133 4.350 0.001 0.000 0.192 144 E C 2.120 178.700 176.600 -0.035 0.000 0.991 144 E CA 1.910 58.297 56.400 -0.021 0.000 0.799 144 E CB -0.286 29.412 29.700 -0.004 0.000 0.748 144 E HN 0.771 nan 8.360 nan 0.000 0.449 145 E N 0.647 120.827 120.200 -0.033 0.000 2.051 145 E HA -0.176 4.175 4.350 0.001 0.000 0.192 145 E C 2.204 178.754 176.600 -0.083 0.000 0.991 145 E CA 0.994 57.372 56.400 -0.036 0.000 0.799 145 E CB -0.280 29.405 29.700 -0.025 0.000 0.748 145 E HN 0.216 nan 8.360 nan 0.000 0.449 146 L N 1.025 122.152 121.223 -0.160 0.000 2.079 146 L HA -0.194 4.146 4.340 0.001 0.000 0.210 146 L C 2.600 179.137 176.870 -0.555 0.000 1.081 146 L CA 1.353 55.954 54.840 -0.398 0.000 0.752 146 L CB -0.870 40.913 42.059 -0.459 0.000 0.896 146 L HN 0.188 nan 8.230 nan 0.000 0.433 147 T N -1.270 113.116 114.554 -0.279 0.000 2.720 147 T HA -0.203 4.147 4.350 0.001 0.000 0.268 147 T C 1.955 176.613 174.700 -0.070 0.000 1.037 147 T CA 1.071 63.084 62.100 -0.145 0.000 1.144 147 T CB -0.145 68.701 68.868 -0.036 0.000 0.864 147 T HN 0.272 nan 8.240 nan 0.000 0.444 148 Q N 0.272 120.048 119.800 -0.040 0.000 2.050 148 Q HA -0.028 4.313 4.340 0.001 0.000 0.202 148 Q C 2.051 178.086 176.000 0.058 0.000 0.980 148 Q CA 1.342 57.160 55.803 0.024 0.000 0.840 148 Q CB -0.806 27.957 28.738 0.042 0.000 0.898 148 Q HN 0.630 nan 8.270 nan 0.000 0.424 149 F N 0.526 120.408 119.950 -0.114 0.000 2.095 149 F HA -0.253 4.274 4.527 0.001 0.000 0.298 149 F C 1.781 177.647 175.800 0.109 0.000 1.104 149 F CA 1.176 59.144 58.000 -0.053 0.000 1.232 149 F CB -0.155 38.768 39.000 -0.128 0.000 0.987 149 F HN -0.043 nan 8.300 nan 0.000 0.475 150 F N 0.745 120.643 119.950 -0.087 0.000 2.134 150 F HA -0.158 4.370 4.527 0.001 0.000 0.299 150 F C 2.202 177.868 175.800 -0.223 0.000 1.097 150 F CA 0.988 58.870 58.000 -0.196 0.000 1.264 150 F CB -1.555 37.427 39.000 -0.030 0.000 1.001 150 F HN 0.028 nan 8.300 nan 0.000 0.479 151 L N -0.466 120.773 121.223 0.027 0.000 2.093 151 L HA -0.158 4.183 4.340 0.001 0.000 0.208 151 L C 2.687 179.438 176.870 -0.198 0.000 1.085 151 L CA 1.124 55.911 54.840 -0.088 0.000 0.755 151 L CB -0.619 41.400 42.059 -0.068 0.000 0.904 151 L HN 0.047 nan 8.230 nan 0.000 0.435 152 R N 0.862 121.292 120.500 -0.117 0.000 2.094 152 R HA -0.217 4.124 4.340 0.001 0.000 0.239 152 R C 2.031 178.249 176.300 -0.136 0.000 1.137 152 R CA 2.021 58.096 56.100 -0.043 0.000 0.943 152 R CB -0.252 30.066 30.300 0.030 0.000 0.850 152 R HN 0.417 nan 8.270 nan 0.000 0.433 153 E N -0.067 119.984 120.200 -0.248 0.000 2.204 153 E HA -0.183 4.168 4.350 0.001 0.000 0.195 153 E C 2.048 178.550 176.600 -0.162 0.000 0.990 153 E CA 1.372 57.640 56.400 -0.219 0.000 0.821 153 E CB -0.041 29.462 29.700 -0.329 0.000 0.750 153 E HN 0.503 nan 8.360 nan 0.000 0.477 154 I N 0.420 120.878 120.570 -0.187 0.000 2.494 154 I HA -0.184 3.987 4.170 0.001 0.000 0.250 154 I C 2.356 178.344 176.117 -0.215 0.000 1.112 154 I CA 0.767 61.961 61.300 -0.176 0.000 1.438 154 I CB 0.050 37.950 38.000 -0.165 0.000 1.111 154 I HN -0.004 nan 8.210 nan 0.000 0.431 155 Q N -0.428 119.154 119.800 -0.362 0.000 2.134 155 Q HA -0.045 4.295 4.340 0.001 0.000 0.195 155 Q C 1.894 177.619 176.000 -0.457 0.000 0.958 155 Q CA 1.368 56.844 55.803 -0.545 0.000 0.840 155 Q CB 0.061 28.232 28.738 -0.944 0.000 0.918 155 Q HN 0.534 nan 8.270 nan 0.000 0.467 156 Y N -0.454 119.824 120.300 -0.036 0.000 2.343 156 Y HA 0.277 4.828 4.550 0.001 0.000 0.294 156 Y C 1.131 177.015 175.900 -0.027 0.000 1.122 156 Y CA 0.012 58.096 58.100 -0.027 0.000 1.173 156 Y CB 0.842 39.288 38.460 -0.022 0.000 1.077 156 Y HN 0.158 nan 8.280 nan 0.000 0.542 157 G N 0.453 109.300 108.800 0.078 0.000 2.357 157 G HA2 -0.017 3.944 3.960 0.001 0.000 0.643 157 G HA3 -0.017 3.944 3.960 0.001 0.000 0.643 157 G C -1.444 173.473 174.900 0.028 0.000 1.358 157 G CA -1.124 43.997 45.100 0.036 0.000 0.986 157 G HN 0.026 nan 8.290 nan 0.000 0.620 158 I N 1.933 122.516 120.570 0.022 0.000 2.441 158 I HA 0.348 4.519 4.170 0.001 0.000 0.287 158 I C 1.196 177.355 176.117 0.071 0.000 1.049 158 I CA 0.309 61.633 61.300 0.040 0.000 1.381 158 I CB 0.871 38.896 38.000 0.042 0.000 1.409 158 I HN 0.969 nan 8.210 nan 0.000 0.523 159 E N 3.489 123.749 120.200 0.100 0.000 3.304 159 E HA -0.329 4.022 4.350 0.001 0.000 0.365 159 E C 0.091 176.739 176.600 0.081 0.000 1.512 159 E CA 1.883 58.348 56.400 0.109 0.000 1.642 159 E CB -0.473 29.296 29.700 0.114 0.000 1.738 159 E HN 0.943 nan 8.360 nan 0.000 0.483 160 D N 0.021 120.462 120.400 0.069 0.000 2.462 160 D HA 0.041 4.682 4.640 0.001 0.000 0.221 160 D C 1.048 177.375 176.300 0.045 0.000 1.173 160 D CA 0.941 54.973 54.000 0.053 0.000 0.831 160 D CB -0.081 40.747 40.800 0.046 0.000 1.001 160 D HN 0.406 nan 8.370 nan 0.000 0.499 161 T N -4.079 110.503 114.554 0.048 0.000 3.067 161 T HA 0.283 4.634 4.350 0.001 0.000 0.257 161 T C 1.863 176.584 174.700 0.035 0.000 1.105 161 T CA 0.852 62.976 62.100 0.040 0.000 1.104 161 T CB -0.181 68.711 68.868 0.040 0.000 0.925 161 T HN 0.327 nan 8.240 nan 0.000 0.498 162 G N 1.415 110.239 108.800 0.041 0.000 2.205 162 G HA2 -0.230 3.731 3.960 0.001 0.000 0.261 162 G HA3 -0.230 3.731 3.960 0.001 0.000 0.261 162 G C 0.083 175.000 174.900 0.028 0.000 0.980 162 G CA 0.189 45.312 45.100 0.039 0.000 0.632 162 G HN 0.667 nan 8.290 nan 0.000 0.533 163 I N 1.591 122.175 120.570 0.023 0.000 2.452 163 I HA 0.301 4.471 4.170 0.001 0.000 0.287 163 I C 1.040 177.156 176.117 -0.002 0.000 1.079 163 I CA -0.295 61.012 61.300 0.011 0.000 1.387 163 I CB 0.655 38.664 38.000 0.015 0.000 1.404 163 I HN 0.059 nan 8.210 nan 0.000 0.522 164 R N 4.948 125.437 120.500 -0.018 0.000 2.368 164 R HA 0.624 4.964 4.340 0.001 0.000 0.302 164 R C -0.151 176.114 176.300 -0.059 0.000 1.002 164 R CA -0.684 55.390 56.100 -0.044 0.000 0.929 164 R CB 1.448 31.716 30.300 -0.052 0.000 1.073 164 R HN 0.725 nan 8.270 nan 0.000 0.464 165 A N 1.332 124.104 122.820 -0.080 0.000 2.445 165 A HA 0.335 4.655 4.320 0.001 0.000 0.242 165 A C 1.025 178.545 177.584 -0.106 0.000 1.075 165 A CA 0.084 52.066 52.037 -0.091 0.000 0.777 165 A CB 0.421 19.355 19.000 -0.111 0.000 1.013 165 A HN 0.937 nan 8.150 nan 0.000 0.493 166 G N 0.363 109.099 108.800 -0.107 0.000 3.324 166 G HA2 0.462 4.422 3.960 0.001 0.000 0.251 166 G HA3 0.462 4.422 3.960 0.001 0.000 0.251 166 G C -0.015 174.788 174.900 -0.161 0.000 1.072 166 G CA 0.347 45.372 45.100 -0.125 0.000 0.787 166 G HN 0.737 nan 8.290 nan 0.000 0.537 167 I N -0.455 120.021 120.570 -0.157 0.000 2.947 167 I HA 0.494 4.665 4.170 0.001 0.000 0.301 167 I C -1.428 174.586 176.117 -0.172 0.000 1.453 167 I CA -1.112 60.081 61.300 -0.179 0.000 0.984 167 I CB 2.329 40.238 38.000 -0.151 0.000 1.333 167 I HN -0.110 nan 8.210 nan 0.000 0.475 171 A N 0.894 123.881 122.820 0.277 0.000 2.594 171 A HA 1.066 5.387 4.320 0.001 0.000 0.295 171 A C -0.396 177.307 177.584 0.199 0.000 1.071 171 A CA -0.049 52.170 52.037 0.304 0.000 0.685 171 A CB 1.882 21.075 19.000 0.322 0.000 1.285 171 A HN 2.637 nan 8.150 nan 0.000 0.405 172 T N -2.046 112.622 114.554 0.190 0.000 2.883 172 T HA 0.746 5.097 4.350 0.001 0.000 0.301 172 T C -0.624 174.118 174.700 0.070 0.000 1.158 172 T CA -0.303 61.843 62.100 0.078 0.000 1.007 172 T CB 1.991 70.879 68.868 0.034 0.000 1.186 172 T HN 1.295 nan 8.240 nan 0.000 0.499 173 T N 0.944 115.460 114.554 -0.065 0.000 3.428 173 T HA 0.625 4.976 4.350 0.001 0.000 0.301 173 T C 0.350 174.993 174.700 -0.096 0.000 1.323 173 T CA 0.876 62.910 62.100 -0.109 0.000 1.647 173 T CB -0.942 67.695 68.868 -0.386 0.000 0.871 173 T HN 1.890 nan 8.240 nan 0.000 0.627 174 G N 2.616 111.385 108.800 -0.052 0.000 2.500 174 G HA2 -0.097 3.864 3.960 0.001 0.000 0.209 174 G HA3 -0.097 3.864 3.960 0.001 0.000 0.209 174 G C -0.551 174.319 174.900 -0.049 0.000 1.283 174 G CA -0.537 44.529 45.100 -0.057 0.000 0.960 174 G HN 0.729 nan 8.290 nan 0.000 0.528 175 K N 0.633 121.005 120.400 -0.047 0.000 2.530 175 K HA 0.451 4.772 4.320 0.001 0.000 0.280 175 K C 0.955 177.535 176.600 -0.033 0.000 1.004 175 K CA 0.565 56.828 56.287 -0.040 0.000 1.071 175 K CB 0.094 32.573 32.500 -0.035 0.000 0.876 175 K HN 1.584 nan 8.250 nan 0.000 0.487 176 A N 3.888 126.689 122.820 -0.032 0.000 2.511 176 A HA 0.113 4.434 4.320 0.001 0.000 0.242 176 A C 0.350 177.932 177.584 -0.003 0.000 1.069 176 A CA 0.126 52.151 52.037 -0.021 0.000 0.763 176 A CB -0.069 18.909 19.000 -0.038 0.000 1.001 176 A HN 0.885 nan 8.150 nan 0.000 0.498 177 T N 0.560 115.129 114.554 0.024 0.000 2.788 177 T HA 0.413 4.764 4.350 0.001 0.000 0.287 177 T C -1.832 172.905 174.700 0.062 0.000 1.007 177 T CA -1.205 60.925 62.100 0.051 0.000 1.005 177 T CB 0.559 69.483 68.868 0.092 0.000 1.012 177 T HN 0.355 nan 8.240 nan 0.000 0.530 178 P HA -0.025 nan 4.420 nan 0.000 0.217 178 P C 1.275 178.640 177.300 0.110 0.000 1.150 178 P CA 0.664 63.808 63.100 0.074 0.000 0.832 178 P CB -0.164 31.584 31.700 0.079 0.000 0.787 179 F N 0.974 120.936 119.950 0.019 0.000 2.102 179 F HA -0.170 4.357 4.527 0.001 0.000 0.298 179 F C 2.198 178.030 175.800 0.052 0.000 1.105 179 F CA 1.656 59.676 58.000 0.033 0.000 1.239 179 F CB -0.872 38.149 39.000 0.035 0.000 0.991 179 F HN -0.128 nan 8.300 nan 0.000 0.474 180 Q N 0.049 119.849 119.800 0.000 0.000 2.170 180 Q HA -0.208 4.132 4.340 0.001 0.000 0.203 180 Q C 2.008 177.934 176.000 -0.123 0.000 0.976 180 Q CA 1.880 57.635 55.803 -0.080 0.000 0.858 180 Q CB -0.293 28.468 28.738 0.038 0.000 0.907 180 Q HN 0.584 nan 8.270 nan 0.000 0.433 181 E N 0.550 120.698 120.200 -0.088 0.000 2.110 181 E HA -0.158 4.193 4.350 0.001 0.000 0.193 181 E C 1.984 178.525 176.600 -0.097 0.000 0.988 181 E CA 0.755 57.107 56.400 -0.080 0.000 0.804 181 E CB -0.080 29.592 29.700 -0.047 0.000 0.745 181 E HN 0.357 nan 8.360 nan 0.000 0.458 182 L N 0.670 121.792 121.223 -0.168 0.000 2.093 182 L HA -0.159 4.182 4.340 0.001 0.000 0.208 182 L C 2.489 179.252 176.870 -0.179 0.000 1.085 182 L CA 0.682 55.417 54.840 -0.175 0.000 0.755 182 L CB -0.412 41.505 42.059 -0.236 0.000 0.904 182 L HN 0.054 nan 8.230 nan 0.000 0.435 183 V N -0.121 119.611 119.914 -0.304 0.000 2.343 183 V HA -0.288 3.833 4.120 0.001 0.000 0.247 183 V C 2.428 178.607 176.094 0.142 0.000 1.051 183 V CA 1.471 63.725 62.300 -0.077 0.000 1.036 183 V CB -0.390 31.372 31.823 -0.102 0.000 0.654 183 V HN 0.257 nan 8.190 nan 0.000 0.451 184 L N -0.324 120.941 121.223 0.070 0.000 2.083 184 L HA -0.154 4.187 4.340 0.001 0.000 0.209 184 L C 2.369 179.386 176.870 0.245 0.000 1.083 184 L CA 1.852 56.794 54.840 0.169 0.000 0.752 184 L CB -0.791 41.229 42.059 -0.064 0.000 0.899 184 L HN 0.270 nan 8.230 nan 0.000 0.433 185 K N -0.981 119.494 120.400 0.126 0.000 2.057 185 K HA -0.085 4.236 4.320 0.001 0.000 0.206 185 K C 2.176 178.867 176.600 0.153 0.000 1.050 185 K CA 1.227 57.592 56.287 0.129 0.000 0.935 185 K CB -0.322 32.211 32.500 0.056 0.000 0.715 185 K HN 0.308 nan 8.250 nan 0.000 0.439 186 A N 1.612 124.520 122.820 0.147 0.000 1.902 186 A HA -0.134 4.187 4.320 0.001 0.000 0.217 186 A C 2.389 180.187 177.584 0.356 0.000 1.181 186 A CA 1.857 53.993 52.037 0.166 0.000 0.623 186 A CB -0.756 18.241 19.000 -0.005 0.000 0.818 186 A HN 0.330 nan 8.150 nan 0.000 0.443 187 A N -0.068 123.019 122.820 0.445 0.000 1.908 187 A HA 0.079 4.400 4.320 0.001 0.000 0.218 187 A C 2.516 180.195 177.584 0.158 0.000 1.181 187 A CA 2.379 54.598 52.037 0.303 0.000 0.627 187 A CB -1.058 18.078 19.000 0.227 0.000 0.818 187 A HN 1.103 nan 8.150 nan 0.000 0.445 188 A N -0.468 122.463 122.820 0.185 0.000 1.898 188 A HA -0.129 4.191 4.320 0.001 0.000 0.216 188 A C 2.241 179.867 177.584 0.071 0.000 1.181 188 A CA 1.545 53.642 52.037 0.099 0.000 0.620 188 A CB -0.413 18.713 19.000 0.210 0.000 0.819 188 A HN 0.553 nan 8.150 nan 0.000 0.442 189 R N -0.467 120.093 120.500 0.100 0.000 2.075 189 R HA -0.011 4.329 4.340 0.001 0.000 0.232 189 R C 2.473 178.805 176.300 0.052 0.000 1.126 189 R CA 1.173 57.313 56.100 0.066 0.000 0.963 189 R CB -0.447 29.892 30.300 0.064 0.000 0.858 189 R HN 0.498 nan 8.270 nan 0.000 0.435 190 A N 0.282 123.158 122.820 0.093 0.000 1.902 190 A HA -0.198 4.122 4.320 0.001 0.000 0.217 190 A C 2.175 179.760 177.584 0.001 0.000 1.181 190 A CA 1.901 53.981 52.037 0.072 0.000 0.623 190 A CB -0.709 18.397 19.000 0.177 0.000 0.818 190 A HN 0.322 nan 8.150 nan 0.000 0.443 191 S N -0.564 115.127 115.700 -0.016 0.000 2.368 191 S HA -0.088 4.382 4.470 0.001 0.000 0.225 191 S C 1.941 176.502 174.600 -0.065 0.000 1.030 191 S CA 1.384 59.539 58.200 -0.074 0.000 0.999 191 S CB -0.481 62.646 63.200 -0.121 0.000 0.844 191 S HN 0.487 nan 8.310 nan 0.000 0.459 192 L N 0.823 122.024 121.223 -0.036 0.000 2.083 192 L HA -0.056 4.285 4.340 0.001 0.000 0.209 192 L C 2.896 179.746 176.870 -0.032 0.000 1.083 192 L CA 1.247 56.068 54.840 -0.031 0.000 0.752 192 L CB -0.595 41.459 42.059 -0.008 0.000 0.899 192 L HN 0.442 nan 8.230 nan 0.000 0.433 193 A N -0.508 122.296 122.820 -0.027 0.000 1.968 193 A HA -0.151 4.170 4.320 0.001 0.000 0.217 193 A C 2.319 179.873 177.584 -0.051 0.000 1.169 193 A CA 1.931 53.949 52.037 -0.032 0.000 0.638 193 A CB -0.542 18.442 19.000 -0.026 0.000 0.812 193 A HN 0.502 nan 8.150 nan 0.000 0.446 194 T N -5.990 108.524 114.554 -0.066 0.000 3.000 194 T HA 0.423 4.773 4.350 0.001 0.000 0.248 194 T C 1.495 176.140 174.700 -0.092 0.000 1.034 194 T CA 1.167 63.216 62.100 -0.085 0.000 1.060 194 T CB 0.360 69.166 68.868 -0.103 0.000 0.983 194 T HN 1.634 nan 8.240 nan 0.000 0.482 195 G N 0.867 109.610 108.800 -0.096 0.000 2.195 195 G HA2 -0.216 3.745 3.960 0.001 0.000 0.246 195 G HA3 -0.216 3.745 3.960 0.001 0.000 0.246 195 G C 0.084 174.896 174.900 -0.148 0.000 0.984 195 G CA -0.048 44.987 45.100 -0.108 0.000 0.633 195 G HN 0.706 nan 8.290 nan 0.000 0.525 196 V N 3.807 123.626 119.914 -0.158 0.000 2.555 196 V HA 0.408 4.528 4.120 0.001 0.000 0.286 196 V C -0.880 175.061 176.094 -0.256 0.000 1.044 196 V CA -0.838 61.339 62.300 -0.205 0.000 1.026 196 V CB 1.298 33.014 31.823 -0.178 0.000 0.981 196 V HN 0.274 nan 8.190 nan 0.000 0.480 197 P HA 0.201 nan 4.420 nan 0.000 0.272 197 P C -0.888 176.225 177.300 -0.311 0.000 1.240 197 P CA -0.095 62.718 63.100 -0.479 0.000 0.791 197 P CB 0.845 31.836 31.700 -1.182 0.000 0.978 198 V N 0.680 120.484 119.914 -0.183 0.000 2.513 198 V HA 0.536 4.656 4.120 0.001 0.000 0.299 198 V C 0.431 176.591 176.094 0.109 0.000 1.035 198 V CA -0.208 62.030 62.300 -0.103 0.000 0.889 198 V CB 1.617 33.276 31.823 -0.272 0.000 0.988 198 V HN 0.644 nan 8.190 nan 0.000 0.440 199 T N 2.824 117.450 114.554 0.119 0.000 2.893 199 T HA 0.725 5.075 4.350 0.001 0.000 0.293 199 T C -0.425 174.373 174.700 0.163 0.000 1.027 199 T CA -0.146 62.064 62.100 0.184 0.000 0.988 199 T CB 1.558 70.547 68.868 0.202 0.000 1.043 199 T HN 1.064 nan 8.240 nan 0.000 0.461 200 T N 1.097 115.748 114.554 0.160 0.000 2.906 200 T HA 0.573 4.923 4.350 0.001 0.000 0.295 200 T C -0.931 173.833 174.700 0.107 0.000 1.075 200 T CA -0.762 61.452 62.100 0.190 0.000 1.005 200 T CB 1.433 70.437 68.868 0.227 0.000 1.136 200 T HN 0.744 nan 8.240 nan 0.000 0.498 201 H N 0.681 119.824 119.070 0.122 0.000 2.467 201 H HA 0.659 5.215 4.556 0.001 0.000 0.326 201 H C 0.015 175.442 175.328 0.166 0.000 1.094 201 H CA -0.072 56.060 56.048 0.139 0.000 1.253 201 H CB 1.163 31.232 29.762 0.512 0.000 1.439 201 H HN 1.056 nan 8.280 nan 0.000 0.479 202 T N 1.613 116.198 114.554 0.052 0.000 2.883 202 T HA 0.657 5.008 4.350 0.001 0.000 0.296 202 T C -0.710 174.025 174.700 0.059 0.000 1.117 202 T CA -0.814 61.351 62.100 0.109 0.000 1.006 202 T CB 1.438 70.342 68.868 0.060 0.000 1.191 202 T HN 0.692 nan 8.240 nan 0.000 0.508 203 A N 0.862 123.719 122.820 0.062 0.000 2.690 203 A HA 0.756 5.076 4.320 0.001 0.000 0.342 203 A C 1.570 179.146 177.584 -0.014 0.000 1.410 203 A CA -0.197 51.852 52.037 0.021 0.000 0.958 203 A CB -0.639 18.360 19.000 -0.001 0.000 1.153 203 A HN 1.380 nan 8.150 nan 0.000 0.497 204 A N 1.750 124.575 122.820 0.008 0.000 1.903 204 A HA -0.192 4.128 4.320 0.001 0.000 0.219 204 A C 2.534 180.030 177.584 -0.147 0.000 1.191 204 A CA 2.568 54.610 52.037 0.009 0.000 0.638 204 A CB -0.888 18.164 19.000 0.087 0.000 0.823 204 A HN 1.627 nan 8.150 nan 0.000 0.451 205 S N -0.583 115.058 115.700 -0.099 0.000 2.419 205 S HA -0.227 4.243 4.470 0.001 0.000 0.235 205 S C 1.565 176.054 174.600 -0.185 0.000 1.019 205 S CA 1.547 59.670 58.200 -0.129 0.000 0.982 205 S CB -0.482 62.678 63.200 -0.067 0.000 0.789 205 S HN 0.717 nan 8.310 nan 0.000 0.490 206 Q N 0.239 119.938 119.800 -0.169 0.000 2.280 206 Q HA 0.330 4.670 4.340 0.001 0.000 0.201 206 Q C -0.136 175.723 176.000 -0.235 0.000 0.890 206 Q CA -0.295 55.408 55.803 -0.167 0.000 0.947 206 Q CB 0.101 28.777 28.738 -0.103 0.000 1.081 206 Q HN 0.463 nan 8.270 nan 0.000 0.502 207 R N 0.341 120.587 120.500 -0.424 0.000 3.770 207 R HA -0.209 4.131 4.340 0.001 0.000 0.305 207 R C -0.192 176.023 176.300 -0.141 0.000 1.184 207 R CA 0.587 56.326 56.100 -0.603 0.000 0.823 207 R CB -1.571 28.428 30.300 -0.500 0.000 1.285 207 R HN 0.353 nan 8.270 nan 0.000 0.499 208 D N -0.062 120.298 120.400 -0.066 0.000 2.172 208 D HA -0.155 4.486 4.640 0.001 0.000 0.196 208 D C 1.983 178.294 176.300 0.018 0.000 0.999 208 D CA 1.884 55.877 54.000 -0.011 0.000 0.856 208 D CB -0.404 40.405 40.800 0.014 0.000 0.934 208 D HN 0.623 nan 8.370 nan 0.000 0.453 209 G N 0.430 109.299 108.800 0.115 0.000 2.475 209 G HA2 -0.316 3.645 3.960 0.001 0.000 0.220 209 G HA3 -0.316 3.645 3.960 0.001 0.000 0.220 209 G C 1.519 176.386 174.900 -0.054 0.000 1.125 209 G CA 0.890 46.011 45.100 0.035 0.000 0.755 209 G HN 0.339 nan 8.290 nan 0.000 0.565 210 E N -0.517 119.712 120.200 0.048 0.000 2.072 210 E HA -0.131 4.220 4.350 0.001 0.000 0.191 210 E C 2.440 178.999 176.600 -0.067 0.000 0.985 210 E CA 1.013 57.407 56.400 -0.009 0.000 0.801 210 E CB -0.139 29.596 29.700 0.059 0.000 0.750 210 E HN 0.600 nan 8.360 nan 0.000 0.452 211 Q N 0.685 120.443 119.800 -0.069 0.000 2.119 211 Q HA -0.204 4.137 4.340 0.001 0.000 0.201 211 Q C 2.064 177.955 176.000 -0.181 0.000 0.972 211 Q CA 1.201 56.945 55.803 -0.097 0.000 0.847 211 Q CB 0.174 28.863 28.738 -0.081 0.000 0.903 211 Q HN 0.299 nan 8.270 nan 0.000 0.433 212 Q N -0.216 119.447 119.800 -0.229 0.000 2.050 212 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 212 Q C 2.137 177.799 176.000 -0.564 0.000 0.980 212 Q CA 1.385 56.913 55.803 -0.459 0.000 0.840 212 Q CB -0.219 28.328 28.738 -0.317 0.000 0.898 212 Q HN 0.471 nan 8.270 nan 0.000 0.424 213 A N 1.274 123.935 122.820 -0.266 0.000 1.908 213 A HA -0.162 4.159 4.320 0.001 0.000 0.218 213 A C 2.327 179.939 177.584 0.047 0.000 1.181 213 A CA 1.669 53.670 52.037 -0.060 0.000 0.627 213 A CB -0.836 17.983 19.000 -0.303 0.000 0.818 213 A HN 0.409 nan 8.150 nan 0.000 0.445 214 A N -0.026 122.766 122.820 -0.048 0.000 1.877 214 A HA -0.112 4.209 4.320 0.001 0.000 0.216 214 A C 2.128 179.705 177.584 -0.012 0.000 1.186 214 A CA 1.611 53.643 52.037 -0.008 0.000 0.620 214 A CB -0.621 18.361 19.000 -0.030 0.000 0.822 214 A HN 0.510 nan 8.150 nan 0.000 0.443 215 I N -1.631 118.868 120.570 -0.119 0.000 2.226 215 I HA -0.250 3.921 4.170 0.001 0.000 0.245 215 I C 2.357 178.493 176.117 0.031 0.000 1.100 215 I CA 1.373 62.609 61.300 -0.107 0.000 1.374 215 I CB -0.445 37.419 38.000 -0.228 0.000 1.057 215 I HN 0.375 nan 8.210 nan 0.000 0.413 216 F N 1.101 121.097 119.950 0.077 0.000 2.095 216 F HA -0.234 4.294 4.527 0.001 0.000 0.298 216 F C 2.584 178.439 175.800 0.092 0.000 1.104 216 F CA 1.119 59.178 58.000 0.099 0.000 1.232 216 F CB -0.349 38.747 39.000 0.160 0.000 0.987 216 F HN 0.056 nan 8.300 nan 0.000 0.475 217 E N 0.100 120.483 120.200 0.305 0.000 2.153 217 E HA -0.188 4.163 4.350 0.001 0.000 0.194 217 E C 2.182 178.858 176.600 0.127 0.000 0.988 217 E CA 1.416 57.932 56.400 0.194 0.000 0.811 217 E CB -0.210 29.596 29.700 0.176 0.000 0.746 217 E HN 0.342 nan 8.360 nan 0.000 0.466 218 S N 0.762 116.528 115.700 0.110 0.000 2.474 218 S HA -0.111 4.359 4.470 0.001 0.000 0.235 218 S C 1.569 176.216 174.600 0.079 0.000 0.997 218 S CA 0.750 58.995 58.200 0.075 0.000 0.949 218 S CB 0.036 63.266 63.200 0.051 0.000 0.766 218 S HN 0.127 nan 8.310 nan 0.000 0.517 219 E N 0.606 120.873 120.200 0.110 0.000 2.474 219 E HA 0.217 4.568 4.350 0.001 0.000 0.194 219 E C 1.378 178.026 176.600 0.079 0.000 1.041 219 E CA 0.567 57.026 56.400 0.099 0.000 0.874 219 E CB 0.209 29.989 29.700 0.132 0.000 0.914 219 E HN 0.721 nan 8.360 nan 0.000 0.498 220 G N 1.704 110.552 108.800 0.081 0.000 2.157 220 G HA2 -0.263 3.698 3.960 0.001 0.000 0.239 220 G HA3 -0.263 3.698 3.960 0.001 0.000 0.239 220 G C 0.067 174.992 174.900 0.041 0.000 0.982 220 G CA 0.276 45.408 45.100 0.053 0.000 0.650 220 G HN 0.241 nan 8.290 nan 0.000 0.527 221 L N 2.123 123.384 121.223 0.064 0.000 2.416 221 L HA 0.698 5.039 4.340 0.001 0.000 0.272 221 L C 0.940 177.806 176.870 -0.008 0.000 1.161 221 L CA 0.313 55.162 54.840 0.014 0.000 0.845 221 L CB 1.331 43.384 42.059 -0.010 0.000 1.119 221 L HN 0.399 nan 8.230 nan 0.000 0.464 222 S N 6.015 121.681 115.700 -0.057 0.000 2.528 222 S HA 0.339 4.810 4.470 0.001 0.000 0.277 222 S C -1.571 172.922 174.600 -0.178 0.000 1.297 222 S CA -1.003 57.139 58.200 -0.096 0.000 1.052 222 S CB 0.777 63.926 63.200 -0.085 0.000 0.917 222 S HN 0.647 nan 8.310 nan 0.000 0.492 223 P HA -0.119 nan 4.420 nan 0.000 0.217 223 P C 1.489 178.531 177.300 -0.430 0.000 1.148 223 P CA 1.303 63.937 63.100 -0.778 0.000 0.828 223 P CB -0.245 30.588 31.700 -1.446 0.000 0.783 224 S N -1.268 114.291 115.700 -0.234 0.000 2.500 224 S HA -0.082 4.389 4.470 0.001 0.000 0.239 224 S C 1.567 176.181 174.600 0.023 0.000 0.989 224 S CA 0.652 58.800 58.200 -0.086 0.000 0.951 224 S CB -0.701 62.464 63.200 -0.058 0.000 0.759 224 S HN 0.019 nan 8.310 nan 0.000 0.523 225 R N 0.669 121.156 120.500 -0.022 0.000 2.393 225 R HA 0.437 4.778 4.340 0.001 0.000 0.244 225 R C -0.429 175.930 176.300 0.099 0.000 0.920 225 R CA -0.063 56.035 56.100 -0.002 0.000 1.076 225 R CB -0.143 30.090 30.300 -0.111 0.000 1.119 225 R HN 0.374 nan 8.270 nan 0.000 0.524 226 V N 0.328 120.337 119.914 0.159 0.000 2.604 226 V HA 0.316 4.437 4.120 0.001 0.000 0.305 226 V C -0.446 175.792 176.094 0.240 0.000 1.043 226 V CA -1.253 61.173 62.300 0.211 0.000 0.888 226 V CB 2.623 34.551 31.823 0.175 0.000 0.995 226 V HN 0.143 nan 8.190 nan 0.000 0.429 227 C N 6.736 126.144 119.300 0.181 0.000 2.301 227 C HA 0.607 5.067 4.460 0.001 0.000 0.323 227 C C -0.357 174.654 174.990 0.036 0.000 1.265 227 C CA -0.610 58.376 59.018 -0.052 0.000 1.503 227 C CB -0.334 27.195 27.740 -0.351 0.000 2.195 227 C HN 0.706 nan 8.230 nan 0.000 0.477 228 I N 6.695 127.265 120.570 -0.001 0.000 2.291 228 I HA 0.312 4.482 4.170 0.001 0.000 0.292 228 I C 1.175 177.239 176.117 -0.089 0.000 1.064 228 I CA 0.509 61.797 61.300 -0.020 0.000 1.269 228 I CB 0.119 38.074 38.000 -0.074 0.000 1.418 228 I HN 0.900 nan 8.210 nan 0.000 0.485 229 G N 4.460 113.178 108.800 -0.135 0.000 2.547 229 G HA2 0.317 4.277 3.960 0.001 0.000 0.291 229 G HA3 0.317 4.277 3.960 0.001 0.000 0.291 229 G C 0.245 174.934 174.900 -0.352 0.000 1.211 229 G CA -0.187 44.731 45.100 -0.303 0.000 0.950 229 G HN 0.764 nan 8.290 nan 0.000 0.504 230 H N -1.181 117.668 119.070 -0.368 0.000 2.861 230 H HA -0.154 4.402 4.556 0.001 0.000 0.289 230 H C 1.926 177.126 175.328 -0.213 0.000 1.176 230 H CA 0.464 56.207 56.048 -0.507 0.000 1.146 230 H CB -1.807 27.635 29.762 -0.534 0.000 1.330 230 H HN 0.334 nan 8.280 nan 0.000 0.379 231 S N 0.115 115.785 115.700 -0.050 0.000 2.481 231 S HA -0.088 4.383 4.470 0.001 0.000 0.231 231 S C 1.664 176.288 174.600 0.039 0.000 0.996 231 S CA 0.931 59.138 58.200 0.012 0.000 0.942 231 S CB 0.083 63.261 63.200 -0.037 0.000 0.768 231 S HN 0.698 nan 8.310 nan 0.000 0.520 232 D N 0.550 120.965 120.400 0.024 0.000 2.349 232 D HA -0.029 4.612 4.640 0.001 0.000 0.224 232 D C 0.213 176.558 176.300 0.075 0.000 1.029 232 D CA 0.246 54.279 54.000 0.055 0.000 0.879 232 D CB -0.208 40.632 40.800 0.067 0.000 0.906 232 D HN 0.115 nan 8.370 nan 0.000 0.528 233 D N 0.309 120.756 120.400 0.079 0.000 2.363 233 D HA -0.012 4.629 4.640 0.001 0.000 0.226 233 D C 0.368 176.703 176.300 0.058 0.000 1.020 233 D CA 0.683 54.732 54.000 0.083 0.000 0.892 233 D CB 0.338 41.193 40.800 0.092 0.000 0.900 233 D HN 0.187 nan 8.370 nan 0.000 0.531 234 T N -1.085 113.510 114.554 0.069 0.000 2.916 234 T HA 0.190 4.541 4.350 0.001 0.000 0.292 234 T C -0.205 174.533 174.700 0.065 0.000 1.055 234 T CA -0.786 61.348 62.100 0.056 0.000 1.009 234 T CB 1.540 70.448 68.868 0.066 0.000 1.118 234 T HN -0.274 nan 8.240 nan 0.000 0.497 235 D N 1.335 121.763 120.400 0.047 0.000 2.369 235 D HA 0.084 4.725 4.640 0.001 0.000 0.211 235 D C -0.174 176.159 176.300 0.056 0.000 1.077 235 D CA 0.011 54.039 54.000 0.047 0.000 0.842 235 D CB 0.392 41.210 40.800 0.031 0.000 0.947 235 D HN 0.494 nan 8.370 nan 0.000 0.509 236 D N 1.620 122.065 120.400 0.074 0.000 2.508 236 D HA -0.018 4.623 4.640 0.001 0.000 0.224 236 D C 1.308 177.689 176.300 0.135 0.000 1.171 236 D CA -0.298 53.760 54.000 0.095 0.000 1.006 236 D CB 0.369 41.217 40.800 0.080 0.000 1.073 236 D HN -0.053 nan 8.370 nan 0.000 0.513 237 L N 2.909 124.181 121.223 0.082 0.000 2.261 237 L HA -0.179 4.162 4.340 0.001 0.000 0.216 237 L C 2.219 179.115 176.870 0.043 0.000 1.114 237 L CA 1.663 56.536 54.840 0.054 0.000 0.777 237 L CB -0.448 41.637 42.059 0.045 0.000 0.910 237 L HN 0.382 nan 8.230 nan 0.000 0.440 238 S N -1.978 113.764 115.700 0.070 0.000 2.406 238 S HA -0.259 4.212 4.470 0.001 0.000 0.228 238 S C 2.090 176.735 174.600 0.076 0.000 1.020 238 S CA 1.044 59.280 58.200 0.060 0.000 0.965 238 S CB -1.110 62.127 63.200 0.061 0.000 0.798 238 S HN 0.637 nan 8.310 nan 0.000 0.488 239 Y N 2.399 122.681 120.300 -0.029 0.000 2.200 239 Y HA 0.056 4.607 4.550 0.001 0.000 0.290 239 Y C 1.981 177.844 175.900 -0.063 0.000 1.137 239 Y CA 1.184 59.259 58.100 -0.042 0.000 1.163 239 Y CB -0.319 38.118 38.460 -0.038 0.000 0.988 239 Y HN 0.155 nan 8.280 nan 0.000 0.518 240 L N 0.298 121.316 121.223 -0.342 0.000 2.017 240 L HA -0.216 4.124 4.340 0.001 0.000 0.208 240 L C 2.725 179.381 176.870 -0.356 0.000 1.073 240 L CA 2.074 56.654 54.840 -0.433 0.000 0.745 240 L CB -1.215 40.726 42.059 -0.198 0.000 0.894 240 L HN 0.417 nan 8.230 nan 0.000 0.432 241 T N -2.573 111.838 114.554 -0.237 0.000 2.915 241 T HA -0.081 4.269 4.350 0.001 0.000 0.269 241 T C 1.887 176.431 174.700 -0.261 0.000 1.071 241 T CA 0.875 62.804 62.100 -0.285 0.000 1.132 241 T CB -0.299 68.514 68.868 -0.091 0.000 0.878 241 T HN 0.318 nan 8.240 nan 0.000 0.479 242 A N 1.409 124.126 122.820 -0.171 0.000 1.930 242 A HA 0.248 4.569 4.320 0.001 0.000 0.217 242 A C 2.394 179.908 177.584 -0.118 0.000 1.175 242 A CA 0.953 52.928 52.037 -0.102 0.000 0.627 242 A CB -0.742 18.233 19.000 -0.041 0.000 0.815 242 A HN 0.533 nan 8.150 nan 0.000 0.443 243 L N -0.917 120.175 121.223 -0.218 0.000 2.072 243 L HA -0.131 4.210 4.340 0.001 0.000 0.205 243 L C 3.113 179.948 176.870 -0.058 0.000 1.079 243 L CA 0.945 55.692 54.840 -0.155 0.000 0.752 243 L CB -0.560 41.291 42.059 -0.346 0.000 0.906 243 L HN 0.420 nan 8.230 nan 0.000 0.436 244 A N 0.252 122.906 122.820 -0.277 0.000 1.908 244 A HA -0.225 4.096 4.320 0.001 0.000 0.218 244 A C 2.512 179.948 177.584 -0.246 0.000 1.181 244 A CA 1.841 53.644 52.037 -0.389 0.000 0.627 244 A CB -0.749 17.686 19.000 -0.943 0.000 0.818 244 A HN 0.412 nan 8.150 nan 0.000 0.445 245 A N -0.364 122.327 122.820 -0.216 0.000 1.978 245 A HA -0.165 4.155 4.320 0.001 0.000 0.220 245 A C 2.146 179.773 177.584 0.071 0.000 1.170 245 A CA 1.544 53.613 52.037 0.054 0.000 0.636 245 A CB -0.413 18.636 19.000 0.080 0.000 0.810 245 A HN 0.560 nan 8.150 nan 0.000 0.448 246 R N -1.684 118.856 120.500 0.068 0.000 2.323 246 R HA 0.184 4.524 4.340 0.001 0.000 0.198 246 R C 1.360 177.645 176.300 -0.024 0.000 0.988 246 R CA 0.587 56.741 56.100 0.089 0.000 1.041 246 R CB -0.057 30.381 30.300 0.230 0.000 0.926 246 R HN 0.696 nan 8.270 nan 0.000 0.476 247 G N -0.730 108.052 108.800 -0.031 0.000 2.195 247 G HA2 -0.280 3.680 3.960 0.001 0.000 0.224 247 G HA3 -0.280 3.680 3.960 0.001 0.000 0.224 247 G C -0.101 174.671 174.900 -0.215 0.000 0.990 247 G CA -0.501 44.522 45.100 -0.128 0.000 0.639 247 G HN 0.228 nan 8.290 nan 0.000 0.514 248 Y N -0.036 120.240 120.300 -0.040 0.000 2.426 248 Y HA 0.553 5.104 4.550 0.001 0.000 0.344 248 Y C 1.166 177.009 175.900 -0.094 0.000 1.256 248 Y CA -0.281 57.789 58.100 -0.050 0.000 1.451 248 Y CB 0.459 38.885 38.460 -0.057 0.000 1.342 248 Y HN 0.144 nan 8.280 nan 0.000 0.600 249 L N 3.136 124.393 121.223 0.057 0.000 2.325 249 L HA 0.301 4.642 4.340 0.001 0.000 0.279 249 L C -0.747 176.064 176.870 -0.099 0.000 1.054 249 L CA -0.193 54.589 54.840 -0.098 0.000 0.804 249 L CB 0.708 42.586 42.059 -0.302 0.000 1.200 249 L HN 0.362 nan 8.230 nan 0.000 0.436 250 I N 2.369 122.861 120.570 -0.130 0.000 2.330 250 I HA 0.342 4.512 4.170 0.001 0.000 0.289 250 I C 0.654 176.689 176.117 -0.137 0.000 1.001 250 I CA -0.440 60.781 61.300 -0.132 0.000 1.193 250 I CB 1.047 38.966 38.000 -0.135 0.000 1.345 250 I HN 0.607 nan 8.210 nan 0.000 0.461 251 G N 7.348 116.064 108.800 -0.140 0.000 2.350 251 G HA2 0.534 4.494 3.960 0.001 0.000 0.306 251 G HA3 0.534 4.494 3.960 0.001 0.000 0.306 251 G C -0.188 174.647 174.900 -0.108 0.000 1.094 251 G CA -0.432 44.587 45.100 -0.135 0.000 0.953 251 G HN 0.547 nan 8.290 nan 0.000 0.420 252 L N 3.223 124.407 121.223 -0.065 0.000 2.397 252 L HA 0.269 4.610 4.340 0.001 0.000 0.263 252 L C 0.001 176.865 176.870 -0.010 0.000 1.136 252 L CA -0.574 54.252 54.840 -0.024 0.000 1.019 252 L CB 0.655 42.724 42.059 0.017 0.000 1.352 252 L HN 0.692 nan 8.230 nan 0.000 0.420 253 D N -2.481 117.877 120.400 -0.071 0.000 2.501 253 D HA 0.007 4.648 4.640 0.001 0.000 0.224 253 D C 0.888 177.163 176.300 -0.043 0.000 1.202 253 D CA -0.093 53.870 54.000 -0.061 0.000 0.829 253 D CB 0.102 40.799 40.800 -0.172 0.000 1.023 253 D HN 0.418 nan 8.370 nan 0.000 0.499 254 H N 0.341 119.336 119.070 -0.124 0.000 2.581 254 H HA 0.204 4.760 4.556 0.001 0.000 0.275 254 H C 1.278 176.575 175.328 -0.052 0.000 1.126 254 H CA -0.467 55.376 56.048 -0.341 0.000 1.097 254 H CB 0.699 30.194 29.762 -0.446 0.000 1.626 254 H HN -0.011 nan 8.280 nan 0.000 0.565 255 I N 1.731 122.408 120.570 0.179 0.000 2.121 255 I HA -0.234 3.937 4.170 0.001 0.000 0.243 255 I C -0.755 175.444 176.117 0.137 0.000 1.047 255 I CA 1.476 62.911 61.300 0.225 0.000 1.308 255 I CB -2.262 35.925 38.000 0.313 0.000 1.015 255 I HN 0.295 nan 8.210 nan 0.000 0.410 256 P HA -0.027 nan 4.420 nan 0.000 0.255 256 P C 0.242 177.459 177.300 -0.139 0.000 1.248 256 P CA 0.554 63.279 63.100 -0.626 0.000 0.807 256 P CB -0.418 30.476 31.700 -1.343 0.000 1.150 257 H N 0.569 119.587 119.070 -0.086 0.000 2.944 257 H HA 0.360 4.917 4.556 0.001 0.000 0.278 257 H C 0.055 175.363 175.328 -0.033 0.000 1.083 257 H CA 0.159 56.170 56.048 -0.062 0.000 1.479 257 H CB 0.509 30.142 29.762 -0.214 0.000 1.486 257 H HN 0.022 nan 8.280 nan 0.000 0.493 258 S N 2.240 117.969 115.700 0.049 0.000 2.584 258 S HA 0.397 4.868 4.470 0.001 0.000 0.280 258 S C -0.091 174.529 174.600 0.034 0.000 1.162 258 S CA -0.385 57.849 58.200 0.057 0.000 0.951 258 S CB 1.082 64.338 63.200 0.094 0.000 1.108 258 S HN 0.691 nan 8.310 nan 0.000 0.464 259 A N 4.954 127.793 122.820 0.031 0.000 2.415 259 A HA 0.439 4.760 4.320 0.001 0.000 0.248 259 A C 0.547 178.150 177.584 0.032 0.000 1.299 259 A CA -0.303 51.751 52.037 0.027 0.000 0.899 259 A CB -0.508 18.506 19.000 0.023 0.000 0.997 259 A HN 0.822 nan 8.150 nan 0.000 0.506 260 I N 0.547 121.141 120.570 0.039 0.000 2.821 260 I HA 0.102 4.273 4.170 0.001 0.000 0.294 260 I C 1.538 177.678 176.117 0.038 0.000 1.210 260 I CA 1.723 63.045 61.300 0.038 0.000 1.430 260 I CB 0.420 38.446 38.000 0.043 0.000 1.356 260 I HN 0.545 nan 8.210 nan 0.000 0.563 261 G N 5.418 114.237 108.800 0.031 0.000 2.159 261 G HA2 -0.251 3.710 3.960 0.001 0.000 0.256 261 G HA3 -0.251 3.710 3.960 0.001 0.000 0.256 261 G C 0.390 175.306 174.900 0.027 0.000 0.977 261 G CA -0.006 45.111 45.100 0.030 0.000 0.652 261 G HN 0.579 nan 8.290 nan 0.000 0.531 262 L N -0.548 120.690 121.223 0.026 0.000 3.429 262 L HA 0.250 4.590 4.340 0.001 0.000 0.311 262 L C 1.694 178.576 176.870 0.021 0.000 1.274 262 L CA 0.043 54.897 54.840 0.023 0.000 1.037 262 L CB 0.497 42.571 42.059 0.026 0.000 1.433 262 L HN 0.099 nan 8.230 nan 0.000 0.614 263 E N 0.766 120.978 120.200 0.019 0.000 2.339 263 E HA -0.265 4.086 4.350 0.001 0.000 0.201 263 E C 1.254 177.863 176.600 0.014 0.000 1.015 263 E CA 1.716 58.126 56.400 0.017 0.000 0.841 263 E CB -0.280 29.429 29.700 0.015 0.000 0.754 263 E HN 0.652 nan 8.360 nan 0.000 0.508 264 D N -0.361 120.047 120.400 0.013 0.000 2.384 264 D HA -0.146 4.495 4.640 0.001 0.000 0.222 264 D C 0.341 176.647 176.300 0.009 0.000 0.976 264 D CA 0.477 54.483 54.000 0.010 0.000 0.915 264 D CB -0.035 40.771 40.800 0.009 0.000 0.896 264 D HN -0.055 nan 8.370 nan 0.000 0.523 265 N N -0.118 118.590 118.700 0.013 0.000 2.573 265 N HA 0.343 5.084 4.740 0.001 0.000 0.262 265 N C 0.605 176.128 175.510 0.022 0.000 1.029 265 N CA -0.235 52.823 53.050 0.014 0.000 0.882 265 N CB 1.474 39.971 38.487 0.017 0.000 1.204 265 N HN 0.023 nan 8.380 nan 0.000 0.519 266 A N 2.806 125.635 122.820 0.015 0.000 1.873 266 A HA -0.217 4.103 4.320 0.001 0.000 0.218 266 A C 2.178 179.790 177.584 0.047 0.000 1.193 266 A CA 2.540 54.590 52.037 0.022 0.000 0.629 266 A CB -0.955 18.049 19.000 0.007 0.000 0.826 266 A HN 0.788 nan 8.150 nan 0.000 0.447 267 S N 0.342 116.068 115.700 0.043 0.000 2.353 267 S HA -0.090 4.380 4.470 0.001 0.000 0.222 267 S C 2.158 176.888 174.600 0.216 0.000 1.035 267 S CA 1.916 60.179 58.200 0.104 0.000 1.025 267 S CB -0.957 62.228 63.200 -0.025 0.000 0.902 267 S HN 1.103 nan 8.310 nan 0.000 0.440 268 A N 1.925 124.824 122.820 0.132 0.000 1.877 268 A HA -0.020 4.300 4.320 0.001 0.000 0.216 268 A C 2.519 180.139 177.584 0.059 0.000 1.186 268 A CA 2.124 54.217 52.037 0.094 0.000 0.620 268 A CB -1.396 17.636 19.000 0.054 0.000 0.822 268 A HN 0.654 nan 8.150 nan 0.000 0.443 269 S N 0.467 116.199 115.700 0.053 0.000 2.370 269 S HA -0.111 4.360 4.470 0.001 0.000 0.226 269 S C 2.268 176.893 174.600 0.042 0.000 1.033 269 S CA 1.331 59.554 58.200 0.038 0.000 1.011 269 S CB -0.647 62.572 63.200 0.032 0.000 0.852 269 S HN 0.845 nan 8.310 nan 0.000 0.457 270 A N 1.190 124.051 122.820 0.068 0.000 1.940 270 A HA -0.047 4.273 4.320 0.001 0.000 0.219 270 A C 2.177 179.797 177.584 0.060 0.000 1.176 270 A CA 1.534 53.619 52.037 0.080 0.000 0.631 270 A CB -0.611 18.466 19.000 0.129 0.000 0.814 270 A HN 0.423 nan 8.150 nan 0.000 0.446 271 L N -0.771 120.474 121.223 0.038 0.000 2.071 271 L HA 0.092 4.432 4.340 0.001 0.000 0.201 271 L C 2.147 178.980 176.870 -0.062 0.000 1.076 271 L CA 1.543 56.333 54.840 -0.083 0.000 0.755 271 L CB -0.271 41.613 42.059 -0.291 0.000 0.915 271 L HN 0.347 nan 8.230 nan 0.000 0.445 272 L N -0.394 120.806 121.223 -0.039 0.000 2.341 272 L HA 0.346 4.687 4.340 0.001 0.000 0.214 272 L C 1.176 178.050 176.870 0.007 0.000 1.115 272 L CA 0.249 55.077 54.840 -0.020 0.000 0.820 272 L CB -1.071 40.967 42.059 -0.034 0.000 0.944 272 L HN 0.488 nan 8.230 nan 0.000 0.452 273 G N 1.307 110.113 108.800 0.010 0.000 2.796 273 G HA2 -0.245 3.716 3.960 0.001 0.000 0.571 273 G HA3 -0.245 3.716 3.960 0.001 0.000 0.571 273 G C 0.097 175.011 174.900 0.024 0.000 1.370 273 G CA -0.109 45.002 45.100 0.018 0.000 0.856 273 G HN 0.333 nan 8.290 nan 0.000 0.538 274 I N -2.523 118.061 120.570 0.023 0.000 4.009 274 I HA 0.452 4.623 4.170 0.001 0.000 0.331 274 I C 0.760 176.890 176.117 0.022 0.000 1.462 274 I CA -0.603 60.711 61.300 0.023 0.000 1.117 274 I CB 0.104 38.114 38.000 0.018 0.000 1.091 274 I HN 0.336 nan 8.210 nan 0.000 0.410 275 R N 2.165 122.681 120.500 0.027 0.000 2.490 275 R HA 0.380 4.721 4.340 0.001 0.000 0.278 275 R C 0.579 176.896 176.300 0.029 0.000 1.069 275 R CA -0.127 55.987 56.100 0.023 0.000 1.080 275 R CB 1.284 31.602 30.300 0.029 0.000 1.030 275 R HN 0.444 nan 8.270 nan 0.000 0.491 276 S N 2.272 117.970 115.700 -0.004 0.000 2.617 276 S HA 0.065 4.536 4.470 0.001 0.000 0.269 276 S C 1.350 175.948 174.600 -0.004 0.000 1.292 276 S CA -0.976 57.208 58.200 -0.027 0.000 1.010 276 S CB 0.592 63.705 63.200 -0.146 0.000 0.944 276 S HN 0.924 nan 8.310 nan 0.000 0.536 277 W N 1.439 122.731 121.300 -0.014 0.000 2.363 277 W HA -0.177 4.484 4.660 0.002 0.000 0.296 277 W C 1.088 177.563 176.519 -0.072 0.000 1.212 277 W CA 1.223 58.564 57.345 -0.006 0.000 1.260 277 W CB -1.158 28.339 29.460 0.063 0.000 1.131 277 W HN 0.674 nan 8.180 nan 0.000 0.530 278 Q N 1.168 120.362 119.800 -1.011 0.000 2.135 278 Q HA -0.134 4.207 4.340 0.001 0.000 0.204 278 Q C 2.363 178.175 176.000 -0.313 0.000 0.981 278 Q CA 3.368 58.542 55.803 -1.048 0.000 0.856 278 Q CB -0.930 27.208 28.738 -1.000 0.000 0.902 278 Q HN 0.174 nan 8.270 nan 0.000 0.425 279 T N 0.329 114.774 114.554 -0.182 0.000 2.708 279 T HA -0.145 4.206 4.350 0.001 0.000 0.266 279 T C 1.671 176.385 174.700 0.024 0.000 1.037 279 T CA 1.450 63.524 62.100 -0.043 0.000 1.146 279 T CB -0.135 68.717 68.868 -0.027 0.000 0.865 279 T HN 0.247 nan 8.240 nan 0.000 0.435 280 R N 1.115 121.647 120.500 0.053 0.000 2.073 280 R HA 0.033 4.374 4.340 0.001 0.000 0.234 280 R C 2.838 179.219 176.300 0.134 0.000 1.134 280 R CA 1.310 57.473 56.100 0.106 0.000 0.952 280 R CB -0.575 29.813 30.300 0.147 0.000 0.850 280 R HN 0.343 nan 8.270 nan 0.000 0.433 281 A N 1.381 124.300 122.820 0.165 0.000 1.948 281 A HA -0.160 4.161 4.320 0.001 0.000 0.220 281 A C 2.179 179.901 177.584 0.230 0.000 1.177 281 A CA 1.327 53.501 52.037 0.227 0.000 0.636 281 A CB -0.634 18.511 19.000 0.242 0.000 0.815 281 A HN 0.211 nan 8.150 nan 0.000 0.449 282 L N -0.694 120.646 121.223 0.196 0.000 2.191 282 L HA -0.169 4.172 4.340 0.001 0.000 0.212 282 L C 2.376 179.317 176.870 0.120 0.000 1.103 282 L CA 0.738 55.684 54.840 0.177 0.000 0.769 282 L CB -0.483 41.662 42.059 0.144 0.000 0.908 282 L HN 0.395 nan 8.230 nan 0.000 0.438 283 L N -0.506 120.778 121.223 0.103 0.000 2.131 283 L HA -0.229 4.112 4.340 0.001 0.000 0.210 283 L C 2.415 179.333 176.870 0.079 0.000 1.092 283 L CA 1.209 56.096 54.840 0.079 0.000 0.759 283 L CB -0.416 41.684 42.059 0.068 0.000 0.903 283 L HN 0.246 nan 8.230 nan 0.000 0.435 284 I N 0.130 120.760 120.570 0.101 0.000 2.179 284 I HA -0.328 3.843 4.170 0.001 0.000 0.242 284 I C 2.694 178.862 176.117 0.085 0.000 1.088 284 I CA 1.512 62.867 61.300 0.091 0.000 1.357 284 I CB -0.349 37.720 38.000 0.114 0.000 1.051 284 I HN 0.215 nan 8.210 nan 0.000 0.409 285 K N 1.585 122.044 120.400 0.098 0.000 2.097 285 K HA -0.183 4.137 4.320 0.001 0.000 0.206 285 K C 2.183 178.819 176.600 0.060 0.000 1.049 285 K CA 1.512 57.842 56.287 0.071 0.000 0.933 285 K CB -0.170 32.368 32.500 0.064 0.000 0.717 285 K HN 0.283 nan 8.250 nan 0.000 0.442 286 A N 1.330 124.190 122.820 0.067 0.000 1.883 286 A HA -0.144 4.177 4.320 0.001 0.000 0.217 286 A C 2.141 179.773 177.584 0.080 0.000 1.186 286 A CA 1.590 53.665 52.037 0.063 0.000 0.624 286 A CB -0.720 18.316 19.000 0.059 0.000 0.822 286 A HN 0.361 nan 8.150 nan 0.000 0.444 287 L N -0.819 120.458 121.223 0.089 0.000 2.141 287 L HA -0.148 4.193 4.340 0.001 0.000 0.209 287 L C 2.438 179.402 176.870 0.157 0.000 1.094 287 L CA 0.898 55.822 54.840 0.140 0.000 0.763 287 L CB -0.424 41.691 42.059 0.094 0.000 0.908 287 L HN 0.396 nan 8.230 nan 0.000 0.437 288 I N -0.266 120.357 120.570 0.089 0.000 2.163 288 I HA -0.286 3.885 4.170 0.001 0.000 0.240 288 I C 2.089 178.220 176.117 0.024 0.000 1.081 288 I CA 1.219 62.550 61.300 0.052 0.000 1.353 288 I CB -0.356 37.664 38.000 0.034 0.000 1.054 288 I HN 0.231 nan 8.210 nan 0.000 0.407 289 D N 0.608 121.026 120.400 0.030 0.000 2.190 289 D HA -0.205 4.436 4.640 0.001 0.000 0.200 289 D C 1.906 178.208 176.300 0.003 0.000 0.992 289 D CA 1.130 55.138 54.000 0.013 0.000 0.854 289 D CB -0.292 40.519 40.800 0.019 0.000 0.936 289 D HN 0.461 nan 8.370 nan 0.000 0.462 290 Q N -0.538 119.285 119.800 0.038 0.000 2.415 290 Q HA 0.188 4.529 4.340 0.001 0.000 0.206 290 Q C 1.075 176.955 176.000 -0.199 0.000 0.946 290 Q CA 0.562 56.382 55.803 0.028 0.000 0.951 290 Q CB 0.757 29.620 28.738 0.209 0.000 1.026 290 Q HN 0.326 nan 8.270 nan 0.000 0.510 291 G N 0.986 109.662 108.800 -0.206 0.000 2.137 291 G HA2 -0.282 3.679 3.960 0.001 0.000 0.237 291 G HA3 -0.282 3.679 3.960 0.001 0.000 0.237 291 G C -0.094 174.486 174.900 -0.533 0.000 1.002 291 G CA -0.068 44.821 45.100 -0.352 0.000 0.702 291 G HN 0.405 nan 8.290 nan 0.000 0.515 292 Y N -0.033 120.259 120.300 -0.014 0.000 2.751 292 Y HA 0.356 4.907 4.550 0.001 0.000 0.289 292 Y C 2.386 178.272 175.900 -0.024 0.000 1.110 292 Y CA 0.210 58.298 58.100 -0.020 0.000 1.251 292 Y CB -0.316 38.131 38.460 -0.021 0.000 1.178 292 Y HN 0.479 nan 8.280 nan 0.000 0.540 293 M N -1.190 118.446 119.600 0.060 0.000 2.202 293 M HA -0.201 4.279 4.480 0.001 0.000 0.262 293 M C 1.343 177.659 176.300 0.027 0.000 1.063 293 M CA 1.934 57.256 55.300 0.037 0.000 1.097 293 M CB -0.326 32.276 32.600 0.004 0.000 1.382 293 M HN 0.013 nan 8.290 nan 0.000 0.413 294 K N 0.089 120.505 120.400 0.028 0.000 2.504 294 K HA -0.049 4.271 4.320 0.001 0.000 0.195 294 K C 1.249 177.860 176.600 0.018 0.000 1.036 294 K CA 0.757 57.053 56.287 0.015 0.000 0.984 294 K CB 0.042 32.549 32.500 0.012 0.000 0.788 294 K HN 0.433 nan 8.250 nan 0.000 0.488 295 Q N 0.094 119.923 119.800 0.048 0.000 2.198 295 Q HA 0.257 4.598 4.340 0.001 0.000 0.209 295 Q C -0.638 175.338 176.000 -0.041 0.000 0.848 295 Q CA -0.011 55.799 55.803 0.012 0.000 0.974 295 Q CB 0.647 29.420 28.738 0.058 0.000 1.115 295 Q HN 0.142 nan 8.270 nan 0.000 0.494 296 I N 0.709 121.259 120.570 -0.033 0.000 2.460 296 I HA 0.357 4.527 4.170 0.001 0.000 0.298 296 I C -0.717 175.345 176.117 -0.091 0.000 0.989 296 I CA -0.698 60.569 61.300 -0.056 0.000 1.173 296 I CB 1.445 39.436 38.000 -0.014 0.000 1.338 296 I HN -0.094 nan 8.210 nan 0.000 0.456 297 L N 6.236 127.391 121.223 -0.113 0.000 2.410 297 L HA 0.673 5.014 4.340 0.001 0.000 0.270 297 L C -1.003 175.828 176.870 -0.065 0.000 0.983 297 L CA -0.859 53.910 54.840 -0.119 0.000 0.822 297 L CB 2.201 44.136 42.059 -0.207 0.000 1.285 297 L HN 0.248 nan 8.230 nan 0.000 0.409 298 V N 1.400 121.295 119.914 -0.031 0.000 2.769 298 V HA 0.756 4.876 4.120 0.001 0.000 0.312 298 V C -0.281 175.850 176.094 0.062 0.000 1.061 298 V CA -0.270 62.041 62.300 0.020 0.000 0.931 298 V CB 2.117 33.964 31.823 0.040 0.000 1.010 298 V HN 0.864 nan 8.190 nan 0.000 0.433 299 S N 1.297 117.052 115.700 0.092 0.000 2.757 299 S HA 0.465 4.935 4.470 0.001 0.000 0.285 299 S C 0.062 174.762 174.600 0.166 0.000 1.196 299 S CA -0.572 57.711 58.200 0.139 0.000 0.856 299 S CB 1.884 65.173 63.200 0.149 0.000 1.212 299 S HN 0.791 nan 8.310 nan 0.000 0.516 300 N N 0.702 119.531 118.700 0.215 0.000 2.332 300 N HA 0.100 4.841 4.740 0.001 0.000 0.190 300 N C -0.694 175.086 175.510 0.449 0.000 1.117 300 N CA 0.323 53.544 53.050 0.285 0.000 0.883 300 N CB 0.142 38.775 38.487 0.243 0.000 1.089 300 N HN 0.730 nan 8.380 nan 0.000 0.480 301 D N 0.080 120.706 120.400 0.378 0.000 2.772 301 D HA -0.183 4.457 4.640 0.001 0.000 0.233 301 D C -0.468 176.124 176.300 0.487 0.000 1.143 301 D CA 0.376 54.646 54.000 0.450 0.000 0.700 301 D CB -1.133 39.847 40.800 0.300 0.000 1.076 301 D HN 0.372 nan 8.370 nan 0.000 0.430 302 W N -0.622 120.746 121.300 0.114 0.000 2.166 302 W HA 0.510 5.170 4.660 0.001 0.000 0.364 302 W C 0.099 176.498 176.519 -0.199 0.000 1.344 302 W CA -0.553 56.742 57.345 -0.083 0.000 1.471 302 W CB 0.598 29.954 29.460 -0.173 0.000 1.220 302 W HN 0.057 nan 8.180 nan 0.000 0.666 303 L N -0.766 120.011 121.223 -0.743 0.000 2.838 303 L HA 0.411 4.752 4.340 0.001 0.000 0.266 303 L C -0.772 175.597 176.870 -0.835 0.000 1.040 303 L CA -0.849 53.571 54.840 -0.701 0.000 0.906 303 L CB 0.380 42.117 42.059 -0.535 0.000 1.501 303 L HN 0.321 nan 8.230 nan 0.000 0.407 304 F N -0.518 119.399 119.950 -0.054 0.000 2.724 304 F HA 0.743 5.271 4.527 0.002 0.000 0.306 304 F C 1.122 176.949 175.800 0.046 0.000 1.100 304 F CA -0.067 57.942 58.000 0.016 0.000 1.255 304 F CB 1.078 40.103 39.000 0.043 0.000 1.072 304 F HN 0.742 nan 8.300 nan 0.000 0.589 305 G N -0.362 108.535 108.800 0.161 0.000 2.696 305 G HA2 0.515 4.476 3.960 0.001 0.000 0.295 305 G HA3 0.515 4.476 3.960 0.001 0.000 0.295 305 G C -2.169 172.953 174.900 0.369 0.000 1.398 305 G CA -0.419 44.878 45.100 0.330 0.000 0.920 305 G HN -0.174 nan 8.290 nan 0.000 0.492 306 F N 2.367 122.518 119.950 0.336 0.000 3.287 306 F HA 0.381 4.909 4.527 0.001 0.000 0.379 306 F C 0.749 176.644 175.800 0.159 0.000 1.268 306 F CA -1.529 56.551 58.000 0.134 0.000 1.220 306 F CB 1.493 40.484 39.000 -0.014 0.000 1.687 306 F HN 0.494 nan 8.300 nan 0.000 0.648 307 S N 0.656 116.523 115.700 0.279 0.000 2.517 307 S HA 0.003 4.473 4.470 0.001 0.000 0.214 307 S C 1.233 175.590 174.600 -0.405 0.000 0.991 307 S CA 0.617 58.612 58.200 -0.341 0.000 0.906 307 S CB -0.201 62.365 63.200 -1.058 0.000 0.789 307 S HN 0.492 nan 8.310 nan 0.000 0.513 308 S N 0.077 115.728 115.700 -0.083 0.000 2.803 308 S HA 0.357 4.828 4.470 0.001 0.000 0.228 308 S C -0.264 174.364 174.600 0.048 0.000 0.953 308 S CA -0.559 57.633 58.200 -0.013 0.000 0.983 308 S CB -0.716 62.566 63.200 0.135 0.000 0.784 308 S HN 0.590 nan 8.310 nan 0.000 0.498 309 Y N 0.479 120.529 120.300 -0.418 0.000 2.974 309 Y HA 0.542 5.093 4.550 0.001 0.000 0.310 309 Y C -0.357 175.332 175.900 -0.353 0.000 1.526 309 Y CA -1.665 56.147 58.100 -0.480 0.000 1.087 309 Y CB 0.879 38.769 38.460 -0.949 0.000 1.404 309 Y HN 0.116 nan 8.280 nan 0.000 0.491 310 V N 0.489 119.989 119.914 -0.689 0.000 2.963 310 V HA 0.289 4.410 4.120 0.001 0.000 0.306 310 V C 0.036 176.000 176.094 -0.216 0.000 1.077 310 V CA -0.493 61.542 62.300 -0.442 0.000 1.124 310 V CB -0.006 31.517 31.823 -0.500 0.000 0.987 310 V HN 0.732 nan 8.190 nan 0.000 0.487 311 T N 4.828 119.306 114.554 -0.126 0.000 2.928 311 T HA 0.153 4.504 4.350 0.001 0.000 0.305 311 T C 0.877 175.507 174.700 -0.118 0.000 1.035 311 T CA 0.884 62.935 62.100 -0.081 0.000 1.145 311 T CB -0.270 68.554 68.868 -0.073 0.000 0.963 311 T HN 1.043 nan 8.240 nan 0.000 0.545 312 N N 0.073 118.692 118.700 -0.134 0.000 2.925 312 N HA -0.167 4.574 4.740 0.001 0.000 0.244 312 N C 0.790 176.267 175.510 -0.055 0.000 1.000 312 N CA 0.582 53.571 53.050 -0.101 0.000 0.895 312 N CB -1.417 37.015 38.487 -0.091 0.000 1.119 312 N HN 0.615 nan 8.380 nan 0.000 0.569 313 I N 0.682 121.216 120.570 -0.060 0.000 2.335 313 I HA -0.140 4.030 4.170 0.001 0.000 0.251 313 I C 2.274 178.400 176.117 0.015 0.000 1.129 313 I CA 1.469 62.755 61.300 -0.023 0.000 1.402 313 I CB -0.071 37.883 38.000 -0.076 0.000 1.069 313 I HN 0.221 nan 8.210 nan 0.000 0.424 314 M N -0.182 119.438 119.600 0.034 0.000 2.108 314 M HA -0.221 4.259 4.480 0.001 0.000 0.261 314 M C 1.868 178.199 176.300 0.051 0.000 1.066 314 M CA 1.741 57.076 55.300 0.058 0.000 1.107 314 M CB -1.149 31.509 32.600 0.098 0.000 1.356 314 M HN 0.253 nan 8.290 nan 0.000 0.406 315 D N 0.263 120.683 120.400 0.032 0.000 2.116 315 D HA -0.139 4.502 4.640 0.001 0.000 0.193 315 D C 2.131 178.460 176.300 0.047 0.000 0.998 315 D CA 1.192 55.214 54.000 0.037 0.000 0.836 315 D CB -0.521 40.286 40.800 0.011 0.000 0.951 315 D HN 0.161 nan 8.370 nan 0.000 0.449 316 V N 0.872 120.806 119.914 0.034 0.000 2.287 316 V HA -0.273 3.848 4.120 0.001 0.000 0.248 316 V C 2.553 178.683 176.094 0.061 0.000 1.053 316 V CA 1.567 63.890 62.300 0.038 0.000 1.027 316 V CB -0.442 31.397 31.823 0.028 0.000 0.646 316 V HN 0.216 nan 8.190 nan 0.000 0.447 317 M N -0.345 119.287 119.600 0.053 0.000 2.117 317 M HA -0.194 4.287 4.480 0.001 0.000 0.262 317 M C 1.962 178.449 176.300 0.311 0.000 1.065 317 M CA 1.844 57.202 55.300 0.097 0.000 1.114 317 M CB -0.655 31.826 32.600 -0.198 0.000 1.361 317 M HN 0.345 nan 8.290 nan 0.000 0.408 318 D N -0.203 120.342 120.400 0.242 0.000 2.178 318 D HA -0.108 4.532 4.640 0.001 0.000 0.201 318 D C 2.015 178.412 176.300 0.161 0.000 0.980 318 D CA 1.057 55.217 54.000 0.266 0.000 0.842 318 D CB -0.269 40.660 40.800 0.214 0.000 0.948 318 D HN 0.342 nan 8.370 nan 0.000 0.472 319 R N 0.252 120.821 120.500 0.115 0.000 2.066 319 R HA -0.050 4.291 4.340 0.001 0.000 0.232 319 R C 2.380 178.717 176.300 0.062 0.000 1.131 319 R CA 0.570 56.714 56.100 0.073 0.000 0.955 319 R CB -0.178 30.156 30.300 0.056 0.000 0.851 319 R HN 0.019 nan 8.270 nan 0.000 0.432 320 V N 0.932 120.892 119.914 0.077 0.000 2.343 320 V HA -0.181 3.940 4.120 0.001 0.000 0.247 320 V C 0.608 176.686 176.094 -0.028 0.000 1.051 320 V CA 1.415 63.741 62.300 0.043 0.000 1.036 320 V CB -0.462 31.397 31.823 0.060 0.000 0.654 320 V HN 0.364 nan 8.190 nan 0.000 0.451 321 N N -0.305 118.374 118.700 -0.035 0.000 2.727 321 N HA 0.246 4.987 4.740 0.001 0.000 0.252 321 N C -1.945 173.449 175.510 -0.194 0.000 1.283 321 N CA -1.693 51.190 53.050 -0.278 0.000 0.782 321 N CB 1.545 39.526 38.487 -0.842 0.000 1.199 321 N HN -0.007 nan 8.380 nan 0.000 0.520 322 P HA -0.042 nan 4.420 nan 0.000 0.222 322 P C 0.119 177.389 177.300 -0.050 0.000 1.147 322 P CA 1.022 64.113 63.100 -0.015 0.000 0.790 322 P CB 0.450 32.152 31.700 0.004 0.000 0.780 323 D N -0.700 119.635 120.400 -0.107 0.000 2.347 323 D HA 0.035 4.676 4.640 0.001 0.000 0.215 323 D C 1.654 177.845 176.300 -0.182 0.000 0.976 323 D CA 1.108 55.047 54.000 -0.101 0.000 0.884 323 D CB -0.227 40.531 40.800 -0.070 0.000 0.915 323 D HN 0.129 nan 8.370 nan 0.000 0.526 324 G N 1.757 110.298 108.800 -0.433 0.000 2.634 324 G HA2 -0.407 3.553 3.960 0.001 0.000 0.309 324 G HA3 -0.407 3.553 3.960 0.001 0.000 0.309 324 G C 1.069 175.630 174.900 -0.565 0.000 1.265 324 G CA 0.614 45.274 45.100 -0.733 0.000 0.998 324 G HN 0.263 nan 8.290 nan 0.000 0.551 325 M N 1.080 120.579 119.600 -0.168 0.000 2.460 325 M HA 0.102 4.583 4.480 0.001 0.000 0.263 325 M C 2.699 178.997 176.300 -0.003 0.000 1.071 325 M CA 1.634 56.927 55.300 -0.011 0.000 1.096 325 M CB -0.203 32.475 32.600 0.131 0.000 1.408 325 M HN 0.697 nan 8.290 nan 0.000 0.463 326 A N -0.428 122.368 122.820 -0.040 0.000 2.235 326 A HA -0.046 4.274 4.320 0.001 0.000 0.208 326 A C 1.786 179.315 177.584 -0.092 0.000 1.172 326 A CA 0.209 52.204 52.037 -0.070 0.000 0.786 326 A CB -0.900 18.052 19.000 -0.080 0.000 0.804 326 A HN 0.510 nan 8.150 nan 0.000 0.479 327 F N 0.936 120.742 119.950 -0.241 0.000 2.091 327 F HA -0.253 4.275 4.527 0.001 0.000 0.299 327 F C 1.914 177.587 175.800 -0.212 0.000 1.103 327 F CA 1.799 59.621 58.000 -0.297 0.000 1.228 327 F CB -0.011 38.739 39.000 -0.417 0.000 0.984 327 F HN 0.204 nan 8.300 nan 0.000 0.477 328 I N 1.474 122.052 120.570 0.014 0.000 2.099 328 I HA -0.215 3.956 4.170 0.001 0.000 0.239 328 I C -0.334 175.762 176.117 -0.034 0.000 1.066 328 I CA 1.833 63.145 61.300 0.020 0.000 1.324 328 I CB -2.998 35.117 38.000 0.191 0.000 1.037 328 I HN 0.141 nan 8.210 nan 0.000 0.401 329 P HA -0.068 nan 4.420 nan 0.000 0.220 329 P C 2.214 179.446 177.300 -0.113 0.000 1.152 329 P CA 1.307 64.386 63.100 -0.035 0.000 0.812 329 P CB 0.014 31.582 31.700 -0.219 0.000 0.792 330 L N -1.394 119.711 121.223 -0.197 0.000 2.209 330 L HA 0.024 4.365 4.340 0.001 0.000 0.207 330 L C 2.741 179.432 176.870 -0.298 0.000 1.094 330 L CA 1.046 55.756 54.840 -0.217 0.000 0.790 330 L CB -0.354 41.575 42.059 -0.217 0.000 0.932 330 L HN -0.094 nan 8.230 nan 0.000 0.447 331 R N -1.050 119.124 120.500 -0.543 0.000 2.144 331 R HA 0.120 4.461 4.340 0.001 0.000 0.195 331 R C 2.169 178.221 176.300 -0.412 0.000 1.077 331 R CA 0.602 56.295 56.100 -0.679 0.000 1.120 331 R CB -0.398 29.030 30.300 -1.454 0.000 1.060 331 R HN 0.077 nan 8.270 nan 0.000 0.520 332 V N 2.672 122.313 119.914 -0.455 0.000 2.261 332 V HA -0.212 3.909 4.120 0.001 0.000 0.246 332 V C 2.509 178.697 176.094 0.157 0.000 1.047 332 V CA 1.564 63.849 62.300 -0.024 0.000 1.015 332 V CB -0.459 31.371 31.823 0.011 0.000 0.642 332 V HN 0.112 nan 8.190 nan 0.000 0.446 333 I N 0.328 120.947 120.570 0.082 0.000 2.163 333 I HA -0.123 4.048 4.170 0.001 0.000 0.243 333 I C 0.146 176.330 176.117 0.111 0.000 1.085 333 I CA 1.733 63.099 61.300 0.111 0.000 1.347 333 I CB -2.911 35.157 38.000 0.114 0.000 1.044 333 I HN 0.350 nan 8.210 nan 0.000 0.408 334 P HA -0.187 nan 4.420 nan 0.000 0.216 334 P C 2.095 179.484 177.300 0.148 0.000 1.153 334 P CA 1.323 64.478 63.100 0.091 0.000 0.848 334 P CB -0.249 31.488 31.700 0.062 0.000 0.787 335 F N 0.450 120.447 119.950 0.079 0.000 2.095 335 F HA -0.184 4.344 4.527 0.001 0.000 0.298 335 F C 2.047 177.900 175.800 0.089 0.000 1.104 335 F CA 1.507 59.587 58.000 0.132 0.000 1.232 335 F CB -0.785 38.392 39.000 0.296 0.000 0.987 335 F HN -0.279 nan 8.300 nan 0.000 0.475 336 L N -0.249 121.089 121.223 0.192 0.000 2.083 336 L HA -0.193 4.148 4.340 0.001 0.000 0.209 336 L C 2.721 179.573 176.870 -0.030 0.000 1.083 336 L CA 0.920 55.794 54.840 0.055 0.000 0.752 336 L CB -0.747 41.395 42.059 0.137 0.000 0.899 336 L HN 0.064 nan 8.230 nan 0.000 0.433 337 R N 0.634 121.136 120.500 0.003 0.000 2.080 337 R HA -0.216 4.124 4.340 0.001 0.000 0.236 337 R C 2.117 178.384 176.300 -0.055 0.000 1.137 337 R CA 1.851 57.943 56.100 -0.012 0.000 0.943 337 R CB -0.489 29.817 30.300 0.010 0.000 0.846 337 R HN 0.443 nan 8.270 nan 0.000 0.431 338 E N 0.740 120.891 120.200 -0.082 0.000 2.209 338 E HA -0.171 4.179 4.350 0.001 0.000 0.196 338 E C 0.586 177.080 176.600 -0.176 0.000 0.993 338 E CA 1.091 57.420 56.400 -0.117 0.000 0.819 338 E CB 0.140 29.775 29.700 -0.109 0.000 0.745 338 E HN 0.199 nan 8.360 nan 0.000 0.477 339 K N -0.747 119.510 120.400 -0.238 0.000 2.437 339 K HA 0.106 4.426 4.320 0.001 0.000 0.198 339 K C 0.867 177.393 176.600 -0.123 0.000 1.024 339 K CA 0.564 56.714 56.287 -0.229 0.000 1.148 339 K CB 0.936 33.238 32.500 -0.331 0.000 0.860 339 K HN 0.310 nan 8.250 nan 0.000 0.515 340 G N 0.857 109.604 108.800 -0.087 0.000 2.195 340 G HA2 -0.235 3.726 3.960 0.001 0.000 0.224 340 G HA3 -0.235 3.726 3.960 0.001 0.000 0.224 340 G C 0.210 175.089 174.900 -0.036 0.000 0.990 340 G CA -0.208 44.860 45.100 -0.054 0.000 0.639 340 G HN 0.114 nan 8.290 nan 0.000 0.514 341 V N 3.232 123.127 119.914 -0.032 0.000 2.479 341 V HA 0.383 4.504 4.120 0.001 0.000 0.281 341 V C -1.375 174.715 176.094 -0.007 0.000 1.031 341 V CA -0.979 61.314 62.300 -0.012 0.000 1.038 341 V CB 0.928 32.754 31.823 0.005 0.000 0.981 341 V HN 0.214 nan 8.190 nan 0.000 0.478 342 P HA 0.149 nan 4.420 nan 0.000 0.271 342 P C 0.462 177.763 177.300 0.002 0.000 1.216 342 P CA -0.232 62.865 63.100 -0.004 0.000 0.776 342 P CB 0.845 32.541 31.700 -0.007 0.000 0.881 343 Q N 2.314 122.117 119.800 0.005 0.000 2.096 343 Q HA -0.266 4.075 4.340 0.001 0.000 0.208 343 Q C 1.800 177.806 176.000 0.009 0.000 0.993 343 Q CA 2.108 57.919 55.803 0.013 0.000 0.862 343 Q CB -0.562 28.186 28.738 0.016 0.000 0.915 343 Q HN 0.508 nan 8.270 nan 0.000 0.416 344 E N -1.448 118.754 120.200 0.003 0.000 2.097 344 E HA -0.207 4.144 4.350 0.001 0.000 0.196 344 E C 1.862 178.458 176.600 -0.007 0.000 1.000 344 E CA 1.691 58.090 56.400 -0.001 0.000 0.804 344 E CB -0.065 29.633 29.700 -0.003 0.000 0.740 344 E HN 0.402 nan 8.360 nan 0.000 0.454 345 T N 0.966 115.516 114.554 -0.007 0.000 2.788 345 T HA -0.103 4.248 4.350 0.001 0.000 0.268 345 T C 1.820 176.512 174.700 -0.014 0.000 1.044 345 T CA 0.707 62.800 62.100 -0.010 0.000 1.139 345 T CB -0.096 68.768 68.868 -0.007 0.000 0.867 345 T HN 0.117 nan 8.240 nan 0.000 0.454 346 L N 0.634 121.853 121.223 -0.007 0.000 2.083 346 L HA -0.071 4.270 4.340 0.001 0.000 0.209 346 L C 3.009 179.850 176.870 -0.047 0.000 1.083 346 L CA 1.165 55.998 54.840 -0.011 0.000 0.752 346 L CB -0.646 41.424 42.059 0.019 0.000 0.899 346 L HN 0.247 nan 8.230 nan 0.000 0.433 347 A N 0.311 123.112 122.820 -0.032 0.000 1.897 347 A HA -0.062 4.259 4.320 0.001 0.000 0.215 347 A C 2.414 179.955 177.584 -0.071 0.000 1.181 347 A CA 1.463 53.471 52.037 -0.047 0.000 0.620 347 A CB -1.120 17.874 19.000 -0.010 0.000 0.821 347 A HN 0.416 nan 8.150 nan 0.000 0.443 348 G N 0.043 108.815 108.800 -0.048 0.000 2.442 348 G HA2 -0.194 3.766 3.960 0.001 0.000 0.219 348 G HA3 -0.194 3.766 3.960 0.001 0.000 0.219 348 G C 1.496 176.357 174.900 -0.066 0.000 1.141 348 G CA 1.201 46.274 45.100 -0.045 0.000 0.763 348 G HN 0.476 nan 8.290 nan 0.000 0.554 349 I N 1.236 121.759 120.570 -0.078 0.000 2.353 349 I HA -0.091 4.079 4.170 0.001 0.000 0.248 349 I C 2.999 179.019 176.117 -0.162 0.000 1.119 349 I CA 1.654 62.898 61.300 -0.093 0.000 1.417 349 I CB -0.095 37.865 38.000 -0.066 0.000 1.078 349 I HN 0.307 nan 8.210 nan 0.000 0.421 350 T N -3.022 111.370 114.554 -0.270 0.000 3.067 350 T HA 0.132 4.483 4.350 0.001 0.000 0.257 350 T C 1.390 175.827 174.700 -0.437 0.000 1.105 350 T CA 0.384 62.166 62.100 -0.529 0.000 1.104 350 T CB 0.144 68.359 68.868 -1.088 0.000 0.925 350 T HN 0.095 nan 8.240 nan 0.000 0.498 351 V N 0.956 120.730 119.914 -0.233 0.000 3.001 351 V HA 0.047 4.168 4.120 0.001 0.000 0.228 351 V C 2.794 178.855 176.094 -0.055 0.000 1.204 351 V CA 1.148 63.381 62.300 -0.113 0.000 1.247 351 V CB -0.394 31.393 31.823 -0.060 0.000 1.093 351 V HN 0.378 nan 8.190 nan 0.000 0.504 352 T N 1.117 115.642 114.554 -0.048 0.000 2.708 352 T HA -0.162 4.188 4.350 0.001 0.000 0.266 352 T C 1.773 176.467 174.700 -0.010 0.000 1.037 352 T CA 1.895 63.981 62.100 -0.023 0.000 1.146 352 T CB -0.366 68.491 68.868 -0.020 0.000 0.865 352 T HN 0.328 nan 8.240 nan 0.000 0.435 353 N N 1.671 120.357 118.700 -0.023 0.000 2.069 353 N HA -0.051 4.689 4.740 0.001 0.000 0.191 353 N C -0.942 174.591 175.510 0.039 0.000 1.031 353 N CA 1.221 54.266 53.050 -0.008 0.000 0.852 353 N CB -1.565 36.895 38.487 -0.046 0.000 1.018 353 N HN 0.342 nan 8.380 nan 0.000 0.423 354 P HA -0.041 nan 4.420 nan 0.000 0.216 354 P C 1.127 178.495 177.300 0.114 0.000 1.153 354 P CA 1.590 64.749 63.100 0.099 0.000 0.848 354 P CB -0.103 31.627 31.700 0.050 0.000 0.787 355 A N 0.089 122.939 122.820 0.051 0.000 1.865 355 A HA -0.233 4.088 4.320 0.001 0.000 0.217 355 A C 2.430 180.034 177.584 0.033 0.000 1.191 355 A CA 1.771 53.825 52.037 0.029 0.000 0.623 355 A CB -1.316 17.691 19.000 0.011 0.000 0.826 355 A HN 0.006 nan 8.150 nan 0.000 0.444 356 R N -2.151 118.378 120.500 0.048 0.000 2.091 356 R HA -0.148 4.193 4.340 0.001 0.000 0.238 356 R C 2.002 178.353 176.300 0.085 0.000 1.136 356 R CA 1.699 57.828 56.100 0.049 0.000 0.959 356 R CB -0.437 29.892 30.300 0.049 0.000 0.856 356 R HN 0.582 nan 8.270 nan 0.000 0.437 357 F N 1.181 121.105 119.950 -0.043 0.000 2.075 357 F HA -0.152 4.375 4.527 0.001 0.000 0.297 357 F C 1.801 177.569 175.800 -0.052 0.000 1.113 357 F CA 1.484 59.455 58.000 -0.047 0.000 1.218 357 F CB -0.363 38.612 39.000 -0.041 0.000 0.984 357 F HN -0.071 nan 8.300 nan 0.000 0.472 358 L N -0.417 120.735 121.223 -0.119 0.000 2.217 358 L HA -0.080 4.261 4.340 0.001 0.000 0.211 358 L C 1.040 177.798 176.870 -0.187 0.000 1.107 358 L CA 0.359 55.063 54.840 -0.226 0.000 0.783 358 L CB -0.845 41.156 42.059 -0.097 0.000 0.919 358 L HN -0.108 nan 8.230 nan 0.000 0.442 359 S N 1.233 116.863 115.700 -0.117 0.000 2.555 359 S HA 0.091 4.561 4.470 0.001 0.000 0.293 359 S C -2.151 172.374 174.600 -0.125 0.000 1.248 359 S CA -0.940 57.200 58.200 -0.099 0.000 1.096 359 S CB -0.009 63.153 63.200 -0.063 0.000 0.881 359 S HN -0.008 nan 8.310 nan 0.000 0.498 360 P HA 0.090 nan 4.420 nan 0.000 0.261 360 P C -0.657 176.583 177.300 -0.101 0.000 1.183 360 P CA 0.240 63.264 63.100 -0.126 0.000 0.761 360 P CB 0.249 31.883 31.700 -0.111 0.000 0.785 361 T N 4.455 118.947 114.554 -0.104 0.000 2.949 361 T HA 0.409 4.759 4.350 0.001 0.000 0.300 361 T C -0.073 174.584 174.700 -0.073 0.000 0.988 361 T CA -0.535 61.517 62.100 -0.079 0.000 0.993 361 T CB 0.424 69.247 68.868 -0.075 0.000 0.984 361 T HN 0.108 nan 8.240 nan 0.000 0.442 362 L N 2.293 123.480 121.223 -0.059 0.000 2.379 362 L HA 0.774 5.115 4.340 0.001 0.000 0.269 362 L C 1.269 178.114 176.870 -0.042 0.000 1.084 362 L CA -1.064 53.745 54.840 -0.051 0.000 0.802 362 L CB 0.447 42.480 42.059 -0.043 0.000 1.175 362 L HN 0.735 nan 8.230 nan 0.000 0.448 363 R N 0.000 120.477 120.500 -0.038 0.000 2.786 363 R HA 0.000 4.341 4.340 0.001 0.000 0.208 363 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 363 R CB 0.000 30.284 30.300 -0.027 0.000 0.687 363 R HN 0.000 nan 8.270 nan 0.000 0.535