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_F 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 0.000 175.390 175.328 0.104 0.000 0.993 -2 H CA 0.000 56.099 56.048 0.086 0.000 1.023 -2 H CB 0.000 29.804 29.762 0.071 0.000 1.292 -1 H N 3.041 122.262 119.070 0.251 0.000 2.466 -1 H HA -0.204 4.352 4.556 -0.000 0.000 0.297 -1 H C 0.780 176.266 175.328 0.264 0.000 1.113 -1 H CA 2.139 58.313 56.048 0.209 0.000 1.273 -1 H CB -0.336 29.533 29.762 0.178 0.000 1.371 -1 H HN 0.810 nan 8.280 nan 0.000 0.528 0 H N -0.632 118.205 119.070 -0.388 0.000 2.539 0 H HA 0.065 4.621 4.556 -0.000 0.000 0.269 0 H C 0.620 176.009 175.328 0.101 0.000 0.980 0 H CA -0.225 55.726 56.048 -0.162 0.000 1.152 0 H CB -0.902 28.708 29.762 -0.252 0.000 1.407 0 H HN 0.481 nan 8.280 nan 0.000 0.564 1 H N 1.648 120.551 119.070 -0.278 0.000 2.690 1 H HA 0.233 4.789 4.556 -0.000 0.000 0.365 1 H C -0.656 174.594 175.328 -0.130 0.000 1.142 1 H CA 0.265 56.109 56.048 -0.340 0.000 1.417 1 H CB 0.710 30.107 29.762 -0.609 0.000 1.446 1 H HN 0.620 nan 8.280 nan 0.000 0.599 2 H N 0.468 118.981 119.070 -0.928 0.000 3.046 2 H HA 0.580 5.136 4.556 -0.000 0.000 0.363 2 H C -1.408 173.518 175.328 -0.669 0.000 1.203 2 H CA -0.688 55.028 56.048 -0.552 0.000 1.169 2 H CB 0.628 30.245 29.762 -0.243 0.000 1.851 2 H HN 0.726 nan 8.280 nan 0.000 0.546 3 A N 1.619 124.305 122.820 -0.224 0.000 2.351 3 A HA 0.568 4.888 4.320 -0.000 0.000 0.257 3 A C 0.296 177.839 177.584 -0.069 0.000 1.087 3 A CA -0.103 51.851 52.037 -0.139 0.000 0.798 3 A CB 0.203 19.171 19.000 -0.053 0.000 1.033 3 A HN 1.036 nan 8.150 nan 0.000 0.488 4 V N -0.648 119.217 119.914 -0.083 0.000 2.612 4 V HA 0.802 4.922 4.120 -0.000 0.000 0.301 4 V C 0.514 176.500 176.094 -0.179 0.000 1.046 4 V CA -0.509 61.740 62.300 -0.085 0.000 0.946 4 V CB 0.814 32.607 31.823 -0.050 0.000 1.003 4 V HN 1.471 nan 8.190 nan 0.000 0.459 5 A N 2.434 125.051 122.820 -0.338 0.000 2.388 5 A HA 0.367 4.687 4.320 -0.000 0.000 0.257 5 A C 0.175 177.610 177.584 -0.250 0.000 1.095 5 A CA -0.229 51.532 52.037 -0.460 0.000 0.791 5 A CB 0.228 18.557 19.000 -1.117 0.000 1.029 5 A HN 1.005 nan 8.150 nan 0.000 0.489 6 D N 1.822 122.114 120.400 -0.180 0.000 2.380 6 D HA 0.157 4.797 4.640 -0.000 0.000 0.230 6 D C 0.853 177.111 176.300 -0.070 0.000 1.154 6 D CA -0.151 53.788 54.000 -0.101 0.000 0.859 6 D CB 0.719 41.470 40.800 -0.081 0.000 1.045 6 D HN 0.552 nan 8.370 nan 0.000 0.495 7 K N 2.242 122.620 120.400 -0.037 0.000 2.127 7 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 7 K C 1.810 178.420 176.600 0.016 0.000 1.047 7 K CA 1.668 57.960 56.287 0.008 0.000 0.927 7 K CB 0.088 32.601 32.500 0.021 0.000 0.716 7 K HN 0.464 nan 8.250 nan 0.000 0.450 8 A N 1.585 124.405 122.820 -0.001 0.000 1.902 8 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 8 A C 1.608 179.214 177.584 0.037 0.000 1.181 8 A CA 1.877 53.919 52.037 0.008 0.000 0.623 8 A CB -0.305 18.679 19.000 -0.026 0.000 0.818 8 A HN 0.194 nan 8.150 nan 0.000 0.443 9 D N 0.072 120.479 120.400 0.012 0.000 2.149 9 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 9 D C 1.626 177.967 176.300 0.069 0.000 0.972 9 D CA 0.895 54.920 54.000 0.043 0.000 0.835 9 D CB -0.386 40.401 40.800 -0.022 0.000 0.966 9 D HN 0.355 nan 8.370 nan 0.000 0.476 10 N N 1.311 120.033 118.700 0.037 0.000 2.043 10 N HA -0.153 4.587 4.740 -0.000 0.000 0.193 10 N C 1.875 177.430 175.510 0.075 0.000 1.037 10 N CA 1.472 54.559 53.050 0.062 0.000 0.851 10 N CB -0.519 38.030 38.487 0.104 0.000 1.027 10 N HN 0.115 nan 8.380 nan 0.000 0.422 11 A N 1.000 123.871 122.820 0.085 0.000 1.873 11 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 11 A C 2.189 179.840 177.584 0.112 0.000 1.193 11 A CA 1.484 53.573 52.037 0.087 0.000 0.629 11 A CB -1.156 17.893 19.000 0.083 0.000 0.826 11 A HN 0.324 nan 8.150 nan 0.000 0.447 12 F N -0.103 119.842 119.950 -0.008 0.000 2.134 12 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 12 F C 2.209 178.003 175.800 -0.009 0.000 1.097 12 F CA 1.957 59.955 58.000 -0.003 0.000 1.264 12 F CB -0.165 38.825 39.000 -0.017 0.000 1.001 12 F HN 0.098 nan 8.300 nan 0.000 0.479 13 M N -0.494 119.072 119.600 -0.057 0.000 2.229 13 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 13 M C 2.231 178.464 176.300 -0.112 0.000 1.063 13 M CA 1.430 56.602 55.300 -0.212 0.000 1.114 13 M CB -1.194 31.305 32.600 -0.168 0.000 1.387 13 M HN 0.290 nan 8.290 nan 0.000 0.420 14 M N -0.507 119.073 119.600 -0.032 0.000 2.200 14 M HA -0.134 4.346 4.480 -0.000 0.000 0.265 14 M C 1.856 178.152 176.300 -0.006 0.000 1.066 14 M CA 0.973 56.279 55.300 0.011 0.000 1.127 14 M CB -0.146 32.471 32.600 0.029 0.000 1.379 14 M HN 0.110 nan 8.290 nan 0.000 0.420 15 I N -0.462 120.079 120.570 -0.048 0.000 2.286 15 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 15 I C 2.413 178.492 176.117 -0.063 0.000 1.104 15 I CA 1.156 62.425 61.300 -0.051 0.000 1.397 15 I CB -1.508 36.467 38.000 -0.040 0.000 1.072 15 I HN 0.367 nan 8.210 nan 0.000 0.417 16 C N 0.787 119.988 119.300 -0.165 0.000 2.422 16 C HA -0.131 4.329 4.460 -0.000 0.000 0.279 16 C C 2.991 178.071 174.990 0.150 0.000 1.305 16 C CA 1.250 60.226 59.018 -0.069 0.000 1.757 16 C CB -1.151 26.443 27.740 -0.245 0.000 1.962 16 C HN 0.525 nan 8.230 nan 0.000 0.499 17 T N 1.049 115.705 114.554 0.171 0.000 2.737 17 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 17 T C 2.196 176.953 174.700 0.094 0.000 1.038 17 T CA 1.529 63.745 62.100 0.194 0.000 1.144 17 T CB -0.404 68.573 68.868 0.182 0.000 0.866 17 T HN 0.625 nan 8.240 nan 0.000 0.434 18 A N 1.389 124.244 122.820 0.059 0.000 1.883 18 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 18 A C 2.302 179.918 177.584 0.053 0.000 1.186 18 A CA 1.390 53.445 52.037 0.030 0.000 0.624 18 A CB -0.978 18.011 19.000 -0.018 0.000 0.822 18 A HN 0.470 nan 8.150 nan 0.000 0.444 19 L N -0.571 120.696 121.223 0.073 0.000 2.046 19 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 19 L C 2.521 179.480 176.870 0.149 0.000 1.077 19 L CA 1.115 56.047 54.840 0.154 0.000 0.747 19 L CB -0.495 41.657 42.059 0.154 0.000 0.896 19 L HN 0.265 nan 8.230 nan 0.000 0.432 20 V N -0.048 119.912 119.914 0.076 0.000 2.407 20 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 20 V C 2.345 178.427 176.094 -0.019 0.000 1.055 20 V CA 1.501 63.784 62.300 -0.027 0.000 1.049 20 V CB -0.391 31.344 31.823 -0.147 0.000 0.662 20 V HN 0.358 nan 8.190 nan 0.000 0.455 21 L N -1.347 119.911 121.223 0.058 0.000 2.131 21 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 21 L C 2.403 179.334 176.870 0.102 0.000 1.092 21 L CA 1.379 56.287 54.840 0.113 0.000 0.759 21 L CB -0.607 41.548 42.059 0.159 0.000 0.903 21 L HN 0.311 nan 8.230 nan 0.000 0.435 22 F N 0.989 120.898 119.950 -0.070 0.000 2.171 22 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 22 F C 2.403 178.130 175.800 -0.121 0.000 1.090 22 F CA 1.351 59.299 58.000 -0.086 0.000 1.293 22 F CB -0.364 38.607 39.000 -0.049 0.000 1.013 22 F HN 0.005 nan 8.300 nan 0.000 0.486 23 M N -1.018 118.508 119.600 -0.123 0.000 2.149 23 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 23 M C 1.835 177.968 176.300 -0.279 0.000 1.064 23 M CA 2.201 57.328 55.300 -0.289 0.000 1.102 23 M CB -0.855 31.529 32.600 -0.360 0.000 1.369 23 M HN 0.013 nan 8.290 nan 0.000 0.408 24 T N 0.354 114.789 114.554 -0.198 0.000 2.814 24 T HA 0.135 4.485 4.350 -0.000 0.000 0.254 24 T C 0.876 175.436 174.700 -0.233 0.000 1.037 24 T CA 0.612 62.602 62.100 -0.182 0.000 1.143 24 T CB 0.234 69.064 68.868 -0.064 0.000 0.866 24 T HN 0.053 nan 8.240 nan 0.000 0.431 25 I N 3.458 123.868 120.570 -0.267 0.000 2.347 25 I HA 0.275 4.444 4.170 -0.000 0.000 0.283 25 I C -2.080 173.996 176.117 -0.069 0.000 1.058 25 I CA -2.836 58.303 61.300 -0.268 0.000 1.202 25 I CB 0.882 38.579 38.000 -0.506 0.000 1.386 25 I HN 0.086 nan 8.210 nan 0.000 0.475 26 P HA 0.179 nan 4.420 nan 0.000 0.282 26 P C 1.322 178.499 177.300 -0.205 0.000 1.327 26 P CA 0.134 63.142 63.100 -0.153 0.000 0.949 26 P CB 0.969 32.618 31.700 -0.084 0.000 1.445 27 G N 2.155 110.761 108.800 -0.324 0.000 2.802 27 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.222 27 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.222 27 G C 1.333 176.095 174.900 -0.231 0.000 1.248 27 G CA 1.368 46.272 45.100 -0.327 0.000 0.787 27 G HN 0.286 nan 8.290 nan 0.000 0.643 28 I N 1.780 122.189 120.570 -0.268 0.000 2.286 28 I HA -0.010 4.160 4.170 -0.000 0.000 0.248 28 I C 3.045 179.048 176.117 -0.191 0.000 1.115 28 I CA 1.520 62.626 61.300 -0.324 0.000 1.392 28 I CB -0.462 37.321 38.000 -0.362 0.000 1.065 28 I HN 0.254 nan 8.210 nan 0.000 0.418 29 A N 0.058 122.821 122.820 -0.094 0.000 1.902 29 A HA -0.141 4.178 4.320 -0.000 0.000 0.217 29 A C 2.287 179.894 177.584 0.038 0.000 1.181 29 A CA 1.738 53.775 52.037 0.001 0.000 0.623 29 A CB -0.904 18.079 19.000 -0.028 0.000 0.818 29 A HN 0.478 nan 8.150 nan 0.000 0.443 30 L N -2.227 118.999 121.223 0.005 0.000 2.109 30 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 30 L C 2.461 179.376 176.870 0.075 0.000 1.086 30 L CA 1.240 56.101 54.840 0.034 0.000 0.760 30 L CB -0.528 41.529 42.059 -0.003 0.000 0.910 30 L HN 0.510 nan 8.230 nan 0.000 0.437 31 F N 0.186 120.071 119.950 -0.108 0.000 2.075 31 F HA -0.291 4.236 4.527 -0.000 0.000 0.297 31 F C 2.446 178.278 175.800 0.053 0.000 1.113 31 F CA 1.689 59.631 58.000 -0.097 0.000 1.218 31 F CB -0.341 38.515 39.000 -0.240 0.000 0.984 31 F HN -0.065 nan 8.300 nan 0.000 0.472 32 Y N 0.792 121.154 120.300 0.103 0.000 2.242 32 Y HA 0.039 4.589 4.550 -0.000 0.000 0.291 32 Y C 2.742 178.637 175.900 -0.008 0.000 1.137 32 Y CA 0.601 58.703 58.100 0.003 0.000 1.181 32 Y CB -1.576 36.947 38.460 0.106 0.000 0.989 32 Y HN 0.158 nan 8.280 nan 0.000 0.527 33 G N -0.269 108.650 108.800 0.198 0.000 2.476 33 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 33 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 33 G C 2.093 177.132 174.900 0.232 0.000 1.164 33 G CA 1.110 46.312 45.100 0.169 0.000 0.768 33 G HN 0.520 nan 8.290 nan 0.000 0.560 34 G N 0.466 109.349 108.800 0.137 0.000 2.422 34 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 34 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 34 G C 1.780 176.714 174.900 0.057 0.000 1.140 34 G CA 0.539 45.674 45.100 0.058 0.000 0.775 34 G HN 0.428 nan 8.290 nan 0.000 0.545 35 L N 0.636 121.854 121.223 -0.010 0.000 2.201 35 L HA 0.171 4.511 4.340 -0.000 0.000 0.212 35 L C 1.703 178.611 176.870 0.064 0.000 1.105 35 L CA 0.236 55.056 54.840 -0.033 0.000 0.775 35 L CB -0.273 41.715 42.059 -0.119 0.000 0.913 35 L HN 0.393 nan 8.230 nan 0.000 0.440 36 I N -2.801 117.841 120.570 0.120 0.000 3.210 36 I HA 0.324 4.494 4.170 -0.000 0.000 0.316 36 I C 0.260 176.457 176.117 0.134 0.000 1.067 36 I CA -1.041 60.326 61.300 0.111 0.000 1.047 36 I CB 0.848 38.885 38.000 0.062 0.000 1.352 36 I HN -0.136 nan 8.210 nan 0.000 0.565 37 R N 1.161 121.698 120.500 0.061 0.000 2.641 37 R HA 0.232 4.572 4.340 -0.000 0.000 0.269 37 R C 1.363 177.523 176.300 -0.232 0.000 1.074 37 R CA 0.348 56.447 56.100 -0.002 0.000 1.133 37 R CB 0.546 30.859 30.300 0.020 0.000 1.029 37 R HN 0.921 nan 8.270 nan 0.000 0.488 38 G N 2.044 110.677 108.800 -0.278 0.000 2.469 38 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.220 38 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.220 38 G C 1.085 175.871 174.900 -0.189 0.000 1.136 38 G CA 1.093 45.983 45.100 -0.350 0.000 0.759 38 G HN 0.706 nan 8.290 nan 0.000 0.562 39 K N -0.258 120.083 120.400 -0.099 0.000 2.442 39 K HA 0.044 4.364 4.320 -0.000 0.000 0.198 39 K C 1.044 177.607 176.600 -0.062 0.000 1.042 39 K CA 1.185 57.435 56.287 -0.062 0.000 0.958 39 K CB 0.025 32.507 32.500 -0.030 0.000 0.766 39 K HN 0.202 nan 8.250 nan 0.000 0.474 40 N N 0.591 119.242 118.700 -0.082 0.000 2.159 40 N HA -0.020 4.720 4.740 -0.000 0.000 0.217 40 N C 1.206 176.678 175.510 -0.065 0.000 1.223 40 N CA 0.065 53.089 53.050 -0.043 0.000 0.896 40 N CB 1.057 39.542 38.487 -0.003 0.000 1.064 40 N HN 0.012 nan 8.380 nan 0.000 0.518 41 V N 1.628 121.456 119.914 -0.144 0.000 2.287 41 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 41 V C 2.009 178.051 176.094 -0.087 0.000 1.053 41 V CA 1.594 63.826 62.300 -0.112 0.000 1.027 41 V CB -0.243 31.481 31.823 -0.166 0.000 0.646 41 V HN 0.195 nan 8.190 nan 0.000 0.447 42 L N 0.843 121.986 121.223 -0.133 0.000 2.042 42 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 42 L C 2.831 179.560 176.870 -0.235 0.000 1.076 42 L CA 1.988 56.725 54.840 -0.171 0.000 0.749 42 L CB -1.034 40.917 42.059 -0.179 0.000 0.893 42 L HN 0.621 nan 8.230 nan 0.000 0.432 43 S N -0.049 115.570 115.700 -0.134 0.000 2.383 43 S HA -0.277 4.193 4.470 -0.000 0.000 0.229 43 S C 1.976 176.558 174.600 -0.029 0.000 1.030 43 S CA 1.505 59.653 58.200 -0.086 0.000 1.002 43 S CB -0.438 62.869 63.200 0.178 0.000 0.829 43 S HN 0.336 nan 8.310 nan 0.000 0.467 44 M N 1.736 121.339 119.600 0.005 0.000 2.175 44 M HA 0.229 4.709 4.480 -0.000 0.000 0.264 44 M C 1.845 178.173 176.300 0.046 0.000 1.063 44 M CA 1.368 56.704 55.300 0.060 0.000 1.119 44 M CB -0.794 31.858 32.600 0.085 0.000 1.377 44 M HN 0.373 nan 8.290 nan 0.000 0.415 45 L N -1.333 119.877 121.223 -0.021 0.000 2.072 45 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 45 L C 2.058 178.893 176.870 -0.059 0.000 1.079 45 L CA 1.523 56.341 54.840 -0.036 0.000 0.752 45 L CB -1.317 40.704 42.059 -0.064 0.000 0.906 45 L HN 0.278 nan 8.230 nan 0.000 0.436 46 T N -1.149 113.310 114.554 -0.158 0.000 2.867 46 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 46 T C 1.902 176.646 174.700 0.074 0.000 1.057 46 T CA 1.044 63.024 62.100 -0.199 0.000 1.136 46 T CB -0.091 68.362 68.868 -0.693 0.000 0.874 46 T HN 0.316 nan 8.240 nan 0.000 0.466 47 Q N 0.210 120.113 119.800 0.171 0.000 2.079 47 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 47 Q C 2.531 178.669 176.000 0.229 0.000 0.974 47 Q CA 1.063 57.081 55.803 0.358 0.000 0.840 47 Q CB -0.225 28.685 28.738 0.288 0.000 0.898 47 Q HN 0.339 nan 8.270 nan 0.000 0.430 48 V N 0.163 120.168 119.914 0.152 0.000 2.307 48 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 48 V C 2.141 178.315 176.094 0.133 0.000 1.045 48 V CA 2.123 64.498 62.300 0.125 0.000 1.024 48 V CB -0.865 31.003 31.823 0.075 0.000 0.651 48 V HN 0.433 nan 8.190 nan 0.000 0.449 49 T N 0.330 114.936 114.554 0.087 0.000 2.652 49 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 49 T C 1.938 176.762 174.700 0.207 0.000 1.039 49 T CA 1.870 64.022 62.100 0.087 0.000 1.153 49 T CB -0.348 68.535 68.868 0.025 0.000 0.863 49 T HN 0.280 nan 8.240 nan 0.000 0.428 50 V N 2.175 122.223 119.914 0.224 0.000 2.358 50 V HA -0.176 3.943 4.120 -0.000 0.000 0.246 50 V C 3.055 179.264 176.094 0.192 0.000 1.047 50 V CA 2.094 64.542 62.300 0.247 0.000 1.035 50 V CB -1.437 30.627 31.823 0.402 0.000 0.658 50 V HN 0.759 nan 8.190 nan 0.000 0.452 51 T N -1.290 113.371 114.554 0.179 0.000 2.746 51 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 51 T C 1.833 176.614 174.700 0.134 0.000 1.039 51 T CA 1.822 63.998 62.100 0.125 0.000 1.142 51 T CB -0.701 68.237 68.868 0.117 0.000 0.866 51 T HN 0.415 nan 8.240 nan 0.000 0.444 52 F N 2.835 122.799 119.950 0.023 0.000 2.095 52 F HA 0.073 4.599 4.527 -0.000 0.000 0.298 52 F C 2.658 178.459 175.800 0.002 0.000 1.104 52 F CA 1.261 59.258 58.000 -0.005 0.000 1.232 52 F CB -0.840 38.155 39.000 -0.007 0.000 0.987 52 F HN 0.267 nan 8.300 nan 0.000 0.475 53 A N 0.517 123.453 122.820 0.194 0.000 1.883 53 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 53 A C 2.118 179.679 177.584 -0.039 0.000 1.186 53 A CA 1.829 53.902 52.037 0.061 0.000 0.624 53 A CB -1.336 17.757 19.000 0.155 0.000 0.822 53 A HN 0.527 nan 8.150 nan 0.000 0.444 54 L N -0.137 121.089 121.223 0.006 0.000 2.012 54 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 54 L C 2.463 179.305 176.870 -0.047 0.000 1.073 54 L CA 1.960 56.797 54.840 -0.005 0.000 0.748 54 L CB -0.553 41.519 42.059 0.021 0.000 0.891 54 L HN 0.168 nan 8.230 nan 0.000 0.431 55 V N -1.090 118.776 119.914 -0.080 0.000 2.287 55 V HA -0.393 3.726 4.120 -0.000 0.000 0.248 55 V C 2.655 178.675 176.094 -0.124 0.000 1.053 55 V CA 1.958 64.197 62.300 -0.102 0.000 1.027 55 V CB -0.808 30.920 31.823 -0.159 0.000 0.646 55 V HN 0.660 nan 8.190 nan 0.000 0.447 56 C N -0.142 119.006 119.300 -0.252 0.000 2.398 56 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 56 C C 2.573 177.524 174.990 -0.065 0.000 1.222 56 C CA 0.825 59.709 59.018 -0.223 0.000 1.746 56 C CB -1.073 26.451 27.740 -0.359 0.000 2.039 56 C HN 0.488 nan 8.230 nan 0.000 0.470 57 I N 0.597 121.125 120.570 -0.069 0.000 2.202 57 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 57 I C 2.446 178.513 176.117 -0.084 0.000 1.091 57 I CA 1.580 62.852 61.300 -0.046 0.000 1.368 57 I CB -1.527 36.457 38.000 -0.027 0.000 1.058 57 I HN 0.364 nan 8.210 nan 0.000 0.410 58 L N -0.778 120.375 121.223 -0.116 0.000 2.079 58 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 58 L C 2.625 179.260 176.870 -0.392 0.000 1.081 58 L CA 1.538 56.186 54.840 -0.322 0.000 0.752 58 L CB -0.593 41.337 42.059 -0.214 0.000 0.896 58 L HN 0.474 nan 8.230 nan 0.000 0.433 59 W N 1.111 122.242 121.300 -0.283 0.000 2.354 59 W HA -0.229 4.431 4.660 -0.000 0.000 0.315 59 W C 2.454 178.915 176.519 -0.098 0.000 1.206 59 W CA 2.583 59.836 57.345 -0.154 0.000 1.290 59 W CB -0.148 29.256 29.460 -0.093 0.000 1.152 59 W HN 0.166 nan 8.180 nan 0.000 0.489 60 V N -0.399 119.514 119.914 -0.000 0.000 2.427 60 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 60 V C 1.944 177.977 176.094 -0.103 0.000 1.051 60 V CA 1.909 64.156 62.300 -0.088 0.000 1.048 60 V CB -1.275 30.525 31.823 -0.039 0.000 0.666 60 V HN 0.018 nan 8.190 nan 0.000 0.456 61 V N 1.047 120.890 119.914 -0.119 0.000 2.295 61 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 61 V C 2.301 178.416 176.094 0.035 0.000 1.049 61 V CA 2.974 65.242 62.300 -0.053 0.000 1.024 61 V CB -0.826 30.975 31.823 -0.037 0.000 0.648 61 V HN 0.944 nan 8.190 nan 0.000 0.447 62 Y N -2.669 117.628 120.300 -0.005 0.000 2.506 62 Y HA 0.505 5.055 4.550 -0.000 0.000 0.290 62 Y C 1.898 177.750 175.900 -0.080 0.000 1.003 62 Y CA 0.192 58.284 58.100 -0.015 0.000 1.082 62 Y CB -0.691 37.773 38.460 0.007 0.000 1.399 62 Y HN -0.028 nan 8.280 nan 0.000 0.586 63 G N 1.615 110.253 108.800 -0.270 0.000 2.599 63 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.219 63 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.219 63 G C 1.481 175.975 174.900 -0.678 0.000 1.193 63 G CA 1.973 46.914 45.100 -0.264 0.000 0.778 63 G HN 0.532 nan 8.290 nan 0.000 0.589 64 Y N 1.412 120.954 120.300 -1.264 0.000 2.145 64 Y HA -0.117 4.433 4.550 -0.000 0.000 0.286 64 Y C 3.206 179.036 175.900 -0.118 0.000 1.145 64 Y CA 1.856 59.366 58.100 -0.983 0.000 1.148 64 Y CB -0.602 37.368 38.460 -0.816 0.000 0.981 64 Y HN 0.249 nan 8.280 nan 0.000 0.507 65 S N -0.139 115.588 115.700 0.046 0.000 2.359 65 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 65 S C 2.006 176.596 174.600 -0.016 0.000 1.035 65 S CA 1.842 60.146 58.200 0.174 0.000 1.018 65 S CB -0.620 62.705 63.200 0.208 0.000 0.876 65 S HN 0.525 nan 8.310 nan 0.000 0.448 66 L N 0.505 121.722 121.223 -0.010 0.000 2.291 66 L HA 0.070 4.410 4.340 -0.000 0.000 0.214 66 L C 2.659 179.465 176.870 -0.107 0.000 1.120 66 L CA 0.888 55.724 54.840 -0.006 0.000 0.799 66 L CB -0.425 41.715 42.059 0.136 0.000 0.925 66 L HN 0.404 nan 8.230 nan 0.000 0.446 67 A N -0.772 121.947 122.820 -0.168 0.000 1.911 67 A HA -0.001 4.319 4.320 -0.000 0.000 0.212 67 A C 1.686 179.010 177.584 -0.434 0.000 1.189 67 A CA 0.971 52.839 52.037 -0.281 0.000 0.639 67 A CB -0.269 18.616 19.000 -0.193 0.000 0.839 67 A HN 0.324 nan 8.150 nan 0.000 0.449 68 F N -0.152 119.710 119.950 -0.146 0.000 2.704 68 F HA 0.307 4.833 4.527 -0.000 0.000 0.304 68 F C 1.701 177.548 175.800 0.078 0.000 1.094 68 F CA -0.251 57.714 58.000 -0.058 0.000 1.275 68 F CB -0.048 38.814 39.000 -0.230 0.000 1.073 68 F HN 0.230 nan 8.300 nan 0.000 0.586 69 G N 0.856 109.682 108.800 0.043 0.000 2.684 69 G HA2 0.244 4.204 3.960 -0.000 0.000 0.255 69 G HA3 0.244 4.204 3.960 -0.000 0.000 0.255 69 G C -0.362 174.473 174.900 -0.108 0.000 1.219 69 G CA -0.535 44.366 45.100 -0.331 0.000 0.901 69 G HN 0.372 nan 8.290 nan 0.000 0.548 70 E N -0.420 119.672 120.200 -0.180 0.000 2.229 70 E HA 0.580 4.930 4.350 -0.000 0.000 0.283 70 E C 0.374 176.945 176.600 -0.049 0.000 1.030 70 E CA -0.498 55.877 56.400 -0.041 0.000 0.836 70 E CB 1.295 30.970 29.700 -0.042 0.000 1.068 70 E HN 0.565 nan 8.360 nan 0.000 0.401 71 G N 3.215 112.035 108.800 0.033 0.000 3.039 71 G HA2 0.204 4.164 3.960 -0.000 0.000 0.202 71 G HA3 0.204 4.164 3.960 -0.000 0.000 0.202 71 G C -0.467 174.439 174.900 0.009 0.000 1.151 71 G CA -0.357 44.725 45.100 -0.030 0.000 0.836 71 G HN 0.618 nan 8.290 nan 0.000 0.598 72 N N -0.199 118.488 118.700 -0.021 0.000 2.370 72 N HA 0.156 4.896 4.740 -0.000 0.000 0.265 72 N C 0.638 176.120 175.510 -0.047 0.000 1.338 72 N CA -0.028 53.008 53.050 -0.023 0.000 0.913 72 N CB 0.201 38.694 38.487 0.009 0.000 1.094 72 N HN 0.263 nan 8.380 nan 0.000 0.438 73 N N -1.554 116.958 118.700 -0.312 0.000 2.236 73 N HA 0.248 4.988 4.740 -0.000 0.000 0.196 73 N C -0.163 174.929 175.510 -0.697 0.000 1.114 73 N CA 0.197 52.916 53.050 -0.550 0.000 0.859 73 N CB 0.303 38.298 38.487 -0.819 0.000 0.982 73 N HN 0.388 nan 8.380 nan 0.000 0.493 74 F N -1.492 118.485 119.950 0.045 0.000 2.496 74 F HA 0.357 4.884 4.527 -0.000 0.000 0.274 74 F C 0.444 175.935 175.800 -0.516 0.000 0.924 74 F CA -0.336 57.590 58.000 -0.122 0.000 1.147 74 F CB 0.279 39.346 39.000 0.110 0.000 0.969 74 F HN -0.242 nan 8.300 nan 0.000 0.749 75 F N -0.026 119.719 119.950 -0.342 0.000 2.594 75 F HA 0.663 5.190 4.527 -0.000 0.000 0.335 75 F C 1.090 176.372 175.800 -0.864 0.000 1.058 75 F CA -0.738 56.944 58.000 -0.531 0.000 0.981 75 F CB 1.019 39.893 39.000 -0.210 0.000 1.289 75 F HN -0.052 nan 8.300 nan 0.000 0.490 76 G N 0.034 108.609 108.800 -0.374 0.000 3.226 76 G HA2 0.318 4.278 3.960 -0.000 0.000 0.190 76 G HA3 0.318 4.278 3.960 -0.000 0.000 0.190 76 G C -0.894 173.916 174.900 -0.150 0.000 1.988 76 G CA -0.321 44.627 45.100 -0.253 0.000 0.859 76 G HN 0.735 nan 8.290 nan 0.000 0.631 77 N N -1.455 117.149 118.700 -0.160 0.000 2.934 77 N HA 0.286 5.026 4.740 -0.000 0.000 0.253 77 N C -0.252 175.177 175.510 -0.135 0.000 1.466 77 N CA -0.631 52.323 53.050 -0.161 0.000 0.858 77 N CB 1.766 40.122 38.487 -0.218 0.000 1.459 77 N HN 0.444 nan 8.380 nan 0.000 0.532 78 I N -2.655 117.849 120.570 -0.109 0.000 3.874 78 I HA 0.253 4.423 4.170 -0.000 0.000 0.331 78 I C 0.510 176.598 176.117 -0.048 0.000 1.489 78 I CA -0.612 60.657 61.300 -0.051 0.000 1.187 78 I CB -0.624 37.352 38.000 -0.040 0.000 1.150 78 I HN 0.426 nan 8.210 nan 0.000 0.412 79 N N 1.020 119.629 118.700 -0.151 0.000 2.270 79 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 79 N C 0.226 175.760 175.510 0.040 0.000 1.016 79 N CA 0.895 53.848 53.050 -0.162 0.000 0.870 79 N CB 0.064 38.299 38.487 -0.419 0.000 0.979 79 N HN 0.529 nan 8.380 nan 0.000 0.431 80 W N 1.991 123.323 121.300 0.054 0.000 2.987 80 W HA 0.315 4.974 4.660 -0.000 0.000 0.441 80 W C -0.091 176.460 176.519 0.054 0.000 0.853 80 W CA -0.825 56.563 57.345 0.072 0.000 2.222 80 W CB -0.817 28.720 29.460 0.128 0.000 1.139 80 W HN -0.023 nan 8.180 nan 0.000 0.819 81 L N 2.525 123.883 121.223 0.225 0.000 2.534 81 L HA -0.035 4.305 4.340 -0.000 0.000 0.271 81 L C 1.142 178.089 176.870 0.129 0.000 1.178 81 L CA 0.876 55.810 54.840 0.157 0.000 0.907 81 L CB 0.237 42.364 42.059 0.113 0.000 1.164 81 L HN 0.214 nan 8.230 nan 0.000 0.482 82 M N 5.602 125.257 119.600 0.091 0.000 2.576 82 M HA -0.268 4.212 4.480 -0.000 0.000 0.200 82 M C 0.862 177.181 176.300 0.032 0.000 0.487 82 M CA 0.538 55.865 55.300 0.047 0.000 0.553 82 M CB -1.143 31.489 32.600 0.053 0.000 2.042 82 M HN 0.774 nan 8.290 nan 0.000 0.758 83 L N -2.004 119.236 121.223 0.028 0.000 4.291 83 L HA -0.252 4.088 4.340 -0.000 0.000 0.413 83 L C 0.832 177.739 176.870 0.063 0.000 1.162 83 L CA 1.577 56.392 54.840 -0.041 0.000 0.961 83 L CB -2.025 39.893 42.059 -0.234 0.000 2.095 83 L HN 0.667 nan 8.230 nan 0.000 0.838 84 K N 0.380 120.865 120.400 0.143 0.000 2.202 84 K HA 0.318 4.638 4.320 -0.000 0.000 0.264 84 K C 1.044 177.802 176.600 0.262 0.000 1.010 84 K CA 0.234 56.618 56.287 0.162 0.000 0.940 84 K CB 0.731 33.313 32.500 0.137 0.000 0.983 84 K HN 0.208 nan 8.250 nan 0.000 0.475 85 N N -0.114 118.719 118.700 0.222 0.000 2.984 85 N HA -0.177 4.563 4.740 -0.000 0.000 0.227 85 N C -0.879 174.785 175.510 0.257 0.000 0.903 85 N CA 1.347 54.570 53.050 0.287 0.000 0.995 85 N CB -1.300 37.423 38.487 0.395 0.000 1.065 85 N HN 0.669 nan 8.380 nan 0.000 0.585 86 I N 2.347 122.978 120.570 0.102 0.000 2.337 86 I HA 0.113 4.283 4.170 -0.000 0.000 0.285 86 I C 0.441 176.614 176.117 0.093 0.000 1.041 86 I CA -0.321 60.960 61.300 -0.032 0.000 1.199 86 I CB 0.742 38.570 38.000 -0.287 0.000 1.370 86 I HN -0.076 nan 8.210 nan 0.000 0.470 87 E N 4.388 124.627 120.200 0.065 0.000 2.392 87 E HA -0.040 4.310 4.350 -0.000 0.000 0.264 87 E C 0.923 177.506 176.600 -0.027 0.000 1.024 87 E CA -0.345 56.068 56.400 0.021 0.000 0.903 87 E CB 1.289 30.990 29.700 0.002 0.000 0.963 87 E HN 0.473 nan 8.360 nan 0.000 0.432 88 L N 3.556 124.678 121.223 -0.168 0.000 2.189 88 L HA -0.200 4.140 4.340 -0.000 0.000 0.214 88 L C 1.961 178.644 176.870 -0.311 0.000 1.097 88 L CA 2.361 56.950 54.840 -0.419 0.000 0.764 88 L CB -0.604 41.172 42.059 -0.472 0.000 0.900 88 L HN 0.719 nan 8.230 nan 0.000 0.436 89 T N -3.036 111.432 114.554 -0.143 0.000 3.107 89 T HA 0.398 4.748 4.350 -0.000 0.000 0.249 89 T C 0.932 175.740 174.700 0.180 0.000 1.096 89 T CA 0.122 62.231 62.100 0.016 0.000 1.012 89 T CB -0.583 68.277 68.868 -0.014 0.000 0.977 89 T HN 0.401 nan 8.240 nan 0.000 0.527 90 A N 1.631 124.509 122.820 0.097 0.000 2.566 90 A HA 0.457 4.777 4.320 -0.000 0.000 0.245 90 A C 0.238 177.892 177.584 0.116 0.000 1.056 90 A CA -0.175 51.911 52.037 0.083 0.000 0.757 90 A CB -0.174 18.857 19.000 0.051 0.000 0.979 90 A HN 0.372 nan 8.150 nan 0.000 0.508 91 V N 4.333 124.269 119.914 0.037 0.000 2.427 91 V HA 0.475 4.595 4.120 -0.000 0.000 0.286 91 V C 0.072 176.139 176.094 -0.046 0.000 1.034 91 V CA -0.260 62.016 62.300 -0.040 0.000 0.893 91 V CB 1.388 33.150 31.823 -0.102 0.000 0.982 91 V HN 0.959 nan 8.190 nan 0.000 0.452 92 M N 5.408 124.959 119.600 -0.080 0.000 2.046 92 M HA 0.690 5.170 4.480 -0.000 0.000 0.309 92 M C 0.457 176.669 176.300 -0.148 0.000 0.935 92 M CA 1.020 56.247 55.300 -0.123 0.000 0.915 92 M CB 0.615 33.101 32.600 -0.190 0.000 1.474 92 M HN 0.976 nan 8.290 nan 0.000 0.415 93 G N 3.099 111.827 108.800 -0.119 0.000 2.595 93 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.297 93 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.297 93 G C 0.356 175.192 174.900 -0.107 0.000 1.181 93 G CA 0.555 45.589 45.100 -0.111 0.000 0.963 93 G HN 1.413 nan 8.290 nan 0.000 0.541 94 S N 0.120 115.748 115.700 -0.120 0.000 2.780 94 S HA 0.595 5.065 4.470 -0.000 0.000 0.248 94 S C 0.567 175.062 174.600 -0.173 0.000 1.036 94 S CA 0.554 58.674 58.200 -0.133 0.000 1.061 94 S CB -0.091 63.048 63.200 -0.103 0.000 1.037 94 S HN 1.606 nan 8.310 nan 0.000 0.584 95 I N -1.999 118.473 120.570 -0.164 0.000 2.797 95 I HA 0.700 4.870 4.170 -0.000 0.000 0.307 95 I C -0.983 175.046 176.117 -0.147 0.000 1.033 95 I CA -1.650 59.559 61.300 -0.151 0.000 1.071 95 I CB 0.802 38.759 38.000 -0.071 0.000 1.255 95 I HN -0.138 nan 8.210 nan 0.000 0.445 96 Y N 2.447 122.736 120.300 -0.019 0.000 2.526 96 Y HA 0.023 4.573 4.550 -0.000 0.000 0.330 96 Y C 1.699 177.607 175.900 0.013 0.000 1.156 96 Y CA 0.437 58.531 58.100 -0.010 0.000 1.419 96 Y CB 0.722 39.174 38.460 -0.013 0.000 1.250 96 Y HN 0.712 nan 8.280 nan 0.000 0.540 97 Q N 2.330 122.228 119.800 0.163 0.000 2.133 97 Q HA -0.299 4.041 4.340 -0.000 0.000 0.208 97 Q C 1.199 177.236 176.000 0.062 0.000 0.991 97 Q CA 2.032 57.877 55.803 0.070 0.000 0.867 97 Q CB -0.273 28.454 28.738 -0.018 0.000 0.911 97 Q HN 0.869 nan 8.270 nan 0.000 0.417 98 Y N 0.118 120.379 120.300 -0.066 0.000 2.298 98 Y HA -0.216 4.334 4.550 -0.000 0.000 0.287 98 Y C 1.823 177.683 175.900 -0.066 0.000 1.164 98 Y CA 1.343 59.376 58.100 -0.112 0.000 1.229 98 Y CB -0.008 38.392 38.460 -0.100 0.000 0.977 98 Y HN 0.217 nan 8.280 nan 0.000 0.538 99 I N -1.772 118.882 120.570 0.141 0.000 2.406 99 I HA -0.268 3.902 4.170 -0.000 0.000 0.249 99 I C 2.584 178.749 176.117 0.081 0.000 1.122 99 I CA 0.977 62.337 61.300 0.100 0.000 1.431 99 I CB -0.452 37.608 38.000 0.102 0.000 1.087 99 I HN 0.289 nan 8.210 nan 0.000 0.424 100 H N 0.909 119.952 119.070 -0.044 0.000 2.353 100 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 100 H C 2.279 177.578 175.328 -0.048 0.000 1.090 100 H CA 1.930 57.947 56.048 -0.053 0.000 1.327 100 H CB 0.277 29.984 29.762 -0.092 0.000 1.383 100 H HN 0.098 nan 8.280 nan 0.000 0.508 101 V N 1.423 121.154 119.914 -0.304 0.000 2.255 101 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 101 V C 3.065 179.137 176.094 -0.038 0.000 1.051 101 V CA 1.857 63.867 62.300 -0.482 0.000 1.018 101 V CB -1.272 30.061 31.823 -0.816 0.000 0.641 101 V HN 0.597 nan 8.190 nan 0.000 0.445 102 A N -0.633 122.156 122.820 -0.052 0.000 1.902 102 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 102 A C 2.120 179.707 177.584 0.005 0.000 1.181 102 A CA 2.097 54.130 52.037 -0.006 0.000 0.623 102 A CB -0.746 18.268 19.000 0.024 0.000 0.818 102 A HN 0.510 nan 8.150 nan 0.000 0.443 103 F N 0.531 120.415 119.950 -0.109 0.000 2.069 103 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 103 F C 2.510 178.240 175.800 -0.116 0.000 1.113 103 F CA 2.311 60.252 58.000 -0.098 0.000 1.214 103 F CB -0.262 38.658 39.000 -0.133 0.000 0.978 103 F HN 0.184 nan 8.300 nan 0.000 0.474 104 Q N 0.269 119.931 119.800 -0.231 0.000 2.226 104 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 104 Q C 2.490 178.184 176.000 -0.510 0.000 0.975 104 Q CA 1.292 56.916 55.803 -0.298 0.000 0.866 104 Q CB -1.235 27.464 28.738 -0.064 0.000 0.915 104 Q HN 0.588 nan 8.270 nan 0.000 0.440 105 G N 0.592 108.987 108.800 -0.676 0.000 2.422 105 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 105 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 105 G C 1.606 176.072 174.900 -0.723 0.000 1.140 105 G CA 1.141 45.423 45.100 -1.363 0.000 0.775 105 G HN 0.510 nan 8.290 nan 0.000 0.545 106 S N 0.038 115.506 115.700 -0.385 0.000 2.447 106 S HA 0.010 4.480 4.470 -0.000 0.000 0.233 106 S C 2.007 176.463 174.600 -0.240 0.000 1.006 106 S CA 0.702 58.757 58.200 -0.241 0.000 0.957 106 S CB -0.446 62.664 63.200 -0.150 0.000 0.773 106 S HN 0.164 nan 8.310 nan 0.000 0.507 107 F N 2.327 122.006 119.950 -0.452 0.000 2.206 107 F HA 0.292 4.819 4.527 -0.000 0.000 0.298 107 F C 2.808 178.403 175.800 -0.340 0.000 1.090 107 F CA 0.388 58.214 58.000 -0.291 0.000 1.323 107 F CB -0.930 37.949 39.000 -0.202 0.000 1.028 107 F HN 0.304 nan 8.300 nan 0.000 0.492 108 A N -1.040 121.507 122.820 -0.455 0.000 1.933 108 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 108 A C 2.295 179.588 177.584 -0.486 0.000 1.175 108 A CA 1.766 53.280 52.037 -0.871 0.000 0.628 108 A CB -1.464 16.974 19.000 -0.936 0.000 0.814 108 A HN 0.470 nan 8.150 nan 0.000 0.444 109 C N -1.265 117.829 119.300 -0.343 0.000 2.462 109 C HA -0.068 4.392 4.460 -0.000 0.000 0.278 109 C C 2.444 177.384 174.990 -0.083 0.000 1.253 109 C CA 0.968 59.888 59.018 -0.162 0.000 1.713 109 C CB -1.284 26.413 27.740 -0.071 0.000 2.049 109 C HN 0.681 nan 8.230 nan 0.000 0.477 110 I N 1.577 122.067 120.570 -0.133 0.000 2.286 110 I HA -0.176 3.993 4.170 -0.000 0.000 0.248 110 I C 2.367 178.404 176.117 -0.133 0.000 1.115 110 I CA 1.920 63.123 61.300 -0.161 0.000 1.392 110 I CB -0.717 37.118 38.000 -0.275 0.000 1.065 110 I HN 0.319 nan 8.210 nan 0.000 0.418 111 T N -0.289 114.201 114.554 -0.106 0.000 2.684 111 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 111 T C 2.028 176.723 174.700 -0.009 0.000 1.036 111 T CA 1.838 63.934 62.100 -0.008 0.000 1.148 111 T CB -0.623 68.317 68.868 0.120 0.000 0.863 111 T HN 0.218 nan 8.240 nan 0.000 0.436 112 V N 1.402 121.305 119.914 -0.018 0.000 2.427 112 V HA -0.055 4.065 4.120 -0.000 0.000 0.248 112 V C 2.858 178.965 176.094 0.022 0.000 1.051 112 V CA 1.831 64.134 62.300 0.006 0.000 1.048 112 V CB -1.271 30.576 31.823 0.040 0.000 0.666 112 V HN 0.618 nan 8.190 nan 0.000 0.456 113 G N -0.234 108.577 108.800 0.019 0.000 2.422 113 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 113 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 113 G C 1.545 176.508 174.900 0.105 0.000 1.140 113 G CA 0.688 45.819 45.100 0.051 0.000 0.775 113 G HN 0.486 nan 8.290 nan 0.000 0.545 114 L N 0.002 121.240 121.223 0.025 0.000 2.093 114 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 114 L C 2.759 179.715 176.870 0.144 0.000 1.085 114 L CA 0.465 55.345 54.840 0.067 0.000 0.755 114 L CB -0.340 41.612 42.059 -0.178 0.000 0.904 114 L HN 0.180 nan 8.230 nan 0.000 0.435 115 I N -0.333 120.250 120.570 0.021 0.000 2.179 115 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 115 I C 2.436 178.519 176.117 -0.057 0.000 1.088 115 I CA 1.203 62.475 61.300 -0.047 0.000 1.357 115 I CB -0.447 37.469 38.000 -0.140 0.000 1.051 115 I HN 0.060 nan 8.210 nan 0.000 0.409 116 V N 0.900 120.817 119.914 0.005 0.000 2.527 116 V HA -0.272 3.848 4.120 -0.000 0.000 0.255 116 V C 2.460 178.456 176.094 -0.162 0.000 1.081 116 V CA 1.987 64.278 62.300 -0.015 0.000 1.092 116 V CB -2.142 29.739 31.823 0.097 0.000 0.673 116 V HN 0.596 nan 8.190 nan 0.000 0.470 117 G N -0.391 108.137 108.800 -0.454 0.000 2.509 117 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.218 117 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.218 117 G C 1.543 176.163 174.900 -0.467 0.000 1.124 117 G CA 0.825 45.334 45.100 -0.985 0.000 0.776 117 G HN 0.734 nan 8.290 nan 0.000 0.547 118 A N 0.157 122.810 122.820 -0.277 0.000 2.132 118 A HA 0.367 4.687 4.320 -0.000 0.000 0.213 118 A C 2.047 179.531 177.584 -0.167 0.000 1.154 118 A CA 0.409 52.343 52.037 -0.172 0.000 0.753 118 A CB -0.059 18.873 19.000 -0.112 0.000 0.826 118 A HN 0.346 nan 8.150 nan 0.000 0.469 119 L N -0.827 120.299 121.223 -0.163 0.000 2.640 119 L HA 0.339 4.678 4.340 -0.000 0.000 0.230 119 L C 1.236 178.052 176.870 -0.091 0.000 1.123 119 L CA -0.085 54.672 54.840 -0.137 0.000 0.900 119 L CB -0.517 41.472 42.059 -0.117 0.000 1.146 119 L HN 0.254 nan 8.230 nan 0.000 0.484 120 A N 0.995 123.757 122.820 -0.096 0.000 2.547 120 A HA 0.044 4.364 4.320 -0.000 0.000 0.233 120 A C 1.107 178.676 177.584 -0.025 0.000 1.067 120 A CA 0.520 52.526 52.037 -0.050 0.000 0.763 120 A CB 0.000 18.958 19.000 -0.070 0.000 1.007 120 A HN 0.619 nan 8.150 nan 0.000 0.506 121 E N -0.879 119.328 120.200 0.011 0.000 3.870 121 E HA -0.307 4.043 4.350 -0.000 0.000 0.329 121 E C 1.002 177.617 176.600 0.025 0.000 0.702 121 E CA 1.396 57.814 56.400 0.031 0.000 1.174 121 E CB -0.891 28.844 29.700 0.058 0.000 1.619 121 E HN 0.904 nan 8.360 nan 0.000 0.441 122 R N 0.389 120.891 120.500 0.003 0.000 2.591 122 R HA 0.300 4.640 4.340 -0.000 0.000 0.288 122 R C 0.817 177.112 176.300 -0.008 0.000 0.947 122 R CA -0.124 55.973 56.100 -0.006 0.000 1.085 122 R CB 0.020 30.304 30.300 -0.028 0.000 1.618 122 R HN 0.189 nan 8.270 nan 0.000 0.524 123 I N 2.731 123.299 120.570 -0.003 0.000 2.720 123 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 123 I C 0.135 176.282 176.117 0.051 0.000 1.090 123 I CA -0.636 60.669 61.300 0.009 0.000 1.384 123 I CB 0.944 38.946 38.000 0.003 0.000 1.420 123 I HN 0.123 nan 8.210 nan 0.000 0.575 124 R N 5.364 125.894 120.500 0.051 0.000 2.357 124 R HA 0.103 4.443 4.340 -0.000 0.000 0.296 124 R C 0.487 176.861 176.300 0.124 0.000 1.052 124 R CA -0.240 55.906 56.100 0.076 0.000 0.988 124 R CB 0.710 31.038 30.300 0.047 0.000 1.025 124 R HN 0.725 nan 8.270 nan 0.000 0.469 125 F N 2.926 122.887 119.950 0.019 0.000 2.065 125 F HA -0.307 4.220 4.527 -0.000 0.000 0.298 125 F C 2.284 178.124 175.800 0.067 0.000 1.112 125 F CA 2.468 60.504 58.000 0.060 0.000 1.212 125 F CB -0.024 39.010 39.000 0.055 0.000 0.975 125 F HN 0.733 nan 8.300 nan 0.000 0.476 126 S N 0.583 116.280 115.700 -0.005 0.000 2.400 126 S HA -0.209 4.261 4.470 -0.000 0.000 0.232 126 S C 2.153 176.706 174.600 -0.079 0.000 1.025 126 S CA 0.846 58.997 58.200 -0.081 0.000 0.993 126 S CB -1.213 62.002 63.200 0.026 0.000 0.808 126 S HN 0.485 nan 8.310 nan 0.000 0.478 127 A N 1.190 123.996 122.820 -0.024 0.000 1.933 127 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 127 A C 2.410 180.009 177.584 0.025 0.000 1.175 127 A CA 1.414 53.461 52.037 0.016 0.000 0.628 127 A CB -1.105 17.919 19.000 0.041 0.000 0.814 127 A HN 0.448 nan 8.150 nan 0.000 0.444 128 V N 0.302 120.197 119.914 -0.032 0.000 2.358 128 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 128 V C 2.467 178.567 176.094 0.010 0.000 1.047 128 V CA 1.952 64.252 62.300 0.000 0.000 1.035 128 V CB -0.443 31.364 31.823 -0.026 0.000 0.658 128 V HN 0.609 nan 8.190 nan 0.000 0.452 129 L N -0.727 120.412 121.223 -0.141 0.000 2.042 129 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 129 L C 2.379 179.238 176.870 -0.017 0.000 1.076 129 L CA 1.917 56.691 54.840 -0.109 0.000 0.749 129 L CB -0.685 41.261 42.059 -0.188 0.000 0.893 129 L HN 0.283 nan 8.230 nan 0.000 0.432 130 I N -0.505 120.065 120.570 -0.001 0.000 2.179 130 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 130 I C 2.608 178.746 176.117 0.036 0.000 1.088 130 I CA 1.554 62.867 61.300 0.022 0.000 1.357 130 I CB -0.402 37.616 38.000 0.030 0.000 1.051 130 I HN 0.153 nan 8.210 nan 0.000 0.409 131 F N 1.691 121.593 119.950 -0.079 0.000 2.069 131 F HA -0.239 4.287 4.527 -0.000 0.000 0.298 131 F C 2.385 178.160 175.800 -0.042 0.000 1.113 131 F CA 1.810 59.724 58.000 -0.143 0.000 1.214 131 F CB -0.628 38.180 39.000 -0.319 0.000 0.978 131 F HN -0.228 nan 8.300 nan 0.000 0.474 132 V N 0.151 120.001 119.914 -0.106 0.000 2.324 132 V HA -0.341 3.778 4.120 -0.000 0.000 0.250 132 V C 2.434 178.478 176.094 -0.084 0.000 1.060 132 V CA 1.798 64.028 62.300 -0.117 0.000 1.042 132 V CB -0.928 30.933 31.823 0.062 0.000 0.650 132 V HN 0.372 nan 8.190 nan 0.000 0.450 133 V N -0.372 119.517 119.914 -0.042 0.000 2.358 133 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 133 V C 2.339 178.438 176.094 0.009 0.000 1.047 133 V CA 1.912 64.223 62.300 0.019 0.000 1.035 133 V CB -0.356 31.488 31.823 0.036 0.000 0.658 133 V HN 0.440 nan 8.190 nan 0.000 0.452 134 V N -1.706 118.168 119.914 -0.067 0.000 2.453 134 V HA -0.200 3.919 4.120 -0.000 0.000 0.247 134 V C 1.934 177.985 176.094 -0.073 0.000 1.048 134 V CA 1.861 64.126 62.300 -0.057 0.000 1.049 134 V CB -0.673 31.112 31.823 -0.063 0.000 0.672 134 V HN 0.731 nan 8.190 nan 0.000 0.457 135 W N 0.370 121.409 121.300 -0.434 0.000 2.409 135 W HA -0.076 4.584 4.660 -0.000 0.000 0.299 135 W C 2.151 178.605 176.519 -0.108 0.000 1.203 135 W CA 1.439 58.547 57.345 -0.395 0.000 1.298 135 W CB -0.137 28.751 29.460 -0.952 0.000 1.127 135 W HN 0.189 nan 8.180 nan 0.000 0.528 136 L N 0.403 121.682 121.223 0.093 0.000 1.994 136 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 136 L C 2.335 179.249 176.870 0.072 0.000 1.071 136 L CA 2.867 57.771 54.840 0.108 0.000 0.745 136 L CB -1.291 40.865 42.059 0.162 0.000 0.892 136 L HN -0.093 nan 8.230 nan 0.000 0.431 137 T N -0.038 114.588 114.554 0.121 0.000 2.674 137 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 137 T C 1.786 176.558 174.700 0.120 0.000 1.039 137 T CA 2.006 64.220 62.100 0.190 0.000 1.150 137 T CB -0.343 68.643 68.868 0.198 0.000 0.864 137 T HN 0.308 nan 8.240 nan 0.000 0.427 138 L N 0.206 121.460 121.223 0.051 0.000 2.567 138 L HA 0.261 4.601 4.340 -0.000 0.000 0.225 138 L C 2.371 179.278 176.870 0.061 0.000 1.119 138 L CA 0.378 55.285 54.840 0.111 0.000 0.871 138 L CB -0.055 42.063 42.059 0.098 0.000 1.036 138 L HN 0.250 nan 8.230 nan 0.000 0.459 139 S N -1.339 114.210 115.700 -0.251 0.000 3.148 139 S HA -0.033 4.437 4.470 -0.000 0.000 0.246 139 S C 1.757 175.963 174.600 -0.656 0.000 1.041 139 S CA -0.198 57.735 58.200 -0.446 0.000 0.813 139 S CB -0.264 62.429 63.200 -0.845 0.000 0.813 139 S HN 0.317 nan 8.310 nan 0.000 0.546 140 Y N 2.285 122.049 120.300 -0.893 0.000 2.145 140 Y HA 0.043 4.592 4.550 -0.000 0.000 0.286 140 Y C 1.928 177.636 175.900 -0.320 0.000 1.145 140 Y CA 1.985 59.742 58.100 -0.571 0.000 1.148 140 Y CB -0.362 37.883 38.460 -0.359 0.000 0.981 140 Y HN 0.311 nan 8.280 nan 0.000 0.507 141 I N 0.990 121.486 120.570 -0.123 0.000 2.099 141 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 141 I C -0.530 175.309 176.117 -0.463 0.000 1.066 141 I CA 1.692 62.907 61.300 -0.142 0.000 1.324 141 I CB -1.505 36.514 38.000 0.031 0.000 1.037 141 I HN 0.216 nan 8.210 nan 0.000 0.401 142 P HA -0.174 nan 4.420 nan 0.000 0.215 142 P C 1.900 178.736 177.300 -0.773 0.000 1.153 142 P CA 1.833 64.418 63.100 -0.858 0.000 0.853 142 P CB -0.138 30.995 31.700 -0.945 0.000 0.788 143 I N -0.113 119.945 120.570 -0.853 0.000 2.286 143 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 143 I C 2.585 178.277 176.117 -0.709 0.000 1.115 143 I CA 1.398 62.225 61.300 -0.788 0.000 1.392 143 I CB -0.735 36.836 38.000 -0.715 0.000 1.065 143 I HN -0.086 nan 8.210 nan 0.000 0.418 144 A N -0.246 122.117 122.820 -0.762 0.000 1.930 144 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 144 A C 2.328 179.581 177.584 -0.551 0.000 1.175 144 A CA 1.470 53.089 52.037 -0.696 0.000 0.627 144 A CB -0.910 17.731 19.000 -0.597 0.000 0.815 144 A HN 0.497 nan 8.150 nan 0.000 0.443 145 H N -0.487 118.224 119.070 -0.598 0.000 2.389 145 H HA 0.010 4.566 4.556 -0.000 0.000 0.299 145 H C 1.922 177.017 175.328 -0.388 0.000 1.081 145 H CA 1.771 57.515 56.048 -0.507 0.000 1.345 145 H CB -0.114 29.373 29.762 -0.458 0.000 1.393 145 H HN 0.456 nan 8.280 nan 0.000 0.520 146 M N -0.151 119.229 119.600 -0.366 0.000 2.132 146 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 146 M C 2.442 178.557 176.300 -0.308 0.000 1.065 146 M CA 1.232 56.331 55.300 -0.335 0.000 1.122 146 M CB 0.088 32.471 32.600 -0.361 0.000 1.365 146 M HN 0.087 nan 8.290 nan 0.000 0.411 147 V N -2.168 117.526 119.914 -0.367 0.000 2.500 147 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 147 V C 1.445 177.497 176.094 -0.070 0.000 1.039 147 V CA 1.136 63.254 62.300 -0.304 0.000 1.053 147 V CB -0.342 31.144 31.823 -0.562 0.000 0.695 147 V HN 0.549 nan 8.190 nan 0.000 0.463 148 W N 0.190 121.390 121.300 -0.167 0.000 2.998 148 W HA 0.499 5.159 4.660 -0.000 0.000 0.336 148 W C 1.748 178.215 176.519 -0.087 0.000 1.112 148 W CA 0.124 57.434 57.345 -0.058 0.000 1.682 148 W CB -0.325 29.180 29.460 0.074 0.000 1.065 148 W HN 0.301 nan 8.180 nan 0.000 0.570 149 G N -0.248 108.425 108.800 -0.212 0.000 3.609 149 G HA2 0.377 4.336 3.960 -0.000 0.000 0.280 149 G HA3 0.377 4.336 3.960 -0.000 0.000 0.280 149 G C 1.154 175.740 174.900 -0.523 0.000 1.155 149 G CA 0.126 44.971 45.100 -0.426 0.000 0.876 149 G HN 0.262 nan 8.290 nan 0.000 0.535 150 G N -0.724 107.915 108.800 -0.269 0.000 2.198 150 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.260 150 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.260 150 G C 0.797 175.537 174.900 -0.266 0.000 1.025 150 G CA 0.356 45.341 45.100 -0.192 0.000 0.769 150 G HN 0.970 nan 8.290 nan 0.000 0.507 151 G N -1.264 107.310 108.800 -0.377 0.000 2.509 151 G HA2 0.574 4.534 3.960 -0.000 0.000 0.269 151 G HA3 0.574 4.534 3.960 -0.000 0.000 0.269 151 G C 1.315 176.097 174.900 -0.198 0.000 1.416 151 G CA 0.056 44.982 45.100 -0.290 0.000 1.052 151 G HN 0.847 nan 8.290 nan 0.000 0.542 152 L N -0.546 120.526 121.223 -0.251 0.000 1.997 152 L HA -0.135 4.204 4.340 -0.000 0.000 0.216 152 L C 2.808 179.526 176.870 -0.253 0.000 1.074 152 L CA 1.788 56.480 54.840 -0.247 0.000 0.763 152 L CB -0.402 41.490 42.059 -0.279 0.000 0.890 152 L HN 0.480 nan 8.230 nan 0.000 0.434 153 L N -1.380 119.706 121.223 -0.227 0.000 2.072 153 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 153 L C 2.682 179.533 176.870 -0.032 0.000 1.079 153 L CA 0.987 55.727 54.840 -0.166 0.000 0.752 153 L CB -1.050 40.913 42.059 -0.159 0.000 0.906 153 L HN 0.380 nan 8.230 nan 0.000 0.436 154 A N 0.833 123.631 122.820 -0.037 0.000 1.877 154 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 154 A C 2.498 180.126 177.584 0.073 0.000 1.186 154 A CA 2.093 54.149 52.037 0.031 0.000 0.620 154 A CB -0.824 18.177 19.000 0.002 0.000 0.822 154 A HN 0.516 nan 8.150 nan 0.000 0.443 155 S N -1.043 114.700 115.700 0.073 0.000 2.500 155 S HA -0.187 4.283 4.470 -0.000 0.000 0.239 155 S C 1.450 176.165 174.600 0.192 0.000 0.989 155 S CA 1.585 59.855 58.200 0.117 0.000 0.951 155 S CB -0.621 62.640 63.200 0.101 0.000 0.759 155 S HN 0.677 nan 8.310 nan 0.000 0.523 156 H N 0.988 120.063 119.070 0.008 0.000 2.563 156 H HA 0.409 4.965 4.556 -0.000 0.000 0.264 156 H C 1.627 176.989 175.328 0.056 0.000 0.957 156 H CA -0.132 55.934 56.048 0.029 0.000 1.173 156 H CB 0.109 29.874 29.762 0.006 0.000 1.420 156 H HN 0.547 nan 8.280 nan 0.000 0.551 157 G N 0.055 108.951 108.800 0.159 0.000 2.164 157 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.212 157 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.212 157 G C 0.289 175.250 174.900 0.101 0.000 1.031 157 G CA 0.045 45.220 45.100 0.125 0.000 0.730 157 G HN 0.649 nan 8.290 nan 0.000 0.501 158 A N -0.170 122.708 122.820 0.097 0.000 2.462 158 A HA 0.664 4.984 4.320 -0.000 0.000 0.243 158 A C 0.588 178.234 177.584 0.103 0.000 1.076 158 A CA 0.215 52.296 52.037 0.074 0.000 0.773 158 A CB 0.353 19.384 19.000 0.051 0.000 1.010 158 A HN 0.992 nan 8.150 nan 0.000 0.493 159 L N 2.640 123.908 121.223 0.074 0.000 2.276 159 L HA 0.428 4.768 4.340 -0.000 0.000 0.286 159 L C -0.550 176.489 176.870 0.282 0.000 1.024 159 L CA -0.257 54.617 54.840 0.056 0.000 0.826 159 L CB 1.125 43.032 42.059 -0.254 0.000 1.211 159 L HN 0.684 nan 8.230 nan 0.000 0.422 160 D N 2.188 122.897 120.400 0.515 0.000 2.411 160 D HA 0.078 4.717 4.640 -0.000 0.000 0.239 160 D C 0.244 177.009 176.300 0.775 0.000 1.307 160 D CA -0.421 53.920 54.000 0.567 0.000 0.930 160 D CB 0.753 41.762 40.800 0.349 0.000 1.395 160 D HN 0.272 nan 8.370 nan 0.000 0.536 161 F N 2.807 123.120 119.950 0.605 0.000 2.102 161 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 161 F C 1.779 177.774 175.800 0.324 0.000 1.105 161 F CA 2.068 60.261 58.000 0.322 0.000 1.239 161 F CB 0.458 39.495 39.000 0.062 0.000 0.991 161 F HN 0.426 nan 8.300 nan 0.000 0.474 162 A N -1.798 121.397 122.820 0.624 0.000 2.551 162 A HA 0.570 4.890 4.320 -0.000 0.000 0.252 162 A C 1.044 179.150 177.584 0.870 0.000 1.199 162 A CA 0.470 52.846 52.037 0.564 0.000 0.972 162 A CB -0.099 19.273 19.000 0.620 0.000 1.153 162 A HN 0.789 nan 8.150 nan 0.000 0.559 163 G N -1.434 107.899 108.800 0.888 0.000 2.161 163 G HA2 0.056 4.015 3.960 -0.000 0.000 0.140 163 G HA3 0.056 4.015 3.960 -0.000 0.000 0.140 163 G C 1.068 176.240 174.900 0.454 0.000 1.040 163 G CA 0.376 45.840 45.100 0.607 0.000 0.735 163 G HN 1.039 nan 8.290 nan 0.000 0.496 164 G N 0.744 109.849 108.800 0.508 0.000 2.476 164 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.218 164 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.218 164 G C 1.911 176.992 174.900 0.301 0.000 1.164 164 G CA 2.886 48.267 45.100 0.469 0.000 0.768 164 G HN 1.356 nan 8.290 nan 0.000 0.560 165 T N -0.931 113.717 114.554 0.156 0.000 2.755 165 T HA -0.020 4.330 4.350 -0.000 0.000 0.251 165 T C 2.337 177.025 174.700 -0.020 0.000 1.044 165 T CA 1.419 63.552 62.100 0.055 0.000 1.154 165 T CB -0.762 68.085 68.868 -0.035 0.000 0.866 165 T HN 0.023 nan 8.240 nan 0.000 0.416 166 V N 1.738 121.523 119.914 -0.215 0.000 2.317 166 V HA -0.156 3.964 4.120 -0.000 0.000 0.251 166 V C 2.743 178.837 176.094 -0.000 0.000 1.065 166 V CA 1.841 63.932 62.300 -0.348 0.000 1.049 166 V CB -0.929 30.368 31.823 -0.876 0.000 0.651 166 V HN 0.448 nan 8.190 nan 0.000 0.450 167 V N -1.623 118.343 119.914 0.086 0.000 2.599 167 V HA 0.013 4.133 4.120 -0.000 0.000 0.237 167 V C 2.275 178.376 176.094 0.011 0.000 1.081 167 V CA 1.038 63.390 62.300 0.086 0.000 1.107 167 V CB -0.646 31.163 31.823 -0.023 0.000 0.808 167 V HN 0.483 nan 8.190 nan 0.000 0.486 168 H N 0.282 119.544 119.070 0.319 0.000 2.268 168 H HA 0.064 4.620 4.556 -0.000 0.000 0.304 168 H C 2.364 177.850 175.328 0.263 0.000 1.064 168 H CA 1.955 58.192 56.048 0.315 0.000 1.316 168 H CB -0.261 29.707 29.762 0.345 0.000 1.386 168 H HN 0.285 nan 8.280 nan 0.000 0.496 169 I N 1.150 121.923 120.570 0.338 0.000 2.226 169 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 169 I C 2.500 178.798 176.117 0.302 0.000 1.100 169 I CA 1.028 62.489 61.300 0.270 0.000 1.374 169 I CB -0.307 37.822 38.000 0.215 0.000 1.057 169 I HN 0.168 nan 8.210 nan 0.000 0.413 170 N N 1.497 120.376 118.700 0.299 0.000 2.069 170 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 170 N C 1.785 177.615 175.510 0.533 0.000 1.031 170 N CA 2.158 55.453 53.050 0.409 0.000 0.852 170 N CB -0.124 38.581 38.487 0.362 0.000 1.018 170 N HN 0.368 nan 8.380 nan 0.000 0.423 171 A N 0.177 123.223 122.820 0.376 0.000 1.898 171 A HA 0.246 4.566 4.320 -0.000 0.000 0.214 171 A C 2.361 180.050 177.584 0.175 0.000 1.183 171 A CA 1.611 53.757 52.037 0.182 0.000 0.622 171 A CB -1.062 17.987 19.000 0.082 0.000 0.824 171 A HN 0.393 nan 8.150 nan 0.000 0.444 172 A N 0.080 123.055 122.820 0.258 0.000 1.917 172 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 172 A C 2.034 179.875 177.584 0.429 0.000 1.182 172 A CA 1.753 53.988 52.037 0.330 0.000 0.633 172 A CB -0.490 18.689 19.000 0.299 0.000 0.819 172 A HN 0.405 nan 8.150 nan 0.000 0.448 173 I N -0.385 120.431 120.570 0.410 0.000 2.286 173 I HA -0.191 3.978 4.170 -0.000 0.000 0.245 173 I C 2.963 179.252 176.117 0.287 0.000 1.104 173 I CA 1.360 62.876 61.300 0.361 0.000 1.397 173 I CB -1.475 36.739 38.000 0.358 0.000 1.072 173 I HN 0.375 nan 8.210 nan 0.000 0.417 174 A N 0.847 123.843 122.820 0.294 0.000 1.908 174 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 174 A C 2.470 180.147 177.584 0.155 0.000 1.181 174 A CA 1.960 54.139 52.037 0.236 0.000 0.627 174 A CB -1.315 17.600 19.000 -0.141 0.000 0.818 174 A HN 0.435 nan 8.150 nan 0.000 0.445 175 G N -0.433 108.416 108.800 0.081 0.000 2.433 175 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 175 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 175 G C 1.574 176.474 174.900 -0.000 0.000 1.186 175 G CA 0.890 46.002 45.100 0.020 0.000 0.779 175 G HN 0.407 nan 8.290 nan 0.000 0.543 176 L N 0.574 121.833 121.223 0.061 0.000 1.989 176 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 176 L C 3.023 179.866 176.870 -0.046 0.000 1.071 176 L CA 1.530 56.349 54.840 -0.034 0.000 0.749 176 L CB -0.396 41.566 42.059 -0.162 0.000 0.890 176 L HN 0.162 nan 8.230 nan 0.000 0.431 177 V N 0.004 119.925 119.914 0.012 0.000 2.343 177 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 177 V C 2.680 178.681 176.094 -0.155 0.000 1.051 177 V CA 1.835 64.162 62.300 0.044 0.000 1.036 177 V CB -1.317 30.640 31.823 0.223 0.000 0.654 177 V HN 0.646 nan 8.190 nan 0.000 0.451 178 G N -0.400 108.106 108.800 -0.490 0.000 2.421 178 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 178 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 178 G C 1.781 176.325 174.900 -0.594 0.000 1.171 178 G CA 1.029 45.373 45.100 -1.261 0.000 0.775 178 G HN 0.608 nan 8.290 nan 0.000 0.543 179 A N -0.124 122.501 122.820 -0.324 0.000 1.933 179 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 179 A C 2.208 179.684 177.584 -0.181 0.000 1.175 179 A CA 1.758 53.663 52.037 -0.220 0.000 0.628 179 A CB -0.663 18.250 19.000 -0.145 0.000 0.814 179 A HN 0.517 nan 8.150 nan 0.000 0.444 180 Y N 0.345 120.507 120.300 -0.230 0.000 2.163 180 Y HA -0.129 4.421 4.550 -0.000 0.000 0.288 180 Y C 1.944 177.745 175.900 -0.165 0.000 1.136 180 Y CA 1.925 59.916 58.100 -0.181 0.000 1.147 180 Y CB -0.253 38.123 38.460 -0.139 0.000 0.987 180 Y HN 0.209 nan 8.280 nan 0.000 0.509 181 L N 0.357 121.521 121.223 -0.098 0.000 2.056 181 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 181 L C 2.536 179.265 176.870 -0.234 0.000 1.078 181 L CA 1.647 56.399 54.840 -0.146 0.000 0.749 181 L CB -0.728 41.290 42.059 -0.068 0.000 0.901 181 L HN 0.417 nan 8.230 nan 0.000 0.433 182 I N -2.157 118.255 120.570 -0.263 0.000 2.394 182 I HA 0.151 4.321 4.170 -0.000 0.000 0.251 182 I C 1.143 177.131 176.117 -0.216 0.000 1.136 182 I CA 0.719 61.889 61.300 -0.217 0.000 1.425 182 I CB -0.984 36.889 38.000 -0.211 0.000 1.079 182 I HN 0.257 nan 8.210 nan 0.000 0.425 183 G N 1.446 110.081 108.800 -0.275 0.000 2.663 183 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 183 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 183 G C -0.747 173.986 174.900 -0.278 0.000 1.288 183 G CA -0.580 44.346 45.100 -0.290 0.000 0.836 183 G HN 0.416 nan 8.290 nan 0.000 0.584 184 K N 0.380 120.583 120.400 -0.327 0.000 2.355 184 K HA 0.282 4.602 4.320 -0.000 0.000 0.270 184 K C 1.194 177.660 176.600 -0.223 0.000 1.003 184 K CA -0.169 55.874 56.287 -0.406 0.000 0.957 184 K CB 0.527 32.660 32.500 -0.612 0.000 0.939 184 K HN 0.516 nan 8.250 nan 0.000 0.482 185 R N 0.991 121.392 120.500 -0.165 0.000 2.623 185 R HA 0.018 4.358 4.340 -0.000 0.000 0.271 185 R C -0.091 176.268 176.300 0.097 0.000 1.043 185 R CA -0.291 55.797 56.100 -0.018 0.000 1.083 185 R CB 0.647 30.927 30.300 -0.034 0.000 0.974 185 R HN 0.316 nan 8.270 nan 0.000 0.436 186 V N 2.930 122.922 119.914 0.130 0.000 2.585 186 V HA 0.238 4.357 4.120 -0.000 0.000 0.296 186 V C 1.114 177.383 176.094 0.292 0.000 1.035 186 V CA 1.895 64.286 62.300 0.151 0.000 1.084 186 V CB 0.847 32.723 31.823 0.088 0.000 0.953 186 V HN 1.052 nan 8.190 nan 0.000 0.483 187 G N 5.261 114.222 108.800 0.268 0.000 2.141 187 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.231 187 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.231 187 G C 0.167 175.353 174.900 0.477 0.000 0.984 187 G CA 0.124 45.405 45.100 0.302 0.000 0.660 187 G HN 1.001 nan 8.290 nan 0.000 0.525 188 F N 1.955 122.049 119.950 0.239 0.000 2.636 188 F HA 0.415 4.942 4.527 -0.000 0.000 0.338 188 F C 1.503 177.365 175.800 0.104 0.000 1.305 188 F CA 1.772 59.832 58.000 0.099 0.000 1.138 188 F CB -0.293 38.660 39.000 -0.079 0.000 1.579 188 F HN 0.602 nan 8.300 nan 0.000 0.679 189 G N 3.033 111.869 108.800 0.060 0.000 3.768 189 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.214 189 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.214 189 G C 1.057 175.973 174.900 0.026 0.000 1.058 189 G CA 0.064 45.168 45.100 0.007 0.000 0.890 189 G HN 0.526 nan 8.290 nan 0.000 0.393 190 K N 0.508 120.940 120.400 0.054 0.000 2.335 190 K HA 0.476 4.796 4.320 -0.000 0.000 0.195 190 K C 0.753 177.336 176.600 -0.028 0.000 1.058 190 K CA 0.355 56.650 56.287 0.013 0.000 0.988 190 K CB 0.688 33.197 32.500 0.015 0.000 0.880 190 K HN 0.307 nan 8.250 nan 0.000 0.513 191 E N 0.747 120.918 120.200 -0.048 0.000 2.227 191 E HA 0.480 4.830 4.350 -0.000 0.000 0.268 191 E C -1.170 175.214 176.600 -0.360 0.000 0.990 191 E CA -0.881 55.382 56.400 -0.229 0.000 0.856 191 E CB 1.607 31.101 29.700 -0.343 0.000 1.159 191 E HN 0.354 nan 8.360 nan 0.000 0.401 192 A N 2.479 125.059 122.820 -0.400 0.000 2.327 192 A HA 0.427 4.747 4.320 -0.000 0.000 0.283 192 A C -0.932 176.330 177.584 -0.536 0.000 1.127 192 A CA -0.236 51.620 52.037 -0.302 0.000 0.810 192 A CB 0.032 18.935 19.000 -0.162 0.000 1.066 192 A HN 0.566 nan 8.150 nan 0.000 0.492 193 F N 1.656 121.578 119.950 -0.047 0.000 2.679 193 F HA 0.247 4.774 4.527 -0.000 0.000 0.354 193 F C 0.483 176.272 175.800 -0.018 0.000 1.423 193 F CA -0.349 57.634 58.000 -0.028 0.000 1.141 193 F CB 0.724 39.703 39.000 -0.035 0.000 1.168 193 F HN 0.462 nan 8.300 nan 0.000 0.530 194 K N 1.358 121.806 120.400 0.082 0.000 2.237 194 K HA 0.307 4.627 4.320 -0.000 0.000 0.270 194 K C -2.445 174.200 176.600 0.075 0.000 1.015 194 K CA -1.689 54.632 56.287 0.058 0.000 0.949 194 K CB 0.249 32.759 32.500 0.016 0.000 0.976 194 K HN -0.019 nan 8.250 nan 0.000 0.472 195 P HA -0.078 nan 4.420 nan 0.000 0.265 195 P C 0.144 177.484 177.300 0.066 0.000 1.193 195 P CA 0.199 63.333 63.100 0.056 0.000 0.765 195 P CB 0.352 32.044 31.700 -0.013 0.000 0.823 196 H N 1.962 121.037 119.070 0.008 0.000 2.482 196 H HA 0.087 4.643 4.556 -0.000 0.000 0.286 196 H C -0.261 175.061 175.328 -0.010 0.000 1.017 196 H CA 0.796 56.849 56.048 0.008 0.000 1.322 196 H CB 0.354 30.145 29.762 0.049 0.000 1.426 196 H HN 0.236 nan 8.280 nan 0.000 0.546 197 N N 0.773 119.091 118.700 -0.636 0.000 2.675 197 N HA 0.136 4.876 4.740 -0.000 0.000 0.254 197 N C 0.537 175.896 175.510 -0.252 0.000 1.224 197 N CA -0.224 52.509 53.050 -0.529 0.000 0.777 197 N CB 0.942 38.952 38.487 -0.795 0.000 1.256 197 N HN 0.183 nan 8.380 nan 0.000 0.531 198 L N 2.118 123.244 121.223 -0.161 0.000 2.093 198 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 198 L C -0.709 176.133 176.870 -0.046 0.000 1.085 198 L CA 1.094 55.876 54.840 -0.098 0.000 0.755 198 L CB -0.784 41.221 42.059 -0.089 0.000 0.904 198 L HN 0.347 nan 8.230 nan 0.000 0.435 199 P HA -0.211 nan 4.420 nan 0.000 0.218 199 P C 1.763 179.114 177.300 0.084 0.000 1.149 199 P CA 1.430 64.540 63.100 0.016 0.000 0.817 199 P CB -0.008 31.673 31.700 -0.032 0.000 0.785 200 M N -0.717 118.883 119.600 0.001 0.000 2.159 200 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 200 M C 1.649 177.966 176.300 0.029 0.000 1.063 200 M CA 1.742 57.050 55.300 0.014 0.000 1.110 200 M CB -0.453 32.134 32.600 -0.022 0.000 1.374 200 M HN -0.228 nan 8.290 nan 0.000 0.411 201 V N 0.642 120.557 119.914 0.001 0.000 2.287 201 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 201 V C 2.168 178.323 176.094 0.102 0.000 1.053 201 V CA 2.280 64.568 62.300 -0.020 0.000 1.027 201 V CB -1.045 30.709 31.823 -0.114 0.000 0.646 201 V HN 0.613 nan 8.190 nan 0.000 0.447 202 F N 1.547 121.484 119.950 -0.022 0.000 2.095 202 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 202 F C 2.434 178.239 175.800 0.007 0.000 1.104 202 F CA 2.410 60.404 58.000 -0.011 0.000 1.232 202 F CB -0.806 38.168 39.000 -0.044 0.000 0.987 202 F HN 0.139 nan 8.300 nan 0.000 0.475 203 T N 0.155 114.661 114.554 -0.079 0.000 2.720 203 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 203 T C 2.150 176.729 174.700 -0.201 0.000 1.037 203 T CA 1.537 63.530 62.100 -0.178 0.000 1.144 203 T CB -1.306 67.563 68.868 0.001 0.000 0.864 203 T HN 0.500 nan 8.240 nan 0.000 0.444 204 G N 1.100 109.851 108.800 -0.083 0.000 2.421 204 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 204 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 204 G C 1.735 176.565 174.900 -0.117 0.000 1.171 204 G CA 1.415 46.477 45.100 -0.063 0.000 0.775 204 G HN 0.456 nan 8.290 nan 0.000 0.543 205 T N 1.701 116.230 114.554 -0.041 0.000 2.720 205 T HA -0.045 4.304 4.350 -0.000 0.000 0.268 205 T C 2.779 177.347 174.700 -0.220 0.000 1.037 205 T CA 1.620 63.642 62.100 -0.130 0.000 1.144 205 T CB -0.351 68.497 68.868 -0.034 0.000 0.864 205 T HN 0.384 nan 8.240 nan 0.000 0.444 206 A N 1.003 123.609 122.820 -0.357 0.000 1.898 206 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 206 A C 2.287 179.790 177.584 -0.134 0.000 1.181 206 A CA 1.082 52.944 52.037 -0.291 0.000 0.620 206 A CB -0.711 17.982 19.000 -0.513 0.000 0.819 206 A HN 0.520 nan 8.150 nan 0.000 0.442 207 I N -0.421 119.995 120.570 -0.256 0.000 2.286 207 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 207 I C 2.333 178.255 176.117 -0.325 0.000 1.115 207 I CA 0.979 62.028 61.300 -0.419 0.000 1.392 207 I CB -0.288 37.291 38.000 -0.702 0.000 1.065 207 I HN 0.291 nan 8.210 nan 0.000 0.418 208 L N -0.633 120.454 121.223 -0.228 0.000 2.046 208 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 208 L C 2.656 179.581 176.870 0.092 0.000 1.077 208 L CA 1.450 56.217 54.840 -0.123 0.000 0.747 208 L CB -0.773 41.204 42.059 -0.137 0.000 0.896 208 L HN 0.228 nan 8.230 nan 0.000 0.432 209 Y N 0.763 121.023 120.300 -0.065 0.000 2.049 209 Y HA -0.304 4.246 4.550 -0.000 0.000 0.277 209 Y C 2.497 178.421 175.900 0.039 0.000 1.143 209 Y CA 1.592 59.649 58.100 -0.073 0.000 1.115 209 Y CB -0.238 38.156 38.460 -0.109 0.000 0.975 209 Y HN -0.058 nan 8.280 nan 0.000 0.487 210 I N 0.781 121.383 120.570 0.053 0.000 2.118 210 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 210 I C 2.757 179.005 176.117 0.218 0.000 1.070 210 I CA 1.842 63.240 61.300 0.164 0.000 1.327 210 I CB -2.135 36.008 38.000 0.238 0.000 1.034 210 I HN 0.457 nan 8.210 nan 0.000 0.405 211 G N -0.662 108.223 108.800 0.141 0.000 2.450 211 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 211 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 211 G C 1.530 176.474 174.900 0.074 0.000 1.130 211 G CA 0.118 45.298 45.100 0.133 0.000 0.760 211 G HN 0.410 nan 8.290 nan 0.000 0.557 212 W N 0.443 121.612 121.300 -0.219 0.000 2.538 212 W HA 0.052 4.712 4.660 -0.000 0.000 0.254 212 W C 1.552 177.915 176.519 -0.260 0.000 1.249 212 W CA 0.241 57.405 57.345 -0.302 0.000 1.253 212 W CB -0.300 28.865 29.460 -0.492 0.000 1.130 212 W HN 0.257 nan 8.180 nan 0.000 0.618 213 F N -0.080 119.913 119.950 0.072 0.000 2.206 213 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 213 F C 2.643 178.536 175.800 0.155 0.000 1.090 213 F CA 1.769 59.748 58.000 -0.035 0.000 1.323 213 F CB -1.219 37.627 39.000 -0.257 0.000 1.028 213 F HN -0.197 nan 8.300 nan 0.000 0.492 214 G N -1.004 107.984 108.800 0.314 0.000 2.408 214 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 214 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 214 G C 1.662 176.776 174.900 0.357 0.000 1.150 214 G CA 0.394 45.639 45.100 0.242 0.000 0.776 214 G HN 0.319 nan 8.290 nan 0.000 0.542 215 F N 1.897 121.911 119.950 0.105 0.000 2.031 215 F HA -0.108 4.419 4.527 -0.000 0.000 0.295 215 F C 2.580 178.580 175.800 0.335 0.000 1.133 215 F CA 1.951 59.965 58.000 0.024 0.000 1.188 215 F CB -0.023 38.728 39.000 -0.416 0.000 0.974 215 F HN 0.049 nan 8.300 nan 0.000 0.473 216 N N 0.519 119.604 118.700 0.641 0.000 2.092 216 N HA -0.090 4.649 4.740 -0.000 0.000 0.189 216 N C 1.866 177.708 175.510 0.553 0.000 1.040 216 N CA 1.660 55.073 53.050 0.605 0.000 0.845 216 N CB -1.052 37.733 38.487 0.496 0.000 1.017 216 N HN 0.380 nan 8.380 nan 0.000 0.426 217 A N 0.352 123.476 122.820 0.506 0.000 1.930 217 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 217 A C 2.265 180.160 177.584 0.518 0.000 1.175 217 A CA 1.711 54.087 52.037 0.566 0.000 0.627 217 A CB -1.126 18.310 19.000 0.727 0.000 0.815 217 A HN 0.358 nan 8.150 nan 0.000 0.443 218 G N -0.932 108.086 108.800 0.364 0.000 2.470 218 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.220 218 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.220 218 G C 1.496 176.385 174.900 -0.019 0.000 1.121 218 G CA 1.071 46.224 45.100 0.088 0.000 0.766 218 G HN 0.457 nan 8.290 nan 0.000 0.553 219 S N 0.350 116.168 115.700 0.196 0.000 2.595 219 S HA 0.184 4.654 4.470 -0.000 0.000 0.235 219 S C 2.361 176.720 174.600 -0.402 0.000 0.974 219 S CA 0.624 58.721 58.200 -0.171 0.000 0.942 219 S CB 0.011 63.010 63.200 -0.334 0.000 0.766 219 S HN 0.570 nan 8.310 nan 0.000 0.536 220 A N 0.398 123.217 122.820 -0.002 0.000 2.132 220 A HA 0.488 4.808 4.320 -0.000 0.000 0.213 220 A C 1.811 179.372 177.584 -0.038 0.000 1.154 220 A CA 0.795 52.893 52.037 0.103 0.000 0.753 220 A CB -0.645 18.532 19.000 0.294 0.000 0.826 220 A HN 0.776 nan 8.150 nan 0.000 0.469 221 G N -1.494 107.242 108.800 -0.107 0.000 2.168 221 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.263 221 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.263 221 G C 0.417 175.284 174.900 -0.055 0.000 0.977 221 G CA 1.350 46.345 45.100 -0.175 0.000 0.659 221 G HN 1.789 nan 8.290 nan 0.000 0.533 222 T N -2.413 112.164 114.554 0.038 0.000 2.893 222 T HA 0.675 5.025 4.350 -0.000 0.000 0.337 222 T C -0.137 174.451 174.700 -0.186 0.000 1.587 222 T CA 0.570 62.659 62.100 -0.017 0.000 1.066 222 T CB 1.017 69.847 68.868 -0.062 0.000 1.414 222 T HN 1.746 nan 8.240 nan 0.000 0.488 223 A N 4.195 126.754 122.820 -0.435 0.000 3.063 223 A HA 0.461 4.780 4.320 -0.000 0.000 0.263 223 A C 0.686 178.034 177.584 -0.393 0.000 1.736 223 A CA -0.411 51.135 52.037 -0.818 0.000 1.408 223 A CB -1.321 17.163 19.000 -0.860 0.000 1.108 223 A HN 0.819 nan 8.150 nan 0.000 0.621 224 N N -0.324 118.224 118.700 -0.253 0.000 2.938 224 N HA 0.142 4.882 4.740 -0.000 0.000 0.335 224 N C 0.887 176.337 175.510 -0.100 0.000 1.358 224 N CA -0.118 52.848 53.050 -0.141 0.000 0.812 224 N CB 0.163 38.600 38.487 -0.083 0.000 1.233 224 N HN 0.239 nan 8.380 nan 0.000 0.593 225 E N -0.100 120.064 120.200 -0.059 0.000 2.208 225 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 225 E C 1.465 178.057 176.600 -0.013 0.000 0.988 225 E CA 0.752 57.129 56.400 -0.037 0.000 0.828 225 E CB -0.233 29.449 29.700 -0.029 0.000 0.763 225 E HN 0.550 nan 8.360 nan 0.000 0.478 226 I N 2.015 122.586 120.570 0.002 0.000 2.286 226 I HA -0.112 4.057 4.170 -0.000 0.000 0.245 226 I C 2.689 178.846 176.117 0.066 0.000 1.104 226 I CA 1.176 62.486 61.300 0.017 0.000 1.397 226 I CB -1.579 36.462 38.000 0.067 0.000 1.072 226 I HN 0.124 nan 8.210 nan 0.000 0.417 227 A N 1.079 123.963 122.820 0.106 0.000 1.933 227 A HA -0.066 4.253 4.320 -0.000 0.000 0.218 227 A C 2.569 180.278 177.584 0.209 0.000 1.175 227 A CA 1.845 54.005 52.037 0.204 0.000 0.628 227 A CB -0.678 18.395 19.000 0.121 0.000 0.814 227 A HN 0.408 nan 8.150 nan 0.000 0.444 228 A N -0.553 122.317 122.820 0.083 0.000 1.930 228 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 228 A C 2.112 179.773 177.584 0.129 0.000 1.175 228 A CA 1.648 53.729 52.037 0.074 0.000 0.627 228 A CB -0.541 18.446 19.000 -0.022 0.000 0.815 228 A HN 0.659 nan 8.150 nan 0.000 0.443 229 L N -0.177 121.091 121.223 0.074 0.000 2.027 229 L HA -0.011 4.329 4.340 -0.000 0.000 0.206 229 L C 2.640 179.555 176.870 0.076 0.000 1.074 229 L CA 2.263 57.130 54.840 0.045 0.000 0.745 229 L CB -0.841 41.201 42.059 -0.028 0.000 0.898 229 L HN 0.311 nan 8.230 nan 0.000 0.433 230 A N -1.236 121.625 122.820 0.069 0.000 1.972 230 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 230 A C 2.236 179.969 177.584 0.249 0.000 1.169 230 A CA 1.820 53.917 52.037 0.101 0.000 0.635 230 A CB -1.094 17.994 19.000 0.147 0.000 0.810 230 A HN 0.545 nan 8.150 nan 0.000 0.446 231 F N 0.339 120.415 119.950 0.210 0.000 2.098 231 F HA -0.102 4.425 4.527 -0.000 0.000 0.294 231 F C 2.318 178.287 175.800 0.282 0.000 1.107 231 F CA 1.817 60.010 58.000 0.322 0.000 1.234 231 F CB -0.296 38.855 39.000 0.252 0.000 1.002 231 F HN 0.022 nan 8.300 nan 0.000 0.472 232 V N 0.740 120.939 119.914 0.476 0.000 2.407 232 V HA -0.310 3.809 4.120 -0.000 0.000 0.248 232 V C 2.110 178.324 176.094 0.200 0.000 1.055 232 V CA 2.051 64.545 62.300 0.323 0.000 1.049 232 V CB -0.812 31.131 31.823 0.200 0.000 0.662 232 V HN 0.351 nan 8.190 nan 0.000 0.455 233 N N -0.055 118.727 118.700 0.137 0.000 2.244 233 N HA -0.115 4.624 4.740 -0.000 0.000 0.183 233 N C 1.895 177.423 175.510 0.030 0.000 1.016 233 N CA 1.714 54.801 53.050 0.062 0.000 0.866 233 N CB -0.443 38.061 38.487 0.028 0.000 0.980 233 N HN 0.458 nan 8.380 nan 0.000 0.430 234 T N 0.584 115.152 114.554 0.023 0.000 2.777 234 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 234 T C 2.149 176.827 174.700 -0.036 0.000 1.040 234 T CA 0.775 62.797 62.100 -0.130 0.000 1.141 234 T CB -0.241 68.399 68.868 -0.380 0.000 0.868 234 T HN -0.033 nan 8.240 nan 0.000 0.444 235 V N 1.281 121.291 119.914 0.160 0.000 2.295 235 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 235 V C 2.654 178.837 176.094 0.148 0.000 1.049 235 V CA 1.356 63.822 62.300 0.277 0.000 1.024 235 V CB -0.700 31.323 31.823 0.335 0.000 0.648 235 V HN 0.314 nan 8.190 nan 0.000 0.447 236 V N 0.275 120.246 119.914 0.095 0.000 2.307 236 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 236 V C 2.711 178.807 176.094 0.003 0.000 1.045 236 V CA 1.947 64.275 62.300 0.048 0.000 1.024 236 V CB -1.163 30.683 31.823 0.037 0.000 0.651 236 V HN 0.540 nan 8.190 nan 0.000 0.449 237 A N 0.108 122.911 122.820 -0.028 0.000 1.933 237 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 237 A C 2.381 179.913 177.584 -0.087 0.000 1.175 237 A CA 2.470 54.467 52.037 -0.067 0.000 0.628 237 A CB -0.918 18.027 19.000 -0.093 0.000 0.814 237 A HN 0.544 nan 8.150 nan 0.000 0.444 238 T N 0.369 114.864 114.554 -0.098 0.000 2.737 238 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 238 T C 2.263 176.900 174.700 -0.105 0.000 1.038 238 T CA 1.510 63.525 62.100 -0.142 0.000 1.144 238 T CB -0.542 68.248 68.868 -0.131 0.000 0.866 238 T HN 0.582 nan 8.240 nan 0.000 0.434 239 A N 1.718 124.507 122.820 -0.052 0.000 1.908 239 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 239 A C 2.678 180.267 177.584 0.009 0.000 1.181 239 A CA 1.915 53.938 52.037 -0.023 0.000 0.627 239 A CB -1.207 17.802 19.000 0.016 0.000 0.818 239 A HN 0.522 nan 8.150 nan 0.000 0.445 240 A N -0.371 122.454 122.820 0.008 0.000 1.933 240 A HA 0.178 4.498 4.320 -0.000 0.000 0.218 240 A C 2.449 180.061 177.584 0.046 0.000 1.175 240 A CA 2.033 54.086 52.037 0.027 0.000 0.628 240 A CB -0.844 18.155 19.000 -0.001 0.000 0.814 240 A HN 1.028 nan 8.150 nan 0.000 0.444 241 A N -0.202 122.628 122.820 0.017 0.000 1.929 241 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 241 A C 2.091 179.736 177.584 0.101 0.000 1.176 241 A CA 1.250 53.316 52.037 0.048 0.000 0.628 241 A CB -0.512 18.480 19.000 -0.013 0.000 0.816 241 A HN 0.466 nan 8.150 nan 0.000 0.444 242 I N -0.137 120.453 120.570 0.033 0.000 2.163 242 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 242 I C 2.401 178.589 176.117 0.118 0.000 1.085 242 I CA 1.268 62.583 61.300 0.024 0.000 1.347 242 I CB -0.318 37.654 38.000 -0.045 0.000 1.044 242 I HN 0.304 nan 8.210 nan 0.000 0.408 243 L N 0.137 121.449 121.223 0.148 0.000 2.017 243 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 243 L C 2.713 179.799 176.870 0.359 0.000 1.073 243 L CA 1.602 56.608 54.840 0.277 0.000 0.745 243 L CB -1.330 40.898 42.059 0.282 0.000 0.894 243 L HN 0.329 nan 8.230 nan 0.000 0.432 244 G N -0.403 108.549 108.800 0.252 0.000 2.459 244 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 244 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 244 G C 1.338 176.397 174.900 0.266 0.000 1.183 244 G CA 0.553 45.789 45.100 0.226 0.000 0.776 244 G HN 0.423 nan 8.290 nan 0.000 0.552 245 W N 1.213 122.563 121.300 0.083 0.000 2.332 245 W HA -0.121 4.539 4.660 -0.000 0.000 0.321 245 W C 2.302 178.862 176.519 0.068 0.000 1.219 245 W CA 1.142 58.527 57.345 0.067 0.000 1.277 245 W CB -0.647 28.830 29.460 0.028 0.000 1.161 245 W HN 0.123 nan 8.180 nan 0.000 0.476 246 I N 0.474 121.280 120.570 0.394 0.000 2.145 246 I HA -0.325 3.845 4.170 -0.000 0.000 0.244 246 I C 2.366 178.556 176.117 0.122 0.000 1.075 246 I CA 1.752 63.145 61.300 0.155 0.000 1.332 246 I CB -1.786 36.158 38.000 -0.093 0.000 1.033 246 I HN -0.120 nan 8.210 nan 0.000 0.410 247 F N 0.402 120.530 119.950 0.296 0.000 2.456 247 F HA 0.046 4.573 4.527 -0.000 0.000 0.298 247 F C 2.462 178.364 175.800 0.169 0.000 1.104 247 F CA 0.894 59.045 58.000 0.251 0.000 1.435 247 F CB -1.035 38.042 39.000 0.128 0.000 1.078 247 F HN 0.041 nan 8.300 nan 0.000 0.546 248 G N -0.437 108.517 108.800 0.257 0.000 2.424 248 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.214 248 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.214 248 G C 1.541 176.501 174.900 0.100 0.000 1.202 248 G CA 0.689 45.855 45.100 0.110 0.000 0.793 248 G HN 0.352 nan 8.290 nan 0.000 0.534 249 E N -0.857 119.392 120.200 0.082 0.000 2.097 249 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 249 E C 2.098 178.825 176.600 0.212 0.000 1.000 249 E CA 1.139 57.606 56.400 0.112 0.000 0.804 249 E CB -0.241 29.586 29.700 0.211 0.000 0.740 249 E HN 0.505 nan 8.360 nan 0.000 0.454 250 W N 0.916 122.240 121.300 0.040 0.000 2.358 250 W HA -0.054 4.606 4.660 -0.000 0.000 0.303 250 W C 2.198 178.751 176.519 0.056 0.000 1.208 250 W CA 1.867 59.231 57.345 0.032 0.000 1.274 250 W CB -0.813 28.645 29.460 -0.004 0.000 1.138 250 W HN 0.194 nan 8.180 nan 0.000 0.515 251 A N -0.426 122.562 122.820 0.279 0.000 1.929 251 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 251 A C 2.022 179.674 177.584 0.114 0.000 1.176 251 A CA 1.573 53.689 52.037 0.132 0.000 0.628 251 A CB -0.835 18.215 19.000 0.083 0.000 0.816 251 A HN 0.218 nan 8.150 nan 0.000 0.444 252 L N -1.333 119.957 121.223 0.112 0.000 2.162 252 L HA 0.087 4.427 4.340 -0.000 0.000 0.205 252 L C 2.234 179.154 176.870 0.082 0.000 1.086 252 L CA 1.441 56.327 54.840 0.078 0.000 0.778 252 L CB -0.146 41.943 42.059 0.051 0.000 0.928 252 L HN 0.234 nan 8.230 nan 0.000 0.446 253 R N -1.487 119.076 120.500 0.105 0.000 2.472 253 R HA 0.346 4.686 4.340 -0.000 0.000 0.279 253 R C 1.272 177.637 176.300 0.107 0.000 0.953 253 R CA 0.585 56.739 56.100 0.090 0.000 1.088 253 R CB 0.638 30.981 30.300 0.072 0.000 1.197 253 R HN 0.275 nan 8.270 nan 0.000 0.536 254 G N 1.195 110.100 108.800 0.175 0.000 2.304 254 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.252 254 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.252 254 G C 0.147 175.180 174.900 0.222 0.000 1.014 254 G CA 0.456 45.686 45.100 0.217 0.000 0.619 254 G HN 0.288 nan 8.290 nan 0.000 0.525 255 K N 1.078 121.508 120.400 0.050 0.000 2.427 255 K HA 0.530 4.850 4.320 -0.000 0.000 0.252 255 K C -2.879 173.507 176.600 -0.356 0.000 0.931 255 K CA -1.983 54.169 56.287 -0.226 0.000 0.793 255 K CB 3.230 35.640 32.500 -0.150 0.000 1.211 255 K HN 0.002 nan 8.250 nan 0.000 0.426 256 P HA 0.048 nan 4.420 nan 0.000 0.287 256 P C -0.831 176.268 177.300 -0.335 0.000 1.294 256 P CA -0.367 62.401 63.100 -0.552 0.000 0.776 256 P CB 1.171 32.285 31.700 -0.976 0.000 0.889 257 S N 3.088 118.690 115.700 -0.163 0.000 2.651 257 S HA 0.280 4.750 4.470 -0.000 0.000 0.291 257 S C 1.016 175.530 174.600 -0.144 0.000 1.141 257 S CA -0.716 57.404 58.200 -0.134 0.000 1.027 257 S CB 1.097 64.262 63.200 -0.057 0.000 1.043 257 S HN 0.260 nan 8.310 nan 0.000 0.530 258 L N 1.884 123.023 121.223 -0.141 0.000 2.027 258 L HA 0.097 4.437 4.340 -0.000 0.000 0.206 258 L C 2.105 178.900 176.870 -0.124 0.000 1.074 258 L CA 1.637 56.396 54.840 -0.136 0.000 0.745 258 L CB -1.005 40.972 42.059 -0.137 0.000 0.898 258 L HN 0.802 nan 8.230 nan 0.000 0.433 259 L N 0.121 121.277 121.223 -0.112 0.000 2.079 259 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 259 L C 2.298 179.013 176.870 -0.259 0.000 1.081 259 L CA 2.044 56.809 54.840 -0.127 0.000 0.752 259 L CB -1.453 40.561 42.059 -0.076 0.000 0.896 259 L HN 0.371 nan 8.230 nan 0.000 0.433 260 G N -1.355 107.296 108.800 -0.248 0.000 2.421 260 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 260 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 260 G C 1.621 176.048 174.900 -0.788 0.000 1.171 260 G CA 0.806 45.587 45.100 -0.532 0.000 0.775 260 G HN 0.604 nan 8.290 nan 0.000 0.543 261 A N 0.049 122.653 122.820 -0.360 0.000 1.883 261 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 261 A C 2.601 180.020 177.584 -0.276 0.000 1.186 261 A CA 1.901 53.783 52.037 -0.259 0.000 0.624 261 A CB -1.062 17.849 19.000 -0.150 0.000 0.822 261 A HN 0.433 nan 8.150 nan 0.000 0.444 262 C N -0.778 118.390 119.300 -0.221 0.000 2.429 262 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 262 C C 3.264 178.105 174.990 -0.248 0.000 1.262 262 C CA 1.271 60.207 59.018 -0.138 0.000 1.733 262 C CB -1.272 26.478 27.740 0.016 0.000 2.010 262 C HN 0.619 nan 8.230 nan 0.000 0.483 263 S N 0.698 116.107 115.700 -0.485 0.000 2.382 263 S HA -0.065 4.404 4.470 -0.000 0.000 0.228 263 S C 2.076 176.277 174.600 -0.666 0.000 1.027 263 S CA 1.485 59.274 58.200 -0.685 0.000 0.991 263 S CB -0.661 61.749 63.200 -1.316 0.000 0.823 263 S HN 0.770 nan 8.310 nan 0.000 0.469 264 G N 1.533 109.913 108.800 -0.700 0.000 2.421 264 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.216 264 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.216 264 G C 1.596 176.393 174.900 -0.171 0.000 1.171 264 G CA 0.925 45.919 45.100 -0.177 0.000 0.775 264 G HN 0.569 nan 8.290 nan 0.000 0.543 265 A N 1.177 123.851 122.820 -0.243 0.000 1.873 265 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 265 A C 2.354 179.733 177.584 -0.341 0.000 1.193 265 A CA 1.813 53.683 52.037 -0.278 0.000 0.629 265 A CB -0.399 18.426 19.000 -0.292 0.000 0.826 265 A HN 0.280 nan 8.150 nan 0.000 0.447 266 I N -0.047 120.324 120.570 -0.333 0.000 2.226 266 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 266 I C 2.978 178.846 176.117 -0.415 0.000 1.100 266 I CA 1.373 62.431 61.300 -0.403 0.000 1.374 266 I CB -1.824 35.985 38.000 -0.317 0.000 1.057 266 I HN 0.375 nan 8.210 nan 0.000 0.413 267 A N 1.124 123.797 122.820 -0.245 0.000 1.892 267 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 267 A C 2.534 179.992 177.584 -0.210 0.000 1.188 267 A CA 2.162 54.108 52.037 -0.152 0.000 0.631 267 A CB -1.429 17.618 19.000 0.078 0.000 0.822 267 A HN 0.438 nan 8.150 nan 0.000 0.447 268 G N -0.520 108.150 108.800 -0.216 0.000 2.422 268 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 268 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 268 G C 1.561 176.242 174.900 -0.365 0.000 1.146 268 G CA 1.024 45.989 45.100 -0.224 0.000 0.769 268 G HN 0.437 nan 8.290 nan 0.000 0.547 269 L N 0.058 120.904 121.223 -0.628 0.000 2.056 269 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 269 L C 2.975 179.354 176.870 -0.819 0.000 1.078 269 L CA 0.349 54.522 54.840 -1.112 0.000 0.749 269 L CB -0.425 40.363 42.059 -2.118 0.000 0.901 269 L HN 0.077 nan 8.230 nan 0.000 0.433 270 V N 0.124 119.651 119.914 -0.644 0.000 2.295 270 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 270 V C 2.607 178.566 176.094 -0.227 0.000 1.049 270 V CA 2.060 64.066 62.300 -0.491 0.000 1.024 270 V CB -1.196 30.281 31.823 -0.576 0.000 0.648 270 V HN 0.566 nan 8.190 nan 0.000 0.447 271 G N -1.028 107.666 108.800 -0.176 0.000 2.422 271 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 271 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 271 G C 1.680 176.590 174.900 0.016 0.000 1.146 271 G CA 1.187 46.255 45.100 -0.052 0.000 0.769 271 G HN 0.392 nan 8.290 nan 0.000 0.547 272 V N 0.506 120.406 119.914 -0.024 0.000 3.235 272 V HA -0.015 4.105 4.120 -0.000 0.000 0.259 272 V C 2.882 179.088 176.094 0.187 0.000 1.133 272 V CA 1.965 64.292 62.300 0.044 0.000 1.128 272 V CB -0.401 31.399 31.823 -0.037 0.000 0.757 272 V HN 0.377 nan 8.190 nan 0.000 0.469 273 T N 1.967 116.687 114.554 0.277 0.000 2.653 273 T HA -0.118 4.231 4.350 -0.000 0.000 0.268 273 T C -0.282 174.770 174.700 0.587 0.000 1.035 273 T CA 2.298 64.743 62.100 0.576 0.000 1.154 273 T CB -1.076 68.313 68.868 0.869 0.000 0.862 273 T HN 0.559 nan 8.240 nan 0.000 0.441 274 P HA 0.253 nan 4.420 nan 0.000 0.231 274 P C 0.976 178.587 177.300 0.519 0.000 1.168 274 P CA 0.746 64.157 63.100 0.518 0.000 0.779 274 P CB 0.021 31.969 31.700 0.413 0.000 0.844 275 A N 0.289 123.339 122.820 0.383 0.000 1.956 275 A HA -0.044 4.276 4.320 -0.000 0.000 0.212 275 A C 2.434 180.120 177.584 0.171 0.000 1.188 275 A CA 1.010 53.241 52.037 0.323 0.000 0.675 275 A CB -1.747 17.388 19.000 0.225 0.000 0.845 275 A HN 0.370 nan 8.150 nan 0.000 0.455 276 C N -0.659 118.705 119.300 0.106 0.000 2.365 276 C HA -0.197 4.263 4.460 -0.000 0.000 0.269 276 C C 2.592 177.366 174.990 -0.360 0.000 1.131 276 C CA 1.083 60.076 59.018 -0.042 0.000 1.827 276 C CB -1.810 25.978 27.740 0.081 0.000 2.131 276 C HN 0.555 nan 8.230 nan 0.000 0.450 277 G N -1.904 106.277 108.800 -1.031 0.000 2.572 277 G HA2 0.137 4.097 3.960 -0.000 0.000 0.216 277 G HA3 0.137 4.097 3.960 -0.000 0.000 0.216 277 G C 1.086 175.468 174.900 -0.863 0.000 1.133 277 G CA 0.827 44.898 45.100 -1.715 0.000 0.791 277 G HN 0.706 nan 8.290 nan 0.000 0.538 278 Y N 0.385 120.523 120.300 -0.270 0.000 2.481 278 Y HA 0.362 4.912 4.550 -0.000 0.000 0.258 278 Y C 1.430 177.309 175.900 -0.034 0.000 1.103 278 Y CA -1.147 56.913 58.100 -0.068 0.000 1.287 278 Y CB 0.120 38.612 38.460 0.053 0.000 1.108 278 Y HN 0.199 nan 8.280 nan 0.000 0.529 279 I N -2.005 118.629 120.570 0.107 0.000 2.947 279 I HA 0.846 5.016 4.170 -0.000 0.000 0.314 279 I C 0.649 176.787 176.117 0.036 0.000 1.028 279 I CA -1.189 60.166 61.300 0.092 0.000 1.077 279 I CB 1.247 39.311 38.000 0.107 0.000 1.274 279 I HN -0.026 nan 8.210 nan 0.000 0.485 280 G N 0.854 109.680 108.800 0.043 0.000 2.522 280 G HA2 0.367 4.327 3.960 -0.000 0.000 0.304 280 G HA3 0.367 4.327 3.960 -0.000 0.000 0.304 280 G C 0.487 175.391 174.900 0.006 0.000 1.210 280 G CA -0.454 44.661 45.100 0.024 0.000 0.960 280 G HN 0.665 nan 8.290 nan 0.000 0.497 281 V N 1.131 121.051 119.914 0.009 0.000 2.392 281 V HA -0.093 4.027 4.120 -0.000 0.000 0.249 281 V C 2.631 178.711 176.094 -0.023 0.000 1.059 281 V CA 3.158 65.459 62.300 0.002 0.000 1.051 281 V CB -0.809 31.025 31.823 0.019 0.000 0.658 281 V HN 0.840 nan 8.190 nan 0.000 0.455 282 G N -0.558 108.232 108.800 -0.017 0.000 2.433 282 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 282 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 282 G C 1.604 176.428 174.900 -0.126 0.000 1.186 282 G CA 0.804 45.885 45.100 -0.033 0.000 0.779 282 G HN 0.673 nan 8.290 nan 0.000 0.543 283 G N 0.992 109.696 108.800 -0.161 0.000 2.422 283 G HA2 0.058 4.018 3.960 -0.000 0.000 0.218 283 G HA3 0.058 4.018 3.960 -0.000 0.000 0.218 283 G C 2.019 176.649 174.900 -0.451 0.000 1.146 283 G CA 1.479 46.270 45.100 -0.514 0.000 0.769 283 G HN 0.668 nan 8.290 nan 0.000 0.547 284 A N 0.198 122.897 122.820 -0.201 0.000 1.972 284 A HA 0.143 4.463 4.320 -0.000 0.000 0.219 284 A C 2.333 179.838 177.584 -0.132 0.000 1.169 284 A CA 1.301 53.258 52.037 -0.133 0.000 0.635 284 A CB -0.296 18.670 19.000 -0.057 0.000 0.810 284 A HN 0.399 nan 8.150 nan 0.000 0.446 285 L N -0.720 120.426 121.223 -0.128 0.000 2.044 285 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 285 L C 2.358 179.156 176.870 -0.120 0.000 1.075 285 L CA 1.206 55.991 54.840 -0.091 0.000 0.747 285 L CB -0.205 41.819 42.059 -0.059 0.000 0.903 285 L HN 0.399 nan 8.230 nan 0.000 0.435 286 I N -0.222 120.225 120.570 -0.205 0.000 2.179 286 I HA -0.352 3.818 4.170 -0.000 0.000 0.242 286 I C 2.372 178.374 176.117 -0.192 0.000 1.088 286 I CA 1.502 62.675 61.300 -0.210 0.000 1.357 286 I CB -0.222 37.584 38.000 -0.324 0.000 1.051 286 I HN 0.215 nan 8.210 nan 0.000 0.409 287 I N 0.613 121.018 120.570 -0.274 0.000 2.264 287 I HA -0.258 3.911 4.170 -0.000 0.000 0.248 287 I C 2.592 178.662 176.117 -0.078 0.000 1.111 287 I CA 1.642 62.853 61.300 -0.149 0.000 1.382 287 I CB -0.804 37.116 38.000 -0.134 0.000 1.060 287 I HN 0.315 nan 8.210 nan 0.000 0.418 288 G N 0.344 109.094 108.800 -0.083 0.000 2.433 288 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 288 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 288 G C 1.691 176.583 174.900 -0.014 0.000 1.186 288 G CA 0.872 45.941 45.100 -0.052 0.000 0.779 288 G HN 0.226 nan 8.290 nan 0.000 0.543 289 V N 0.603 120.511 119.914 -0.010 0.000 2.282 289 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 289 V C 3.091 179.199 176.094 0.024 0.000 1.057 289 V CA 1.775 64.087 62.300 0.020 0.000 1.032 289 V CB -0.594 31.235 31.823 0.010 0.000 0.645 289 V HN 0.247 nan 8.190 nan 0.000 0.447 290 V N 0.174 120.091 119.914 0.005 0.000 2.343 290 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 290 V C 2.677 178.784 176.094 0.021 0.000 1.051 290 V CA 1.985 64.290 62.300 0.010 0.000 1.036 290 V CB -1.200 30.631 31.823 0.013 0.000 0.654 290 V HN 0.569 nan 8.190 nan 0.000 0.451 291 A N 0.578 123.409 122.820 0.019 0.000 1.902 291 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 291 A C 2.423 180.053 177.584 0.077 0.000 1.181 291 A CA 1.956 54.010 52.037 0.029 0.000 0.623 291 A CB -1.227 17.766 19.000 -0.012 0.000 0.818 291 A HN 0.518 nan 8.150 nan 0.000 0.443 292 G N -0.070 108.789 108.800 0.100 0.000 2.433 292 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 292 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 292 G C 1.565 176.542 174.900 0.129 0.000 1.186 292 G CA 1.069 46.298 45.100 0.215 0.000 0.779 292 G HN 0.426 nan 8.290 nan 0.000 0.543 293 L N 0.758 122.008 121.223 0.045 0.000 2.042 293 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 293 L C 3.421 180.283 176.870 -0.013 0.000 1.076 293 L CA 1.078 55.899 54.840 -0.031 0.000 0.749 293 L CB -0.409 41.642 42.059 -0.013 0.000 0.893 293 L HN 0.316 nan 8.230 nan 0.000 0.432 294 A N 0.253 123.101 122.820 0.046 0.000 1.902 294 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 294 A C 2.418 180.124 177.584 0.203 0.000 1.181 294 A CA 1.685 53.803 52.037 0.135 0.000 0.623 294 A CB -1.254 17.806 19.000 0.101 0.000 0.818 294 A HN 0.438 nan 8.150 nan 0.000 0.443 295 G N 0.014 108.895 108.800 0.135 0.000 2.421 295 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.216 295 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.216 295 G C 1.492 176.356 174.900 -0.060 0.000 1.171 295 G CA 1.251 46.467 45.100 0.194 0.000 0.775 295 G HN 0.532 nan 8.290 nan 0.000 0.543 296 L N -0.224 120.649 121.223 -0.583 0.000 2.013 296 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 296 L C 2.460 179.145 176.870 -0.309 0.000 1.073 296 L CA 2.244 56.472 54.840 -1.020 0.000 0.753 296 L CB -0.886 40.532 42.059 -1.069 0.000 0.890 296 L HN 0.474 nan 8.230 nan 0.000 0.432 297 W N 0.426 121.574 121.300 -0.253 0.000 2.363 297 W HA -0.027 4.633 4.660 -0.000 0.000 0.296 297 W C 2.212 178.709 176.519 -0.036 0.000 1.212 297 W CA 2.087 59.365 57.345 -0.112 0.000 1.260 297 W CB -0.780 28.639 29.460 -0.069 0.000 1.131 297 W HN 0.227 nan 8.180 nan 0.000 0.530 298 G N 0.493 109.260 108.800 -0.055 0.000 2.422 298 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 298 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 298 G C 1.329 176.143 174.900 -0.144 0.000 1.146 298 G CA 2.015 46.997 45.100 -0.197 0.000 0.769 298 G HN 0.576 nan 8.290 nan 0.000 0.547 299 V N -2.493 117.400 119.914 -0.035 0.000 3.649 299 V HA 0.259 4.379 4.120 -0.000 0.000 0.275 299 V C 1.809 177.888 176.094 -0.024 0.000 1.281 299 V CA 1.641 63.965 62.300 0.041 0.000 1.143 299 V CB 0.105 32.053 31.823 0.209 0.000 0.892 299 V HN 0.176 nan 8.190 nan 0.000 0.441 300 T N 0.159 114.641 114.554 -0.120 0.000 3.499 300 T HA 0.281 4.631 4.350 -0.000 0.000 0.227 300 T C 1.698 176.297 174.700 -0.168 0.000 0.946 300 T CA 0.917 62.954 62.100 -0.105 0.000 1.368 300 T CB -0.057 68.765 68.868 -0.076 0.000 1.227 300 T HN 0.222 nan 8.240 nan 0.000 0.398 301 M N 1.508 120.941 119.600 -0.278 0.000 2.288 301 M HA 0.221 4.701 4.480 -0.000 0.000 0.266 301 M C 2.159 178.191 176.300 -0.447 0.000 1.072 301 M CA 0.854 55.986 55.300 -0.281 0.000 1.132 301 M CB -1.196 31.346 32.600 -0.097 0.000 1.386 301 M HN 0.125 nan 8.290 nan 0.000 0.432 302 L N 0.372 121.083 121.223 -0.854 0.000 2.109 302 L HA -0.132 4.207 4.340 -0.000 0.000 0.207 302 L C 2.265 178.958 176.870 -0.295 0.000 1.086 302 L CA 1.505 55.913 54.840 -0.719 0.000 0.760 302 L CB -0.527 40.860 42.059 -1.121 0.000 0.910 302 L HN 0.329 nan 8.230 nan 0.000 0.437 303 K N -0.541 119.731 120.400 -0.213 0.000 2.097 303 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 303 K C 2.072 178.640 176.600 -0.054 0.000 1.050 303 K CA 0.786 57.025 56.287 -0.080 0.000 0.938 303 K CB 0.157 32.642 32.500 -0.025 0.000 0.718 303 K HN 0.154 nan 8.250 nan 0.000 0.442 304 R N 0.723 121.183 120.500 -0.065 0.000 2.092 304 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 304 R C 2.167 178.452 176.300 -0.025 0.000 1.119 304 R CA 0.646 56.732 56.100 -0.023 0.000 0.970 304 R CB -0.930 29.359 30.300 -0.018 0.000 0.864 304 R HN 0.215 nan 8.270 nan 0.000 0.440 305 L N 0.605 121.797 121.223 -0.051 0.000 2.093 305 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 305 L C 1.846 178.698 176.870 -0.031 0.000 1.085 305 L CA 1.617 56.440 54.840 -0.029 0.000 0.755 305 L CB -0.338 41.708 42.059 -0.022 0.000 0.904 305 L HN 0.086 nan 8.230 nan 0.000 0.435 306 L N -0.707 120.484 121.223 -0.054 0.000 2.446 306 L HA 0.064 4.404 4.340 -0.000 0.000 0.219 306 L C 0.585 177.432 176.870 -0.038 0.000 1.116 306 L CA -0.026 54.775 54.840 -0.064 0.000 0.844 306 L CB -0.261 41.727 42.059 -0.118 0.000 0.970 306 L HN 0.250 nan 8.230 nan 0.000 0.457 307 R N 0.130 120.613 120.500 -0.028 0.000 3.322 307 R HA -0.147 4.193 4.340 -0.000 0.000 0.253 307 R C -0.764 175.492 176.300 -0.074 0.000 0.987 307 R CA 0.138 56.219 56.100 -0.032 0.000 0.666 307 R CB -2.529 27.759 30.300 -0.021 0.000 1.072 307 R HN 0.149 nan 8.270 nan 0.000 0.447 308 V N 0.470 120.340 119.914 -0.075 0.000 2.680 308 V HA 0.177 4.297 4.120 -0.000 0.000 0.309 308 V C 0.276 176.284 176.094 -0.144 0.000 1.052 308 V CA -0.747 61.489 62.300 -0.106 0.000 0.908 308 V CB 2.336 34.135 31.823 -0.040 0.000 1.001 308 V HN 0.066 nan 8.190 nan 0.000 0.431 309 D N 2.919 123.174 120.400 -0.240 0.000 2.494 309 D HA 0.142 4.782 4.640 -0.000 0.000 0.217 309 D C -0.559 175.670 176.300 -0.118 0.000 1.153 309 D CA -0.080 53.794 54.000 -0.210 0.000 0.954 309 D CB 0.271 40.832 40.800 -0.397 0.000 1.034 309 D HN 0.494 nan 8.370 nan 0.000 0.518 310 D N 3.870 124.240 120.400 -0.049 0.000 2.485 310 D HA 0.213 4.853 4.640 -0.000 0.000 0.221 310 D C -1.825 174.463 176.300 -0.020 0.000 1.112 310 D CA -2.314 51.665 54.000 -0.034 0.000 0.911 310 D CB 1.621 42.433 40.800 0.021 0.000 1.019 310 D HN 0.140 nan 8.370 nan 0.000 0.516 311 P HA -0.053 nan 4.420 nan 0.000 0.217 311 P C 0.903 178.182 177.300 -0.034 0.000 1.150 311 P CA 0.748 63.819 63.100 -0.048 0.000 0.832 311 P CB 0.329 31.986 31.700 -0.070 0.000 0.787 312 C N -1.261 117.993 119.300 -0.076 0.000 2.754 312 C HA 0.178 4.638 4.460 -0.000 0.000 0.276 312 C C 0.248 175.314 174.990 0.127 0.000 1.264 312 C CA -0.499 58.500 59.018 -0.031 0.000 1.700 312 C CB -1.817 25.731 27.740 -0.320 0.000 1.885 312 C HN 0.344 nan 8.230 nan 0.000 0.607 313 D N 0.581 121.049 120.400 0.112 0.000 2.689 313 D HA -0.134 4.506 4.640 -0.000 0.000 0.237 313 D C 1.122 177.584 176.300 0.271 0.000 1.148 313 D CA 0.577 54.688 54.000 0.185 0.000 0.656 313 D CB -0.952 39.969 40.800 0.202 0.000 1.050 313 D HN 0.328 nan 8.370 nan 0.000 0.426 314 V N -0.610 119.449 119.914 0.242 0.000 2.295 314 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 314 V C 2.082 178.388 176.094 0.353 0.000 1.049 314 V CA 2.111 64.595 62.300 0.307 0.000 1.024 314 V CB -0.504 31.415 31.823 0.160 0.000 0.648 314 V HN 0.407 nan 8.190 nan 0.000 0.447 315 F N 1.858 121.910 119.950 0.170 0.000 2.206 315 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 315 F C 2.210 178.107 175.800 0.162 0.000 1.090 315 F CA 1.347 59.446 58.000 0.164 0.000 1.323 315 F CB -0.577 38.485 39.000 0.103 0.000 1.028 315 F HN 0.143 nan 8.300 nan 0.000 0.492 316 G N -0.436 108.523 108.800 0.264 0.000 2.470 316 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 316 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 316 G C 1.428 176.389 174.900 0.102 0.000 1.121 316 G CA 1.304 46.497 45.100 0.155 0.000 0.766 316 G HN 0.354 nan 8.290 nan 0.000 0.553 317 V N -0.740 119.256 119.914 0.136 0.000 2.599 317 V HA 0.066 4.186 4.120 -0.000 0.000 0.237 317 V C 2.224 178.279 176.094 -0.064 0.000 1.081 317 V CA 0.785 63.130 62.300 0.074 0.000 1.107 317 V CB -0.521 31.366 31.823 0.107 0.000 0.808 317 V HN 0.353 nan 8.190 nan 0.000 0.486 318 H N 0.289 119.388 119.070 0.047 0.000 2.470 318 H HA 0.036 4.592 4.556 -0.000 0.000 0.289 318 H C 2.250 177.568 175.328 -0.017 0.000 1.033 318 H CA 1.420 57.507 56.048 0.065 0.000 1.331 318 H CB 0.065 29.950 29.762 0.204 0.000 1.414 318 H HN 0.489 nan 8.280 nan 0.000 0.545 319 G N 0.447 109.155 108.800 -0.153 0.000 2.417 319 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.212 319 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.212 319 G C 1.881 176.526 174.900 -0.426 0.000 1.187 319 G CA 0.555 45.339 45.100 -0.527 0.000 0.804 319 G HN 0.175 nan 8.290 nan 0.000 0.534 320 V N 0.757 120.411 119.914 -0.433 0.000 2.295 320 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 320 V C 3.039 179.130 176.094 -0.004 0.000 1.049 320 V CA 1.920 64.158 62.300 -0.104 0.000 1.024 320 V CB -0.569 31.287 31.823 0.055 0.000 0.648 320 V HN 0.503 nan 8.190 nan 0.000 0.447 321 C N 0.437 119.724 119.300 -0.023 0.000 2.450 321 C HA 0.064 4.523 4.460 -0.000 0.000 0.279 321 C C 2.841 177.834 174.990 0.004 0.000 1.335 321 C CA 0.349 59.359 59.018 -0.013 0.000 1.749 321 C CB -1.627 26.074 27.740 -0.065 0.000 1.963 321 C HN 0.680 nan 8.230 nan 0.000 0.501 322 G N 1.075 109.889 108.800 0.024 0.000 2.404 322 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 322 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 322 G C 1.455 176.428 174.900 0.123 0.000 1.174 322 G CA 0.754 45.924 45.100 0.117 0.000 0.780 322 G HN 0.509 nan 8.290 nan 0.000 0.537 323 I N 0.351 120.975 120.570 0.090 0.000 2.163 323 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 323 I C 2.801 178.977 176.117 0.097 0.000 1.085 323 I CA 0.629 61.989 61.300 0.099 0.000 1.347 323 I CB -0.478 37.578 38.000 0.093 0.000 1.044 323 I HN 0.021 nan 8.210 nan 0.000 0.408 324 V N 1.211 121.174 119.914 0.082 0.000 2.282 324 V HA -0.281 3.838 4.120 -0.000 0.000 0.249 324 V C 2.593 178.748 176.094 0.101 0.000 1.057 324 V CA 2.403 64.751 62.300 0.080 0.000 1.032 324 V CB -1.421 30.438 31.823 0.061 0.000 0.645 324 V HN 0.614 nan 8.190 nan 0.000 0.447 325 G N -1.412 107.450 108.800 0.104 0.000 2.421 325 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 325 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 325 G C 1.718 176.721 174.900 0.172 0.000 1.171 325 G CA 1.330 46.510 45.100 0.133 0.000 0.775 325 G HN 0.555 nan 8.290 nan 0.000 0.543 326 C N 0.144 119.545 119.300 0.169 0.000 2.435 326 C HA 0.140 4.600 4.460 -0.000 0.000 0.279 326 C C 2.784 177.858 174.990 0.141 0.000 1.321 326 C CA 0.214 59.334 59.018 0.169 0.000 1.752 326 C CB -0.898 26.934 27.740 0.154 0.000 1.959 326 C HN 0.455 nan 8.230 nan 0.000 0.500 327 I N 0.056 120.701 120.570 0.125 0.000 2.333 327 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 327 I C 2.427 178.624 176.117 0.133 0.000 1.106 327 I CA 1.434 62.797 61.300 0.106 0.000 1.411 327 I CB -0.265 37.786 38.000 0.085 0.000 1.082 327 I HN 0.258 nan 8.210 nan 0.000 0.420 328 M N -0.267 119.438 119.600 0.176 0.000 2.476 328 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 328 M C 1.992 178.488 176.300 0.327 0.000 1.079 328 M CA 1.253 56.719 55.300 0.276 0.000 1.104 328 M CB -0.320 32.467 32.600 0.312 0.000 1.409 328 M HN 0.186 nan 8.290 nan 0.000 0.467 329 T N -0.133 114.569 114.554 0.247 0.000 2.857 329 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 329 T C 1.754 176.585 174.700 0.217 0.000 1.048 329 T CA 1.470 63.719 62.100 0.248 0.000 1.139 329 T CB -0.392 68.620 68.868 0.241 0.000 0.874 329 T HN 0.614 nan 8.240 nan 0.000 0.455 330 G N 0.159 109.067 108.800 0.181 0.000 2.679 330 G HA2 0.079 4.039 3.960 -0.000 0.000 0.212 330 G HA3 0.079 4.039 3.960 -0.000 0.000 0.212 330 G C 1.241 176.273 174.900 0.220 0.000 1.137 330 G CA 0.210 45.419 45.100 0.182 0.000 0.787 330 G HN 0.466 nan 8.290 nan 0.000 0.534 331 I N -1.497 119.157 120.570 0.140 0.000 3.132 331 I HA 0.232 4.402 4.170 -0.000 0.000 0.255 331 I C 1.539 177.568 176.117 -0.147 0.000 1.118 331 I CA 0.024 61.299 61.300 -0.041 0.000 1.463 331 I CB 0.116 37.957 38.000 -0.265 0.000 1.356 331 I HN -0.006 nan 8.210 nan 0.000 0.463 332 F N 1.280 121.282 119.950 0.087 0.000 2.802 332 F HA 0.082 4.609 4.527 -0.000 0.000 0.300 332 F C 2.295 178.087 175.800 -0.012 0.000 1.168 332 F CA 0.647 58.669 58.000 0.038 0.000 1.433 332 F CB -0.517 38.510 39.000 0.045 0.000 1.115 332 F HN -0.001 nan 8.300 nan 0.000 0.582 333 A N 0.241 123.108 122.820 0.078 0.000 2.119 333 A HA 0.376 4.696 4.320 -0.000 0.000 0.216 333 A C 1.599 178.907 177.584 -0.459 0.000 1.152 333 A CA 0.487 52.476 52.037 -0.081 0.000 0.708 333 A CB -0.847 18.123 19.000 -0.050 0.000 0.805 333 A HN 0.147 nan 8.150 nan 0.000 0.460 334 A N -0.309 122.149 122.820 -0.604 0.000 2.498 334 A HA 0.385 4.705 4.320 -0.000 0.000 0.239 334 A C 1.444 178.832 177.584 -0.326 0.000 1.068 334 A CA 0.428 52.014 52.037 -0.752 0.000 0.766 334 A CB 0.112 18.927 19.000 -0.309 0.000 1.003 334 A HN 0.315 nan 8.150 nan 0.000 0.497 335 S N 0.937 116.476 115.700 -0.268 0.000 2.382 335 S HA -0.165 4.304 4.470 -0.000 0.000 0.228 335 S C 2.265 176.831 174.600 -0.057 0.000 1.027 335 S CA 1.813 59.944 58.200 -0.116 0.000 0.991 335 S CB -0.351 62.804 63.200 -0.075 0.000 0.823 335 S HN 1.161 nan 8.310 nan 0.000 0.469 336 S N 0.931 116.602 115.700 -0.048 0.000 2.507 336 S HA 0.097 4.567 4.470 -0.000 0.000 0.235 336 S C 1.110 175.709 174.600 -0.001 0.000 0.988 336 S CA 0.597 58.788 58.200 -0.014 0.000 0.944 336 S CB -0.369 62.830 63.200 -0.002 0.000 0.762 336 S HN 0.465 nan 8.310 nan 0.000 0.526 337 L N 0.546 121.768 121.223 -0.003 0.000 2.910 337 L HA 0.444 4.784 4.340 -0.000 0.000 0.252 337 L C 1.500 178.434 176.870 0.106 0.000 1.195 337 L CA 0.160 55.037 54.840 0.062 0.000 1.003 337 L CB 0.047 42.135 42.059 0.049 0.000 1.328 337 L HN 0.521 nan 8.230 nan 0.000 0.540 338 G N -0.100 108.730 108.800 0.050 0.000 2.175 338 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 338 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 338 G C 0.584 175.505 174.900 0.036 0.000 0.982 338 G CA -0.140 44.988 45.100 0.046 0.000 0.641 338 G HN 0.506 nan 8.290 nan 0.000 0.527 339 G N -1.196 107.613 108.800 0.016 0.000 2.621 339 G HA2 0.503 4.463 3.960 -0.000 0.000 0.271 339 G HA3 0.503 4.463 3.960 -0.000 0.000 0.271 339 G C 1.105 175.991 174.900 -0.024 0.000 1.236 339 G CA 0.436 45.535 45.100 -0.002 0.000 0.958 339 G HN 0.835 nan 8.290 nan 0.000 0.512 340 V N -0.018 119.895 119.914 -0.002 0.000 3.306 340 V HA 0.410 4.530 4.120 -0.000 0.000 0.264 340 V C 1.332 177.415 176.094 -0.020 0.000 1.149 340 V CA 1.814 64.124 62.300 0.017 0.000 1.143 340 V CB -0.990 30.881 31.823 0.080 0.000 0.767 340 V HN 1.803 nan 8.190 nan 0.000 0.476 341 G N -0.650 108.069 108.800 -0.134 0.000 2.675 341 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 341 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 341 G C -0.620 174.168 174.900 -0.186 0.000 1.215 341 G CA -0.468 44.497 45.100 -0.226 0.000 0.777 341 G HN 0.156 nan 8.290 nan 0.000 0.638 342 F N 0.986 120.958 119.950 0.037 0.000 2.352 342 F HA 0.679 5.206 4.527 -0.000 0.000 0.304 342 F C 1.414 177.236 175.800 0.036 0.000 1.215 342 F CA 0.252 58.265 58.000 0.022 0.000 1.121 342 F CB 0.286 39.297 39.000 0.017 0.000 1.329 342 F HN 0.933 nan 8.300 nan 0.000 0.528 343 A N -0.056 122.918 122.820 0.258 0.000 2.407 343 A HA 0.181 4.501 4.320 -0.000 0.000 0.248 343 A C 0.022 177.682 177.584 0.126 0.000 1.082 343 A CA -0.565 51.565 52.037 0.154 0.000 0.785 343 A CB -0.352 18.721 19.000 0.122 0.000 1.020 343 A HN 0.751 nan 8.150 nan 0.000 0.489 344 E N 0.183 120.434 120.200 0.085 0.000 2.608 344 E HA 0.251 4.601 4.350 -0.000 0.000 0.259 344 E C 1.209 177.826 176.600 0.029 0.000 0.951 344 E CA 1.290 57.725 56.400 0.059 0.000 0.945 344 E CB 0.118 29.843 29.700 0.041 0.000 0.916 344 E HN 1.298 nan 8.360 nan 0.000 0.477 345 G N 2.010 110.822 108.800 0.020 0.000 2.159 345 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.256 345 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.256 345 G C 0.100 174.956 174.900 -0.073 0.000 0.977 345 G CA 0.052 45.136 45.100 -0.026 0.000 0.652 345 G HN 0.439 nan 8.290 nan 0.000 0.531 346 V N 2.070 121.963 119.914 -0.034 0.000 2.398 346 V HA 0.700 4.820 4.120 -0.000 0.000 0.286 346 V C 0.980 176.991 176.094 -0.140 0.000 1.026 346 V CA 0.190 62.424 62.300 -0.110 0.000 0.868 346 V CB 1.545 33.341 31.823 -0.045 0.000 0.982 346 V HN 0.697 nan 8.190 nan 0.000 0.443 347 T N 2.122 116.556 114.554 -0.200 0.000 2.912 347 T HA 0.385 4.735 4.350 -0.000 0.000 0.280 347 T C 1.125 175.541 174.700 -0.473 0.000 0.989 347 T CA -0.453 61.525 62.100 -0.203 0.000 0.995 347 T CB 1.272 70.088 68.868 -0.086 0.000 1.077 347 T HN 0.551 nan 8.240 nan 0.000 0.531 348 M N 0.876 120.260 119.600 -0.360 0.000 2.132 348 M HA 0.085 4.565 4.480 -0.000 0.000 0.263 348 M C 2.252 178.424 176.300 -0.214 0.000 1.065 348 M CA 2.300 57.382 55.300 -0.362 0.000 1.122 348 M CB -1.070 31.521 32.600 -0.014 0.000 1.365 348 M HN 0.909 nan 8.290 nan 0.000 0.411 349 G N -0.532 108.201 108.800 -0.111 0.000 2.440 349 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 349 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 349 G C 1.505 176.364 174.900 -0.068 0.000 1.154 349 G CA 1.311 46.372 45.100 -0.065 0.000 0.767 349 G HN 0.656 nan 8.290 nan 0.000 0.552 350 H N 0.160 119.133 119.070 -0.161 0.000 2.293 350 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 350 H C 2.655 177.886 175.328 -0.160 0.000 1.082 350 H CA 2.036 57.998 56.048 -0.143 0.000 1.308 350 H CB -0.061 29.613 29.762 -0.148 0.000 1.375 350 H HN 0.361 nan 8.280 nan 0.000 0.495 351 Q N 0.903 120.558 119.800 -0.242 0.000 2.096 351 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 351 Q C 2.790 178.678 176.000 -0.186 0.000 0.982 351 Q CA 1.502 57.147 55.803 -0.264 0.000 0.850 351 Q CB -0.462 28.022 28.738 -0.423 0.000 0.901 351 Q HN 0.536 nan 8.270 nan 0.000 0.422 352 L N -0.531 120.601 121.223 -0.152 0.000 2.012 352 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 352 L C 2.340 179.160 176.870 -0.083 0.000 1.073 352 L CA 1.240 56.032 54.840 -0.079 0.000 0.748 352 L CB -0.580 41.446 42.059 -0.055 0.000 0.891 352 L HN 0.300 nan 8.230 nan 0.000 0.431 353 L N -0.932 120.215 121.223 -0.126 0.000 2.083 353 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 353 L C 2.461 179.261 176.870 -0.117 0.000 1.083 353 L CA 0.832 55.604 54.840 -0.112 0.000 0.752 353 L CB -0.487 41.495 42.059 -0.128 0.000 0.899 353 L HN 0.114 nan 8.230 nan 0.000 0.433 354 V N -0.871 118.929 119.914 -0.191 0.000 2.515 354 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 354 V C 2.479 178.545 176.094 -0.047 0.000 1.058 354 V CA 1.262 63.486 62.300 -0.127 0.000 1.064 354 V CB -0.426 31.290 31.823 -0.178 0.000 0.675 354 V HN 0.465 nan 8.190 nan 0.000 0.461 355 Q N -0.265 119.513 119.800 -0.037 0.000 2.083 355 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 355 Q C 2.309 178.320 176.000 0.019 0.000 0.969 355 Q CA 1.299 57.108 55.803 0.011 0.000 0.838 355 Q CB -0.362 28.395 28.738 0.032 0.000 0.900 355 Q HN 0.521 nan 8.270 nan 0.000 0.436 356 L N 0.997 122.224 121.223 0.007 0.000 2.046 356 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 356 L C 2.589 179.473 176.870 0.023 0.000 1.077 356 L CA 1.450 56.302 54.840 0.021 0.000 0.747 356 L CB -0.452 41.614 42.059 0.011 0.000 0.896 356 L HN 0.304 nan 8.230 nan 0.000 0.432 357 E N -0.102 120.102 120.200 0.007 0.000 2.058 357 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 357 E C 2.217 178.823 176.600 0.009 0.000 0.997 357 E CA 1.726 58.132 56.400 0.010 0.000 0.801 357 E CB 0.063 29.765 29.700 0.002 0.000 0.746 357 E HN 0.404 nan 8.360 nan 0.000 0.450 358 S N 0.526 116.226 115.700 -0.000 0.000 2.359 358 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 358 S C 1.992 176.606 174.600 0.022 0.000 1.035 358 S CA 1.322 59.518 58.200 -0.008 0.000 1.018 358 S CB -0.263 62.933 63.200 -0.006 0.000 0.876 358 S HN 0.286 nan 8.310 nan 0.000 0.448 359 I N 1.610 122.209 120.570 0.049 0.000 2.179 359 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 359 I C 2.662 178.834 176.117 0.091 0.000 1.088 359 I CA 1.170 62.518 61.300 0.080 0.000 1.357 359 I CB -0.483 37.571 38.000 0.090 0.000 1.051 359 I HN 0.264 nan 8.210 nan 0.000 0.409 360 A N 0.897 123.763 122.820 0.077 0.000 1.883 360 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 360 A C 2.332 179.974 177.584 0.098 0.000 1.186 360 A CA 1.645 53.732 52.037 0.083 0.000 0.624 360 A CB -0.894 18.144 19.000 0.063 0.000 0.822 360 A HN 0.388 nan 8.150 nan 0.000 0.444 361 I N -0.463 120.160 120.570 0.089 0.000 2.179 361 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 361 I C 2.597 178.817 176.117 0.172 0.000 1.088 361 I CA 1.815 63.192 61.300 0.129 0.000 1.357 361 I CB -0.646 37.409 38.000 0.091 0.000 1.051 361 I HN 0.289 nan 8.210 nan 0.000 0.409 362 T N 1.214 115.833 114.554 0.107 0.000 2.746 362 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 362 T C 1.905 176.727 174.700 0.202 0.000 1.039 362 T CA 1.375 63.543 62.100 0.113 0.000 1.142 362 T CB -0.296 68.607 68.868 0.058 0.000 0.866 362 T HN 0.219 nan 8.240 nan 0.000 0.444 363 I N 0.797 121.480 120.570 0.188 0.000 2.099 363 I HA -0.192 3.978 4.170 -0.000 0.000 0.239 363 I C 2.524 178.760 176.117 0.199 0.000 1.066 363 I CA 1.151 62.575 61.300 0.206 0.000 1.324 363 I CB -0.544 37.563 38.000 0.178 0.000 1.037 363 I HN 0.081 nan 8.210 nan 0.000 0.401 364 V N 0.100 120.113 119.914 0.165 0.000 2.287 364 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 364 V C 2.124 178.313 176.094 0.159 0.000 1.053 364 V CA 1.857 64.231 62.300 0.123 0.000 1.027 364 V CB -0.768 31.102 31.823 0.079 0.000 0.646 364 V HN 0.593 nan 8.190 nan 0.000 0.447 365 W N 0.657 121.978 121.300 0.035 0.000 2.353 365 W HA -0.222 4.438 4.660 -0.000 0.000 0.319 365 W C 2.977 179.534 176.519 0.063 0.000 1.207 365 W CA 2.425 59.778 57.345 0.012 0.000 1.291 365 W CB -0.715 28.723 29.460 -0.037 0.000 1.159 365 W HN 0.359 nan 8.180 nan 0.000 0.478 366 S N 0.082 116.056 115.700 0.458 0.000 2.368 366 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 366 S C 2.069 176.963 174.600 0.489 0.000 1.030 366 S CA 2.136 60.640 58.200 0.507 0.000 0.999 366 S CB -0.953 62.583 63.200 0.560 0.000 0.844 366 S HN 0.290 nan 8.310 nan 0.000 0.459 367 G N 0.922 109.929 108.800 0.346 0.000 2.459 367 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 367 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 367 G C 1.514 176.568 174.900 0.258 0.000 1.183 367 G CA 1.211 46.474 45.100 0.272 0.000 0.776 367 G HN 0.467 nan 8.290 nan 0.000 0.552 368 V N 0.328 120.338 119.914 0.159 0.000 2.295 368 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 368 V C 3.055 179.280 176.094 0.218 0.000 1.049 368 V CA 1.590 63.960 62.300 0.116 0.000 1.024 368 V CB -0.394 31.405 31.823 -0.039 0.000 0.648 368 V HN 0.244 nan 8.190 nan 0.000 0.447 369 V N 0.108 120.140 119.914 0.196 0.000 2.427 369 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 369 V C 2.629 178.956 176.094 0.389 0.000 1.051 369 V CA 1.811 64.240 62.300 0.216 0.000 1.048 369 V CB -0.960 30.941 31.823 0.131 0.000 0.666 369 V HN 0.559 nan 8.190 nan 0.000 0.456 370 A N -0.497 122.673 122.820 0.582 0.000 1.898 370 A HA -0.211 4.108 4.320 -0.000 0.000 0.216 370 A C 2.086 180.055 177.584 0.641 0.000 1.181 370 A CA 1.741 54.205 52.037 0.712 0.000 0.620 370 A CB -0.689 18.764 19.000 0.755 0.000 0.819 370 A HN 0.477 nan 8.150 nan 0.000 0.442 371 F N 0.739 120.921 119.950 0.386 0.000 2.065 371 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 371 F C 1.996 177.948 175.800 0.254 0.000 1.112 371 F CA 1.830 60.011 58.000 0.302 0.000 1.212 371 F CB -0.400 38.704 39.000 0.173 0.000 0.975 371 F HN 0.192 nan 8.300 nan 0.000 0.476 372 I N -0.130 120.584 120.570 0.240 0.000 2.163 372 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 372 I C 2.752 178.906 176.117 0.062 0.000 1.085 372 I CA 1.612 62.964 61.300 0.086 0.000 1.347 372 I CB -1.275 36.786 38.000 0.103 0.000 1.044 372 I HN 0.291 nan 8.210 nan 0.000 0.408 373 G N -0.277 108.595 108.800 0.119 0.000 2.421 373 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 373 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 373 G C 1.458 176.446 174.900 0.148 0.000 1.171 373 G CA 0.669 45.822 45.100 0.089 0.000 0.775 373 G HN 0.262 nan 8.290 nan 0.000 0.543 374 Y N 1.244 121.706 120.300 0.270 0.000 2.181 374 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 374 Y C 2.840 178.721 175.900 -0.032 0.000 1.146 374 Y CA 1.298 59.453 58.100 0.091 0.000 1.164 374 Y CB -0.006 38.456 38.460 0.003 0.000 0.982 374 Y HN 0.009 nan 8.280 nan 0.000 0.515 375 K N 0.193 120.603 120.400 0.016 0.000 2.148 375 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 375 K C 2.181 178.758 176.600 -0.039 0.000 1.050 375 K CA 0.664 56.887 56.287 -0.106 0.000 0.942 375 K CB -0.836 31.476 32.500 -0.313 0.000 0.724 375 K HN 0.372 nan 8.250 nan 0.000 0.446 376 L N 0.707 121.926 121.223 -0.006 0.000 2.017 376 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 376 L C 2.297 179.178 176.870 0.019 0.000 1.073 376 L CA 1.537 56.380 54.840 0.005 0.000 0.745 376 L CB -0.456 41.612 42.059 0.014 0.000 0.894 376 L HN 0.121 nan 8.230 nan 0.000 0.432 377 A N -0.434 122.414 122.820 0.047 0.000 1.877 377 A HA -0.312 4.008 4.320 -0.000 0.000 0.216 377 A C 1.917 179.521 177.584 0.033 0.000 1.186 377 A CA 2.062 54.130 52.037 0.051 0.000 0.620 377 A CB -0.860 18.195 19.000 0.091 0.000 0.822 377 A HN 0.527 nan 8.150 nan 0.000 0.443 378 D N -0.942 119.476 120.400 0.029 0.000 2.221 378 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 378 D C 1.599 177.897 176.300 -0.004 0.000 0.982 378 D CA 0.988 54.992 54.000 0.006 0.000 0.857 378 D CB -0.120 40.673 40.800 -0.011 0.000 0.934 378 D HN 0.315 nan 8.370 nan 0.000 0.475 379 L N -0.622 120.598 121.223 -0.005 0.000 2.307 379 L HA 0.092 4.432 4.340 -0.000 0.000 0.211 379 L C 2.177 179.047 176.870 -0.001 0.000 1.099 379 L CA 1.602 56.438 54.840 -0.007 0.000 0.816 379 L CB -0.295 41.756 42.059 -0.013 0.000 0.952 379 L HN 0.157 nan 8.230 nan 0.000 0.455 380 T N -4.596 109.960 114.554 0.004 0.000 3.023 380 T HA 0.070 4.420 4.350 -0.000 0.000 0.249 380 T C 1.203 175.908 174.700 0.009 0.000 1.050 380 T CA 0.869 62.973 62.100 0.006 0.000 1.088 380 T CB 0.031 68.904 68.868 0.008 0.000 0.946 380 T HN 0.134 nan 8.240 nan 0.000 0.480 381 V N -3.105 116.816 119.914 0.011 0.000 3.426 381 V HA 0.695 4.815 4.120 -0.000 0.000 0.271 381 V C 0.893 176.994 176.094 0.011 0.000 1.530 381 V CA 0.075 62.383 62.300 0.013 0.000 1.021 381 V CB -0.320 31.514 31.823 0.018 0.000 0.824 381 V HN 0.919 nan 8.190 nan 0.000 0.432 382 G N 0.939 109.745 108.800 0.009 0.000 3.307 382 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 -0.114 174.791 174.900 0.008 0.000 0.983 382 G CA -0.006 45.096 45.100 0.004 0.000 0.804 382 G HN 0.371 nan 8.290 nan 0.000 0.531 383 L N 0.912 122.137 121.223 0.005 0.000 2.046 383 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 383 L C 2.090 178.956 176.870 -0.006 0.000 1.077 383 L CA 1.449 56.294 54.840 0.008 0.000 0.747 383 L CB -0.035 42.020 42.059 -0.008 0.000 0.896 383 L HN 0.639 nan 8.230 nan 0.000 0.432 384 R N -0.666 119.823 120.500 -0.019 0.000 2.604 384 R HA 0.408 4.748 4.340 -0.000 0.000 0.287 384 R C -0.909 175.384 176.300 -0.011 0.000 0.970 384 R CA -0.517 55.570 56.100 -0.023 0.000 0.946 384 R CB 2.073 32.347 30.300 -0.043 0.000 1.127 384 R HN -0.209 nan 8.270 nan 0.000 0.473 385 V N 5.245 125.155 119.914 -0.007 0.000 2.732 385 V HA 0.307 4.427 4.120 -0.000 0.000 0.297 385 V C -1.860 174.230 176.094 -0.008 0.000 1.060 385 V CA -1.973 60.325 62.300 -0.003 0.000 1.038 385 V CB 1.452 33.276 31.823 0.002 0.000 1.003 385 V HN 0.802 nan 8.190 nan 0.000 0.481 386 P HA 0.081 nan 4.420 nan 0.000 0.269 386 P C 0.590 177.888 177.300 -0.004 0.000 1.217 386 P CA -0.036 63.059 63.100 -0.007 0.000 0.783 386 P CB 0.501 32.197 31.700 -0.007 0.000 0.898 387 E N 1.902 122.101 120.200 -0.003 0.000 2.070 387 E HA -0.243 4.106 4.350 -0.000 0.000 0.197 387 E C 1.598 178.201 176.600 0.005 0.000 1.004 387 E CA 1.665 58.067 56.400 0.004 0.000 0.805 387 E CB -0.476 29.226 29.700 0.005 0.000 0.744 387 E HN 0.597 nan 8.360 nan 0.000 0.451 388 E N 0.915 121.115 120.200 0.000 0.000 2.097 388 E HA -0.226 4.123 4.350 -0.000 0.000 0.196 388 E C 2.265 178.864 176.600 -0.002 0.000 1.000 388 E CA 1.430 57.829 56.400 -0.002 0.000 0.804 388 E CB -0.098 29.599 29.700 -0.004 0.000 0.740 388 E HN 0.356 nan 8.360 nan 0.000 0.454 389 Q N 0.054 119.852 119.800 -0.004 0.000 2.123 389 Q HA -0.153 4.187 4.340 -0.000 0.000 0.199 389 Q C 2.124 178.125 176.000 0.000 0.000 0.966 389 Q CA 0.880 56.679 55.803 -0.006 0.000 0.845 389 Q CB 0.000 28.732 28.738 -0.011 0.000 0.907 389 Q HN 0.309 nan 8.270 nan 0.000 0.439 390 E N 1.133 121.337 120.200 0.007 0.000 2.106 390 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 390 E C 1.938 178.552 176.600 0.024 0.000 0.984 390 E CA 0.652 57.064 56.400 0.020 0.000 0.806 390 E CB 0.215 29.931 29.700 0.026 0.000 0.750 390 E HN 0.227 nan 8.360 nan 0.000 0.458 391 R N 0.195 120.705 120.500 0.016 0.000 2.115 391 R HA -0.079 4.261 4.340 -0.000 0.000 0.226 391 R C 2.123 178.422 176.300 -0.001 0.000 1.100 391 R CA 1.166 57.272 56.100 0.009 0.000 0.980 391 R CB -0.100 30.203 30.300 0.004 0.000 0.875 391 R HN 0.289 nan 8.270 nan 0.000 0.445 392 E N -0.083 120.115 120.200 -0.002 0.000 2.122 392 E HA 0.062 4.412 4.350 -0.000 0.000 0.190 392 E C 0.395 176.990 176.600 -0.008 0.000 0.977 392 E CA 0.530 56.925 56.400 -0.008 0.000 0.820 392 E CB 0.358 30.052 29.700 -0.010 0.000 0.770 392 E HN 0.380 nan 8.360 nan 0.000 0.462 393 G N 0.009 108.808 108.800 -0.003 0.000 2.697 393 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.684 393 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.684 393 G C 0.002 174.900 174.900 -0.002 0.000 1.274 393 G CA -0.772 44.327 45.100 -0.002 0.000 0.806 393 G HN 0.066 nan 8.290 nan 0.000 0.644 394 L N 0.599 121.829 121.223 0.011 0.000 2.478 394 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 394 L C 2.196 179.089 176.870 0.037 0.000 1.140 394 L CA 0.820 55.669 54.840 0.016 0.000 0.842 394 L CB -0.325 41.765 42.059 0.050 0.000 0.953 394 L HN 0.545 nan 8.230 nan 0.000 0.452 395 D N 0.527 120.952 120.400 0.042 0.000 2.084 395 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 395 D C 2.295 178.608 176.300 0.021 0.000 0.990 395 D CA 1.806 55.841 54.000 0.058 0.000 0.826 395 D CB -0.178 40.611 40.800 -0.018 0.000 0.971 395 D HN 0.272 nan 8.370 nan 0.000 0.453 396 V N -0.997 118.909 119.914 -0.013 0.000 2.591 396 V HA -0.018 4.102 4.120 -0.000 0.000 0.249 396 V C 1.751 177.818 176.094 -0.044 0.000 1.053 396 V CA 1.225 63.510 62.300 -0.025 0.000 1.068 396 V CB -0.430 31.380 31.823 -0.023 0.000 0.689 396 V HN 0.035 nan 8.190 nan 0.000 0.462 397 N N 0.943 119.611 118.700 -0.053 0.000 2.171 397 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 397 N C 1.995 177.429 175.510 -0.126 0.000 1.021 397 N CA 1.849 54.858 53.050 -0.068 0.000 0.854 397 N CB 0.073 38.531 38.487 -0.049 0.000 0.994 397 N HN 0.543 nan 8.380 nan 0.000 0.426 398 S N -0.760 114.807 115.700 -0.223 0.000 2.483 398 S HA 0.101 4.571 4.470 -0.000 0.000 0.221 398 S C 0.957 175.113 174.600 -0.739 0.000 1.030 398 S CA 0.163 58.081 58.200 -0.470 0.000 0.925 398 S CB 0.298 63.133 63.200 -0.610 0.000 0.795 398 S HN 0.417 nan 8.310 nan 0.000 0.511 399 H N -0.266 118.729 119.070 -0.125 0.000 2.893 399 H HA 0.302 4.858 4.556 -0.000 0.000 0.270 399 H C 1.411 176.678 175.328 -0.101 0.000 1.095 399 H CA 0.466 56.423 56.048 -0.151 0.000 1.186 399 H CB 0.145 29.789 29.762 -0.197 0.000 1.562 399 H HN 0.415 nan 8.280 nan 0.000 0.536 400 G N 2.026 110.814 108.800 -0.020 0.000 2.356 400 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.296 400 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.296 400 G C -0.209 174.683 174.900 -0.013 0.000 1.022 400 G CA 0.730 45.818 45.100 -0.020 0.000 0.961 400 G HN 0.503 nan 8.290 nan 0.000 0.510 401 E N -0.699 119.494 120.200 -0.011 0.000 2.408 401 E HA 0.366 4.716 4.350 -0.000 0.000 0.275 401 E C -0.715 175.856 176.600 -0.048 0.000 0.935 401 E CA -0.965 55.416 56.400 -0.031 0.000 0.775 401 E CB 1.540 31.215 29.700 -0.041 0.000 1.277 401 E HN 0.166 nan 8.360 nan 0.000 0.455 402 N N 0.873 119.536 118.700 -0.062 0.000 2.407 402 N HA 0.266 5.006 4.740 -0.000 0.000 0.277 402 N C 0.338 175.761 175.510 -0.145 0.000 0.995 402 N CA 0.040 53.043 53.050 -0.079 0.000 0.903 402 N CB 1.604 40.067 38.487 -0.040 0.000 1.218 402 N HN 0.589 nan 8.380 nan 0.000 0.487 403 A N 3.888 126.553 122.820 -0.258 0.000 1.873 403 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 403 A C -0.112 177.095 177.584 -0.628 0.000 1.193 403 A CA 1.491 53.194 52.037 -0.557 0.000 0.629 403 A CB -0.457 18.003 19.000 -0.900 0.000 0.826 403 A HN 0.726 nan 8.150 nan 0.000 0.447 404 Y N 0.255 120.559 120.300 0.007 0.000 2.345 404 Y HA 0.474 5.024 4.550 -0.000 0.000 0.331 404 Y C -0.037 175.867 175.900 0.006 0.000 0.959 404 Y CA -1.476 56.632 58.100 0.013 0.000 1.204 404 Y CB 0.911 39.387 38.460 0.026 0.000 1.135 404 Y HN 0.224 nan 8.280 nan 0.000 0.477 405 N N 0.853 119.629 118.700 0.127 0.000 2.619 405 N HA 0.684 5.424 4.740 -0.000 0.000 0.294 405 N C -0.047 175.504 175.510 0.067 0.000 1.279 405 N CA -0.818 52.275 53.050 0.072 0.000 0.867 405 N CB 1.369 39.876 38.487 0.034 0.000 1.329 405 N HN 0.657 nan 8.380 nan 0.000 0.557 406 A N 0.000 122.846 122.820 0.043 0.000 2.254 406 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 406 A CA 0.000 52.056 52.037 0.032 0.000 0.836 406 A CB 0.000 19.013 19.000 0.021 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486