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 2nuu_1_E DATA FIRST_RESID -2 DATA SEQUENCE HHHHHAVADK ADNAFMMICT ALVLFMTIPG IALFYGGLIR GKNVLSMLTQ DATA SEQUENCE VTVTFALVCI LWVVYGYSLA FGEGNNFFGN INWLMLKNIE LTAVMGSIYQ DATA SEQUENCE YIHVAFQGSF ACITVGLIVG ALAERIRFSA VLIFVVVWLT LSYIPIAHMV DATA SEQUENCE WGGGLLASHG ALDFAGGTVV HINAAIAGLV GAYLIGKRVG FGKEAFKPHN DATA SEQUENCE LPMVFTGTAI LYIGWFGFNA GSAGTANEIA ALAFVNTVVA TAAAILGWIF DATA SEQUENCE GEWALRGKPS LLGACSGAIA GLVGVTPACG YIGVGGALII GVVAGLAGLW DATA SEQUENCE GVTMLKRLLR VDDPCDVFGV HGVCGIVGCI MTGIFAASSL GGVGFAEGVT DATA SEQUENCE MGHQLLVQLE SIAITIVWSG VVAFIGYKLA DLTVGLRVPE EQEREGLDVN DATA SEQUENCE SHGENAYNA 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 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.366 175.328 0.063 0.000 0.993 -2 H CA 0.000 56.063 56.048 0.024 0.000 1.023 -2 H CB 0.000 29.805 29.762 0.071 0.000 1.292 -1 H N 1.223 120.405 119.070 0.187 0.000 2.457 -1 H HA -0.112 4.444 4.556 -0.000 0.000 0.297 -1 H C 1.379 176.801 175.328 0.157 0.000 1.092 -1 H CA 1.825 57.945 56.048 0.120 0.000 1.309 -1 H CB -0.463 29.394 29.762 0.158 0.000 1.382 -1 H HN 0.802 nan 8.280 nan 0.000 0.535 0 H N -1.497 117.258 119.070 -0.526 0.000 2.551 0 H HA 0.093 4.649 4.556 -0.000 0.000 0.266 0 H C 0.668 175.993 175.328 -0.006 0.000 0.977 0 H CA 0.011 55.900 56.048 -0.265 0.000 1.163 0 H CB -0.554 29.016 29.762 -0.321 0.000 1.381 0 H HN 0.399 nan 8.280 nan 0.000 0.581 1 H N 2.290 121.135 119.070 -0.374 0.000 2.897 1 H HA 0.069 4.625 4.556 -0.000 0.000 0.347 1 H C 0.251 175.537 175.328 -0.070 0.000 1.068 1 H CA 0.303 56.182 56.048 -0.282 0.000 1.426 1 H CB 0.354 29.909 29.762 -0.346 0.000 1.410 1 H HN 0.567 nan 8.280 nan 0.000 0.597 2 H N 1.854 120.479 119.070 -0.741 0.000 2.977 2 H HA 0.659 5.215 4.556 -0.000 0.000 0.350 2 H C -1.189 173.799 175.328 -0.567 0.000 1.238 2 H CA -0.840 54.944 56.048 -0.441 0.000 1.124 2 H CB 0.693 30.327 29.762 -0.214 0.000 1.866 2 H HN 0.709 nan 8.280 nan 0.000 0.550 3 A N 0.848 123.530 122.820 -0.230 0.000 2.246 3 A HA 0.567 4.887 4.320 -0.000 0.000 0.291 3 A C -0.408 177.111 177.584 -0.109 0.000 1.103 3 A CA -0.577 51.343 52.037 -0.196 0.000 0.844 3 A CB 0.869 19.825 19.000 -0.074 0.000 1.136 3 A HN 0.378 nan 8.150 nan 0.000 0.500 4 V N 0.335 120.178 119.914 -0.119 0.000 2.604 4 V HA 0.578 4.698 4.120 -0.000 0.000 0.305 4 V C 0.630 176.631 176.094 -0.155 0.000 1.043 4 V CA -0.345 61.904 62.300 -0.086 0.000 0.888 4 V CB 1.433 33.204 31.823 -0.087 0.000 0.995 4 V HN 1.228 nan 8.190 nan 0.000 0.429 5 A N 3.113 125.763 122.820 -0.283 0.000 2.462 5 A HA 0.337 4.656 4.320 -0.000 0.000 0.243 5 A C 0.029 177.445 177.584 -0.280 0.000 1.076 5 A CA -0.043 51.726 52.037 -0.446 0.000 0.773 5 A CB 0.138 18.465 19.000 -1.122 0.000 1.010 5 A HN 0.824 nan 8.150 nan 0.000 0.493 6 D N 1.770 122.043 120.400 -0.212 0.000 2.274 6 D HA 0.191 4.831 4.640 -0.000 0.000 0.239 6 D C 0.821 177.050 176.300 -0.119 0.000 1.104 6 D CA -0.254 53.667 54.000 -0.133 0.000 0.840 6 D CB 0.945 41.684 40.800 -0.102 0.000 1.100 6 D HN 0.542 nan 8.370 nan 0.000 0.477 7 K N 2.372 122.722 120.400 -0.082 0.000 2.063 7 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 7 K C 1.868 178.458 176.600 -0.018 0.000 1.048 7 K CA 1.449 57.712 56.287 -0.040 0.000 0.928 7 K CB 0.019 32.511 32.500 -0.013 0.000 0.713 7 K HN 0.475 nan 8.250 nan 0.000 0.442 8 A N 2.124 124.929 122.820 -0.025 0.000 1.892 8 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 8 A C 1.664 179.259 177.584 0.019 0.000 1.188 8 A CA 2.152 54.182 52.037 -0.013 0.000 0.631 8 A CB -0.507 18.465 19.000 -0.046 0.000 0.822 8 A HN 0.217 nan 8.150 nan 0.000 0.447 9 D N -0.159 120.236 120.400 -0.009 0.000 2.178 9 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 9 D C 1.633 177.962 176.300 0.050 0.000 0.974 9 D CA 1.004 55.020 54.000 0.028 0.000 0.841 9 D CB -0.404 40.374 40.800 -0.037 0.000 0.953 9 D HN 0.374 nan 8.370 nan 0.000 0.478 10 N N 1.051 119.752 118.700 0.001 0.000 2.058 10 N HA -0.102 4.638 4.740 -0.000 0.000 0.191 10 N C 1.828 177.366 175.510 0.047 0.000 1.037 10 N CA 1.362 54.421 53.050 0.014 0.000 0.848 10 N CB -0.471 38.025 38.487 0.015 0.000 1.021 10 N HN 0.112 nan 8.380 nan 0.000 0.422 11 A N 0.709 123.565 122.820 0.061 0.000 1.883 11 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 11 A C 2.171 179.811 177.584 0.093 0.000 1.186 11 A CA 1.232 53.310 52.037 0.069 0.000 0.624 11 A CB -1.103 17.937 19.000 0.068 0.000 0.822 11 A HN 0.299 nan 8.150 nan 0.000 0.444 12 F N -0.025 119.910 119.950 -0.025 0.000 2.126 12 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 12 F C 2.180 177.959 175.800 -0.036 0.000 1.096 12 F CA 1.926 59.913 58.000 -0.023 0.000 1.255 12 F CB -0.133 38.846 39.000 -0.035 0.000 0.997 12 F HN 0.100 nan 8.300 nan 0.000 0.479 13 M N -0.746 118.798 119.600 -0.094 0.000 2.419 13 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 13 M C 2.109 178.337 176.300 -0.120 0.000 1.082 13 M CA 1.197 56.358 55.300 -0.231 0.000 1.119 13 M CB -1.073 31.416 32.600 -0.184 0.000 1.398 13 M HN 0.294 nan 8.290 nan 0.000 0.453 14 M N -0.409 119.165 119.600 -0.044 0.000 2.160 14 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 14 M C 1.918 178.210 176.300 -0.014 0.000 1.073 14 M CA 1.052 56.354 55.300 0.004 0.000 1.142 14 M CB -0.193 32.422 32.600 0.026 0.000 1.358 14 M HN 0.088 nan 8.290 nan 0.000 0.422 15 I N 0.093 120.631 120.570 -0.052 0.000 2.226 15 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 15 I C 2.506 178.580 176.117 -0.071 0.000 1.100 15 I CA 1.334 62.599 61.300 -0.058 0.000 1.374 15 I CB -1.660 36.312 38.000 -0.046 0.000 1.057 15 I HN 0.403 nan 8.210 nan 0.000 0.413 16 C N 0.614 119.811 119.300 -0.171 0.000 2.425 16 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 16 C C 2.988 178.062 174.990 0.138 0.000 1.280 16 C CA 1.351 60.315 59.018 -0.089 0.000 1.744 16 C CB -1.198 26.360 27.740 -0.305 0.000 1.989 16 C HN 0.529 nan 8.230 nan 0.000 0.491 17 T N 1.122 115.783 114.554 0.178 0.000 2.746 17 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 17 T C 2.120 176.880 174.700 0.101 0.000 1.039 17 T CA 1.603 63.837 62.100 0.222 0.000 1.142 17 T CB -0.360 68.633 68.868 0.209 0.000 0.866 17 T HN 0.650 nan 8.240 nan 0.000 0.444 18 A N 1.183 124.041 122.820 0.063 0.000 1.902 18 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 18 A C 2.296 179.914 177.584 0.057 0.000 1.181 18 A CA 1.118 53.178 52.037 0.037 0.000 0.623 18 A CB -0.834 18.159 19.000 -0.012 0.000 0.818 18 A HN 0.461 nan 8.150 nan 0.000 0.443 19 L N -0.453 120.809 121.223 0.065 0.000 2.083 19 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 19 L C 2.479 179.429 176.870 0.133 0.000 1.083 19 L CA 1.060 55.981 54.840 0.134 0.000 0.752 19 L CB -0.425 41.710 42.059 0.126 0.000 0.899 19 L HN 0.261 nan 8.230 nan 0.000 0.433 20 V N -0.173 119.775 119.914 0.056 0.000 2.427 20 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 20 V C 2.265 178.329 176.094 -0.050 0.000 1.051 20 V CA 1.371 63.634 62.300 -0.062 0.000 1.048 20 V CB -0.337 31.372 31.823 -0.191 0.000 0.666 20 V HN 0.358 nan 8.190 nan 0.000 0.456 21 L N -1.420 119.827 121.223 0.039 0.000 2.217 21 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 21 L C 2.343 179.249 176.870 0.061 0.000 1.107 21 L CA 1.143 56.033 54.840 0.084 0.000 0.783 21 L CB -0.558 41.593 42.059 0.154 0.000 0.919 21 L HN 0.299 nan 8.230 nan 0.000 0.442 22 F N 0.824 120.720 119.950 -0.090 0.000 2.171 22 F HA -0.206 4.321 4.527 0.000 0.000 0.300 22 F C 2.361 178.081 175.800 -0.134 0.000 1.090 22 F CA 1.355 59.295 58.000 -0.100 0.000 1.293 22 F CB -0.282 38.682 39.000 -0.060 0.000 1.013 22 F HN -0.006 nan 8.300 nan 0.000 0.486 23 M N -0.917 118.588 119.600 -0.158 0.000 2.213 23 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 23 M C 1.774 177.888 176.300 -0.309 0.000 1.062 23 M CA 2.200 57.315 55.300 -0.310 0.000 1.105 23 M CB -0.551 31.826 32.600 -0.372 0.000 1.385 23 M HN 0.045 nan 8.290 nan 0.000 0.417 24 T N -0.279 114.130 114.554 -0.241 0.000 2.953 24 T HA 0.176 4.526 4.350 -0.000 0.000 0.247 24 T C 0.779 175.312 174.700 -0.277 0.000 1.029 24 T CA 0.495 62.461 62.100 -0.222 0.000 1.144 24 T CB 0.397 69.193 68.868 -0.120 0.000 0.870 24 T HN 0.023 nan 8.240 nan 0.000 0.446 25 I N 3.543 123.917 120.570 -0.326 0.000 2.388 25 I HA 0.285 4.455 4.170 -0.000 0.000 0.281 25 I C -2.088 173.936 176.117 -0.155 0.000 1.046 25 I CA -2.781 58.325 61.300 -0.324 0.000 1.187 25 I CB 1.109 38.773 38.000 -0.559 0.000 1.351 25 I HN 0.060 nan 8.210 nan 0.000 0.472 26 P HA 0.169 nan 4.420 nan 0.000 0.282 26 P C 1.317 178.475 177.300 -0.236 0.000 1.327 26 P CA 0.179 63.163 63.100 -0.194 0.000 0.949 26 P CB 0.995 32.625 31.700 -0.117 0.000 1.445 27 G N 2.273 110.854 108.800 -0.365 0.000 2.855 27 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.227 27 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.227 27 G C 1.338 176.099 174.900 -0.233 0.000 1.245 27 G CA 1.458 46.349 45.100 -0.347 0.000 0.781 27 G HN 0.286 nan 8.290 nan 0.000 0.666 28 I N 1.838 122.249 120.570 -0.265 0.000 2.361 28 I HA -0.028 4.142 4.170 -0.000 0.000 0.251 28 I C 3.057 179.051 176.117 -0.204 0.000 1.133 28 I CA 1.537 62.651 61.300 -0.310 0.000 1.413 28 I CB -0.418 37.360 38.000 -0.371 0.000 1.073 28 I HN 0.276 nan 8.210 nan 0.000 0.424 29 A N 0.028 122.785 122.820 -0.106 0.000 1.902 29 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 29 A C 2.290 179.897 177.584 0.037 0.000 1.181 29 A CA 1.773 53.807 52.037 -0.004 0.000 0.623 29 A CB -0.872 18.108 19.000 -0.034 0.000 0.818 29 A HN 0.473 nan 8.150 nan 0.000 0.443 30 L N -2.398 118.827 121.223 0.003 0.000 2.072 30 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 30 L C 2.473 179.384 176.870 0.070 0.000 1.079 30 L CA 1.338 56.199 54.840 0.035 0.000 0.752 30 L CB -0.580 41.479 42.059 -0.001 0.000 0.906 30 L HN 0.469 nan 8.230 nan 0.000 0.436 31 F N 0.085 119.972 119.950 -0.105 0.000 2.095 31 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 31 F C 2.378 178.216 175.800 0.064 0.000 1.104 31 F CA 1.746 59.689 58.000 -0.095 0.000 1.232 31 F CB -0.267 38.595 39.000 -0.231 0.000 0.987 31 F HN -0.013 nan 8.300 nan 0.000 0.475 32 Y N 0.172 120.507 120.300 0.059 0.000 2.337 32 Y HA 0.134 4.684 4.550 -0.000 0.000 0.293 32 Y C 2.651 178.550 175.900 -0.001 0.000 1.123 32 Y CA 0.488 58.584 58.100 -0.006 0.000 1.201 32 Y CB -1.480 37.028 38.460 0.079 0.000 1.011 32 Y HN 0.102 nan 8.280 nan 0.000 0.545 33 G N -0.413 108.506 108.800 0.198 0.000 2.418 33 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 33 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 33 G C 2.034 177.080 174.900 0.242 0.000 1.158 33 G CA 0.953 46.165 45.100 0.186 0.000 0.771 33 G HN 0.499 nan 8.290 nan 0.000 0.545 34 G N 0.373 109.237 108.800 0.105 0.000 2.511 34 G HA2 0.013 3.973 3.960 -0.000 0.000 0.217 34 G HA3 0.013 3.973 3.960 -0.000 0.000 0.217 34 G C 1.711 176.599 174.900 -0.020 0.000 1.133 34 G CA 0.259 45.340 45.100 -0.031 0.000 0.792 34 G HN 0.420 nan 8.290 nan 0.000 0.539 35 L N 0.626 121.834 121.223 -0.024 0.000 2.240 35 L HA 0.227 4.567 4.340 -0.000 0.000 0.211 35 L C 1.687 178.597 176.870 0.067 0.000 1.106 35 L CA 0.121 54.940 54.840 -0.036 0.000 0.793 35 L CB -0.326 41.664 42.059 -0.115 0.000 0.927 35 L HN 0.351 nan 8.230 nan 0.000 0.446 36 I N -2.470 118.179 120.570 0.131 0.000 3.210 36 I HA 0.311 4.481 4.170 -0.000 0.000 0.316 36 I C 0.300 176.543 176.117 0.211 0.000 1.067 36 I CA -1.010 60.377 61.300 0.144 0.000 1.047 36 I CB 0.704 38.760 38.000 0.092 0.000 1.352 36 I HN -0.114 nan 8.210 nan 0.000 0.565 37 R N 0.875 121.459 120.500 0.140 0.000 2.582 37 R HA 0.242 4.581 4.340 -0.000 0.000 0.271 37 R C 1.339 177.567 176.300 -0.120 0.000 1.078 37 R CA 0.317 56.464 56.100 0.078 0.000 1.127 37 R CB 0.677 31.022 30.300 0.075 0.000 1.038 37 R HN 0.916 nan 8.270 nan 0.000 0.500 38 G N 2.076 110.747 108.800 -0.214 0.000 2.475 38 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.220 38 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.220 38 G C 1.011 175.813 174.900 -0.162 0.000 1.125 38 G CA 0.960 45.856 45.100 -0.339 0.000 0.755 38 G HN 0.685 nan 8.290 nan 0.000 0.565 39 K N -0.355 120.002 120.400 -0.073 0.000 2.555 39 K HA 0.134 4.454 4.320 -0.000 0.000 0.193 39 K C 0.947 177.525 176.600 -0.036 0.000 1.032 39 K CA 0.761 57.022 56.287 -0.043 0.000 1.004 39 K CB 0.111 32.602 32.500 -0.016 0.000 0.804 39 K HN 0.147 nan 8.250 nan 0.000 0.496 40 N N 0.331 119.002 118.700 -0.049 0.000 2.118 40 N HA -0.039 4.701 4.740 -0.000 0.000 0.226 40 N C 1.213 176.715 175.510 -0.013 0.000 1.305 40 N CA 0.079 53.124 53.050 -0.008 0.000 0.890 40 N CB 0.887 39.389 38.487 0.025 0.000 1.118 40 N HN 0.016 nan 8.380 nan 0.000 0.511 41 V N 1.746 121.608 119.914 -0.087 0.000 2.324 41 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 41 V C 1.908 177.988 176.094 -0.025 0.000 1.060 41 V CA 1.692 63.957 62.300 -0.058 0.000 1.042 41 V CB -0.232 31.501 31.823 -0.149 0.000 0.650 41 V HN 0.213 nan 8.190 nan 0.000 0.450 42 L N 0.659 121.848 121.223 -0.056 0.000 2.141 42 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 42 L C 2.781 179.621 176.870 -0.050 0.000 1.094 42 L CA 1.614 56.415 54.840 -0.066 0.000 0.763 42 L CB -0.903 41.105 42.059 -0.086 0.000 0.908 42 L HN 0.595 nan 8.230 nan 0.000 0.437 43 S N 0.022 115.773 115.700 0.084 0.000 2.368 43 S HA -0.273 4.197 4.470 -0.000 0.000 0.225 43 S C 2.000 176.680 174.600 0.134 0.000 1.030 43 S CA 1.347 59.669 58.200 0.203 0.000 0.999 43 S CB -0.460 62.893 63.200 0.254 0.000 0.844 43 S HN 0.279 nan 8.310 nan 0.000 0.459 44 M N 2.087 121.746 119.600 0.099 0.000 2.086 44 M HA 0.147 4.627 4.480 -0.000 0.000 0.261 44 M C 1.937 178.294 176.300 0.094 0.000 1.067 44 M CA 1.401 56.767 55.300 0.110 0.000 1.116 44 M CB -1.037 31.633 32.600 0.117 0.000 1.348 44 M HN 0.390 nan 8.290 nan 0.000 0.407 45 L N -1.453 119.795 121.223 0.041 0.000 2.056 45 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 45 L C 2.120 178.986 176.870 -0.006 0.000 1.078 45 L CA 1.627 56.473 54.840 0.009 0.000 0.749 45 L CB -1.407 40.638 42.059 -0.023 0.000 0.901 45 L HN 0.301 nan 8.230 nan 0.000 0.433 46 T N -1.040 113.476 114.554 -0.063 0.000 2.737 46 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 46 T C 1.903 176.706 174.700 0.172 0.000 1.038 46 T CA 1.169 63.220 62.100 -0.081 0.000 1.144 46 T CB -0.189 68.378 68.868 -0.502 0.000 0.866 46 T HN 0.328 nan 8.240 nan 0.000 0.434 47 Q N 0.269 120.224 119.800 0.258 0.000 2.030 47 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 47 Q C 2.606 178.710 176.000 0.174 0.000 0.986 47 Q CA 1.358 57.334 55.803 0.289 0.000 0.843 47 Q CB -0.497 28.375 28.738 0.225 0.000 0.904 47 Q HN 0.303 nan 8.270 nan 0.000 0.420 48 V N 0.530 120.527 119.914 0.138 0.000 2.332 48 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 48 V C 2.193 178.358 176.094 0.118 0.000 1.055 48 V CA 2.242 64.609 62.300 0.112 0.000 1.038 48 V CB -0.828 31.040 31.823 0.076 0.000 0.651 48 V HN 0.499 nan 8.190 nan 0.000 0.450 49 T N -0.113 114.493 114.554 0.087 0.000 2.674 49 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 49 T C 1.915 176.739 174.700 0.206 0.000 1.039 49 T CA 1.749 63.905 62.100 0.092 0.000 1.150 49 T CB -0.312 68.580 68.868 0.039 0.000 0.864 49 T HN 0.300 nan 8.240 nan 0.000 0.427 50 V N 2.362 122.396 119.914 0.201 0.000 2.427 50 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 50 V C 3.037 179.223 176.094 0.152 0.000 1.051 50 V CA 2.076 64.502 62.300 0.209 0.000 1.048 50 V CB -1.445 30.575 31.823 0.329 0.000 0.666 50 V HN 0.750 nan 8.190 nan 0.000 0.456 51 T N -1.584 113.050 114.554 0.133 0.000 2.867 51 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 51 T C 1.807 176.573 174.700 0.109 0.000 1.057 51 T CA 1.524 63.678 62.100 0.091 0.000 1.136 51 T CB -0.609 68.307 68.868 0.080 0.000 0.874 51 T HN 0.409 nan 8.240 nan 0.000 0.466 52 F N 2.900 122.854 119.950 0.007 0.000 2.102 52 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 52 F C 2.612 178.409 175.800 -0.006 0.000 1.105 52 F CA 1.169 59.160 58.000 -0.015 0.000 1.239 52 F CB -0.856 38.134 39.000 -0.016 0.000 0.991 52 F HN 0.254 nan 8.300 nan 0.000 0.474 53 A N 0.432 123.312 122.820 0.100 0.000 1.902 53 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 53 A C 2.110 179.651 177.584 -0.073 0.000 1.181 53 A CA 1.729 53.759 52.037 -0.011 0.000 0.623 53 A CB -1.291 17.787 19.000 0.129 0.000 0.818 53 A HN 0.495 nan 8.150 nan 0.000 0.443 54 L N -0.172 121.040 121.223 -0.017 0.000 2.017 54 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 54 L C 2.497 179.334 176.870 -0.054 0.000 1.073 54 L CA 1.810 56.640 54.840 -0.016 0.000 0.745 54 L CB -0.504 41.563 42.059 0.012 0.000 0.894 54 L HN 0.183 nan 8.230 nan 0.000 0.432 55 V N -1.635 118.225 119.914 -0.090 0.000 2.358 55 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 55 V C 2.630 178.646 176.094 -0.130 0.000 1.047 55 V CA 1.725 63.962 62.300 -0.105 0.000 1.035 55 V CB -0.684 31.053 31.823 -0.144 0.000 0.658 55 V HN 0.595 nan 8.190 nan 0.000 0.452 56 C N -0.170 118.966 119.300 -0.274 0.000 2.398 56 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 56 C C 2.595 177.541 174.990 -0.073 0.000 1.222 56 C CA 0.781 59.651 59.018 -0.246 0.000 1.746 56 C CB -0.955 26.543 27.740 -0.404 0.000 2.039 56 C HN 0.470 nan 8.230 nan 0.000 0.470 57 I N 0.710 121.232 120.570 -0.080 0.000 2.163 57 I HA -0.137 4.033 4.170 -0.000 0.000 0.240 57 I C 2.391 178.459 176.117 -0.083 0.000 1.081 57 I CA 1.714 62.982 61.300 -0.053 0.000 1.353 57 I CB -1.558 36.420 38.000 -0.037 0.000 1.054 57 I HN 0.340 nan 8.210 nan 0.000 0.407 58 L N -0.826 120.328 121.223 -0.115 0.000 2.079 58 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 58 L C 2.624 179.280 176.870 -0.357 0.000 1.081 58 L CA 1.402 56.052 54.840 -0.316 0.000 0.752 58 L CB -0.631 41.279 42.059 -0.249 0.000 0.896 58 L HN 0.442 nan 8.230 nan 0.000 0.433 59 W N 1.096 122.236 121.300 -0.267 0.000 2.333 59 W HA -0.232 4.428 4.660 -0.000 0.000 0.316 59 W C 2.445 178.908 176.519 -0.093 0.000 1.215 59 W CA 2.542 59.802 57.345 -0.141 0.000 1.278 59 W CB -0.048 29.358 29.460 -0.090 0.000 1.154 59 W HN 0.184 nan 8.180 nan 0.000 0.486 60 V N -0.997 118.889 119.914 -0.047 0.000 2.427 60 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 60 V C 1.965 177.980 176.094 -0.133 0.000 1.051 60 V CA 1.755 63.981 62.300 -0.122 0.000 1.048 60 V CB -1.424 30.362 31.823 -0.062 0.000 0.666 60 V HN 0.025 nan 8.190 nan 0.000 0.456 61 V N 1.331 121.158 119.914 -0.144 0.000 2.220 61 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 61 V C 2.398 178.487 176.094 -0.008 0.000 1.049 61 V CA 3.103 65.356 62.300 -0.079 0.000 1.003 61 V CB -0.818 30.958 31.823 -0.078 0.000 0.634 61 V HN 0.889 nan 8.190 nan 0.000 0.444 62 Y N -1.836 118.444 120.300 -0.035 0.000 2.460 62 Y HA 0.560 5.110 4.550 -0.000 0.000 0.276 62 Y C 2.006 177.839 175.900 -0.111 0.000 1.119 62 Y CA 0.292 58.363 58.100 -0.047 0.000 1.181 62 Y CB -0.768 37.674 38.460 -0.030 0.000 1.304 62 Y HN 0.046 nan 8.280 nan 0.000 0.536 63 G N 1.773 110.381 108.800 -0.320 0.000 2.681 63 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.220 63 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.220 63 G C 1.518 175.951 174.900 -0.778 0.000 1.210 63 G CA 2.066 46.959 45.100 -0.345 0.000 0.783 63 G HN 0.548 nan 8.290 nan 0.000 0.609 64 Y N 1.494 120.904 120.300 -1.483 0.000 2.114 64 Y HA -0.183 4.367 4.550 -0.000 0.000 0.282 64 Y C 3.235 179.060 175.900 -0.126 0.000 1.165 64 Y CA 2.207 59.704 58.100 -1.005 0.000 1.148 64 Y CB -0.631 37.364 38.460 -0.775 0.000 0.972 64 Y HN 0.260 nan 8.280 nan 0.000 0.504 65 S N -0.156 115.596 115.700 0.087 0.000 2.370 65 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 65 S C 1.988 176.604 174.600 0.028 0.000 1.033 65 S CA 1.826 60.150 58.200 0.206 0.000 1.011 65 S CB -0.613 62.712 63.200 0.208 0.000 0.852 65 S HN 0.540 nan 8.310 nan 0.000 0.457 66 L N 0.343 121.574 121.223 0.015 0.000 2.240 66 L HA 0.087 4.427 4.340 -0.000 0.000 0.211 66 L C 2.733 179.606 176.870 0.006 0.000 1.106 66 L CA 0.928 55.788 54.840 0.034 0.000 0.793 66 L CB -0.475 41.671 42.059 0.144 0.000 0.927 66 L HN 0.426 nan 8.230 nan 0.000 0.446 67 A N -0.614 122.176 122.820 -0.050 0.000 1.887 67 A HA 0.012 4.332 4.320 -0.000 0.000 0.212 67 A C 1.615 179.027 177.584 -0.286 0.000 1.198 67 A CA 0.752 52.696 52.037 -0.155 0.000 0.628 67 A CB -0.341 18.577 19.000 -0.137 0.000 0.847 67 A HN 0.304 nan 8.150 nan 0.000 0.449 68 F N 0.417 120.324 119.950 -0.071 0.000 2.695 68 F HA 0.321 4.848 4.527 -0.000 0.000 0.303 68 F C 1.465 177.353 175.800 0.146 0.000 1.091 68 F CA -0.131 57.850 58.000 -0.032 0.000 1.300 68 F CB 0.119 38.965 39.000 -0.256 0.000 1.071 68 F HN 0.218 nan 8.300 nan 0.000 0.578 69 G N 0.858 109.734 108.800 0.127 0.000 2.448 69 G HA2 0.360 4.320 3.960 -0.000 0.000 0.285 69 G HA3 0.360 4.320 3.960 -0.000 0.000 0.285 69 G C -0.503 174.361 174.900 -0.060 0.000 1.176 69 G CA -0.592 44.375 45.100 -0.222 0.000 0.852 69 G HN 0.350 nan 8.290 nan 0.000 0.530 70 E N 1.041 121.165 120.200 -0.126 0.000 2.217 70 E HA 0.507 4.857 4.350 -0.000 0.000 0.279 70 E C 0.485 177.066 176.600 -0.032 0.000 1.068 70 E CA -0.518 55.880 56.400 -0.003 0.000 0.882 70 E CB 1.111 30.806 29.700 -0.007 0.000 1.039 70 E HN 0.448 nan 8.360 nan 0.000 0.418 71 G N 3.412 112.235 108.800 0.037 0.000 3.253 71 G HA2 0.151 4.111 3.960 -0.000 0.000 0.175 71 G HA3 0.151 4.111 3.960 -0.000 0.000 0.175 71 G C -0.151 174.747 174.900 -0.004 0.000 1.098 71 G CA -0.272 44.804 45.100 -0.040 0.000 0.790 71 G HN 0.609 nan 8.290 nan 0.000 0.648 72 N N -0.077 118.604 118.700 -0.031 0.000 2.374 72 N HA 0.130 4.870 4.740 -0.000 0.000 0.272 72 N C 0.439 175.901 175.510 -0.081 0.000 1.340 72 N CA 0.226 53.253 53.050 -0.038 0.000 0.919 72 N CB -0.399 38.090 38.487 0.003 0.000 1.087 72 N HN 0.315 nan 8.380 nan 0.000 0.454 73 N N -2.070 116.433 118.700 -0.328 0.000 2.280 73 N HA 0.299 5.039 4.740 -0.000 0.000 0.192 73 N C -0.139 174.908 175.510 -0.772 0.000 1.109 73 N CA 0.043 52.748 53.050 -0.575 0.000 0.855 73 N CB 0.173 38.191 38.487 -0.782 0.000 0.974 73 N HN 0.331 nan 8.380 nan 0.000 0.482 74 F N -1.559 118.355 119.950 -0.061 0.000 2.463 74 F HA 0.401 4.928 4.527 -0.000 0.000 0.271 74 F C 0.386 175.889 175.800 -0.495 0.000 0.888 74 F CA -0.467 57.398 58.000 -0.225 0.000 1.149 74 F CB 0.190 39.150 39.000 -0.067 0.000 1.071 74 F HN -0.205 nan 8.300 nan 0.000 0.802 75 F N 0.140 119.971 119.950 -0.198 0.000 2.557 75 F HA 0.657 5.184 4.527 -0.000 0.000 0.336 75 F C 0.894 176.205 175.800 -0.815 0.000 1.058 75 F CA -0.853 56.898 58.000 -0.415 0.000 0.988 75 F CB 1.014 39.913 39.000 -0.168 0.000 1.275 75 F HN -0.046 nan 8.300 nan 0.000 0.488 76 G N 0.055 108.625 108.800 -0.383 0.000 2.671 76 G HA2 0.360 4.320 3.960 -0.000 0.000 0.275 76 G HA3 0.360 4.320 3.960 -0.000 0.000 0.275 76 G C -1.084 173.720 174.900 -0.161 0.000 1.368 76 G CA -0.843 44.069 45.100 -0.313 0.000 1.044 76 G HN 0.641 nan 8.290 nan 0.000 0.543 77 N N -1.613 116.982 118.700 -0.176 0.000 2.448 77 N HA 0.330 5.070 4.740 -0.000 0.000 0.274 77 N C 0.479 175.880 175.510 -0.181 0.000 1.239 77 N CA -0.722 52.214 53.050 -0.189 0.000 0.982 77 N CB 0.943 39.290 38.487 -0.234 0.000 1.199 77 N HN 0.555 nan 8.380 nan 0.000 0.576 78 I N -4.233 116.239 120.570 -0.162 0.000 3.736 78 I HA 0.356 4.526 4.170 -0.000 0.000 0.338 78 I C 0.080 176.134 176.117 -0.105 0.000 1.558 78 I CA -0.490 60.743 61.300 -0.112 0.000 1.147 78 I CB -0.501 37.441 38.000 -0.096 0.000 1.275 78 I HN 0.366 nan 8.210 nan 0.000 0.454 79 N N 0.987 119.558 118.700 -0.215 0.000 2.376 79 N HA 0.003 4.743 4.740 -0.000 0.000 0.177 79 N C 0.147 175.639 175.510 -0.028 0.000 1.024 79 N CA 0.729 53.648 53.050 -0.218 0.000 0.893 79 N CB 0.169 38.394 38.487 -0.436 0.000 0.980 79 N HN 0.534 nan 8.380 nan 0.000 0.439 80 W N 2.052 123.386 121.300 0.056 0.000 2.637 80 W HA 0.392 5.052 4.660 -0.000 0.000 0.420 80 W C -0.588 175.958 176.519 0.045 0.000 0.766 80 W CA -0.644 56.744 57.345 0.071 0.000 2.499 80 W CB -0.821 28.728 29.460 0.148 0.000 1.395 80 W HN -0.080 nan 8.180 nan 0.000 0.802 81 L N 2.603 123.941 121.223 0.193 0.000 2.433 81 L HA 0.053 4.393 4.340 -0.000 0.000 0.275 81 L C 1.255 178.185 176.870 0.101 0.000 1.128 81 L CA 0.064 54.982 54.840 0.129 0.000 0.875 81 L CB 0.294 42.406 42.059 0.089 0.000 1.171 81 L HN 0.010 nan 8.230 nan 0.000 0.463 82 M N 4.823 124.461 119.600 0.064 0.000 2.879 82 M HA -0.211 4.269 4.480 -0.000 0.000 0.210 82 M C 0.573 176.875 176.300 0.005 0.000 0.550 82 M CA 0.459 55.773 55.300 0.023 0.000 0.732 82 M CB -1.131 31.491 32.600 0.036 0.000 2.662 82 M HN 0.790 nan 8.290 nan 0.000 0.516 83 L N -1.357 119.862 121.223 -0.007 0.000 4.232 83 L HA -0.246 4.094 4.340 -0.000 0.000 0.415 83 L C 0.857 177.747 176.870 0.033 0.000 1.168 83 L CA 1.674 56.466 54.840 -0.080 0.000 0.966 83 L CB -1.984 39.902 42.059 -0.288 0.000 2.052 83 L HN 0.677 nan 8.230 nan 0.000 0.887 84 K N -0.087 120.381 120.400 0.113 0.000 2.237 84 K HA 0.343 4.663 4.320 -0.000 0.000 0.270 84 K C 1.050 177.788 176.600 0.231 0.000 1.015 84 K CA 0.106 56.475 56.287 0.136 0.000 0.949 84 K CB 0.937 33.505 32.500 0.115 0.000 0.976 84 K HN 0.173 nan 8.250 nan 0.000 0.472 85 N N 0.128 118.946 118.700 0.196 0.000 2.980 85 N HA -0.173 4.567 4.740 -0.000 0.000 0.219 85 N C -0.805 174.835 175.510 0.217 0.000 0.883 85 N CA 1.344 54.551 53.050 0.262 0.000 1.018 85 N CB -1.221 37.501 38.487 0.393 0.000 1.041 85 N HN 0.698 nan 8.380 nan 0.000 0.592 86 I N 2.389 123.009 120.570 0.083 0.000 2.287 86 I HA 0.100 4.270 4.170 -0.000 0.000 0.290 86 I C 0.618 176.773 176.117 0.064 0.000 1.069 86 I CA -0.213 61.050 61.300 -0.062 0.000 1.237 86 I CB 0.614 38.455 38.000 -0.264 0.000 1.418 86 I HN -0.071 nan 8.210 nan 0.000 0.481 87 E N 4.121 124.344 120.200 0.039 0.000 2.398 87 E HA -0.020 4.330 4.350 -0.000 0.000 0.263 87 E C 0.843 177.425 176.600 -0.030 0.000 1.046 87 E CA -0.367 56.036 56.400 0.006 0.000 0.908 87 E CB 1.431 31.119 29.700 -0.019 0.000 0.963 87 E HN 0.466 nan 8.360 nan 0.000 0.431 88 L N 3.145 124.281 121.223 -0.145 0.000 2.187 88 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 88 L C 2.139 178.786 176.870 -0.373 0.000 1.100 88 L CA 2.187 56.803 54.840 -0.375 0.000 0.765 88 L CB -0.482 41.298 42.059 -0.464 0.000 0.904 88 L HN 0.699 nan 8.230 nan 0.000 0.437 89 T N -3.155 111.259 114.554 -0.233 0.000 3.107 89 T HA 0.365 4.715 4.350 -0.000 0.000 0.249 89 T C 0.902 175.650 174.700 0.081 0.000 1.096 89 T CA 0.145 62.154 62.100 -0.151 0.000 1.012 89 T CB -0.550 68.256 68.868 -0.103 0.000 0.977 89 T HN 0.342 nan 8.240 nan 0.000 0.527 90 A N 1.409 124.257 122.820 0.045 0.000 2.540 90 A HA 0.505 4.825 4.320 -0.000 0.000 0.239 90 A C 0.131 177.813 177.584 0.163 0.000 1.061 90 A CA -0.262 51.819 52.037 0.073 0.000 0.758 90 A CB 0.048 19.060 19.000 0.020 0.000 0.991 90 A HN 0.372 nan 8.150 nan 0.000 0.502 91 V N 3.993 123.971 119.914 0.106 0.000 2.417 91 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 91 V C -0.082 176.007 176.094 -0.007 0.000 1.024 91 V CA -0.324 62.004 62.300 0.047 0.000 0.861 91 V CB 1.413 33.232 31.823 -0.007 0.000 0.985 91 V HN 0.955 nan 8.190 nan 0.000 0.436 92 M N 5.533 125.103 119.600 -0.049 0.000 2.044 92 M HA 0.703 5.183 4.480 -0.000 0.000 0.333 92 M C 0.545 176.757 176.300 -0.147 0.000 1.004 92 M CA 1.014 56.247 55.300 -0.111 0.000 0.954 92 M CB 0.292 32.785 32.600 -0.178 0.000 1.468 92 M HN 0.997 nan 8.290 nan 0.000 0.414 93 G N 3.227 111.958 108.800 -0.115 0.000 2.720 93 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.293 93 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.293 93 G C 0.365 175.205 174.900 -0.099 0.000 1.256 93 G CA 0.590 45.624 45.100 -0.109 0.000 0.974 93 G HN 1.481 nan 8.290 nan 0.000 0.551 94 S N 0.223 115.854 115.700 -0.115 0.000 2.819 94 S HA 0.633 5.103 4.470 -0.000 0.000 0.249 94 S C 0.428 174.928 174.600 -0.167 0.000 1.030 94 S CA 0.563 58.688 58.200 -0.125 0.000 1.052 94 S CB -0.222 62.917 63.200 -0.101 0.000 1.017 94 S HN 1.741 nan 8.310 nan 0.000 0.576 95 I N -2.674 117.796 120.570 -0.167 0.000 3.002 95 I HA 0.723 4.893 4.170 -0.000 0.000 0.310 95 I C -1.192 174.832 176.117 -0.154 0.000 1.087 95 I CA -1.754 59.436 61.300 -0.183 0.000 1.017 95 I CB 0.884 38.831 38.000 -0.089 0.000 1.226 95 I HN -0.142 nan 8.210 nan 0.000 0.443 96 Y N 1.930 122.224 120.300 -0.010 0.000 2.442 96 Y HA 0.090 4.640 4.550 -0.000 0.000 0.330 96 Y C 1.638 177.551 175.900 0.022 0.000 1.129 96 Y CA 0.227 58.327 58.100 0.001 0.000 1.365 96 Y CB 0.755 39.214 38.460 -0.000 0.000 1.233 96 Y HN 0.704 nan 8.280 nan 0.000 0.529 97 Q N 2.002 121.916 119.800 0.189 0.000 2.173 97 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 97 Q C 1.237 177.256 176.000 0.032 0.000 0.989 97 Q CA 1.938 57.779 55.803 0.064 0.000 0.872 97 Q CB -0.221 28.479 28.738 -0.064 0.000 0.909 97 Q HN 0.856 nan 8.270 nan 0.000 0.420 98 Y N 0.135 120.391 120.300 -0.074 0.000 2.193 98 Y HA -0.247 4.303 4.550 0.000 0.000 0.285 98 Y C 1.887 177.758 175.900 -0.049 0.000 1.166 98 Y CA 1.452 59.488 58.100 -0.108 0.000 1.181 98 Y CB -0.090 38.315 38.460 -0.093 0.000 0.976 98 Y HN 0.199 nan 8.280 nan 0.000 0.520 99 I N -1.514 119.155 120.570 0.166 0.000 2.353 99 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 99 I C 2.575 178.759 176.117 0.111 0.000 1.119 99 I CA 1.420 62.794 61.300 0.122 0.000 1.417 99 I CB -0.555 37.512 38.000 0.112 0.000 1.078 99 I HN 0.323 nan 8.210 nan 0.000 0.421 100 H N 0.990 120.056 119.070 -0.008 0.000 2.353 100 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 100 H C 2.307 177.653 175.328 0.030 0.000 1.090 100 H CA 1.846 57.893 56.048 -0.002 0.000 1.327 100 H CB 0.286 30.023 29.762 -0.041 0.000 1.383 100 H HN 0.106 nan 8.280 nan 0.000 0.508 101 V N 1.382 121.147 119.914 -0.248 0.000 2.255 101 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 101 V C 3.061 179.174 176.094 0.032 0.000 1.051 101 V CA 1.821 63.882 62.300 -0.398 0.000 1.018 101 V CB -1.248 30.097 31.823 -0.797 0.000 0.641 101 V HN 0.592 nan 8.190 nan 0.000 0.445 102 A N -0.634 122.180 122.820 -0.010 0.000 1.902 102 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 102 A C 2.121 179.726 177.584 0.036 0.000 1.181 102 A CA 2.123 54.179 52.037 0.033 0.000 0.623 102 A CB -0.744 18.285 19.000 0.050 0.000 0.818 102 A HN 0.518 nan 8.150 nan 0.000 0.443 103 F N 0.565 120.471 119.950 -0.074 0.000 2.069 103 F HA -0.211 4.316 4.527 0.000 0.000 0.298 103 F C 2.461 178.225 175.800 -0.061 0.000 1.113 103 F CA 2.279 60.242 58.000 -0.063 0.000 1.214 103 F CB -0.273 38.676 39.000 -0.085 0.000 0.978 103 F HN 0.183 nan 8.300 nan 0.000 0.474 104 Q N 0.378 120.052 119.800 -0.208 0.000 2.226 104 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 104 Q C 2.471 178.192 176.000 -0.466 0.000 0.975 104 Q CA 1.206 56.838 55.803 -0.285 0.000 0.866 104 Q CB -1.264 27.360 28.738 -0.190 0.000 0.915 104 Q HN 0.601 nan 8.270 nan 0.000 0.440 105 G N 0.686 109.155 108.800 -0.552 0.000 2.408 105 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 105 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 105 G C 1.634 176.157 174.900 -0.628 0.000 1.150 105 G CA 1.173 45.621 45.100 -1.085 0.000 0.776 105 G HN 0.520 nan 8.290 nan 0.000 0.542 106 S N 0.251 115.735 115.700 -0.360 0.000 2.419 106 S HA -0.016 4.453 4.470 -0.000 0.000 0.233 106 S C 2.047 176.473 174.600 -0.291 0.000 1.016 106 S CA 0.835 58.880 58.200 -0.258 0.000 0.974 106 S CB -0.502 62.581 63.200 -0.194 0.000 0.786 106 S HN 0.184 nan 8.310 nan 0.000 0.492 107 F N 2.372 122.048 119.950 -0.457 0.000 2.186 107 F HA 0.210 4.736 4.527 -0.000 0.000 0.299 107 F C 2.778 178.406 175.800 -0.286 0.000 1.090 107 F CA 0.580 58.408 58.000 -0.285 0.000 1.307 107 F CB -0.768 38.099 39.000 -0.222 0.000 1.019 107 F HN 0.311 nan 8.300 nan 0.000 0.489 108 A N -0.931 121.638 122.820 -0.419 0.000 1.873 108 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 108 A C 2.332 179.633 177.584 -0.472 0.000 1.186 108 A CA 1.654 53.187 52.037 -0.840 0.000 0.616 108 A CB -1.460 16.918 19.000 -1.036 0.000 0.823 108 A HN 0.443 nan 8.150 nan 0.000 0.442 109 C N -1.000 118.094 119.300 -0.344 0.000 2.393 109 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 109 C C 2.483 177.436 174.990 -0.062 0.000 1.215 109 C CA 1.286 60.212 59.018 -0.153 0.000 1.743 109 C CB -1.352 26.355 27.740 -0.055 0.000 2.044 109 C HN 0.684 nan 8.230 nan 0.000 0.464 110 I N 1.040 121.542 120.570 -0.113 0.000 2.315 110 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 110 I C 2.390 178.441 176.117 -0.109 0.000 1.117 110 I CA 1.871 63.088 61.300 -0.139 0.000 1.404 110 I CB -0.731 37.113 38.000 -0.261 0.000 1.071 110 I HN 0.295 nan 8.210 nan 0.000 0.419 111 T N -0.139 114.369 114.554 -0.076 0.000 2.720 111 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 111 T C 1.982 176.708 174.700 0.042 0.000 1.037 111 T CA 1.906 64.027 62.100 0.035 0.000 1.144 111 T CB -0.438 68.533 68.868 0.172 0.000 0.864 111 T HN 0.221 nan 8.240 nan 0.000 0.444 112 V N 1.118 121.042 119.914 0.018 0.000 2.548 112 V HA 0.004 4.124 4.120 -0.000 0.000 0.249 112 V C 2.809 178.924 176.094 0.036 0.000 1.055 112 V CA 1.666 63.985 62.300 0.032 0.000 1.065 112 V CB -1.150 30.709 31.823 0.060 0.000 0.681 112 V HN 0.585 nan 8.190 nan 0.000 0.462 113 G N -0.065 108.756 108.800 0.035 0.000 2.422 113 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 113 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 113 G C 1.560 176.544 174.900 0.141 0.000 1.140 113 G CA 0.633 45.777 45.100 0.072 0.000 0.775 113 G HN 0.471 nan 8.290 nan 0.000 0.545 114 L N 0.203 121.464 121.223 0.063 0.000 2.083 114 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 114 L C 2.788 179.757 176.870 0.165 0.000 1.083 114 L CA 0.716 55.623 54.840 0.113 0.000 0.752 114 L CB -0.388 41.599 42.059 -0.120 0.000 0.899 114 L HN 0.204 nan 8.230 nan 0.000 0.433 115 I N -1.025 119.568 120.570 0.040 0.000 2.226 115 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 115 I C 2.492 178.585 176.117 -0.039 0.000 1.100 115 I CA 0.915 62.197 61.300 -0.030 0.000 1.374 115 I CB -0.559 37.364 38.000 -0.129 0.000 1.057 115 I HN -0.008 nan 8.210 nan 0.000 0.413 116 V N 1.668 121.592 119.914 0.017 0.000 2.313 116 V HA -0.324 3.796 4.120 -0.000 0.000 0.253 116 V C 2.618 178.625 176.094 -0.146 0.000 1.070 116 V CA 2.335 64.632 62.300 -0.007 0.000 1.057 116 V CB -1.660 30.221 31.823 0.097 0.000 0.653 116 V HN 0.647 nan 8.190 nan 0.000 0.450 117 G N -0.871 107.697 108.800 -0.388 0.000 2.501 117 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.220 117 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.220 117 G C 1.506 176.122 174.900 -0.474 0.000 1.114 117 G CA 0.935 45.483 45.100 -0.919 0.000 0.757 117 G HN 0.680 nan 8.290 nan 0.000 0.559 118 A N -0.173 122.478 122.820 -0.281 0.000 2.132 118 A HA 0.430 4.750 4.320 -0.000 0.000 0.213 118 A C 2.070 179.528 177.584 -0.210 0.000 1.154 118 A CA 0.271 52.184 52.037 -0.205 0.000 0.753 118 A CB 0.005 18.921 19.000 -0.140 0.000 0.826 118 A HN 0.337 nan 8.150 nan 0.000 0.469 119 L N -0.720 120.387 121.223 -0.194 0.000 2.585 119 L HA 0.285 4.625 4.340 -0.000 0.000 0.226 119 L C 1.356 178.150 176.870 -0.127 0.000 1.113 119 L CA -0.032 54.705 54.840 -0.172 0.000 0.876 119 L CB -0.410 41.562 42.059 -0.145 0.000 1.072 119 L HN 0.291 nan 8.230 nan 0.000 0.468 120 A N 1.022 123.765 122.820 -0.128 0.000 2.609 120 A HA -0.067 4.253 4.320 -0.000 0.000 0.232 120 A C 1.094 178.642 177.584 -0.060 0.000 1.041 120 A CA 0.691 52.679 52.037 -0.081 0.000 0.753 120 A CB -0.091 18.846 19.000 -0.106 0.000 0.966 120 A HN 0.628 nan 8.150 nan 0.000 0.510 121 E N -0.610 119.583 120.200 -0.012 0.000 3.799 121 E HA -0.298 4.052 4.350 -0.000 0.000 0.320 121 E C 0.892 177.493 176.600 0.001 0.000 0.760 121 E CA 1.375 57.781 56.400 0.010 0.000 1.153 121 E CB -0.845 28.874 29.700 0.032 0.000 1.589 121 E HN 0.940 nan 8.360 nan 0.000 0.448 122 R N 0.142 120.628 120.500 -0.023 0.000 2.504 122 R HA 0.304 4.644 4.340 -0.000 0.000 0.341 122 R C 0.446 176.729 176.300 -0.029 0.000 0.905 122 R CA -0.163 55.921 56.100 -0.028 0.000 1.133 122 R CB -0.060 30.210 30.300 -0.051 0.000 1.704 122 R HN 0.164 nan 8.270 nan 0.000 0.503 123 I N 2.181 122.739 120.570 -0.021 0.000 2.499 123 I HA 0.293 4.463 4.170 -0.000 0.000 0.296 123 I C 0.088 176.225 176.117 0.033 0.000 0.992 123 I CA -0.973 60.321 61.300 -0.011 0.000 1.297 123 I CB 1.355 39.339 38.000 -0.026 0.000 1.410 123 I HN 0.077 nan 8.210 nan 0.000 0.507 124 R N 5.624 126.145 120.500 0.035 0.000 2.298 124 R HA 0.082 4.422 4.340 -0.000 0.000 0.310 124 R C 0.566 176.937 176.300 0.119 0.000 1.068 124 R CA -0.068 56.075 56.100 0.070 0.000 0.957 124 R CB 0.495 30.824 30.300 0.049 0.000 1.003 124 R HN 0.777 nan 8.270 nan 0.000 0.454 125 F N 3.189 123.156 119.950 0.028 0.000 2.063 125 F HA -0.346 4.181 4.527 -0.000 0.000 0.298 125 F C 2.319 178.168 175.800 0.081 0.000 1.109 125 F CA 2.563 60.611 58.000 0.080 0.000 1.212 125 F CB -0.078 38.994 39.000 0.120 0.000 0.973 125 F HN 0.727 nan 8.300 nan 0.000 0.480 126 S N 0.383 116.141 115.700 0.098 0.000 2.400 126 S HA -0.196 4.274 4.470 -0.000 0.000 0.232 126 S C 2.118 176.700 174.600 -0.031 0.000 1.025 126 S CA 0.854 59.060 58.200 0.011 0.000 0.993 126 S CB -1.154 62.102 63.200 0.093 0.000 0.808 126 S HN 0.494 nan 8.310 nan 0.000 0.478 127 A N 1.411 124.231 122.820 -0.000 0.000 1.929 127 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 127 A C 2.386 179.988 177.584 0.031 0.000 1.176 127 A CA 1.303 53.356 52.037 0.028 0.000 0.628 127 A CB -1.015 18.010 19.000 0.042 0.000 0.816 127 A HN 0.428 nan 8.150 nan 0.000 0.444 128 V N 0.428 120.321 119.914 -0.036 0.000 2.332 128 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 128 V C 2.546 178.638 176.094 -0.003 0.000 1.055 128 V CA 2.027 64.312 62.300 -0.026 0.000 1.038 128 V CB -0.703 31.048 31.823 -0.119 0.000 0.651 128 V HN 0.583 nan 8.190 nan 0.000 0.450 129 L N -0.849 120.300 121.223 -0.124 0.000 2.093 129 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 129 L C 2.328 179.202 176.870 0.006 0.000 1.085 129 L CA 1.514 56.304 54.840 -0.083 0.000 0.755 129 L CB -0.543 41.426 42.059 -0.149 0.000 0.904 129 L HN 0.282 nan 8.230 nan 0.000 0.435 130 I N -0.645 119.942 120.570 0.028 0.000 2.252 130 I HA -0.312 3.857 4.170 -0.000 0.000 0.245 130 I C 2.559 178.715 176.117 0.065 0.000 1.102 130 I CA 1.387 62.715 61.300 0.047 0.000 1.385 130 I CB -0.381 37.649 38.000 0.050 0.000 1.064 130 I HN 0.135 nan 8.210 nan 0.000 0.414 131 F N 1.720 121.641 119.950 -0.048 0.000 2.095 131 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 131 F C 2.337 178.135 175.800 -0.003 0.000 1.104 131 F CA 1.628 59.572 58.000 -0.094 0.000 1.232 131 F CB -0.466 38.406 39.000 -0.214 0.000 0.987 131 F HN -0.235 nan 8.300 nan 0.000 0.475 132 V N 0.231 120.133 119.914 -0.020 0.000 2.252 132 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 132 V C 2.466 178.539 176.094 -0.035 0.000 1.056 132 V CA 1.919 64.192 62.300 -0.044 0.000 1.022 132 V CB -1.091 30.776 31.823 0.073 0.000 0.641 132 V HN 0.330 nan 8.190 nan 0.000 0.445 133 V N -0.166 119.750 119.914 0.005 0.000 2.282 133 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 133 V C 2.390 178.508 176.094 0.040 0.000 1.057 133 V CA 2.268 64.600 62.300 0.053 0.000 1.032 133 V CB -0.710 31.149 31.823 0.061 0.000 0.645 133 V HN 0.420 nan 8.190 nan 0.000 0.447 134 V N -1.549 118.343 119.914 -0.037 0.000 2.270 134 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 134 V C 1.980 178.040 176.094 -0.057 0.000 1.043 134 V CA 2.392 64.663 62.300 -0.047 0.000 1.014 134 V CB -0.749 31.032 31.823 -0.070 0.000 0.645 134 V HN 0.749 nan 8.190 nan 0.000 0.447 135 W N 0.402 121.438 121.300 -0.440 0.000 2.379 135 W HA -0.160 4.500 4.660 -0.000 0.000 0.307 135 W C 2.253 178.724 176.519 -0.081 0.000 1.200 135 W CA 1.810 58.920 57.345 -0.391 0.000 1.297 135 W CB -0.239 28.666 29.460 -0.924 0.000 1.140 135 W HN 0.217 nan 8.180 nan 0.000 0.507 136 L N 0.279 121.588 121.223 0.142 0.000 2.083 136 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 136 L C 2.220 179.175 176.870 0.142 0.000 1.083 136 L CA 2.666 57.591 54.840 0.142 0.000 0.752 136 L CB -1.089 41.084 42.059 0.190 0.000 0.899 136 L HN -0.112 nan 8.230 nan 0.000 0.433 137 T N -0.270 114.383 114.554 0.164 0.000 2.732 137 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 137 T C 1.768 176.597 174.700 0.216 0.000 1.040 137 T CA 1.839 64.087 62.100 0.246 0.000 1.145 137 T CB -0.220 68.770 68.868 0.204 0.000 0.866 137 T HN 0.289 nan 8.240 nan 0.000 0.427 138 L N 0.174 121.462 121.223 0.109 0.000 2.529 138 L HA 0.233 4.573 4.340 -0.000 0.000 0.223 138 L C 2.381 179.309 176.870 0.097 0.000 1.113 138 L CA 0.429 55.360 54.840 0.150 0.000 0.861 138 L CB 0.024 42.144 42.059 0.101 0.000 1.012 138 L HN 0.241 nan 8.230 nan 0.000 0.461 139 S N -1.548 114.028 115.700 -0.207 0.000 3.039 139 S HA -0.034 4.435 4.470 -0.000 0.000 0.251 139 S C 1.761 176.015 174.600 -0.575 0.000 1.064 139 S CA -0.195 57.783 58.200 -0.369 0.000 0.822 139 S CB -0.239 62.453 63.200 -0.846 0.000 0.802 139 S HN 0.316 nan 8.310 nan 0.000 0.519 140 Y N 2.391 122.191 120.300 -0.834 0.000 2.114 140 Y HA -0.019 4.530 4.550 -0.000 0.000 0.284 140 Y C 1.965 177.708 175.900 -0.261 0.000 1.143 140 Y CA 2.126 59.913 58.100 -0.523 0.000 1.135 140 Y CB -0.394 37.871 38.460 -0.326 0.000 0.980 140 Y HN 0.300 nan 8.280 nan 0.000 0.499 141 I N 0.239 120.810 120.570 0.001 0.000 2.099 141 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 141 I C -0.667 175.276 176.117 -0.290 0.000 1.066 141 I CA 1.662 62.972 61.300 0.018 0.000 1.324 141 I CB -1.529 36.615 38.000 0.240 0.000 1.037 141 I HN 0.225 nan 8.210 nan 0.000 0.401 142 P HA -0.153 nan 4.420 nan 0.000 0.215 142 P C 1.858 178.715 177.300 -0.738 0.000 1.153 142 P CA 1.633 64.280 63.100 -0.755 0.000 0.853 142 P CB -0.028 31.139 31.700 -0.887 0.000 0.788 143 I N -0.760 119.331 120.570 -0.799 0.000 2.252 143 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 143 I C 2.324 178.027 176.117 -0.689 0.000 1.102 143 I CA 1.400 62.243 61.300 -0.761 0.000 1.385 143 I CB -0.730 36.866 38.000 -0.674 0.000 1.064 143 I HN -0.090 nan 8.210 nan 0.000 0.414 144 A N -0.155 122.219 122.820 -0.744 0.000 1.933 144 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 144 A C 2.335 179.581 177.584 -0.563 0.000 1.175 144 A CA 1.591 53.201 52.037 -0.711 0.000 0.628 144 A CB -0.972 17.644 19.000 -0.641 0.000 0.814 144 A HN 0.497 nan 8.150 nan 0.000 0.444 145 H N -0.728 117.999 119.070 -0.572 0.000 2.357 145 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 145 H C 2.000 177.093 175.328 -0.392 0.000 1.082 145 H CA 1.932 57.697 56.048 -0.473 0.000 1.342 145 H CB -0.177 29.351 29.762 -0.390 0.000 1.389 145 H HN 0.453 nan 8.280 nan 0.000 0.511 146 M N -0.140 119.243 119.600 -0.361 0.000 2.159 146 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 146 M C 2.316 178.417 176.300 -0.331 0.000 1.063 146 M CA 1.283 56.373 55.300 -0.350 0.000 1.110 146 M CB 0.225 32.587 32.600 -0.397 0.000 1.374 146 M HN 0.111 nan 8.290 nan 0.000 0.411 147 V N -2.600 117.075 119.914 -0.397 0.000 2.492 147 V HA -0.115 4.005 4.120 -0.000 0.000 0.241 147 V C 1.138 177.146 176.094 -0.144 0.000 1.041 147 V CA 0.999 63.086 62.300 -0.354 0.000 1.057 147 V CB -0.210 31.235 31.823 -0.630 0.000 0.711 147 V HN 0.550 nan 8.190 nan 0.000 0.468 148 W N 0.446 121.618 121.300 -0.214 0.000 3.005 148 W HA 0.565 5.225 4.660 0.000 0.000 0.374 148 W C 1.271 177.702 176.519 -0.148 0.000 1.076 148 W CA -0.045 57.233 57.345 -0.112 0.000 1.794 148 W CB -0.050 29.424 29.460 0.023 0.000 1.113 148 W HN 0.283 nan 8.180 nan 0.000 0.584 149 G N -0.424 108.245 108.800 -0.219 0.000 4.547 149 G HA2 0.387 4.347 3.960 -0.000 0.000 0.301 149 G HA3 0.387 4.347 3.960 -0.000 0.000 0.301 149 G C 1.089 175.714 174.900 -0.459 0.000 1.240 149 G CA -0.017 44.843 45.100 -0.399 0.000 0.970 149 G HN 0.196 nan 8.290 nan 0.000 0.574 150 G N -0.335 108.337 108.800 -0.213 0.000 2.269 150 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.277 150 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.277 150 G C 0.947 175.702 174.900 -0.242 0.000 1.008 150 G CA 0.656 45.655 45.100 -0.167 0.000 0.774 150 G HN 1.057 nan 8.290 nan 0.000 0.511 151 G N -1.215 107.370 108.800 -0.358 0.000 2.489 151 G HA2 0.491 4.451 3.960 -0.000 0.000 0.271 151 G HA3 0.491 4.451 3.960 -0.000 0.000 0.271 151 G C 1.323 176.064 174.900 -0.265 0.000 1.427 151 G CA 0.112 45.024 45.100 -0.314 0.000 1.057 151 G HN 0.784 nan 8.290 nan 0.000 0.532 152 L N -0.553 120.491 121.223 -0.298 0.000 1.978 152 L HA -0.150 4.190 4.340 -0.000 0.000 0.218 152 L C 2.822 179.560 176.870 -0.219 0.000 1.075 152 L CA 1.860 56.523 54.840 -0.296 0.000 0.767 152 L CB -0.588 41.313 42.059 -0.262 0.000 0.890 152 L HN 0.487 nan 8.230 nan 0.000 0.434 153 L N -1.189 119.960 121.223 -0.124 0.000 2.093 153 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 153 L C 2.566 179.425 176.870 -0.019 0.000 1.085 153 L CA 0.998 55.825 54.840 -0.021 0.000 0.755 153 L CB -0.875 41.153 42.059 -0.052 0.000 0.904 153 L HN 0.377 nan 8.230 nan 0.000 0.435 154 A N -0.040 122.735 122.820 -0.074 0.000 2.014 154 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 154 A C 2.425 179.982 177.584 -0.044 0.000 1.163 154 A CA 1.480 53.500 52.037 -0.029 0.000 0.652 154 A CB -0.452 18.527 19.000 -0.035 0.000 0.808 154 A HN 0.479 nan 8.150 nan 0.000 0.449 155 S N -1.791 113.833 115.700 -0.126 0.000 2.603 155 S HA -0.009 4.460 4.470 -0.000 0.000 0.220 155 S C 1.125 175.642 174.600 -0.139 0.000 0.967 155 S CA 0.832 58.938 58.200 -0.155 0.000 0.920 155 S CB -0.689 62.368 63.200 -0.239 0.000 0.773 155 S HN 0.747 nan 8.310 nan 0.000 0.529 156 H N 0.023 119.082 119.070 -0.019 0.000 2.652 156 H HA 0.390 4.946 4.556 -0.000 0.000 0.274 156 H C 1.474 176.793 175.328 -0.015 0.000 1.021 156 H CA 0.044 56.091 56.048 -0.001 0.000 1.187 156 H CB 0.656 30.421 29.762 0.005 0.000 1.505 156 H HN 0.552 nan 8.280 nan 0.000 0.530 157 G N 0.962 109.812 108.800 0.083 0.000 2.132 157 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.234 157 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.234 157 G C 0.428 175.342 174.900 0.024 0.000 0.989 157 G CA 0.005 45.122 45.100 0.027 0.000 0.676 157 G HN 0.588 nan 8.290 nan 0.000 0.522 158 A N -0.161 122.693 122.820 0.057 0.000 2.587 158 A HA 0.470 4.790 4.320 -0.000 0.000 0.233 158 A C 0.725 178.359 177.584 0.083 0.000 1.049 158 A CA 0.656 52.730 52.037 0.061 0.000 0.754 158 A CB 0.163 19.201 19.000 0.064 0.000 0.977 158 A HN 1.068 nan 8.150 nan 0.000 0.509 159 L N 2.967 124.228 121.223 0.063 0.000 2.283 159 L HA 0.366 4.706 4.340 -0.000 0.000 0.281 159 L C -0.402 176.659 176.870 0.318 0.000 1.033 159 L CA -0.198 54.671 54.840 0.048 0.000 0.848 159 L CB 0.957 42.847 42.059 -0.282 0.000 1.226 159 L HN 0.725 nan 8.230 nan 0.000 0.429 160 D N 2.131 122.851 120.400 0.534 0.000 2.517 160 D HA 0.066 4.706 4.640 -0.000 0.000 0.263 160 D C 0.537 177.271 176.300 0.723 0.000 1.233 160 D CA -0.468 53.871 54.000 0.565 0.000 0.849 160 D CB 0.590 41.607 40.800 0.361 0.000 1.261 160 D HN 0.272 nan 8.370 nan 0.000 0.516 161 F N 2.629 122.907 119.950 0.547 0.000 2.063 161 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 161 F C 1.703 177.641 175.800 0.231 0.000 1.109 161 F CA 2.285 60.419 58.000 0.222 0.000 1.212 161 F CB 0.393 39.337 39.000 -0.093 0.000 0.973 161 F HN 0.391 nan 8.300 nan 0.000 0.480 162 A N -1.524 121.591 122.820 0.492 0.000 2.603 162 A HA 0.561 4.881 4.320 -0.000 0.000 0.277 162 A C 0.866 178.897 177.584 0.746 0.000 1.158 162 A CA 0.402 52.684 52.037 0.409 0.000 0.962 162 A CB -0.305 18.984 19.000 0.483 0.000 1.189 162 A HN 0.963 nan 8.150 nan 0.000 0.552 163 G N -0.999 108.322 108.800 0.867 0.000 2.468 163 G HA2 0.062 4.022 3.960 -0.000 0.000 0.143 163 G HA3 0.062 4.022 3.960 -0.000 0.000 0.143 163 G C 0.890 176.094 174.900 0.506 0.000 1.065 163 G CA 0.198 45.668 45.100 0.616 0.000 0.776 163 G HN 1.088 nan 8.290 nan 0.000 0.486 164 G N 0.003 109.095 108.800 0.487 0.000 2.394 164 G HA2 0.125 4.085 3.960 -0.000 0.000 0.215 164 G HA3 0.125 4.085 3.960 -0.000 0.000 0.215 164 G C 1.818 176.913 174.900 0.325 0.000 1.165 164 G CA 2.452 47.834 45.100 0.469 0.000 0.784 164 G HN 1.383 nan 8.290 nan 0.000 0.535 165 T N -0.938 113.725 114.554 0.180 0.000 2.837 165 T HA -0.002 4.348 4.350 -0.000 0.000 0.248 165 T C 2.340 177.043 174.700 0.005 0.000 1.033 165 T CA 1.209 63.358 62.100 0.083 0.000 1.150 165 T CB -0.654 68.208 68.868 -0.009 0.000 0.865 165 T HN -0.026 nan 8.240 nan 0.000 0.425 166 V N 1.727 121.522 119.914 -0.198 0.000 2.324 166 V HA -0.147 3.973 4.120 -0.000 0.000 0.250 166 V C 2.733 178.822 176.094 -0.009 0.000 1.060 166 V CA 1.787 63.875 62.300 -0.352 0.000 1.042 166 V CB -0.908 30.360 31.823 -0.923 0.000 0.650 166 V HN 0.419 nan 8.190 nan 0.000 0.450 167 V N -1.417 118.567 119.914 0.116 0.000 2.543 167 V HA -0.014 4.106 4.120 -0.000 0.000 0.232 167 V C 2.335 178.498 176.094 0.115 0.000 1.087 167 V CA 1.114 63.515 62.300 0.167 0.000 1.113 167 V CB -0.775 31.111 31.823 0.105 0.000 0.779 167 V HN 0.467 nan 8.190 nan 0.000 0.495 168 H N 0.181 119.450 119.070 0.332 0.000 2.267 168 H HA -0.085 4.471 4.556 -0.000 0.000 0.297 168 H C 2.304 177.800 175.328 0.279 0.000 1.080 168 H CA 2.251 58.486 56.048 0.311 0.000 1.278 168 H CB -0.335 29.649 29.762 0.371 0.000 1.365 168 H HN 0.312 nan 8.280 nan 0.000 0.489 169 I N 0.854 121.641 120.570 0.362 0.000 2.252 169 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 169 I C 2.538 178.863 176.117 0.347 0.000 1.102 169 I CA 0.776 62.259 61.300 0.305 0.000 1.385 169 I CB -0.250 37.898 38.000 0.247 0.000 1.064 169 I HN 0.149 nan 8.210 nan 0.000 0.414 170 N N 1.394 120.300 118.700 0.344 0.000 2.036 170 N HA -0.212 4.528 4.740 -0.000 0.000 0.195 170 N C 1.853 177.722 175.510 0.599 0.000 1.037 170 N CA 2.193 55.527 53.050 0.473 0.000 0.855 170 N CB -0.243 38.503 38.487 0.433 0.000 1.033 170 N HN 0.365 nan 8.380 nan 0.000 0.423 171 A N 0.406 123.492 122.820 0.443 0.000 1.873 171 A HA 0.081 4.401 4.320 -0.000 0.000 0.215 171 A C 2.405 180.115 177.584 0.210 0.000 1.186 171 A CA 2.126 54.290 52.037 0.211 0.000 0.616 171 A CB -1.203 17.875 19.000 0.131 0.000 0.823 171 A HN 0.432 nan 8.150 nan 0.000 0.442 172 A N 0.119 123.125 122.820 0.311 0.000 1.892 172 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 172 A C 2.072 179.957 177.584 0.502 0.000 1.188 172 A CA 1.861 54.144 52.037 0.410 0.000 0.631 172 A CB -0.556 18.675 19.000 0.385 0.000 0.822 172 A HN 0.428 nan 8.150 nan 0.000 0.447 173 I N -0.353 120.503 120.570 0.477 0.000 2.163 173 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 173 I C 3.031 179.338 176.117 0.316 0.000 1.081 173 I CA 1.451 62.995 61.300 0.406 0.000 1.353 173 I CB -1.613 36.638 38.000 0.417 0.000 1.054 173 I HN 0.384 nan 8.210 nan 0.000 0.407 174 A N 0.963 123.967 122.820 0.308 0.000 1.917 174 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 174 A C 2.467 180.133 177.584 0.136 0.000 1.182 174 A CA 2.181 54.333 52.037 0.193 0.000 0.633 174 A CB -1.369 17.443 19.000 -0.312 0.000 0.819 174 A HN 0.467 nan 8.150 nan 0.000 0.448 175 G N -0.807 108.042 108.800 0.082 0.000 2.402 175 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 175 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 175 G C 1.546 176.443 174.900 -0.006 0.000 1.162 175 G CA 0.798 45.910 45.100 0.021 0.000 0.777 175 G HN 0.407 nan 8.290 nan 0.000 0.539 176 L N 0.685 121.943 121.223 0.059 0.000 2.046 176 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 176 L C 2.967 179.850 176.870 0.021 0.000 1.077 176 L CA 1.209 56.020 54.840 -0.049 0.000 0.747 176 L CB -0.327 41.624 42.059 -0.180 0.000 0.896 176 L HN 0.143 nan 8.230 nan 0.000 0.432 177 V N 0.110 120.100 119.914 0.127 0.000 2.295 177 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 177 V C 2.726 178.748 176.094 -0.121 0.000 1.049 177 V CA 1.840 64.244 62.300 0.173 0.000 1.024 177 V CB -1.365 30.646 31.823 0.313 0.000 0.648 177 V HN 0.624 nan 8.190 nan 0.000 0.447 178 G N -0.236 108.298 108.800 -0.443 0.000 2.459 178 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 178 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 178 G C 1.771 176.303 174.900 -0.613 0.000 1.183 178 G CA 1.185 45.576 45.100 -1.182 0.000 0.776 178 G HN 0.629 nan 8.290 nan 0.000 0.552 179 A N -0.451 122.144 122.820 -0.375 0.000 1.972 179 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 179 A C 2.239 179.656 177.584 -0.278 0.000 1.169 179 A CA 1.561 53.405 52.037 -0.323 0.000 0.635 179 A CB -0.561 18.249 19.000 -0.316 0.000 0.810 179 A HN 0.391 nan 8.150 nan 0.000 0.446 180 Y N -0.051 120.094 120.300 -0.259 0.000 2.145 180 Y HA -0.126 4.424 4.550 -0.000 0.000 0.286 180 Y C 2.228 178.013 175.900 -0.193 0.000 1.145 180 Y CA 1.663 59.643 58.100 -0.199 0.000 1.148 180 Y CB -0.429 37.945 38.460 -0.144 0.000 0.981 180 Y HN 0.208 nan 8.280 nan 0.000 0.507 181 L N -0.284 120.907 121.223 -0.054 0.000 2.027 181 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 181 L C 2.296 179.078 176.870 -0.147 0.000 1.074 181 L CA 1.635 56.406 54.840 -0.116 0.000 0.745 181 L CB -0.718 41.219 42.059 -0.203 0.000 0.898 181 L HN 0.279 nan 8.230 nan 0.000 0.433 182 I N -2.470 117.968 120.570 -0.220 0.000 2.830 182 I HA 0.244 4.414 4.170 -0.000 0.000 0.263 182 I C 1.171 177.197 176.117 -0.151 0.000 1.230 182 I CA 0.495 61.685 61.300 -0.182 0.000 1.480 182 I CB -0.869 37.003 38.000 -0.214 0.000 1.095 182 I HN 0.234 nan 8.210 nan 0.000 0.455 183 G N 1.751 110.453 108.800 -0.164 0.000 2.828 183 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.463 183 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.463 183 G C -0.599 174.161 174.900 -0.232 0.000 1.394 183 G CA -0.358 44.640 45.100 -0.170 0.000 0.862 183 G HN 0.500 nan 8.290 nan 0.000 0.540 184 K N 0.310 120.549 120.400 -0.268 0.000 2.258 184 K HA 0.357 4.677 4.320 -0.000 0.000 0.264 184 K C 1.204 177.689 176.600 -0.192 0.000 1.007 184 K CA -0.269 55.801 56.287 -0.361 0.000 0.941 184 K CB 0.611 32.823 32.500 -0.480 0.000 0.966 184 K HN 0.547 nan 8.250 nan 0.000 0.480 185 R N 0.561 120.952 120.500 -0.182 0.000 2.738 185 R HA 0.064 4.404 4.340 -0.000 0.000 0.268 185 R C -0.310 176.048 176.300 0.097 0.000 1.062 185 R CA -0.442 55.630 56.100 -0.047 0.000 1.158 185 R CB 0.434 30.663 30.300 -0.118 0.000 1.046 185 R HN 0.279 nan 8.270 nan 0.000 0.493 186 V N 2.294 122.289 119.914 0.136 0.000 2.529 186 V HA 0.160 4.280 4.120 -0.000 0.000 0.292 186 V C 1.390 177.642 176.094 0.263 0.000 1.028 186 V CA 1.530 63.921 62.300 0.151 0.000 1.074 186 V CB 0.607 32.490 31.823 0.100 0.000 0.958 186 V HN 1.140 nan 8.190 nan 0.000 0.481 187 G N 4.726 113.666 108.800 0.234 0.000 2.194 187 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 187 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 187 G C 0.151 175.272 174.900 0.369 0.000 0.987 187 G CA 0.021 45.267 45.100 0.244 0.000 0.635 187 G HN 0.832 nan 8.290 nan 0.000 0.520 188 F N 2.011 122.115 119.950 0.257 0.000 2.593 188 F HA 0.359 4.886 4.527 -0.000 0.000 0.393 188 F C 1.519 177.385 175.800 0.110 0.000 1.037 188 F CA 2.027 60.121 58.000 0.158 0.000 1.195 188 F CB 0.337 39.303 39.000 -0.058 0.000 1.034 188 F HN 1.182 nan 8.300 nan 0.000 0.552 189 G N 4.614 113.172 108.800 -0.403 0.000 2.201 189 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.212 189 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.212 189 G C 0.677 175.511 174.900 -0.110 0.000 0.994 189 G CA 0.332 45.259 45.100 -0.288 0.000 0.644 189 G HN 0.864 nan 8.290 nan 0.000 0.508 190 K N -0.878 119.496 120.400 -0.043 0.000 2.648 190 K HA 0.388 4.708 4.320 -0.000 0.000 0.194 190 K C 0.319 176.890 176.600 -0.049 0.000 1.721 190 K CA -0.056 56.211 56.287 -0.034 0.000 1.183 190 K CB 0.672 33.164 32.500 -0.014 0.000 1.618 190 K HN 0.172 nan 8.250 nan 0.000 0.595 191 E N 1.812 121.986 120.200 -0.044 0.000 2.319 191 E HA 0.507 4.857 4.350 -0.000 0.000 0.268 191 E C -1.069 175.347 176.600 -0.306 0.000 1.050 191 E CA -0.297 55.982 56.400 -0.202 0.000 0.878 191 E CB 1.481 30.996 29.700 -0.309 0.000 1.066 191 E HN 0.374 nan 8.360 nan 0.000 0.406 192 A N 3.238 125.835 122.820 -0.372 0.000 2.328 192 A HA 0.409 4.729 4.320 -0.000 0.000 0.284 192 A C -0.828 176.471 177.584 -0.475 0.000 1.160 192 A CA -0.215 51.657 52.037 -0.275 0.000 0.818 192 A CB -0.020 18.884 19.000 -0.161 0.000 1.087 192 A HN 0.640 nan 8.150 nan 0.000 0.504 193 F N 2.065 122.004 119.950 -0.019 0.000 2.739 193 F HA 0.227 4.754 4.527 -0.000 0.000 0.345 193 F C 0.508 176.311 175.800 0.005 0.000 1.373 193 F CA -0.351 57.650 58.000 0.002 0.000 1.160 193 F CB 0.705 39.713 39.000 0.014 0.000 1.137 193 F HN 0.498 nan 8.300 nan 0.000 0.524 194 K N 1.301 121.759 120.400 0.096 0.000 2.355 194 K HA 0.216 4.536 4.320 -0.000 0.000 0.270 194 K C -2.405 174.248 176.600 0.087 0.000 1.003 194 K CA -1.670 54.658 56.287 0.069 0.000 0.957 194 K CB -0.011 32.503 32.500 0.023 0.000 0.939 194 K HN -0.019 nan 8.250 nan 0.000 0.482 195 P HA -0.111 nan 4.420 nan 0.000 0.262 195 P C 0.221 177.548 177.300 0.046 0.000 1.182 195 P CA 0.315 63.439 63.100 0.040 0.000 0.761 195 P CB 0.330 32.011 31.700 -0.031 0.000 0.795 196 H N 2.414 121.497 119.070 0.021 0.000 2.403 196 H HA 0.018 4.574 4.556 -0.000 0.000 0.298 196 H C -0.112 175.215 175.328 -0.001 0.000 1.059 196 H CA 0.965 57.025 56.048 0.020 0.000 1.363 196 H CB 0.288 30.087 29.762 0.061 0.000 1.410 196 H HN 0.249 nan 8.280 nan 0.000 0.528 197 N N 0.612 118.864 118.700 -0.745 0.000 2.648 197 N HA 0.146 4.886 4.740 -0.000 0.000 0.261 197 N C 0.610 175.953 175.510 -0.278 0.000 1.138 197 N CA -0.241 52.483 53.050 -0.544 0.000 0.804 197 N CB 1.149 39.183 38.487 -0.755 0.000 1.237 197 N HN 0.188 nan 8.380 nan 0.000 0.532 198 L N 2.921 124.045 121.223 -0.166 0.000 2.056 198 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 198 L C -0.691 176.159 176.870 -0.034 0.000 1.078 198 L CA 1.190 55.973 54.840 -0.096 0.000 0.749 198 L CB -0.942 41.067 42.059 -0.083 0.000 0.901 198 L HN 0.382 nan 8.230 nan 0.000 0.433 199 P HA -0.226 nan 4.420 nan 0.000 0.219 199 P C 1.751 179.108 177.300 0.095 0.000 1.146 199 P CA 1.546 64.663 63.100 0.029 0.000 0.808 199 P CB -0.023 31.663 31.700 -0.024 0.000 0.779 200 M N -0.987 118.619 119.600 0.010 0.000 2.200 200 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 200 M C 1.547 177.867 176.300 0.032 0.000 1.066 200 M CA 1.675 56.987 55.300 0.020 0.000 1.127 200 M CB -0.330 32.257 32.600 -0.021 0.000 1.379 200 M HN -0.233 nan 8.290 nan 0.000 0.420 201 V N 0.482 120.396 119.914 -0.001 0.000 2.358 201 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 201 V C 2.156 178.326 176.094 0.125 0.000 1.047 201 V CA 1.929 64.219 62.300 -0.016 0.000 1.035 201 V CB -1.041 30.699 31.823 -0.139 0.000 0.658 201 V HN 0.599 nan 8.190 nan 0.000 0.452 202 F N 1.656 121.602 119.950 -0.006 0.000 2.134 202 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 202 F C 2.380 178.191 175.800 0.019 0.000 1.097 202 F CA 2.205 60.207 58.000 0.003 0.000 1.264 202 F CB -0.564 38.417 39.000 -0.032 0.000 1.001 202 F HN 0.132 nan 8.300 nan 0.000 0.479 203 T N -0.135 114.430 114.554 0.019 0.000 2.746 203 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 203 T C 2.178 176.790 174.700 -0.147 0.000 1.039 203 T CA 1.340 63.395 62.100 -0.075 0.000 1.142 203 T CB -1.208 67.695 68.868 0.058 0.000 0.866 203 T HN 0.463 nan 8.240 nan 0.000 0.444 204 G N 1.273 110.038 108.800 -0.058 0.000 2.402 204 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 204 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 204 G C 1.717 176.540 174.900 -0.128 0.000 1.162 204 G CA 1.363 46.428 45.100 -0.058 0.000 0.777 204 G HN 0.454 nan 8.290 nan 0.000 0.539 205 T N 1.778 116.282 114.554 -0.084 0.000 2.684 205 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 205 T C 2.818 177.361 174.700 -0.261 0.000 1.036 205 T CA 1.632 63.601 62.100 -0.219 0.000 1.148 205 T CB -0.413 68.362 68.868 -0.154 0.000 0.863 205 T HN 0.370 nan 8.240 nan 0.000 0.436 206 A N 1.042 123.633 122.820 -0.381 0.000 1.877 206 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 206 A C 2.322 179.849 177.584 -0.094 0.000 1.186 206 A CA 1.233 53.108 52.037 -0.270 0.000 0.620 206 A CB -0.817 17.911 19.000 -0.452 0.000 0.822 206 A HN 0.511 nan 8.150 nan 0.000 0.443 207 I N -0.498 119.948 120.570 -0.205 0.000 2.226 207 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 207 I C 2.428 178.378 176.117 -0.278 0.000 1.100 207 I CA 1.151 62.248 61.300 -0.338 0.000 1.374 207 I CB -0.307 37.310 38.000 -0.638 0.000 1.057 207 I HN 0.304 nan 8.210 nan 0.000 0.413 208 L N -0.558 120.533 121.223 -0.221 0.000 2.012 208 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 208 L C 2.675 179.605 176.870 0.101 0.000 1.073 208 L CA 1.580 56.353 54.840 -0.112 0.000 0.748 208 L CB -0.807 41.177 42.059 -0.124 0.000 0.891 208 L HN 0.257 nan 8.230 nan 0.000 0.431 209 Y N 0.731 120.995 120.300 -0.060 0.000 2.097 209 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 209 Y C 2.450 178.399 175.900 0.082 0.000 1.152 209 Y CA 1.610 59.676 58.100 -0.057 0.000 1.136 209 Y CB -0.221 38.176 38.460 -0.106 0.000 0.975 209 Y HN -0.018 nan 8.280 nan 0.000 0.498 210 I N 0.449 121.020 120.570 0.001 0.000 2.179 210 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 210 I C 2.730 178.983 176.117 0.227 0.000 1.088 210 I CA 1.681 63.054 61.300 0.121 0.000 1.357 210 I CB -2.154 35.977 38.000 0.219 0.000 1.051 210 I HN 0.416 nan 8.210 nan 0.000 0.409 211 G N -0.615 108.292 108.800 0.178 0.000 2.470 211 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 211 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 211 G C 1.506 176.450 174.900 0.074 0.000 1.121 211 G CA -0.081 45.116 45.100 0.162 0.000 0.766 211 G HN 0.390 nan 8.290 nan 0.000 0.553 212 W N 0.481 121.668 121.300 -0.189 0.000 2.611 212 W HA 0.090 4.750 4.660 -0.000 0.000 0.251 212 W C 1.388 177.743 176.519 -0.273 0.000 1.265 212 W CA 0.157 57.335 57.345 -0.278 0.000 1.295 212 W CB -0.254 28.930 29.460 -0.459 0.000 1.129 212 W HN 0.269 nan 8.180 nan 0.000 0.630 213 F N -0.172 119.823 119.950 0.075 0.000 2.325 213 F HA 0.003 4.530 4.527 -0.000 0.000 0.299 213 F C 2.565 178.449 175.800 0.140 0.000 1.090 213 F CA 1.596 59.572 58.000 -0.040 0.000 1.392 213 F CB -1.112 37.719 39.000 -0.282 0.000 1.053 213 F HN -0.196 nan 8.300 nan 0.000 0.521 214 G N -0.939 108.028 108.800 0.280 0.000 2.396 214 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 214 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 214 G C 1.614 176.711 174.900 0.327 0.000 1.166 214 G CA 0.239 45.469 45.100 0.216 0.000 0.793 214 G HN 0.291 nan 8.290 nan 0.000 0.533 215 F N 2.104 122.088 119.950 0.057 0.000 2.046 215 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 215 F C 2.548 178.536 175.800 0.313 0.000 1.123 215 F CA 2.089 60.059 58.000 -0.049 0.000 1.199 215 F CB -0.066 38.609 39.000 -0.541 0.000 0.972 215 F HN 0.050 nan 8.300 nan 0.000 0.474 216 N N 0.397 119.450 118.700 0.588 0.000 2.092 216 N HA -0.080 4.660 4.740 -0.000 0.000 0.189 216 N C 1.890 177.714 175.510 0.524 0.000 1.040 216 N CA 1.690 55.083 53.050 0.572 0.000 0.845 216 N CB -1.086 37.708 38.487 0.512 0.000 1.017 216 N HN 0.373 nan 8.380 nan 0.000 0.426 217 A N 0.428 123.533 122.820 0.475 0.000 1.930 217 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 217 A C 2.302 180.172 177.584 0.477 0.000 1.175 217 A CA 1.757 54.115 52.037 0.536 0.000 0.627 217 A CB -1.188 18.222 19.000 0.682 0.000 0.815 217 A HN 0.359 nan 8.150 nan 0.000 0.443 218 G N -0.583 108.397 108.800 0.300 0.000 2.450 218 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 218 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 218 G C 1.640 176.476 174.900 -0.107 0.000 1.130 218 G CA 1.222 46.312 45.100 -0.018 0.000 0.760 218 G HN 0.465 nan 8.290 nan 0.000 0.557 219 S N 0.565 116.311 115.700 0.076 0.000 2.528 219 S HA 0.058 4.528 4.470 -0.000 0.000 0.244 219 S C 2.448 176.784 174.600 -0.439 0.000 0.982 219 S CA 0.840 58.864 58.200 -0.294 0.000 0.953 219 S CB -0.144 62.728 63.200 -0.547 0.000 0.754 219 S HN 0.619 nan 8.310 nan 0.000 0.529 220 A N 0.355 123.166 122.820 -0.014 0.000 2.072 220 A HA 0.450 4.770 4.320 -0.000 0.000 0.216 220 A C 1.893 179.460 177.584 -0.027 0.000 1.156 220 A CA 0.976 53.081 52.037 0.114 0.000 0.701 220 A CB -0.731 18.434 19.000 0.275 0.000 0.816 220 A HN 0.849 nan 8.150 nan 0.000 0.458 221 G N -1.853 106.897 108.800 -0.083 0.000 2.184 221 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.264 221 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.264 221 G C 0.425 175.305 174.900 -0.032 0.000 0.975 221 G CA 1.302 46.321 45.100 -0.135 0.000 0.642 221 G HN 1.724 nan 8.290 nan 0.000 0.536 222 T N -2.243 112.336 114.554 0.042 0.000 2.886 222 T HA 0.668 5.018 4.350 -0.000 0.000 0.330 222 T C 0.022 174.589 174.700 -0.222 0.000 1.488 222 T CA 0.594 62.677 62.100 -0.029 0.000 1.054 222 T CB 1.014 69.841 68.868 -0.068 0.000 1.348 222 T HN 1.703 nan 8.240 nan 0.000 0.489 223 A N 3.927 126.465 122.820 -0.470 0.000 3.074 223 A HA 0.391 4.711 4.320 -0.000 0.000 0.251 223 A C 0.747 178.106 177.584 -0.375 0.000 1.695 223 A CA -0.403 51.160 52.037 -0.791 0.000 1.343 223 A CB -1.427 17.066 19.000 -0.846 0.000 1.078 223 A HN 0.797 nan 8.150 nan 0.000 0.644 224 N N -0.411 118.146 118.700 -0.239 0.000 2.593 224 N HA 0.078 4.818 4.740 -0.000 0.000 0.304 224 N C 0.988 176.436 175.510 -0.102 0.000 1.296 224 N CA -0.135 52.834 53.050 -0.135 0.000 0.950 224 N CB 0.173 38.612 38.487 -0.080 0.000 1.127 224 N HN 0.289 nan 8.380 nan 0.000 0.587 225 E N -0.108 120.054 120.200 -0.064 0.000 2.204 225 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 225 E C 1.424 178.008 176.600 -0.026 0.000 0.989 225 E CA 0.856 57.230 56.400 -0.045 0.000 0.824 225 E CB -0.245 29.433 29.700 -0.036 0.000 0.756 225 E HN 0.628 nan 8.360 nan 0.000 0.477 226 I N 1.552 122.113 120.570 -0.015 0.000 2.286 226 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 226 I C 2.690 178.824 176.117 0.029 0.000 1.104 226 I CA 1.117 62.408 61.300 -0.015 0.000 1.397 226 I CB -1.081 36.942 38.000 0.038 0.000 1.072 226 I HN 0.123 nan 8.210 nan 0.000 0.417 227 A N 1.158 124.023 122.820 0.075 0.000 1.972 227 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 227 A C 2.595 180.281 177.584 0.171 0.000 1.169 227 A CA 1.737 53.873 52.037 0.165 0.000 0.635 227 A CB -0.567 18.459 19.000 0.043 0.000 0.810 227 A HN 0.423 nan 8.150 nan 0.000 0.446 228 A N -0.327 122.527 122.820 0.057 0.000 1.855 228 A HA -0.003 4.316 4.320 -0.000 0.000 0.215 228 A C 2.126 179.777 177.584 0.112 0.000 1.191 228 A CA 1.669 53.737 52.037 0.052 0.000 0.613 228 A CB -0.714 18.271 19.000 -0.024 0.000 0.829 228 A HN 0.674 nan 8.150 nan 0.000 0.442 229 L N -0.058 121.196 121.223 0.052 0.000 2.012 229 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 229 L C 2.680 179.585 176.870 0.059 0.000 1.073 229 L CA 2.382 57.242 54.840 0.032 0.000 0.748 229 L CB -0.812 41.224 42.059 -0.038 0.000 0.891 229 L HN 0.355 nan 8.230 nan 0.000 0.431 230 A N -1.255 121.588 122.820 0.037 0.000 1.940 230 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 230 A C 2.253 179.972 177.584 0.226 0.000 1.176 230 A CA 1.845 53.922 52.037 0.066 0.000 0.631 230 A CB -1.139 17.905 19.000 0.073 0.000 0.814 230 A HN 0.531 nan 8.150 nan 0.000 0.446 231 F N 0.523 120.592 119.950 0.198 0.000 2.075 231 F HA -0.166 4.361 4.527 0.000 0.000 0.297 231 F C 2.383 178.351 175.800 0.279 0.000 1.113 231 F CA 2.044 60.233 58.000 0.316 0.000 1.218 231 F CB -0.371 38.779 39.000 0.249 0.000 0.984 231 F HN 0.036 nan 8.300 nan 0.000 0.472 232 V N 0.739 120.931 119.914 0.464 0.000 2.332 232 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 232 V C 2.143 178.352 176.094 0.191 0.000 1.055 232 V CA 2.132 64.616 62.300 0.307 0.000 1.038 232 V CB -0.847 31.086 31.823 0.184 0.000 0.651 232 V HN 0.371 nan 8.190 nan 0.000 0.450 233 N N 0.005 118.783 118.700 0.129 0.000 2.289 233 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 233 N C 1.865 177.397 175.510 0.037 0.000 1.016 233 N CA 1.819 54.904 53.050 0.059 0.000 0.872 233 N CB -0.449 38.053 38.487 0.025 0.000 0.973 233 N HN 0.499 nan 8.380 nan 0.000 0.433 234 T N 0.835 115.415 114.554 0.043 0.000 2.701 234 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 234 T C 2.226 176.938 174.700 0.021 0.000 1.040 234 T CA 0.849 62.902 62.100 -0.079 0.000 1.147 234 T CB -0.352 68.331 68.868 -0.308 0.000 0.865 234 T HN -0.049 nan 8.240 nan 0.000 0.426 235 V N 1.434 121.472 119.914 0.206 0.000 2.255 235 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 235 V C 2.685 178.863 176.094 0.139 0.000 1.051 235 V CA 1.548 64.024 62.300 0.293 0.000 1.018 235 V CB -0.892 31.129 31.823 0.329 0.000 0.641 235 V HN 0.298 nan 8.190 nan 0.000 0.445 236 V N 0.283 120.256 119.914 0.098 0.000 2.233 236 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 236 V C 2.752 178.845 176.094 -0.002 0.000 1.050 236 V CA 2.259 64.585 62.300 0.044 0.000 1.010 236 V CB -1.342 30.502 31.823 0.036 0.000 0.637 236 V HN 0.565 nan 8.190 nan 0.000 0.444 237 A N -0.235 122.569 122.820 -0.026 0.000 1.917 237 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 237 A C 2.383 179.911 177.584 -0.093 0.000 1.182 237 A CA 2.784 54.782 52.037 -0.065 0.000 0.633 237 A CB -1.173 17.778 19.000 -0.082 0.000 0.819 237 A HN 0.543 nan 8.150 nan 0.000 0.448 238 T N 0.293 114.778 114.554 -0.116 0.000 2.684 238 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 238 T C 2.218 176.827 174.700 -0.151 0.000 1.036 238 T CA 1.783 63.775 62.100 -0.179 0.000 1.148 238 T CB -0.519 68.233 68.868 -0.193 0.000 0.863 238 T HN 0.638 nan 8.240 nan 0.000 0.436 239 A N 1.587 124.353 122.820 -0.090 0.000 1.858 239 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 239 A C 2.703 180.264 177.584 -0.038 0.000 1.190 239 A CA 1.927 53.926 52.037 -0.064 0.000 0.617 239 A CB -1.288 17.703 19.000 -0.015 0.000 0.827 239 A HN 0.507 nan 8.150 nan 0.000 0.443 240 A N -0.137 122.671 122.820 -0.020 0.000 1.917 240 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 240 A C 2.509 180.102 177.584 0.015 0.000 1.182 240 A CA 2.483 54.523 52.037 0.005 0.000 0.633 240 A CB -1.071 17.924 19.000 -0.007 0.000 0.819 240 A HN 1.146 nan 8.150 nan 0.000 0.448 241 A N -0.491 122.321 122.820 -0.014 0.000 1.930 241 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 241 A C 2.122 179.733 177.584 0.044 0.000 1.175 241 A CA 1.380 53.427 52.037 0.017 0.000 0.627 241 A CB -0.539 18.442 19.000 -0.032 0.000 0.815 241 A HN 0.500 nan 8.150 nan 0.000 0.443 242 I N -0.284 120.264 120.570 -0.037 0.000 2.179 242 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 242 I C 2.374 178.471 176.117 -0.032 0.000 1.088 242 I CA 1.182 62.442 61.300 -0.066 0.000 1.357 242 I CB -0.274 37.645 38.000 -0.135 0.000 1.051 242 I HN 0.308 nan 8.210 nan 0.000 0.409 243 L N 0.089 121.287 121.223 -0.043 0.000 2.017 243 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 243 L C 2.702 179.607 176.870 0.058 0.000 1.073 243 L CA 1.604 56.385 54.840 -0.099 0.000 0.745 243 L CB -1.320 40.757 42.059 0.030 0.000 0.894 243 L HN 0.319 nan 8.230 nan 0.000 0.432 244 G N -0.535 108.358 108.800 0.156 0.000 2.459 244 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 244 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 244 G C 1.354 176.386 174.900 0.220 0.000 1.183 244 G CA 0.480 45.700 45.100 0.199 0.000 0.776 244 G HN 0.408 nan 8.290 nan 0.000 0.552 245 W N 1.066 122.384 121.300 0.030 0.000 2.354 245 W HA -0.080 4.580 4.660 -0.000 0.000 0.315 245 W C 2.297 178.836 176.519 0.034 0.000 1.206 245 W CA 0.885 58.248 57.345 0.029 0.000 1.290 245 W CB -0.575 28.880 29.460 -0.009 0.000 1.152 245 W HN 0.098 nan 8.180 nan 0.000 0.489 246 I N 0.548 121.295 120.570 0.296 0.000 2.091 246 I HA -0.335 3.835 4.170 -0.000 0.000 0.239 246 I C 2.427 178.688 176.117 0.239 0.000 1.061 246 I CA 1.692 63.069 61.300 0.128 0.000 1.317 246 I CB -1.824 36.084 38.000 -0.152 0.000 1.031 246 I HN -0.141 nan 8.210 nan 0.000 0.401 247 F N 0.913 121.042 119.950 0.297 0.000 2.171 247 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 247 F C 2.616 178.544 175.800 0.214 0.000 1.090 247 F CA 1.190 59.359 58.000 0.282 0.000 1.293 247 F CB -1.603 37.488 39.000 0.152 0.000 1.013 247 F HN 0.093 nan 8.300 nan 0.000 0.486 248 G N -0.887 108.106 108.800 0.323 0.000 2.418 248 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 248 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 248 G C 1.617 176.607 174.900 0.150 0.000 1.158 248 G CA 0.774 45.973 45.100 0.165 0.000 0.771 248 G HN 0.391 nan 8.290 nan 0.000 0.545 249 E N -1.056 119.250 120.200 0.176 0.000 2.150 249 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 249 E C 2.021 178.774 176.600 0.255 0.000 0.985 249 E CA 0.387 56.892 56.400 0.175 0.000 0.814 249 E CB -0.142 29.707 29.700 0.250 0.000 0.752 249 E HN 0.524 nan 8.360 nan 0.000 0.466 250 W N 1.058 122.430 121.300 0.119 0.000 2.381 250 W HA 0.002 4.662 4.660 -0.000 0.000 0.321 250 W C 2.250 178.825 176.519 0.093 0.000 1.196 250 W CA 1.780 59.193 57.345 0.115 0.000 1.304 250 W CB -0.977 28.584 29.460 0.169 0.000 1.166 250 W HN 0.112 nan 8.180 nan 0.000 0.473 251 A N -0.036 122.987 122.820 0.338 0.000 2.076 251 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 251 A C 2.131 179.787 177.584 0.120 0.000 1.160 251 A CA 1.742 53.862 52.037 0.139 0.000 0.653 251 A CB -0.752 18.289 19.000 0.070 0.000 0.801 251 A HN 0.393 nan 8.150 nan 0.000 0.455 252 L N -2.628 118.678 121.223 0.137 0.000 2.470 252 L HA 0.198 4.538 4.340 -0.000 0.000 0.219 252 L C 2.294 179.219 176.870 0.093 0.000 1.071 252 L CA 0.417 55.312 54.840 0.092 0.000 0.850 252 L CB 0.183 42.282 42.059 0.066 0.000 1.040 252 L HN 0.252 nan 8.230 nan 0.000 0.475 253 R N -1.690 118.884 120.500 0.123 0.000 2.394 253 R HA 0.313 4.653 4.340 -0.000 0.000 0.220 253 R C 1.147 177.519 176.300 0.121 0.000 0.887 253 R CA 0.618 56.779 56.100 0.102 0.000 1.034 253 R CB 1.033 31.382 30.300 0.082 0.000 1.179 253 R HN 0.328 nan 8.270 nan 0.000 0.561 254 G N 1.155 110.074 108.800 0.198 0.000 2.259 254 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 254 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 254 G C -0.026 175.025 174.900 0.251 0.000 1.001 254 G CA -0.267 44.979 45.100 0.243 0.000 0.627 254 G HN 0.191 nan 8.290 nan 0.000 0.501 255 K N 1.174 121.614 120.400 0.068 0.000 2.468 255 K HA 0.545 4.865 4.320 -0.000 0.000 0.252 255 K C -2.962 173.445 176.600 -0.321 0.000 0.932 255 K CA -1.930 54.230 56.287 -0.213 0.000 0.794 255 K CB 3.372 35.797 32.500 -0.125 0.000 1.241 255 K HN 0.004 nan 8.250 nan 0.000 0.428 256 P HA 0.056 nan 4.420 nan 0.000 0.287 256 P C -0.754 176.373 177.300 -0.288 0.000 1.307 256 P CA -0.395 62.436 63.100 -0.448 0.000 0.777 256 P CB 1.109 32.360 31.700 -0.749 0.000 0.883 257 S N 3.055 118.673 115.700 -0.136 0.000 2.672 257 S HA 0.270 4.739 4.470 -0.000 0.000 0.276 257 S C 1.180 175.710 174.600 -0.117 0.000 1.207 257 S CA -0.779 57.355 58.200 -0.109 0.000 1.002 257 S CB 0.998 64.172 63.200 -0.044 0.000 0.998 257 S HN 0.372 nan 8.310 nan 0.000 0.542 258 L N 0.995 122.152 121.223 -0.110 0.000 2.056 258 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 258 L C 2.173 178.989 176.870 -0.090 0.000 1.078 258 L CA 1.211 55.990 54.840 -0.102 0.000 0.749 258 L CB -0.487 41.512 42.059 -0.100 0.000 0.901 258 L HN 0.756 nan 8.230 nan 0.000 0.433 259 L N 0.234 121.406 121.223 -0.085 0.000 2.083 259 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 259 L C 2.299 179.037 176.870 -0.219 0.000 1.083 259 L CA 2.024 56.803 54.840 -0.101 0.000 0.752 259 L CB -1.410 40.611 42.059 -0.064 0.000 0.899 259 L HN 0.310 nan 8.230 nan 0.000 0.433 260 G N -1.161 107.521 108.800 -0.196 0.000 2.418 260 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 260 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 260 G C 1.602 176.096 174.900 -0.678 0.000 1.158 260 G CA 0.797 45.662 45.100 -0.392 0.000 0.771 260 G HN 0.606 nan 8.290 nan 0.000 0.545 261 A N -0.047 122.578 122.820 -0.325 0.000 1.898 261 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 261 A C 2.582 179.985 177.584 -0.302 0.000 1.181 261 A CA 1.760 53.638 52.037 -0.265 0.000 0.620 261 A CB -0.976 17.933 19.000 -0.151 0.000 0.819 261 A HN 0.416 nan 8.150 nan 0.000 0.442 262 C N -0.549 118.608 119.300 -0.238 0.000 2.429 262 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 262 C C 3.236 178.049 174.990 -0.295 0.000 1.262 262 C CA 1.370 60.286 59.018 -0.169 0.000 1.733 262 C CB -1.177 26.572 27.740 0.016 0.000 2.010 262 C HN 0.616 nan 8.230 nan 0.000 0.483 263 S N 0.631 116.015 115.700 -0.527 0.000 2.428 263 S HA -0.016 4.454 4.470 -0.000 0.000 0.230 263 S C 2.036 176.092 174.600 -0.906 0.000 1.014 263 S CA 1.224 58.965 58.200 -0.764 0.000 0.957 263 S CB -0.521 61.998 63.200 -1.135 0.000 0.784 263 S HN 0.764 nan 8.310 nan 0.000 0.499 264 G N 1.714 109.967 108.800 -0.911 0.000 2.402 264 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.216 264 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.216 264 G C 1.583 176.342 174.900 -0.235 0.000 1.162 264 G CA 0.813 45.740 45.100 -0.287 0.000 0.777 264 G HN 0.557 nan 8.290 nan 0.000 0.539 265 A N 1.291 123.918 122.820 -0.321 0.000 1.873 265 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 265 A C 2.341 179.684 177.584 -0.401 0.000 1.193 265 A CA 1.742 53.571 52.037 -0.345 0.000 0.629 265 A CB -0.387 18.393 19.000 -0.368 0.000 0.826 265 A HN 0.284 nan 8.150 nan 0.000 0.447 266 I N -0.043 120.278 120.570 -0.416 0.000 2.286 266 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 266 I C 2.920 178.773 176.117 -0.440 0.000 1.115 266 I CA 1.421 62.434 61.300 -0.480 0.000 1.392 266 I CB -1.808 35.922 38.000 -0.450 0.000 1.065 266 I HN 0.368 nan 8.210 nan 0.000 0.418 267 A N 1.279 123.935 122.820 -0.274 0.000 1.908 267 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 267 A C 2.534 180.011 177.584 -0.178 0.000 1.181 267 A CA 1.992 53.947 52.037 -0.136 0.000 0.627 267 A CB -1.318 17.761 19.000 0.132 0.000 0.818 267 A HN 0.429 nan 8.150 nan 0.000 0.445 268 G N -0.286 108.390 108.800 -0.206 0.000 2.414 268 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.215 268 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.215 268 G C 1.559 176.260 174.900 -0.330 0.000 1.188 268 G CA 0.955 45.930 45.100 -0.208 0.000 0.783 268 G HN 0.415 nan 8.290 nan 0.000 0.537 269 L N 0.220 121.102 121.223 -0.568 0.000 2.043 269 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 269 L C 2.991 179.405 176.870 -0.760 0.000 1.075 269 L CA 0.668 54.913 54.840 -0.992 0.000 0.752 269 L CB -0.449 40.505 42.059 -1.842 0.000 0.891 269 L HN 0.103 nan 8.230 nan 0.000 0.432 270 V N -0.220 119.342 119.914 -0.587 0.000 2.358 270 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 270 V C 2.559 178.564 176.094 -0.149 0.000 1.047 270 V CA 1.907 63.953 62.300 -0.423 0.000 1.035 270 V CB -1.044 30.494 31.823 -0.474 0.000 0.658 270 V HN 0.570 nan 8.190 nan 0.000 0.452 271 G N -0.954 107.770 108.800 -0.127 0.000 2.418 271 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 271 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 271 G C 1.677 176.607 174.900 0.049 0.000 1.158 271 G CA 1.163 46.254 45.100 -0.016 0.000 0.771 271 G HN 0.385 nan 8.290 nan 0.000 0.545 272 V N 0.535 120.455 119.914 0.009 0.000 3.235 272 V HA -0.019 4.101 4.120 -0.000 0.000 0.259 272 V C 2.868 179.088 176.094 0.210 0.000 1.133 272 V CA 1.971 64.314 62.300 0.071 0.000 1.128 272 V CB -0.459 31.360 31.823 -0.007 0.000 0.757 272 V HN 0.380 nan 8.190 nan 0.000 0.469 273 T N 2.084 116.816 114.554 0.296 0.000 2.565 273 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 273 T C -0.221 174.821 174.700 0.570 0.000 1.082 273 T CA 2.463 64.915 62.100 0.587 0.000 1.173 273 T CB -1.308 68.082 68.868 0.871 0.000 0.864 273 T HN 0.541 nan 8.240 nan 0.000 0.425 274 P HA 0.188 nan 4.420 nan 0.000 0.229 274 P C 0.900 178.512 177.300 0.521 0.000 1.160 274 P CA 0.973 64.383 63.100 0.517 0.000 0.777 274 P CB -0.044 31.911 31.700 0.424 0.000 0.814 275 A N 0.102 123.159 122.820 0.395 0.000 2.014 275 A HA -0.027 4.293 4.320 -0.000 0.000 0.210 275 A C 2.406 180.096 177.584 0.177 0.000 1.188 275 A CA 0.873 53.116 52.037 0.343 0.000 0.731 275 A CB -1.709 17.440 19.000 0.248 0.000 0.858 275 A HN 0.372 nan 8.150 nan 0.000 0.464 276 C N -0.911 118.459 119.300 0.116 0.000 2.381 276 C HA -0.158 4.302 4.460 -0.000 0.000 0.273 276 C C 2.439 177.226 174.990 -0.337 0.000 1.160 276 C CA 0.943 59.941 59.018 -0.033 0.000 1.817 276 C CB -1.791 26.004 27.740 0.091 0.000 2.123 276 C HN 0.555 nan 8.230 nan 0.000 0.464 277 G N -2.393 105.851 108.800 -0.927 0.000 3.042 277 G HA2 0.298 4.258 3.960 -0.000 0.000 0.212 277 G HA3 0.298 4.258 3.960 -0.000 0.000 0.212 277 G C 0.922 175.344 174.900 -0.797 0.000 1.166 277 G CA 0.427 44.666 45.100 -1.436 0.000 0.767 277 G HN 0.661 nan 8.290 nan 0.000 0.546 278 Y N 0.215 120.379 120.300 -0.228 0.000 2.498 278 Y HA 0.372 4.922 4.550 -0.000 0.000 0.259 278 Y C 1.402 177.276 175.900 -0.043 0.000 1.086 278 Y CA -1.318 56.739 58.100 -0.071 0.000 1.287 278 Y CB 0.200 38.683 38.460 0.038 0.000 1.146 278 Y HN 0.226 nan 8.280 nan 0.000 0.523 279 I N -2.070 118.563 120.570 0.105 0.000 3.205 279 I HA 0.892 5.062 4.170 -0.000 0.000 0.310 279 I C 0.593 176.726 176.117 0.026 0.000 1.089 279 I CA -1.132 60.218 61.300 0.084 0.000 1.023 279 I CB 1.214 39.275 38.000 0.102 0.000 1.269 279 I HN -0.033 nan 8.210 nan 0.000 0.512 280 G N 0.215 109.031 108.800 0.026 0.000 2.601 280 G HA2 0.397 4.357 3.960 -0.000 0.000 0.317 280 G HA3 0.397 4.357 3.960 -0.000 0.000 0.317 280 G C 0.372 175.264 174.900 -0.012 0.000 1.246 280 G CA -0.324 44.781 45.100 0.009 0.000 1.012 280 G HN 0.683 nan 8.290 nan 0.000 0.494 281 V N 0.778 120.689 119.914 -0.004 0.000 2.469 281 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 281 V C 2.525 178.596 176.094 -0.039 0.000 1.064 281 V CA 3.186 65.480 62.300 -0.009 0.000 1.066 281 V CB -0.758 31.071 31.823 0.011 0.000 0.667 281 V HN 0.831 nan 8.190 nan 0.000 0.461 282 G N -0.724 108.053 108.800 -0.038 0.000 2.402 282 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 282 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 282 G C 1.542 176.326 174.900 -0.194 0.000 1.162 282 G CA 0.743 45.806 45.100 -0.061 0.000 0.777 282 G HN 0.680 nan 8.290 nan 0.000 0.539 283 G N 0.888 109.522 108.800 -0.275 0.000 2.403 283 G HA2 0.144 4.104 3.960 -0.000 0.000 0.216 283 G HA3 0.144 4.104 3.960 -0.000 0.000 0.216 283 G C 2.024 176.628 174.900 -0.493 0.000 1.154 283 G CA 1.351 46.015 45.100 -0.727 0.000 0.784 283 G HN 0.588 nan 8.290 nan 0.000 0.538 284 A N 0.727 123.410 122.820 -0.227 0.000 1.883 284 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 284 A C 2.368 179.872 177.584 -0.133 0.000 1.186 284 A CA 1.552 53.508 52.037 -0.135 0.000 0.624 284 A CB -0.523 18.441 19.000 -0.060 0.000 0.822 284 A HN 0.409 nan 8.150 nan 0.000 0.444 285 L N -0.486 120.662 121.223 -0.126 0.000 2.012 285 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 285 L C 2.401 179.207 176.870 -0.107 0.000 1.073 285 L CA 1.819 56.607 54.840 -0.087 0.000 0.748 285 L CB -0.248 41.775 42.059 -0.061 0.000 0.891 285 L HN 0.459 nan 8.230 nan 0.000 0.431 286 I N -0.501 119.949 120.570 -0.199 0.000 2.202 286 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 286 I C 2.370 178.403 176.117 -0.140 0.000 1.091 286 I CA 1.512 62.701 61.300 -0.185 0.000 1.368 286 I CB -0.238 37.586 38.000 -0.294 0.000 1.058 286 I HN 0.219 nan 8.210 nan 0.000 0.410 287 I N 0.651 121.099 120.570 -0.203 0.000 2.286 287 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 287 I C 2.595 178.684 176.117 -0.046 0.000 1.115 287 I CA 1.600 62.849 61.300 -0.084 0.000 1.392 287 I CB -0.738 37.219 38.000 -0.071 0.000 1.065 287 I HN 0.282 nan 8.210 nan 0.000 0.418 288 G N 0.354 109.117 108.800 -0.062 0.000 2.511 288 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 288 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 288 G C 1.675 176.572 174.900 -0.006 0.000 1.218 288 G CA 1.093 46.168 45.100 -0.042 0.000 0.788 288 G HN 0.222 nan 8.290 nan 0.000 0.560 289 V N 0.541 120.457 119.914 0.004 0.000 2.250 289 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 289 V C 3.107 179.223 176.094 0.036 0.000 1.060 289 V CA 1.903 64.225 62.300 0.036 0.000 1.030 289 V CB -0.768 31.078 31.823 0.038 0.000 0.643 289 V HN 0.245 nan 8.190 nan 0.000 0.445 290 V N 0.147 120.074 119.914 0.021 0.000 2.332 290 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 290 V C 2.682 178.790 176.094 0.023 0.000 1.055 290 V CA 2.142 64.454 62.300 0.021 0.000 1.038 290 V CB -1.233 30.607 31.823 0.030 0.000 0.651 290 V HN 0.589 nan 8.190 nan 0.000 0.450 291 A N 0.437 123.273 122.820 0.026 0.000 1.933 291 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 291 A C 2.411 180.041 177.584 0.077 0.000 1.175 291 A CA 1.895 53.952 52.037 0.034 0.000 0.628 291 A CB -1.148 17.854 19.000 0.004 0.000 0.814 291 A HN 0.538 nan 8.150 nan 0.000 0.444 292 G N -0.211 108.649 108.800 0.099 0.000 2.418 292 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 292 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 292 G C 1.532 176.485 174.900 0.088 0.000 1.158 292 G CA 1.044 46.271 45.100 0.212 0.000 0.771 292 G HN 0.440 nan 8.290 nan 0.000 0.545 293 L N 0.522 121.754 121.223 0.015 0.000 2.109 293 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 293 L C 3.335 180.173 176.870 -0.054 0.000 1.086 293 L CA 0.792 55.594 54.840 -0.062 0.000 0.760 293 L CB -0.309 41.739 42.059 -0.019 0.000 0.910 293 L HN 0.279 nan 8.230 nan 0.000 0.437 294 A N 0.417 123.239 122.820 0.004 0.000 1.930 294 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 294 A C 2.393 180.052 177.584 0.125 0.000 1.175 294 A CA 1.606 53.687 52.037 0.073 0.000 0.627 294 A CB -1.114 17.915 19.000 0.047 0.000 0.815 294 A HN 0.422 nan 8.150 nan 0.000 0.443 295 G N -0.273 108.556 108.800 0.048 0.000 2.408 295 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 295 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 295 G C 1.479 176.177 174.900 -0.337 0.000 1.150 295 G CA 1.132 46.289 45.100 0.094 0.000 0.776 295 G HN 0.482 nan 8.290 nan 0.000 0.542 296 L N -0.598 120.092 121.223 -0.889 0.000 2.056 296 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 296 L C 2.429 179.094 176.870 -0.341 0.000 1.078 296 L CA 1.650 55.836 54.840 -1.089 0.000 0.749 296 L CB -0.562 40.817 42.059 -1.133 0.000 0.901 296 L HN 0.441 nan 8.230 nan 0.000 0.433 297 W N 0.309 121.434 121.300 -0.292 0.000 2.388 297 W HA -0.021 4.639 4.660 -0.000 0.000 0.294 297 W C 2.176 178.653 176.519 -0.071 0.000 1.212 297 W CA 1.887 59.150 57.345 -0.137 0.000 1.271 297 W CB -0.633 28.775 29.460 -0.087 0.000 1.126 297 W HN 0.200 nan 8.180 nan 0.000 0.535 298 G N 0.555 109.362 108.800 0.011 0.000 2.446 298 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 298 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 298 G C 1.305 176.128 174.900 -0.128 0.000 1.168 298 G CA 2.157 47.203 45.100 -0.090 0.000 0.771 298 G HN 0.559 nan 8.290 nan 0.000 0.551 299 V N -2.232 117.655 119.914 -0.045 0.000 3.649 299 V HA 0.270 4.390 4.120 -0.000 0.000 0.275 299 V C 1.788 177.855 176.094 -0.046 0.000 1.281 299 V CA 1.655 63.965 62.300 0.017 0.000 1.143 299 V CB 0.059 31.986 31.823 0.175 0.000 0.892 299 V HN 0.202 nan 8.190 nan 0.000 0.441 300 T N 0.003 114.468 114.554 -0.148 0.000 3.238 300 T HA 0.281 4.631 4.350 -0.000 0.000 0.242 300 T C 1.771 176.345 174.700 -0.210 0.000 0.980 300 T CA 0.991 63.007 62.100 -0.139 0.000 1.235 300 T CB 0.033 68.836 68.868 -0.109 0.000 1.069 300 T HN 0.235 nan 8.240 nan 0.000 0.407 301 M N 1.355 120.729 119.600 -0.378 0.000 2.191 301 M HA 0.244 4.724 4.480 -0.000 0.000 0.262 301 M C 2.338 178.337 176.300 -0.502 0.000 1.083 301 M CA 1.004 56.057 55.300 -0.411 0.000 1.154 301 M CB -1.182 31.131 32.600 -0.480 0.000 1.344 301 M HN 0.103 nan 8.290 nan 0.000 0.431 302 L N 0.829 121.520 121.223 -0.888 0.000 2.042 302 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 302 L C 2.473 179.175 176.870 -0.279 0.000 1.076 302 L CA 1.791 56.222 54.840 -0.682 0.000 0.749 302 L CB -0.551 40.955 42.059 -0.921 0.000 0.893 302 L HN 0.395 nan 8.230 nan 0.000 0.432 303 K N 0.421 120.689 120.400 -0.219 0.000 2.026 303 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 303 K C 2.111 178.667 176.600 -0.073 0.000 1.048 303 K CA 1.992 58.217 56.287 -0.103 0.000 0.929 303 K CB -0.020 32.446 32.500 -0.056 0.000 0.713 303 K HN 0.456 nan 8.250 nan 0.000 0.439 304 R N -0.058 120.398 120.500 -0.073 0.000 2.189 304 R HA -0.047 4.293 4.340 -0.000 0.000 0.218 304 R C 1.993 178.277 176.300 -0.027 0.000 1.074 304 R CA 0.688 56.772 56.100 -0.027 0.000 0.991 304 R CB -0.323 29.963 30.300 -0.023 0.000 0.883 304 R HN 0.044 nan 8.270 nan 0.000 0.457 305 L N 0.911 122.100 121.223 -0.058 0.000 2.072 305 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 305 L C 2.109 178.973 176.870 -0.010 0.000 1.079 305 L CA 1.403 56.228 54.840 -0.026 0.000 0.752 305 L CB -0.501 41.538 42.059 -0.032 0.000 0.906 305 L HN 0.199 nan 8.230 nan 0.000 0.436 306 L N -1.191 120.009 121.223 -0.039 0.000 2.291 306 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 306 L C 0.755 177.583 176.870 -0.070 0.000 1.120 306 L CA 0.175 54.989 54.840 -0.043 0.000 0.799 306 L CB -0.189 41.802 42.059 -0.114 0.000 0.925 306 L HN 0.291 nan 8.230 nan 0.000 0.446 307 R N -0.373 120.085 120.500 -0.070 0.000 3.422 307 R HA -0.143 4.197 4.340 -0.000 0.000 0.267 307 R C -0.973 175.196 176.300 -0.219 0.000 1.074 307 R CA 0.049 56.107 56.100 -0.071 0.000 0.718 307 R CB -2.082 28.213 30.300 -0.008 0.000 1.157 307 R HN 0.126 nan 8.270 nan 0.000 0.440 308 V N 0.461 120.181 119.914 -0.323 0.000 2.540 308 V HA 0.156 4.276 4.120 -0.000 0.000 0.302 308 V C 0.169 175.999 176.094 -0.441 0.000 1.035 308 V CA -0.712 61.283 62.300 -0.509 0.000 0.873 308 V CB 2.041 33.416 31.823 -0.747 0.000 0.992 308 V HN 0.052 nan 8.190 nan 0.000 0.428 309 D N 3.386 123.451 120.400 -0.557 0.000 2.517 309 D HA 0.141 4.781 4.640 -0.000 0.000 0.220 309 D C -0.471 175.627 176.300 -0.337 0.000 1.158 309 D CA -0.121 53.564 54.000 -0.524 0.000 0.992 309 D CB 0.319 40.638 40.800 -0.802 0.000 1.058 309 D HN 0.558 nan 8.370 nan 0.000 0.516 310 D N 3.847 124.107 120.400 -0.232 0.000 2.473 310 D HA 0.235 4.875 4.640 -0.000 0.000 0.226 310 D C -1.907 174.319 176.300 -0.122 0.000 1.089 310 D CA -2.339 51.558 54.000 -0.173 0.000 0.883 310 D CB 1.708 42.438 40.800 -0.115 0.000 1.029 310 D HN 0.130 nan 8.370 nan 0.000 0.517 311 P HA -0.015 nan 4.420 nan 0.000 0.220 311 P C 0.691 177.941 177.300 -0.084 0.000 1.148 311 P CA 0.653 63.678 63.100 -0.125 0.000 0.803 311 P CB 0.294 31.904 31.700 -0.150 0.000 0.782 312 C N -1.072 118.158 119.300 -0.118 0.000 2.778 312 C HA 0.218 4.678 4.460 -0.000 0.000 0.294 312 C C 0.229 175.276 174.990 0.095 0.000 1.331 312 C CA -0.648 58.333 59.018 -0.062 0.000 1.741 312 C CB -1.814 25.737 27.740 -0.316 0.000 2.106 312 C HN 0.312 nan 8.230 nan 0.000 0.603 313 D N 0.880 121.326 120.400 0.075 0.000 2.686 313 D HA -0.133 4.507 4.640 -0.000 0.000 0.235 313 D C 1.166 177.610 176.300 0.241 0.000 1.160 313 D CA 0.545 54.633 54.000 0.147 0.000 0.645 313 D CB -0.781 40.119 40.800 0.167 0.000 1.039 313 D HN 0.328 nan 8.370 nan 0.000 0.423 314 V N -0.635 119.421 119.914 0.237 0.000 2.287 314 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 314 V C 2.097 178.419 176.094 0.379 0.000 1.053 314 V CA 1.996 64.515 62.300 0.365 0.000 1.027 314 V CB -0.487 31.480 31.823 0.241 0.000 0.646 314 V HN 0.362 nan 8.190 nan 0.000 0.447 315 F N 1.858 121.910 119.950 0.170 0.000 2.163 315 F HA 0.054 4.581 4.527 -0.000 0.000 0.297 315 F C 2.293 178.189 175.800 0.161 0.000 1.094 315 F CA 1.436 59.535 58.000 0.165 0.000 1.290 315 F CB -0.830 38.232 39.000 0.104 0.000 1.017 315 F HN 0.152 nan 8.300 nan 0.000 0.483 316 G N -0.497 108.436 108.800 0.222 0.000 2.475 316 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 316 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 316 G C 1.462 176.415 174.900 0.089 0.000 1.125 316 G CA 1.497 46.676 45.100 0.132 0.000 0.755 316 G HN 0.355 nan 8.290 nan 0.000 0.565 317 V N -0.686 119.278 119.914 0.083 0.000 2.635 317 V HA 0.065 4.185 4.120 -0.000 0.000 0.233 317 V C 2.308 178.324 176.094 -0.129 0.000 1.097 317 V CA 0.851 63.144 62.300 -0.011 0.000 1.134 317 V CB -0.719 31.060 31.823 -0.073 0.000 0.841 317 V HN 0.316 nan 8.190 nan 0.000 0.496 318 H N 0.824 119.934 119.070 0.065 0.000 2.353 318 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 318 H C 2.336 177.665 175.328 0.001 0.000 1.090 318 H CA 1.889 57.984 56.048 0.078 0.000 1.327 318 H CB -0.545 29.351 29.762 0.224 0.000 1.383 318 H HN 0.489 nan 8.280 nan 0.000 0.508 319 G N 0.646 109.385 108.800 -0.103 0.000 2.464 319 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.214 319 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.214 319 G C 1.990 176.658 174.900 -0.388 0.000 1.218 319 G CA 1.199 45.997 45.100 -0.503 0.000 0.794 319 G HN 0.251 nan 8.290 nan 0.000 0.542 320 V N 0.717 120.407 119.914 -0.373 0.000 2.255 320 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 320 V C 3.074 179.167 176.094 -0.002 0.000 1.051 320 V CA 1.972 64.223 62.300 -0.083 0.000 1.018 320 V CB -0.765 31.107 31.823 0.082 0.000 0.641 320 V HN 0.525 nan 8.190 nan 0.000 0.445 321 C N 0.610 119.903 119.300 -0.010 0.000 2.446 321 C HA 0.070 4.530 4.460 -0.000 0.000 0.279 321 C C 2.849 177.856 174.990 0.030 0.000 1.366 321 C CA 0.288 59.307 59.018 0.003 0.000 1.763 321 C CB -1.696 26.018 27.740 -0.043 0.000 1.929 321 C HN 0.684 nan 8.230 nan 0.000 0.509 322 G N 1.016 109.847 108.800 0.053 0.000 2.414 322 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 322 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 322 G C 1.475 176.459 174.900 0.141 0.000 1.188 322 G CA 0.705 45.893 45.100 0.147 0.000 0.783 322 G HN 0.500 nan 8.290 nan 0.000 0.537 323 I N 0.294 120.925 120.570 0.101 0.000 2.163 323 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 323 I C 2.825 179.002 176.117 0.099 0.000 1.085 323 I CA 0.722 62.085 61.300 0.104 0.000 1.347 323 I CB -0.322 37.732 38.000 0.090 0.000 1.044 323 I HN 0.037 nan 8.210 nan 0.000 0.408 324 V N 0.931 120.893 119.914 0.080 0.000 2.261 324 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 324 V C 2.591 178.748 176.094 0.106 0.000 1.047 324 V CA 2.298 64.644 62.300 0.076 0.000 1.015 324 V CB -1.410 30.445 31.823 0.053 0.000 0.642 324 V HN 0.594 nan 8.190 nan 0.000 0.446 325 G N -1.411 107.457 108.800 0.113 0.000 2.442 325 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 325 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 325 G C 1.724 176.734 174.900 0.185 0.000 1.141 325 G CA 1.399 46.586 45.100 0.145 0.000 0.763 325 G HN 0.541 nan 8.290 nan 0.000 0.554 326 C N 0.167 119.575 119.300 0.180 0.000 2.446 326 C HA 0.118 4.578 4.460 -0.000 0.000 0.277 326 C C 2.849 177.932 174.990 0.156 0.000 1.275 326 C CA 0.390 59.518 59.018 0.184 0.000 1.727 326 C CB -0.899 26.941 27.740 0.167 0.000 2.010 326 C HN 0.477 nan 8.230 nan 0.000 0.486 327 I N 0.591 121.240 120.570 0.132 0.000 2.179 327 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 327 I C 2.479 178.675 176.117 0.131 0.000 1.088 327 I CA 1.696 63.062 61.300 0.110 0.000 1.357 327 I CB -0.463 37.588 38.000 0.086 0.000 1.051 327 I HN 0.308 nan 8.210 nan 0.000 0.409 328 M N -0.092 119.609 119.600 0.169 0.000 2.446 328 M HA -0.141 4.338 4.480 -0.000 0.000 0.263 328 M C 2.063 178.549 176.300 0.309 0.000 1.066 328 M CA 1.414 56.867 55.300 0.255 0.000 1.087 328 M CB -0.640 32.137 32.600 0.296 0.000 1.406 328 M HN 0.263 nan 8.290 nan 0.000 0.459 329 T N 0.023 114.725 114.554 0.247 0.000 2.857 329 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 329 T C 1.817 176.641 174.700 0.207 0.000 1.048 329 T CA 1.422 63.673 62.100 0.253 0.000 1.139 329 T CB -0.422 68.602 68.868 0.259 0.000 0.874 329 T HN 0.627 nan 8.240 nan 0.000 0.455 330 G N 0.516 109.418 108.800 0.171 0.000 2.559 330 G HA2 0.024 3.984 3.960 -0.000 0.000 0.216 330 G HA3 0.024 3.984 3.960 -0.000 0.000 0.216 330 G C 1.276 176.301 174.900 0.209 0.000 1.126 330 G CA 0.307 45.509 45.100 0.170 0.000 0.778 330 G HN 0.481 nan 8.290 nan 0.000 0.543 331 I N -1.364 119.276 120.570 0.117 0.000 2.900 331 I HA 0.215 4.385 4.170 -0.000 0.000 0.251 331 I C 1.593 177.621 176.117 -0.148 0.000 1.102 331 I CA 0.059 61.324 61.300 -0.057 0.000 1.457 331 I CB -0.065 37.758 38.000 -0.296 0.000 1.285 331 I HN -0.045 nan 8.210 nan 0.000 0.459 332 F N 1.578 121.576 119.950 0.080 0.000 2.771 332 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 332 F C 2.301 178.082 175.800 -0.031 0.000 1.177 332 F CA 0.630 58.648 58.000 0.029 0.000 1.450 332 F CB -0.663 38.362 39.000 0.042 0.000 1.114 332 F HN 0.013 nan 8.300 nan 0.000 0.587 333 A N 0.251 123.093 122.820 0.037 0.000 2.067 333 A HA 0.347 4.667 4.320 -0.000 0.000 0.217 333 A C 1.674 178.944 177.584 -0.523 0.000 1.156 333 A CA 0.493 52.441 52.037 -0.148 0.000 0.683 333 A CB -0.861 18.050 19.000 -0.149 0.000 0.808 333 A HN 0.157 nan 8.150 nan 0.000 0.455 334 A N 0.210 122.628 122.820 -0.670 0.000 2.561 334 A HA 0.320 4.639 4.320 -0.000 0.000 0.234 334 A C 1.474 178.874 177.584 -0.307 0.000 1.055 334 A CA 0.492 52.113 52.037 -0.694 0.000 0.756 334 A CB 0.040 18.912 19.000 -0.213 0.000 0.986 334 A HN 0.482 nan 8.150 nan 0.000 0.505 335 S N 1.604 117.156 115.700 -0.247 0.000 2.382 335 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 335 S C 2.177 176.749 174.600 -0.047 0.000 1.027 335 S CA 1.658 59.793 58.200 -0.108 0.000 0.991 335 S CB -0.449 62.712 63.200 -0.066 0.000 0.823 335 S HN 1.221 nan 8.310 nan 0.000 0.469 336 S N 1.388 117.067 115.700 -0.034 0.000 2.474 336 S HA 0.097 4.567 4.470 -0.000 0.000 0.235 336 S C 1.196 175.805 174.600 0.014 0.000 0.997 336 S CA 0.582 58.781 58.200 -0.001 0.000 0.949 336 S CB -0.465 62.741 63.200 0.010 0.000 0.766 336 S HN 0.463 nan 8.310 nan 0.000 0.517 337 L N 0.937 122.170 121.223 0.017 0.000 2.872 337 L HA 0.446 4.786 4.340 -0.000 0.000 0.245 337 L C 1.491 178.434 176.870 0.121 0.000 1.211 337 L CA 0.132 55.027 54.840 0.091 0.000 1.013 337 L CB -0.023 42.097 42.059 0.101 0.000 1.326 337 L HN 0.502 nan 8.230 nan 0.000 0.525 338 G N -0.104 108.729 108.800 0.055 0.000 2.148 338 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 338 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 338 G C 0.548 175.467 174.900 0.031 0.000 0.981 338 G CA -0.032 45.093 45.100 0.042 0.000 0.670 338 G HN 0.526 nan 8.290 nan 0.000 0.528 339 G N -1.508 107.300 108.800 0.014 0.000 2.557 339 G HA2 0.525 4.485 3.960 -0.000 0.000 0.292 339 G HA3 0.525 4.485 3.960 -0.000 0.000 0.292 339 G C 1.120 175.996 174.900 -0.040 0.000 1.237 339 G CA 0.354 45.451 45.100 -0.004 0.000 0.978 339 G HN 0.808 nan 8.290 nan 0.000 0.498 340 V N 0.166 120.068 119.914 -0.020 0.000 3.141 340 V HA 0.309 4.429 4.120 -0.000 0.000 0.265 340 V C 1.446 177.508 176.094 -0.054 0.000 1.126 340 V CA 1.952 64.249 62.300 -0.006 0.000 1.141 340 V CB -1.164 30.698 31.823 0.064 0.000 0.743 340 V HN 1.822 nan 8.190 nan 0.000 0.492 341 G N -0.882 107.807 108.800 -0.184 0.000 2.721 341 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 341 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 341 G C -0.565 174.188 174.900 -0.246 0.000 1.236 341 G CA -0.377 44.558 45.100 -0.275 0.000 0.786 341 G HN 0.222 nan 8.290 nan 0.000 0.616 342 F N 1.088 121.037 119.950 -0.003 0.000 2.373 342 F HA 0.649 5.176 4.527 -0.000 0.000 0.302 342 F C 1.424 177.213 175.800 -0.019 0.000 1.247 342 F CA 0.249 58.227 58.000 -0.036 0.000 1.169 342 F CB 0.187 39.149 39.000 -0.063 0.000 1.309 342 F HN 0.930 nan 8.300 nan 0.000 0.537 343 A N 0.191 123.122 122.820 0.186 0.000 2.407 343 A HA 0.197 4.517 4.320 -0.000 0.000 0.248 343 A C 0.155 177.789 177.584 0.083 0.000 1.082 343 A CA -0.537 51.557 52.037 0.096 0.000 0.785 343 A CB -0.317 18.712 19.000 0.048 0.000 1.020 343 A HN 0.794 nan 8.150 nan 0.000 0.489 344 E N 1.118 121.358 120.200 0.066 0.000 2.653 344 E HA 0.198 4.548 4.350 -0.000 0.000 0.264 344 E C 1.208 177.837 176.600 0.048 0.000 0.949 344 E CA 1.099 57.534 56.400 0.058 0.000 0.953 344 E CB -0.130 29.598 29.700 0.046 0.000 0.925 344 E HN 1.796 nan 8.360 nan 0.000 0.475 345 G N 2.383 111.215 108.800 0.054 0.000 2.184 345 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 345 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 345 G C 0.060 174.989 174.900 0.048 0.000 0.975 345 G CA 0.193 45.324 45.100 0.052 0.000 0.642 345 G HN 0.544 nan 8.290 nan 0.000 0.536 346 V N 1.729 121.644 119.914 0.002 0.000 2.472 346 V HA 0.742 4.862 4.120 -0.000 0.000 0.290 346 V C 0.922 176.914 176.094 -0.170 0.000 1.037 346 V CA 0.221 62.441 62.300 -0.134 0.000 0.908 346 V CB 1.700 33.315 31.823 -0.346 0.000 0.985 346 V HN 0.717 nan 8.190 nan 0.000 0.454 347 T N 1.821 116.254 114.554 -0.201 0.000 2.937 347 T HA 0.412 4.761 4.350 -0.000 0.000 0.283 347 T C 1.103 175.439 174.700 -0.607 0.000 1.012 347 T CA -0.532 61.416 62.100 -0.253 0.000 0.997 347 T CB 1.347 70.174 68.868 -0.068 0.000 1.136 347 T HN 0.512 nan 8.240 nan 0.000 0.551 348 M N 0.860 120.195 119.600 -0.442 0.000 2.065 348 M HA 0.018 4.498 4.480 -0.000 0.000 0.259 348 M C 2.323 178.475 176.300 -0.246 0.000 1.069 348 M CA 2.520 57.586 55.300 -0.389 0.000 1.110 348 M CB -1.135 31.463 32.600 -0.004 0.000 1.328 348 M HN 0.957 nan 8.290 nan 0.000 0.405 349 G N -1.164 107.558 108.800 -0.131 0.000 2.491 349 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 349 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 349 G C 1.218 176.083 174.900 -0.058 0.000 1.180 349 G CA 1.669 46.723 45.100 -0.077 0.000 0.774 349 G HN 0.717 nan 8.290 nan 0.000 0.562 350 H N -0.318 118.633 119.070 -0.198 0.000 2.265 350 H HA -0.194 4.362 4.556 -0.000 0.000 0.295 350 H C 2.738 177.946 175.328 -0.201 0.000 1.084 350 H CA 1.827 57.762 56.048 -0.187 0.000 1.261 350 H CB 0.083 29.724 29.762 -0.202 0.000 1.360 350 H HN 0.381 nan 8.280 nan 0.000 0.487 351 Q N 0.665 120.342 119.800 -0.205 0.000 2.135 351 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 351 Q C 2.471 178.423 176.000 -0.080 0.000 0.981 351 Q CA 1.487 57.152 55.803 -0.230 0.000 0.856 351 Q CB -0.307 28.186 28.738 -0.409 0.000 0.902 351 Q HN 0.580 nan 8.270 nan 0.000 0.425 352 L N -0.553 120.630 121.223 -0.068 0.000 2.131 352 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 352 L C 2.098 178.967 176.870 -0.002 0.000 1.092 352 L CA 0.870 55.700 54.840 -0.017 0.000 0.759 352 L CB -0.346 41.701 42.059 -0.020 0.000 0.903 352 L HN 0.298 nan 8.230 nan 0.000 0.435 353 L N -1.589 119.631 121.223 -0.005 0.000 2.056 353 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 353 L C 2.430 179.300 176.870 -0.000 0.000 1.078 353 L CA 0.646 55.482 54.840 -0.006 0.000 0.749 353 L CB -0.570 41.476 42.059 -0.022 0.000 0.901 353 L HN -0.001 nan 8.230 nan 0.000 0.433 354 V N -0.602 119.318 119.914 0.010 0.000 2.358 354 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 354 V C 2.613 178.722 176.094 0.025 0.000 1.047 354 V CA 1.367 63.672 62.300 0.008 0.000 1.035 354 V CB -0.510 31.320 31.823 0.012 0.000 0.658 354 V HN 0.459 nan 8.190 nan 0.000 0.452 355 Q N -0.173 119.646 119.800 0.031 0.000 2.050 355 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 355 Q C 2.274 178.309 176.000 0.059 0.000 0.980 355 Q CA 1.607 57.443 55.803 0.056 0.000 0.840 355 Q CB -0.577 28.202 28.738 0.068 0.000 0.898 355 Q HN 0.532 nan 8.270 nan 0.000 0.424 356 L N 0.607 121.859 121.223 0.047 0.000 2.093 356 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 356 L C 2.524 179.425 176.870 0.052 0.000 1.085 356 L CA 1.075 55.946 54.840 0.052 0.000 0.755 356 L CB -0.338 41.744 42.059 0.039 0.000 0.904 356 L HN 0.296 nan 8.230 nan 0.000 0.435 357 E N -0.156 120.065 120.200 0.036 0.000 2.077 357 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 357 E C 2.236 178.869 176.600 0.054 0.000 0.989 357 E CA 1.466 57.888 56.400 0.036 0.000 0.800 357 E CB 0.148 29.850 29.700 0.003 0.000 0.746 357 E HN 0.384 nan 8.360 nan 0.000 0.452 358 S N 0.541 116.271 115.700 0.050 0.000 2.368 358 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 358 S C 1.955 176.590 174.600 0.057 0.000 1.030 358 S CA 0.943 59.167 58.200 0.041 0.000 0.999 358 S CB -0.180 63.038 63.200 0.031 0.000 0.844 358 S HN 0.269 nan 8.310 nan 0.000 0.459 359 I N 1.687 122.305 120.570 0.080 0.000 2.142 359 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 359 I C 2.719 178.911 176.117 0.124 0.000 1.078 359 I CA 1.176 62.541 61.300 0.108 0.000 1.343 359 I CB -0.503 37.567 38.000 0.116 0.000 1.046 359 I HN 0.267 nan 8.210 nan 0.000 0.405 360 A N 0.796 123.683 122.820 0.111 0.000 1.940 360 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 360 A C 2.268 179.933 177.584 0.136 0.000 1.176 360 A CA 1.598 53.706 52.037 0.118 0.000 0.631 360 A CB -0.837 18.219 19.000 0.094 0.000 0.814 360 A HN 0.418 nan 8.150 nan 0.000 0.446 361 I N -0.703 119.945 120.570 0.130 0.000 2.353 361 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 361 I C 2.524 178.760 176.117 0.198 0.000 1.119 361 I CA 1.531 62.933 61.300 0.171 0.000 1.417 361 I CB -0.465 37.620 38.000 0.140 0.000 1.078 361 I HN 0.235 nan 8.210 nan 0.000 0.421 362 T N 1.220 115.855 114.554 0.135 0.000 2.674 362 T HA -0.117 4.232 4.350 -0.000 0.000 0.265 362 T C 1.955 176.799 174.700 0.241 0.000 1.039 362 T CA 1.392 63.578 62.100 0.143 0.000 1.150 362 T CB -0.295 68.632 68.868 0.098 0.000 0.864 362 T HN 0.191 nan 8.240 nan 0.000 0.427 363 I N 0.767 121.477 120.570 0.233 0.000 2.091 363 I HA -0.212 3.958 4.170 -0.000 0.000 0.239 363 I C 2.539 178.805 176.117 0.248 0.000 1.061 363 I CA 1.218 62.673 61.300 0.260 0.000 1.317 363 I CB -0.548 37.593 38.000 0.235 0.000 1.031 363 I HN 0.082 nan 8.210 nan 0.000 0.401 364 V N 0.148 120.188 119.914 0.211 0.000 2.261 364 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 364 V C 2.095 178.307 176.094 0.196 0.000 1.047 364 V CA 1.950 64.351 62.300 0.169 0.000 1.015 364 V CB -0.696 31.204 31.823 0.128 0.000 0.642 364 V HN 0.592 nan 8.190 nan 0.000 0.446 365 W N 0.541 121.879 121.300 0.062 0.000 2.329 365 W HA -0.245 4.415 4.660 0.000 0.000 0.324 365 W C 2.974 179.540 176.519 0.079 0.000 1.222 365 W CA 2.510 59.873 57.345 0.031 0.000 1.270 365 W CB -0.796 28.653 29.460 -0.018 0.000 1.167 365 W HN 0.345 nan 8.180 nan 0.000 0.467 366 S N 0.158 116.148 115.700 0.483 0.000 2.383 366 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 366 S C 2.026 176.931 174.600 0.509 0.000 1.030 366 S CA 2.073 60.591 58.200 0.530 0.000 1.002 366 S CB -0.927 62.640 63.200 0.610 0.000 0.829 366 S HN 0.339 nan 8.310 nan 0.000 0.467 367 G N 0.733 109.754 108.800 0.370 0.000 2.446 367 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 367 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 367 G C 1.481 176.542 174.900 0.269 0.000 1.168 367 G CA 1.209 46.492 45.100 0.305 0.000 0.771 367 G HN 0.478 nan 8.290 nan 0.000 0.551 368 V N 0.458 120.466 119.914 0.157 0.000 2.270 368 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 368 V C 3.035 179.237 176.094 0.181 0.000 1.043 368 V CA 1.467 63.819 62.300 0.087 0.000 1.014 368 V CB -0.572 31.206 31.823 -0.075 0.000 0.645 368 V HN 0.235 nan 8.190 nan 0.000 0.447 369 V N 0.538 120.537 119.914 0.140 0.000 2.287 369 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 369 V C 2.772 179.068 176.094 0.337 0.000 1.053 369 V CA 2.167 64.569 62.300 0.170 0.000 1.027 369 V CB -1.295 30.587 31.823 0.099 0.000 0.646 369 V HN 0.565 nan 8.190 nan 0.000 0.447 370 A N -0.403 122.731 122.820 0.525 0.000 1.892 370 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 370 A C 2.141 180.012 177.584 0.479 0.000 1.188 370 A CA 2.339 54.731 52.037 0.593 0.000 0.631 370 A CB -0.831 18.553 19.000 0.641 0.000 0.822 370 A HN 0.572 nan 8.150 nan 0.000 0.447 371 F N 0.352 120.501 119.950 0.332 0.000 2.171 371 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 371 F C 1.914 177.837 175.800 0.204 0.000 1.090 371 F CA 1.823 59.990 58.000 0.278 0.000 1.293 371 F CB -0.168 38.927 39.000 0.159 0.000 1.013 371 F HN 0.189 nan 8.300 nan 0.000 0.486 372 I N 0.105 120.864 120.570 0.314 0.000 2.252 372 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 372 I C 2.762 178.917 176.117 0.063 0.000 1.102 372 I CA 1.411 62.804 61.300 0.156 0.000 1.385 372 I CB -1.198 36.891 38.000 0.148 0.000 1.064 372 I HN 0.287 nan 8.210 nan 0.000 0.414 373 G N -0.026 108.830 108.800 0.093 0.000 2.421 373 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 373 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 373 G C 1.437 176.406 174.900 0.116 0.000 1.171 373 G CA 0.658 45.803 45.100 0.075 0.000 0.775 373 G HN 0.263 nan 8.290 nan 0.000 0.543 374 Y N 1.073 121.503 120.300 0.216 0.000 2.200 374 Y HA 0.034 4.584 4.550 -0.000 0.000 0.290 374 Y C 2.827 178.671 175.900 -0.094 0.000 1.137 374 Y CA 1.088 59.197 58.100 0.013 0.000 1.163 374 Y CB -0.030 38.372 38.460 -0.096 0.000 0.988 374 Y HN 0.014 nan 8.280 nan 0.000 0.518 375 K N -0.422 119.937 120.400 -0.069 0.000 2.097 375 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 375 K C 2.047 178.615 176.600 -0.053 0.000 1.050 375 K CA 0.620 56.812 56.287 -0.157 0.000 0.938 375 K CB -0.673 31.610 32.500 -0.362 0.000 0.718 375 K HN 0.245 nan 8.250 nan 0.000 0.442 376 L N 1.269 122.482 121.223 -0.016 0.000 2.046 376 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 376 L C 2.222 179.106 176.870 0.022 0.000 1.077 376 L CA 1.783 56.627 54.840 0.007 0.000 0.747 376 L CB -1.028 41.042 42.059 0.018 0.000 0.896 376 L HN 0.111 nan 8.230 nan 0.000 0.432 377 A N -1.274 121.574 122.820 0.048 0.000 1.930 377 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 377 A C 2.109 179.716 177.584 0.038 0.000 1.175 377 A CA 1.688 53.760 52.037 0.059 0.000 0.627 377 A CB -0.701 18.362 19.000 0.105 0.000 0.815 377 A HN 0.482 nan 8.150 nan 0.000 0.443 378 D N -0.495 119.920 120.400 0.024 0.000 2.183 378 D HA -0.043 4.597 4.640 -0.000 0.000 0.203 378 D C 1.742 178.041 176.300 -0.002 0.000 0.969 378 D CA 0.797 54.799 54.000 0.002 0.000 0.842 378 D CB -0.114 40.672 40.800 -0.022 0.000 0.957 378 D HN 0.394 nan 8.370 nan 0.000 0.484 379 L N -0.188 121.033 121.223 -0.003 0.000 2.209 379 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 379 L C 2.472 179.345 176.870 0.006 0.000 1.094 379 L CA 1.414 56.254 54.840 -0.001 0.000 0.790 379 L CB -0.262 41.794 42.059 -0.004 0.000 0.932 379 L HN 0.156 nan 8.230 nan 0.000 0.447 380 T N -3.339 111.222 114.554 0.012 0.000 2.781 380 T HA -0.071 4.279 4.350 -0.000 0.000 0.252 380 T C 1.430 176.141 174.700 0.018 0.000 1.039 380 T CA 1.246 63.356 62.100 0.016 0.000 1.147 380 T CB -0.487 68.393 68.868 0.020 0.000 0.865 380 T HN 0.155 nan 8.240 nan 0.000 0.423 381 V N -2.192 117.736 119.914 0.023 0.000 3.645 381 V HA 0.670 4.790 4.120 -0.000 0.000 0.275 381 V C 0.993 177.100 176.094 0.021 0.000 1.356 381 V CA 0.091 62.406 62.300 0.025 0.000 1.051 381 V CB -0.675 31.168 31.823 0.034 0.000 0.828 381 V HN 1.095 nan 8.190 nan 0.000 0.441 382 G N 0.308 109.118 108.800 0.017 0.000 3.039 382 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 382 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 382 G C -0.261 174.646 174.900 0.012 0.000 1.066 382 G CA -0.038 45.068 45.100 0.009 0.000 0.774 382 G HN 0.311 nan 8.290 nan 0.000 0.591 383 L N 1.055 122.279 121.223 0.002 0.000 2.049 383 L HA 0.171 4.511 4.340 -0.000 0.000 0.203 383 L C 2.112 178.971 176.870 -0.018 0.000 1.074 383 L CA 0.998 55.837 54.840 -0.003 0.000 0.749 383 L CB -0.043 42.001 42.059 -0.025 0.000 0.907 383 L HN 0.623 nan 8.230 nan 0.000 0.439 384 R N 0.116 120.600 120.500 -0.028 0.000 2.349 384 R HA 0.303 4.643 4.340 -0.000 0.000 0.299 384 R C -0.800 175.490 176.300 -0.016 0.000 1.027 384 R CA -0.379 55.703 56.100 -0.031 0.000 0.958 384 R CB 1.650 31.923 30.300 -0.045 0.000 1.047 384 R HN -0.143 nan 8.270 nan 0.000 0.468 385 V N 6.468 126.375 119.914 -0.013 0.000 2.686 385 V HA 0.216 4.336 4.120 -0.000 0.000 0.295 385 V C -1.825 174.264 176.094 -0.009 0.000 1.055 385 V CA -1.765 60.530 62.300 -0.007 0.000 1.050 385 V CB 1.339 33.158 31.823 -0.007 0.000 0.984 385 V HN 0.798 nan 8.190 nan 0.000 0.482 386 P HA 0.093 nan 4.420 nan 0.000 0.268 386 P C 0.665 177.964 177.300 -0.003 0.000 1.205 386 P CA 0.059 63.156 63.100 -0.005 0.000 0.771 386 P CB 0.567 32.265 31.700 -0.005 0.000 0.858 387 E N 1.531 121.731 120.200 0.000 0.000 2.108 387 E HA -0.262 4.088 4.350 -0.000 0.000 0.203 387 E C 1.587 178.191 176.600 0.007 0.000 1.022 387 E CA 1.496 57.900 56.400 0.007 0.000 0.823 387 E CB -0.047 29.659 29.700 0.009 0.000 0.744 387 E HN 0.559 nan 8.360 nan 0.000 0.456 388 E N 0.768 120.969 120.200 0.003 0.000 2.085 388 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 388 E C 2.089 178.688 176.600 -0.002 0.000 0.994 388 E CA 1.108 57.508 56.400 0.001 0.000 0.801 388 E CB -0.240 29.459 29.700 -0.002 0.000 0.743 388 E HN 0.460 nan 8.360 nan 0.000 0.453 389 Q N 0.284 120.081 119.800 -0.005 0.000 2.224 389 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 389 Q C 2.108 178.105 176.000 -0.006 0.000 0.970 389 Q CA 0.828 56.625 55.803 -0.011 0.000 0.865 389 Q CB 0.000 28.727 28.738 -0.018 0.000 0.922 389 Q HN 0.346 nan 8.270 nan 0.000 0.445 390 E N 1.066 121.268 120.200 0.004 0.000 2.072 390 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 390 E C 1.863 178.479 176.600 0.027 0.000 0.982 390 E CA 0.537 56.948 56.400 0.017 0.000 0.803 390 E CB 0.228 29.942 29.700 0.024 0.000 0.755 390 E HN 0.222 nan 8.360 nan 0.000 0.453 391 R N 0.249 120.762 120.500 0.021 0.000 2.115 391 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 391 R C 2.058 178.362 176.300 0.006 0.000 1.111 391 R CA 1.393 57.503 56.100 0.018 0.000 0.976 391 R CB -0.027 30.280 30.300 0.011 0.000 0.870 391 R HN 0.255 nan 8.270 nan 0.000 0.445 392 E N -0.212 119.988 120.200 0.000 0.000 2.299 392 E HA 0.086 4.436 4.350 -0.000 0.000 0.193 392 E C 0.403 176.999 176.600 -0.007 0.000 0.998 392 E CA 0.361 56.757 56.400 -0.006 0.000 0.851 392 E CB 0.418 30.112 29.700 -0.011 0.000 0.795 392 E HN 0.378 nan 8.360 nan 0.000 0.492 393 G N 0.356 109.155 108.800 -0.003 0.000 2.674 393 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 393 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 393 G C 0.047 174.937 174.900 -0.017 0.000 1.195 393 G CA -0.751 44.347 45.100 -0.004 0.000 0.776 393 G HN 0.079 nan 8.290 nan 0.000 0.654 394 L N 0.646 121.862 121.223 -0.011 0.000 2.240 394 L HA 0.060 4.400 4.340 -0.000 0.000 0.211 394 L C 2.376 179.210 176.870 -0.060 0.000 1.106 394 L CA 1.027 55.845 54.840 -0.037 0.000 0.793 394 L CB -0.343 41.717 42.059 0.001 0.000 0.927 394 L HN 0.599 nan 8.230 nan 0.000 0.446 395 D N 0.479 120.879 120.400 -0.001 0.000 2.104 395 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 395 D C 2.254 178.544 176.300 -0.016 0.000 0.994 395 D CA 1.855 55.876 54.000 0.034 0.000 0.830 395 D CB -0.290 40.511 40.800 0.001 0.000 0.959 395 D HN 0.314 nan 8.370 nan 0.000 0.452 396 V N -0.892 119.000 119.914 -0.036 0.000 2.591 396 V HA -0.036 4.084 4.120 -0.000 0.000 0.249 396 V C 1.854 177.909 176.094 -0.065 0.000 1.053 396 V CA 1.212 63.487 62.300 -0.041 0.000 1.068 396 V CB -0.460 31.344 31.823 -0.030 0.000 0.689 396 V HN 0.015 nan 8.190 nan 0.000 0.462 397 N N 1.076 119.726 118.700 -0.083 0.000 2.171 397 N HA -0.044 4.696 4.740 -0.000 0.000 0.184 397 N C 1.984 177.397 175.510 -0.161 0.000 1.021 397 N CA 1.881 54.873 53.050 -0.096 0.000 0.854 397 N CB 0.044 38.487 38.487 -0.073 0.000 0.994 397 N HN 0.551 nan 8.380 nan 0.000 0.426 398 S N -0.691 114.829 115.700 -0.301 0.000 2.483 398 S HA 0.101 4.571 4.470 -0.000 0.000 0.221 398 S C 0.822 175.000 174.600 -0.704 0.000 1.030 398 S CA 0.164 58.043 58.200 -0.534 0.000 0.925 398 S CB 0.296 63.038 63.200 -0.763 0.000 0.795 398 S HN 0.406 nan 8.310 nan 0.000 0.511 399 H N -0.074 118.922 119.070 -0.124 0.000 3.058 399 H HA 0.326 4.882 4.556 -0.000 0.000 0.266 399 H C 1.396 176.662 175.328 -0.102 0.000 1.135 399 H CA 0.321 56.279 56.048 -0.150 0.000 1.174 399 H CB -0.031 29.624 29.762 -0.178 0.000 1.581 399 H HN 0.393 nan 8.280 nan 0.000 0.553 400 G N 1.981 110.769 108.800 -0.020 0.000 2.356 400 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.296 400 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.296 400 G C -0.246 174.648 174.900 -0.011 0.000 1.022 400 G CA 0.698 45.786 45.100 -0.020 0.000 0.961 400 G HN 0.503 nan 8.290 nan 0.000 0.510 401 E N -1.132 119.063 120.200 -0.007 0.000 2.366 401 E HA 0.408 4.758 4.350 -0.000 0.000 0.278 401 E C -0.810 175.766 176.600 -0.041 0.000 0.923 401 E CA -1.038 55.347 56.400 -0.024 0.000 0.761 401 E CB 1.433 31.115 29.700 -0.030 0.000 1.231 401 E HN 0.142 nan 8.360 nan 0.000 0.443 402 N N 0.313 118.980 118.700 -0.055 0.000 2.372 402 N HA 0.385 5.125 4.740 -0.000 0.000 0.291 402 N C 0.107 175.534 175.510 -0.138 0.000 1.024 402 N CA -0.008 52.998 53.050 -0.073 0.000 0.873 402 N CB 1.630 40.095 38.487 -0.037 0.000 1.206 402 N HN 0.546 nan 8.380 nan 0.000 0.486 403 A N 2.897 125.566 122.820 -0.251 0.000 1.873 403 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 403 A C -0.264 176.955 177.584 -0.607 0.000 1.186 403 A CA 1.303 53.023 52.037 -0.528 0.000 0.616 403 A CB -0.433 18.059 19.000 -0.845 0.000 0.823 403 A HN 0.690 nan 8.150 nan 0.000 0.442 404 Y N 0.601 120.900 120.300 -0.002 0.000 2.328 404 Y HA 0.489 5.039 4.550 -0.000 0.000 0.333 404 Y C -0.169 175.733 175.900 0.003 0.000 0.958 404 Y CA -1.452 56.653 58.100 0.008 0.000 1.167 404 Y CB 0.968 39.439 38.460 0.018 0.000 1.151 404 Y HN 0.194 nan 8.280 nan 0.000 0.470 405 N N 0.899 119.680 118.700 0.135 0.000 2.453 405 N HA 0.672 5.412 4.740 -0.000 0.000 0.290 405 N C -0.139 175.412 175.510 0.068 0.000 1.250 405 N CA -0.826 52.270 53.050 0.076 0.000 0.815 405 N CB 1.769 40.279 38.487 0.037 0.000 1.381 405 N HN 0.692 nan 8.380 nan 0.000 0.510 406 A N 0.000 122.846 122.820 0.044 0.000 2.254 406 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 406 A CA 0.000 52.057 52.037 0.033 0.000 0.836 406 A CB 0.000 19.013 19.000 0.022 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486