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 2vtb_1_B DATA FIRST_RESID 2 DATA SEQUENCE DHIHRVPALT EEEIDSVAIK TFERYALPSS SSVKRKGKGV TILWFRNDLR DATA SEQUENCE VLDNDALYKA WSSSDTILPV YCLDPRLFHT THFFNFPKTG ALRGGFLMEC DATA SEQUENCE LVDLRKNLMK RGLNLLIRSG KPEEILPSLA KDFGARTVFA HKETCSEEVD DATA SEQUENCE VERLVNQGLK RVGNSTKLEL IWGSTMYHKD DLPFDVFDLP DVYTQFRKSV DATA SEQUENCE EAKCSIRSST RIPLSLGPTP SVDDWGDVPT LEKLGVEPQE VTRGMRFVGG DATA SEQUENCE ESAGVGRVFE YFWKKDLLKV YKETRNGMLG PDYSTKFSPW LAFGCISPRF DATA SEQUENCE IYEEVQRYEK ERVANNSTYW VLFELIWRDY FRFLSIKCGN SLFHLGGPRN DATA SEQUENCE VNGKWSQDQK LFESWRDAKT GYPLIDANMK ELSTTGFMSN RGRQIVCSFL DATA SEQUENCE VRDMGLDWRM GAEWFETCLL DYDPCSNYGN WTYGAGVNDP XXXXRYFSIP DATA SEQUENCE KQAQNYDPEG EYVAFWLQQL RRLPKEKRHW PGRLMYMDTV VPLKH 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.337 176.300 0.061 0.000 2.045 2 D CA 0.000 54.003 54.000 0.005 0.000 0.868 2 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 3 H N 0.322 119.331 119.070 -0.102 0.000 2.770 3 H HA -0.121 4.435 4.556 -0.001 0.000 0.309 3 H C -0.576 174.529 175.328 -0.372 0.000 1.206 3 H CA 0.949 56.907 56.048 -0.150 0.000 1.147 3 H CB -1.965 27.773 29.762 -0.039 0.000 1.422 3 H HN 0.449 nan 8.280 nan 0.000 0.420 4 I N 0.919 121.344 120.570 -0.241 0.000 2.359 4 I HA 0.243 4.413 4.170 -0.001 0.000 0.294 4 I C 0.439 176.414 176.117 -0.237 0.000 0.987 4 I CA -0.351 60.817 61.300 -0.220 0.000 1.225 4 I CB 1.050 39.015 38.000 -0.059 0.000 1.366 4 I HN 0.298 nan 8.210 nan 0.000 0.466 5 H N 5.449 124.546 119.070 0.045 0.000 2.638 5 H HA 0.407 4.962 4.556 -0.001 0.000 0.317 5 H C -0.642 174.661 175.328 -0.042 0.000 1.006 5 H CA -0.884 55.160 56.048 -0.006 0.000 1.222 5 H CB 0.949 30.695 29.762 -0.027 0.000 1.419 5 H HN 0.407 nan 8.280 nan 0.000 0.489 6 R N 2.114 122.662 120.500 0.080 0.000 2.491 6 R HA 0.248 4.587 4.340 -0.001 0.000 0.283 6 R C -0.696 175.596 176.300 -0.012 0.000 1.072 6 R CA -0.277 55.843 56.100 0.033 0.000 1.048 6 R CB 0.798 31.129 30.300 0.051 0.000 0.983 6 R HN 0.297 nan 8.270 nan 0.000 0.450 7 V N 5.940 125.812 119.914 -0.070 0.000 2.407 7 V HA 0.283 4.403 4.120 -0.001 0.000 0.291 7 V C -1.899 174.343 176.094 0.245 0.000 1.018 7 V CA -2.099 60.160 62.300 -0.068 0.000 0.842 7 V CB 1.492 33.007 31.823 -0.513 0.000 0.996 7 V HN 0.740 nan 8.190 nan 0.000 0.426 8 P HA 0.198 nan 4.420 nan 0.000 0.274 8 P C -0.045 177.287 177.300 0.054 0.000 1.246 8 P CA -0.388 62.755 63.100 0.072 0.000 0.795 8 P CB 1.168 32.888 31.700 0.033 0.000 1.006 9 A N 2.030 124.874 122.820 0.039 0.000 2.840 9 A HA 0.302 4.622 4.320 -0.001 0.000 0.269 9 A C 0.452 178.064 177.584 0.047 0.000 1.439 9 A CA -0.133 51.926 52.037 0.037 0.000 1.083 9 A CB -1.401 17.611 19.000 0.021 0.000 1.019 9 A HN 0.393 nan 8.150 nan 0.000 0.607 10 L N 0.436 121.690 121.223 0.052 0.000 2.334 10 L HA 0.429 4.769 4.340 -0.001 0.000 0.273 10 L C 0.961 177.849 176.870 0.031 0.000 1.013 10 L CA -0.845 54.025 54.840 0.049 0.000 0.816 10 L CB 1.942 44.035 42.059 0.057 0.000 1.278 10 L HN 0.429 nan 8.230 nan 0.000 0.431 11 T N -2.706 111.860 114.554 0.020 0.000 2.802 11 T HA 0.060 4.409 4.350 -0.001 0.000 0.305 11 T C 1.000 175.698 174.700 -0.002 0.000 1.053 11 T CA -0.644 61.462 62.100 0.010 0.000 1.058 11 T CB 0.924 69.794 68.868 0.004 0.000 0.988 11 T HN 0.546 nan 8.240 nan 0.000 0.539 12 E N 0.750 120.947 120.200 -0.005 0.000 2.130 12 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 12 E C 1.941 178.523 176.600 -0.031 0.000 0.998 12 E CA 1.430 57.821 56.400 -0.016 0.000 0.806 12 E CB -0.158 29.533 29.700 -0.014 0.000 0.738 12 E HN 0.753 nan 8.360 nan 0.000 0.459 13 E N 0.682 120.864 120.200 -0.029 0.000 2.112 13 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 13 E C 1.892 178.459 176.600 -0.054 0.000 0.979 13 E CA 0.657 57.034 56.400 -0.039 0.000 0.814 13 E CB 0.014 29.695 29.700 -0.031 0.000 0.762 13 E HN 0.305 nan 8.360 nan 0.000 0.460 14 E N 0.035 120.208 120.200 -0.044 0.000 2.077 14 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 14 E C 2.034 178.576 176.600 -0.097 0.000 0.989 14 E CA 0.907 57.272 56.400 -0.059 0.000 0.800 14 E CB -0.129 29.561 29.700 -0.016 0.000 0.746 14 E HN 0.287 nan 8.360 nan 0.000 0.452 15 I N 1.623 122.146 120.570 -0.077 0.000 2.208 15 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 15 I C 1.875 177.903 176.117 -0.149 0.000 1.097 15 I CA 1.052 62.288 61.300 -0.106 0.000 1.363 15 I CB -0.266 37.691 38.000 -0.072 0.000 1.051 15 I HN 0.060 nan 8.210 nan 0.000 0.413 16 D N 0.557 120.887 120.400 -0.116 0.000 2.097 16 D HA -0.138 4.501 4.640 -0.001 0.000 0.195 16 D C 2.389 178.595 176.300 -0.156 0.000 0.989 16 D CA 1.454 55.384 54.000 -0.117 0.000 0.827 16 D CB -0.209 40.545 40.800 -0.076 0.000 0.966 16 D HN 0.219 nan 8.370 nan 0.000 0.456 17 S N 0.206 115.814 115.700 -0.154 0.000 2.356 17 S HA -0.106 4.363 4.470 -0.001 0.000 0.223 17 S C 2.383 176.827 174.600 -0.261 0.000 1.032 17 S CA 0.696 58.791 58.200 -0.177 0.000 1.005 17 S CB -0.287 62.820 63.200 -0.155 0.000 0.867 17 S HN 0.087 nan 8.310 nan 0.000 0.449 18 V N 2.078 121.796 119.914 -0.327 0.000 2.343 18 V HA -0.182 3.938 4.120 -0.001 0.000 0.247 18 V C 2.652 178.489 176.094 -0.428 0.000 1.051 18 V CA 1.625 63.655 62.300 -0.450 0.000 1.036 18 V CB -1.288 30.224 31.823 -0.518 0.000 0.654 18 V HN 0.535 nan 8.190 nan 0.000 0.451 19 A N 0.078 122.627 122.820 -0.452 0.000 1.877 19 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 19 A C 2.200 179.247 177.584 -0.896 0.000 1.186 19 A CA 2.025 53.602 52.037 -0.767 0.000 0.620 19 A CB -0.594 18.015 19.000 -0.652 0.000 0.822 19 A HN 0.481 nan 8.150 nan 0.000 0.443 20 I N -0.386 119.928 120.570 -0.427 0.000 2.151 20 I HA -0.338 3.832 4.170 -0.001 0.000 0.243 20 I C 2.550 178.566 176.117 -0.167 0.000 1.080 20 I CA 1.898 63.090 61.300 -0.179 0.000 1.339 20 I CB -0.252 37.690 38.000 -0.095 0.000 1.039 20 I HN 0.312 nan 8.210 nan 0.000 0.409 21 K N -0.092 120.176 120.400 -0.219 0.000 2.057 21 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 21 K C 2.103 178.619 176.600 -0.139 0.000 1.049 21 K CA 1.894 58.077 56.287 -0.175 0.000 0.931 21 K CB -0.290 32.079 32.500 -0.218 0.000 0.714 21 K HN 0.358 nan 8.250 nan 0.000 0.440 22 T N 1.042 115.473 114.554 -0.206 0.000 2.737 22 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 22 T C 1.666 176.427 174.700 0.102 0.000 1.038 22 T CA 1.233 63.302 62.100 -0.052 0.000 1.144 22 T CB -0.363 68.402 68.868 -0.172 0.000 0.866 22 T HN 0.174 nan 8.240 nan 0.000 0.434 23 F N 1.481 121.427 119.950 -0.007 0.000 2.134 23 F HA -0.096 4.430 4.527 -0.001 0.000 0.299 23 F C 2.710 178.512 175.800 0.003 0.000 1.097 23 F CA 0.785 58.774 58.000 -0.017 0.000 1.264 23 F CB -0.291 38.669 39.000 -0.066 0.000 1.001 23 F HN 0.220 nan 8.300 nan 0.000 0.479 24 E N 0.205 120.496 120.200 0.151 0.000 2.072 24 E HA -0.226 4.123 4.350 -0.001 0.000 0.191 24 E C 2.180 178.785 176.600 0.007 0.000 0.985 24 E CA 0.709 57.141 56.400 0.054 0.000 0.801 24 E CB -0.243 29.459 29.700 0.004 0.000 0.750 24 E HN 0.314 nan 8.360 nan 0.000 0.452 25 R N 0.194 120.677 120.500 -0.029 0.000 2.091 25 R HA -0.187 4.152 4.340 -0.001 0.000 0.238 25 R C 1.261 177.413 176.300 -0.247 0.000 1.136 25 R CA 1.560 57.554 56.100 -0.177 0.000 0.959 25 R CB -0.115 30.024 30.300 -0.269 0.000 0.856 25 R HN 0.218 nan 8.270 nan 0.000 0.437 26 Y N -0.130 120.203 120.300 0.055 0.000 2.457 26 Y HA 0.382 4.931 4.550 -0.001 0.000 0.263 26 Y C 0.681 176.595 175.900 0.024 0.000 1.164 26 Y CA -0.080 58.056 58.100 0.059 0.000 1.274 26 Y CB 0.359 38.878 38.460 0.098 0.000 1.097 26 Y HN 0.132 nan 8.280 nan 0.000 0.523 27 A N 1.034 123.922 122.820 0.113 0.000 2.498 27 A HA 0.121 4.441 4.320 -0.001 0.000 0.239 27 A C 0.024 177.620 177.584 0.021 0.000 1.068 27 A CA -0.368 51.695 52.037 0.044 0.000 0.766 27 A CB -0.033 18.977 19.000 0.016 0.000 1.003 27 A HN 0.422 nan 8.150 nan 0.000 0.497 28 L N 4.809 126.029 121.223 -0.006 0.000 2.433 28 L HA 0.235 4.575 4.340 -0.001 0.000 0.275 28 L C -1.679 175.191 176.870 0.000 0.000 1.128 28 L CA -1.810 53.030 54.840 -0.000 0.000 0.875 28 L CB 0.983 43.039 42.059 -0.005 0.000 1.171 28 L HN 0.503 nan 8.230 nan 0.000 0.463 29 P HA 0.040 nan 4.420 nan 0.000 0.273 29 P C -0.070 177.247 177.300 0.028 0.000 1.319 29 P CA 0.405 63.512 63.100 0.012 0.000 0.885 29 P CB 0.855 32.561 31.700 0.010 0.000 1.015 30 S N 3.661 119.377 115.700 0.026 0.000 3.722 30 S HA -0.140 4.330 4.470 -0.001 0.000 0.687 30 S C -0.026 174.630 174.600 0.093 0.000 1.930 30 S CA 0.717 58.947 58.200 0.051 0.000 2.028 30 S CB -1.448 61.781 63.200 0.048 0.000 0.336 30 S HN 1.015 nan 8.310 nan 0.000 1.368 31 S N -0.459 115.325 115.700 0.139 0.000 2.949 31 S HA 0.325 4.795 4.470 -0.001 0.000 0.136 31 S C 0.444 175.172 174.600 0.213 0.000 0.855 31 S CA 0.503 58.833 58.200 0.217 0.000 0.869 31 S CB -0.254 63.165 63.200 0.364 0.000 1.577 31 S HN 2.044 nan 8.310 nan 0.000 0.602 32 S N 1.605 117.380 115.700 0.126 0.000 2.428 32 S HA -0.121 4.348 4.470 -0.001 0.000 0.230 32 S C 2.132 176.766 174.600 0.057 0.000 1.014 32 S CA 1.100 59.349 58.200 0.082 0.000 0.957 32 S CB -0.656 62.578 63.200 0.056 0.000 0.784 32 S HN 1.182 nan 8.310 nan 0.000 0.499 33 S N 1.767 117.510 115.700 0.071 0.000 2.369 33 S HA -0.113 4.357 4.470 -0.001 0.000 0.225 33 S C 1.047 175.669 174.600 0.036 0.000 1.043 33 S CA 1.017 59.251 58.200 0.056 0.000 1.074 33 S CB -1.515 61.729 63.200 0.074 0.000 0.962 33 S HN 0.636 nan 8.310 nan 0.000 0.433 34 V N 5.483 125.429 119.914 0.054 0.000 2.409 34 V HA 0.180 4.300 4.120 -0.001 0.000 0.270 34 V C 0.452 176.468 176.094 -0.130 0.000 1.019 34 V CA -0.651 61.635 62.300 -0.023 0.000 1.066 34 V CB -0.503 31.323 31.823 0.005 0.000 1.021 34 V HN 0.565 nan 8.190 nan 0.000 0.476 35 K N 6.855 127.185 120.400 -0.117 0.000 2.270 35 K HA 0.346 4.665 4.320 -0.001 0.000 0.276 35 K C 0.071 176.539 176.600 -0.220 0.000 1.023 35 K CA -0.354 55.854 56.287 -0.133 0.000 0.955 35 K CB 1.432 33.885 32.500 -0.079 0.000 0.975 35 K HN 0.707 nan 8.250 nan 0.000 0.471 36 R N 0.909 121.274 120.500 -0.225 0.000 2.383 36 R HA 0.075 4.415 4.340 -0.001 0.000 0.205 36 R C 0.225 176.429 176.300 -0.160 0.000 0.875 36 R CA -0.301 55.635 56.100 -0.273 0.000 1.039 36 R CB 0.306 30.383 30.300 -0.372 0.000 1.267 36 R HN 0.563 nan 8.270 nan 0.000 0.635 37 K N 0.762 121.097 120.400 -0.108 0.000 2.485 37 K HA 0.019 4.338 4.320 -0.001 0.000 0.277 37 K C 0.671 177.239 176.600 -0.054 0.000 0.990 37 K CA 1.347 57.594 56.287 -0.066 0.000 0.994 37 K CB 0.422 32.896 32.500 -0.044 0.000 0.906 37 K HN 0.360 nan 8.250 nan 0.000 0.488 38 G N 3.003 111.781 108.800 -0.038 0.000 2.179 38 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.260 38 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.260 38 G C 0.540 175.424 174.900 -0.026 0.000 0.977 38 G CA 0.580 45.665 45.100 -0.026 0.000 0.641 38 G HN 0.701 nan 8.290 nan 0.000 0.533 39 K N 0.662 121.038 120.400 -0.041 0.000 2.404 39 K HA 0.430 4.749 4.320 -0.001 0.000 0.194 39 K C 1.588 178.179 176.600 -0.014 0.000 1.023 39 K CA 0.509 56.774 56.287 -0.037 0.000 1.094 39 K CB 0.273 32.730 32.500 -0.072 0.000 0.841 39 K HN 1.409 nan 8.250 nan 0.000 0.523 40 G N 0.955 109.751 108.800 -0.006 0.000 2.741 40 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.222 40 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.222 40 G C -0.389 174.529 174.900 0.031 0.000 1.364 40 G CA -0.708 44.402 45.100 0.017 0.000 0.866 40 G HN -0.013 nan 8.290 nan 0.000 0.555 41 V N 0.312 120.258 119.914 0.053 0.000 2.607 41 V HA 0.683 4.802 4.120 -0.001 0.000 0.289 41 V C 0.977 177.119 176.094 0.080 0.000 1.053 41 V CA 0.686 63.028 62.300 0.071 0.000 0.996 41 V CB 1.393 33.277 31.823 0.101 0.000 0.995 41 V HN 1.217 nan 8.190 nan 0.000 0.476 42 T N 4.617 119.227 114.554 0.093 0.000 2.906 42 T HA 0.707 5.056 4.350 -0.001 0.000 0.295 42 T C -0.916 173.858 174.700 0.124 0.000 1.061 42 T CA -0.440 61.745 62.100 0.140 0.000 1.000 42 T CB 1.170 70.179 68.868 0.234 0.000 1.103 42 T HN 0.411 nan 8.240 nan 0.000 0.486 43 I N 3.671 124.323 120.570 0.137 0.000 2.377 43 I HA 0.484 4.653 4.170 -0.001 0.000 0.293 43 I C -0.843 175.389 176.117 0.192 0.000 0.987 43 I CA -0.957 60.414 61.300 0.120 0.000 1.185 43 I CB 1.809 39.850 38.000 0.068 0.000 1.341 43 I HN 0.385 nan 8.210 nan 0.000 0.455 44 L N 7.440 128.767 121.223 0.174 0.000 2.276 44 L HA 0.407 4.746 4.340 -0.001 0.000 0.286 44 L C -1.312 175.662 176.870 0.174 0.000 1.024 44 L CA -0.173 54.740 54.840 0.123 0.000 0.826 44 L CB 0.816 42.871 42.059 -0.007 0.000 1.211 44 L HN 0.591 nan 8.230 nan 0.000 0.422 45 W N 7.203 128.479 121.300 -0.040 0.000 2.311 45 W HA 0.430 5.089 4.660 -0.001 0.000 0.317 45 W C -1.393 175.127 176.519 0.000 0.000 1.065 45 W CA -1.577 55.783 57.345 0.024 0.000 1.364 45 W CB 0.250 29.723 29.460 0.023 0.000 1.233 45 W HN 0.351 nan 8.180 nan 0.000 0.409 46 F N 6.338 126.413 119.950 0.209 0.000 2.399 46 F HA 0.415 4.941 4.527 -0.001 0.000 0.342 46 F C 1.282 177.077 175.800 -0.008 0.000 1.106 46 F CA 0.080 58.151 58.000 0.117 0.000 1.196 46 F CB 1.103 40.279 39.000 0.294 0.000 1.163 46 F HN 0.379 nan 8.300 nan 0.000 0.547 47 R N 0.783 121.365 120.500 0.137 0.000 2.834 47 R HA 0.241 4.581 4.340 -0.001 0.000 0.120 47 R C -0.094 176.352 176.300 0.242 0.000 1.716 47 R CA -0.567 55.587 56.100 0.090 0.000 1.406 47 R CB 0.048 30.194 30.300 -0.258 0.000 1.249 47 R HN 0.348 nan 8.270 nan 0.000 0.451 48 N N 2.213 120.964 118.700 0.085 0.000 2.635 48 N HA 0.071 4.811 4.740 -0.001 0.000 0.307 48 N C -1.290 174.256 175.510 0.061 0.000 1.433 48 N CA 0.268 53.366 53.050 0.080 0.000 0.973 48 N CB 0.849 39.293 38.487 -0.071 0.000 1.304 48 N HN 0.367 nan 8.380 nan 0.000 0.507 49 D N -0.485 120.017 120.400 0.170 0.000 2.952 49 D HA 0.056 4.695 4.640 -0.001 0.000 0.373 49 D C 0.003 176.507 176.300 0.340 0.000 1.360 49 D CA -0.275 53.819 54.000 0.156 0.000 0.788 49 D CB -0.593 40.271 40.800 0.106 0.000 1.192 49 D HN 0.082 nan 8.370 nan 0.000 0.462 50 L N 1.672 123.039 121.223 0.241 0.000 2.391 50 L HA 0.339 4.679 4.340 -0.001 0.000 0.249 50 L C 0.481 177.377 176.870 0.043 0.000 1.308 50 L CA -0.093 54.805 54.840 0.096 0.000 1.209 50 L CB -0.629 41.433 42.059 0.004 0.000 1.401 50 L HN 0.175 nan 8.230 nan 0.000 0.416 51 R N -0.823 119.749 120.500 0.120 0.000 2.716 51 R HA 0.514 4.853 4.340 -0.001 0.000 0.271 51 R C -0.586 175.765 176.300 0.086 0.000 1.028 51 R CA -0.983 55.148 56.100 0.051 0.000 0.883 51 R CB 1.448 31.766 30.300 0.029 0.000 1.250 51 R HN -0.143 nan 8.270 nan 0.000 0.465 52 V N 0.837 120.725 119.914 -0.043 0.000 2.575 52 V HA 0.121 4.240 4.120 -0.001 0.000 0.242 52 V C 1.248 177.281 176.094 -0.101 0.000 1.045 52 V CA 0.405 62.652 62.300 -0.088 0.000 1.065 52 V CB -0.247 31.414 31.823 -0.270 0.000 0.717 52 V HN 0.500 nan 8.190 nan 0.000 0.467 53 L N 1.568 122.707 121.223 -0.139 0.000 2.514 53 L HA 0.048 4.388 4.340 -0.001 0.000 0.280 53 L C 0.907 177.720 176.870 -0.095 0.000 1.223 53 L CA 0.587 55.341 54.840 -0.144 0.000 0.864 53 L CB -0.349 41.558 42.059 -0.253 0.000 1.118 53 L HN 0.402 nan 8.230 nan 0.000 0.494 54 D N 1.754 122.114 120.400 -0.068 0.000 2.686 54 D HA -0.246 4.394 4.640 -0.001 0.000 0.235 54 D C -0.319 176.004 176.300 0.038 0.000 1.160 54 D CA 0.605 54.596 54.000 -0.015 0.000 0.645 54 D CB -0.707 40.081 40.800 -0.019 0.000 1.039 54 D HN 0.526 nan 8.370 nan 0.000 0.423 55 N N 0.778 119.515 118.700 0.062 0.000 2.564 55 N HA 0.163 4.903 4.740 -0.001 0.000 0.248 55 N C 0.219 175.809 175.510 0.134 0.000 0.986 55 N CA -0.509 52.623 53.050 0.137 0.000 0.921 55 N CB 1.165 39.731 38.487 0.131 0.000 1.136 55 N HN -0.036 nan 8.380 nan 0.000 0.509 56 D N 2.255 122.758 120.400 0.172 0.000 2.224 56 D HA -0.022 4.618 4.640 -0.001 0.000 0.205 56 D C 1.547 177.854 176.300 0.012 0.000 0.965 56 D CA 0.725 54.804 54.000 0.132 0.000 0.852 56 D CB 0.260 41.169 40.800 0.181 0.000 0.947 56 D HN 0.669 nan 8.370 nan 0.000 0.494 57 A N 0.721 123.431 122.820 -0.182 0.000 1.873 57 A HA -0.125 4.194 4.320 -0.001 0.000 0.215 57 A C 2.107 179.555 177.584 -0.226 0.000 1.186 57 A CA 0.872 52.735 52.037 -0.290 0.000 0.616 57 A CB -0.659 18.002 19.000 -0.565 0.000 0.823 57 A HN 0.249 nan 8.150 nan 0.000 0.442 58 L N -1.601 119.542 121.223 -0.133 0.000 2.046 58 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 58 L C 2.268 179.119 176.870 -0.031 0.000 1.077 58 L CA 2.347 57.139 54.840 -0.080 0.000 0.747 58 L CB -1.031 41.025 42.059 -0.005 0.000 0.896 58 L HN 0.512 nan 8.230 nan 0.000 0.432 59 Y N 0.375 120.634 120.300 -0.069 0.000 2.145 59 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 59 Y C 2.468 178.371 175.900 0.006 0.000 1.145 59 Y CA 2.134 60.242 58.100 0.015 0.000 1.148 59 Y CB -0.101 38.371 38.460 0.019 0.000 0.981 59 Y HN 0.185 nan 8.280 nan 0.000 0.507 60 K N -0.207 120.138 120.400 -0.093 0.000 2.057 60 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 60 K C 2.347 178.478 176.600 -0.782 0.000 1.049 60 K CA 1.089 57.170 56.287 -0.343 0.000 0.931 60 K CB -0.400 31.925 32.500 -0.292 0.000 0.714 60 K HN 0.381 nan 8.250 nan 0.000 0.440 61 A N 0.907 123.131 122.820 -0.994 0.000 1.908 61 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 61 A C 1.955 179.375 177.584 -0.273 0.000 1.181 61 A CA 1.467 53.027 52.037 -0.794 0.000 0.627 61 A CB -0.921 17.849 19.000 -0.384 0.000 0.818 61 A HN 0.612 nan 8.150 nan 0.000 0.445 62 W N 1.834 122.913 121.300 -0.369 0.000 2.355 62 W HA -0.231 4.428 4.660 -0.001 0.000 0.309 62 W C 2.626 178.959 176.519 -0.311 0.000 1.206 62 W CA 2.714 59.885 57.345 -0.290 0.000 1.284 62 W CB -0.384 28.897 29.460 -0.298 0.000 1.145 62 W HN 0.404 nan 8.180 nan 0.000 0.502 63 S N -0.550 114.874 115.700 -0.461 0.000 2.447 63 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 63 S C 1.611 175.974 174.600 -0.394 0.000 1.006 63 S CA 1.145 58.982 58.200 -0.605 0.000 0.957 63 S CB -1.015 61.925 63.200 -0.432 0.000 0.773 63 S HN 0.295 nan 8.310 nan 0.000 0.507 64 S N 0.746 116.282 115.700 -0.272 0.000 2.572 64 S HA 0.411 4.880 4.470 -0.001 0.000 0.228 64 S C 0.449 174.997 174.600 -0.087 0.000 0.963 64 S CA -0.096 58.035 58.200 -0.115 0.000 0.939 64 S CB -0.220 63.004 63.200 0.039 0.000 0.804 64 S HN 0.694 nan 8.310 nan 0.000 0.480 65 S N 0.788 116.384 115.700 -0.174 0.000 2.651 65 S HA 0.594 5.064 4.470 -0.001 0.000 0.279 65 S C -0.538 173.957 174.600 -0.174 0.000 1.148 65 S CA -0.239 57.896 58.200 -0.109 0.000 0.837 65 S CB 1.516 64.692 63.200 -0.041 0.000 1.138 65 S HN 0.196 nan 8.310 nan 0.000 0.478 66 D N -0.901 119.442 120.400 -0.095 0.000 2.441 66 D HA 0.253 4.893 4.640 -0.001 0.000 0.210 66 D C -0.071 176.215 176.300 -0.024 0.000 1.102 66 D CA 0.087 54.034 54.000 -0.087 0.000 0.840 66 D CB 0.368 41.134 40.800 -0.057 0.000 0.990 66 D HN 0.507 nan 8.370 nan 0.000 0.505 67 T N 0.254 114.812 114.554 0.007 0.000 3.032 67 T HA 0.512 4.862 4.350 -0.001 0.000 0.312 67 T C -0.806 173.934 174.700 0.067 0.000 1.078 67 T CA -0.565 61.567 62.100 0.053 0.000 1.028 67 T CB 1.801 70.709 68.868 0.065 0.000 1.091 67 T HN 0.013 nan 8.240 nan 0.000 0.457 68 I N 2.932 123.558 120.570 0.093 0.000 2.465 68 I HA 0.484 4.653 4.170 -0.001 0.000 0.291 68 I C -1.090 175.095 176.117 0.112 0.000 1.014 68 I CA -1.078 60.284 61.300 0.104 0.000 1.093 68 I CB 2.085 40.161 38.000 0.127 0.000 1.267 68 I HN 0.340 nan 8.210 nan 0.000 0.431 69 L N 9.434 130.705 121.223 0.080 0.000 2.335 69 L HA 0.591 4.930 4.340 -0.001 0.000 0.268 69 L C -2.597 174.364 176.870 0.151 0.000 1.037 69 L CA -1.944 52.934 54.840 0.063 0.000 0.895 69 L CB 0.577 42.525 42.059 -0.185 0.000 1.266 69 L HN 0.225 nan 8.230 nan 0.000 0.439 70 P HA 0.308 nan 4.420 nan 0.000 0.276 70 P C -1.223 176.310 177.300 0.390 0.000 1.230 70 P CA -0.122 63.197 63.100 0.365 0.000 0.776 70 P CB 1.346 33.309 31.700 0.438 0.000 0.888 71 V N 4.013 124.192 119.914 0.442 0.000 2.760 71 V HA 0.392 4.511 4.120 -0.001 0.000 0.309 71 V C -1.190 175.233 176.094 0.548 0.000 1.077 71 V CA -0.665 61.869 62.300 0.391 0.000 0.910 71 V CB 1.993 33.957 31.823 0.235 0.000 1.008 71 V HN 0.416 nan 8.190 nan 0.000 0.424 72 Y N 3.420 123.920 120.300 0.334 0.000 2.350 72 Y HA 0.636 5.186 4.550 -0.001 0.000 0.338 72 Y C -0.306 175.754 175.900 0.267 0.000 0.961 72 Y CA -0.632 57.671 58.100 0.338 0.000 1.100 72 Y CB 1.574 40.167 38.460 0.222 0.000 1.179 72 Y HN 0.697 nan 8.280 nan 0.000 0.454 73 C N 7.364 126.453 119.300 -0.352 0.000 2.273 73 C HA 0.381 4.841 4.460 -0.001 0.000 0.328 73 C C -0.155 174.619 174.990 -0.361 0.000 1.275 73 C CA -1.080 57.814 59.018 -0.205 0.000 1.704 73 C CB -0.067 27.621 27.740 -0.086 0.000 2.326 73 C HN 0.781 nan 8.230 nan 0.000 0.517 74 L N 4.330 125.581 121.223 0.045 0.000 2.454 74 L HA 0.219 4.559 4.340 -0.001 0.000 0.284 74 L C 0.264 177.229 176.870 0.159 0.000 1.139 74 L CA 0.738 55.721 54.840 0.239 0.000 0.911 74 L CB -0.364 41.881 42.059 0.310 0.000 1.262 74 L HN 0.621 nan 8.230 nan 0.000 0.453 75 D N 6.988 127.473 120.400 0.141 0.000 2.343 75 D HA 0.119 4.759 4.640 -0.001 0.000 0.255 75 D C -1.564 174.808 176.300 0.120 0.000 1.187 75 D CA -1.755 52.301 54.000 0.093 0.000 0.875 75 D CB 1.668 42.507 40.800 0.065 0.000 1.136 75 D HN 0.356 nan 8.370 nan 0.000 0.469 76 P HA -0.105 nan 4.420 nan 0.000 0.220 76 P C 1.021 178.099 177.300 -0.370 0.000 1.148 76 P CA 0.702 63.797 63.100 -0.007 0.000 0.803 76 P CB 0.400 32.118 31.700 0.031 0.000 0.782 77 R N -0.713 119.593 120.500 -0.323 0.000 2.193 77 R HA -0.037 4.302 4.340 -0.001 0.000 0.229 77 R C 2.203 178.334 176.300 -0.281 0.000 1.110 77 R CA 0.454 56.308 56.100 -0.409 0.000 0.988 77 R CB -0.886 29.363 30.300 -0.085 0.000 0.871 77 R HN 0.150 nan 8.270 nan 0.000 0.458 78 L N -0.355 120.749 121.223 -0.197 0.000 2.362 78 L HA -0.023 4.316 4.340 -0.001 0.000 0.219 78 L C 0.327 176.835 176.870 -0.604 0.000 1.134 78 L CA 1.588 56.228 54.840 -0.333 0.000 0.807 78 L CB 0.181 42.047 42.059 -0.322 0.000 0.927 78 L HN 0.014 nan 8.230 nan 0.000 0.447 79 F N -2.286 117.597 119.950 -0.112 0.000 2.850 79 F HA 0.283 4.810 4.527 -0.001 0.000 0.329 79 F C 1.197 177.022 175.800 0.042 0.000 1.182 79 F CA -0.527 57.461 58.000 -0.020 0.000 1.270 79 F CB -0.234 38.774 39.000 0.014 0.000 0.979 79 F HN 0.077 nan 8.300 nan 0.000 0.506 80 H N -0.725 118.418 119.070 0.121 0.000 3.483 80 H HA 0.473 5.029 4.556 -0.001 0.000 0.110 80 H C 0.760 176.119 175.328 0.052 0.000 1.563 80 H CA 0.122 56.217 56.048 0.077 0.000 1.592 80 H CB 0.215 29.998 29.762 0.034 0.000 0.828 80 H HN 0.056 nan 8.280 nan 0.000 0.727 81 T N -0.803 113.849 114.554 0.164 0.000 2.907 81 T HA 0.315 4.665 4.350 -0.001 0.000 0.290 81 T C 0.023 174.725 174.700 0.004 0.000 1.066 81 T CA -0.832 61.314 62.100 0.076 0.000 1.012 81 T CB 1.510 70.403 68.868 0.041 0.000 1.184 81 T HN 0.615 nan 8.240 nan 0.000 0.522 82 T N -1.232 113.315 114.554 -0.011 0.000 2.813 82 T HA 0.210 4.559 4.350 -0.001 0.000 0.297 82 T C 1.060 175.671 174.700 -0.148 0.000 1.036 82 T CA 0.062 62.130 62.100 -0.053 0.000 1.044 82 T CB 0.492 69.355 68.868 -0.008 0.000 0.993 82 T HN 0.853 nan 8.240 nan 0.000 0.535 83 H N 0.518 119.418 119.070 -0.284 0.000 2.256 83 H HA 0.023 4.578 4.556 -0.001 0.000 0.299 83 H C 1.362 176.307 175.328 -0.638 0.000 1.071 83 H CA 2.117 57.857 56.048 -0.514 0.000 1.280 83 H CB -0.211 29.108 29.762 -0.739 0.000 1.370 83 H HN 0.625 nan 8.280 nan 0.000 0.490 84 F N -1.709 118.072 119.950 -0.281 0.000 2.317 84 F HA 0.112 4.638 4.527 -0.001 0.000 0.293 84 F C 1.174 176.391 175.800 -0.971 0.000 1.085 84 F CA 0.359 57.949 58.000 -0.684 0.000 1.390 84 F CB 0.150 38.585 39.000 -0.941 0.000 1.077 84 F HN 0.113 nan 8.300 nan 0.000 0.517 85 F N -0.530 119.241 119.950 -0.298 0.000 2.682 85 F HA 0.254 4.780 4.527 -0.001 0.000 0.308 85 F C 0.128 175.499 175.800 -0.716 0.000 1.093 85 F CA -0.688 56.964 58.000 -0.580 0.000 1.244 85 F CB -1.063 37.405 39.000 -0.886 0.000 1.052 85 F HN -0.126 nan 8.300 nan 0.000 0.573 86 N N 0.209 118.681 118.700 -0.380 0.000 2.740 86 N HA -0.218 4.522 4.740 -0.001 0.000 0.248 86 N C -0.794 174.729 175.510 0.022 0.000 1.062 86 N CA 0.018 52.969 53.050 -0.166 0.000 0.704 86 N CB -1.434 37.000 38.487 -0.089 0.000 0.968 86 N HN 0.051 nan 8.380 nan 0.000 0.547 87 F N -0.025 120.038 119.950 0.188 0.000 2.375 87 F HA 0.440 4.966 4.527 -0.001 0.000 0.313 87 F C -1.521 174.373 175.800 0.157 0.000 1.176 87 F CA -2.850 55.291 58.000 0.236 0.000 1.142 87 F CB -0.519 38.704 39.000 0.372 0.000 1.275 87 F HN -0.181 nan 8.300 nan 0.000 0.544 88 P HA -0.005 nan 4.420 nan 0.000 0.262 88 P C 0.431 177.807 177.300 0.127 0.000 1.182 88 P CA 0.140 63.366 63.100 0.211 0.000 0.761 88 P CB 0.576 32.387 31.700 0.185 0.000 0.795 89 K N 2.308 122.750 120.400 0.069 0.000 2.097 89 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 89 K C 0.081 176.608 176.600 -0.122 0.000 1.049 89 K CA 1.697 57.964 56.287 -0.034 0.000 0.933 89 K CB -0.221 32.246 32.500 -0.056 0.000 0.717 89 K HN 0.384 nan 8.250 nan 0.000 0.442 90 T N 0.568 115.054 114.554 -0.113 0.000 2.906 90 T HA 0.489 4.839 4.350 -0.001 0.000 0.302 90 T C -0.227 174.493 174.700 0.033 0.000 1.002 90 T CA -0.586 61.437 62.100 -0.128 0.000 0.988 90 T CB 1.500 70.129 68.868 -0.398 0.000 0.972 90 T HN 0.297 nan 8.240 nan 0.000 0.447 91 G N 1.186 109.981 108.800 -0.008 0.000 2.667 91 G HA2 0.447 4.407 3.960 -0.001 0.000 0.250 91 G HA3 0.447 4.407 3.960 -0.001 0.000 0.250 91 G C 1.219 176.168 174.900 0.081 0.000 1.212 91 G CA -0.131 44.976 45.100 0.011 0.000 0.874 91 G HN 0.830 nan 8.290 nan 0.000 0.561 92 A N 0.364 123.231 122.820 0.078 0.000 1.902 92 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 92 A C 2.411 180.050 177.584 0.093 0.000 1.181 92 A CA 1.367 53.464 52.037 0.100 0.000 0.623 92 A CB -0.391 18.655 19.000 0.077 0.000 0.818 92 A HN 0.548 nan 8.150 nan 0.000 0.443 93 L N -1.404 119.853 121.223 0.056 0.000 2.056 93 L HA -0.128 4.212 4.340 -0.001 0.000 0.207 93 L C 2.792 179.715 176.870 0.089 0.000 1.078 93 L CA 1.714 56.590 54.840 0.060 0.000 0.749 93 L CB -0.460 41.611 42.059 0.020 0.000 0.901 93 L HN 0.455 nan 8.230 nan 0.000 0.433 94 R N 0.381 120.926 120.500 0.075 0.000 2.092 94 R HA -0.102 4.237 4.340 -0.001 0.000 0.231 94 R C 2.278 178.724 176.300 0.242 0.000 1.119 94 R CA 1.267 57.457 56.100 0.151 0.000 0.970 94 R CB -0.416 29.963 30.300 0.133 0.000 0.864 94 R HN 0.336 nan 8.270 nan 0.000 0.440 95 G N -0.414 108.524 108.800 0.231 0.000 2.446 95 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 95 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 95 G C 1.433 176.446 174.900 0.188 0.000 1.168 95 G CA 0.806 46.088 45.100 0.304 0.000 0.771 95 G HN 0.511 nan 8.290 nan 0.000 0.551 96 G N 0.181 109.065 108.800 0.139 0.000 2.418 96 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 96 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 96 G C 1.629 176.559 174.900 0.049 0.000 1.158 96 G CA 0.846 45.995 45.100 0.082 0.000 0.771 96 G HN 0.349 nan 8.290 nan 0.000 0.545 97 F N 0.909 120.807 119.950 -0.088 0.000 2.095 97 F HA -0.064 4.463 4.527 -0.001 0.000 0.298 97 F C 2.356 177.916 175.800 -0.401 0.000 1.104 97 F CA 1.459 59.329 58.000 -0.217 0.000 1.232 97 F CB -0.233 38.625 39.000 -0.237 0.000 0.987 97 F HN 0.129 nan 8.300 nan 0.000 0.475 98 L N 0.164 121.248 121.223 -0.231 0.000 2.012 98 L HA -0.263 4.077 4.340 -0.001 0.000 0.210 98 L C 2.095 178.796 176.870 -0.282 0.000 1.073 98 L CA 1.933 56.554 54.840 -0.364 0.000 0.748 98 L CB -0.836 41.267 42.059 0.073 0.000 0.891 98 L HN 0.127 nan 8.230 nan 0.000 0.431 99 M N -0.610 118.904 119.600 -0.144 0.000 2.159 99 M HA -0.161 4.318 4.480 -0.001 0.000 0.263 99 M C 2.201 178.386 176.300 -0.192 0.000 1.063 99 M CA 1.453 56.675 55.300 -0.129 0.000 1.110 99 M CB -1.318 31.249 32.600 -0.056 0.000 1.374 99 M HN 0.388 nan 8.290 nan 0.000 0.411 100 E N -0.480 119.575 120.200 -0.241 0.000 2.110 100 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 100 E C 2.185 178.587 176.600 -0.330 0.000 0.988 100 E CA 1.399 57.639 56.400 -0.266 0.000 0.804 100 E CB -0.159 29.366 29.700 -0.292 0.000 0.745 100 E HN 0.473 nan 8.360 nan 0.000 0.458 101 C N 0.668 119.684 119.300 -0.473 0.000 2.425 101 C HA -0.105 4.355 4.460 -0.001 0.000 0.277 101 C C 2.558 177.357 174.990 -0.318 0.000 1.280 101 C CA 0.442 59.206 59.018 -0.422 0.000 1.744 101 C CB -0.877 26.541 27.740 -0.538 0.000 1.989 101 C HN 0.394 nan 8.230 nan 0.000 0.491 102 L N 0.146 121.173 121.223 -0.326 0.000 2.056 102 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 102 L C 2.617 179.355 176.870 -0.220 0.000 1.078 102 L CA 1.101 55.757 54.840 -0.308 0.000 0.749 102 L CB -0.722 41.148 42.059 -0.315 0.000 0.901 102 L HN 0.178 nan 8.230 nan 0.000 0.433 103 V N 0.124 119.929 119.914 -0.180 0.000 2.343 103 V HA -0.331 3.789 4.120 -0.001 0.000 0.247 103 V C 2.173 178.184 176.094 -0.138 0.000 1.051 103 V CA 2.232 64.451 62.300 -0.135 0.000 1.036 103 V CB -0.481 31.276 31.823 -0.110 0.000 0.654 103 V HN 0.490 nan 8.190 nan 0.000 0.451 104 D N -0.376 119.933 120.400 -0.152 0.000 2.117 104 D HA -0.165 4.474 4.640 -0.001 0.000 0.198 104 D C 1.950 178.167 176.300 -0.139 0.000 0.982 104 D CA 1.078 55.003 54.000 -0.125 0.000 0.828 104 D CB -0.115 40.616 40.800 -0.114 0.000 0.967 104 D HN 0.273 nan 8.370 nan 0.000 0.464 105 L N 0.889 121.997 121.223 -0.192 0.000 2.017 105 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 105 L C 2.345 179.075 176.870 -0.234 0.000 1.073 105 L CA 1.786 56.479 54.840 -0.245 0.000 0.745 105 L CB -0.723 41.110 42.059 -0.377 0.000 0.894 105 L HN -0.023 nan 8.230 nan 0.000 0.432 106 R N -0.197 120.178 120.500 -0.210 0.000 2.083 106 R HA -0.256 4.083 4.340 -0.001 0.000 0.237 106 R C 2.469 178.665 176.300 -0.173 0.000 1.137 106 R CA 2.122 58.111 56.100 -0.184 0.000 0.951 106 R CB -0.375 29.837 30.300 -0.147 0.000 0.851 106 R HN 0.448 nan 8.270 nan 0.000 0.434 107 K N 0.091 120.405 120.400 -0.142 0.000 2.009 107 K HA -0.176 4.143 4.320 -0.001 0.000 0.210 107 K C 1.733 178.262 176.600 -0.119 0.000 1.049 107 K CA 2.007 58.224 56.287 -0.116 0.000 0.929 107 K CB -0.135 32.313 32.500 -0.086 0.000 0.714 107 K HN 0.247 nan 8.250 nan 0.000 0.440 108 N N 0.796 119.422 118.700 -0.123 0.000 2.244 108 N HA -0.111 4.628 4.740 -0.001 0.000 0.183 108 N C 1.890 177.280 175.510 -0.200 0.000 1.016 108 N CA 0.915 53.873 53.050 -0.154 0.000 0.866 108 N CB -0.117 38.275 38.487 -0.160 0.000 0.980 108 N HN 0.233 nan 8.380 nan 0.000 0.430 109 L N 0.431 121.545 121.223 -0.181 0.000 2.056 109 L HA -0.019 4.320 4.340 -0.001 0.000 0.207 109 L C 2.377 179.147 176.870 -0.166 0.000 1.078 109 L CA 0.809 55.554 54.840 -0.160 0.000 0.749 109 L CB -0.269 41.708 42.059 -0.137 0.000 0.901 109 L HN 0.120 nan 8.230 nan 0.000 0.433 110 M N -0.492 118.998 119.600 -0.183 0.000 2.159 110 M HA -0.230 4.250 4.480 -0.001 0.000 0.263 110 M C 2.063 178.281 176.300 -0.137 0.000 1.063 110 M CA 1.727 56.917 55.300 -0.183 0.000 1.110 110 M CB -0.294 32.192 32.600 -0.190 0.000 1.374 110 M HN 0.119 nan 8.290 nan 0.000 0.411 111 K N -0.262 120.062 120.400 -0.126 0.000 2.442 111 K HA -0.044 4.275 4.320 -0.001 0.000 0.198 111 K C 1.378 177.910 176.600 -0.114 0.000 1.042 111 K CA 0.592 56.817 56.287 -0.103 0.000 0.958 111 K CB 0.070 32.520 32.500 -0.085 0.000 0.766 111 K HN 0.297 nan 8.250 nan 0.000 0.474 112 R N -0.321 120.097 120.500 -0.138 0.000 2.427 112 R HA 0.103 4.443 4.340 -0.001 0.000 0.262 112 R C 0.702 176.947 176.300 -0.092 0.000 0.943 112 R CA 0.600 56.620 56.100 -0.134 0.000 1.081 112 R CB 0.870 31.064 30.300 -0.175 0.000 1.166 112 R HN 0.339 nan 8.270 nan 0.000 0.534 113 G N 1.259 110.009 108.800 -0.083 0.000 2.143 113 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.249 113 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.249 113 G C 0.179 175.046 174.900 -0.056 0.000 0.981 113 G CA 0.114 45.181 45.100 -0.055 0.000 0.665 113 G HN 0.195 nan 8.290 nan 0.000 0.528 114 L N -1.304 119.864 121.223 -0.092 0.000 2.693 114 L HA 0.765 5.104 4.340 -0.001 0.000 0.253 114 L C 0.575 177.285 176.870 -0.266 0.000 1.155 114 L CA -1.191 53.588 54.840 -0.101 0.000 1.026 114 L CB 1.313 43.350 42.059 -0.036 0.000 1.817 114 L HN 0.181 nan 8.230 nan 0.000 0.556 115 N N -0.630 117.855 118.700 -0.359 0.000 3.106 115 N HA 0.418 5.157 4.740 -0.001 0.000 0.253 115 N C -2.128 173.189 175.510 -0.321 0.000 1.506 115 N CA -0.452 52.209 53.050 -0.649 0.000 0.876 115 N CB 1.945 39.411 38.487 -1.700 0.000 1.452 115 N HN 0.285 nan 8.380 nan 0.000 0.542 116 L N 1.917 123.013 121.223 -0.211 0.000 2.343 116 L HA 0.577 4.917 4.340 -0.001 0.000 0.278 116 L C -1.263 175.835 176.870 0.380 0.000 0.996 116 L CA -0.636 54.268 54.840 0.105 0.000 0.831 116 L CB 1.042 43.089 42.059 -0.020 0.000 1.232 116 L HN 0.526 nan 8.230 nan 0.000 0.413 117 L N 6.445 127.992 121.223 0.539 0.000 2.313 117 L HA 0.501 4.840 4.340 -0.001 0.000 0.282 117 L C -0.728 176.318 176.870 0.293 0.000 1.092 117 L CA 0.513 55.618 54.840 0.440 0.000 0.831 117 L CB 0.285 42.466 42.059 0.204 0.000 1.159 117 L HN 0.539 nan 8.230 nan 0.000 0.442 118 I N 5.982 126.702 120.570 0.251 0.000 2.378 118 I HA 0.524 4.694 4.170 -0.001 0.000 0.291 118 I C -0.229 175.990 176.117 0.171 0.000 0.992 118 I CA -0.732 60.708 61.300 0.234 0.000 1.154 118 I CB 1.037 39.160 38.000 0.205 0.000 1.315 118 I HN 0.506 nan 8.210 nan 0.000 0.448 119 R N 3.558 124.154 120.500 0.160 0.000 2.725 119 R HA 0.509 4.849 4.340 -0.001 0.000 0.277 119 R C -1.195 175.166 176.300 0.100 0.000 0.987 119 R CA -0.911 55.250 56.100 0.102 0.000 0.901 119 R CB 2.381 32.719 30.300 0.064 0.000 1.207 119 R HN 0.455 nan 8.270 nan 0.000 0.463 120 S N 0.461 116.207 115.700 0.077 0.000 2.438 120 S HA 0.802 5.271 4.470 -0.001 0.000 0.293 120 S C 0.051 174.680 174.600 0.048 0.000 1.141 120 S CA -0.163 58.080 58.200 0.071 0.000 1.080 120 S CB 1.500 64.734 63.200 0.057 0.000 0.978 120 S HN 0.847 nan 8.310 nan 0.000 0.479 121 G N 2.687 111.514 108.800 0.045 0.000 2.356 121 G HA2 0.162 4.122 3.960 -0.001 0.000 0.300 121 G HA3 0.162 4.122 3.960 -0.001 0.000 0.300 121 G C -1.959 172.949 174.900 0.012 0.000 1.331 121 G CA -1.103 44.013 45.100 0.027 0.000 0.905 121 G HN 0.514 nan 8.290 nan 0.000 0.587 122 K N 1.220 121.621 120.400 0.001 0.000 2.322 122 K HA 0.306 4.625 4.320 -0.001 0.000 0.283 122 K C -1.650 174.910 176.600 -0.066 0.000 1.042 122 K CA -1.435 54.844 56.287 -0.013 0.000 0.958 122 K CB 1.924 34.422 32.500 -0.005 0.000 0.984 122 K HN 0.073 nan 8.250 nan 0.000 0.473 123 P HA -0.266 nan 4.420 nan 0.000 0.216 123 P C 0.951 178.068 177.300 -0.305 0.000 1.150 123 P CA 1.283 64.215 63.100 -0.280 0.000 0.843 123 P CB 0.162 31.640 31.700 -0.370 0.000 0.787 124 E N 0.361 120.444 120.200 -0.195 0.000 2.338 124 E HA -0.185 4.164 4.350 -0.001 0.000 0.197 124 E C 1.278 177.810 176.600 -0.113 0.000 1.007 124 E CA 1.212 57.519 56.400 -0.155 0.000 0.849 124 E CB -0.602 29.047 29.700 -0.086 0.000 0.774 124 E HN 0.403 nan 8.360 nan 0.000 0.506 125 E N 0.402 120.546 120.200 -0.094 0.000 2.201 125 E HA 0.131 4.481 4.350 -0.001 0.000 0.193 125 E C 2.290 178.846 176.600 -0.074 0.000 0.957 125 E CA 0.198 56.558 56.400 -0.066 0.000 0.858 125 E CB 0.100 29.776 29.700 -0.039 0.000 0.816 125 E HN 0.208 nan 8.360 nan 0.000 0.475 126 I N 1.292 121.805 120.570 -0.094 0.000 2.193 126 I HA -0.239 3.930 4.170 -0.001 0.000 0.240 126 I C 2.324 178.379 176.117 -0.104 0.000 1.084 126 I CA 1.035 62.285 61.300 -0.084 0.000 1.365 126 I CB -0.119 37.831 38.000 -0.083 0.000 1.064 126 I HN 0.059 nan 8.210 nan 0.000 0.410 127 L N 0.402 121.513 121.223 -0.187 0.000 2.027 127 L HA -0.116 4.224 4.340 -0.001 0.000 0.206 127 L C -0.295 176.505 176.870 -0.116 0.000 1.074 127 L CA 1.476 56.197 54.840 -0.200 0.000 0.745 127 L CB -1.930 39.901 42.059 -0.379 0.000 0.898 127 L HN 0.178 nan 8.230 nan 0.000 0.433 128 P HA -0.167 nan 4.420 nan 0.000 0.216 128 P C 1.897 179.177 177.300 -0.034 0.000 1.150 128 P CA 1.478 64.538 63.100 -0.067 0.000 0.837 128 P CB 0.065 31.724 31.700 -0.067 0.000 0.786 129 S N -0.995 114.686 115.700 -0.031 0.000 2.356 129 S HA -0.115 4.354 4.470 -0.001 0.000 0.223 129 S C 1.838 176.458 174.600 0.032 0.000 1.032 129 S CA 1.033 59.227 58.200 -0.009 0.000 1.005 129 S CB -1.040 62.152 63.200 -0.013 0.000 0.867 129 S HN -0.023 nan 8.310 nan 0.000 0.449 130 L N 1.084 122.342 121.223 0.058 0.000 2.046 130 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 130 L C 3.024 180.014 176.870 0.200 0.000 1.077 130 L CA 1.181 56.126 54.840 0.177 0.000 0.747 130 L CB -0.794 41.321 42.059 0.093 0.000 0.896 130 L HN 0.435 nan 8.230 nan 0.000 0.432 131 A N 0.306 123.174 122.820 0.080 0.000 1.883 131 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 131 A C 2.401 180.026 177.584 0.069 0.000 1.186 131 A CA 2.272 54.348 52.037 0.066 0.000 0.624 131 A CB -0.502 18.502 19.000 0.007 0.000 0.822 131 A HN 0.371 nan 8.150 nan 0.000 0.444 132 K N -0.662 119.759 120.400 0.034 0.000 2.001 132 K HA -0.201 4.118 4.320 -0.001 0.000 0.208 132 K C 1.453 178.044 176.600 -0.014 0.000 1.048 132 K CA 1.771 58.061 56.287 0.005 0.000 0.932 132 K CB -0.289 32.202 32.500 -0.014 0.000 0.715 132 K HN 0.327 nan 8.250 nan 0.000 0.437 133 D N -0.160 120.221 120.400 -0.032 0.000 2.144 133 D HA -0.143 4.496 4.640 -0.001 0.000 0.199 133 D C 1.288 177.407 176.300 -0.302 0.000 0.984 133 D CA 1.225 55.116 54.000 -0.181 0.000 0.834 133 D CB -0.071 40.582 40.800 -0.244 0.000 0.955 133 D HN 0.258 nan 8.370 nan 0.000 0.465 134 F N -0.700 119.233 119.950 -0.029 0.000 2.695 134 F HA 0.296 4.823 4.527 -0.001 0.000 0.303 134 F C 1.607 177.401 175.800 -0.010 0.000 1.091 134 F CA 0.120 58.107 58.000 -0.020 0.000 1.300 134 F CB 0.477 39.466 39.000 -0.018 0.000 1.071 134 F HN -0.046 nan 8.300 nan 0.000 0.578 135 G N 1.472 110.339 108.800 0.111 0.000 2.295 135 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.287 135 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.287 135 G C 0.249 175.197 174.900 0.079 0.000 1.055 135 G CA -0.010 45.131 45.100 0.067 0.000 0.922 135 G HN 0.630 nan 8.290 nan 0.000 0.503 136 A N -0.451 122.424 122.820 0.092 0.000 2.450 136 A HA 0.649 4.968 4.320 -0.001 0.000 0.255 136 A C 1.412 179.019 177.584 0.039 0.000 1.096 136 A CA 0.470 52.550 52.037 0.072 0.000 0.778 136 A CB 0.289 19.331 19.000 0.070 0.000 1.031 136 A HN 0.567 nan 8.150 nan 0.000 0.494 137 R N 0.604 121.126 120.500 0.036 0.000 2.153 137 R HA 0.028 4.367 4.340 -0.001 0.000 0.218 137 R C 0.188 176.478 176.300 -0.017 0.000 1.072 137 R CA 1.469 57.578 56.100 0.014 0.000 0.990 137 R CB -0.126 30.189 30.300 0.025 0.000 0.889 137 R HN 0.868 nan 8.270 nan 0.000 0.452 138 T N -3.037 111.506 114.554 -0.019 0.000 2.894 138 T HA 0.481 4.830 4.350 -0.001 0.000 0.309 138 T C -0.745 173.901 174.700 -0.090 0.000 1.208 138 T CA -0.876 61.148 62.100 -0.125 0.000 1.016 138 T CB 2.421 71.142 68.868 -0.245 0.000 1.192 138 T HN -0.224 nan 8.240 nan 0.000 0.491 139 V N 2.607 122.425 119.914 -0.160 0.000 2.378 139 V HA 0.555 4.674 4.120 -0.001 0.000 0.288 139 V C -0.985 175.035 176.094 -0.124 0.000 1.016 139 V CA -0.740 61.536 62.300 -0.041 0.000 0.840 139 V CB 0.715 32.538 31.823 -0.000 0.000 0.994 139 V HN 0.863 nan 8.190 nan 0.000 0.431 140 F N 3.109 123.100 119.950 0.069 0.000 2.399 140 F HA 0.837 5.364 4.527 -0.001 0.000 0.334 140 F C 0.547 176.357 175.800 0.017 0.000 1.097 140 F CA -0.070 57.945 58.000 0.024 0.000 1.076 140 F CB 1.874 40.855 39.000 -0.032 0.000 1.162 140 F HN 0.617 nan 8.300 nan 0.000 0.495 141 A N 1.635 124.531 122.820 0.127 0.000 2.601 141 A HA 0.564 4.884 4.320 -0.001 0.000 0.291 141 A C -1.742 175.744 177.584 -0.163 0.000 1.075 141 A CA -0.807 51.188 52.037 -0.071 0.000 0.671 141 A CB 0.624 19.583 19.000 -0.067 0.000 1.277 141 A HN 0.794 nan 8.150 nan 0.000 0.417 142 H N 0.615 119.588 119.070 -0.163 0.000 2.652 142 H HA 0.421 4.977 4.556 -0.001 0.000 0.349 142 H C 0.222 175.457 175.328 -0.155 0.000 1.099 142 H CA 0.442 56.403 56.048 -0.146 0.000 1.417 142 H CB 0.938 30.582 29.762 -0.197 0.000 1.457 142 H HN 0.598 nan 8.280 nan 0.000 0.568 143 K N 2.775 123.202 120.400 0.045 0.000 2.368 143 K HA 0.043 4.362 4.320 -0.001 0.000 0.282 143 K C -0.344 176.223 176.600 -0.056 0.000 1.035 143 K CA -0.052 56.264 56.287 0.049 0.000 0.973 143 K CB 0.495 33.122 32.500 0.211 0.000 0.957 143 K HN 0.529 nan 8.250 nan 0.000 0.474 144 E N 1.193 121.381 120.200 -0.019 0.000 2.285 144 E HA 0.229 4.578 4.350 -0.001 0.000 0.254 144 E C 0.299 176.937 176.600 0.064 0.000 1.011 144 E CA -0.161 56.215 56.400 -0.039 0.000 0.873 144 E CB 1.628 31.299 29.700 -0.049 0.000 1.229 144 E HN 0.825 nan 8.360 nan 0.000 0.422 145 T N -3.864 110.728 114.554 0.064 0.000 2.964 145 T HA 0.185 4.535 4.350 -0.001 0.000 0.249 145 T C 0.996 175.766 174.700 0.117 0.000 1.000 145 T CA -0.130 62.050 62.100 0.132 0.000 0.992 145 T CB -0.195 68.764 68.868 0.153 0.000 1.087 145 T HN 0.317 nan 8.240 nan 0.000 0.489 146 C N 2.327 121.687 119.300 0.102 0.000 2.382 146 C HA 0.716 5.175 4.460 -0.001 0.000 0.363 146 C C 2.452 177.511 174.990 0.115 0.000 1.213 146 C CA 0.055 59.161 59.018 0.145 0.000 2.363 146 C CB 1.154 29.018 27.740 0.207 0.000 2.397 146 C HN 0.626 nan 8.230 nan 0.000 0.573 147 S N 0.827 116.606 115.700 0.132 0.000 2.378 147 S HA -0.238 4.231 4.470 -0.001 0.000 0.229 147 S C 1.571 176.193 174.600 0.038 0.000 1.052 147 S CA 2.540 60.786 58.200 0.075 0.000 1.084 147 S CB -0.370 62.862 63.200 0.053 0.000 0.950 147 S HN 0.840 nan 8.310 nan 0.000 0.440 148 E N -0.022 120.178 120.200 -0.001 0.000 2.077 148 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 148 E C 2.271 178.893 176.600 0.037 0.000 0.989 148 E CA 1.515 57.915 56.400 -0.000 0.000 0.800 148 E CB -0.159 29.520 29.700 -0.035 0.000 0.746 148 E HN 0.571 nan 8.360 nan 0.000 0.452 149 E N 0.042 120.267 120.200 0.042 0.000 2.072 149 E HA -0.142 4.208 4.350 -0.001 0.000 0.190 149 E C 2.255 178.904 176.600 0.081 0.000 0.982 149 E CA 1.176 57.608 56.400 0.054 0.000 0.803 149 E CB -0.200 29.513 29.700 0.022 0.000 0.755 149 E HN 0.283 nan 8.360 nan 0.000 0.453 150 V N -0.646 119.316 119.914 0.080 0.000 2.626 150 V HA -0.180 3.939 4.120 -0.001 0.000 0.252 150 V C 1.831 177.981 176.094 0.094 0.000 1.067 150 V CA 2.043 64.399 62.300 0.094 0.000 1.081 150 V CB -0.469 31.412 31.823 0.097 0.000 0.686 150 V HN 0.030 nan 8.190 nan 0.000 0.468 151 D N 0.732 121.179 120.400 0.079 0.000 2.144 151 D HA -0.127 4.513 4.640 -0.001 0.000 0.199 151 D C 2.005 178.355 176.300 0.083 0.000 0.984 151 D CA 1.626 55.668 54.000 0.070 0.000 0.834 151 D CB -0.128 40.702 40.800 0.051 0.000 0.955 151 D HN 0.345 nan 8.370 nan 0.000 0.465 152 V N 0.537 120.517 119.914 0.110 0.000 2.358 152 V HA -0.198 3.921 4.120 -0.001 0.000 0.246 152 V C 2.231 178.441 176.094 0.195 0.000 1.047 152 V CA 1.734 64.124 62.300 0.149 0.000 1.035 152 V CB -0.516 31.433 31.823 0.210 0.000 0.658 152 V HN 0.250 nan 8.190 nan 0.000 0.452 153 E N 0.049 120.386 120.200 0.229 0.000 2.058 153 E HA -0.291 4.059 4.350 -0.001 0.000 0.194 153 E C 2.423 179.103 176.600 0.132 0.000 0.997 153 E CA 1.640 58.180 56.400 0.234 0.000 0.801 153 E CB -0.279 29.533 29.700 0.188 0.000 0.746 153 E HN 0.469 nan 8.360 nan 0.000 0.450 154 R N 0.941 121.499 120.500 0.097 0.000 2.080 154 R HA -0.185 4.154 4.340 -0.001 0.000 0.236 154 R C 2.354 178.677 176.300 0.039 0.000 1.137 154 R CA 1.392 57.529 56.100 0.062 0.000 0.943 154 R CB -0.307 30.027 30.300 0.056 0.000 0.846 154 R HN 0.156 nan 8.270 nan 0.000 0.431 155 L N 0.189 121.433 121.223 0.035 0.000 2.083 155 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 155 L C 2.492 179.345 176.870 -0.027 0.000 1.083 155 L CA 0.834 55.677 54.840 0.006 0.000 0.752 155 L CB -0.290 41.774 42.059 0.008 0.000 0.899 155 L HN 0.084 nan 8.230 nan 0.000 0.433 156 V N -0.022 119.866 119.914 -0.043 0.000 2.295 156 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 156 V C 2.280 178.332 176.094 -0.070 0.000 1.049 156 V CA 2.050 64.278 62.300 -0.120 0.000 1.024 156 V CB -0.666 31.012 31.823 -0.241 0.000 0.648 156 V HN 0.474 nan 8.190 nan 0.000 0.447 157 N N 0.200 118.890 118.700 -0.016 0.000 2.069 157 N HA -0.218 4.522 4.740 -0.001 0.000 0.191 157 N C 1.946 177.446 175.510 -0.016 0.000 1.031 157 N CA 1.849 54.895 53.050 -0.007 0.000 0.852 157 N CB -0.224 38.275 38.487 0.021 0.000 1.018 157 N HN 0.570 nan 8.380 nan 0.000 0.423 158 Q N -1.114 118.679 119.800 -0.011 0.000 2.167 158 Q HA 0.011 4.350 4.340 -0.001 0.000 0.202 158 Q C 2.051 178.038 176.000 -0.023 0.000 0.970 158 Q CA 1.230 57.026 55.803 -0.012 0.000 0.855 158 Q CB -0.260 28.476 28.738 -0.004 0.000 0.911 158 Q HN 0.477 nan 8.270 nan 0.000 0.438 159 G N 0.899 109.678 108.800 -0.036 0.000 2.408 159 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 159 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 159 G C 1.392 176.264 174.900 -0.046 0.000 1.150 159 G CA 0.416 45.489 45.100 -0.045 0.000 0.776 159 G HN 0.163 nan 8.290 nan 0.000 0.542 160 L N 0.690 121.882 121.223 -0.051 0.000 2.056 160 L HA -0.002 4.337 4.340 -0.001 0.000 0.207 160 L C 3.510 180.361 176.870 -0.031 0.000 1.078 160 L CA 1.629 56.442 54.840 -0.046 0.000 0.749 160 L CB -0.508 41.520 42.059 -0.051 0.000 0.901 160 L HN 0.360 nan 8.230 nan 0.000 0.433 161 K N 0.567 120.952 120.400 -0.026 0.000 2.097 161 K HA -0.211 4.109 4.320 -0.001 0.000 0.206 161 K C 2.149 178.739 176.600 -0.017 0.000 1.049 161 K CA 1.785 58.061 56.287 -0.018 0.000 0.933 161 K CB -0.814 31.678 32.500 -0.013 0.000 0.717 161 K HN 0.257 nan 8.250 nan 0.000 0.442 162 R N 0.366 120.855 120.500 -0.020 0.000 2.115 162 R HA -0.077 4.262 4.340 -0.001 0.000 0.230 162 R C 2.424 178.713 176.300 -0.019 0.000 1.111 162 R CA 1.493 57.582 56.100 -0.018 0.000 0.976 162 R CB -0.466 29.822 30.300 -0.019 0.000 0.870 162 R HN 0.437 nan 8.270 nan 0.000 0.445 163 V N -2.986 116.914 119.914 -0.022 0.000 2.548 163 V HA 0.274 4.393 4.120 -0.001 0.000 0.249 163 V C 0.881 176.965 176.094 -0.017 0.000 1.055 163 V CA 1.344 63.632 62.300 -0.021 0.000 1.065 163 V CB -0.337 31.473 31.823 -0.023 0.000 0.681 163 V HN 0.407 nan 8.190 nan 0.000 0.462 164 G N -0.899 107.891 108.800 -0.017 0.000 2.324 164 G HA2 0.214 4.173 3.960 -0.001 0.000 0.293 164 G HA3 0.214 4.173 3.960 -0.001 0.000 0.293 164 G C -1.146 173.745 174.900 -0.014 0.000 1.297 164 G CA -0.277 44.815 45.100 -0.014 0.000 0.853 164 G HN 0.283 nan 8.290 nan 0.000 0.535 165 N N -0.269 118.424 118.700 -0.012 0.000 2.327 165 N HA 0.484 5.223 4.740 -0.001 0.000 0.285 165 N C 1.821 177.323 175.510 -0.013 0.000 1.299 165 N CA 1.329 54.372 53.050 -0.012 0.000 0.944 165 N CB 0.163 38.644 38.487 -0.009 0.000 1.067 165 N HN 1.803 nan 8.380 nan 0.000 0.514 166 S N -1.944 113.748 115.700 -0.013 0.000 3.467 166 S HA -0.247 4.222 4.470 -0.001 0.000 0.248 166 S C 0.318 174.906 174.600 -0.020 0.000 1.578 166 S CA 1.463 59.655 58.200 -0.013 0.000 3.513 166 S CB -2.198 60.997 63.200 -0.008 0.000 0.732 166 S HN 0.537 nan 8.310 nan 0.000 0.470 167 T N 4.868 119.410 114.554 -0.021 0.000 2.765 167 T HA 0.530 4.880 4.350 -0.001 0.000 0.284 167 T C 0.097 174.769 174.700 -0.046 0.000 0.946 167 T CA 0.935 63.016 62.100 -0.031 0.000 1.185 167 T CB 0.557 69.410 68.868 -0.026 0.000 0.887 167 T HN 1.011 nan 8.240 nan 0.000 0.532 168 K N 3.102 123.461 120.400 -0.070 0.000 2.207 168 K HA 0.662 4.981 4.320 -0.001 0.000 0.255 168 K C -0.688 175.837 176.600 -0.126 0.000 0.941 168 K CA -0.941 55.295 56.287 -0.085 0.000 0.825 168 K CB 1.216 33.663 32.500 -0.088 0.000 1.119 168 K HN 0.536 nan 8.250 nan 0.000 0.430 169 L N 2.174 123.344 121.223 -0.088 0.000 2.281 169 L HA 0.362 4.702 4.340 -0.001 0.000 0.285 169 L C -0.452 176.352 176.870 -0.111 0.000 1.074 169 L CA -0.084 54.711 54.840 -0.076 0.000 0.817 169 L CB 1.092 43.155 42.059 0.007 0.000 1.168 169 L HN 0.705 nan 8.230 nan 0.000 0.434 170 E N 6.918 126.984 120.200 -0.223 0.000 2.102 170 E HA 0.316 4.665 4.350 -0.001 0.000 0.263 170 E C -1.068 175.515 176.600 -0.028 0.000 0.894 170 E CA -0.313 55.963 56.400 -0.208 0.000 0.746 170 E CB 1.576 30.926 29.700 -0.583 0.000 1.129 170 E HN 0.591 nan 8.360 nan 0.000 0.416 171 L N 4.142 125.397 121.223 0.054 0.000 2.282 171 L HA 0.423 4.762 4.340 -0.001 0.000 0.288 171 L C -0.114 176.840 176.870 0.141 0.000 1.033 171 L CA -0.727 54.170 54.840 0.095 0.000 0.807 171 L CB 0.821 42.946 42.059 0.110 0.000 1.209 171 L HN 0.269 nan 8.230 nan 0.000 0.423 172 I N 2.373 123.014 120.570 0.119 0.000 2.404 172 I HA 0.185 4.355 4.170 -0.001 0.000 0.293 172 I C -0.114 176.154 176.117 0.250 0.000 0.992 172 I CA -0.613 60.790 61.300 0.172 0.000 1.149 172 I CB 1.762 39.796 38.000 0.056 0.000 1.315 172 I HN 0.713 nan 8.210 nan 0.000 0.446 173 W N 6.509 127.908 121.300 0.165 0.000 2.251 173 W HA 0.441 5.101 4.660 -0.001 0.000 0.327 173 W C -0.194 176.421 176.519 0.159 0.000 1.361 173 W CA 0.427 57.834 57.345 0.105 0.000 1.234 173 W CB 1.277 30.708 29.460 -0.047 0.000 1.212 173 W HN 0.670 nan 8.180 nan 0.000 0.557 174 G N 1.564 109.954 108.800 -0.683 0.000 2.846 174 G HA2 0.427 4.386 3.960 -0.001 0.000 0.299 174 G HA3 0.427 4.386 3.960 -0.001 0.000 0.299 174 G C 0.187 174.610 174.900 -0.796 0.000 1.242 174 G CA 0.545 45.348 45.100 -0.494 0.000 0.800 174 G HN 1.040 nan 8.290 nan 0.000 0.538 175 S N -2.577 112.821 115.700 -0.503 0.000 1.537 175 S HA -0.285 4.185 4.470 -0.001 0.000 0.241 175 S C 0.922 175.399 174.600 -0.205 0.000 0.763 175 S CA 2.512 60.480 58.200 -0.388 0.000 1.304 175 S CB -2.642 60.265 63.200 -0.489 0.000 1.584 175 S HN 2.494 nan 8.310 nan 0.000 0.514 176 T N -0.221 114.249 114.554 -0.141 0.000 2.918 176 T HA 0.746 5.095 4.350 -0.001 0.000 0.283 176 T C 1.052 175.825 174.700 0.123 0.000 1.001 176 T CA -0.099 62.027 62.100 0.044 0.000 1.041 176 T CB 1.504 70.476 68.868 0.174 0.000 1.028 176 T HN 0.458 nan 8.240 nan 0.000 0.511 177 M N 0.450 120.125 119.600 0.124 0.000 2.123 177 M HA 0.156 4.635 4.480 -0.001 0.000 0.263 177 M C -0.468 175.796 176.300 -0.061 0.000 1.069 177 M CA 1.056 56.358 55.300 0.004 0.000 1.133 177 M CB 0.049 32.602 32.600 -0.078 0.000 1.356 177 M HN 0.696 nan 8.290 nan 0.000 0.415 178 Y N 0.487 120.923 120.300 0.226 0.000 2.313 178 Y HA 0.181 4.731 4.550 -0.001 0.000 0.332 178 Y C 0.199 176.361 175.900 0.436 0.000 1.071 178 Y CA -0.709 57.545 58.100 0.257 0.000 1.169 178 Y CB 0.279 38.857 38.460 0.197 0.000 1.192 178 Y HN 0.055 nan 8.280 nan 0.000 0.487 179 H N 4.100 123.408 119.070 0.396 0.000 2.683 179 H HA 0.042 4.598 4.556 -0.001 0.000 0.339 179 H C 1.033 176.478 175.328 0.194 0.000 1.081 179 H CA 0.270 56.546 56.048 0.381 0.000 1.432 179 H CB 1.214 31.127 29.762 0.251 0.000 1.462 179 H HN 0.838 nan 8.280 nan 0.000 0.557 180 K N 2.933 123.255 120.400 -0.131 0.000 2.059 180 K HA -0.193 4.127 4.320 -0.001 0.000 0.212 180 K C 0.818 177.324 176.600 -0.156 0.000 1.050 180 K CA 2.146 58.201 56.287 -0.386 0.000 0.927 180 K CB 0.165 31.971 32.500 -1.156 0.000 0.714 180 K HN 0.592 nan 8.250 nan 0.000 0.447 181 D N 0.588 121.079 120.400 0.150 0.000 2.310 181 D HA -0.104 4.535 4.640 -0.001 0.000 0.212 181 D C 0.796 177.098 176.300 0.004 0.000 0.965 181 D CA 0.905 54.951 54.000 0.076 0.000 0.879 181 D CB -0.039 40.822 40.800 0.100 0.000 0.921 181 D HN 0.293 nan 8.370 nan 0.000 0.510 182 D N -0.361 120.063 120.400 0.041 0.000 2.360 182 D HA 0.081 4.721 4.640 -0.001 0.000 0.210 182 D C 0.853 177.078 176.300 -0.125 0.000 1.047 182 D CA -0.095 53.894 54.000 -0.018 0.000 0.854 182 D CB 0.523 41.361 40.800 0.063 0.000 0.936 182 D HN 0.204 nan 8.370 nan 0.000 0.514 183 L N 1.964 123.064 121.223 -0.205 0.000 2.483 183 L HA 0.090 4.429 4.340 -0.001 0.000 0.275 183 L C -1.111 175.444 176.870 -0.525 0.000 1.220 183 L CA -0.966 53.617 54.840 -0.429 0.000 0.833 183 L CB 0.263 42.047 42.059 -0.459 0.000 1.102 183 L HN -0.130 nan 8.230 nan 0.000 0.490 184 P HA 0.080 nan 4.420 nan 0.000 0.255 184 P C -0.927 176.003 177.300 -0.616 0.000 1.301 184 P CA 0.391 63.072 63.100 -0.698 0.000 0.817 184 P CB -0.110 31.177 31.700 -0.688 0.000 1.259 185 F N -2.601 117.280 119.950 -0.115 0.000 2.678 185 F HA 0.516 5.043 4.527 -0.001 0.000 0.308 185 F C -0.585 175.151 175.800 -0.107 0.000 1.118 185 F CA -2.525 55.424 58.000 -0.086 0.000 0.959 185 F CB -0.014 38.952 39.000 -0.057 0.000 1.305 185 F HN -0.365 nan 8.300 nan 0.000 0.443 186 D N 0.485 120.982 120.400 0.163 0.000 2.362 186 D HA 0.337 4.976 4.640 -0.001 0.000 0.242 186 D C 1.264 177.636 176.300 0.119 0.000 1.132 186 D CA -0.105 53.933 54.000 0.064 0.000 0.907 186 D CB 1.797 42.591 40.800 -0.009 0.000 1.195 186 D HN 0.613 nan 8.370 nan 0.000 0.429 187 V N 1.246 121.200 119.914 0.067 0.000 2.720 187 V HA -0.138 3.981 4.120 -0.001 0.000 0.256 187 V C 1.893 178.119 176.094 0.221 0.000 1.082 187 V CA 1.082 63.444 62.300 0.103 0.000 1.101 187 V CB -1.027 30.858 31.823 0.104 0.000 0.693 187 V HN 0.488 nan 8.190 nan 0.000 0.479 188 F N 1.265 121.198 119.950 -0.028 0.000 2.333 188 F HA 0.009 4.536 4.527 -0.001 0.000 0.300 188 F C 1.912 177.681 175.800 -0.052 0.000 1.083 188 F CA 1.103 59.085 58.000 -0.030 0.000 1.395 188 F CB -0.473 38.519 39.000 -0.013 0.000 1.056 188 F HN 0.321 nan 8.300 nan 0.000 0.529 189 D N 0.187 120.653 120.400 0.110 0.000 2.501 189 D HA 0.068 4.708 4.640 -0.001 0.000 0.226 189 D C 0.166 176.326 176.300 -0.232 0.000 1.198 189 D CA -0.145 53.842 54.000 -0.022 0.000 0.830 189 D CB 0.167 40.984 40.800 0.029 0.000 1.014 189 D HN 0.055 nan 8.370 nan 0.000 0.496 190 L N 2.291 123.370 121.223 -0.240 0.000 2.540 190 L HA 0.111 4.451 4.340 -0.001 0.000 0.276 190 L C -2.256 174.416 176.870 -0.330 0.000 1.212 190 L CA -0.611 53.975 54.840 -0.423 0.000 0.893 190 L CB 0.265 42.200 42.059 -0.206 0.000 1.138 190 L HN -0.211 nan 8.230 nan 0.000 0.491 191 P HA 0.025 nan 4.420 nan 0.000 0.266 191 P C -0.467 176.841 177.300 0.012 0.000 1.195 191 P CA 0.073 63.071 63.100 -0.169 0.000 0.768 191 P CB 0.475 32.082 31.700 -0.154 0.000 0.838 192 D N 0.761 121.172 120.400 0.018 0.000 2.363 192 D HA 0.009 4.649 4.640 -0.001 0.000 0.226 192 D C 0.146 176.529 176.300 0.139 0.000 1.020 192 D CA 0.846 54.902 54.000 0.092 0.000 0.892 192 D CB 0.177 41.003 40.800 0.043 0.000 0.900 192 D HN 0.078 nan 8.370 nan 0.000 0.531 193 V N 1.762 121.709 119.914 0.055 0.000 2.409 193 V HA 0.045 4.165 4.120 -0.001 0.000 0.291 193 V C 0.800 176.773 176.094 -0.201 0.000 1.020 193 V CA -0.921 61.386 62.300 0.012 0.000 0.848 193 V CB 1.600 33.432 31.823 0.014 0.000 0.990 193 V HN 0.021 nan 8.190 nan 0.000 0.430 194 Y N 4.491 124.461 120.300 -0.550 0.000 2.151 194 Y HA -0.287 4.263 4.550 -0.001 0.000 0.284 194 Y C 2.288 177.813 175.900 -0.625 0.000 1.166 194 Y CA 2.691 60.098 58.100 -1.156 0.000 1.163 194 Y CB -0.196 37.323 38.460 -1.569 0.000 0.974 194 Y HN 0.664 nan 8.280 nan 0.000 0.511 195 T N 0.954 115.277 114.554 -0.384 0.000 2.759 195 T HA -0.208 4.141 4.350 -0.001 0.000 0.269 195 T C 1.687 176.199 174.700 -0.313 0.000 1.042 195 T CA 1.614 63.523 62.100 -0.319 0.000 1.140 195 T CB -0.189 68.676 68.868 -0.006 0.000 0.864 195 T HN 0.408 nan 8.240 nan 0.000 0.455 196 Q N 0.166 119.835 119.800 -0.218 0.000 2.079 196 Q HA 0.013 4.352 4.340 -0.001 0.000 0.200 196 Q C 2.060 177.964 176.000 -0.160 0.000 0.974 196 Q CA 1.048 56.763 55.803 -0.146 0.000 0.840 196 Q CB -0.763 27.925 28.738 -0.082 0.000 0.898 196 Q HN 0.601 nan 8.270 nan 0.000 0.430 197 F N 1.966 121.686 119.950 -0.383 0.000 2.069 197 F HA -0.234 4.293 4.527 -0.001 0.000 0.298 197 F C 2.583 178.142 175.800 -0.402 0.000 1.113 197 F CA 1.926 59.740 58.000 -0.310 0.000 1.214 197 F CB -0.198 38.553 39.000 -0.415 0.000 0.978 197 F HN -0.031 nan 8.300 nan 0.000 0.474 198 R N 0.717 120.737 120.500 -0.800 0.000 2.080 198 R HA -0.193 4.147 4.340 -0.001 0.000 0.236 198 R C 2.340 178.314 176.300 -0.544 0.000 1.137 198 R CA 2.097 57.689 56.100 -0.847 0.000 0.943 198 R CB -0.359 29.338 30.300 -1.006 0.000 0.846 198 R HN 0.294 nan 8.270 nan 0.000 0.431 199 K N -0.124 120.051 120.400 -0.375 0.000 2.063 199 K HA -0.102 4.217 4.320 -0.001 0.000 0.208 199 K C 2.251 178.705 176.600 -0.243 0.000 1.048 199 K CA 1.843 57.994 56.287 -0.227 0.000 0.928 199 K CB -0.073 32.342 32.500 -0.142 0.000 0.713 199 K HN 0.143 nan 8.250 nan 0.000 0.442 200 S N 0.737 116.276 115.700 -0.269 0.000 2.348 200 S HA -0.131 4.339 4.470 -0.001 0.000 0.221 200 S C 2.228 176.572 174.600 -0.426 0.000 1.033 200 S CA 1.598 59.645 58.200 -0.255 0.000 1.010 200 S CB -0.349 62.809 63.200 -0.069 0.000 0.891 200 S HN 0.320 nan 8.310 nan 0.000 0.442 201 V N 0.743 120.256 119.914 -0.668 0.000 2.343 201 V HA -0.119 4.001 4.120 -0.001 0.000 0.247 201 V C 1.911 177.611 176.094 -0.655 0.000 1.051 201 V CA 1.684 63.453 62.300 -0.886 0.000 1.036 201 V CB -0.968 29.961 31.823 -1.490 0.000 0.654 201 V HN 0.386 nan 8.190 nan 0.000 0.451 202 E N 1.104 121.028 120.200 -0.459 0.000 2.110 202 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 202 E C 2.358 178.893 176.600 -0.109 0.000 0.988 202 E CA 1.422 57.719 56.400 -0.172 0.000 0.804 202 E CB -0.299 29.355 29.700 -0.077 0.000 0.745 202 E HN 0.746 nan 8.360 nan 0.000 0.458 203 A N 1.214 123.943 122.820 -0.152 0.000 1.898 203 A HA -0.093 4.226 4.320 -0.001 0.000 0.214 203 A C 1.833 179.352 177.584 -0.108 0.000 1.183 203 A CA 1.083 53.057 52.037 -0.105 0.000 0.622 203 A CB 0.057 18.994 19.000 -0.104 0.000 0.824 203 A HN 0.001 nan 8.150 nan 0.000 0.444 204 K N -1.937 118.361 120.400 -0.169 0.000 2.355 204 K HA 0.231 4.551 4.320 -0.001 0.000 0.198 204 K C -0.612 175.901 176.600 -0.145 0.000 1.039 204 K CA -0.123 56.067 56.287 -0.161 0.000 1.075 204 K CB 0.527 32.898 32.500 -0.216 0.000 0.870 204 K HN 0.439 nan 8.250 nan 0.000 0.540 205 C N 0.474 119.694 119.300 -0.134 0.000 2.614 205 C HA 0.521 4.980 4.460 -0.001 0.000 0.320 205 C C 0.204 175.269 174.990 0.126 0.000 1.200 205 C CA -0.948 58.057 59.018 -0.022 0.000 1.700 205 C CB 1.705 29.415 27.740 -0.050 0.000 2.275 205 C HN 0.153 nan 8.230 nan 0.000 0.492 206 S N 0.975 116.749 115.700 0.123 0.000 2.565 206 S HA 0.603 5.072 4.470 -0.001 0.000 0.290 206 S C -0.430 174.205 174.600 0.058 0.000 1.150 206 S CA -0.365 57.897 58.200 0.102 0.000 1.058 206 S CB 0.692 63.931 63.200 0.065 0.000 1.032 206 S HN 0.524 nan 8.310 nan 0.000 0.510 207 I N 2.766 123.274 120.570 -0.103 0.000 2.371 207 I HA 0.238 4.408 4.170 -0.001 0.000 0.290 207 I C 0.771 176.878 176.117 -0.016 0.000 1.028 207 I CA -0.328 60.816 61.300 -0.261 0.000 1.345 207 I CB 0.572 38.176 38.000 -0.659 0.000 1.407 207 I HN 0.406 nan 8.210 nan 0.000 0.501 208 R N 3.801 124.318 120.500 0.028 0.000 2.641 208 R HA 0.230 4.570 4.340 -0.001 0.000 0.269 208 R C 0.078 176.448 176.300 0.117 0.000 1.074 208 R CA -0.397 55.750 56.100 0.078 0.000 1.133 208 R CB 0.523 30.875 30.300 0.087 0.000 1.029 208 R HN 0.577 nan 8.270 nan 0.000 0.488 209 S N 1.190 116.958 115.700 0.113 0.000 2.568 209 S HA -0.015 4.454 4.470 -0.001 0.000 0.282 209 S C 0.280 174.948 174.600 0.113 0.000 1.338 209 S CA -0.475 57.802 58.200 0.127 0.000 1.045 209 S CB 0.739 63.999 63.200 0.099 0.000 0.873 209 S HN 0.670 nan 8.310 nan 0.000 0.516 210 S N 2.308 118.087 115.700 0.131 0.000 2.572 210 S HA 0.159 4.629 4.470 -0.001 0.000 0.279 210 S C 0.059 174.694 174.600 0.059 0.000 1.341 210 S CA -0.705 57.554 58.200 0.098 0.000 1.043 210 S CB 0.066 63.319 63.200 0.089 0.000 0.887 210 S HN 0.582 nan 8.310 nan 0.000 0.516 211 T N 4.621 119.185 114.554 0.016 0.000 2.814 211 T HA 0.252 4.602 4.350 -0.001 0.000 0.297 211 T C 0.236 174.900 174.700 -0.059 0.000 0.956 211 T CA -0.475 61.585 62.100 -0.067 0.000 1.123 211 T CB 0.015 68.829 68.868 -0.090 0.000 0.902 211 T HN 0.474 nan 8.240 nan 0.000 0.528 212 R N 3.014 123.464 120.500 -0.084 0.000 2.357 212 R HA 0.444 4.783 4.340 -0.001 0.000 0.296 212 R C -0.240 176.024 176.300 -0.059 0.000 1.052 212 R CA -0.709 55.378 56.100 -0.023 0.000 0.988 212 R CB 0.700 31.007 30.300 0.012 0.000 1.025 212 R HN 0.485 nan 8.270 nan 0.000 0.469 213 I N 4.219 124.762 120.570 -0.045 0.000 2.433 213 I HA 0.353 4.522 4.170 -0.001 0.000 0.292 213 I C -2.151 173.863 176.117 -0.172 0.000 1.001 213 I CA -3.104 58.136 61.300 -0.099 0.000 1.119 213 I CB 1.438 39.363 38.000 -0.124 0.000 1.289 213 I HN 0.156 nan 8.210 nan 0.000 0.438 214 P HA 0.216 nan 4.420 nan 0.000 0.270 214 P C 0.979 178.124 177.300 -0.258 0.000 1.223 214 P CA -0.256 62.663 63.100 -0.303 0.000 0.785 214 P CB 0.944 32.335 31.700 -0.514 0.000 0.923 215 L N -0.312 120.814 121.223 -0.163 0.000 2.291 215 L HA -0.007 4.333 4.340 -0.001 0.000 0.214 215 L C 1.169 177.959 176.870 -0.134 0.000 1.120 215 L CA 1.206 55.964 54.840 -0.136 0.000 0.799 215 L CB -0.213 41.800 42.059 -0.076 0.000 0.925 215 L HN 0.343 nan 8.230 nan 0.000 0.446 216 S N -0.295 115.329 115.700 -0.128 0.000 2.566 216 S HA 0.470 4.939 4.470 -0.001 0.000 0.324 216 S C 0.323 174.869 174.600 -0.090 0.000 1.081 216 S CA -0.621 57.535 58.200 -0.073 0.000 1.105 216 S CB 0.925 64.122 63.200 -0.004 0.000 0.981 216 S HN 0.166 nan 8.310 nan 0.000 0.464 217 L N 4.020 125.192 121.223 -0.084 0.000 2.817 217 L HA 0.401 4.741 4.340 -0.001 0.000 0.248 217 L C 1.575 178.538 176.870 0.154 0.000 1.133 217 L CA -0.246 54.568 54.840 -0.044 0.000 0.935 217 L CB -0.042 41.919 42.059 -0.165 0.000 1.266 217 L HN 0.723 nan 8.230 nan 0.000 0.535 218 G N 1.128 109.985 108.800 0.095 0.000 2.684 218 G HA2 0.355 4.314 3.960 -0.001 0.000 0.255 218 G HA3 0.355 4.314 3.960 -0.001 0.000 0.255 218 G C -2.348 172.625 174.900 0.122 0.000 1.219 218 G CA -0.408 44.748 45.100 0.094 0.000 0.901 218 G HN -0.087 nan 8.290 nan 0.000 0.548 219 P HA 0.375 nan 4.420 nan 0.000 0.284 219 P C 0.012 177.380 177.300 0.113 0.000 1.287 219 P CA -0.420 62.735 63.100 0.092 0.000 0.824 219 P CB 1.428 33.179 31.700 0.085 0.000 1.180 220 T N -3.209 111.430 114.554 0.142 0.000 2.897 220 T HA 0.584 4.933 4.350 -0.001 0.000 0.278 220 T C -2.362 172.448 174.700 0.184 0.000 0.981 220 T CA -1.907 60.313 62.100 0.200 0.000 0.973 220 T CB -0.151 68.941 68.868 0.373 0.000 1.092 220 T HN 0.183 nan 8.240 nan 0.000 0.543 221 P HA 0.276 nan 4.420 nan 0.000 0.274 221 P C -0.459 176.962 177.300 0.202 0.000 1.260 221 P CA -0.586 62.615 63.100 0.169 0.000 0.793 221 P CB 0.246 32.046 31.700 0.166 0.000 1.048 222 S N -0.012 115.810 115.700 0.203 0.000 2.481 222 S HA 0.283 4.753 4.470 -0.001 0.000 0.276 222 S C -0.484 174.202 174.600 0.144 0.000 1.247 222 S CA -0.360 57.941 58.200 0.168 0.000 1.053 222 S CB -0.733 62.539 63.200 0.119 0.000 0.925 222 S HN 0.150 nan 8.310 nan 0.000 0.491 223 V N 5.777 125.691 119.914 0.001 0.000 2.487 223 V HA 0.290 4.409 4.120 -0.001 0.000 0.298 223 V C 0.316 176.285 176.094 -0.207 0.000 1.028 223 V CA -0.724 61.421 62.300 -0.258 0.000 0.860 223 V CB 1.981 33.136 31.823 -1.115 0.000 0.991 223 V HN 0.823 nan 8.190 nan 0.000 0.427 224 D N 1.916 122.242 120.400 -0.123 0.000 2.097 224 D HA -0.030 4.609 4.640 -0.001 0.000 0.197 224 D C 0.488 176.754 176.300 -0.057 0.000 0.984 224 D CA 1.524 55.490 54.000 -0.056 0.000 0.826 224 D CB 0.325 41.104 40.800 -0.036 0.000 0.973 224 D HN 0.630 nan 8.370 nan 0.000 0.460 225 D N -1.431 118.896 120.400 -0.121 0.000 2.476 225 D HA 0.104 4.744 4.640 -0.001 0.000 0.251 225 D C -0.155 176.085 176.300 -0.099 0.000 1.291 225 D CA -0.647 53.327 54.000 -0.043 0.000 0.939 225 D CB 0.280 41.080 40.800 -0.000 0.000 1.221 225 D HN -0.105 nan 8.370 nan 0.000 0.567 226 W N 3.411 124.738 121.300 0.045 0.000 2.525 226 W HA 0.233 4.893 4.660 -0.001 0.000 0.259 226 W C 1.395 177.939 176.519 0.042 0.000 1.253 226 W CA 1.052 58.420 57.345 0.039 0.000 1.262 226 W CB 0.232 29.708 29.460 0.026 0.000 1.122 226 W HN 0.704 nan 8.180 nan 0.000 0.607 227 G N 0.898 109.823 108.800 0.208 0.000 2.788 227 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.686 227 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.686 227 G C -0.841 174.135 174.900 0.127 0.000 1.147 227 G CA -1.020 44.164 45.100 0.140 0.000 0.755 227 G HN -0.079 nan 8.290 nan 0.000 0.634 228 D N -0.542 119.911 120.400 0.088 0.000 2.348 228 D HA 0.448 5.088 4.640 -0.001 0.000 0.249 228 D C 0.716 177.051 176.300 0.058 0.000 1.110 228 D CA -0.211 53.828 54.000 0.064 0.000 0.967 228 D CB 1.870 42.697 40.800 0.045 0.000 1.139 228 D HN 0.343 nan 8.370 nan 0.000 0.466 229 V N 3.279 123.214 119.914 0.035 0.000 2.455 229 V HA 0.155 4.275 4.120 -0.001 0.000 0.273 229 V C -1.759 174.345 176.094 0.016 0.000 1.045 229 V CA -1.139 61.175 62.300 0.023 0.000 0.976 229 V CB 0.612 32.431 31.823 -0.006 0.000 0.993 229 V HN 0.401 nan 8.190 nan 0.000 0.475 230 P HA 0.179 nan 4.420 nan 0.000 0.271 230 P C 0.051 177.334 177.300 -0.028 0.000 1.216 230 P CA -0.103 62.995 63.100 -0.003 0.000 0.776 230 P CB 0.573 32.270 31.700 -0.005 0.000 0.881 231 T N -0.228 114.306 114.554 -0.033 0.000 2.898 231 T HA 0.172 4.521 4.350 -0.001 0.000 0.301 231 T C 1.606 176.261 174.700 -0.076 0.000 1.049 231 T CA -0.671 61.406 62.100 -0.039 0.000 1.095 231 T CB 0.295 69.149 68.868 -0.024 0.000 0.976 231 T HN 0.238 nan 8.240 nan 0.000 0.539 232 L N 0.847 122.030 121.223 -0.066 0.000 2.127 232 L HA -0.103 4.237 4.340 -0.001 0.000 0.211 232 L C 2.926 179.745 176.870 -0.086 0.000 1.089 232 L CA 1.492 56.275 54.840 -0.094 0.000 0.757 232 L CB -0.603 41.443 42.059 -0.022 0.000 0.899 232 L HN 0.815 nan 8.230 nan 0.000 0.434 233 E N 0.356 120.529 120.200 -0.046 0.000 2.106 233 E HA -0.215 4.135 4.350 -0.001 0.000 0.192 233 E C 2.048 178.626 176.600 -0.036 0.000 0.984 233 E CA 0.889 57.273 56.400 -0.026 0.000 0.806 233 E CB -0.105 29.590 29.700 -0.009 0.000 0.750 233 E HN 0.491 nan 8.360 nan 0.000 0.458 234 K N 0.828 121.198 120.400 -0.050 0.000 2.103 234 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 234 K C 1.969 178.524 176.600 -0.074 0.000 1.048 234 K CA 0.977 57.235 56.287 -0.049 0.000 0.930 234 K CB -0.107 32.365 32.500 -0.046 0.000 0.716 234 K HN 0.111 nan 8.250 nan 0.000 0.444 235 L N -0.380 120.753 121.223 -0.151 0.000 2.591 235 L HA 0.123 4.463 4.340 -0.001 0.000 0.228 235 L C 0.942 177.747 176.870 -0.110 0.000 1.133 235 L CA 0.240 54.939 54.840 -0.235 0.000 0.880 235 L CB 0.045 41.711 42.059 -0.656 0.000 1.033 235 L HN 0.422 nan 8.230 nan 0.000 0.450 236 G N 0.292 109.067 108.800 -0.042 0.000 2.132 236 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.228 236 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.228 236 G C -0.088 174.842 174.900 0.051 0.000 1.000 236 G CA -0.047 45.069 45.100 0.026 0.000 0.693 236 G HN 0.112 nan 8.290 nan 0.000 0.515 237 V N 0.257 120.184 119.914 0.022 0.000 2.448 237 V HA 0.587 4.707 4.120 -0.001 0.000 0.295 237 V C 0.227 176.347 176.094 0.043 0.000 1.025 237 V CA -0.982 61.356 62.300 0.063 0.000 0.859 237 V CB 1.849 33.728 31.823 0.094 0.000 0.988 237 V HN 0.388 nan 8.190 nan 0.000 0.431 238 E N 7.352 127.586 120.200 0.056 0.000 2.257 238 E HA 0.334 4.683 4.350 -0.001 0.000 0.278 238 E C -2.469 174.160 176.600 0.048 0.000 1.049 238 E CA -1.763 54.665 56.400 0.046 0.000 0.876 238 E CB 0.915 30.644 29.700 0.049 0.000 1.035 238 E HN 0.404 nan 8.360 nan 0.000 0.419 239 P HA -0.026 nan 4.420 nan 0.000 0.266 239 P C -1.179 176.148 177.300 0.046 0.000 1.193 239 P CA 0.282 63.406 63.100 0.041 0.000 0.770 239 P CB 0.403 32.121 31.700 0.030 0.000 0.836 240 Q N 1.410 121.240 119.800 0.051 0.000 2.331 240 Q HA 0.289 4.629 4.340 -0.001 0.000 0.272 240 Q C -1.121 174.912 176.000 0.055 0.000 1.062 240 Q CA -0.679 55.154 55.803 0.052 0.000 0.806 240 Q CB 1.687 30.457 28.738 0.054 0.000 1.312 240 Q HN 0.319 nan 8.270 nan 0.000 0.431 241 E N 1.554 121.786 120.200 0.053 0.000 2.221 241 E HA 0.342 4.692 4.350 -0.001 0.000 0.268 241 E C -0.935 175.706 176.600 0.068 0.000 0.933 241 E CA -0.718 55.717 56.400 0.058 0.000 0.809 241 E CB 2.163 31.892 29.700 0.047 0.000 1.190 241 E HN 0.440 nan 8.360 nan 0.000 0.406 242 V N 2.385 122.348 119.914 0.082 0.000 2.427 242 V HA 0.038 4.158 4.120 -0.001 0.000 0.268 242 V C 1.441 177.586 176.094 0.084 0.000 1.046 242 V CA 0.370 62.731 62.300 0.101 0.000 0.970 242 V CB 0.399 32.298 31.823 0.126 0.000 1.001 242 V HN 0.821 nan 8.190 nan 0.000 0.476 243 T N 2.173 116.779 114.554 0.087 0.000 3.065 243 T HA 0.234 4.583 4.350 -0.001 0.000 0.252 243 T C 0.632 175.357 174.700 0.041 0.000 1.099 243 T CA -0.000 62.134 62.100 0.056 0.000 1.063 243 T CB 0.336 69.233 68.868 0.048 0.000 0.948 243 T HN 0.535 nan 8.240 nan 0.000 0.506 244 R N -0.634 119.919 120.500 0.088 0.000 2.634 244 R HA 0.491 4.831 4.340 -0.001 0.000 0.263 244 R C -0.026 176.381 176.300 0.178 0.000 1.060 244 R CA 0.295 56.406 56.100 0.018 0.000 0.898 244 R CB 1.030 31.243 30.300 -0.145 0.000 1.253 244 R HN 0.398 nan 8.270 nan 0.000 0.461 245 G N 2.418 111.282 108.800 0.106 0.000 2.542 245 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.235 245 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.235 245 G C -0.535 174.490 174.900 0.209 0.000 1.286 245 G CA -0.088 45.196 45.100 0.306 0.000 0.904 245 G HN 0.538 nan 8.290 nan 0.000 0.577 246 M N 0.863 120.637 119.600 0.291 0.000 2.200 246 M HA 0.378 4.858 4.480 -0.001 0.000 0.355 246 M C 0.747 177.101 176.300 0.090 0.000 1.283 246 M CA -0.149 55.209 55.300 0.097 0.000 1.124 246 M CB 0.976 33.533 32.600 -0.071 0.000 1.625 246 M HN 0.435 nan 8.290 nan 0.000 0.463 247 R N 4.379 124.880 120.500 0.001 0.000 2.335 247 R HA 0.342 4.682 4.340 -0.001 0.000 0.302 247 R C -1.710 174.623 176.300 0.055 0.000 1.147 247 R CA -0.318 55.832 56.100 0.083 0.000 1.111 247 R CB 0.108 30.456 30.300 0.080 0.000 1.122 247 R HN 0.522 nan 8.270 nan 0.000 0.557 248 F N 2.353 122.350 119.950 0.079 0.000 2.484 248 F HA 0.131 4.658 4.527 -0.001 0.000 0.360 248 F C 0.813 176.778 175.800 0.275 0.000 1.101 248 F CA -0.074 57.994 58.000 0.113 0.000 1.251 248 F CB 1.028 39.929 39.000 -0.164 0.000 1.132 248 F HN 0.020 nan 8.300 nan 0.000 0.570 249 V N 3.558 123.788 119.914 0.528 0.000 2.370 249 V HA 0.435 4.554 4.120 -0.001 0.000 0.279 249 V C 0.639 176.889 176.094 0.261 0.000 1.029 249 V CA -0.969 61.536 62.300 0.342 0.000 0.870 249 V CB 0.908 32.890 31.823 0.265 0.000 0.984 249 V HN 0.911 nan 8.190 nan 0.000 0.451 250 G N 2.912 111.530 108.800 -0.303 0.000 2.491 250 G HA2 0.551 4.511 3.960 -0.001 0.000 0.242 250 G HA3 0.551 4.511 3.960 -0.001 0.000 0.242 250 G C 0.305 175.021 174.900 -0.306 0.000 1.266 250 G CA 0.549 45.061 45.100 -0.980 0.000 0.844 250 G HN 1.581 nan 8.290 nan 0.000 0.571 251 G N 0.441 109.123 108.800 -0.197 0.000 2.484 251 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.685 251 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.685 251 G C 0.438 175.391 174.900 0.089 0.000 1.294 251 G CA 0.381 45.447 45.100 -0.057 0.000 0.879 251 G HN 0.841 nan 8.290 nan 0.000 0.646 252 E N -0.011 120.201 120.200 0.019 0.000 2.085 252 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 252 E C 2.429 178.971 176.600 -0.097 0.000 0.994 252 E CA 2.142 58.535 56.400 -0.012 0.000 0.801 252 E CB -0.170 29.541 29.700 0.019 0.000 0.743 252 E HN 0.479 nan 8.360 nan 0.000 0.453 253 S N 0.588 116.249 115.700 -0.066 0.000 2.356 253 S HA -0.180 4.290 4.470 -0.001 0.000 0.223 253 S C 2.109 176.588 174.600 -0.202 0.000 1.032 253 S CA 1.114 59.230 58.200 -0.139 0.000 1.005 253 S CB -0.379 62.769 63.200 -0.087 0.000 0.867 253 S HN 0.516 nan 8.310 nan 0.000 0.449 254 A N 1.571 124.303 122.820 -0.148 0.000 1.933 254 A HA 0.072 4.392 4.320 -0.001 0.000 0.218 254 A C 2.332 179.531 177.584 -0.642 0.000 1.175 254 A CA 1.746 53.675 52.037 -0.180 0.000 0.628 254 A CB -1.446 17.631 19.000 0.128 0.000 0.814 254 A HN 0.521 nan 8.150 nan 0.000 0.444 255 G N -0.077 108.137 108.800 -0.976 0.000 2.421 255 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.216 255 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.216 255 G C 1.631 176.096 174.900 -0.724 0.000 1.171 255 G CA 2.003 46.227 45.100 -1.460 0.000 0.775 255 G HN 1.054 nan 8.290 nan 0.000 0.543 256 V N -0.459 119.192 119.914 -0.437 0.000 2.626 256 V HA 0.128 4.248 4.120 -0.001 0.000 0.252 256 V C 2.637 178.629 176.094 -0.170 0.000 1.067 256 V CA 1.874 64.024 62.300 -0.251 0.000 1.081 256 V CB -1.030 30.616 31.823 -0.296 0.000 0.686 256 V HN 0.279 nan 8.190 nan 0.000 0.468 257 G N 0.584 109.248 108.800 -0.227 0.000 2.418 257 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.217 257 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.217 257 G C 1.687 176.587 174.900 -0.001 0.000 1.158 257 G CA 0.965 46.014 45.100 -0.084 0.000 0.771 257 G HN 0.539 nan 8.290 nan 0.000 0.545 258 R N 0.368 120.743 120.500 -0.208 0.000 2.092 258 R HA 0.051 4.390 4.340 -0.001 0.000 0.231 258 R C 2.551 178.880 176.300 0.048 0.000 1.119 258 R CA 1.286 57.325 56.100 -0.101 0.000 0.970 258 R CB -0.915 29.211 30.300 -0.291 0.000 0.864 258 R HN 0.214 nan 8.270 nan 0.000 0.440 259 V N 0.954 120.771 119.914 -0.161 0.000 2.287 259 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 259 V C 2.075 178.159 176.094 -0.017 0.000 1.053 259 V CA 2.061 64.174 62.300 -0.312 0.000 1.027 259 V CB -0.793 30.714 31.823 -0.526 0.000 0.646 259 V HN 0.343 nan 8.190 nan 0.000 0.447 260 F N 1.237 121.214 119.950 0.045 0.000 2.095 260 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 260 F C 2.496 178.444 175.800 0.247 0.000 1.104 260 F CA 2.398 60.542 58.000 0.240 0.000 1.232 260 F CB -0.408 38.653 39.000 0.102 0.000 0.987 260 F HN 0.232 nan 8.300 nan 0.000 0.475 261 E N -1.133 119.064 120.200 -0.005 0.000 2.038 261 E HA -0.314 4.035 4.350 -0.001 0.000 0.195 261 E C 2.283 178.869 176.600 -0.023 0.000 1.000 261 E CA 1.711 58.050 56.400 -0.102 0.000 0.803 261 E CB -0.650 29.090 29.700 0.067 0.000 0.750 261 E HN 0.596 nan 8.360 nan 0.000 0.448 262 Y N -0.171 120.124 120.300 -0.009 0.000 2.184 262 Y HA -0.182 4.367 4.550 -0.001 0.000 0.290 262 Y C 1.866 177.831 175.900 0.108 0.000 1.129 262 Y CA 1.542 59.666 58.100 0.040 0.000 1.144 262 Y CB -0.275 38.224 38.460 0.064 0.000 0.995 262 Y HN 0.072 nan 8.280 nan 0.000 0.513 263 F N -1.630 118.189 119.950 -0.218 0.000 2.074 263 F HA -0.116 4.410 4.527 -0.001 0.000 0.293 263 F C 1.900 177.393 175.800 -0.511 0.000 1.116 263 F CA 1.145 58.791 58.000 -0.591 0.000 1.212 263 F CB -1.534 37.043 39.000 -0.705 0.000 0.998 263 F HN 0.111 nan 8.300 nan 0.000 0.471 264 W N 0.088 121.427 121.300 0.065 0.000 2.601 264 W HA 0.114 4.773 4.660 -0.001 0.000 0.292 264 W C 2.515 178.893 176.519 -0.235 0.000 1.153 264 W CA 0.442 57.763 57.345 -0.039 0.000 1.448 264 W CB -0.822 28.618 29.460 -0.033 0.000 1.113 264 W HN -0.201 nan 8.180 nan 0.000 0.548 265 K N 1.128 121.321 120.400 -0.344 0.000 2.009 265 K HA -0.181 4.138 4.320 -0.001 0.000 0.210 265 K C 1.636 178.165 176.600 -0.118 0.000 1.049 265 K CA 1.733 57.842 56.287 -0.297 0.000 0.929 265 K CB -0.142 32.108 32.500 -0.416 0.000 0.714 265 K HN 0.009 nan 8.250 nan 0.000 0.440 266 K N -0.407 119.916 120.400 -0.128 0.000 2.361 266 K HA -0.024 4.296 4.320 -0.001 0.000 0.194 266 K C -0.116 176.415 176.600 -0.116 0.000 1.032 266 K CA 0.503 56.729 56.287 -0.103 0.000 1.048 266 K CB 0.473 32.912 32.500 -0.101 0.000 0.842 266 K HN 0.158 nan 8.250 nan 0.000 0.526 267 D N 0.458 120.785 120.400 -0.121 0.000 2.800 267 D HA -0.172 4.468 4.640 -0.001 0.000 0.232 267 D C 0.163 176.358 176.300 -0.175 0.000 1.137 267 D CA 0.414 54.372 54.000 -0.069 0.000 0.718 267 D CB -1.183 39.608 40.800 -0.014 0.000 1.084 267 D HN 0.195 nan 8.370 nan 0.000 0.432 268 L N -0.526 120.445 121.223 -0.420 0.000 2.477 268 L HA 0.068 4.408 4.340 -0.001 0.000 0.220 268 L C 2.317 178.846 176.870 -0.568 0.000 1.106 268 L CA -0.130 54.408 54.840 -0.503 0.000 0.851 268 L CB -0.106 41.551 42.059 -0.669 0.000 0.994 268 L HN 0.198 nan 8.230 nan 0.000 0.462 269 L N 1.345 122.096 121.223 -0.786 0.000 2.081 269 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 269 L C 2.549 179.226 176.870 -0.322 0.000 1.080 269 L CA 1.932 56.353 54.840 -0.699 0.000 0.754 269 L CB -0.556 40.587 42.059 -1.525 0.000 0.893 269 L HN 0.320 nan 8.230 nan 0.000 0.433 270 K N -0.782 119.499 120.400 -0.198 0.000 2.515 270 K HA -0.041 4.279 4.320 -0.001 0.000 0.196 270 K C 1.052 177.661 176.600 0.016 0.000 1.038 270 K CA 1.405 57.698 56.287 0.010 0.000 0.967 270 K CB -0.389 32.175 32.500 0.107 0.000 0.780 270 K HN 0.396 nan 8.250 nan 0.000 0.483 271 V N -3.039 116.877 119.914 0.002 0.000 3.380 271 V HA 0.116 4.235 4.120 -0.001 0.000 0.307 271 V C 1.672 177.803 176.094 0.062 0.000 1.434 271 V CA -0.643 61.668 62.300 0.019 0.000 1.075 271 V CB -0.940 30.883 31.823 -0.000 0.000 0.954 271 V HN 0.241 nan 8.190 nan 0.000 0.444 272 Y N 2.487 122.801 120.300 0.023 0.000 2.114 272 Y HA -0.237 4.313 4.550 -0.001 0.000 0.282 272 Y C 2.393 178.346 175.900 0.088 0.000 1.165 272 Y CA 2.644 60.816 58.100 0.119 0.000 1.148 272 Y CB -0.084 38.478 38.460 0.170 0.000 0.972 272 Y HN 0.345 nan 8.280 nan 0.000 0.504 273 K N 0.225 120.478 120.400 -0.245 0.000 2.147 273 K HA -0.186 4.134 4.320 -0.001 0.000 0.205 273 K C 1.855 178.232 176.600 -0.372 0.000 1.049 273 K CA 1.748 57.755 56.287 -0.467 0.000 0.936 273 K CB -0.133 32.124 32.500 -0.406 0.000 0.722 273 K HN 0.558 nan 8.250 nan 0.000 0.446 274 E N -0.633 119.443 120.200 -0.207 0.000 2.150 274 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 274 E C 1.664 178.203 176.600 -0.103 0.000 0.985 274 E CA 1.656 57.973 56.400 -0.138 0.000 0.814 274 E CB 0.125 29.779 29.700 -0.076 0.000 0.752 274 E HN 0.484 nan 8.360 nan 0.000 0.466 275 T N -1.150 113.353 114.554 -0.086 0.000 3.022 275 T HA 0.061 4.410 4.350 -0.001 0.000 0.250 275 T C 1.698 176.413 174.700 0.025 0.000 1.060 275 T CA -0.232 61.872 62.100 0.007 0.000 1.013 275 T CB -0.053 68.877 68.868 0.103 0.000 0.982 275 T HN 0.123 nan 8.240 nan 0.000 0.508 276 R N 1.663 122.087 120.500 -0.126 0.000 2.285 276 R HA 0.106 4.446 4.340 -0.001 0.000 0.213 276 R C 0.920 177.209 176.300 -0.018 0.000 1.068 276 R CA 1.385 57.444 56.100 -0.068 0.000 1.004 276 R CB -0.929 29.096 30.300 -0.459 0.000 0.873 276 R HN 0.406 nan 8.270 nan 0.000 0.467 277 N N 0.644 119.262 118.700 -0.136 0.000 2.314 277 N HA 0.091 4.830 4.740 -0.001 0.000 0.200 277 N C 0.338 175.625 175.510 -0.372 0.000 1.135 277 N CA 0.172 53.048 53.050 -0.290 0.000 0.835 277 N CB 0.908 39.161 38.487 -0.389 0.000 0.989 277 N HN 0.342 nan 8.380 nan 0.000 0.478 278 G N -0.110 108.443 108.800 -0.412 0.000 2.651 278 G HA2 0.245 4.204 3.960 -0.001 0.000 0.260 278 G HA3 0.245 4.204 3.960 -0.001 0.000 0.260 278 G C 0.508 174.733 174.900 -1.125 0.000 1.216 278 G CA -0.257 44.459 45.100 -0.639 0.000 0.913 278 G HN 0.127 nan 8.290 nan 0.000 0.535 279 M N -0.981 118.105 119.600 -0.857 0.000 2.188 279 M HA 0.264 4.743 4.480 -0.001 0.000 0.310 279 M C -0.210 175.966 176.300 -0.206 0.000 0.993 279 M CA -0.084 54.769 55.300 -0.746 0.000 1.127 279 M CB 0.754 32.723 32.600 -1.050 0.000 1.927 279 M HN 0.254 nan 8.290 nan 0.000 0.655 280 L N 1.623 122.838 121.223 -0.012 0.000 2.287 280 L HA 0.790 5.129 4.340 -0.001 0.000 0.287 280 L C 0.193 177.199 176.870 0.227 0.000 1.022 280 L CA 0.470 55.457 54.840 0.245 0.000 0.814 280 L CB 1.050 43.212 42.059 0.173 0.000 1.217 280 L HN 0.364 nan 8.230 nan 0.000 0.420 281 G N 4.828 113.751 108.800 0.205 0.000 2.707 281 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.686 281 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.686 281 G C -2.439 172.497 174.900 0.060 0.000 1.315 281 G CA -0.319 44.816 45.100 0.059 0.000 0.832 281 G HN 0.506 nan 8.290 nan 0.000 0.573 282 P HA 0.061 nan 4.420 nan 0.000 0.222 282 P C 0.904 178.077 177.300 -0.212 0.000 1.153 282 P CA 1.464 64.439 63.100 -0.208 0.000 0.798 282 P CB 0.141 31.727 31.700 -0.190 0.000 0.796 283 D N -0.244 120.113 120.400 -0.072 0.000 2.219 283 D HA -0.158 4.481 4.640 -0.001 0.000 0.205 283 D C 1.863 178.228 176.300 0.109 0.000 0.970 283 D CA 1.021 55.047 54.000 0.044 0.000 0.851 283 D CB -0.932 39.901 40.800 0.055 0.000 0.943 283 D HN 0.404 nan 8.370 nan 0.000 0.488 284 Y N 0.425 120.774 120.300 0.083 0.000 2.509 284 Y HA 0.122 4.672 4.550 -0.001 0.000 0.293 284 Y C 0.681 176.658 175.900 0.128 0.000 1.133 284 Y CA 0.304 58.458 58.100 0.090 0.000 1.283 284 Y CB -0.232 38.251 38.460 0.039 0.000 1.001 284 Y HN -0.084 nan 8.280 nan 0.000 0.555 285 S N -1.699 113.802 115.700 -0.331 0.000 2.688 285 S HA 0.284 4.754 4.470 -0.001 0.000 0.275 285 S C 0.766 174.853 174.600 -0.856 0.000 1.175 285 S CA -0.254 57.813 58.200 -0.221 0.000 0.818 285 S CB 0.970 64.132 63.200 -0.064 0.000 1.157 285 S HN 0.335 nan 8.310 nan 0.000 0.482 286 T N -1.455 112.493 114.554 -1.011 0.000 2.867 286 T HA 0.037 4.386 4.350 -0.001 0.000 0.268 286 T C 0.477 174.604 174.700 -0.955 0.000 1.057 286 T CA 1.188 62.281 62.100 -1.678 0.000 1.136 286 T CB -0.838 66.777 68.868 -2.087 0.000 0.874 286 T HN 0.784 nan 8.240 nan 0.000 0.466 287 K N 0.360 120.494 120.400 -0.444 0.000 3.088 287 K HA -0.157 4.163 4.320 -0.001 0.000 0.273 287 K C 0.304 177.149 176.600 0.409 0.000 1.111 287 K CA 0.642 56.921 56.287 -0.013 0.000 0.803 287 K CB -2.516 29.956 32.500 -0.047 0.000 1.226 287 K HN 0.472 nan 8.250 nan 0.000 0.485 288 F N 0.647 120.722 119.950 0.207 0.000 2.502 288 F HA -0.082 4.445 4.527 -0.001 0.000 0.298 288 F C 2.542 178.543 175.800 0.336 0.000 1.111 288 F CA 0.974 59.175 58.000 0.336 0.000 1.445 288 F CB -0.835 38.257 39.000 0.154 0.000 1.081 288 F HN 0.217 nan 8.300 nan 0.000 0.558 289 S N 0.561 116.472 115.700 0.351 0.000 2.370 289 S HA -0.156 4.314 4.470 -0.001 0.000 0.226 289 S C -0.418 174.202 174.600 0.033 0.000 1.033 289 S CA 1.067 59.371 58.200 0.173 0.000 1.011 289 S CB -1.916 61.351 63.200 0.112 0.000 0.852 289 S HN 0.198 nan 8.310 nan 0.000 0.457 290 P HA -0.043 nan 4.420 nan 0.000 0.217 290 P C 1.250 178.509 177.300 -0.069 0.000 1.150 290 P CA 0.983 63.799 63.100 -0.472 0.000 0.832 290 P CB -0.232 30.687 31.700 -1.302 0.000 0.787 291 W N -0.802 120.664 121.300 0.277 0.000 2.418 291 W HA 0.052 4.712 4.660 -0.001 0.000 0.292 291 W C 1.998 178.639 176.519 0.203 0.000 1.213 291 W CA 0.621 58.152 57.345 0.309 0.000 1.283 291 W CB -1.137 28.456 29.460 0.223 0.000 1.119 291 W HN -0.019 nan 8.180 nan 0.000 0.542 292 L N 0.331 121.761 121.223 0.346 0.000 2.056 292 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 292 L C 2.754 179.680 176.870 0.094 0.000 1.078 292 L CA 1.491 56.445 54.840 0.191 0.000 0.749 292 L CB -1.100 41.061 42.059 0.169 0.000 0.901 292 L HN -0.177 nan 8.230 nan 0.000 0.433 293 A N -0.349 122.502 122.820 0.051 0.000 1.902 293 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 293 A C 1.894 179.377 177.584 -0.168 0.000 1.181 293 A CA 1.587 53.556 52.037 -0.114 0.000 0.623 293 A CB -0.764 18.111 19.000 -0.209 0.000 0.818 293 A HN 0.371 nan 8.150 nan 0.000 0.443 294 F N -0.533 119.455 119.950 0.064 0.000 2.797 294 F HA 0.311 4.837 4.527 -0.001 0.000 0.302 294 F C 1.842 177.686 175.800 0.072 0.000 1.130 294 F CA 0.664 58.718 58.000 0.091 0.000 1.387 294 F CB -0.013 39.088 39.000 0.168 0.000 1.107 294 F HN 0.376 nan 8.300 nan 0.000 0.577 295 G N -0.649 108.260 108.800 0.183 0.000 2.160 295 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.251 295 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.251 295 G C 1.041 176.026 174.900 0.141 0.000 1.008 295 G CA 0.367 45.527 45.100 0.101 0.000 0.724 295 G HN 0.441 nan 8.290 nan 0.000 0.514 296 C N -0.274 119.165 119.300 0.230 0.000 2.432 296 C HA 0.375 4.834 4.460 -0.001 0.000 0.280 296 C C 1.518 176.562 174.990 0.091 0.000 1.353 296 C CA 1.084 60.219 59.018 0.195 0.000 1.766 296 C CB -1.261 26.705 27.740 0.376 0.000 1.924 296 C HN 0.748 nan 8.230 nan 0.000 0.509 297 I N -1.549 119.086 120.570 0.109 0.000 3.042 297 I HA 0.688 4.857 4.170 -0.001 0.000 0.310 297 I C -0.519 175.632 176.117 0.057 0.000 1.117 297 I CA -0.367 60.945 61.300 0.019 0.000 1.003 297 I CB 2.189 40.191 38.000 0.003 0.000 1.228 297 I HN 0.051 nan 8.210 nan 0.000 0.443 298 S N 1.539 117.284 115.700 0.075 0.000 2.568 298 S HA 0.631 5.101 4.470 -0.001 0.000 0.293 298 S C -2.218 172.456 174.600 0.124 0.000 1.089 298 S CA -1.353 56.890 58.200 0.072 0.000 0.945 298 S CB 1.910 65.131 63.200 0.035 0.000 1.077 298 S HN 0.629 nan 8.310 nan 0.000 0.485 299 P HA -0.061 nan 4.420 nan 0.000 0.220 299 P C 1.140 178.510 177.300 0.117 0.000 1.148 299 P CA 0.881 64.041 63.100 0.100 0.000 0.803 299 P CB 0.087 31.833 31.700 0.076 0.000 0.782 300 R N -1.280 119.290 120.500 0.117 0.000 2.092 300 R HA -0.102 4.238 4.340 -0.001 0.000 0.231 300 R C 2.351 178.756 176.300 0.174 0.000 1.119 300 R CA 1.193 57.383 56.100 0.151 0.000 0.970 300 R CB -0.940 29.438 30.300 0.129 0.000 0.864 300 R HN 0.202 nan 8.270 nan 0.000 0.440 301 F N 1.562 121.497 119.950 -0.026 0.000 2.146 301 F HA -0.108 4.419 4.527 -0.001 0.000 0.298 301 F C 1.878 177.656 175.800 -0.037 0.000 1.096 301 F CA 1.226 59.144 58.000 -0.138 0.000 1.275 301 F CB -0.228 38.623 39.000 -0.249 0.000 1.008 301 F HN -0.145 nan 8.300 nan 0.000 0.480 302 I N -0.630 119.802 120.570 -0.229 0.000 2.226 302 I HA -0.322 3.848 4.170 -0.001 0.000 0.245 302 I C 2.326 178.461 176.117 0.031 0.000 1.100 302 I CA 1.679 62.844 61.300 -0.224 0.000 1.374 302 I CB -0.829 37.167 38.000 -0.005 0.000 1.057 302 I HN 0.245 nan 8.210 nan 0.000 0.413 303 Y N 2.023 122.315 120.300 -0.013 0.000 2.165 303 Y HA -0.272 4.277 4.550 -0.001 0.000 0.286 303 Y C 2.392 178.326 175.900 0.056 0.000 1.155 303 Y CA 1.689 59.808 58.100 0.032 0.000 1.164 303 Y CB -0.395 38.069 38.460 0.007 0.000 0.978 303 Y HN 0.199 nan 8.280 nan 0.000 0.513 304 E N -0.404 119.744 120.200 -0.085 0.000 2.110 304 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 304 E C 2.037 178.654 176.600 0.029 0.000 0.988 304 E CA 1.192 57.553 56.400 -0.065 0.000 0.804 304 E CB -0.044 29.746 29.700 0.151 0.000 0.745 304 E HN 0.518 nan 8.360 nan 0.000 0.458 305 E N 0.318 120.524 120.200 0.010 0.000 2.152 305 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 305 E C 2.287 179.083 176.600 0.328 0.000 0.983 305 E CA 0.531 57.073 56.400 0.236 0.000 0.818 305 E CB -0.005 29.745 29.700 0.083 0.000 0.758 305 E HN 0.132 nan 8.360 nan 0.000 0.467 306 V N 1.621 121.642 119.914 0.179 0.000 2.343 306 V HA -0.273 3.846 4.120 -0.001 0.000 0.247 306 V C 2.430 178.524 176.094 0.000 0.000 1.051 306 V CA 1.708 64.011 62.300 0.005 0.000 1.036 306 V CB -0.512 31.331 31.823 0.033 0.000 0.654 306 V HN 0.245 nan 8.190 nan 0.000 0.451 307 Q N -0.374 119.364 119.800 -0.104 0.000 2.061 307 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 307 Q C 2.490 178.520 176.000 0.050 0.000 0.984 307 Q CA 2.113 57.856 55.803 -0.100 0.000 0.846 307 Q CB -0.278 28.309 28.738 -0.252 0.000 0.902 307 Q HN 0.520 nan 8.270 nan 0.000 0.421 308 R N -0.385 120.206 120.500 0.152 0.000 2.075 308 R HA -0.193 4.146 4.340 -0.001 0.000 0.232 308 R C 2.148 178.685 176.300 0.394 0.000 1.126 308 R CA 1.304 57.572 56.100 0.281 0.000 0.963 308 R CB -0.282 30.243 30.300 0.374 0.000 0.858 308 R HN 0.302 nan 8.270 nan 0.000 0.435 309 Y N 1.443 121.841 120.300 0.163 0.000 2.181 309 Y HA -0.199 4.351 4.550 -0.001 0.000 0.288 309 Y C 1.719 177.538 175.900 -0.134 0.000 1.146 309 Y CA 2.034 59.985 58.100 -0.248 0.000 1.164 309 Y CB 0.078 38.132 38.460 -0.677 0.000 0.982 309 Y HN 0.180 nan 8.280 nan 0.000 0.515 310 E N -0.081 120.168 120.200 0.082 0.000 2.265 310 E HA -0.221 4.129 4.350 -0.001 0.000 0.196 310 E C 2.001 178.593 176.600 -0.012 0.000 0.996 310 E CA 1.189 57.609 56.400 0.034 0.000 0.832 310 E CB -0.036 29.706 29.700 0.069 0.000 0.756 310 E HN 0.473 nan 8.360 nan 0.000 0.491 311 K N 1.036 121.445 120.400 0.015 0.000 2.099 311 K HA -0.053 4.267 4.320 -0.001 0.000 0.203 311 K C 1.619 178.220 176.600 0.002 0.000 1.047 311 K CA 0.817 57.115 56.287 0.018 0.000 0.963 311 K CB 0.283 32.810 32.500 0.046 0.000 0.759 311 K HN -0.051 nan 8.250 nan 0.000 0.451 312 E N -0.452 119.772 120.200 0.040 0.000 2.385 312 E HA -0.002 4.348 4.350 -0.001 0.000 0.194 312 E C 1.560 178.118 176.600 -0.070 0.000 1.013 312 E CA 0.254 56.690 56.400 0.060 0.000 0.866 312 E CB 0.561 30.413 29.700 0.253 0.000 0.832 312 E HN 0.148 nan 8.360 nan 0.000 0.500 313 R N -0.393 119.922 120.500 -0.309 0.000 3.069 313 R HA 0.348 4.687 4.340 -0.001 0.000 0.141 313 R C 0.028 176.097 176.300 -0.384 0.000 1.845 313 R CA 0.196 55.991 56.100 -0.508 0.000 1.419 313 R CB 0.274 29.840 30.300 -1.222 0.000 1.346 313 R HN 0.027 nan 8.270 nan 0.000 0.467 314 V N 0.189 119.829 119.914 -0.457 0.000 3.077 314 V HA 0.747 4.866 4.120 -0.001 0.000 0.299 314 V C -1.942 174.140 176.094 -0.019 0.000 1.276 314 V CA -0.664 61.542 62.300 -0.155 0.000 0.993 314 V CB 2.056 33.831 31.823 -0.081 0.000 1.076 314 V HN 0.524 nan 8.190 nan 0.000 0.434 315 A N 4.674 127.505 122.820 0.019 0.000 2.318 315 A HA 0.998 5.317 4.320 -0.001 0.000 0.317 315 A C -0.474 177.153 177.584 0.072 0.000 1.159 315 A CA -0.078 52.002 52.037 0.071 0.000 0.799 315 A CB 0.979 20.017 19.000 0.064 0.000 1.194 315 A HN 1.584 nan 8.150 nan 0.000 0.479 316 N N 1.126 119.889 118.700 0.105 0.000 3.526 316 N HA 0.157 4.896 4.740 -0.001 0.000 0.328 316 N C 0.113 175.715 175.510 0.154 0.000 1.601 316 N CA -0.636 52.471 53.050 0.096 0.000 0.834 316 N CB 0.030 38.556 38.487 0.065 0.000 1.983 316 N HN 0.194 nan 8.380 nan 0.000 0.579 317 N N -0.360 118.421 118.700 0.136 0.000 2.309 317 N HA -0.006 4.733 4.740 -0.001 0.000 0.182 317 N C 0.877 176.583 175.510 0.326 0.000 1.018 317 N CA 1.033 54.213 53.050 0.217 0.000 0.876 317 N CB -0.179 38.366 38.487 0.097 0.000 0.972 317 N HN 0.525 nan 8.380 nan 0.000 0.434 318 S N -0.420 115.412 115.700 0.220 0.000 2.371 318 S HA -0.091 4.378 4.470 -0.001 0.000 0.224 318 S C 2.110 176.896 174.600 0.309 0.000 1.029 318 S CA 1.597 59.962 58.200 0.275 0.000 0.978 318 S CB -0.330 62.967 63.200 0.160 0.000 0.833 318 S HN 0.648 nan 8.310 nan 0.000 0.466 319 T N -0.349 114.319 114.554 0.189 0.000 2.821 319 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 319 T C 1.713 176.534 174.700 0.201 0.000 1.046 319 T CA 1.254 63.407 62.100 0.089 0.000 1.139 319 T CB -0.755 68.156 68.868 0.071 0.000 0.871 319 T HN 0.457 nan 8.240 nan 0.000 0.454 320 Y N 0.270 120.693 120.300 0.205 0.000 2.181 320 Y HA -0.047 4.503 4.550 -0.001 0.000 0.288 320 Y C 2.419 178.520 175.900 0.335 0.000 1.146 320 Y CA 1.019 59.270 58.100 0.252 0.000 1.164 320 Y CB -0.589 38.024 38.460 0.254 0.000 0.982 320 Y HN 0.287 nan 8.280 nan 0.000 0.515 321 W N 0.070 121.458 121.300 0.147 0.000 2.374 321 W HA -0.212 4.447 4.660 -0.001 0.000 0.288 321 W C 2.327 178.996 176.519 0.249 0.000 1.218 321 W CA 1.805 59.245 57.345 0.157 0.000 1.245 321 W CB -0.440 29.181 29.460 0.267 0.000 1.126 321 W HN 0.097 nan 8.180 nan 0.000 0.545 322 V N 1.495 121.558 119.914 0.249 0.000 2.392 322 V HA -0.301 3.818 4.120 -0.001 0.000 0.249 322 V C 2.154 178.257 176.094 0.016 0.000 1.059 322 V CA 1.911 64.196 62.300 -0.025 0.000 1.051 322 V CB -0.469 31.247 31.823 -0.178 0.000 0.658 322 V HN 0.094 nan 8.190 nan 0.000 0.455 323 L N -1.299 119.906 121.223 -0.031 0.000 2.056 323 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 323 L C 2.387 179.181 176.870 -0.128 0.000 1.078 323 L CA 2.016 56.823 54.840 -0.054 0.000 0.749 323 L CB -0.860 41.169 42.059 -0.050 0.000 0.901 323 L HN 0.429 nan 8.230 nan 0.000 0.433 324 F N 1.434 121.055 119.950 -0.549 0.000 2.087 324 F HA -0.281 4.245 4.527 -0.001 0.000 0.299 324 F C 2.607 178.306 175.800 -0.168 0.000 1.100 324 F CA 1.786 59.458 58.000 -0.547 0.000 1.226 324 F CB -0.004 38.289 39.000 -1.179 0.000 0.983 324 F HN 0.052 nan 8.300 nan 0.000 0.479 325 E N 0.476 120.722 120.200 0.076 0.000 2.107 325 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 325 E C 2.432 179.139 176.600 0.178 0.000 0.982 325 E CA 1.099 57.623 56.400 0.205 0.000 0.809 325 E CB -0.632 29.232 29.700 0.274 0.000 0.756 325 E HN 0.483 nan 8.360 nan 0.000 0.459 326 L N 0.647 121.946 121.223 0.128 0.000 2.191 326 L HA -0.132 4.207 4.340 -0.001 0.000 0.212 326 L C 2.420 179.389 176.870 0.166 0.000 1.103 326 L CA 0.725 55.651 54.840 0.143 0.000 0.769 326 L CB -0.348 41.784 42.059 0.122 0.000 0.908 326 L HN 0.090 nan 8.230 nan 0.000 0.438 327 I N -1.875 118.773 120.570 0.130 0.000 2.394 327 I HA -0.262 3.908 4.170 -0.001 0.000 0.251 327 I C 2.173 178.446 176.117 0.261 0.000 1.136 327 I CA 1.341 62.762 61.300 0.202 0.000 1.425 327 I CB -0.256 37.774 38.000 0.051 0.000 1.079 327 I HN 0.324 nan 8.210 nan 0.000 0.425 328 W N 1.213 122.544 121.300 0.051 0.000 2.358 328 W HA -0.187 4.473 4.660 -0.001 0.000 0.303 328 W C 2.883 179.422 176.519 0.033 0.000 1.208 328 W CA 1.249 58.520 57.345 -0.124 0.000 1.274 328 W CB -0.202 29.045 29.460 -0.354 0.000 1.138 328 W HN 0.016 nan 8.180 nan 0.000 0.515 329 R N 0.584 121.281 120.500 0.329 0.000 2.083 329 R HA -0.190 4.149 4.340 -0.001 0.000 0.237 329 R C 1.663 178.060 176.300 0.162 0.000 1.137 329 R CA 2.284 58.535 56.100 0.252 0.000 0.951 329 R CB -0.580 29.822 30.300 0.170 0.000 0.851 329 R HN 0.025 nan 8.270 nan 0.000 0.434 330 D N -0.513 119.986 120.400 0.165 0.000 2.104 330 D HA -0.212 4.428 4.640 -0.001 0.000 0.194 330 D C 1.563 177.858 176.300 -0.009 0.000 0.994 330 D CA 1.253 55.304 54.000 0.086 0.000 0.830 330 D CB -0.455 40.602 40.800 0.429 0.000 0.959 330 D HN 0.277 nan 8.370 nan 0.000 0.452 331 Y N 0.307 120.532 120.300 -0.124 0.000 2.128 331 Y HA -0.242 4.307 4.550 -0.001 0.000 0.284 331 Y C 1.999 177.710 175.900 -0.314 0.000 1.154 331 Y CA 1.388 59.151 58.100 -0.563 0.000 1.149 331 Y CB -0.588 37.451 38.460 -0.701 0.000 0.976 331 Y HN -0.109 nan 8.280 nan 0.000 0.505 332 F N 0.008 119.893 119.950 -0.107 0.000 2.234 332 F HA -0.101 4.426 4.527 -0.001 0.000 0.299 332 F C 2.571 178.263 175.800 -0.181 0.000 1.087 332 F CA 1.596 59.499 58.000 -0.162 0.000 1.340 332 F CB -0.767 38.227 39.000 -0.011 0.000 1.031 332 F HN -0.003 nan 8.300 nan 0.000 0.500 333 R N 0.152 120.638 120.500 -0.024 0.000 2.073 333 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 333 R C 1.951 178.208 176.300 -0.071 0.000 1.134 333 R CA 1.832 57.868 56.100 -0.107 0.000 0.952 333 R CB -1.116 29.034 30.300 -0.251 0.000 0.850 333 R HN 0.149 nan 8.270 nan 0.000 0.433 334 F N 0.097 120.050 119.950 0.006 0.000 2.186 334 F HA -0.008 4.519 4.527 -0.001 0.000 0.299 334 F C 1.971 177.680 175.800 -0.152 0.000 1.090 334 F CA 0.677 58.655 58.000 -0.037 0.000 1.307 334 F CB -0.842 38.113 39.000 -0.074 0.000 1.019 334 F HN 0.063 nan 8.300 nan 0.000 0.489 335 L N 0.269 121.390 121.223 -0.170 0.000 2.131 335 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 335 L C 2.650 179.464 176.870 -0.094 0.000 1.092 335 L CA 1.867 56.561 54.840 -0.243 0.000 0.759 335 L CB -1.010 40.782 42.059 -0.445 0.000 0.903 335 L HN 0.231 nan 8.230 nan 0.000 0.435 336 S N -1.024 114.654 115.700 -0.038 0.000 2.399 336 S HA -0.187 4.282 4.470 -0.001 0.000 0.231 336 S C 2.012 176.614 174.600 0.003 0.000 1.022 336 S CA 1.509 59.686 58.200 -0.037 0.000 0.983 336 S CB -0.826 62.372 63.200 -0.003 0.000 0.803 336 S HN 0.508 nan 8.310 nan 0.000 0.480 337 I N 1.390 122.007 120.570 0.078 0.000 2.286 337 I HA -0.078 4.092 4.170 -0.001 0.000 0.245 337 I C 2.838 179.003 176.117 0.079 0.000 1.104 337 I CA 1.340 62.720 61.300 0.133 0.000 1.397 337 I CB -0.326 37.807 38.000 0.222 0.000 1.072 337 I HN 0.311 nan 8.210 nan 0.000 0.417 338 K N 0.584 120.997 120.400 0.021 0.000 2.057 338 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 338 K C 2.153 178.655 176.600 -0.163 0.000 1.049 338 K CA 1.704 57.935 56.287 -0.094 0.000 0.931 338 K CB -0.032 32.410 32.500 -0.098 0.000 0.714 338 K HN 0.370 nan 8.250 nan 0.000 0.440 339 C N 0.016 119.242 119.300 -0.124 0.000 2.512 339 C HA 0.223 4.683 4.460 -0.001 0.000 0.276 339 C C 1.542 176.445 174.990 -0.145 0.000 1.368 339 C CA 0.119 59.054 59.018 -0.139 0.000 1.755 339 C CB -0.904 26.750 27.740 -0.143 0.000 2.008 339 C HN 0.841 nan 8.230 nan 0.000 0.511 340 G N 1.798 110.528 108.800 -0.115 0.000 2.614 340 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.303 340 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.303 340 G C 0.579 175.373 174.900 -0.177 0.000 1.270 340 G CA 0.786 45.836 45.100 -0.083 0.000 0.988 340 G HN 0.386 nan 8.290 nan 0.000 0.551 341 N N 1.500 120.126 118.700 -0.123 0.000 2.550 341 N HA -0.014 4.726 4.740 -0.001 0.000 0.186 341 N C 2.482 177.622 175.510 -0.616 0.000 1.110 341 N CA 1.549 54.487 53.050 -0.186 0.000 0.912 341 N CB -0.190 38.281 38.487 -0.026 0.000 0.968 341 N HN 0.799 nan 8.380 nan 0.000 0.448 342 S N 0.341 115.788 115.700 -0.422 0.000 2.442 342 S HA -0.087 4.382 4.470 -0.001 0.000 0.236 342 S C 1.850 176.297 174.600 -0.255 0.000 1.007 342 S CA 0.305 58.325 58.200 -0.300 0.000 0.965 342 S CB -0.384 62.775 63.200 -0.068 0.000 0.773 342 S HN 0.200 nan 8.310 nan 0.000 0.504 343 L N 0.209 121.178 121.223 -0.424 0.000 2.187 343 L HA 0.156 4.495 4.340 -0.001 0.000 0.213 343 L C 1.246 177.902 176.870 -0.358 0.000 1.100 343 L CA 1.613 56.169 54.840 -0.473 0.000 0.765 343 L CB -0.660 40.921 42.059 -0.797 0.000 0.904 343 L HN 0.354 nan 8.230 nan 0.000 0.437 344 F N -2.432 117.472 119.950 -0.075 0.000 2.704 344 F HA 0.245 4.772 4.527 -0.001 0.000 0.304 344 F C 1.029 176.908 175.800 0.132 0.000 1.094 344 F CA -0.730 57.251 58.000 -0.033 0.000 1.275 344 F CB -0.682 38.154 39.000 -0.273 0.000 1.073 344 F HN 0.039 nan 8.300 nan 0.000 0.586 345 H N -0.062 119.164 119.070 0.259 0.000 2.505 345 H HA 0.142 4.697 4.556 -0.001 0.000 0.351 345 H C 1.117 176.547 175.328 0.170 0.000 1.151 345 H CA -0.840 55.288 56.048 0.135 0.000 1.339 345 H CB 1.805 31.640 29.762 0.122 0.000 1.483 345 H HN -0.060 nan 8.280 nan 0.000 0.558 346 L N 2.401 123.681 121.223 0.095 0.000 2.013 346 L HA -0.124 4.216 4.340 -0.001 0.000 0.212 346 L C 2.233 179.334 176.870 0.384 0.000 1.073 346 L CA 2.311 57.195 54.840 0.073 0.000 0.753 346 L CB -0.879 41.154 42.059 -0.043 0.000 0.890 346 L HN 0.852 nan 8.230 nan 0.000 0.432 347 G N -1.882 107.093 108.800 0.292 0.000 2.744 347 G HA2 0.348 4.307 3.960 -0.001 0.000 0.211 347 G HA3 0.348 4.307 3.960 -0.001 0.000 0.211 347 G C 0.907 175.947 174.900 0.233 0.000 1.143 347 G CA 0.511 45.770 45.100 0.265 0.000 0.788 347 G HN 0.931 nan 8.290 nan 0.000 0.534 348 G N -0.020 108.948 108.800 0.280 0.000 2.752 348 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.234 348 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.234 348 G C -1.055 173.905 174.900 0.101 0.000 1.367 348 G CA -0.120 45.082 45.100 0.171 0.000 0.879 348 G HN 0.088 nan 8.290 nan 0.000 0.563 349 P HA -0.109 nan 4.420 nan 0.000 0.217 349 P C 1.788 179.106 177.300 0.030 0.000 1.151 349 P CA 1.888 64.995 63.100 0.012 0.000 0.849 349 P CB -0.013 31.683 31.700 -0.007 0.000 0.787 350 R N -1.520 119.006 120.500 0.043 0.000 2.297 350 R HA 0.041 4.381 4.340 -0.001 0.000 0.197 350 R C 0.125 176.462 176.300 0.063 0.000 0.943 350 R CA 0.127 56.254 56.100 0.044 0.000 1.038 350 R CB -0.600 29.724 30.300 0.041 0.000 0.957 350 R HN -0.003 nan 8.270 nan 0.000 0.484 351 N N 0.320 119.073 118.700 0.089 0.000 2.708 351 N HA -0.155 4.585 4.740 -0.001 0.000 0.255 351 N C -1.329 174.243 175.510 0.103 0.000 1.046 351 N CA 0.444 53.556 53.050 0.104 0.000 0.715 351 N CB -1.080 37.456 38.487 0.081 0.000 0.895 351 N HN -0.041 nan 8.380 nan 0.000 0.545 352 V N 1.207 121.199 119.914 0.130 0.000 2.715 352 V HA 0.075 4.194 4.120 -0.001 0.000 0.299 352 V C 1.475 177.668 176.094 0.166 0.000 1.054 352 V CA 0.092 62.477 62.300 0.142 0.000 1.077 352 V CB 1.300 33.228 31.823 0.175 0.000 0.972 352 V HN 0.477 nan 8.190 nan 0.000 0.484 353 N N 2.060 120.833 118.700 0.120 0.000 2.235 353 N HA 0.217 4.956 4.740 -0.001 0.000 0.209 353 N C 1.025 176.567 175.510 0.053 0.000 1.122 353 N CA 0.222 53.324 53.050 0.087 0.000 0.845 353 N CB 0.427 38.939 38.487 0.042 0.000 1.004 353 N HN 0.879 nan 8.380 nan 0.000 0.499 354 G N 1.108 109.954 108.800 0.078 0.000 2.597 354 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.283 354 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.283 354 G C -0.167 174.478 174.900 -0.426 0.000 1.319 354 G CA -0.235 44.764 45.100 -0.169 0.000 1.054 354 G HN 0.324 nan 8.290 nan 0.000 0.583 355 K N -1.394 118.493 120.400 -0.854 0.000 2.292 355 K HA 0.533 4.853 4.320 -0.001 0.000 0.257 355 K C -1.883 174.109 176.600 -1.013 0.000 0.940 355 K CA -0.943 54.935 56.287 -0.682 0.000 0.811 355 K CB 1.809 34.076 32.500 -0.388 0.000 1.120 355 K HN 0.538 nan 8.250 nan 0.000 0.428 356 W N 1.734 123.031 121.300 -0.005 0.000 2.968 356 W HA 0.239 4.899 4.660 -0.001 0.000 0.337 356 W C -0.201 176.298 176.519 -0.032 0.000 1.060 356 W CA -0.973 56.364 57.345 -0.014 0.000 1.240 356 W CB 2.343 31.796 29.460 -0.013 0.000 1.370 356 W HN 0.627 nan 8.180 nan 0.000 0.459 357 S N 1.743 117.568 115.700 0.208 0.000 2.592 357 S HA 0.208 4.677 4.470 -0.001 0.000 0.271 357 S C 0.325 174.963 174.600 0.063 0.000 1.326 357 S CA 0.074 58.334 58.200 0.100 0.000 1.024 357 S CB 0.927 64.168 63.200 0.069 0.000 0.921 357 S HN 0.638 nan 8.310 nan 0.000 0.527 358 Q N 1.625 121.443 119.800 0.031 0.000 2.182 358 Q HA 0.188 4.528 4.340 -0.001 0.000 0.305 358 Q C -0.874 175.123 176.000 -0.006 0.000 0.880 358 Q CA -0.301 55.489 55.803 -0.021 0.000 1.131 358 Q CB 0.464 29.230 28.738 0.047 0.000 1.237 358 Q HN 0.719 nan 8.270 nan 0.000 0.447 359 D N 1.157 121.569 120.400 0.020 0.000 2.412 359 D HA -0.092 4.548 4.640 -0.001 0.000 0.257 359 D C 0.780 177.125 176.300 0.074 0.000 1.217 359 D CA 0.417 54.444 54.000 0.045 0.000 0.897 359 D CB 1.239 42.069 40.800 0.050 0.000 1.132 359 D HN 0.169 nan 8.370 nan 0.000 0.493 360 Q N 4.396 124.244 119.800 0.081 0.000 2.119 360 Q HA -0.143 4.196 4.340 -0.001 0.000 0.201 360 Q C 1.734 177.816 176.000 0.137 0.000 0.972 360 Q CA 1.502 57.380 55.803 0.125 0.000 0.847 360 Q CB 0.145 28.945 28.738 0.104 0.000 0.903 360 Q HN 0.480 nan 8.270 nan 0.000 0.433 361 K N -0.485 119.970 120.400 0.092 0.000 2.026 361 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 361 K C 2.035 178.685 176.600 0.083 0.000 1.048 361 K CA 1.347 57.676 56.287 0.071 0.000 0.929 361 K CB -0.198 32.334 32.500 0.054 0.000 0.713 361 K HN 0.239 nan 8.250 nan 0.000 0.439 362 L N -0.074 121.210 121.223 0.101 0.000 2.017 362 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 362 L C 2.373 179.334 176.870 0.152 0.000 1.073 362 L CA 1.183 56.094 54.840 0.119 0.000 0.745 362 L CB -0.423 41.696 42.059 0.101 0.000 0.894 362 L HN 0.181 nan 8.230 nan 0.000 0.432 363 F N 1.134 121.087 119.950 0.005 0.000 2.126 363 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 363 F C 2.390 178.213 175.800 0.038 0.000 1.096 363 F CA 1.792 59.786 58.000 -0.011 0.000 1.255 363 F CB -0.218 38.721 39.000 -0.101 0.000 0.997 363 F HN 0.089 nan 8.300 nan 0.000 0.479 364 E N -0.277 119.845 120.200 -0.131 0.000 2.150 364 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 364 E C 2.348 178.823 176.600 -0.208 0.000 0.985 364 E CA 1.379 57.618 56.400 -0.267 0.000 0.814 364 E CB -0.262 29.380 29.700 -0.095 0.000 0.752 364 E HN 0.542 nan 8.360 nan 0.000 0.466 365 S N -0.029 115.636 115.700 -0.057 0.000 2.423 365 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 365 S C 1.661 176.282 174.600 0.036 0.000 1.014 365 S CA 0.488 58.688 58.200 -0.000 0.000 0.965 365 S CB -0.441 62.805 63.200 0.077 0.000 0.785 365 S HN 0.482 nan 8.310 nan 0.000 0.495 366 W N 2.661 123.868 121.300 -0.155 0.000 2.408 366 W HA 0.135 4.794 4.660 -0.001 0.000 0.311 366 W C 2.685 179.027 176.519 -0.295 0.000 1.190 366 W CA 1.204 58.471 57.345 -0.130 0.000 1.321 366 W CB -0.378 29.043 29.460 -0.064 0.000 1.143 366 W HN 0.172 nan 8.180 nan 0.000 0.501 367 R N 0.218 120.437 120.500 -0.468 0.000 2.096 367 R HA -0.184 4.155 4.340 -0.001 0.000 0.240 367 R C 0.917 176.891 176.300 -0.544 0.000 1.139 367 R CA 2.180 57.760 56.100 -0.867 0.000 0.952 367 R CB -0.702 28.762 30.300 -1.393 0.000 0.854 367 R HN 0.088 nan 8.270 nan 0.000 0.436 368 D N -0.469 119.701 120.400 -0.383 0.000 2.325 368 D HA 0.145 4.785 4.640 -0.001 0.000 0.225 368 D C 0.036 176.235 176.300 -0.168 0.000 1.096 368 D CA 0.794 54.654 54.000 -0.233 0.000 0.844 368 D CB 0.758 41.448 40.800 -0.184 0.000 0.925 368 D HN 0.365 nan 8.370 nan 0.000 0.513 369 A N 1.129 123.832 122.820 -0.195 0.000 2.667 369 A HA -0.268 4.052 4.320 -0.001 0.000 0.298 369 A C 0.576 178.123 177.584 -0.062 0.000 1.483 369 A CA 0.728 52.685 52.037 -0.133 0.000 0.738 369 A CB -2.150 16.778 19.000 -0.119 0.000 1.067 369 A HN 0.335 nan 8.150 nan 0.000 0.451 370 K N -0.523 119.846 120.400 -0.051 0.000 3.165 370 K HA 0.164 4.484 4.320 -0.001 0.000 0.206 370 K C 1.339 177.948 176.600 0.015 0.000 1.123 370 K CA 0.463 56.721 56.287 -0.048 0.000 0.978 370 K CB 0.322 32.778 32.500 -0.072 0.000 0.749 370 K HN 0.757 nan 8.250 nan 0.000 0.454 371 T N -2.770 111.838 114.554 0.090 0.000 3.023 371 T HA 0.042 4.392 4.350 -0.001 0.000 0.266 371 T C 1.575 176.370 174.700 0.159 0.000 1.093 371 T CA 1.041 63.274 62.100 0.222 0.000 1.129 371 T CB 0.021 69.076 68.868 0.311 0.000 0.899 371 T HN 0.421 nan 8.240 nan 0.000 0.491 372 G N 0.365 109.214 108.800 0.081 0.000 2.176 372 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.253 372 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.253 372 G C -0.213 174.682 174.900 -0.007 0.000 0.979 372 G CA 0.086 45.195 45.100 0.016 0.000 0.641 372 G HN 0.630 nan 8.290 nan 0.000 0.530 373 Y N 0.094 120.531 120.300 0.229 0.000 2.478 373 Y HA 0.462 5.012 4.550 -0.001 0.000 0.329 373 Y C -1.077 174.824 175.900 0.000 0.000 0.967 373 Y CA -2.137 56.020 58.100 0.095 0.000 1.255 373 Y CB 1.777 40.222 38.460 -0.025 0.000 1.103 373 Y HN -0.048 nan 8.280 nan 0.000 0.497 374 P HA -0.275 nan 4.420 nan 0.000 0.218 374 P C 1.814 179.098 177.300 -0.027 0.000 1.154 374 P CA 1.282 64.279 63.100 -0.172 0.000 0.872 374 P CB 0.365 31.876 31.700 -0.314 0.000 0.790 375 L N -1.188 120.044 121.223 0.016 0.000 2.046 375 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 375 L C 2.050 178.927 176.870 0.012 0.000 1.077 375 L CA 1.955 56.827 54.840 0.055 0.000 0.747 375 L CB -1.149 40.925 42.059 0.026 0.000 0.896 375 L HN -0.122 nan 8.230 nan 0.000 0.432 376 I N -0.375 120.148 120.570 -0.078 0.000 2.233 376 I HA -0.203 3.967 4.170 -0.001 0.000 0.243 376 I C 2.138 178.172 176.117 -0.138 0.000 1.093 376 I CA 1.148 62.337 61.300 -0.185 0.000 1.380 376 I CB -1.490 36.235 38.000 -0.459 0.000 1.067 376 I HN 0.278 nan 8.210 nan 0.000 0.413 377 D N 1.306 121.669 120.400 -0.062 0.000 2.117 377 D HA -0.102 4.538 4.640 -0.001 0.000 0.197 377 D C 2.275 178.526 176.300 -0.082 0.000 0.987 377 D CA 1.512 55.484 54.000 -0.047 0.000 0.829 377 D CB -0.083 40.779 40.800 0.103 0.000 0.961 377 D HN 0.283 nan 8.370 nan 0.000 0.460 378 A N 1.215 124.008 122.820 -0.046 0.000 1.902 378 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 378 A C 2.051 179.494 177.584 -0.235 0.000 1.181 378 A CA 1.283 53.251 52.037 -0.115 0.000 0.623 378 A CB -0.478 18.461 19.000 -0.102 0.000 0.818 378 A HN 0.140 nan 8.150 nan 0.000 0.443 379 N N -0.534 118.146 118.700 -0.033 0.000 2.084 379 N HA -0.123 4.616 4.740 -0.001 0.000 0.190 379 N C 1.696 177.050 175.510 -0.260 0.000 1.030 379 N CA 1.680 54.683 53.050 -0.077 0.000 0.849 379 N CB -0.296 38.161 38.487 -0.050 0.000 1.012 379 N HN 0.327 nan 8.380 nan 0.000 0.423 380 M N 1.154 120.581 119.600 -0.288 0.000 2.175 380 M HA -0.072 4.407 4.480 -0.001 0.000 0.264 380 M C 2.048 178.164 176.300 -0.306 0.000 1.063 380 M CA 1.048 56.138 55.300 -0.350 0.000 1.119 380 M CB -0.902 31.413 32.600 -0.474 0.000 1.377 380 M HN 0.086 nan 8.290 nan 0.000 0.415 381 K N 0.458 120.661 120.400 -0.328 0.000 2.025 381 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 381 K C 2.004 178.249 176.600 -0.592 0.000 1.049 381 K CA 1.483 57.566 56.287 -0.340 0.000 0.933 381 K CB -0.036 32.320 32.500 -0.239 0.000 0.714 381 K HN 0.344 nan 8.250 nan 0.000 0.438 382 E N 0.505 120.101 120.200 -1.007 0.000 2.058 382 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 382 E C 2.057 178.378 176.600 -0.465 0.000 0.997 382 E CA 1.294 56.988 56.400 -1.177 0.000 0.801 382 E CB -0.109 29.025 29.700 -0.943 0.000 0.746 382 E HN 0.240 nan 8.360 nan 0.000 0.450 383 L N 1.082 122.086 121.223 -0.364 0.000 2.012 383 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 383 L C 2.491 179.225 176.870 -0.227 0.000 1.073 383 L CA 2.636 57.298 54.840 -0.297 0.000 0.748 383 L CB -0.740 41.104 42.059 -0.358 0.000 0.891 383 L HN 0.262 nan 8.230 nan 0.000 0.431 384 S N -3.261 112.336 115.700 -0.172 0.000 2.453 384 S HA -0.095 4.375 4.470 -0.001 0.000 0.231 384 S C 1.690 176.258 174.600 -0.053 0.000 1.005 384 S CA 1.129 59.282 58.200 -0.079 0.000 0.949 384 S CB -0.833 62.386 63.200 0.032 0.000 0.774 384 S HN 0.529 nan 8.310 nan 0.000 0.510 385 T N 1.777 116.290 114.554 -0.069 0.000 3.009 385 T HA 0.057 4.407 4.350 -0.001 0.000 0.258 385 T C 1.969 176.720 174.700 0.085 0.000 1.063 385 T CA 1.485 63.605 62.100 0.033 0.000 1.139 385 T CB -0.168 68.767 68.868 0.112 0.000 0.890 385 T HN 0.807 nan 8.240 nan 0.000 0.471 386 T N -2.186 112.405 114.554 0.062 0.000 2.958 386 T HA 0.442 4.792 4.350 -0.001 0.000 0.256 386 T C 1.771 176.524 174.700 0.089 0.000 0.983 386 T CA 0.799 62.989 62.100 0.151 0.000 0.924 386 T CB 0.200 69.240 68.868 0.286 0.000 1.136 386 T HN 0.426 nan 8.240 nan 0.000 0.506 387 G N 1.218 110.000 108.800 -0.030 0.000 2.143 387 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.248 387 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.248 387 G C -0.191 174.637 174.900 -0.118 0.000 0.991 387 G CA 0.361 45.386 45.100 -0.125 0.000 0.689 387 G HN 0.762 nan 8.290 nan 0.000 0.522 388 F N -0.286 119.547 119.950 -0.195 0.000 2.599 388 F HA 0.843 5.370 4.527 -0.001 0.000 0.311 388 F C -0.368 175.343 175.800 -0.148 0.000 1.076 388 F CA -1.293 56.596 58.000 -0.185 0.000 0.937 388 F CB 1.833 40.818 39.000 -0.025 0.000 1.282 388 F HN 0.120 nan 8.300 nan 0.000 0.460 389 M N 4.097 123.199 119.600 -0.829 0.000 2.433 389 M HA 0.377 4.857 4.480 -0.001 0.000 0.290 389 M C -0.949 174.955 176.300 -0.661 0.000 1.173 389 M CA -0.685 54.316 55.300 -0.499 0.000 0.905 389 M CB 2.163 34.485 32.600 -0.464 0.000 1.692 389 M HN 0.768 nan 8.290 nan 0.000 0.462 390 S N 2.472 118.080 115.700 -0.153 0.000 2.566 390 S HA 0.006 4.476 4.470 -0.001 0.000 0.280 390 S C 0.803 175.291 174.600 -0.185 0.000 1.343 390 S CA 0.168 58.364 58.200 -0.007 0.000 1.036 390 S CB 0.531 63.691 63.200 -0.066 0.000 0.866 390 S HN 0.967 nan 8.310 nan 0.000 0.526 391 N N 1.597 120.239 118.700 -0.097 0.000 2.094 391 N HA -0.253 4.487 4.740 -0.001 0.000 0.191 391 N C 1.898 177.283 175.510 -0.208 0.000 1.023 391 N CA 1.503 54.464 53.050 -0.147 0.000 0.857 391 N CB -0.234 38.215 38.487 -0.062 0.000 1.013 391 N HN 0.685 nan 8.380 nan 0.000 0.426 392 R N 0.640 120.999 120.500 -0.234 0.000 2.083 392 R HA -0.036 4.304 4.340 -0.001 0.000 0.237 392 R C 2.273 178.387 176.300 -0.310 0.000 1.137 392 R CA 2.037 57.948 56.100 -0.314 0.000 0.951 392 R CB -1.376 28.659 30.300 -0.442 0.000 0.851 392 R HN 0.332 nan 8.270 nan 0.000 0.434 393 G N 0.208 108.835 108.800 -0.288 0.000 2.418 393 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.217 393 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.217 393 G C 1.456 176.231 174.900 -0.208 0.000 1.158 393 G CA 0.832 45.786 45.100 -0.243 0.000 0.771 393 G HN 0.362 nan 8.290 nan 0.000 0.545 394 R N 0.015 120.393 120.500 -0.202 0.000 2.091 394 R HA -0.083 4.256 4.340 -0.001 0.000 0.238 394 R C 2.827 178.936 176.300 -0.317 0.000 1.136 394 R CA 1.565 57.593 56.100 -0.119 0.000 0.959 394 R CB -0.349 29.892 30.300 -0.099 0.000 0.856 394 R HN 0.470 nan 8.270 nan 0.000 0.437 395 Q N 0.335 119.875 119.800 -0.434 0.000 2.084 395 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 395 Q C 2.180 177.619 176.000 -0.935 0.000 0.978 395 Q CA 1.347 56.742 55.803 -0.681 0.000 0.844 395 Q CB -0.108 28.218 28.738 -0.685 0.000 0.898 395 Q HN 0.378 nan 8.270 nan 0.000 0.426 396 I N 0.394 120.514 120.570 -0.750 0.000 2.202 396 I HA -0.227 3.943 4.170 -0.001 0.000 0.242 396 I C 2.400 178.385 176.117 -0.219 0.000 1.091 396 I CA 1.062 62.031 61.300 -0.551 0.000 1.368 396 I CB -0.447 37.387 38.000 -0.277 0.000 1.058 396 I HN 0.147 nan 8.210 nan 0.000 0.410 397 V N -1.575 118.293 119.914 -0.077 0.000 2.515 397 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 397 V C 2.501 178.774 176.094 0.299 0.000 1.058 397 V CA 1.590 64.039 62.300 0.249 0.000 1.064 397 V CB -1.259 30.774 31.823 0.350 0.000 0.675 397 V HN 0.662 nan 8.190 nan 0.000 0.461 398 C N 0.654 119.874 119.300 -0.133 0.000 2.436 398 C HA -0.146 4.313 4.460 -0.001 0.000 0.277 398 C C 3.181 178.099 174.990 -0.120 0.000 1.241 398 C CA 1.891 60.672 59.018 -0.395 0.000 1.721 398 C CB -0.875 26.275 27.740 -0.983 0.000 2.043 398 C HN 0.741 nan 8.230 nan 0.000 0.472 399 S N -0.867 114.725 115.700 -0.181 0.000 2.374 399 S HA -0.222 4.247 4.470 -0.001 0.000 0.227 399 S C 1.707 176.330 174.600 0.038 0.000 1.037 399 S CA 1.979 60.140 58.200 -0.066 0.000 1.024 399 S CB -0.766 62.364 63.200 -0.118 0.000 0.861 399 S HN 0.707 nan 8.310 nan 0.000 0.456 400 F N 1.613 121.533 119.950 -0.049 0.000 2.102 400 F HA 0.014 4.541 4.527 -0.001 0.000 0.298 400 F C 1.991 177.822 175.800 0.053 0.000 1.105 400 F CA 1.670 59.685 58.000 0.025 0.000 1.239 400 F CB -0.462 38.588 39.000 0.083 0.000 0.991 400 F HN 0.282 nan 8.300 nan 0.000 0.474 401 L N -0.605 120.695 121.223 0.129 0.000 2.017 401 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 401 L C 2.084 178.889 176.870 -0.107 0.000 1.073 401 L CA 1.453 56.204 54.840 -0.148 0.000 0.745 401 L CB -0.470 41.322 42.059 -0.445 0.000 0.894 401 L HN 0.034 nan 8.230 nan 0.000 0.432 402 V N -0.071 119.835 119.914 -0.013 0.000 2.323 402 V HA -0.162 3.957 4.120 -0.001 0.000 0.244 402 V C 2.572 178.741 176.094 0.125 0.000 1.041 402 V CA 1.985 64.293 62.300 0.014 0.000 1.025 402 V CB -0.611 31.211 31.823 -0.002 0.000 0.656 402 V HN 0.442 nan 8.190 nan 0.000 0.451 403 R N -0.547 120.022 120.500 0.114 0.000 2.146 403 R HA 0.049 4.389 4.340 -0.001 0.000 0.206 403 R C 1.867 178.229 176.300 0.103 0.000 1.049 403 R CA 0.950 57.170 56.100 0.200 0.000 1.029 403 R CB -0.190 30.326 30.300 0.361 0.000 0.949 403 R HN 0.490 nan 8.270 nan 0.000 0.471 404 D N 0.677 121.035 120.400 -0.069 0.000 2.162 404 D HA -0.004 4.636 4.640 -0.001 0.000 0.205 404 D C 1.855 177.983 176.300 -0.287 0.000 0.964 404 D CA 1.121 54.973 54.000 -0.246 0.000 0.847 404 D CB 0.219 40.646 40.800 -0.622 0.000 0.988 404 D HN 0.164 nan 8.370 nan 0.000 0.480 405 M N -0.547 118.856 119.600 -0.328 0.000 2.501 405 M HA 0.161 4.640 4.480 -0.001 0.000 0.261 405 M C 1.140 177.425 176.300 -0.025 0.000 1.129 405 M CA 0.535 55.735 55.300 -0.166 0.000 1.126 405 M CB 0.767 33.274 32.600 -0.155 0.000 1.359 405 M HN 0.010 nan 8.290 nan 0.000 0.471 406 G N 2.368 111.193 108.800 0.042 0.000 2.176 406 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.252 406 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.252 406 G C -0.127 174.925 174.900 0.253 0.000 1.024 406 G CA -0.117 45.100 45.100 0.196 0.000 0.755 406 G HN 0.376 nan 8.290 nan 0.000 0.507 407 L N 0.288 121.575 121.223 0.107 0.000 2.357 407 L HA 0.360 4.699 4.340 -0.001 0.000 0.273 407 L C 0.765 177.598 176.870 -0.062 0.000 1.080 407 L CA -1.018 53.833 54.840 0.018 0.000 0.803 407 L CB 0.889 42.882 42.059 -0.111 0.000 1.174 407 L HN 0.146 nan 8.230 nan 0.000 0.443 408 D N 3.000 123.343 120.400 -0.095 0.000 2.570 408 D HA -0.158 4.481 4.640 -0.001 0.000 0.243 408 D C 1.083 177.098 176.300 -0.475 0.000 1.171 408 D CA 0.084 53.902 54.000 -0.303 0.000 0.879 408 D CB 0.587 41.256 40.800 -0.217 0.000 1.143 408 D HN 0.529 nan 8.370 nan 0.000 0.511 409 W N 5.053 126.038 121.300 -0.525 0.000 2.387 409 W HA -0.159 4.501 4.660 -0.001 0.000 0.272 409 W C 1.102 177.253 176.519 -0.613 0.000 1.224 409 W CA -0.050 56.998 57.345 -0.494 0.000 1.210 409 W CB -0.665 28.604 29.460 -0.319 0.000 1.125 409 W HN 0.378 nan 8.180 nan 0.000 0.572 410 R N 0.376 120.215 120.500 -1.101 0.000 2.189 410 R HA -0.033 4.306 4.340 -0.001 0.000 0.223 410 R C 2.438 178.445 176.300 -0.489 0.000 1.092 410 R CA 1.617 57.198 56.100 -0.864 0.000 0.989 410 R CB -0.393 29.434 30.300 -0.788 0.000 0.876 410 R HN 0.247 nan 8.270 nan 0.000 0.457 411 M N -0.549 118.588 119.600 -0.772 0.000 2.117 411 M HA -0.070 4.409 4.480 -0.001 0.000 0.262 411 M C 2.359 178.433 176.300 -0.377 0.000 1.065 411 M CA 1.886 56.602 55.300 -0.974 0.000 1.114 411 M CB -0.428 31.372 32.600 -1.333 0.000 1.361 411 M HN 0.323 nan 8.290 nan 0.000 0.408 412 G N -0.181 108.259 108.800 -0.600 0.000 2.403 412 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.216 412 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.216 412 G C 1.647 176.045 174.900 -0.836 0.000 1.154 412 G CA 0.816 45.536 45.100 -0.633 0.000 0.784 412 G HN 0.517 nan 8.290 nan 0.000 0.538 413 A N 0.906 122.840 122.820 -1.477 0.000 1.902 413 A HA -0.007 4.312 4.320 -0.001 0.000 0.217 413 A C 2.142 179.534 177.584 -0.319 0.000 1.181 413 A CA 1.830 53.106 52.037 -1.267 0.000 0.623 413 A CB -0.337 18.039 19.000 -1.039 0.000 0.818 413 A HN 0.434 nan 8.150 nan 0.000 0.443 414 E N -1.469 118.725 120.200 -0.010 0.000 2.152 414 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 414 E C 1.842 178.777 176.600 0.557 0.000 0.983 414 E CA 0.665 57.248 56.400 0.304 0.000 0.818 414 E CB -0.221 29.686 29.700 0.346 0.000 0.758 414 E HN 0.884 nan 8.360 nan 0.000 0.467 415 W N 0.391 121.962 121.300 0.451 0.000 2.388 415 W HA -0.194 4.466 4.660 -0.001 0.000 0.294 415 W C 1.325 178.088 176.519 0.405 0.000 1.212 415 W CA 0.688 58.271 57.345 0.397 0.000 1.271 415 W CB -0.072 29.694 29.460 0.510 0.000 1.126 415 W HN 0.051 nan 8.180 nan 0.000 0.535 416 F N 1.386 121.432 119.950 0.160 0.000 2.134 416 F HA -0.201 4.325 4.527 -0.001 0.000 0.299 416 F C 2.507 178.229 175.800 -0.129 0.000 1.097 416 F CA 1.905 59.926 58.000 0.035 0.000 1.264 416 F CB -1.354 37.831 39.000 0.310 0.000 1.001 416 F HN 0.027 nan 8.300 nan 0.000 0.479 417 E N -0.445 119.752 120.200 -0.004 0.000 2.110 417 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 417 E C 1.958 178.299 176.600 -0.431 0.000 0.988 417 E CA 1.845 57.927 56.400 -0.529 0.000 0.804 417 E CB -0.088 29.280 29.700 -0.553 0.000 0.745 417 E HN 0.290 nan 8.360 nan 0.000 0.458 418 T N -0.384 114.026 114.554 -0.240 0.000 2.737 418 T HA -0.140 4.209 4.350 -0.001 0.000 0.265 418 T C 1.875 176.358 174.700 -0.361 0.000 1.038 418 T CA 1.346 63.286 62.100 -0.267 0.000 1.144 418 T CB -0.244 68.453 68.868 -0.285 0.000 0.866 418 T HN 0.342 nan 8.240 nan 0.000 0.434 419 C N 0.357 119.352 119.300 -0.508 0.000 2.527 419 C HA 0.399 4.858 4.460 -0.001 0.000 0.280 419 C C 1.150 175.944 174.990 -0.326 0.000 1.353 419 C CA -0.697 58.024 59.018 -0.495 0.000 1.749 419 C CB -0.774 26.535 27.740 -0.719 0.000 2.088 419 C HN 0.427 nan 8.230 nan 0.000 0.508 420 L N 2.136 123.189 121.223 -0.284 0.000 2.418 420 L HA 0.084 4.424 4.340 -0.001 0.000 0.274 420 L C 1.201 177.967 176.870 -0.173 0.000 1.135 420 L CA -0.139 54.556 54.840 -0.241 0.000 0.870 420 L CB 0.547 42.501 42.059 -0.175 0.000 1.154 420 L HN 0.380 nan 8.230 nan 0.000 0.462 421 L N 2.338 123.403 121.223 -0.262 0.000 2.043 421 L HA -0.219 4.120 4.340 -0.001 0.000 0.212 421 L C 1.561 178.264 176.870 -0.279 0.000 1.075 421 L CA 1.390 56.020 54.840 -0.349 0.000 0.752 421 L CB -0.448 41.161 42.059 -0.749 0.000 0.891 421 L HN 0.811 nan 8.230 nan 0.000 0.432 422 D N -1.900 118.328 120.400 -0.285 0.000 2.325 422 D HA -0.120 4.519 4.640 -0.001 0.000 0.234 422 D C 0.546 176.754 176.300 -0.153 0.000 1.122 422 D CA -0.525 53.344 54.000 -0.219 0.000 0.850 422 D CB -0.679 40.005 40.800 -0.193 0.000 0.921 422 D HN 0.233 nan 8.370 nan 0.000 0.513 423 Y N 1.967 122.148 120.300 -0.199 0.000 2.805 423 Y HA 0.180 4.730 4.550 -0.001 0.000 0.331 423 Y C -0.393 175.428 175.900 -0.132 0.000 1.241 423 Y CA 0.066 58.089 58.100 -0.129 0.000 1.546 423 Y CB 0.372 38.773 38.460 -0.099 0.000 1.248 423 Y HN 0.000 nan 8.280 nan 0.000 0.559 424 D N 8.647 128.468 120.400 -0.965 0.000 2.936 424 D HA 0.210 4.850 4.640 -0.001 0.000 0.238 424 D C -2.362 173.493 176.300 -0.742 0.000 1.248 424 D CA -1.931 51.599 54.000 -0.783 0.000 0.903 424 D CB 2.572 43.159 40.800 -0.355 0.000 1.544 424 D HN 0.318 nan 8.370 nan 0.000 0.543 425 P HA -0.082 nan 4.420 nan 0.000 0.217 425 P C 1.566 178.976 177.300 0.183 0.000 1.150 425 P CA 0.720 63.868 63.100 0.080 0.000 0.832 425 P CB 0.221 32.055 31.700 0.223 0.000 0.787 426 C N -0.097 119.213 119.300 0.016 0.000 2.436 426 C HA -0.064 4.396 4.460 -0.001 0.000 0.277 426 C C 3.094 178.044 174.990 -0.068 0.000 1.241 426 C CA 1.534 60.558 59.018 0.010 0.000 1.721 426 C CB -1.803 25.938 27.740 0.001 0.000 2.043 426 C HN 0.279 nan 8.230 nan 0.000 0.472 427 S N 0.829 116.460 115.700 -0.115 0.000 2.368 427 S HA -0.141 4.329 4.470 -0.001 0.000 0.224 427 S C 1.697 176.118 174.600 -0.297 0.000 1.029 427 S CA 1.551 59.604 58.200 -0.244 0.000 0.988 427 S CB -0.521 62.610 63.200 -0.114 0.000 0.838 427 S HN 0.687 nan 8.310 nan 0.000 0.462 428 N N 0.534 119.181 118.700 -0.087 0.000 2.062 428 N HA -0.071 4.668 4.740 -0.001 0.000 0.191 428 N C 1.450 177.010 175.510 0.084 0.000 1.042 428 N CA 1.590 54.681 53.050 0.068 0.000 0.845 428 N CB -0.377 38.256 38.487 0.244 0.000 1.024 428 N HN 0.410 nan 8.380 nan 0.000 0.424 429 Y N 0.022 120.440 120.300 0.196 0.000 2.373 429 Y HA 0.143 4.693 4.550 -0.001 0.000 0.293 429 Y C 2.401 178.262 175.900 -0.066 0.000 1.129 429 Y CA 1.013 59.240 58.100 0.211 0.000 1.226 429 Y CB -0.682 37.958 38.460 0.301 0.000 1.000 429 Y HN 0.161 nan 8.280 nan 0.000 0.549 430 G N 0.312 109.018 108.800 -0.156 0.000 2.459 430 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.217 430 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.217 430 G C 1.657 176.165 174.900 -0.652 0.000 1.183 430 G CA 1.216 46.019 45.100 -0.495 0.000 0.776 430 G HN 0.323 nan 8.290 nan 0.000 0.552 431 N N -0.205 117.996 118.700 -0.831 0.000 2.188 431 N HA -0.089 4.651 4.740 -0.001 0.000 0.184 431 N C 2.001 177.325 175.510 -0.310 0.000 1.018 431 N CA 0.911 53.635 53.050 -0.543 0.000 0.858 431 N CB -0.198 37.962 38.487 -0.544 0.000 0.989 431 N HN 0.534 nan 8.380 nan 0.000 0.426 432 W N 1.549 122.659 121.300 -0.317 0.000 2.379 432 W HA -0.142 4.517 4.660 -0.001 0.000 0.307 432 W C 2.756 178.920 176.519 -0.592 0.000 1.200 432 W CA 1.824 58.951 57.345 -0.364 0.000 1.297 432 W CB -0.721 28.589 29.460 -0.250 0.000 1.140 432 W HN 0.132 nan 8.180 nan 0.000 0.507 433 T N -2.954 111.349 114.554 -0.419 0.000 2.746 433 T HA -0.342 4.008 4.350 -0.001 0.000 0.267 433 T C 1.597 176.167 174.700 -0.216 0.000 1.039 433 T CA 1.464 63.236 62.100 -0.547 0.000 1.142 433 T CB -1.213 67.451 68.868 -0.339 0.000 0.866 433 T HN 0.281 nan 8.240 nan 0.000 0.444 434 Y N 2.437 122.643 120.300 -0.156 0.000 2.097 434 Y HA 0.030 4.580 4.550 -0.001 0.000 0.282 434 Y C 2.737 178.583 175.900 -0.091 0.000 1.152 434 Y CA 1.511 59.591 58.100 -0.034 0.000 1.136 434 Y CB -0.807 37.712 38.460 0.098 0.000 0.975 434 Y HN 0.280 nan 8.280 nan 0.000 0.498 435 G N -0.757 108.076 108.800 0.054 0.000 2.422 435 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.218 435 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.218 435 G C 1.577 176.417 174.900 -0.101 0.000 1.140 435 G CA 0.627 45.699 45.100 -0.047 0.000 0.775 435 G HN 0.558 nan 8.290 nan 0.000 0.545 436 A N -0.362 122.347 122.820 -0.185 0.000 2.208 436 A HA 0.466 4.785 4.320 -0.001 0.000 0.209 436 A C 1.995 179.492 177.584 -0.145 0.000 1.161 436 A CA 1.278 53.192 52.037 -0.206 0.000 0.782 436 A CB -0.392 18.329 19.000 -0.465 0.000 0.816 436 A HN 1.554 nan 8.150 nan 0.000 0.477 437 G N -1.184 107.533 108.800 -0.138 0.000 2.136 437 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.242 437 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.242 437 G C 0.646 175.510 174.900 -0.061 0.000 0.989 437 G CA 0.764 45.815 45.100 -0.082 0.000 0.682 437 G HN 1.656 nan 8.290 nan 0.000 0.522 438 V N -1.477 118.362 119.914 -0.125 0.000 3.043 438 V HA 0.404 4.523 4.120 -0.001 0.000 0.357 438 V C 0.838 176.894 176.094 -0.062 0.000 1.372 438 V CA -0.252 62.007 62.300 -0.069 0.000 1.214 438 V CB -0.561 31.220 31.823 -0.071 0.000 1.224 438 V HN 0.542 nan 8.190 nan 0.000 0.507 439 N N 0.537 119.203 118.700 -0.055 0.000 2.366 439 N HA 0.148 4.888 4.740 -0.001 0.000 0.277 439 N C 0.213 175.745 175.510 0.037 0.000 1.275 439 N CA 0.249 53.309 53.050 0.017 0.000 0.964 439 N CB 0.743 39.276 38.487 0.077 0.000 1.167 439 N HN 0.184 nan 8.380 nan 0.000 0.568 440 D N -0.366 120.083 120.400 0.082 0.000 2.117 440 D HA 0.028 4.667 4.640 -0.001 0.000 0.198 440 D C -1.420 174.915 176.300 0.059 0.000 0.982 440 D CA 1.137 55.176 54.000 0.065 0.000 0.828 440 D CB -1.024 39.823 40.800 0.079 0.000 0.967 440 D HN 0.567 nan 8.370 nan 0.000 0.464 447 Y N 0.245 120.586 120.300 0.069 0.000 2.304 447 Y HA 0.745 5.295 4.550 -0.001 0.000 0.328 447 Y C -0.525 175.445 175.900 0.116 0.000 1.123 447 Y CA -1.252 56.943 58.100 0.159 0.000 1.218 447 Y CB 0.857 39.406 38.460 0.149 0.000 1.207 447 Y HN 0.287 nan 8.280 nan 0.000 0.495 448 F N 3.973 123.628 119.950 -0.492 0.000 2.405 448 F HA 0.234 4.761 4.527 -0.001 0.000 0.355 448 F C 0.476 176.030 175.800 -0.410 0.000 1.121 448 F CA -0.443 57.371 58.000 -0.309 0.000 1.112 448 F CB 1.371 40.244 39.000 -0.211 0.000 1.126 448 F HN 0.413 nan 8.300 nan 0.000 0.481 449 S N 4.307 120.045 115.700 0.064 0.000 2.430 449 S HA 0.174 4.643 4.470 -0.001 0.000 0.282 449 S C 1.448 176.137 174.600 0.148 0.000 1.186 449 S CA -0.568 57.749 58.200 0.196 0.000 1.060 449 S CB -0.130 63.206 63.200 0.227 0.000 0.966 449 S HN 0.505 nan 8.310 nan 0.000 0.501 450 I N 7.931 128.583 120.570 0.137 0.000 2.127 450 I HA -0.024 4.145 4.170 -0.001 0.000 0.241 450 I C -0.801 175.351 176.117 0.059 0.000 1.075 450 I CA 1.119 62.471 61.300 0.087 0.000 1.334 450 I CB -1.356 36.668 38.000 0.040 0.000 1.040 450 I HN 0.535 nan 8.210 nan 0.000 0.405 451 P HA -0.219 nan 4.420 nan 0.000 0.216 451 P C 1.745 179.001 177.300 -0.073 0.000 1.153 451 P CA 1.616 64.712 63.100 -0.006 0.000 0.858 451 P CB -0.058 31.885 31.700 0.404 0.000 0.789 452 K N -0.376 120.043 120.400 0.033 0.000 2.026 452 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 452 K C 2.195 178.770 176.600 -0.042 0.000 1.048 452 K CA 1.261 57.542 56.287 -0.011 0.000 0.929 452 K CB -0.262 32.258 32.500 0.032 0.000 0.713 452 K HN -0.021 nan 8.250 nan 0.000 0.439 453 Q N 0.091 119.924 119.800 0.054 0.000 2.084 453 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 453 Q C 2.137 178.183 176.000 0.077 0.000 0.978 453 Q CA 1.578 57.481 55.803 0.166 0.000 0.844 453 Q CB -0.392 28.482 28.738 0.228 0.000 0.898 453 Q HN 0.431 nan 8.270 nan 0.000 0.426 454 A N 0.794 123.601 122.820 -0.022 0.000 1.902 454 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 454 A C 2.142 179.657 177.584 -0.116 0.000 1.181 454 A CA 1.888 53.900 52.037 -0.041 0.000 0.623 454 A CB -0.417 18.518 19.000 -0.108 0.000 0.818 454 A HN 0.291 nan 8.150 nan 0.000 0.443 455 Q N 0.341 119.952 119.800 -0.316 0.000 2.096 455 Q HA -0.038 4.302 4.340 -0.001 0.000 0.197 455 Q C 1.702 177.563 176.000 -0.231 0.000 0.964 455 Q CA 2.132 57.714 55.803 -0.368 0.000 0.838 455 Q CB -0.521 27.998 28.738 -0.365 0.000 0.906 455 Q HN 0.804 nan 8.270 nan 0.000 0.444 456 N N -1.613 116.900 118.700 -0.311 0.000 2.250 456 N HA -0.086 4.654 4.740 -0.001 0.000 0.181 456 N C 0.346 175.453 175.510 -0.671 0.000 1.017 456 N CA 0.877 53.594 53.050 -0.555 0.000 0.866 456 N CB 0.144 38.140 38.487 -0.819 0.000 0.985 456 N HN 0.264 nan 8.380 nan 0.000 0.429 457 Y N -0.788 119.477 120.300 -0.059 0.000 2.500 457 Y HA 0.261 4.810 4.550 -0.001 0.000 0.246 457 Y C -0.164 175.693 175.900 -0.073 0.000 1.146 457 Y CA -0.307 57.743 58.100 -0.084 0.000 1.230 457 Y CB 0.708 39.099 38.460 -0.115 0.000 1.214 457 Y HN -0.135 nan 8.280 nan 0.000 0.526 458 D N -0.255 120.191 120.400 0.076 0.000 3.060 458 D HA 0.178 4.818 4.640 -0.001 0.000 0.326 458 D C -2.151 174.239 176.300 0.149 0.000 1.253 458 D CA -1.815 52.248 54.000 0.106 0.000 0.737 458 D CB 0.724 41.611 40.800 0.145 0.000 1.260 458 D HN -0.096 nan 8.370 nan 0.000 0.542 459 P HA -0.147 nan 4.420 nan 0.000 0.216 459 P C 0.741 178.126 177.300 0.143 0.000 1.153 459 P CA 1.192 64.365 63.100 0.121 0.000 0.858 459 P CB 0.443 32.159 31.700 0.026 0.000 0.789 460 E N -1.344 118.882 120.200 0.044 0.000 2.489 460 E HA 0.157 4.507 4.350 -0.001 0.000 0.193 460 E C 1.498 178.042 176.600 -0.093 0.000 1.057 460 E CA 0.563 56.955 56.400 -0.013 0.000 0.866 460 E CB -0.796 28.903 29.700 -0.002 0.000 0.916 460 E HN 0.321 nan 8.360 nan 0.000 0.500 461 G N 2.216 110.939 108.800 -0.127 0.000 2.168 461 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.257 461 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.257 461 G C 0.857 175.731 174.900 -0.044 0.000 0.997 461 G CA 0.877 45.873 45.100 -0.173 0.000 0.708 461 G HN 0.431 nan 8.290 nan 0.000 0.520 462 E N -1.272 118.939 120.200 0.019 0.000 2.152 462 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 462 E C 1.875 178.543 176.600 0.112 0.000 0.983 462 E CA 1.173 57.601 56.400 0.047 0.000 0.818 462 E CB -0.122 29.604 29.700 0.043 0.000 0.758 462 E HN 0.734 nan 8.360 nan 0.000 0.467 463 Y N 0.731 121.059 120.300 0.048 0.000 2.133 463 Y HA -0.189 4.360 4.550 -0.001 0.000 0.287 463 Y C 2.102 178.132 175.900 0.216 0.000 1.134 463 Y CA 1.824 60.004 58.100 0.134 0.000 1.133 463 Y CB -0.485 38.043 38.460 0.113 0.000 0.987 463 Y HN 0.049 nan 8.280 nan 0.000 0.502 464 V N -0.677 119.274 119.914 0.061 0.000 2.427 464 V HA -0.132 3.988 4.120 -0.001 0.000 0.248 464 V C 2.356 178.404 176.094 -0.078 0.000 1.051 464 V CA 1.701 63.969 62.300 -0.053 0.000 1.048 464 V CB -1.910 29.893 31.823 -0.034 0.000 0.666 464 V HN 0.431 nan 8.190 nan 0.000 0.456 465 A N 0.061 122.846 122.820 -0.059 0.000 1.933 465 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 465 A C 2.103 179.627 177.584 -0.099 0.000 1.175 465 A CA 1.826 53.819 52.037 -0.074 0.000 0.628 465 A CB -0.868 18.098 19.000 -0.056 0.000 0.814 465 A HN 0.672 nan 8.150 nan 0.000 0.444 466 F N -1.217 118.579 119.950 -0.257 0.000 2.134 466 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 466 F C 1.889 177.359 175.800 -0.550 0.000 1.097 466 F CA 1.830 59.573 58.000 -0.428 0.000 1.264 466 F CB -0.189 38.519 39.000 -0.487 0.000 1.001 466 F HN 0.390 nan 8.300 nan 0.000 0.479 467 W N 0.257 121.406 121.300 -0.253 0.000 2.640 467 W HA 0.223 4.883 4.660 -0.001 0.000 0.268 467 W C -0.028 176.350 176.519 -0.236 0.000 1.263 467 W CA 0.004 57.169 57.345 -0.300 0.000 1.344 467 W CB 0.071 29.366 29.460 -0.275 0.000 1.093 467 W HN -0.276 nan 8.180 nan 0.000 0.603 468 L N 2.067 123.289 121.223 -0.001 0.000 2.297 468 L HA 0.217 4.556 4.340 -0.001 0.000 0.277 468 L C 1.188 178.026 176.870 -0.053 0.000 1.040 468 L CA -0.548 54.292 54.840 0.001 0.000 0.867 468 L CB 1.065 43.119 42.059 -0.008 0.000 1.244 468 L HN -0.011 nan 8.230 nan 0.000 0.433 469 Q N 2.119 121.881 119.800 -0.063 0.000 2.170 469 Q HA -0.196 4.143 4.340 -0.001 0.000 0.203 469 Q C 1.807 177.777 176.000 -0.050 0.000 0.976 469 Q CA 1.257 57.003 55.803 -0.095 0.000 0.858 469 Q CB -0.013 28.667 28.738 -0.098 0.000 0.907 469 Q HN 0.760 nan 8.270 nan 0.000 0.433 470 Q N 0.525 120.325 119.800 0.000 0.000 2.369 470 Q HA -0.058 4.282 4.340 -0.001 0.000 0.206 470 Q C 1.753 177.760 176.000 0.012 0.000 0.963 470 Q CA 0.845 56.663 55.803 0.026 0.000 0.894 470 Q CB -0.215 28.574 28.738 0.086 0.000 0.965 470 Q HN 0.416 nan 8.270 nan 0.000 0.475 471 L N 0.022 121.228 121.223 -0.027 0.000 2.477 471 L HA 0.163 4.502 4.340 -0.001 0.000 0.220 471 L C 2.658 179.490 176.870 -0.065 0.000 1.106 471 L CA 0.110 54.910 54.840 -0.066 0.000 0.851 471 L CB -0.253 41.724 42.059 -0.138 0.000 0.994 471 L HN 0.127 nan 8.230 nan 0.000 0.462 472 R N 1.416 121.878 120.500 -0.063 0.000 2.117 472 R HA -0.201 4.138 4.340 -0.001 0.000 0.243 472 R C 2.494 178.767 176.300 -0.045 0.000 1.143 472 R CA 1.786 57.848 56.100 -0.063 0.000 0.968 472 R CB -0.097 30.156 30.300 -0.077 0.000 0.863 472 R HN 0.404 nan 8.270 nan 0.000 0.444 473 R N 0.232 120.711 120.500 -0.034 0.000 2.235 473 R HA -0.001 4.339 4.340 -0.001 0.000 0.213 473 R C 0.305 176.594 176.300 -0.020 0.000 1.059 473 R CA 0.484 56.571 56.100 -0.022 0.000 0.997 473 R CB -0.348 29.943 30.300 -0.014 0.000 0.884 473 R HN 0.147 nan 8.270 nan 0.000 0.462 474 L N 2.916 124.123 121.223 -0.027 0.000 2.418 474 L HA 0.379 4.718 4.340 -0.001 0.000 0.265 474 L C -1.952 174.898 176.870 -0.032 0.000 1.143 474 L CA -2.582 52.244 54.840 -0.023 0.000 0.809 474 L CB 0.641 42.684 42.059 -0.027 0.000 1.124 474 L HN -0.006 nan 8.230 nan 0.000 0.456 475 P HA 0.105 nan 4.420 nan 0.000 0.277 475 P C -0.171 177.103 177.300 -0.044 0.000 1.240 475 P CA -0.711 62.377 63.100 -0.021 0.000 0.798 475 P CB 0.733 32.434 31.700 0.002 0.000 0.979 476 K N 1.271 121.634 120.400 -0.062 0.000 2.173 476 K HA -0.252 4.067 4.320 -0.001 0.000 0.207 476 K C 1.118 177.655 176.600 -0.106 0.000 1.046 476 K CA 1.824 58.026 56.287 -0.142 0.000 0.929 476 K CB -0.487 31.963 32.500 -0.084 0.000 0.720 476 K HN 0.198 nan 8.250 nan 0.000 0.453 477 E N 1.243 121.463 120.200 0.034 0.000 2.051 477 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 477 E C 1.635 178.317 176.600 0.137 0.000 0.991 477 E CA 1.573 58.054 56.400 0.135 0.000 0.799 477 E CB 0.033 29.805 29.700 0.121 0.000 0.748 477 E HN 0.393 nan 8.360 nan 0.000 0.449 478 K N -0.160 120.278 120.400 0.064 0.000 2.379 478 K HA 0.157 4.477 4.320 -0.001 0.000 0.194 478 K C 1.810 178.404 176.600 -0.012 0.000 1.031 478 K CA -0.016 56.312 56.287 0.069 0.000 1.037 478 K CB 0.309 32.842 32.500 0.055 0.000 0.824 478 K HN -0.036 nan 8.250 nan 0.000 0.516 479 R N -0.021 120.411 120.500 -0.113 0.000 2.115 479 R HA -0.066 4.274 4.340 -0.001 0.000 0.230 479 R C 1.666 177.810 176.300 -0.260 0.000 1.111 479 R CA 0.988 56.958 56.100 -0.216 0.000 0.976 479 R CB -0.184 29.947 30.300 -0.282 0.000 0.870 479 R HN 0.322 nan 8.270 nan 0.000 0.445 480 H N -1.284 117.705 119.070 -0.135 0.000 2.343 480 H HA -0.025 4.530 4.556 -0.001 0.000 0.303 480 H C 0.297 175.382 175.328 -0.406 0.000 1.068 480 H CA 0.816 56.667 56.048 -0.329 0.000 1.359 480 H CB 0.239 29.758 29.762 -0.406 0.000 1.402 480 H HN 0.147 nan 8.280 nan 0.000 0.515 481 W N 1.562 122.949 121.300 0.146 0.000 2.423 481 W HA 0.230 4.890 4.660 -0.001 0.000 0.286 481 W C -2.099 174.454 176.519 0.057 0.000 1.001 481 W CA -2.276 55.130 57.345 0.102 0.000 1.643 481 W CB 1.105 30.633 29.460 0.113 0.000 1.593 481 W HN 0.145 nan 8.180 nan 0.000 0.403 482 P HA 0.175 nan 4.420 nan 0.000 0.213 482 P C 0.690 178.080 177.300 0.151 0.000 1.176 482 P CA 1.513 64.694 63.100 0.136 0.000 0.894 482 P CB 0.943 32.684 31.700 0.069 0.000 0.771 483 G N -1.402 107.498 108.800 0.166 0.000 2.423 483 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.684 483 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.684 483 G C 0.378 175.346 174.900 0.114 0.000 1.309 483 G CA -0.084 45.090 45.100 0.123 0.000 0.950 483 G HN 0.286 nan 8.290 nan 0.000 0.587 484 R N -0.647 119.892 120.500 0.065 0.000 2.070 484 R HA 0.009 4.348 4.340 -0.001 0.000 0.233 484 R C 2.480 178.799 176.300 0.031 0.000 1.137 484 R CA 1.782 57.901 56.100 0.033 0.000 0.945 484 R CB -0.311 29.997 30.300 0.014 0.000 0.845 484 R HN 0.478 nan 8.270 nan 0.000 0.430 485 L N 0.812 122.057 121.223 0.037 0.000 2.046 485 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 485 L C 2.115 179.012 176.870 0.045 0.000 1.077 485 L CA 1.835 56.693 54.840 0.030 0.000 0.747 485 L CB -0.598 41.477 42.059 0.027 0.000 0.896 485 L HN 0.416 nan 8.230 nan 0.000 0.432 486 M N -3.101 116.542 119.600 0.073 0.000 2.388 486 M HA -0.143 4.336 4.480 -0.001 0.000 0.265 486 M C 1.494 177.895 176.300 0.167 0.000 1.088 486 M CA 1.130 56.486 55.300 0.093 0.000 1.134 486 M CB 0.032 32.683 32.600 0.085 0.000 1.384 486 M HN 0.238 nan 8.290 nan 0.000 0.447 487 Y N 0.239 120.539 120.300 -0.000 0.000 2.977 487 Y HA 0.451 5.000 4.550 -0.001 0.000 0.130 487 Y C -0.321 175.570 175.900 -0.015 0.000 0.885 487 Y CA -0.491 57.604 58.100 -0.009 0.000 1.879 487 Y CB 0.649 39.105 38.460 -0.007 0.000 1.258 487 Y HN 0.035 nan 8.280 nan 0.000 0.284 488 M N -0.558 118.917 119.600 -0.208 0.000 2.956 488 M HA 0.350 4.829 4.480 -0.001 0.000 0.272 488 M C -2.016 174.210 176.300 -0.122 0.000 1.132 488 M CA -0.923 54.221 55.300 -0.260 0.000 0.805 488 M CB 1.943 34.256 32.600 -0.479 0.000 1.639 488 M HN 0.069 nan 8.290 nan 0.000 0.520 489 D N 2.694 123.038 120.400 -0.094 0.000 2.368 489 D HA 0.281 4.921 4.640 -0.001 0.000 0.240 489 D C -0.139 176.120 176.300 -0.069 0.000 1.169 489 D CA 0.646 54.614 54.000 -0.053 0.000 0.906 489 D CB 1.533 42.315 40.800 -0.030 0.000 1.187 489 D HN 0.710 nan 8.370 nan 0.000 0.435 490 T N -2.077 112.437 114.554 -0.067 0.000 2.817 490 T HA 0.256 4.606 4.350 -0.001 0.000 0.293 490 T C 1.465 176.206 174.700 0.069 0.000 0.964 490 T CA -0.942 61.107 62.100 -0.085 0.000 1.085 490 T CB 1.246 69.991 68.868 -0.204 0.000 0.921 490 T HN 0.192 nan 8.240 nan 0.000 0.502 491 V N 1.390 121.398 119.914 0.156 0.000 2.719 491 V HA 0.215 4.335 4.120 -0.001 0.000 0.252 491 V C 0.799 177.006 176.094 0.188 0.000 1.065 491 V CA 0.911 63.310 62.300 0.164 0.000 1.086 491 V CB -1.297 30.637 31.823 0.185 0.000 0.700 491 V HN 0.951 nan 8.190 nan 0.000 0.467 492 V N -4.320 115.766 119.914 0.287 0.000 3.147 492 V HA 0.749 4.868 4.120 -0.001 0.000 0.306 492 V C -3.010 173.280 176.094 0.326 0.000 1.209 492 V CA -2.094 60.344 62.300 0.229 0.000 1.023 492 V CB 1.641 33.548 31.823 0.140 0.000 1.059 492 V HN 0.134 nan 8.190 nan 0.000 0.435 493 P HA 0.446 nan 4.420 nan 0.000 0.276 493 P C -0.583 176.836 177.300 0.198 0.000 1.244 493 P CA -0.486 62.761 63.100 0.245 0.000 0.801 493 P CB 0.991 32.770 31.700 0.132 0.000 1.006 494 L N 0.873 122.230 121.223 0.223 0.000 2.380 494 L HA 0.199 4.539 4.340 -0.001 0.000 0.273 494 L C 2.170 179.074 176.870 0.057 0.000 1.138 494 L CA -0.141 54.791 54.840 0.153 0.000 0.832 494 L CB 0.034 42.227 42.059 0.223 0.000 1.124 494 L HN 0.494 nan 8.230 nan 0.000 0.454 495 K N 2.596 122.988 120.400 -0.014 0.000 2.097 495 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 495 K C 0.587 176.761 176.600 -0.710 0.000 1.049 495 K CA 1.493 57.551 56.287 -0.382 0.000 0.933 495 K CB -0.644 31.552 32.500 -0.506 0.000 0.717 495 K HN 0.841 nan 8.250 nan 0.000 0.442 496 H N 0.000 119.017 119.070 -0.088 0.000 2.539 496 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 496 H CA 0.000 56.018 56.048 -0.050 0.000 1.023 496 H CB 0.000 29.622 29.762 -0.233 0.000 1.292 496 H HN 0.000 nan 8.280 nan 0.000 0.496