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 7mdh_1_B DATA FIRST_RESID 21 DATA SEQUENCE RKDcFGVFcT TYDLKXXXXX XSWKKLVNIA VSGAAGMISN HLLFKLASGE DATA SEQUENCE VFGQDQPIAL KLLGSERSFQ ALEGVAMELE DSLYPLLREV SIGIDPYEVF DATA SEQUENCE EDVDWALLIG AKPRGPGMER AALLDINGQI FADQGKALNA VASKNVKVLV DATA SEQUENCE VGNPCNTNAL ICLKNAPDIP AKNFHALTRL DENRAKCQLA LKAGVFYDKV DATA SEQUENCE SNVTIWGNHS TTQVPDFLNA KIDGRPVKEV IKRTKWLEEE FTITVQKRGG DATA SEQUENCE ALIQKWGRSS AASTAVSIAD AIKSLVTPTP EGDWFSTGVY TTGNPYGIAE DATA SEQUENCE DIVFSMPCRS KGDGDYELAT DVSNDDFLWE RIKKSEAELL AEKKcVAHLT DATA SEQUENCE GEGNAYcDVP EDTMLP 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 21 R HA 0.000 nan 4.340 nan 0.000 0.208 21 R C 0.000 176.328 176.300 0.047 0.000 0.893 21 R CA 0.000 56.123 56.100 0.039 0.000 0.921 21 R CB 0.000 30.324 30.300 0.039 0.000 0.687 22 K N 1.370 121.802 120.400 0.055 0.000 2.592 22 K HA 0.351 4.671 4.320 -0.000 0.000 0.203 22 K C -0.262 176.389 176.600 0.083 0.000 1.070 22 K CA 0.016 56.343 56.287 0.067 0.000 1.062 22 K CB 0.670 33.202 32.500 0.053 0.000 0.814 22 K HN 0.451 nan 8.250 nan 0.000 0.502 23 D N -0.109 120.342 120.400 0.085 0.000 2.535 23 D HA 0.157 4.796 4.640 -0.000 0.000 0.229 23 D C -1.008 175.357 176.300 0.109 0.000 1.238 23 D CA -0.054 53.999 54.000 0.089 0.000 0.824 23 D CB 0.214 41.058 40.800 0.072 0.000 1.045 23 D HN 0.299 nan 8.370 nan 0.000 0.500 24 c N -1.744 116.938 118.600 0.136 0.000 3.173 24 c HA 0.782 5.351 4.570 -0.000 0.000 0.310 24 c C -0.876 173.360 174.090 0.243 0.000 1.306 24 c CA -1.439 54.998 56.329 0.180 0.000 1.426 24 c CB 0.486 43.091 42.510 0.159 0.000 1.800 24 c HN 0.067 nan 8.230 nan 0.000 0.470 25 F N 2.010 122.055 119.950 0.159 0.000 2.482 25 F HA 0.651 5.178 4.527 -0.000 0.000 0.331 25 F C 1.047 176.995 175.800 0.248 0.000 1.115 25 F CA 1.753 59.860 58.000 0.178 0.000 0.955 25 F CB 1.671 40.756 39.000 0.142 0.000 1.136 25 F HN 1.545 nan 8.300 nan 0.000 0.452 26 G N 3.742 112.193 108.800 -0.581 0.000 2.660 26 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.338 26 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.338 26 G C 1.128 175.966 174.900 -0.104 0.000 1.336 26 G CA 1.380 46.269 45.100 -0.352 0.000 0.990 26 G HN 1.633 nan 8.290 nan 0.000 0.537 27 V N -2.403 117.417 119.914 -0.157 0.000 2.828 27 V HA -0.003 4.117 4.120 -0.000 0.000 0.260 27 V C 2.475 178.422 176.094 -0.244 0.000 1.101 27 V CA 2.871 65.027 62.300 -0.240 0.000 1.123 27 V CB -0.900 30.704 31.823 -0.365 0.000 0.704 27 V HN 0.579 nan 8.190 nan 0.000 0.493 28 F N -0.416 119.580 119.950 0.076 0.000 2.604 28 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 28 F C 2.437 178.279 175.800 0.071 0.000 1.131 28 F CA 0.958 59.008 58.000 0.083 0.000 1.457 28 F CB -1.058 38.010 39.000 0.112 0.000 1.095 28 F HN 0.218 nan 8.300 nan 0.000 0.574 29 c N 0.005 118.707 118.600 0.171 0.000 2.456 29 c HA -0.108 4.462 4.570 -0.000 0.000 0.279 29 c C 2.743 176.898 174.090 0.108 0.000 1.427 29 c CA 1.590 57.994 56.329 0.125 0.000 1.778 29 c CB -1.625 40.925 42.510 0.068 0.000 1.842 29 c HN 0.589 nan 8.230 nan 0.000 0.531 30 T N -1.306 113.297 114.554 0.082 0.000 3.148 30 T HA 0.014 4.364 4.350 -0.000 0.000 0.253 30 T C 0.680 175.457 174.700 0.129 0.000 1.134 30 T CA 0.896 63.048 62.100 0.087 0.000 1.051 30 T CB -0.478 68.409 68.868 0.033 0.000 0.959 30 T HN 0.617 nan 8.240 nan 0.000 0.525 31 T N 0.127 114.757 114.554 0.126 0.000 2.912 31 T HA 0.646 4.996 4.350 -0.000 0.000 0.280 31 T C -0.717 174.098 174.700 0.191 0.000 0.989 31 T CA -0.903 61.237 62.100 0.066 0.000 0.995 31 T CB 1.133 70.039 68.868 0.064 0.000 1.077 31 T HN 0.618 nan 8.240 nan 0.000 0.531 32 Y N -2.506 117.843 120.300 0.081 0.000 2.662 32 Y HA 0.519 5.068 4.550 -0.000 0.000 0.334 32 Y C -1.282 174.667 175.900 0.080 0.000 1.185 32 Y CA -1.526 56.616 58.100 0.070 0.000 1.074 32 Y CB 0.342 38.832 38.460 0.050 0.000 1.330 32 Y HN 0.526 nan 8.280 nan 0.000 0.458 33 D N 2.526 123.053 120.400 0.211 0.000 2.382 33 D HA 0.164 4.804 4.640 -0.000 0.000 0.259 33 D C -0.177 176.210 176.300 0.144 0.000 1.224 33 D CA 0.383 54.467 54.000 0.140 0.000 0.894 33 D CB 0.845 41.727 40.800 0.137 0.000 1.127 33 D HN 0.658 nan 8.370 nan 0.000 0.487 34 L N 4.552 125.798 121.223 0.039 0.000 2.437 34 L HA 0.073 4.413 4.340 -0.000 0.000 0.243 34 L C 1.407 178.303 176.870 0.043 0.000 1.346 34 L CA -0.414 54.433 54.840 0.012 0.000 1.233 34 L CB -0.359 41.632 42.059 -0.113 0.000 1.436 34 L HN 0.145 nan 8.230 nan 0.000 0.416 43 W N 3.437 124.741 121.300 0.007 0.000 2.202 43 W HA 0.528 5.187 4.660 -0.001 0.000 0.332 43 W C 0.578 177.099 176.519 0.004 0.000 1.263 43 W CA -1.165 56.182 57.345 0.004 0.000 1.223 43 W CB 0.330 29.789 29.460 -0.002 0.000 1.128 43 W HN 0.043 nan 8.180 nan 0.000 0.573 44 K N 1.696 122.186 120.400 0.150 0.000 2.098 44 K HA 0.218 4.538 4.320 -0.000 0.000 0.257 44 K C 0.141 176.773 176.600 0.052 0.000 0.999 44 K CA -0.995 55.336 56.287 0.074 0.000 0.924 44 K CB 0.917 33.429 32.500 0.020 0.000 1.028 44 K HN 0.229 nan 8.250 nan 0.000 0.466 45 K N 1.681 122.106 120.400 0.042 0.000 2.561 45 K HA -0.096 4.223 4.320 -0.000 0.000 0.280 45 K C -0.243 176.346 176.600 -0.018 0.000 0.975 45 K CA -0.245 56.060 56.287 0.031 0.000 1.024 45 K CB 0.255 32.769 32.500 0.024 0.000 0.883 45 K HN 0.344 nan 8.250 nan 0.000 0.496 46 L N 5.435 126.650 121.223 -0.014 0.000 2.540 46 L HA -0.012 4.328 4.340 -0.000 0.000 0.276 46 L C -0.654 176.160 176.870 -0.092 0.000 1.212 46 L CA 0.346 55.147 54.840 -0.066 0.000 0.893 46 L CB 0.655 42.700 42.059 -0.025 0.000 1.138 46 L HN 0.392 nan 8.230 nan 0.000 0.491 47 V N 2.248 122.060 119.914 -0.171 0.000 2.427 47 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 47 V C -0.097 175.903 176.094 -0.156 0.000 1.034 47 V CA -0.859 61.336 62.300 -0.176 0.000 0.893 47 V CB 1.346 32.961 31.823 -0.347 0.000 0.982 47 V HN 0.846 nan 8.190 nan 0.000 0.452 48 N N 4.402 123.063 118.700 -0.066 0.000 2.426 48 N HA 0.707 5.447 4.740 -0.000 0.000 0.275 48 N C -0.973 174.539 175.510 0.004 0.000 1.019 48 N CA -0.446 52.578 53.050 -0.043 0.000 0.941 48 N CB 1.751 40.227 38.487 -0.018 0.000 1.123 48 N HN 0.730 nan 8.380 nan 0.000 0.486 49 I N 1.769 122.324 120.570 -0.025 0.000 2.447 49 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 49 I C -0.241 175.886 176.117 0.016 0.000 1.023 49 I CA -0.817 60.498 61.300 0.025 0.000 1.083 49 I CB 1.709 39.688 38.000 -0.035 0.000 1.245 49 I HN 0.476 nan 8.210 nan 0.000 0.434 50 A N 6.155 128.998 122.820 0.038 0.000 2.293 50 A HA 0.864 5.184 4.320 -0.000 0.000 0.302 50 A C -0.571 177.054 177.584 0.069 0.000 1.119 50 A CA -0.443 51.642 52.037 0.079 0.000 0.823 50 A CB 1.166 20.241 19.000 0.124 0.000 1.097 50 A HN 0.474 nan 8.150 nan 0.000 0.491 51 V N 2.137 122.106 119.914 0.092 0.000 2.532 51 V HA 0.388 4.508 4.120 -0.000 0.000 0.294 51 V C 0.210 176.357 176.094 0.089 0.000 1.036 51 V CA -0.324 62.016 62.300 0.066 0.000 0.876 51 V CB 1.373 33.201 31.823 0.009 0.000 1.012 51 V HN 1.150 nan 8.190 nan 0.000 0.432 52 S N 2.738 118.505 115.700 0.112 0.000 2.652 52 S HA 0.677 5.146 4.470 -0.000 0.000 0.270 52 S C 1.115 175.751 174.600 0.061 0.000 1.243 52 S CA 0.302 58.555 58.200 0.089 0.000 0.999 52 S CB 1.482 64.734 63.200 0.088 0.000 0.973 52 S HN 2.429 nan 8.310 nan 0.000 0.544 53 G N 0.240 109.067 108.800 0.045 0.000 2.225 53 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.267 53 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.267 53 G C 0.897 175.817 174.900 0.034 0.000 1.024 53 G CA 0.308 45.437 45.100 0.048 0.000 0.784 53 G HN 1.571 nan 8.290 nan 0.000 0.507 54 A N -0.488 122.341 122.820 0.015 0.000 2.024 54 A HA 0.302 4.622 4.320 -0.000 0.000 0.220 54 A C 2.562 180.133 177.584 -0.022 0.000 1.164 54 A CA 2.162 54.191 52.037 -0.013 0.000 0.643 54 A CB -0.346 18.628 19.000 -0.042 0.000 0.806 54 A HN 1.877 nan 8.150 nan 0.000 0.451 55 A N -0.595 122.217 122.820 -0.014 0.000 2.307 55 A HA 0.501 4.821 4.320 -0.000 0.000 0.218 55 A C 1.254 178.848 177.584 0.016 0.000 1.228 55 A CA 0.577 52.605 52.037 -0.014 0.000 0.857 55 A CB -0.783 18.203 19.000 -0.022 0.000 0.897 55 A HN 0.654 nan 8.150 nan 0.000 0.495 56 G N -2.023 106.797 108.800 0.033 0.000 2.588 56 G HA2 0.367 4.326 3.960 -0.000 0.000 0.281 56 G HA3 0.367 4.326 3.960 -0.000 0.000 0.281 56 G C 0.666 175.609 174.900 0.072 0.000 1.236 56 G CA -0.219 44.913 45.100 0.054 0.000 0.969 56 G HN 0.078 nan 8.290 nan 0.000 0.504 57 M N -0.246 119.411 119.600 0.095 0.000 2.156 57 M HA 0.131 4.610 4.480 -0.000 0.000 0.264 57 M C 2.404 178.820 176.300 0.194 0.000 1.067 57 M CA 1.011 56.395 55.300 0.140 0.000 1.131 57 M CB -0.509 32.185 32.600 0.157 0.000 1.368 57 M HN 0.543 nan 8.290 nan 0.000 0.416 58 I N -1.570 119.090 120.570 0.149 0.000 2.179 58 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 58 I C 2.479 178.679 176.117 0.139 0.000 1.088 58 I CA 1.531 62.915 61.300 0.141 0.000 1.357 58 I CB -0.717 37.335 38.000 0.087 0.000 1.051 58 I HN 0.321 nan 8.210 nan 0.000 0.409 59 S N 1.017 116.775 115.700 0.098 0.000 2.383 59 S HA -0.246 4.224 4.470 -0.000 0.000 0.229 59 S C 1.825 176.486 174.600 0.101 0.000 1.030 59 S CA 2.051 60.293 58.200 0.070 0.000 1.002 59 S CB -0.463 62.759 63.200 0.036 0.000 0.829 59 S HN 0.407 nan 8.310 nan 0.000 0.467 60 N N 0.208 118.975 118.700 0.112 0.000 2.272 60 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 60 N C 1.633 177.206 175.510 0.104 0.000 1.014 60 N CA 1.529 54.652 53.050 0.121 0.000 0.870 60 N CB -0.162 38.332 38.487 0.012 0.000 0.975 60 N HN 0.553 nan 8.380 nan 0.000 0.433 61 H N -1.370 117.790 119.070 0.149 0.000 2.451 61 H HA 0.064 4.620 4.556 -0.000 0.000 0.294 61 H C 1.665 177.074 175.328 0.135 0.000 1.028 61 H CA 0.485 56.605 56.048 0.119 0.000 1.349 61 H CB -0.078 29.709 29.762 0.041 0.000 1.444 61 H HN 0.164 nan 8.280 nan 0.000 0.538 62 L N 1.260 122.599 121.223 0.195 0.000 2.056 62 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 62 L C 2.243 179.123 176.870 0.016 0.000 1.078 62 L CA 1.165 56.050 54.840 0.075 0.000 0.749 62 L CB -0.777 41.297 42.059 0.026 0.000 0.901 62 L HN 0.108 nan 8.230 nan 0.000 0.433 63 L N -1.518 119.697 121.223 -0.013 0.000 2.081 63 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 63 L C 2.395 179.073 176.870 -0.320 0.000 1.080 63 L CA 1.417 56.131 54.840 -0.209 0.000 0.754 63 L CB -0.724 41.128 42.059 -0.345 0.000 0.893 63 L HN 0.228 nan 8.230 nan 0.000 0.433 64 F N 0.097 120.002 119.950 -0.074 0.000 2.325 64 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 64 F C 2.459 178.109 175.800 -0.249 0.000 1.090 64 F CA 0.919 58.864 58.000 -0.091 0.000 1.392 64 F CB -0.381 38.670 39.000 0.085 0.000 1.053 64 F HN -0.086 nan 8.300 nan 0.000 0.521 65 K N 0.416 120.816 120.400 -0.000 0.000 2.057 65 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 65 K C 2.022 178.505 176.600 -0.194 0.000 1.050 65 K CA 1.231 57.468 56.287 -0.084 0.000 0.935 65 K CB -0.471 31.994 32.500 -0.058 0.000 0.715 65 K HN 0.260 nan 8.250 nan 0.000 0.439 66 L N 0.718 121.825 121.223 -0.193 0.000 1.994 66 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 66 L C 2.632 179.339 176.870 -0.271 0.000 1.071 66 L CA 1.330 56.059 54.840 -0.186 0.000 0.745 66 L CB -0.656 41.312 42.059 -0.151 0.000 0.892 66 L HN 0.215 nan 8.230 nan 0.000 0.431 67 A N -0.028 122.542 122.820 -0.416 0.000 1.978 67 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 67 A C 2.461 179.603 177.584 -0.738 0.000 1.170 67 A CA 2.012 53.720 52.037 -0.549 0.000 0.636 67 A CB -0.692 17.935 19.000 -0.621 0.000 0.810 67 A HN 0.548 nan 8.150 nan 0.000 0.448 68 S N -1.897 113.269 115.700 -0.891 0.000 2.522 68 S HA 0.319 4.788 4.470 -0.000 0.000 0.227 68 S C 1.523 176.016 174.600 -0.177 0.000 0.986 68 S CA 1.213 59.105 58.200 -0.513 0.000 0.929 68 S CB -0.396 62.647 63.200 -0.261 0.000 0.769 68 S HN 1.971 nan 8.310 nan 0.000 0.529 69 G N 1.684 110.367 108.800 -0.195 0.000 2.176 69 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.253 69 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.253 69 G C 0.661 175.501 174.900 -0.099 0.000 0.979 69 G CA 0.668 45.695 45.100 -0.122 0.000 0.641 69 G HN 0.755 nan 8.290 nan 0.000 0.530 70 E N 0.124 120.256 120.200 -0.114 0.000 2.150 70 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 70 E C 2.258 178.759 176.600 -0.165 0.000 0.985 70 E CA 1.574 57.909 56.400 -0.109 0.000 0.814 70 E CB -0.196 29.448 29.700 -0.092 0.000 0.752 70 E HN 0.458 nan 8.360 nan 0.000 0.466 71 V N 0.117 119.900 119.914 -0.218 0.000 2.256 71 V HA -0.140 3.980 4.120 -0.000 0.000 0.240 71 V C 1.817 177.611 176.094 -0.500 0.000 1.036 71 V CA 1.638 63.702 62.300 -0.394 0.000 1.008 71 V CB -0.535 30.997 31.823 -0.486 0.000 0.648 71 V HN 0.268 nan 8.190 nan 0.000 0.453 72 F N 0.517 120.313 119.950 -0.257 0.000 2.765 72 F HA 0.523 5.050 4.527 -0.000 0.000 0.302 72 F C 1.208 176.901 175.800 -0.178 0.000 1.111 72 F CA 0.717 58.573 58.000 -0.240 0.000 1.359 72 F CB -0.131 38.705 39.000 -0.274 0.000 1.097 72 F HN 0.333 nan 8.300 nan 0.000 0.577 73 G N 0.249 109.033 108.800 -0.028 0.000 2.650 73 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.686 73 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.686 73 G C 0.133 175.001 174.900 -0.054 0.000 1.205 73 G CA -0.834 44.245 45.100 -0.035 0.000 0.781 73 G HN -0.070 nan 8.290 nan 0.000 0.648 74 Q N 0.196 119.977 119.800 -0.032 0.000 2.364 74 Q HA -0.065 4.275 4.340 -0.000 0.000 0.209 74 Q C 1.732 177.702 176.000 -0.051 0.000 0.977 74 Q CA 1.943 57.734 55.803 -0.021 0.000 0.885 74 Q CB -0.007 28.755 28.738 0.040 0.000 0.941 74 Q HN 0.892 nan 8.270 nan 0.000 0.464 75 D N -1.263 119.098 120.400 -0.065 0.000 2.525 75 D HA 0.032 4.672 4.640 -0.000 0.000 0.229 75 D C -0.198 175.940 176.300 -0.270 0.000 1.202 75 D CA -0.191 53.761 54.000 -0.081 0.000 0.828 75 D CB 0.199 41.051 40.800 0.087 0.000 1.008 75 D HN -0.104 nan 8.370 nan 0.000 0.493 76 Q N 2.094 121.677 119.800 -0.362 0.000 2.558 76 Q HA 0.317 4.657 4.340 -0.000 0.000 0.252 76 Q C -2.790 172.906 176.000 -0.506 0.000 1.015 76 Q CA -1.924 53.668 55.803 -0.351 0.000 0.720 76 Q CB 2.092 30.724 28.738 -0.177 0.000 1.215 76 Q HN -0.011 nan 8.270 nan 0.000 0.500 77 P HA 0.257 nan 4.420 nan 0.000 0.274 77 P C -0.468 176.613 177.300 -0.365 0.000 1.231 77 P CA -0.204 62.518 63.100 -0.629 0.000 0.790 77 P CB 1.112 32.417 31.700 -0.659 0.000 0.951 78 I N -2.410 117.987 120.570 -0.289 0.000 3.191 78 I HA 0.879 5.049 4.170 -0.000 0.000 0.313 78 I C -1.535 174.477 176.117 -0.174 0.000 1.193 78 I CA -1.672 59.475 61.300 -0.255 0.000 0.968 78 I CB 2.238 40.053 38.000 -0.308 0.000 1.262 78 I HN 0.310 nan 8.210 nan 0.000 0.456 79 A N 3.568 126.292 122.820 -0.161 0.000 2.371 79 A HA 0.834 5.153 4.320 -0.000 0.000 0.311 79 A C -1.158 176.339 177.584 -0.145 0.000 1.068 79 A CA -0.619 51.342 52.037 -0.127 0.000 0.744 79 A CB 1.430 20.388 19.000 -0.070 0.000 1.239 79 A HN 0.703 nan 8.150 nan 0.000 0.435 80 L N 2.867 123.983 121.223 -0.179 0.000 2.305 80 L HA 0.442 4.781 4.340 -0.000 0.000 0.284 80 L C -0.452 176.340 176.870 -0.129 0.000 1.013 80 L CA -0.807 53.931 54.840 -0.171 0.000 0.819 80 L CB 1.728 43.639 42.059 -0.246 0.000 1.227 80 L HN 0.540 nan 8.230 nan 0.000 0.417 81 K N 6.139 126.503 120.400 -0.060 0.000 2.389 81 K HA 0.510 4.830 4.320 -0.000 0.000 0.261 81 K C -0.816 175.783 176.600 -0.002 0.000 1.014 81 K CA -0.339 55.941 56.287 -0.011 0.000 0.920 81 K CB 1.747 34.281 32.500 0.056 0.000 1.149 81 K HN 0.514 nan 8.250 nan 0.000 0.444 82 L N 3.905 125.103 121.223 -0.043 0.000 2.272 82 L HA 0.429 4.768 4.340 -0.000 0.000 0.289 82 L C -0.148 176.711 176.870 -0.018 0.000 1.032 82 L CA -1.173 53.639 54.840 -0.046 0.000 0.810 82 L CB 0.778 42.765 42.059 -0.121 0.000 1.205 82 L HN 0.265 nan 8.230 nan 0.000 0.422 83 L N 3.000 124.228 121.223 0.008 0.000 2.282 83 L HA 0.837 5.177 4.340 -0.000 0.000 0.288 83 L C 0.220 177.091 176.870 0.001 0.000 1.033 83 L CA 0.419 55.254 54.840 -0.009 0.000 0.807 83 L CB 1.331 43.365 42.059 -0.041 0.000 1.209 83 L HN 0.625 nan 8.230 nan 0.000 0.423 84 G N 2.290 111.103 108.800 0.022 0.000 3.259 84 G HA2 0.732 4.692 3.960 -0.000 0.000 0.178 84 G HA3 0.732 4.692 3.960 -0.000 0.000 0.178 84 G C -1.194 173.740 174.900 0.057 0.000 1.129 84 G CA 0.131 45.253 45.100 0.037 0.000 0.816 84 G HN 0.818 nan 8.290 nan 0.000 0.634 85 S N -1.665 114.088 115.700 0.089 0.000 2.651 85 S HA 0.473 4.942 4.470 -0.000 0.000 0.279 85 S C 0.578 175.248 174.600 0.117 0.000 1.148 85 S CA 0.039 58.285 58.200 0.076 0.000 0.837 85 S CB 2.221 65.450 63.200 0.049 0.000 1.138 85 S HN 0.516 nan 8.310 nan 0.000 0.478 86 E N 1.142 121.380 120.200 0.063 0.000 2.058 86 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 86 E C 1.918 178.570 176.600 0.087 0.000 0.997 86 E CA 1.830 58.257 56.400 0.046 0.000 0.801 86 E CB -0.222 29.477 29.700 -0.002 0.000 0.746 86 E HN 0.669 nan 8.360 nan 0.000 0.450 87 R N -0.486 120.054 120.500 0.068 0.000 2.120 87 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 87 R C 2.070 178.418 176.300 0.081 0.000 1.123 87 R CA 1.457 57.596 56.100 0.065 0.000 0.975 87 R CB -0.171 30.157 30.300 0.045 0.000 0.866 87 R HN 0.252 nan 8.270 nan 0.000 0.446 88 S N -0.954 114.802 115.700 0.093 0.000 2.568 88 S HA 0.057 4.526 4.470 -0.000 0.000 0.232 88 S C 1.242 175.897 174.600 0.092 0.000 0.975 88 S CA -0.604 57.642 58.200 0.076 0.000 0.949 88 S CB -0.106 63.122 63.200 0.046 0.000 0.829 88 S HN 0.217 nan 8.310 nan 0.000 0.479 89 F N 3.013 122.965 119.950 0.003 0.000 2.161 89 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 89 F C 2.527 178.333 175.800 0.010 0.000 1.089 89 F CA 1.772 59.774 58.000 0.003 0.000 1.282 89 F CB -0.255 38.751 39.000 0.011 0.000 1.010 89 F HN 0.219 nan 8.300 nan 0.000 0.485 90 Q N 0.301 120.152 119.800 0.086 0.000 1.975 90 Q HA -0.243 4.097 4.340 -0.000 0.000 0.205 90 Q C 2.580 178.533 176.000 -0.078 0.000 0.990 90 Q CA 1.825 57.638 55.803 0.017 0.000 0.845 90 Q CB -1.214 27.561 28.738 0.063 0.000 0.913 90 Q HN 0.509 nan 8.270 nan 0.000 0.420 91 A N 0.930 123.722 122.820 -0.046 0.000 1.948 91 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 91 A C 2.125 179.634 177.584 -0.125 0.000 1.177 91 A CA 1.488 53.492 52.037 -0.056 0.000 0.636 91 A CB -0.694 18.293 19.000 -0.022 0.000 0.815 91 A HN 0.321 nan 8.150 nan 0.000 0.449 92 L N 0.062 121.162 121.223 -0.204 0.000 2.083 92 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 92 L C 2.217 178.837 176.870 -0.417 0.000 1.083 92 L CA 2.248 56.906 54.840 -0.304 0.000 0.752 92 L CB -0.671 41.162 42.059 -0.376 0.000 0.899 92 L HN 0.533 nan 8.230 nan 0.000 0.433 93 E N -1.046 118.882 120.200 -0.453 0.000 2.072 93 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 93 E C 2.090 178.560 176.600 -0.217 0.000 0.985 93 E CA 0.905 57.081 56.400 -0.374 0.000 0.801 93 E CB -0.466 29.134 29.700 -0.168 0.000 0.750 93 E HN 0.646 nan 8.360 nan 0.000 0.452 94 G N 1.137 109.863 108.800 -0.124 0.000 2.440 94 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 94 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 94 G C 1.756 176.630 174.900 -0.043 0.000 1.154 94 G CA 0.991 46.065 45.100 -0.043 0.000 0.767 94 G HN 0.126 nan 8.290 nan 0.000 0.552 95 V N 1.630 121.488 119.914 -0.094 0.000 2.295 95 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 95 V C 3.332 179.352 176.094 -0.122 0.000 1.049 95 V CA 2.008 64.273 62.300 -0.059 0.000 1.024 95 V CB -1.115 30.646 31.823 -0.102 0.000 0.648 95 V HN 0.470 nan 8.190 nan 0.000 0.447 96 A N -0.326 122.297 122.820 -0.328 0.000 1.940 96 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 96 A C 2.252 179.797 177.584 -0.064 0.000 1.176 96 A CA 2.423 54.186 52.037 -0.457 0.000 0.631 96 A CB -0.546 17.633 19.000 -1.369 0.000 0.814 96 A HN 0.526 nan 8.150 nan 0.000 0.446 97 M N -0.952 118.662 119.600 0.024 0.000 2.159 97 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 97 M C 2.002 178.417 176.300 0.192 0.000 1.063 97 M CA 1.526 56.961 55.300 0.226 0.000 1.110 97 M CB -0.389 32.325 32.600 0.191 0.000 1.374 97 M HN 0.442 nan 8.290 nan 0.000 0.411 98 E N 0.385 120.687 120.200 0.170 0.000 2.150 98 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 98 E C 2.030 178.836 176.600 0.342 0.000 0.985 98 E CA 0.984 57.533 56.400 0.248 0.000 0.814 98 E CB -0.136 29.754 29.700 0.315 0.000 0.752 98 E HN 0.530 nan 8.360 nan 0.000 0.466 99 L N 0.784 122.157 121.223 0.249 0.000 2.141 99 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 99 L C 2.252 179.371 176.870 0.415 0.000 1.094 99 L CA 0.993 55.972 54.840 0.232 0.000 0.763 99 L CB -0.220 41.829 42.059 -0.017 0.000 0.908 99 L HN 0.092 nan 8.230 nan 0.000 0.437 100 E N 0.031 120.472 120.200 0.402 0.000 2.077 100 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 100 E C 1.180 177.835 176.600 0.093 0.000 0.989 100 E CA 1.213 57.732 56.400 0.198 0.000 0.800 100 E CB -0.008 29.797 29.700 0.175 0.000 0.746 100 E HN 0.454 nan 8.360 nan 0.000 0.452 101 D N -0.310 120.166 120.400 0.126 0.000 2.349 101 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 101 D C 1.131 177.458 176.300 0.045 0.000 1.029 101 D CA 0.372 54.413 54.000 0.069 0.000 0.879 101 D CB 0.307 41.150 40.800 0.071 0.000 0.906 101 D HN -0.051 nan 8.370 nan 0.000 0.528 102 S N -0.160 115.587 115.700 0.078 0.000 2.517 102 S HA 0.106 4.576 4.470 -0.000 0.000 0.214 102 S C 1.244 175.707 174.600 -0.228 0.000 0.991 102 S CA -0.234 57.922 58.200 -0.072 0.000 0.906 102 S CB 0.398 63.635 63.200 0.061 0.000 0.789 102 S HN 0.279 nan 8.310 nan 0.000 0.513 103 L N 0.272 121.461 121.223 -0.056 0.000 3.839 103 L HA -0.237 4.103 4.340 -0.000 0.000 0.416 103 L C -0.939 175.932 176.870 0.002 0.000 1.195 103 L CA -0.023 54.796 54.840 -0.036 0.000 0.946 103 L CB -2.165 39.858 42.059 -0.061 0.000 1.891 103 L HN 0.317 nan 8.230 nan 0.000 0.963 104 Y N 1.813 122.188 120.300 0.126 0.000 2.605 104 Y HA 0.086 4.636 4.550 -0.000 0.000 0.336 104 Y C -0.306 175.666 175.900 0.120 0.000 1.111 104 Y CA -1.575 56.591 58.100 0.111 0.000 1.422 104 Y CB 0.199 38.715 38.460 0.093 0.000 1.193 104 Y HN 0.053 nan 8.280 nan 0.000 0.526 105 P HA -0.132 nan 4.420 nan 0.000 0.223 105 P C 1.088 178.544 177.300 0.261 0.000 1.151 105 P CA 1.256 64.517 63.100 0.269 0.000 0.787 105 P CB 0.474 32.338 31.700 0.274 0.000 0.788 106 L N -1.361 119.933 121.223 0.119 0.000 2.418 106 L HA 0.062 4.401 4.340 -0.000 0.000 0.218 106 L C 1.295 178.099 176.870 -0.109 0.000 1.125 106 L CA -0.084 54.664 54.840 -0.153 0.000 0.835 106 L CB -0.278 41.636 42.059 -0.243 0.000 0.953 106 L HN -0.024 nan 8.230 nan 0.000 0.454 107 L N 0.988 122.236 121.223 0.041 0.000 2.404 107 L HA 0.132 4.472 4.340 -0.000 0.000 0.277 107 L C 1.298 178.273 176.870 0.174 0.000 1.184 107 L CA 0.318 55.180 54.840 0.037 0.000 1.013 107 L CB -0.095 42.006 42.059 0.069 0.000 1.318 107 L HN 0.001 nan 8.230 nan 0.000 0.435 108 R N 2.183 122.741 120.500 0.096 0.000 2.153 108 R HA 0.188 4.528 4.340 -0.000 0.000 0.218 108 R C -0.144 176.291 176.300 0.224 0.000 1.072 108 R CA 0.493 56.701 56.100 0.179 0.000 0.990 108 R CB -0.140 30.228 30.300 0.114 0.000 0.889 108 R HN 0.606 nan 8.270 nan 0.000 0.452 109 E N -0.269 119.970 120.200 0.064 0.000 2.331 109 E HA 0.478 4.828 4.350 -0.000 0.000 0.275 109 E C -1.489 174.953 176.600 -0.263 0.000 0.895 109 E CA -0.611 55.794 56.400 0.007 0.000 0.753 109 E CB 3.241 32.956 29.700 0.026 0.000 1.216 109 E HN -0.276 nan 8.360 nan 0.000 0.434 110 V N 1.804 121.533 119.914 -0.308 0.000 2.733 110 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 110 V C -0.915 175.124 176.094 -0.093 0.000 1.084 110 V CA -0.693 61.362 62.300 -0.409 0.000 0.905 110 V CB 1.912 33.179 31.823 -0.926 0.000 1.010 110 V HN 0.792 nan 8.190 nan 0.000 0.424 111 S N 4.806 120.457 115.700 -0.081 0.000 2.546 111 S HA 0.913 5.383 4.470 -0.000 0.000 0.274 111 S C -0.952 173.631 174.600 -0.028 0.000 1.121 111 S CA -0.780 57.434 58.200 0.023 0.000 0.887 111 S CB 2.240 65.469 63.200 0.047 0.000 1.094 111 S HN 0.994 nan 8.310 nan 0.000 0.474 112 I N -1.267 119.319 120.570 0.027 0.000 2.828 112 I HA 1.021 5.190 4.170 -0.000 0.000 0.302 112 I C -0.012 176.197 176.117 0.153 0.000 1.101 112 I CA -0.936 60.361 61.300 -0.005 0.000 1.031 112 I CB 1.834 39.726 38.000 -0.180 0.000 1.231 112 I HN 1.059 nan 8.210 nan 0.000 0.427 113 G N 3.483 112.386 108.800 0.171 0.000 2.441 113 G HA2 0.444 4.404 3.960 -0.000 0.000 0.294 113 G HA3 0.444 4.404 3.960 -0.000 0.000 0.294 113 G C -0.565 174.425 174.900 0.151 0.000 1.393 113 G CA -0.365 44.866 45.100 0.218 0.000 0.796 113 G HN 1.064 nan 8.290 nan 0.000 0.494 114 I N -2.878 117.738 120.570 0.076 0.000 4.240 114 I HA 0.416 4.586 4.170 -0.000 0.000 0.331 114 I C -0.485 175.607 176.117 -0.042 0.000 1.381 114 I CA -0.018 61.296 61.300 0.023 0.000 1.136 114 I CB 1.302 39.313 38.000 0.017 0.000 1.137 114 I HN 0.184 nan 8.210 nan 0.000 0.411 115 D N 3.776 124.144 120.400 -0.054 0.000 2.414 115 D HA 0.317 4.957 4.640 -0.000 0.000 0.232 115 D C -1.547 174.653 176.300 -0.167 0.000 1.070 115 D CA -2.489 51.473 54.000 -0.063 0.000 0.839 115 D CB 2.049 42.842 40.800 -0.012 0.000 1.079 115 D HN -0.024 nan 8.370 nan 0.000 0.521 116 P HA -0.173 nan 4.420 nan 0.000 0.219 116 P C 0.971 177.913 177.300 -0.596 0.000 1.146 116 P CA 0.875 63.476 63.100 -0.832 0.000 0.808 116 P CB 0.118 31.252 31.700 -0.945 0.000 0.779 117 Y N -0.007 120.152 120.300 -0.235 0.000 2.574 117 Y HA -0.100 4.449 4.550 -0.000 0.000 0.294 117 Y C 2.673 178.543 175.900 -0.050 0.000 1.142 117 Y CA 1.111 59.160 58.100 -0.085 0.000 1.314 117 Y CB -0.311 38.120 38.460 -0.048 0.000 0.991 117 Y HN 0.037 nan 8.280 nan 0.000 0.555 118 E N -0.785 119.434 120.200 0.031 0.000 2.134 118 E HA -0.021 4.328 4.350 -0.000 0.000 0.194 118 E C 2.119 178.729 176.600 0.016 0.000 0.937 118 E CA 0.780 57.200 56.400 0.035 0.000 0.874 118 E CB -0.450 29.266 29.700 0.026 0.000 0.853 118 E HN 0.027 nan 8.360 nan 0.000 0.471 119 V N 1.228 121.110 119.914 -0.054 0.000 2.453 119 V HA -0.212 3.908 4.120 -0.000 0.000 0.252 119 V C 1.740 177.943 176.094 0.182 0.000 1.068 119 V CA 1.481 63.782 62.300 0.002 0.000 1.070 119 V CB -0.615 31.157 31.823 -0.084 0.000 0.664 119 V HN 0.265 nan 8.190 nan 0.000 0.461 120 F N 0.800 120.729 119.950 -0.035 0.000 2.780 120 F HA 0.128 4.655 4.527 -0.000 0.000 0.299 120 F C 1.366 177.142 175.800 -0.039 0.000 1.146 120 F CA -0.909 57.059 58.000 -0.054 0.000 1.428 120 F CB -1.031 37.907 39.000 -0.104 0.000 1.115 120 F HN 0.421 nan 8.300 nan 0.000 0.583 121 E N 0.454 120.750 120.200 0.159 0.000 2.417 121 E HA -0.034 4.316 4.350 -0.000 0.000 0.261 121 E C -0.125 176.511 176.600 0.061 0.000 1.000 121 E CA 0.293 56.750 56.400 0.095 0.000 0.919 121 E CB 0.180 29.928 29.700 0.079 0.000 0.955 121 E HN 0.190 nan 8.360 nan 0.000 0.455 122 D N 0.077 120.497 120.400 0.032 0.000 3.079 122 D HA -0.187 4.453 4.640 -0.000 0.000 0.214 122 D C 0.403 176.696 176.300 -0.013 0.000 1.145 122 D CA 1.192 55.196 54.000 0.006 0.000 0.958 122 D CB -1.776 39.033 40.800 0.015 0.000 1.117 122 D HN 0.499 nan 8.370 nan 0.000 0.416 123 V N -1.584 118.320 119.914 -0.017 0.000 2.811 123 V HA 0.223 4.343 4.120 -0.000 0.000 0.302 123 V C 1.143 177.180 176.094 -0.094 0.000 1.063 123 V CA 0.228 62.505 62.300 -0.038 0.000 1.088 123 V CB 1.484 33.282 31.823 -0.041 0.000 0.982 123 V HN -0.122 nan 8.190 nan 0.000 0.485 124 D N 1.929 122.285 120.400 -0.072 0.000 2.366 124 D HA 0.142 4.781 4.640 -0.000 0.000 0.205 124 D C -0.406 175.623 176.300 -0.451 0.000 1.022 124 D CA 0.900 54.779 54.000 -0.200 0.000 0.868 124 D CB 0.433 41.187 40.800 -0.078 0.000 0.953 124 D HN 0.694 nan 8.370 nan 0.000 0.514 125 W N 0.434 121.653 121.300 -0.136 0.000 3.032 125 W HA 0.581 5.241 4.660 -0.000 0.000 0.335 125 W C -0.998 175.418 176.519 -0.173 0.000 1.154 125 W CA -0.866 56.407 57.345 -0.120 0.000 1.204 125 W CB 1.744 31.182 29.460 -0.036 0.000 1.416 125 W HN -0.304 nan 8.180 nan 0.000 0.521 126 A N 3.378 126.202 122.820 0.007 0.000 2.457 126 A HA 0.713 5.033 4.320 -0.000 0.000 0.283 126 A C -1.481 176.097 177.584 -0.010 0.000 1.166 126 A CA -0.661 51.291 52.037 -0.143 0.000 0.740 126 A CB 0.399 19.140 19.000 -0.432 0.000 1.181 126 A HN 0.646 nan 8.150 nan 0.000 0.446 127 L N 3.972 125.219 121.223 0.041 0.000 2.288 127 L HA 0.316 4.656 4.340 -0.000 0.000 0.283 127 L C -0.552 176.368 176.870 0.084 0.000 1.072 127 L CA -0.182 54.701 54.840 0.071 0.000 0.862 127 L CB 0.532 42.624 42.059 0.055 0.000 1.245 127 L HN 0.588 nan 8.230 nan 0.000 0.432 128 L N 4.868 126.166 121.223 0.125 0.000 2.358 128 L HA 0.266 4.606 4.340 -0.000 0.000 0.274 128 L C 1.068 178.084 176.870 0.244 0.000 1.136 128 L CA -0.012 54.937 54.840 0.182 0.000 0.970 128 L CB 0.452 42.677 42.059 0.277 0.000 1.314 128 L HN 0.707 nan 8.230 nan 0.000 0.427 129 I N 0.861 121.530 120.570 0.166 0.000 2.867 129 I HA 0.062 4.232 4.170 -0.000 0.000 0.265 129 I C 1.728 177.949 176.117 0.173 0.000 1.162 129 I CA 0.119 61.513 61.300 0.157 0.000 1.471 129 I CB 0.019 38.081 38.000 0.102 0.000 1.123 129 I HN 0.600 nan 8.210 nan 0.000 0.440 130 G N 1.885 110.768 108.800 0.138 0.000 2.305 130 G HA2 0.420 4.380 3.960 -0.000 0.000 0.243 130 G HA3 0.420 4.380 3.960 -0.000 0.000 0.243 130 G C -0.388 174.625 174.900 0.188 0.000 1.288 130 G CA 0.414 45.582 45.100 0.113 0.000 0.901 130 G HN 0.440 nan 8.290 nan 0.000 0.516 131 A N 2.198 125.118 122.820 0.168 0.000 2.585 131 A HA 0.589 4.909 4.320 -0.000 0.000 0.299 131 A C -0.534 177.126 177.584 0.126 0.000 1.047 131 A CA -0.943 51.218 52.037 0.207 0.000 0.723 131 A CB 1.048 20.206 19.000 0.262 0.000 1.275 131 A HN 0.582 nan 8.150 nan 0.000 0.408 132 K N 1.936 122.403 120.400 0.111 0.000 2.412 132 K HA 0.481 4.801 4.320 -0.000 0.000 0.281 132 K C -2.531 174.106 176.600 0.062 0.000 1.027 132 K CA -1.041 55.291 56.287 0.075 0.000 0.989 132 K CB 0.060 32.600 32.500 0.065 0.000 0.935 132 K HN 0.474 nan 8.250 nan 0.000 0.475 133 P HA 0.099 nan 4.420 nan 0.000 0.272 133 P C -0.870 176.445 177.300 0.025 0.000 1.230 133 P CA -0.463 62.658 63.100 0.036 0.000 0.788 133 P CB 0.511 32.231 31.700 0.033 0.000 0.949 134 R N 1.558 122.066 120.500 0.014 0.000 2.402 134 R HA 0.258 4.598 4.340 -0.000 0.000 0.331 134 R C 0.536 176.840 176.300 0.006 0.000 1.040 134 R CA -0.048 56.055 56.100 0.006 0.000 0.980 134 R CB -0.698 29.598 30.300 -0.006 0.000 0.967 134 R HN 0.661 nan 8.270 nan 0.000 0.440 135 G N 4.679 113.484 108.800 0.009 0.000 2.634 135 G HA2 0.186 4.146 3.960 -0.000 0.000 0.255 135 G HA3 0.186 4.146 3.960 -0.000 0.000 0.255 135 G C -2.295 172.607 174.900 0.003 0.000 1.205 135 G CA -1.158 43.947 45.100 0.008 0.000 0.884 135 G HN 0.476 nan 8.290 nan 0.000 0.549 136 P HA 0.210 nan 4.420 nan 0.000 0.263 136 P C 0.771 178.071 177.300 -0.001 0.000 1.195 136 P CA 1.358 64.458 63.100 0.000 0.000 0.762 136 P CB 0.850 32.551 31.700 0.002 0.000 0.799 137 G N 3.234 112.032 108.800 -0.004 0.000 2.305 137 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.287 137 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.287 137 G C 0.055 174.951 174.900 -0.006 0.000 1.036 137 G CA 0.093 45.190 45.100 -0.006 0.000 0.887 137 G HN 0.596 nan 8.290 nan 0.000 0.505 138 M N 1.576 121.172 119.600 -0.006 0.000 2.103 138 M HA 0.366 4.846 4.480 -0.000 0.000 0.350 138 M C 0.821 177.114 176.300 -0.012 0.000 1.100 138 M CA -0.902 54.394 55.300 -0.006 0.000 1.042 138 M CB 0.341 32.940 32.600 -0.001 0.000 1.368 138 M HN 0.342 nan 8.290 nan 0.000 0.404 139 E N 2.706 122.896 120.200 -0.015 0.000 2.458 139 E HA -0.139 4.210 4.350 -0.000 0.000 0.264 139 E C 0.343 176.928 176.600 -0.025 0.000 1.097 139 E CA -0.024 56.363 56.400 -0.023 0.000 0.973 139 E CB 0.364 30.048 29.700 -0.027 0.000 0.963 139 E HN 0.742 nan 8.360 nan 0.000 0.451 140 R N 2.183 122.663 120.500 -0.032 0.000 2.117 140 R HA -0.184 4.155 4.340 -0.000 0.000 0.243 140 R C 2.150 178.430 176.300 -0.034 0.000 1.143 140 R CA 2.377 58.455 56.100 -0.035 0.000 0.968 140 R CB -1.049 29.224 30.300 -0.044 0.000 0.863 140 R HN 0.679 nan 8.270 nan 0.000 0.444 141 A N -0.028 122.769 122.820 -0.039 0.000 1.902 141 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 141 A C 2.377 179.950 177.584 -0.019 0.000 1.181 141 A CA 1.842 53.857 52.037 -0.038 0.000 0.623 141 A CB -1.073 17.895 19.000 -0.054 0.000 0.818 141 A HN 0.484 nan 8.150 nan 0.000 0.443 142 A N -0.778 122.033 122.820 -0.014 0.000 1.933 142 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 142 A C 2.107 179.696 177.584 0.009 0.000 1.175 142 A CA 1.673 53.710 52.037 -0.001 0.000 0.628 142 A CB -0.535 18.464 19.000 -0.002 0.000 0.814 142 A HN 0.605 nan 8.150 nan 0.000 0.444 143 L N -0.396 120.828 121.223 0.002 0.000 2.093 143 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 143 L C 2.246 179.123 176.870 0.012 0.000 1.085 143 L CA 1.501 56.346 54.840 0.008 0.000 0.755 143 L CB -0.461 41.596 42.059 -0.004 0.000 0.904 143 L HN 0.391 nan 8.230 nan 0.000 0.435 144 L N -0.699 120.525 121.223 0.001 0.000 2.083 144 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 144 L C 2.227 179.112 176.870 0.026 0.000 1.083 144 L CA 1.597 56.438 54.840 0.001 0.000 0.752 144 L CB -0.550 41.503 42.059 -0.011 0.000 0.899 144 L HN 0.351 nan 8.230 nan 0.000 0.433 145 D N 0.078 120.497 120.400 0.031 0.000 2.120 145 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 145 D C 2.191 178.531 176.300 0.067 0.000 0.972 145 D CA 1.088 55.119 54.000 0.052 0.000 0.837 145 D CB 0.098 40.923 40.800 0.042 0.000 0.989 145 D HN 0.193 nan 8.370 nan 0.000 0.469 146 I N 0.462 121.067 120.570 0.058 0.000 2.113 146 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 146 I C 2.024 178.202 176.117 0.101 0.000 1.070 146 I CA 0.928 62.269 61.300 0.069 0.000 1.332 146 I CB -0.375 37.658 38.000 0.055 0.000 1.044 146 I HN 0.071 nan 8.210 nan 0.000 0.402 147 N N 1.028 119.795 118.700 0.111 0.000 2.309 147 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 147 N C 1.844 177.507 175.510 0.255 0.000 1.018 147 N CA 1.354 54.519 53.050 0.190 0.000 0.876 147 N CB -0.417 38.162 38.487 0.153 0.000 0.972 147 N HN 0.439 nan 8.380 nan 0.000 0.434 148 G N 0.906 109.795 108.800 0.148 0.000 2.418 148 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 148 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 148 G C 1.577 176.584 174.900 0.177 0.000 1.158 148 G CA 0.700 45.887 45.100 0.145 0.000 0.771 148 G HN 0.267 nan 8.290 nan 0.000 0.545 149 Q N 0.538 120.422 119.800 0.140 0.000 2.096 149 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 149 Q C 2.440 178.511 176.000 0.118 0.000 0.982 149 Q CA 1.273 57.144 55.803 0.114 0.000 0.850 149 Q CB -0.438 28.358 28.738 0.096 0.000 0.901 149 Q HN 0.585 nan 8.270 nan 0.000 0.422 150 I N -0.648 120.006 120.570 0.139 0.000 2.163 150 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 150 I C 1.573 177.691 176.117 0.001 0.000 1.085 150 I CA 1.172 62.511 61.300 0.066 0.000 1.347 150 I CB -0.278 37.765 38.000 0.072 0.000 1.044 150 I HN 0.163 nan 8.210 nan 0.000 0.408 151 F N 0.616 120.606 119.950 0.068 0.000 2.325 151 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 151 F C 2.481 178.321 175.800 0.066 0.000 1.090 151 F CA 0.948 58.996 58.000 0.080 0.000 1.392 151 F CB -0.661 38.384 39.000 0.075 0.000 1.053 151 F HN -0.021 nan 8.300 nan 0.000 0.521 152 A N -0.146 122.786 122.820 0.186 0.000 1.873 152 A HA -0.245 4.074 4.320 -0.000 0.000 0.215 152 A C 1.897 179.529 177.584 0.079 0.000 1.186 152 A CA 2.127 54.227 52.037 0.105 0.000 0.616 152 A CB -0.982 18.057 19.000 0.064 0.000 0.823 152 A HN 0.357 nan 8.150 nan 0.000 0.442 153 D N -0.855 119.586 120.400 0.068 0.000 2.097 153 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 153 D C 2.140 178.448 176.300 0.014 0.000 0.984 153 D CA 1.577 55.614 54.000 0.061 0.000 0.826 153 D CB -0.195 40.641 40.800 0.061 0.000 0.973 153 D HN 0.561 nan 8.370 nan 0.000 0.460 154 Q N -0.392 119.408 119.800 0.001 0.000 2.181 154 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 154 Q C 2.269 178.342 176.000 0.122 0.000 0.980 154 Q CA 1.241 57.088 55.803 0.074 0.000 0.862 154 Q CB -0.248 28.507 28.738 0.028 0.000 0.905 154 Q HN 0.415 nan 8.270 nan 0.000 0.429 155 G N 1.399 110.263 108.800 0.107 0.000 2.418 155 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 155 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 155 G C 1.328 176.271 174.900 0.071 0.000 1.158 155 G CA 0.537 45.713 45.100 0.127 0.000 0.771 155 G HN 0.196 nan 8.290 nan 0.000 0.545 156 K N 0.544 120.968 120.400 0.040 0.000 2.057 156 K HA 0.092 4.412 4.320 -0.000 0.000 0.206 156 K C 2.973 179.520 176.600 -0.088 0.000 1.050 156 K CA 0.855 57.166 56.287 0.041 0.000 0.935 156 K CB -0.202 32.377 32.500 0.132 0.000 0.715 156 K HN 0.256 nan 8.250 nan 0.000 0.439 157 A N 1.816 124.414 122.820 -0.369 0.000 1.883 157 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 157 A C 2.176 179.670 177.584 -0.150 0.000 1.186 157 A CA 1.354 52.927 52.037 -0.774 0.000 0.624 157 A CB -0.769 17.768 19.000 -0.772 0.000 0.822 157 A HN 0.156 nan 8.150 nan 0.000 0.444 158 L N -0.196 121.050 121.223 0.039 0.000 2.079 158 L HA -0.217 4.122 4.340 -0.000 0.000 0.210 158 L C 2.598 179.468 176.870 0.000 0.000 1.081 158 L CA 1.560 56.399 54.840 -0.002 0.000 0.752 158 L CB -0.641 41.369 42.059 -0.081 0.000 0.896 158 L HN 0.561 nan 8.230 nan 0.000 0.433 159 N N 0.153 118.869 118.700 0.027 0.000 2.188 159 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 159 N C 1.770 177.307 175.510 0.045 0.000 1.018 159 N CA 1.374 54.449 53.050 0.041 0.000 0.858 159 N CB 0.229 38.748 38.487 0.054 0.000 0.989 159 N HN 0.338 nan 8.380 nan 0.000 0.426 160 A N 0.451 123.309 122.820 0.062 0.000 1.878 160 A HA -0.011 4.308 4.320 -0.000 0.000 0.213 160 A C 2.128 179.765 177.584 0.087 0.000 1.192 160 A CA 1.608 53.707 52.037 0.104 0.000 0.619 160 A CB -0.357 18.775 19.000 0.221 0.000 0.837 160 A HN 0.266 nan 8.150 nan 0.000 0.446 161 V N -4.208 115.752 119.914 0.076 0.000 3.635 161 V HA 0.642 4.762 4.120 -0.000 0.000 0.266 161 V C 1.066 177.189 176.094 0.049 0.000 1.316 161 V CA 0.295 62.640 62.300 0.076 0.000 1.060 161 V CB -0.753 31.136 31.823 0.109 0.000 0.820 161 V HN 0.524 nan 8.190 nan 0.000 0.447 162 A N 1.137 123.970 122.820 0.022 0.000 2.259 162 A HA 0.639 4.958 4.320 -0.000 0.000 0.278 162 A C 0.640 178.196 177.584 -0.046 0.000 1.107 162 A CA 0.551 52.573 52.037 -0.026 0.000 0.828 162 A CB 0.469 19.405 19.000 -0.107 0.000 1.111 162 A HN 0.763 nan 8.150 nan 0.000 0.498 163 S N -0.431 115.223 115.700 -0.077 0.000 2.562 163 S HA 0.090 4.559 4.470 -0.000 0.000 0.281 163 S C 0.871 175.415 174.600 -0.094 0.000 1.333 163 S CA -0.343 57.809 58.200 -0.080 0.000 1.052 163 S CB 0.365 63.503 63.200 -0.104 0.000 0.884 163 S HN 0.504 nan 8.310 nan 0.000 0.506 164 K N 2.823 123.182 120.400 -0.069 0.000 2.442 164 K HA -0.033 4.287 4.320 -0.000 0.000 0.198 164 K C 0.761 177.306 176.600 -0.092 0.000 1.042 164 K CA 0.802 57.051 56.287 -0.063 0.000 0.958 164 K CB -0.650 31.827 32.500 -0.039 0.000 0.766 164 K HN 0.690 nan 8.250 nan 0.000 0.474 165 N N 0.439 119.063 118.700 -0.126 0.000 2.338 165 N HA -0.011 4.729 4.740 -0.000 0.000 0.251 165 N C -0.870 174.480 175.510 -0.267 0.000 1.199 165 N CA -0.175 52.777 53.050 -0.164 0.000 0.879 165 N CB 0.491 38.898 38.487 -0.133 0.000 1.159 165 N HN -0.192 nan 8.380 nan 0.000 0.514 166 V N 1.104 120.844 119.914 -0.289 0.000 2.872 166 V HA 0.151 4.271 4.120 -0.000 0.000 0.307 166 V C -0.420 175.368 176.094 -0.509 0.000 1.072 166 V CA 0.013 62.070 62.300 -0.404 0.000 1.148 166 V CB 0.479 32.096 31.823 -0.343 0.000 0.954 166 V HN 0.112 nan 8.190 nan 0.000 0.490 167 K N 5.731 125.723 120.400 -0.680 0.000 2.185 167 K HA 0.511 4.831 4.320 -0.000 0.000 0.269 167 K C -1.006 175.367 176.600 -0.378 0.000 0.987 167 K CA -0.431 55.499 56.287 -0.596 0.000 0.865 167 K CB 1.710 33.587 32.500 -1.038 0.000 1.090 167 K HN 0.484 nan 8.250 nan 0.000 0.450 168 V N 4.496 124.206 119.914 -0.339 0.000 2.357 168 V HA 0.271 4.391 4.120 -0.000 0.000 0.284 168 V C -0.567 175.543 176.094 0.027 0.000 1.018 168 V CA -0.949 61.210 62.300 -0.235 0.000 0.841 168 V CB 1.139 32.667 31.823 -0.491 0.000 0.991 168 V HN 0.474 nan 8.190 nan 0.000 0.437 169 L N 6.222 127.503 121.223 0.097 0.000 2.276 169 L HA 0.502 4.841 4.340 -0.000 0.000 0.286 169 L C -0.053 176.910 176.870 0.155 0.000 1.024 169 L CA 0.027 54.952 54.840 0.142 0.000 0.826 169 L CB 1.732 43.854 42.059 0.105 0.000 1.211 169 L HN 0.398 nan 8.230 nan 0.000 0.422 170 V N 4.981 125.002 119.914 0.178 0.000 2.407 170 V HA 0.284 4.404 4.120 -0.000 0.000 0.278 170 V C 0.687 176.849 176.094 0.114 0.000 1.037 170 V CA -0.281 62.133 62.300 0.190 0.000 0.900 170 V CB 1.549 33.453 31.823 0.136 0.000 0.983 170 V HN 0.602 nan 8.190 nan 0.000 0.459 171 V N 3.234 123.233 119.914 0.143 0.000 3.539 171 V HA 0.284 4.404 4.120 -0.000 0.000 0.262 171 V C 1.370 177.538 176.094 0.123 0.000 1.381 171 V CA 0.607 62.970 62.300 0.105 0.000 1.060 171 V CB 0.473 32.352 31.823 0.093 0.000 0.842 171 V HN 0.895 nan 8.190 nan 0.000 0.445 172 G N 1.937 110.848 108.800 0.186 0.000 2.343 172 G HA2 0.173 4.133 3.960 -0.000 0.000 0.254 172 G HA3 0.173 4.133 3.960 -0.000 0.000 0.254 172 G C -0.192 174.711 174.900 0.005 0.000 1.277 172 G CA -0.106 45.106 45.100 0.186 0.000 0.909 172 G HN 0.278 nan 8.290 nan 0.000 0.502 173 N N 2.467 121.182 118.700 0.025 0.000 2.525 173 N HA 0.260 5.000 4.740 -0.000 0.000 0.271 173 N C -2.381 173.092 175.510 -0.062 0.000 1.194 173 N CA -1.180 51.852 53.050 -0.030 0.000 0.964 173 N CB 1.626 40.101 38.487 -0.021 0.000 1.126 173 N HN 0.293 nan 8.380 nan 0.000 0.452 174 P HA 0.193 nan 4.420 nan 0.000 0.288 174 P C 0.599 177.821 177.300 -0.130 0.000 1.363 174 P CA -0.347 62.699 63.100 -0.091 0.000 0.837 174 P CB 0.349 32.002 31.700 -0.078 0.000 0.981 175 C N 4.048 123.299 119.300 -0.082 0.000 2.284 175 C HA -0.282 4.177 4.460 -0.000 0.000 0.269 175 C C 2.491 177.424 174.990 -0.095 0.000 1.133 175 C CA 1.963 60.929 59.018 -0.087 0.000 1.794 175 C CB -2.200 25.558 27.740 0.030 0.000 1.976 175 C HN 0.582 nan 8.230 nan 0.000 0.424 176 N N 0.331 119.004 118.700 -0.045 0.000 2.036 176 N HA -0.139 4.601 4.740 -0.000 0.000 0.195 176 N C 1.633 177.119 175.510 -0.039 0.000 1.037 176 N CA 2.360 55.392 53.050 -0.030 0.000 0.855 176 N CB -0.733 37.736 38.487 -0.029 0.000 1.033 176 N HN 0.565 nan 8.380 nan 0.000 0.423 177 T N 0.675 115.193 114.554 -0.060 0.000 2.867 177 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 177 T C 1.449 176.089 174.700 -0.101 0.000 1.057 177 T CA 0.774 62.840 62.100 -0.057 0.000 1.136 177 T CB -0.252 68.587 68.868 -0.048 0.000 0.874 177 T HN 0.233 nan 8.240 nan 0.000 0.466 178 N N 1.490 120.060 118.700 -0.217 0.000 2.120 178 N HA 0.002 4.742 4.740 -0.000 0.000 0.188 178 N C 2.105 177.486 175.510 -0.215 0.000 1.024 178 N CA 1.300 54.105 53.050 -0.408 0.000 0.852 178 N CB -0.510 37.304 38.487 -1.122 0.000 1.003 178 N HN 0.426 nan 8.380 nan 0.000 0.424 179 A N 0.910 123.656 122.820 -0.125 0.000 1.898 179 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 179 A C 2.236 179.802 177.584 -0.029 0.000 1.181 179 A CA 0.915 52.976 52.037 0.039 0.000 0.620 179 A CB -0.704 18.352 19.000 0.093 0.000 0.819 179 A HN 0.250 nan 8.150 nan 0.000 0.442 180 L N 0.064 121.268 121.223 -0.032 0.000 2.017 180 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 180 L C 2.221 179.038 176.870 -0.087 0.000 1.073 180 L CA 1.833 56.649 54.840 -0.040 0.000 0.745 180 L CB -0.434 41.636 42.059 0.019 0.000 0.894 180 L HN 0.438 nan 8.230 nan 0.000 0.432 181 I N -1.508 119.037 120.570 -0.042 0.000 2.179 181 I HA -0.375 3.795 4.170 -0.000 0.000 0.242 181 I C 2.755 178.859 176.117 -0.021 0.000 1.088 181 I CA 1.438 62.728 61.300 -0.016 0.000 1.357 181 I CB -0.591 37.431 38.000 0.037 0.000 1.051 181 I HN 0.490 nan 8.210 nan 0.000 0.409 182 C N 1.782 121.103 119.300 0.036 0.000 2.413 182 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 182 C C 2.817 177.681 174.990 -0.210 0.000 1.228 182 C CA 1.260 60.333 59.018 0.091 0.000 1.731 182 C CB -1.046 26.910 27.740 0.360 0.000 2.042 182 C HN 0.557 nan 8.230 nan 0.000 0.468 183 L N -0.143 120.617 121.223 -0.772 0.000 2.201 183 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 183 L C 2.064 178.593 176.870 -0.568 0.000 1.105 183 L CA 1.929 55.946 54.840 -1.373 0.000 0.775 183 L CB -1.447 39.433 42.059 -1.966 0.000 0.913 183 L HN 0.286 nan 8.230 nan 0.000 0.440 184 K N 0.873 121.069 120.400 -0.339 0.000 2.365 184 K HA 0.006 4.326 4.320 -0.000 0.000 0.199 184 K C 1.255 177.783 176.600 -0.119 0.000 1.045 184 K CA 0.490 56.663 56.287 -0.190 0.000 0.962 184 K CB -0.130 32.302 32.500 -0.114 0.000 0.759 184 K HN 0.545 nan 8.250 nan 0.000 0.469 185 N N 0.042 118.684 118.700 -0.097 0.000 2.235 185 N HA 0.061 4.801 4.740 -0.000 0.000 0.209 185 N C -0.440 175.066 175.510 -0.006 0.000 1.122 185 N CA 0.085 53.116 53.050 -0.031 0.000 0.845 185 N CB 0.992 39.482 38.487 0.006 0.000 1.004 185 N HN -0.043 nan 8.380 nan 0.000 0.499 186 A N 1.333 124.134 122.820 -0.033 0.000 3.317 186 A HA 0.310 4.630 4.320 -0.000 0.000 0.307 186 A C -1.774 175.809 177.584 -0.002 0.000 1.003 186 A CA -0.866 51.191 52.037 0.033 0.000 0.882 186 A CB 0.760 19.862 19.000 0.171 0.000 1.136 186 A HN -0.101 nan 8.150 nan 0.000 0.488 187 P HA -0.133 nan 4.420 nan 0.000 0.222 187 P C 0.149 177.441 177.300 -0.013 0.000 1.147 187 P CA 1.087 64.164 63.100 -0.038 0.000 0.790 187 P CB 0.299 31.981 31.700 -0.032 0.000 0.780 188 D N -0.278 120.128 120.400 0.010 0.000 2.349 188 D HA 0.131 4.770 4.640 -0.000 0.000 0.224 188 D C 0.812 177.124 176.300 0.020 0.000 1.029 188 D CA 0.418 54.425 54.000 0.012 0.000 0.879 188 D CB 0.280 41.089 40.800 0.015 0.000 0.906 188 D HN 0.323 nan 8.370 nan 0.000 0.528 189 I N 1.520 122.122 120.570 0.054 0.000 2.406 189 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 189 I C -2.352 173.837 176.117 0.119 0.000 0.999 189 I CA -2.398 58.952 61.300 0.083 0.000 1.124 189 I CB 2.148 40.240 38.000 0.153 0.000 1.289 189 I HN -0.419 nan 8.210 nan 0.000 0.441 190 P HA -0.048 nan 4.420 nan 0.000 0.260 190 P C 0.525 177.898 177.300 0.122 0.000 1.172 190 P CA 0.176 63.298 63.100 0.038 0.000 0.760 190 P CB 0.808 32.506 31.700 -0.003 0.000 0.773 191 A N 5.308 128.112 122.820 -0.026 0.000 1.948 191 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 191 A C 2.008 179.645 177.584 0.088 0.000 1.177 191 A CA 1.741 53.678 52.037 -0.167 0.000 0.636 191 A CB -0.990 17.587 19.000 -0.706 0.000 0.815 191 A HN 0.615 nan 8.150 nan 0.000 0.449 192 K N -0.318 120.131 120.400 0.082 0.000 2.281 192 K HA -0.200 4.120 4.320 -0.000 0.000 0.203 192 K C 0.719 177.418 176.600 0.165 0.000 1.046 192 K CA 1.693 58.054 56.287 0.123 0.000 0.938 192 K CB -0.285 32.205 32.500 -0.017 0.000 0.737 192 K HN 0.393 nan 8.250 nan 0.000 0.458 193 N N -0.084 118.699 118.700 0.139 0.000 2.461 193 N HA 0.038 4.778 4.740 -0.000 0.000 0.188 193 N C -0.778 174.682 175.510 -0.084 0.000 1.134 193 N CA 0.390 53.447 53.050 0.013 0.000 0.878 193 N CB 0.048 38.427 38.487 -0.180 0.000 0.972 193 N HN 0.042 nan 8.380 nan 0.000 0.456 194 F N 0.496 120.430 119.950 -0.027 0.000 2.408 194 F HA 0.345 4.872 4.527 -0.000 0.000 0.344 194 F C 0.734 176.456 175.800 -0.131 0.000 1.112 194 F CA -0.547 57.451 58.000 -0.004 0.000 1.096 194 F CB 0.900 39.892 39.000 -0.012 0.000 1.129 194 F HN -0.012 nan 8.300 nan 0.000 0.486 195 H N 1.383 120.563 119.070 0.184 0.000 2.679 195 H HA 0.677 5.232 4.556 -0.000 0.000 0.360 195 H C -1.019 174.357 175.328 0.079 0.000 1.105 195 H CA -1.036 55.075 56.048 0.105 0.000 1.196 195 H CB 2.126 31.923 29.762 0.058 0.000 1.636 195 H HN 0.672 nan 8.280 nan 0.000 0.531 196 A N 4.650 127.555 122.820 0.143 0.000 2.273 196 A HA 0.354 4.674 4.320 -0.000 0.000 0.315 196 A C -0.026 177.559 177.584 0.001 0.000 1.256 196 A CA -0.737 51.334 52.037 0.056 0.000 0.851 196 A CB 0.365 19.374 19.000 0.016 0.000 1.172 196 A HN 0.537 nan 8.150 nan 0.000 0.508 197 L N 3.497 124.698 121.223 -0.037 0.000 2.418 197 L HA 0.197 4.537 4.340 -0.000 0.000 0.274 197 L C 1.168 177.856 176.870 -0.303 0.000 1.135 197 L CA 0.496 55.265 54.840 -0.118 0.000 0.870 197 L CB 0.433 42.433 42.059 -0.098 0.000 1.154 197 L HN 0.944 nan 8.230 nan 0.000 0.462 198 T N -1.636 112.768 114.554 -0.250 0.000 3.091 198 T HA 0.055 4.404 4.350 -0.000 0.000 0.277 198 T C 1.459 176.041 174.700 -0.196 0.000 0.996 198 T CA -0.511 61.395 62.100 -0.322 0.000 0.897 198 T CB 0.223 68.962 68.868 -0.216 0.000 1.109 198 T HN 0.369 nan 8.240 nan 0.000 0.534 199 R N 1.377 121.790 120.500 -0.145 0.000 2.091 199 R HA 0.079 4.418 4.340 -0.000 0.000 0.238 199 R C 2.029 178.269 176.300 -0.099 0.000 1.136 199 R CA 1.257 57.300 56.100 -0.095 0.000 0.959 199 R CB -1.313 28.929 30.300 -0.095 0.000 0.856 199 R HN 0.440 nan 8.270 nan 0.000 0.437 200 L N 0.775 121.927 121.223 -0.118 0.000 2.012 200 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 200 L C 1.405 178.238 176.870 -0.063 0.000 1.073 200 L CA 2.190 56.977 54.840 -0.088 0.000 0.748 200 L CB -0.678 41.341 42.059 -0.066 0.000 0.891 200 L HN 0.256 nan 8.230 nan 0.000 0.431 201 D N -0.869 119.494 120.400 -0.061 0.000 2.178 201 D HA -0.224 4.415 4.640 -0.000 0.000 0.202 201 D C 1.891 178.171 176.300 -0.032 0.000 0.974 201 D CA 1.388 55.368 54.000 -0.033 0.000 0.841 201 D CB 0.173 40.966 40.800 -0.012 0.000 0.953 201 D HN 0.653 nan 8.370 nan 0.000 0.478 202 E N 1.055 121.235 120.200 -0.034 0.000 2.047 202 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 202 E C 1.714 178.320 176.600 0.010 0.000 0.987 202 E CA 0.838 57.242 56.400 0.006 0.000 0.799 202 E CB 0.162 29.870 29.700 0.014 0.000 0.752 202 E HN 0.029 nan 8.360 nan 0.000 0.449 203 N N 0.700 119.380 118.700 -0.034 0.000 2.149 203 N HA -0.148 4.591 4.740 -0.000 0.000 0.188 203 N C 1.807 177.291 175.510 -0.044 0.000 1.019 203 N CA 1.109 54.120 53.050 -0.066 0.000 0.857 203 N CB -0.268 38.150 38.487 -0.115 0.000 0.997 203 N HN 0.215 nan 8.380 nan 0.000 0.426 204 R N 0.484 120.971 120.500 -0.022 0.000 2.073 204 R HA 0.118 4.458 4.340 -0.000 0.000 0.229 204 R C 2.244 178.590 176.300 0.075 0.000 1.120 204 R CA 1.101 57.204 56.100 0.006 0.000 0.967 204 R CB -0.263 30.032 30.300 -0.008 0.000 0.862 204 R HN 0.167 nan 8.270 nan 0.000 0.436 205 A N 1.661 124.533 122.820 0.086 0.000 1.877 205 A HA -0.237 4.082 4.320 -0.000 0.000 0.216 205 A C 2.058 179.861 177.584 0.365 0.000 1.186 205 A CA 1.665 53.837 52.037 0.226 0.000 0.620 205 A CB -0.423 18.680 19.000 0.171 0.000 0.822 205 A HN 0.251 nan 8.150 nan 0.000 0.443 206 K N -0.555 119.970 120.400 0.209 0.000 2.097 206 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 206 K C 2.137 178.824 176.600 0.145 0.000 1.049 206 K CA 1.625 58.008 56.287 0.161 0.000 0.933 206 K CB -0.540 32.001 32.500 0.069 0.000 0.717 206 K HN 0.542 nan 8.250 nan 0.000 0.442 207 C N 1.251 120.618 119.300 0.112 0.000 2.432 207 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 207 C C 2.713 177.807 174.990 0.174 0.000 1.249 207 C CA 0.869 59.955 59.018 0.113 0.000 1.725 207 C CB -0.671 27.103 27.740 0.057 0.000 2.028 207 C HN 0.538 nan 8.230 nan 0.000 0.477 208 Q N 0.630 120.581 119.800 0.252 0.000 2.084 208 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 208 Q C 2.276 178.507 176.000 0.385 0.000 0.978 208 Q CA 1.556 57.578 55.803 0.365 0.000 0.844 208 Q CB -0.693 28.349 28.738 0.506 0.000 0.898 208 Q HN 0.718 nan 8.270 nan 0.000 0.426 209 L N 0.098 121.545 121.223 0.373 0.000 1.994 209 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 209 L C 2.492 179.399 176.870 0.063 0.000 1.071 209 L CA 1.257 56.218 54.840 0.202 0.000 0.745 209 L CB -0.751 41.386 42.059 0.129 0.000 0.892 209 L HN 0.146 nan 8.230 nan 0.000 0.431 210 A N -0.015 122.855 122.820 0.082 0.000 1.873 210 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 210 A C 2.217 179.808 177.584 0.012 0.000 1.193 210 A CA 2.113 54.174 52.037 0.040 0.000 0.629 210 A CB -0.900 18.134 19.000 0.057 0.000 0.826 210 A HN 0.340 nan 8.150 nan 0.000 0.447 211 L N -0.272 120.973 121.223 0.037 0.000 1.989 211 L HA -0.183 4.156 4.340 -0.000 0.000 0.211 211 L C 2.323 179.137 176.870 -0.093 0.000 1.071 211 L CA 2.893 57.737 54.840 0.007 0.000 0.749 211 L CB -0.629 41.462 42.059 0.053 0.000 0.890 211 L HN 0.371 nan 8.230 nan 0.000 0.431 212 K N 0.216 120.502 120.400 -0.190 0.000 2.032 212 K HA -0.081 4.239 4.320 -0.000 0.000 0.209 212 K C 1.714 178.107 176.600 -0.345 0.000 1.048 212 K CA 1.779 57.786 56.287 -0.466 0.000 0.927 212 K CB -0.683 31.183 32.500 -1.057 0.000 0.712 212 K HN 0.426 nan 8.250 nan 0.000 0.441 213 A N -0.425 122.256 122.820 -0.230 0.000 2.276 213 A HA 0.300 4.620 4.320 -0.000 0.000 0.212 213 A C 1.066 178.590 177.584 -0.101 0.000 1.230 213 A CA 0.576 52.518 52.037 -0.158 0.000 0.844 213 A CB -0.926 18.009 19.000 -0.109 0.000 0.860 213 A HN 0.516 nan 8.150 nan 0.000 0.486 214 G N -0.940 107.804 108.800 -0.094 0.000 2.356 214 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.296 214 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.296 214 G C 0.064 174.950 174.900 -0.024 0.000 1.022 214 G CA 0.678 45.745 45.100 -0.055 0.000 0.961 214 G HN 1.178 nan 8.290 nan 0.000 0.510 215 V N -0.688 119.224 119.914 -0.004 0.000 3.074 215 V HA 0.835 4.955 4.120 -0.000 0.000 0.314 215 V C 0.058 176.201 176.094 0.082 0.000 1.117 215 V CA -1.491 60.826 62.300 0.029 0.000 1.014 215 V CB 1.803 33.633 31.823 0.012 0.000 1.057 215 V HN 0.358 nan 8.190 nan 0.000 0.438 216 F N 3.566 123.448 119.950 -0.114 0.000 2.410 216 F HA 0.318 4.845 4.527 -0.000 0.000 0.334 216 F C 0.903 176.623 175.800 -0.133 0.000 1.134 216 F CA -0.589 57.281 58.000 -0.216 0.000 1.227 216 F CB 0.954 39.782 39.000 -0.288 0.000 1.194 216 F HN 0.680 nan 8.300 nan 0.000 0.571 217 Y N 0.040 119.965 120.300 -0.626 0.000 2.569 217 Y HA -0.042 4.508 4.550 -0.000 0.000 0.293 217 Y C 1.526 177.260 175.900 -0.277 0.000 1.144 217 Y CA 0.671 58.521 58.100 -0.418 0.000 1.321 217 Y CB -1.689 36.493 38.460 -0.463 0.000 0.982 217 Y HN 0.472 nan 8.280 nan 0.000 0.558 218 D N 0.359 120.726 120.400 -0.055 0.000 2.349 218 D HA -0.051 4.588 4.640 -0.000 0.000 0.224 218 D C 0.864 177.202 176.300 0.064 0.000 1.029 218 D CA 0.502 54.557 54.000 0.092 0.000 0.879 218 D CB -0.327 40.573 40.800 0.166 0.000 0.906 218 D HN 0.424 nan 8.370 nan 0.000 0.528 219 K N 0.038 120.466 120.400 0.048 0.000 2.399 219 K HA 0.239 4.559 4.320 -0.000 0.000 0.204 219 K C -0.499 176.110 176.600 0.015 0.000 1.023 219 K CA -0.151 56.156 56.287 0.033 0.000 1.127 219 K CB 1.559 34.083 32.500 0.040 0.000 0.856 219 K HN -0.001 nan 8.250 nan 0.000 0.514 220 V N 1.388 121.311 119.914 0.016 0.000 2.513 220 V HA 0.367 4.487 4.120 -0.000 0.000 0.299 220 V C -0.076 176.009 176.094 -0.015 0.000 1.035 220 V CA -0.690 61.616 62.300 0.010 0.000 0.889 220 V CB 1.555 33.399 31.823 0.035 0.000 0.988 220 V HN 0.291 nan 8.190 nan 0.000 0.440 221 S N 2.551 118.222 115.700 -0.048 0.000 2.705 221 S HA 0.517 4.987 4.470 -0.000 0.000 0.280 221 S C -0.177 174.305 174.600 -0.196 0.000 1.174 221 S CA -0.724 57.404 58.200 -0.121 0.000 0.823 221 S CB 1.663 64.772 63.200 -0.152 0.000 1.162 221 S HN 0.750 nan 8.310 nan 0.000 0.487 222 N N -0.412 118.027 118.700 -0.435 0.000 2.727 222 N HA -0.116 4.624 4.740 -0.000 0.000 0.249 222 N C -0.860 174.600 175.510 -0.083 0.000 1.048 222 N CA 0.783 53.359 53.050 -0.789 0.000 0.714 222 N CB -1.223 36.743 38.487 -0.868 0.000 0.959 222 N HN 0.565 nan 8.380 nan 0.000 0.544 223 V N 1.157 121.110 119.914 0.066 0.000 2.406 223 V HA 0.292 4.412 4.120 -0.000 0.000 0.272 223 V C 0.780 177.068 176.094 0.323 0.000 1.043 223 V CA 0.024 62.462 62.300 0.231 0.000 0.915 223 V CB 1.741 33.666 31.823 0.169 0.000 0.988 223 V HN 0.132 nan 8.190 nan 0.000 0.466 224 T N 6.086 120.831 114.554 0.319 0.000 2.856 224 T HA 0.624 4.974 4.350 -0.000 0.000 0.283 224 T C -0.486 174.226 174.700 0.020 0.000 1.008 224 T CA -0.440 61.707 62.100 0.078 0.000 0.997 224 T CB 1.715 70.464 68.868 -0.198 0.000 0.992 224 T HN 0.294 nan 8.240 nan 0.000 0.454 225 I N 2.643 123.141 120.570 -0.121 0.000 2.382 225 I HA 0.359 4.528 4.170 -0.000 0.000 0.285 225 I C -1.040 174.997 176.117 -0.133 0.000 1.007 225 I CA -0.798 60.469 61.300 -0.054 0.000 1.142 225 I CB 1.105 39.063 38.000 -0.070 0.000 1.289 225 I HN 0.673 nan 8.210 nan 0.000 0.453 226 W N 4.699 125.914 121.300 -0.141 0.000 2.436 226 W HA 0.694 5.353 4.660 -0.000 0.000 0.347 226 W C 0.985 177.210 176.519 -0.489 0.000 1.136 226 W CA 0.482 57.712 57.345 -0.192 0.000 1.286 226 W CB 1.040 30.491 29.460 -0.015 0.000 1.253 226 W HN 0.810 nan 8.180 nan 0.000 0.617 227 G N 1.296 109.484 108.800 -1.021 0.000 2.545 227 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 227 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 227 G C -0.718 173.676 174.900 -0.842 0.000 1.314 227 G CA -0.400 43.742 45.100 -1.595 0.000 0.906 227 G HN 1.031 nan 8.290 nan 0.000 0.563 228 N N -1.475 116.932 118.700 -0.488 0.000 2.482 228 N HA 0.463 5.203 4.740 -0.000 0.000 0.279 228 N C 0.152 175.606 175.510 -0.094 0.000 1.182 228 N CA -0.578 52.334 53.050 -0.230 0.000 0.969 228 N CB 1.244 39.646 38.487 -0.143 0.000 1.201 228 N HN 0.773 nan 8.380 nan 0.000 0.523 229 H N 0.535 119.515 119.070 -0.150 0.000 3.356 229 H HA 0.081 4.637 4.556 -0.000 0.000 0.260 229 H C -0.586 174.681 175.328 -0.102 0.000 1.570 229 H CA -0.261 55.717 56.048 -0.117 0.000 1.547 229 H CB -0.097 29.612 29.762 -0.089 0.000 1.774 229 H HN 0.669 nan 8.280 nan 0.000 0.542 230 S N 1.180 116.813 115.700 -0.111 0.000 2.724 230 S HA -0.006 4.463 4.470 -0.000 0.000 0.278 230 S C 1.205 175.731 174.600 -0.123 0.000 1.190 230 S CA -0.200 57.904 58.200 -0.160 0.000 0.860 230 S CB 0.827 63.954 63.200 -0.123 0.000 1.206 230 S HN 0.408 nan 8.310 nan 0.000 0.507 231 T N -1.183 113.304 114.554 -0.112 0.000 3.025 231 T HA -0.017 4.332 4.350 -0.000 0.000 0.270 231 T C 1.559 176.205 174.700 -0.090 0.000 1.126 231 T CA 1.824 63.868 62.100 -0.094 0.000 1.105 231 T CB -1.334 67.486 68.868 -0.080 0.000 0.884 231 T HN 1.144 nan 8.240 nan 0.000 0.522 232 T N -0.262 114.234 114.554 -0.096 0.000 3.107 232 T HA 0.133 4.483 4.350 -0.000 0.000 0.249 232 T C 0.773 175.405 174.700 -0.114 0.000 1.096 232 T CA -0.658 61.381 62.100 -0.101 0.000 1.012 232 T CB -0.506 68.302 68.868 -0.099 0.000 0.977 232 T HN 0.778 nan 8.240 nan 0.000 0.527 233 Q N 1.029 120.764 119.800 -0.108 0.000 2.386 233 Q HA 0.310 4.649 4.340 -0.000 0.000 0.282 233 Q C -0.927 175.027 176.000 -0.078 0.000 1.050 233 Q CA -0.412 55.328 55.803 -0.105 0.000 0.918 233 Q CB 0.563 29.264 28.738 -0.062 0.000 1.266 233 Q HN 0.178 nan 8.270 nan 0.000 0.423 234 V N 3.413 123.308 119.914 -0.032 0.000 2.293 234 V HA 0.303 4.422 4.120 -0.000 0.000 0.275 234 V C -2.286 173.872 176.094 0.107 0.000 1.021 234 V CA -1.985 60.330 62.300 0.024 0.000 0.815 234 V CB 0.997 32.837 31.823 0.029 0.000 1.025 234 V HN 0.758 nan 8.190 nan 0.000 0.448 235 P HA 0.168 nan 4.420 nan 0.000 0.275 235 P C -0.640 176.844 177.300 0.307 0.000 1.276 235 P CA -0.031 63.108 63.100 0.065 0.000 0.782 235 P CB 0.368 31.832 31.700 -0.394 0.000 0.851 236 D N 3.409 124.024 120.400 0.357 0.000 2.365 236 D HA 0.071 4.711 4.640 -0.000 0.000 0.237 236 D C 0.417 176.906 176.300 0.315 0.000 1.190 236 D CA -0.497 53.672 54.000 0.283 0.000 0.867 236 D CB 0.218 41.300 40.800 0.471 0.000 1.050 236 D HN 0.220 nan 8.370 nan 0.000 0.491 237 F N 3.032 123.192 119.950 0.348 0.000 2.530 237 F HA 0.115 4.642 4.527 -0.000 0.000 0.292 237 F C 1.642 177.538 175.800 0.159 0.000 1.109 237 F CA -0.439 57.670 58.000 0.182 0.000 1.450 237 F CB -0.752 38.254 39.000 0.009 0.000 1.114 237 F HN 0.315 nan 8.300 nan 0.000 0.560 238 L N 1.995 123.199 121.223 -0.031 0.000 2.013 238 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 238 L C 1.702 178.694 176.870 0.204 0.000 1.073 238 L CA 2.026 56.938 54.840 0.119 0.000 0.753 238 L CB -1.057 40.997 42.059 -0.009 0.000 0.890 238 L HN 0.240 nan 8.230 nan 0.000 0.432 239 N N -0.201 118.655 118.700 0.260 0.000 2.336 239 N HA 0.145 4.885 4.740 -0.000 0.000 0.189 239 N C 0.597 176.281 175.510 0.291 0.000 1.113 239 N CA 0.625 53.886 53.050 0.351 0.000 0.858 239 N CB 0.025 38.852 38.487 0.567 0.000 0.970 239 N HN 0.429 nan 8.380 nan 0.000 0.471 240 A N 1.335 124.302 122.820 0.245 0.000 2.366 240 A HA 0.369 4.689 4.320 -0.000 0.000 0.249 240 A C 0.269 177.898 177.584 0.076 0.000 1.084 240 A CA 0.184 52.310 52.037 0.148 0.000 0.794 240 A CB 0.583 19.694 19.000 0.185 0.000 1.034 240 A HN 0.085 nan 8.150 nan 0.000 0.491 241 K N 0.089 120.495 120.400 0.010 0.000 2.477 241 K HA 0.663 4.982 4.320 -0.000 0.000 0.255 241 K C -1.599 174.998 176.600 -0.005 0.000 0.952 241 K CA -0.370 55.915 56.287 -0.003 0.000 0.826 241 K CB 2.412 34.887 32.500 -0.042 0.000 1.331 241 K HN 0.557 nan 8.250 nan 0.000 0.437 242 I N 2.254 122.823 120.570 -0.002 0.000 2.448 242 I HA 0.096 4.266 4.170 -0.000 0.000 0.281 242 I C -0.433 175.680 176.117 -0.006 0.000 1.027 242 I CA -0.071 61.227 61.300 -0.004 0.000 1.111 242 I CB 1.433 39.429 38.000 -0.007 0.000 1.236 242 I HN 0.781 nan 8.210 nan 0.000 0.452 243 D N 4.989 125.385 120.400 -0.006 0.000 2.981 243 D HA -0.174 4.466 4.640 -0.000 0.000 0.223 243 D C 1.003 177.298 176.300 -0.009 0.000 1.151 243 D CA 1.622 55.619 54.000 -0.005 0.000 0.827 243 D CB -0.623 40.175 40.800 -0.003 0.000 1.101 243 D HN 1.114 nan 8.370 nan 0.000 0.426 244 G N -0.624 108.166 108.800 -0.016 0.000 2.195 244 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.246 244 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.246 244 G C 0.383 175.278 174.900 -0.008 0.000 0.984 244 G CA 0.436 45.526 45.100 -0.017 0.000 0.633 244 G HN 0.530 nan 8.290 nan 0.000 0.525 245 R N 0.637 121.136 120.500 -0.003 0.000 2.604 245 R HA 0.495 4.835 4.340 -0.000 0.000 0.287 245 R C -2.794 173.516 176.300 0.016 0.000 0.970 245 R CA -2.107 53.997 56.100 0.007 0.000 0.946 245 R CB 1.374 31.677 30.300 0.005 0.000 1.127 245 R HN 0.001 nan 8.270 nan 0.000 0.473 246 P HA -0.116 nan 4.420 nan 0.000 0.263 246 P C 0.971 178.303 177.300 0.052 0.000 1.195 246 P CA 0.259 63.392 63.100 0.056 0.000 0.762 246 P CB 0.660 32.401 31.700 0.068 0.000 0.799 247 V N 5.257 125.212 119.914 0.067 0.000 2.439 247 V HA -0.339 3.781 4.120 -0.000 0.000 0.253 247 V C 1.773 177.886 176.094 0.031 0.000 1.074 247 V CA 2.023 64.352 62.300 0.047 0.000 1.076 247 V CB -0.709 31.157 31.823 0.072 0.000 0.664 247 V HN 0.530 nan 8.190 nan 0.000 0.461 248 K N 0.015 120.456 120.400 0.069 0.000 2.209 248 K HA -0.185 4.135 4.320 -0.000 0.000 0.204 248 K C 1.842 178.447 176.600 0.008 0.000 1.048 248 K CA 1.868 58.178 56.287 0.038 0.000 0.940 248 K CB -0.158 32.396 32.500 0.090 0.000 0.729 248 K HN 0.823 nan 8.250 nan 0.000 0.451 249 E N -0.021 120.187 120.200 0.014 0.000 2.442 249 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 249 E C 1.545 178.136 176.600 -0.015 0.000 1.030 249 E CA 0.375 56.776 56.400 0.001 0.000 0.869 249 E CB 0.251 29.956 29.700 0.009 0.000 0.857 249 E HN -0.013 nan 8.360 nan 0.000 0.505 250 V N 1.238 121.140 119.914 -0.021 0.000 2.492 250 V HA 0.061 4.181 4.120 -0.000 0.000 0.241 250 V C 1.132 177.188 176.094 -0.064 0.000 1.041 250 V CA 0.529 62.807 62.300 -0.038 0.000 1.057 250 V CB 0.165 31.967 31.823 -0.036 0.000 0.711 250 V HN 0.201 nan 8.190 nan 0.000 0.468 251 I N 1.121 121.648 120.570 -0.073 0.000 2.291 251 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 251 I C 0.818 176.883 176.117 -0.086 0.000 1.050 251 I CA -0.223 61.013 61.300 -0.108 0.000 1.245 251 I CB 1.392 39.314 38.000 -0.130 0.000 1.405 251 I HN 0.086 nan 8.210 nan 0.000 0.478 252 K N 3.713 124.065 120.400 -0.081 0.000 2.243 252 K HA 0.045 4.365 4.320 -0.000 0.000 0.201 252 K C 0.976 177.540 176.600 -0.060 0.000 1.051 252 K CA 0.352 56.602 56.287 -0.062 0.000 0.970 252 K CB -0.086 32.384 32.500 -0.050 0.000 0.755 252 K HN 0.328 nan 8.250 nan 0.000 0.465 253 R N 1.547 122.011 120.500 -0.060 0.000 2.540 253 R HA -0.034 4.306 4.340 -0.000 0.000 0.317 253 R C -0.067 176.226 176.300 -0.010 0.000 1.233 253 R CA 0.366 56.453 56.100 -0.021 0.000 1.003 253 R CB -0.255 30.038 30.300 -0.012 0.000 1.034 253 R HN 0.074 nan 8.270 nan 0.000 0.483 254 T N 2.874 117.398 114.554 -0.050 0.000 2.867 254 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 254 T C 1.526 176.168 174.700 -0.096 0.000 1.057 254 T CA 1.181 63.212 62.100 -0.116 0.000 1.136 254 T CB 0.032 68.842 68.868 -0.096 0.000 0.874 254 T HN 0.532 nan 8.240 nan 0.000 0.466 255 K N -0.234 120.161 120.400 -0.009 0.000 2.002 255 K HA -0.158 4.161 4.320 -0.000 0.000 0.209 255 K C 2.110 178.738 176.600 0.047 0.000 1.048 255 K CA 1.457 57.757 56.287 0.022 0.000 0.930 255 K CB -0.281 32.251 32.500 0.054 0.000 0.714 255 K HN 0.416 nan 8.250 nan 0.000 0.438 256 W N 1.631 122.887 121.300 -0.073 0.000 2.318 256 W HA -0.227 4.433 4.660 -0.000 0.000 0.313 256 W C 1.490 177.969 176.519 -0.066 0.000 1.221 256 W CA 1.665 58.983 57.345 -0.045 0.000 1.266 256 W CB -0.347 29.076 29.460 -0.063 0.000 1.150 256 W HN 0.058 nan 8.180 nan 0.000 0.496 257 L N 0.203 121.361 121.223 -0.108 0.000 2.079 257 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 257 L C 2.088 178.703 176.870 -0.425 0.000 1.081 257 L CA 1.902 56.391 54.840 -0.585 0.000 0.752 257 L CB -0.747 40.672 42.059 -1.067 0.000 0.896 257 L HN 0.106 nan 8.230 nan 0.000 0.433 258 E N -1.146 118.913 120.200 -0.235 0.000 2.472 258 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 258 E C 1.169 177.881 176.600 0.188 0.000 1.033 258 E CA 0.247 56.681 56.400 0.057 0.000 0.886 258 E CB 0.462 30.075 29.700 -0.146 0.000 0.944 258 E HN 0.549 nan 8.360 nan 0.000 0.492 259 E N 0.142 120.359 120.200 0.029 0.000 2.502 259 E HA 0.034 4.383 4.350 -0.000 0.000 0.206 259 E C 1.414 177.976 176.600 -0.063 0.000 0.821 259 E CA 0.056 56.472 56.400 0.026 0.000 1.354 259 E CB 0.470 30.196 29.700 0.043 0.000 1.336 259 E HN 0.082 nan 8.360 nan 0.000 0.675 260 E N 0.789 120.879 120.200 -0.183 0.000 2.102 260 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 260 E C 1.719 178.053 176.600 -0.444 0.000 0.971 260 E CA 0.372 56.620 56.400 -0.252 0.000 0.821 260 E CB -0.027 29.595 29.700 -0.129 0.000 0.777 260 E HN 0.035 nan 8.360 nan 0.000 0.460 261 F N 2.806 122.096 119.950 -1.100 0.000 2.027 261 F HA -0.281 4.245 4.527 -0.000 0.000 0.297 261 F C 2.229 177.814 175.800 -0.358 0.000 1.129 261 F CA 2.102 59.489 58.000 -1.022 0.000 1.195 261 F CB -0.938 37.411 39.000 -1.085 0.000 0.960 261 F HN -0.118 nan 8.300 nan 0.000 0.485 262 T N 1.854 116.191 114.554 -0.361 0.000 2.684 262 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 262 T C 2.220 176.784 174.700 -0.227 0.000 1.036 262 T CA 2.163 64.053 62.100 -0.351 0.000 1.148 262 T CB -0.617 68.167 68.868 -0.140 0.000 0.863 262 T HN 0.342 nan 8.240 nan 0.000 0.436 263 I N 1.092 121.577 120.570 -0.142 0.000 2.286 263 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 263 I C 2.675 178.753 176.117 -0.066 0.000 1.115 263 I CA 1.067 62.317 61.300 -0.084 0.000 1.392 263 I CB -0.717 37.256 38.000 -0.045 0.000 1.065 263 I HN 0.268 nan 8.210 nan 0.000 0.418 264 T N 0.650 115.166 114.554 -0.063 0.000 2.708 264 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 264 T C 2.041 176.728 174.700 -0.020 0.000 1.037 264 T CA 1.303 63.410 62.100 0.011 0.000 1.146 264 T CB -0.260 68.679 68.868 0.118 0.000 0.865 264 T HN 0.105 nan 8.240 nan 0.000 0.435 265 V N 1.539 121.387 119.914 -0.110 0.000 2.261 265 V HA -0.231 3.888 4.120 -0.000 0.000 0.246 265 V C 2.636 178.679 176.094 -0.084 0.000 1.047 265 V CA 2.021 64.248 62.300 -0.123 0.000 1.015 265 V CB -0.774 30.883 31.823 -0.277 0.000 0.642 265 V HN 0.488 nan 8.190 nan 0.000 0.446 266 Q N -0.058 119.680 119.800 -0.102 0.000 2.197 266 Q HA -0.233 4.107 4.340 -0.000 0.000 0.207 266 Q C 1.884 177.856 176.000 -0.047 0.000 0.984 266 Q CA 1.523 57.281 55.803 -0.075 0.000 0.869 266 Q CB 0.031 28.719 28.738 -0.083 0.000 0.906 266 Q HN 0.539 nan 8.270 nan 0.000 0.426 267 K N -0.307 120.074 120.400 -0.032 0.000 2.374 267 K HA 0.017 4.337 4.320 -0.000 0.000 0.196 267 K C 1.677 178.278 176.600 0.002 0.000 1.023 267 K CA 0.040 56.320 56.287 -0.012 0.000 1.103 267 K CB 0.329 32.828 32.500 -0.001 0.000 0.848 267 K HN 0.038 nan 8.250 nan 0.000 0.528 268 R N 1.609 122.109 120.500 -0.000 0.000 2.073 268 R HA -0.080 4.259 4.340 -0.000 0.000 0.234 268 R C 2.148 178.453 176.300 0.008 0.000 1.134 268 R CA 2.005 58.111 56.100 0.009 0.000 0.952 268 R CB -1.037 29.266 30.300 0.005 0.000 0.850 268 R HN 0.253 nan 8.270 nan 0.000 0.433 269 G N -1.289 107.512 108.800 0.002 0.000 2.422 269 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 269 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 269 G C 1.475 176.385 174.900 0.018 0.000 1.146 269 G CA 0.688 45.792 45.100 0.007 0.000 0.769 269 G HN 0.525 nan 8.290 nan 0.000 0.547 270 G N 0.784 109.591 108.800 0.011 0.000 2.408 270 G HA2 0.164 4.124 3.960 -0.000 0.000 0.215 270 G HA3 0.164 4.124 3.960 -0.000 0.000 0.215 270 G C 1.975 176.894 174.900 0.031 0.000 1.156 270 G CA 1.252 46.362 45.100 0.017 0.000 0.793 270 G HN 0.574 nan 8.290 nan 0.000 0.535 271 A N 0.371 123.209 122.820 0.031 0.000 2.015 271 A HA 0.203 4.522 4.320 -0.000 0.000 0.219 271 A C 2.262 179.881 177.584 0.058 0.000 1.163 271 A CA 0.756 52.818 52.037 0.041 0.000 0.646 271 A CB -0.276 18.747 19.000 0.038 0.000 0.806 271 A HN 0.349 nan 8.150 nan 0.000 0.448 272 L N -0.247 121.012 121.223 0.060 0.000 2.478 272 L HA -0.029 4.311 4.340 -0.000 0.000 0.223 272 L C 1.882 178.844 176.870 0.154 0.000 1.140 272 L CA 0.064 54.959 54.840 0.091 0.000 0.842 272 L CB -0.092 41.995 42.059 0.046 0.000 0.953 272 L HN 0.318 nan 8.230 nan 0.000 0.452 273 I N -0.595 120.040 120.570 0.109 0.000 2.406 273 I HA -0.226 3.943 4.170 -0.000 0.000 0.249 273 I C 2.287 178.455 176.117 0.085 0.000 1.122 273 I CA 1.350 62.713 61.300 0.106 0.000 1.431 273 I CB -0.578 37.460 38.000 0.063 0.000 1.087 273 I HN 0.337 nan 8.210 nan 0.000 0.424 274 Q N 0.129 119.971 119.800 0.071 0.000 2.250 274 Q HA -0.057 4.282 4.340 -0.000 0.000 0.200 274 Q C 2.211 178.252 176.000 0.069 0.000 0.941 274 Q CA 0.808 56.642 55.803 0.052 0.000 0.872 274 Q CB 0.359 29.121 28.738 0.039 0.000 0.965 274 Q HN 0.220 nan 8.270 nan 0.000 0.480 275 K N -0.083 120.380 120.400 0.104 0.000 1.965 275 K HA -0.168 4.151 4.320 -0.000 0.000 0.214 275 K C 1.761 178.485 176.600 0.206 0.000 1.042 275 K CA 1.207 57.574 56.287 0.133 0.000 0.950 275 K CB -0.870 31.710 32.500 0.134 0.000 0.733 275 K HN 0.409 nan 8.250 nan 0.000 0.441 276 W N 0.485 121.789 121.300 0.006 0.000 2.335 276 W HA -0.276 4.384 4.660 -0.001 0.000 0.311 276 W C 1.092 177.616 176.519 0.008 0.000 1.213 276 W CA 1.694 59.043 57.345 0.006 0.000 1.274 276 W CB 0.153 29.614 29.460 0.002 0.000 1.148 276 W HN 0.508 nan 8.180 nan 0.000 0.498 277 G N 0.388 109.207 108.800 0.032 0.000 2.339 277 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.209 277 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.209 277 G C 0.348 175.195 174.900 -0.088 0.000 1.015 277 G CA 0.298 45.334 45.100 -0.107 0.000 0.635 277 G HN 0.392 nan 8.290 nan 0.000 0.499 278 R N -0.029 120.428 120.500 -0.073 0.000 3.015 278 R HA 0.668 5.008 4.340 -0.000 0.000 0.258 278 R C 0.278 176.755 176.300 0.295 0.000 1.172 278 R CA 0.303 56.432 56.100 0.048 0.000 1.003 278 R CB 0.487 30.758 30.300 -0.049 0.000 1.326 278 R HN 0.465 nan 8.270 nan 0.000 0.449 279 S N -0.047 115.795 115.700 0.238 0.000 2.554 279 S HA -0.045 4.425 4.470 -0.000 0.000 0.290 279 S C 0.172 174.937 174.600 0.274 0.000 1.309 279 S CA 0.366 58.698 58.200 0.222 0.000 1.047 279 S CB 0.242 63.535 63.200 0.154 0.000 0.828 279 S HN 0.510 nan 8.310 nan 0.000 0.509 280 S N 4.056 119.810 115.700 0.091 0.000 2.945 280 S HA 0.461 4.931 4.470 -0.000 0.000 0.227 280 S C 1.291 175.822 174.600 -0.115 0.000 1.353 280 S CA -0.205 57.942 58.200 -0.089 0.000 1.236 280 S CB 0.131 63.272 63.200 -0.098 0.000 1.069 280 S HN 0.887 nan 8.310 nan 0.000 0.509 281 A N 2.433 125.220 122.820 -0.054 0.000 1.903 281 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 281 A C 2.474 179.885 177.584 -0.289 0.000 1.191 281 A CA 1.943 53.941 52.037 -0.066 0.000 0.638 281 A CB -1.497 17.578 19.000 0.126 0.000 0.823 281 A HN 1.027 nan 8.150 nan 0.000 0.451 282 A N 0.169 122.613 122.820 -0.628 0.000 1.859 282 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 282 A C 2.554 179.938 177.584 -0.333 0.000 1.198 282 A CA 2.955 54.566 52.037 -0.710 0.000 0.629 282 A CB -1.200 17.394 19.000 -0.677 0.000 0.830 282 A HN 1.196 nan 8.150 nan 0.000 0.446 283 S N -1.210 114.324 115.700 -0.276 0.000 2.453 283 S HA -0.131 4.338 4.470 -0.000 0.000 0.231 283 S C 1.879 176.392 174.600 -0.146 0.000 1.005 283 S CA 1.846 59.929 58.200 -0.195 0.000 0.949 283 S CB -1.031 62.059 63.200 -0.183 0.000 0.774 283 S HN 0.778 nan 8.310 nan 0.000 0.510 284 T N 0.439 114.918 114.554 -0.124 0.000 2.985 284 T HA 0.275 4.625 4.350 -0.000 0.000 0.266 284 T C 1.880 176.536 174.700 -0.074 0.000 1.076 284 T CA 0.947 63.000 62.100 -0.079 0.000 1.135 284 T CB -0.580 68.267 68.868 -0.035 0.000 0.890 284 T HN 0.497 nan 8.240 nan 0.000 0.480 285 A N 0.830 123.604 122.820 -0.076 0.000 1.930 285 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 285 A C 2.561 180.095 177.584 -0.082 0.000 1.175 285 A CA 1.450 53.460 52.037 -0.045 0.000 0.627 285 A CB -0.971 18.041 19.000 0.020 0.000 0.815 285 A HN 0.426 nan 8.150 nan 0.000 0.443 286 V N 1.050 120.899 119.914 -0.108 0.000 2.332 286 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 286 V C 3.044 179.054 176.094 -0.139 0.000 1.055 286 V CA 2.460 64.685 62.300 -0.124 0.000 1.038 286 V CB -0.832 30.907 31.823 -0.139 0.000 0.651 286 V HN 0.830 nan 8.190 nan 0.000 0.450 287 S N -0.184 115.438 115.700 -0.130 0.000 2.402 287 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 287 S C 1.920 176.435 174.600 -0.141 0.000 1.021 287 S CA 1.462 59.582 58.200 -0.133 0.000 0.974 287 S CB -0.602 62.529 63.200 -0.116 0.000 0.800 287 S HN 0.549 nan 8.310 nan 0.000 0.484 288 I N 2.151 122.646 120.570 -0.125 0.000 2.315 288 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 288 I C 3.047 179.048 176.117 -0.193 0.000 1.117 288 I CA 1.010 62.231 61.300 -0.131 0.000 1.404 288 I CB -0.606 37.341 38.000 -0.089 0.000 1.071 288 I HN 0.426 nan 8.210 nan 0.000 0.419 289 A N 0.697 123.397 122.820 -0.199 0.000 1.877 289 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 289 A C 1.975 179.378 177.584 -0.301 0.000 1.186 289 A CA 1.963 53.840 52.037 -0.266 0.000 0.620 289 A CB -0.571 18.299 19.000 -0.217 0.000 0.822 289 A HN 0.333 nan 8.150 nan 0.000 0.443 290 D N 0.295 120.549 120.400 -0.244 0.000 2.104 290 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 290 D C 2.257 178.375 176.300 -0.303 0.000 0.994 290 D CA 1.578 55.429 54.000 -0.249 0.000 0.830 290 D CB -0.580 40.102 40.800 -0.196 0.000 0.959 290 D HN 0.421 nan 8.370 nan 0.000 0.452 291 A N 1.058 123.715 122.820 -0.272 0.000 1.892 291 A HA -0.196 4.123 4.320 -0.000 0.000 0.218 291 A C 2.415 179.775 177.584 -0.374 0.000 1.188 291 A CA 1.261 53.123 52.037 -0.292 0.000 0.631 291 A CB -0.805 18.076 19.000 -0.200 0.000 0.822 291 A HN 0.224 nan 8.150 nan 0.000 0.447 292 I N -0.795 119.538 120.570 -0.394 0.000 2.163 292 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 292 I C 2.453 178.242 176.117 -0.546 0.000 1.081 292 I CA 1.620 62.605 61.300 -0.524 0.000 1.353 292 I CB -0.436 37.094 38.000 -0.783 0.000 1.054 292 I HN 0.269 nan 8.210 nan 0.000 0.407 293 K N 0.678 120.761 120.400 -0.528 0.000 2.160 293 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 293 K C 2.234 178.615 176.600 -0.365 0.000 1.047 293 K CA 1.605 57.632 56.287 -0.433 0.000 0.930 293 K CB -0.211 32.078 32.500 -0.352 0.000 0.720 293 K HN 0.201 nan 8.250 nan 0.000 0.450 294 S N 1.113 116.524 115.700 -0.482 0.000 2.442 294 S HA -0.041 4.429 4.470 -0.000 0.000 0.236 294 S C 1.712 175.971 174.600 -0.568 0.000 1.007 294 S CA 0.841 58.620 58.200 -0.702 0.000 0.965 294 S CB -0.029 62.320 63.200 -1.418 0.000 0.773 294 S HN 0.228 nan 8.310 nan 0.000 0.504 295 L N 0.640 121.663 121.223 -0.334 0.000 2.354 295 L HA 0.138 4.478 4.340 -0.000 0.000 0.212 295 L C 1.615 178.535 176.870 0.083 0.000 1.091 295 L CA 0.408 55.239 54.840 -0.014 0.000 0.828 295 L CB -0.019 42.132 42.059 0.153 0.000 0.973 295 L HN 0.275 nan 8.230 nan 0.000 0.461 296 V N -3.728 116.178 119.914 -0.014 0.000 3.376 296 V HA 0.259 4.379 4.120 -0.000 0.000 0.313 296 V C 0.364 176.457 176.094 -0.002 0.000 1.393 296 V CA 0.007 62.333 62.300 0.043 0.000 1.125 296 V CB -0.544 31.304 31.823 0.041 0.000 1.037 296 V HN 0.331 nan 8.190 nan 0.000 0.440 297 T N -2.100 112.436 114.554 -0.030 0.000 2.933 297 T HA 0.649 4.999 4.350 -0.000 0.000 0.305 297 T C -3.337 171.373 174.700 0.017 0.000 1.092 297 T CA -1.991 60.098 62.100 -0.019 0.000 1.008 297 T CB 1.944 70.775 68.868 -0.062 0.000 1.102 297 T HN 0.063 nan 8.240 nan 0.000 0.469 298 P HA 0.224 nan 4.420 nan 0.000 0.268 298 P C -0.124 177.222 177.300 0.076 0.000 1.204 298 P CA -0.059 63.082 63.100 0.069 0.000 0.768 298 P CB 0.162 31.897 31.700 0.058 0.000 0.842 299 T N 5.421 120.052 114.554 0.128 0.000 2.834 299 T HA 0.211 4.560 4.350 -0.000 0.000 0.298 299 T C -2.025 172.734 174.700 0.099 0.000 0.966 299 T CA -0.899 61.291 62.100 0.150 0.000 1.141 299 T CB -0.481 68.539 68.868 0.253 0.000 0.905 299 T HN 0.286 nan 8.240 nan 0.000 0.535 300 P HA 0.057 nan 4.420 nan 0.000 0.265 300 P C 0.151 177.475 177.300 0.041 0.000 1.193 300 P CA -0.160 62.963 63.100 0.039 0.000 0.765 300 P CB 0.318 32.028 31.700 0.017 0.000 0.823 301 E N 1.886 122.109 120.200 0.038 0.000 2.653 301 E HA 0.043 4.392 4.350 -0.000 0.000 0.264 301 E C 1.367 177.978 176.600 0.019 0.000 0.949 301 E CA 1.063 57.486 56.400 0.039 0.000 0.953 301 E CB -0.247 29.473 29.700 0.034 0.000 0.925 301 E HN 0.808 nan 8.360 nan 0.000 0.475 302 G N 2.671 111.492 108.800 0.034 0.000 2.267 302 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 302 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 302 G C 0.246 175.084 174.900 -0.103 0.000 0.998 302 G CA 0.534 45.633 45.100 -0.002 0.000 0.620 302 G HN 0.611 nan 8.290 nan 0.000 0.529 303 D N -0.587 119.757 120.400 -0.094 0.000 2.529 303 D HA 0.707 5.347 4.640 -0.000 0.000 0.273 303 D C 0.374 176.656 176.300 -0.029 0.000 1.197 303 D CA 0.291 54.144 54.000 -0.244 0.000 1.070 303 D CB 0.960 41.672 40.800 -0.147 0.000 1.134 303 D HN 0.638 nan 8.370 nan 0.000 0.590 304 W N -0.580 120.747 121.300 0.045 0.000 2.881 304 W HA 0.547 5.207 4.660 -0.000 0.000 0.380 304 W C -1.985 174.562 176.519 0.047 0.000 1.170 304 W CA -1.447 55.889 57.345 -0.016 0.000 1.171 304 W CB -0.180 29.195 29.460 -0.140 0.000 1.464 304 W HN 0.260 nan 8.180 nan 0.000 0.574 305 F N -0.433 119.722 119.950 0.342 0.000 2.626 305 F HA 0.883 5.409 4.527 -0.000 0.000 0.311 305 F C -0.563 175.259 175.800 0.036 0.000 1.088 305 F CA -1.727 56.367 58.000 0.158 0.000 0.949 305 F CB 1.455 40.480 39.000 0.043 0.000 1.322 305 F HN 0.293 nan 8.300 nan 0.000 0.461 306 S N 0.772 116.559 115.700 0.145 0.000 2.525 306 S HA 0.678 5.147 4.470 -0.000 0.000 0.278 306 S C -0.522 174.089 174.600 0.017 0.000 1.234 306 S CA -0.519 57.644 58.200 -0.062 0.000 1.058 306 S CB 1.390 64.537 63.200 -0.088 0.000 0.983 306 S HN 0.873 nan 8.310 nan 0.000 0.495 307 T N 1.520 116.025 114.554 -0.082 0.000 3.291 307 T HA 0.489 4.839 4.350 -0.000 0.000 0.344 307 T C -0.189 174.474 174.700 -0.062 0.000 1.293 307 T CA -0.555 61.544 62.100 -0.001 0.000 1.108 307 T CB 0.796 69.769 68.868 0.174 0.000 1.231 307 T HN 0.754 nan 8.240 nan 0.000 0.474 308 G N 2.905 111.686 108.800 -0.033 0.000 2.367 308 G HA2 0.531 4.490 3.960 -0.000 0.000 0.280 308 G HA3 0.531 4.490 3.960 -0.000 0.000 0.280 308 G C -0.429 174.469 174.900 -0.004 0.000 1.175 308 G CA -0.039 45.044 45.100 -0.027 0.000 1.001 308 G HN 0.740 nan 8.290 nan 0.000 0.437 309 V N 2.905 122.825 119.914 0.009 0.000 3.102 309 V HA 0.377 4.496 4.120 -0.000 0.000 0.312 309 V C -0.831 175.353 176.094 0.151 0.000 1.135 309 V CA -1.176 61.134 62.300 0.016 0.000 1.022 309 V CB 2.227 33.980 31.823 -0.117 0.000 1.056 309 V HN 0.675 nan 8.190 nan 0.000 0.436 310 Y N 1.688 122.022 120.300 0.056 0.000 2.721 310 Y HA 0.071 4.621 4.550 -0.000 0.000 0.329 310 Y C 1.697 177.643 175.900 0.077 0.000 1.211 310 Y CA 0.923 59.059 58.100 0.059 0.000 1.512 310 Y CB 1.302 39.790 38.460 0.046 0.000 1.249 310 Y HN 0.840 nan 8.280 nan 0.000 0.549 311 T N -0.332 114.029 114.554 -0.322 0.000 3.043 311 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 311 T C 0.733 175.267 174.700 -0.276 0.000 1.094 311 T CA 0.530 62.496 62.100 -0.223 0.000 1.127 311 T CB -0.551 68.198 68.868 -0.198 0.000 0.905 311 T HN 0.594 nan 8.240 nan 0.000 0.490 312 T N 2.431 116.671 114.554 -0.524 0.000 2.738 312 T HA 0.401 4.751 4.350 -0.000 0.000 0.277 312 T C 1.426 176.078 174.700 -0.081 0.000 0.981 312 T CA 0.977 62.918 62.100 -0.265 0.000 1.211 312 T CB -0.280 68.480 68.868 -0.181 0.000 0.932 312 T HN 0.820 nan 8.240 nan 0.000 0.522 313 G N 3.939 112.695 108.800 -0.074 0.000 2.218 313 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 313 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 313 G C 0.131 174.982 174.900 -0.082 0.000 0.994 313 G CA -0.228 44.841 45.100 -0.053 0.000 0.637 313 G HN 0.986 nan 8.290 nan 0.000 0.505 314 N N 1.349 119.994 118.700 -0.091 0.000 2.395 314 N HA 0.432 5.172 4.740 -0.000 0.000 0.246 314 N C -0.819 174.560 175.510 -0.217 0.000 1.246 314 N CA -0.314 52.650 53.050 -0.143 0.000 0.879 314 N CB 1.002 39.478 38.487 -0.018 0.000 1.098 314 N HN 0.172 nan 8.380 nan 0.000 0.444 315 P HA 0.075 nan 4.420 nan 0.000 0.267 315 P C -0.357 176.787 177.300 -0.260 0.000 1.289 315 P CA 0.316 63.214 63.100 -0.337 0.000 0.866 315 P CB 0.039 31.520 31.700 -0.365 0.000 1.309 316 Y N 0.364 120.690 120.300 0.044 0.000 2.529 316 Y HA 0.352 4.901 4.550 -0.000 0.000 0.290 316 Y C 2.021 177.993 175.900 0.120 0.000 1.177 316 Y CA 0.412 58.558 58.100 0.075 0.000 1.305 316 Y CB -0.946 37.588 38.460 0.124 0.000 1.047 316 Y HN 0.083 nan 8.280 nan 0.000 0.522 317 G N 0.541 109.441 108.800 0.168 0.000 2.148 317 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 317 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 317 G C 0.205 175.177 174.900 0.119 0.000 0.981 317 G CA 0.115 45.340 45.100 0.209 0.000 0.670 317 G HN 0.367 nan 8.290 nan 0.000 0.528 318 I N 1.490 122.043 120.570 -0.029 0.000 2.575 318 I HA 0.449 4.619 4.170 -0.000 0.000 0.285 318 I C 1.398 177.382 176.117 -0.222 0.000 1.085 318 I CA -0.156 60.976 61.300 -0.280 0.000 1.403 318 I CB 1.127 38.832 38.000 -0.491 0.000 1.409 318 I HN 0.345 nan 8.210 nan 0.000 0.557 319 A N 6.123 128.795 122.820 -0.247 0.000 2.547 319 A HA 0.086 4.405 4.320 -0.000 0.000 0.233 319 A C 0.231 177.710 177.584 -0.174 0.000 1.067 319 A CA 0.090 52.029 52.037 -0.164 0.000 0.763 319 A CB 0.071 18.990 19.000 -0.135 0.000 1.007 319 A HN 0.788 nan 8.150 nan 0.000 0.506 320 E N -0.552 119.559 120.200 -0.148 0.000 2.292 320 E HA 0.334 4.684 4.350 -0.000 0.000 0.258 320 E C -0.536 175.934 176.600 -0.216 0.000 1.115 320 E CA -0.213 56.066 56.400 -0.202 0.000 0.929 320 E CB 0.527 30.133 29.700 -0.157 0.000 1.161 320 E HN 0.729 nan 8.360 nan 0.000 0.453 321 D N 0.014 120.189 120.400 -0.375 0.000 2.800 321 D HA -0.167 4.473 4.640 -0.000 0.000 0.232 321 D C -1.039 175.184 176.300 -0.129 0.000 1.137 321 D CA 0.986 54.836 54.000 -0.250 0.000 0.718 321 D CB -1.270 39.518 40.800 -0.020 0.000 1.084 321 D HN 0.444 nan 8.370 nan 0.000 0.432 322 I N -5.307 115.117 120.570 -0.244 0.000 3.279 322 I HA 0.692 4.862 4.170 -0.000 0.000 0.315 322 I C -0.794 175.335 176.117 0.019 0.000 1.225 322 I CA -1.274 60.010 61.300 -0.026 0.000 0.947 322 I CB 2.022 40.031 38.000 0.015 0.000 1.293 322 I HN -0.236 nan 8.210 nan 0.000 0.468 323 V N 2.394 122.376 119.914 0.113 0.000 2.357 323 V HA 0.495 4.615 4.120 -0.000 0.000 0.284 323 V C -1.164 175.031 176.094 0.169 0.000 1.018 323 V CA -0.230 62.154 62.300 0.140 0.000 0.841 323 V CB 1.082 32.974 31.823 0.114 0.000 0.991 323 V HN 0.543 nan 8.190 nan 0.000 0.437 324 F N 3.373 123.319 119.950 -0.007 0.000 2.539 324 F HA 0.531 5.058 4.527 -0.000 0.000 0.318 324 F C 0.416 176.205 175.800 -0.018 0.000 1.135 324 F CA -0.295 57.703 58.000 -0.003 0.000 0.915 324 F CB 2.149 41.153 39.000 0.007 0.000 1.176 324 F HN 0.419 nan 8.300 nan 0.000 0.440 325 S N 6.525 122.148 115.700 -0.130 0.000 2.537 325 S HA 0.577 5.046 4.470 -0.000 0.000 0.286 325 S C -0.351 174.203 174.600 -0.078 0.000 1.299 325 S CA 0.092 58.216 58.200 -0.127 0.000 1.067 325 S CB -0.050 63.020 63.200 -0.216 0.000 0.864 325 S HN 0.665 nan 8.310 nan 0.000 0.494 326 M N 5.056 124.495 119.600 -0.268 0.000 2.683 326 M HA 0.449 4.929 4.480 -0.000 0.000 0.274 326 M C -2.649 173.170 176.300 -0.801 0.000 1.272 326 M CA -2.092 52.828 55.300 -0.633 0.000 0.833 326 M CB 2.600 35.055 32.600 -0.241 0.000 1.708 326 M HN 0.382 nan 8.290 nan 0.000 0.463 327 P HA 0.266 nan 4.420 nan 0.000 0.276 327 P C -1.283 175.603 177.300 -0.690 0.000 1.243 327 P CA -0.185 62.242 63.100 -1.122 0.000 0.768 327 P CB 0.464 31.087 31.700 -1.794 0.000 0.856 328 C N 3.951 122.845 119.300 -0.677 0.000 2.994 328 C HA 0.753 5.213 4.460 -0.000 0.000 0.304 328 C C 0.205 174.779 174.990 -0.693 0.000 1.273 328 C CA -0.549 58.101 59.018 -0.614 0.000 1.537 328 C CB 2.481 29.751 27.740 -0.783 0.000 2.001 328 C HN 0.702 nan 8.230 nan 0.000 0.471 329 R N 0.451 120.815 120.500 -0.226 0.000 2.836 329 R HA 0.905 5.245 4.340 -0.000 0.000 0.269 329 R C -1.103 175.389 176.300 0.319 0.000 1.010 329 R CA -0.297 55.870 56.100 0.112 0.000 0.930 329 R CB 1.732 32.142 30.300 0.184 0.000 1.218 329 R HN 0.633 nan 8.270 nan 0.000 0.473 330 S N -0.643 115.316 115.700 0.432 0.000 2.546 330 S HA 0.317 4.787 4.470 -0.000 0.000 0.274 330 S C -0.162 174.568 174.600 0.216 0.000 1.121 330 S CA -0.911 57.499 58.200 0.351 0.000 0.887 330 S CB 1.903 65.364 63.200 0.435 0.000 1.094 330 S HN 0.759 nan 8.310 nan 0.000 0.474 331 K N 1.717 122.215 120.400 0.163 0.000 2.366 331 K HA 0.193 4.513 4.320 -0.000 0.000 0.198 331 K C 1.185 177.846 176.600 0.102 0.000 1.044 331 K CA 0.722 57.077 56.287 0.113 0.000 0.973 331 K CB -0.061 32.492 32.500 0.087 0.000 0.767 331 K HN 1.035 nan 8.250 nan 0.000 0.475 332 G N 2.776 111.647 108.800 0.120 0.000 2.144 332 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 332 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 332 G C 0.057 175.022 174.900 0.108 0.000 0.988 332 G CA 0.328 45.486 45.100 0.097 0.000 0.659 332 G HN 0.461 nan 8.290 nan 0.000 0.522 333 D N -0.284 120.184 120.400 0.113 0.000 2.336 333 D HA 0.423 5.063 4.640 -0.000 0.000 0.228 333 D C 1.798 178.172 176.300 0.124 0.000 1.120 333 D CA 0.389 54.450 54.000 0.102 0.000 0.839 333 D CB -0.335 40.507 40.800 0.070 0.000 0.932 333 D HN 1.504 nan 8.370 nan 0.000 0.509 334 G N -0.374 108.535 108.800 0.180 0.000 2.199 334 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 334 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 334 G C 0.009 175.014 174.900 0.176 0.000 0.982 334 G CA 0.299 45.530 45.100 0.218 0.000 0.632 334 G HN 0.583 nan 8.290 nan 0.000 0.529 335 D N -1.068 119.432 120.400 0.166 0.000 2.616 335 D HA 0.773 5.413 4.640 -0.000 0.000 0.260 335 D C 0.024 176.501 176.300 0.296 0.000 1.158 335 D CA -0.031 54.066 54.000 0.162 0.000 1.085 335 D CB 1.057 41.851 40.800 -0.010 0.000 1.222 335 D HN 0.631 nan 8.370 nan 0.000 0.626 336 Y N -2.586 117.819 120.300 0.175 0.000 2.764 336 Y HA 0.704 5.253 4.550 -0.000 0.000 0.331 336 Y C -1.672 174.290 175.900 0.102 0.000 1.280 336 Y CA -0.948 57.264 58.100 0.187 0.000 1.065 336 Y CB 1.004 39.636 38.460 0.286 0.000 1.319 336 Y HN 0.094 nan 8.280 nan 0.000 0.453 337 E N 1.382 121.742 120.200 0.266 0.000 2.356 337 E HA 0.407 4.757 4.350 -0.000 0.000 0.275 337 E C -1.368 175.348 176.600 0.194 0.000 0.904 337 E CA -0.819 55.663 56.400 0.138 0.000 0.757 337 E CB 3.005 32.740 29.700 0.059 0.000 1.232 337 E HN 0.771 nan 8.360 nan 0.000 0.442 338 L N 1.224 122.531 121.223 0.139 0.000 2.416 338 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 338 L C 0.669 177.564 176.870 0.042 0.000 1.161 338 L CA -0.482 54.411 54.840 0.087 0.000 0.845 338 L CB 0.380 42.490 42.059 0.085 0.000 1.119 338 L HN 0.508 nan 8.230 nan 0.000 0.464 339 A N 1.905 124.719 122.820 -0.010 0.000 2.409 339 A HA 0.353 4.673 4.320 -0.000 0.000 0.267 339 A C 1.075 178.700 177.584 0.069 0.000 1.127 339 A CA -0.054 51.984 52.037 0.001 0.000 0.795 339 A CB 0.302 19.216 19.000 -0.144 0.000 1.061 339 A HN 0.901 nan 8.150 nan 0.000 0.502 340 T N -0.572 114.033 114.554 0.085 0.000 3.031 340 T HA -0.031 4.318 4.350 -0.000 0.000 0.254 340 T C 0.583 175.364 174.700 0.136 0.000 1.060 340 T CA 0.710 62.862 62.100 0.086 0.000 1.135 340 T CB -0.308 68.582 68.868 0.037 0.000 0.896 340 T HN 0.693 nan 8.240 nan 0.000 0.472 341 D N 2.737 123.240 120.400 0.172 0.000 2.911 341 D HA 0.125 4.764 4.640 -0.000 0.000 0.233 341 D C -0.221 176.245 176.300 0.276 0.000 1.134 341 D CA -0.135 53.993 54.000 0.214 0.000 1.011 341 D CB -0.533 40.411 40.800 0.240 0.000 1.174 341 D HN 0.246 nan 8.370 nan 0.000 0.440 342 V N 0.092 120.133 119.914 0.212 0.000 2.581 342 V HA 0.367 4.487 4.120 -0.000 0.000 0.303 342 V C 0.258 176.473 176.094 0.202 0.000 1.041 342 V CA -0.923 61.504 62.300 0.213 0.000 0.907 342 V CB 1.817 33.734 31.823 0.156 0.000 0.994 342 V HN 0.320 nan 8.190 nan 0.000 0.442 343 S N 3.583 119.400 115.700 0.196 0.000 2.549 343 S HA 0.591 5.061 4.470 -0.000 0.000 0.297 343 S C -0.697 173.961 174.600 0.096 0.000 1.115 343 S CA -0.599 57.681 58.200 0.133 0.000 1.059 343 S CB 1.131 64.409 63.200 0.129 0.000 1.046 343 S HN 0.769 nan 8.310 nan 0.000 0.506 344 N N 2.300 121.027 118.700 0.045 0.000 2.310 344 N HA 0.397 5.136 4.740 -0.000 0.000 0.292 344 N C -2.034 173.472 175.510 -0.006 0.000 1.049 344 N CA -0.469 52.579 53.050 -0.003 0.000 0.849 344 N CB 1.967 40.440 38.487 -0.022 0.000 1.532 344 N HN 0.852 nan 8.380 nan 0.000 0.479 345 D N 0.094 120.505 120.400 0.019 0.000 2.450 345 D HA 0.223 4.863 4.640 -0.000 0.000 0.238 345 D C 0.508 176.862 176.300 0.090 0.000 1.020 345 D CA -0.459 53.566 54.000 0.042 0.000 1.010 345 D CB 0.858 41.704 40.800 0.077 0.000 1.342 345 D HN 0.370 nan 8.370 nan 0.000 0.530 346 D N -0.698 119.758 120.400 0.093 0.000 2.158 346 D HA -0.211 4.428 4.640 -0.000 0.000 0.197 346 D C 1.431 177.832 176.300 0.169 0.000 0.995 346 D CA 1.101 55.186 54.000 0.143 0.000 0.846 346 D CB -0.211 40.651 40.800 0.104 0.000 0.941 346 D HN 0.368 nan 8.370 nan 0.000 0.456 347 F N -0.003 119.977 119.950 0.049 0.000 2.216 347 F HA -0.075 4.452 4.527 -0.000 0.000 0.300 347 F C 1.768 177.552 175.800 -0.027 0.000 1.085 347 F CA 0.779 58.799 58.000 0.033 0.000 1.326 347 F CB -0.092 38.945 39.000 0.063 0.000 1.027 347 F HN 0.066 nan 8.300 nan 0.000 0.497 348 L N -0.119 121.148 121.223 0.074 0.000 2.102 348 L HA -0.090 4.250 4.340 -0.000 0.000 0.202 348 L C 2.289 179.058 176.870 -0.168 0.000 1.076 348 L CA 1.608 56.381 54.840 -0.112 0.000 0.761 348 L CB -1.312 40.657 42.059 -0.150 0.000 0.921 348 L HN 0.470 nan 8.230 nan 0.000 0.444 349 W N 0.794 121.946 121.300 -0.248 0.000 2.318 349 W HA -0.241 4.418 4.660 -0.000 0.000 0.313 349 W C 2.001 178.396 176.519 -0.207 0.000 1.221 349 W CA 1.903 59.106 57.345 -0.237 0.000 1.266 349 W CB 0.057 29.420 29.460 -0.162 0.000 1.150 349 W HN 0.247 nan 8.180 nan 0.000 0.496 350 E N 0.332 120.447 120.200 -0.140 0.000 2.077 350 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 350 E C 2.086 178.499 176.600 -0.312 0.000 0.989 350 E CA 1.419 57.673 56.400 -0.244 0.000 0.800 350 E CB -0.586 29.017 29.700 -0.161 0.000 0.746 350 E HN 0.413 nan 8.360 nan 0.000 0.452 351 R N 0.196 120.497 120.500 -0.333 0.000 2.092 351 R HA 0.028 4.368 4.340 -0.000 0.000 0.231 351 R C 2.538 178.702 176.300 -0.227 0.000 1.119 351 R CA 0.750 56.677 56.100 -0.288 0.000 0.970 351 R CB -0.185 29.928 30.300 -0.313 0.000 0.864 351 R HN 0.169 nan 8.270 nan 0.000 0.440 352 I N 0.759 121.159 120.570 -0.283 0.000 2.252 352 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 352 I C 1.792 177.779 176.117 -0.217 0.000 1.102 352 I CA 1.135 62.325 61.300 -0.184 0.000 1.385 352 I CB -0.123 37.631 38.000 -0.410 0.000 1.064 352 I HN 0.052 nan 8.210 nan 0.000 0.414 353 K N 0.893 121.003 120.400 -0.484 0.000 2.155 353 K HA -0.160 4.160 4.320 -0.000 0.000 0.203 353 K C 1.916 178.380 176.600 -0.225 0.000 1.052 353 K CA 1.002 57.018 56.287 -0.453 0.000 0.948 353 K CB -0.365 31.769 32.500 -0.609 0.000 0.728 353 K HN 0.305 nan 8.250 nan 0.000 0.448 354 K N 0.736 121.021 120.400 -0.192 0.000 2.057 354 K HA -0.062 4.257 4.320 -0.000 0.000 0.206 354 K C 2.320 178.876 176.600 -0.074 0.000 1.050 354 K CA 1.462 57.674 56.287 -0.125 0.000 0.935 354 K CB -0.094 32.327 32.500 -0.131 0.000 0.715 354 K HN -0.072 nan 8.250 nan 0.000 0.439 355 S N 0.541 116.211 115.700 -0.050 0.000 2.383 355 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 355 S C 1.833 176.486 174.600 0.089 0.000 1.026 355 S CA 1.294 59.477 58.200 -0.029 0.000 0.981 355 S CB -0.251 62.883 63.200 -0.110 0.000 0.818 355 S HN 0.457 nan 8.310 nan 0.000 0.472 356 E N 0.595 120.928 120.200 0.220 0.000 2.085 356 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 356 E C 2.092 178.721 176.600 0.048 0.000 0.994 356 E CA 1.142 57.666 56.400 0.207 0.000 0.801 356 E CB -0.334 29.338 29.700 -0.045 0.000 0.743 356 E HN 0.552 nan 8.360 nan 0.000 0.453 357 A N 1.350 124.161 122.820 -0.015 0.000 1.902 357 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 357 A C 2.077 179.655 177.584 -0.010 0.000 1.181 357 A CA 1.777 53.799 52.037 -0.025 0.000 0.623 357 A CB -0.670 18.302 19.000 -0.045 0.000 0.818 357 A HN 0.490 nan 8.150 nan 0.000 0.443 358 E N -0.215 119.975 120.200 -0.016 0.000 2.118 358 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 358 E C 1.869 178.463 176.600 -0.011 0.000 0.992 358 E CA 1.103 57.489 56.400 -0.022 0.000 0.804 358 E CB -0.194 29.481 29.700 -0.041 0.000 0.741 358 E HN 0.650 nan 8.360 nan 0.000 0.458 359 L N 0.210 121.440 121.223 0.011 0.000 2.109 359 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 359 L C 2.349 179.233 176.870 0.025 0.000 1.086 359 L CA 0.164 55.019 54.840 0.025 0.000 0.760 359 L CB -0.196 41.909 42.059 0.076 0.000 0.910 359 L HN 0.248 nan 8.230 nan 0.000 0.437 360 L N -0.180 121.057 121.223 0.022 0.000 2.141 360 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 360 L C 2.695 179.580 176.870 0.024 0.000 1.094 360 L CA 1.854 56.705 54.840 0.018 0.000 0.763 360 L CB -1.376 40.687 42.059 0.007 0.000 0.908 360 L HN 0.157 nan 8.230 nan 0.000 0.437 361 A N -1.063 121.767 122.820 0.017 0.000 1.897 361 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 361 A C 2.229 179.814 177.584 0.002 0.000 1.181 361 A CA 1.194 53.242 52.037 0.017 0.000 0.620 361 A CB -0.335 18.665 19.000 -0.000 0.000 0.821 361 A HN 0.440 nan 8.150 nan 0.000 0.443 362 E N -0.334 119.863 120.200 -0.006 0.000 2.077 362 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 362 E C 2.091 178.692 176.600 0.003 0.000 0.989 362 E CA 1.373 57.766 56.400 -0.012 0.000 0.800 362 E CB -0.129 29.560 29.700 -0.019 0.000 0.746 362 E HN 0.660 nan 8.360 nan 0.000 0.452 363 K N 1.498 121.906 120.400 0.014 0.000 2.032 363 K HA -0.212 4.107 4.320 -0.000 0.000 0.209 363 K C 1.921 178.542 176.600 0.035 0.000 1.048 363 K CA 1.549 57.850 56.287 0.024 0.000 0.927 363 K CB 0.054 32.571 32.500 0.028 0.000 0.712 363 K HN -0.082 nan 8.250 nan 0.000 0.441 364 K N 0.151 120.579 120.400 0.047 0.000 2.097 364 K HA -0.140 4.179 4.320 -0.000 0.000 0.206 364 K C 2.265 178.906 176.600 0.068 0.000 1.049 364 K CA 1.220 57.552 56.287 0.076 0.000 0.933 364 K CB -0.311 32.264 32.500 0.124 0.000 0.717 364 K HN 0.293 nan 8.250 nan 0.000 0.442 365 c N 1.102 119.719 118.600 0.029 0.000 2.422 365 c HA -0.014 4.556 4.570 -0.000 0.000 0.286 365 c C 1.879 175.984 174.090 0.024 0.000 1.412 365 c CA 0.757 57.086 56.329 -0.001 0.000 1.786 365 c CB -0.693 41.793 42.510 -0.039 0.000 1.835 365 c HN 0.352 nan 8.230 nan 0.000 0.533 366 V N -1.333 118.603 119.914 0.038 0.000 3.085 366 V HA 0.556 4.676 4.120 -0.000 0.000 0.345 366 V C 1.839 177.972 176.094 0.065 0.000 1.397 366 V CA 0.587 62.919 62.300 0.052 0.000 1.165 366 V CB -1.001 30.842 31.823 0.033 0.000 1.153 366 V HN 0.281 nan 8.190 nan 0.000 0.495 367 A N 0.767 123.633 122.820 0.076 0.000 1.958 367 A HA -0.318 4.001 4.320 -0.000 0.000 0.221 367 A C 2.037 179.678 177.584 0.096 0.000 1.178 367 A CA 2.712 54.795 52.037 0.077 0.000 0.642 367 A CB -0.954 18.098 19.000 0.087 0.000 0.816 367 A HN 0.857 nan 8.150 nan 0.000 0.453 368 H N 0.015 119.102 119.070 0.028 0.000 2.353 368 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 368 H C 1.664 177.008 175.328 0.028 0.000 1.090 368 H CA 1.992 58.056 56.048 0.027 0.000 1.327 368 H CB -0.276 29.502 29.762 0.026 0.000 1.383 368 H HN 0.403 nan 8.280 nan 0.000 0.508 369 L N -0.273 120.905 121.223 -0.075 0.000 2.156 369 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 369 L C 2.388 179.206 176.870 -0.086 0.000 1.095 369 L CA 1.528 56.298 54.840 -0.117 0.000 0.770 369 L CB -0.618 41.439 42.059 -0.003 0.000 0.914 369 L HN 0.466 nan 8.230 nan 0.000 0.439 370 T N -3.737 110.791 114.554 -0.045 0.000 3.067 370 T HA 0.168 4.518 4.350 -0.000 0.000 0.261 370 T C 1.507 176.183 174.700 -0.041 0.000 1.110 370 T CA 0.547 62.626 62.100 -0.035 0.000 1.113 370 T CB 0.340 69.203 68.868 -0.008 0.000 0.917 370 T HN 0.456 nan 8.240 nan 0.000 0.499 371 G N 1.251 110.021 108.800 -0.051 0.000 2.136 371 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.242 371 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.242 371 G C 0.487 175.388 174.900 0.001 0.000 0.989 371 G CA 0.445 45.523 45.100 -0.036 0.000 0.682 371 G HN 0.517 nan 8.290 nan 0.000 0.522 372 E N -0.379 119.830 120.200 0.015 0.000 2.204 372 E HA 0.393 4.742 4.350 -0.000 0.000 0.194 372 E C 1.987 178.609 176.600 0.037 0.000 0.989 372 E CA 2.458 58.874 56.400 0.026 0.000 0.824 372 E CB -0.107 29.613 29.700 0.032 0.000 0.756 372 E HN 1.522 nan 8.360 nan 0.000 0.477 373 G N -0.642 108.190 108.800 0.054 0.000 2.011 373 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.054 373 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.054 373 G C -0.925 174.029 174.900 0.091 0.000 0.853 373 G CA -0.269 44.868 45.100 0.062 0.000 1.135 373 G HN 0.212 nan 8.290 nan 0.000 0.372 374 N N 0.639 119.385 118.700 0.076 0.000 2.321 374 N HA 0.626 5.366 4.740 -0.000 0.000 0.299 374 N C 0.081 175.648 175.510 0.095 0.000 1.048 374 N CA -0.058 53.041 53.050 0.081 0.000 0.836 374 N CB 1.913 40.434 38.487 0.056 0.000 1.269 374 N HN 0.861 nan 8.380 nan 0.000 0.486 375 A N 2.187 125.066 122.820 0.099 0.000 2.371 375 A HA 0.255 4.574 4.320 -0.000 0.000 0.257 375 A C -1.343 176.332 177.584 0.152 0.000 1.089 375 A CA 0.240 52.341 52.037 0.107 0.000 0.794 375 A CB 0.123 19.171 19.000 0.079 0.000 1.029 375 A HN 0.724 nan 8.150 nan 0.000 0.488 376 Y N 1.151 121.459 120.300 0.014 0.000 2.330 376 Y HA 0.473 5.022 4.550 -0.000 0.000 0.324 376 Y C -1.063 174.840 175.900 0.005 0.000 1.093 376 Y CA -1.123 56.981 58.100 0.006 0.000 1.103 376 Y CB 1.132 39.594 38.460 0.004 0.000 1.183 376 Y HN 0.717 nan 8.280 nan 0.000 0.433 377 c N 4.669 122.916 118.600 -0.588 0.000 2.322 377 c HA 0.594 5.164 4.570 -0.000 0.000 0.324 377 c C -0.468 173.266 174.090 -0.594 0.000 1.284 377 c CA -0.444 55.609 56.329 -0.459 0.000 1.606 377 c CB 0.567 42.943 42.510 -0.223 0.000 2.251 377 c HN 0.841 nan 8.230 nan 0.000 0.502 378 D N 1.957 122.118 120.400 -0.398 0.000 3.118 378 D HA 0.310 4.950 4.640 -0.000 0.000 0.259 378 D C -0.559 175.669 176.300 -0.120 0.000 1.292 378 D CA -0.092 53.757 54.000 -0.251 0.000 0.784 378 D CB 0.572 41.243 40.800 -0.215 0.000 1.413 378 D HN 0.433 nan 8.370 nan 0.000 0.583 379 V N 0.050 119.902 119.914 -0.104 0.000 2.769 379 V HA 0.848 4.968 4.120 -0.000 0.000 0.312 379 V C -2.162 173.898 176.094 -0.057 0.000 1.058 379 V CA -1.760 60.499 62.300 -0.068 0.000 0.952 379 V CB 1.294 33.079 31.823 -0.064 0.000 1.019 379 V HN 0.179 nan 8.190 nan 0.000 0.445 380 P HA 0.277 nan 4.420 nan 0.000 0.269 380 P C -0.069 177.204 177.300 -0.044 0.000 1.215 380 P CA 0.009 63.083 63.100 -0.044 0.000 0.780 380 P CB 1.270 32.944 31.700 -0.043 0.000 0.898 381 E N 0.262 120.438 120.200 -0.040 0.000 2.127 381 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 381 E C 0.006 176.583 176.600 -0.038 0.000 0.964 381 E CA 1.060 57.437 56.400 -0.037 0.000 0.832 381 E CB -0.006 29.675 29.700 -0.032 0.000 0.790 381 E HN 0.509 nan 8.360 nan 0.000 0.465 382 D N 0.859 121.236 120.400 -0.038 0.000 2.564 382 D HA 0.071 4.711 4.640 -0.000 0.000 0.226 382 D C 0.387 176.657 176.300 -0.049 0.000 1.149 382 D CA 0.158 54.134 54.000 -0.040 0.000 0.994 382 D CB 0.995 41.776 40.800 -0.033 0.000 1.029 382 D HN 0.001 nan 8.370 nan 0.000 0.517 383 T N 0.415 114.934 114.554 -0.058 0.000 2.986 383 T HA 0.101 4.451 4.350 -0.000 0.000 0.264 383 T C 0.639 175.285 174.700 -0.090 0.000 0.964 383 T CA -0.301 61.757 62.100 -0.071 0.000 0.895 383 T CB 0.204 69.030 68.868 -0.070 0.000 1.163 383 T HN 0.141 nan 8.240 nan 0.000 0.517 384 M N 2.999 122.549 119.600 -0.085 0.000 2.307 384 M HA 0.343 4.823 4.480 -0.000 0.000 0.346 384 M C -0.626 175.604 176.300 -0.115 0.000 1.552 384 M CA -0.027 55.210 55.300 -0.105 0.000 1.116 384 M CB 0.158 32.711 32.600 -0.078 0.000 1.889 384 M HN 0.161 nan 8.290 nan 0.000 0.460 385 L N 8.950 130.071 121.223 -0.171 0.000 2.513 385 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 385 L C -1.423 175.381 176.870 -0.110 0.000 1.187 385 L CA -1.358 53.388 54.840 -0.157 0.000 0.895 385 L CB -0.299 41.615 42.059 -0.241 0.000 1.147 385 L HN 0.652 nan 8.230 nan 0.000 0.483 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.077 63.100 -0.039 0.000 0.800 386 P CB 0.000 31.684 31.700 -0.026 0.000 0.726