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_D DATA FIRST_RESID 21 DATA SEQUENCE RKDcFGVFcT TYDXXXXXXX XXWKKLVNIA 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 E 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 0.000 176.330 176.300 0.051 0.000 0.893 21 R CA 0.000 56.123 56.100 0.039 0.000 0.921 21 R CB 0.000 30.328 30.300 0.047 0.000 0.687 22 K N -0.177 120.255 120.400 0.053 0.000 2.314 22 K HA -0.008 4.312 4.320 -0.000 0.000 0.198 22 K C 0.617 177.267 176.600 0.084 0.000 1.045 22 K CA 0.945 57.272 56.287 0.067 0.000 0.988 22 K CB 0.293 32.824 32.500 0.052 0.000 0.783 22 K HN 0.489 nan 8.250 nan 0.000 0.484 23 D N 1.773 122.218 120.400 0.075 0.000 2.363 23 D HA -0.027 4.613 4.640 -0.000 0.000 0.226 23 D C -0.018 176.341 176.300 0.100 0.000 1.020 23 D CA 0.331 54.378 54.000 0.078 0.000 0.892 23 D CB 0.191 41.030 40.800 0.065 0.000 0.900 23 D HN 0.395 nan 8.370 nan 0.000 0.531 24 c N -1.937 116.736 118.600 0.122 0.000 3.171 24 c HA 0.780 5.350 4.570 -0.000 0.000 0.308 24 c C -0.798 173.426 174.090 0.223 0.000 1.334 24 c CA -1.377 55.051 56.329 0.166 0.000 1.473 24 c CB 1.022 43.621 42.510 0.149 0.000 1.866 24 c HN 0.058 nan 8.230 nan 0.000 0.465 25 F N 1.380 121.416 119.950 0.143 0.000 2.532 25 F HA 0.660 5.187 4.527 -0.000 0.000 0.321 25 F C 1.000 176.940 175.800 0.232 0.000 1.089 25 F CA 1.596 59.693 58.000 0.161 0.000 0.926 25 F CB 1.760 40.837 39.000 0.127 0.000 1.168 25 F HN 1.534 nan 8.300 nan 0.000 0.459 26 G N 3.428 111.757 108.800 -0.785 0.000 2.660 26 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.338 26 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.338 26 G C 1.087 175.906 174.900 -0.135 0.000 1.336 26 G CA 1.443 46.273 45.100 -0.449 0.000 0.990 26 G HN 1.683 nan 8.290 nan 0.000 0.537 27 V N -2.508 117.306 119.914 -0.166 0.000 2.867 27 V HA 0.063 4.183 4.120 -0.000 0.000 0.260 27 V C 2.429 178.371 176.094 -0.255 0.000 1.099 27 V CA 2.729 64.883 62.300 -0.245 0.000 1.122 27 V CB -0.848 30.756 31.823 -0.366 0.000 0.708 27 V HN 0.560 nan 8.190 nan 0.000 0.490 28 F N -0.443 119.550 119.950 0.072 0.000 2.771 28 F HA 0.121 4.648 4.527 -0.000 0.000 0.299 28 F C 2.323 178.165 175.800 0.069 0.000 1.177 28 F CA 0.841 58.890 58.000 0.082 0.000 1.450 28 F CB -1.008 38.063 39.000 0.118 0.000 1.114 28 F HN 0.230 nan 8.300 nan 0.000 0.587 29 c N -0.212 118.478 118.600 0.150 0.000 2.481 29 c HA -0.078 4.492 4.570 -0.000 0.000 0.275 29 c C 2.783 176.934 174.090 0.103 0.000 1.419 29 c CA 1.444 57.841 56.329 0.114 0.000 1.773 29 c CB -1.502 41.042 42.510 0.056 0.000 1.862 29 c HN 0.596 nan 8.230 nan 0.000 0.530 30 T N -1.119 113.482 114.554 0.079 0.000 3.067 30 T HA -0.015 4.335 4.350 -0.000 0.000 0.261 30 T C 0.840 175.628 174.700 0.146 0.000 1.110 30 T CA 1.138 63.293 62.100 0.092 0.000 1.113 30 T CB -0.516 68.373 68.868 0.034 0.000 0.917 30 T HN 0.603 nan 8.240 nan 0.000 0.499 31 T N 0.309 114.939 114.554 0.127 0.000 2.788 31 T HA 0.561 4.911 4.350 -0.000 0.000 0.280 31 T C -0.525 174.302 174.700 0.212 0.000 0.984 31 T CA -0.702 61.444 62.100 0.076 0.000 0.972 31 T CB 0.717 69.629 68.868 0.075 0.000 1.039 31 T HN 0.717 nan 8.240 nan 0.000 0.530 32 Y N -1.846 118.501 120.300 0.077 0.000 2.732 32 Y HA 0.615 5.165 4.550 -0.000 0.000 0.342 32 Y C -1.627 174.317 175.900 0.074 0.000 1.203 32 Y CA -1.394 56.746 58.100 0.066 0.000 1.092 32 Y CB 0.538 39.027 38.460 0.048 0.000 1.345 32 Y HN 0.941 nan 8.280 nan 0.000 0.458 44 K N 1.721 122.208 120.400 0.144 0.000 2.117 44 K HA 0.472 4.792 4.320 -0.000 0.000 0.240 44 K C 0.441 177.081 176.600 0.067 0.000 1.031 44 K CA -0.887 55.449 56.287 0.081 0.000 0.909 44 K CB 0.745 33.263 32.500 0.029 0.000 1.097 44 K HN 0.360 nan 8.250 nan 0.000 0.492 45 K N 0.536 120.965 120.400 0.049 0.000 2.319 45 K HA 0.072 4.392 4.320 -0.000 0.000 0.265 45 K C -0.322 176.273 176.600 -0.008 0.000 1.000 45 K CA -0.629 55.682 56.287 0.040 0.000 0.943 45 K CB 0.268 32.789 32.500 0.036 0.000 0.950 45 K HN 0.224 nan 8.250 nan 0.000 0.485 46 L N 3.119 124.337 121.223 -0.007 0.000 2.578 46 L HA -0.031 4.309 4.340 -0.000 0.000 0.279 46 L C -0.598 176.220 176.870 -0.086 0.000 1.227 46 L CA 0.490 55.295 54.840 -0.059 0.000 0.900 46 L CB 0.560 42.606 42.059 -0.021 0.000 1.144 46 L HN 0.558 nan 8.230 nan 0.000 0.496 47 V N 2.185 121.998 119.914 -0.169 0.000 2.435 47 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 47 V C -0.062 175.928 176.094 -0.173 0.000 1.030 47 V CA -0.931 61.264 62.300 -0.176 0.000 0.881 47 V CB 1.384 33.006 31.823 -0.334 0.000 0.983 47 V HN 0.825 nan 8.190 nan 0.000 0.445 48 N N 4.489 123.146 118.700 -0.072 0.000 2.434 48 N HA 0.703 5.443 4.740 -0.000 0.000 0.272 48 N C -0.939 174.571 175.510 0.000 0.000 1.040 48 N CA -0.407 52.614 53.050 -0.047 0.000 0.956 48 N CB 1.694 40.174 38.487 -0.012 0.000 1.108 48 N HN 0.734 nan 8.380 nan 0.000 0.481 49 I N 1.652 122.202 120.570 -0.033 0.000 2.418 49 I HA 0.485 4.655 4.170 -0.000 0.000 0.287 49 I C -0.293 175.842 176.117 0.030 0.000 1.008 49 I CA -0.853 60.460 61.300 0.022 0.000 1.104 49 I CB 1.704 39.669 38.000 -0.059 0.000 1.264 49 I HN 0.476 nan 8.210 nan 0.000 0.438 50 A N 6.258 129.122 122.820 0.072 0.000 2.306 50 A HA 0.856 5.176 4.320 -0.000 0.000 0.314 50 A C -0.621 177.022 177.584 0.098 0.000 1.164 50 A CA -0.472 51.635 52.037 0.117 0.000 0.822 50 A CB 1.163 20.288 19.000 0.208 0.000 1.130 50 A HN 0.471 nan 8.150 nan 0.000 0.496 51 V N 2.554 122.530 119.914 0.102 0.000 2.488 51 V HA 0.417 4.537 4.120 -0.000 0.000 0.293 51 V C 0.277 176.426 176.094 0.093 0.000 1.027 51 V CA -0.360 61.985 62.300 0.075 0.000 0.862 51 V CB 1.368 33.202 31.823 0.017 0.000 1.008 51 V HN 1.123 nan 8.190 nan 0.000 0.428 52 S N 2.756 118.525 115.700 0.115 0.000 2.652 52 S HA 0.682 5.152 4.470 -0.000 0.000 0.270 52 S C 1.160 175.798 174.600 0.063 0.000 1.243 52 S CA 0.250 58.505 58.200 0.091 0.000 0.999 52 S CB 1.465 64.722 63.200 0.094 0.000 0.973 52 S HN 2.351 nan 8.310 nan 0.000 0.544 53 G N 0.140 108.967 108.800 0.046 0.000 2.203 53 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.263 53 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.263 53 G C 0.931 175.853 174.900 0.037 0.000 1.012 53 G CA 0.355 45.484 45.100 0.048 0.000 0.749 53 G HN 1.615 nan 8.290 nan 0.000 0.512 54 A N -0.618 122.214 122.820 0.020 0.000 2.084 54 A HA 0.289 4.609 4.320 -0.000 0.000 0.221 54 A C 2.572 180.150 177.584 -0.010 0.000 1.161 54 A CA 2.201 54.236 52.037 -0.003 0.000 0.653 54 A CB -0.342 18.639 19.000 -0.033 0.000 0.802 54 A HN 1.837 nan 8.150 nan 0.000 0.457 55 A N -0.809 122.009 122.820 -0.004 0.000 2.308 55 A HA 0.499 4.819 4.320 -0.000 0.000 0.217 55 A C 1.382 178.979 177.584 0.022 0.000 1.216 55 A CA 0.680 52.714 52.037 -0.005 0.000 0.864 55 A CB -0.618 18.373 19.000 -0.016 0.000 0.902 55 A HN 0.667 nan 8.150 nan 0.000 0.499 56 G N -1.393 107.430 108.800 0.038 0.000 2.588 56 G HA2 0.339 4.299 3.960 -0.000 0.000 0.278 56 G HA3 0.339 4.299 3.960 -0.000 0.000 0.278 56 G C 0.890 175.833 174.900 0.073 0.000 1.307 56 G CA -0.258 44.875 45.100 0.055 0.000 1.016 56 G HN 0.201 nan 8.290 nan 0.000 0.503 57 M N -0.550 119.105 119.600 0.092 0.000 2.132 57 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 57 M C 2.539 178.951 176.300 0.187 0.000 1.065 57 M CA 1.278 56.660 55.300 0.137 0.000 1.122 57 M CB -0.365 32.322 32.600 0.144 0.000 1.365 57 M HN 0.442 nan 8.290 nan 0.000 0.411 58 I N -0.453 120.198 120.570 0.135 0.000 2.163 58 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 58 I C 2.787 178.986 176.117 0.136 0.000 1.085 58 I CA 1.425 62.799 61.300 0.124 0.000 1.347 58 I CB -0.589 37.456 38.000 0.076 0.000 1.044 58 I HN 0.327 nan 8.210 nan 0.000 0.408 59 S N 1.078 116.839 115.700 0.102 0.000 2.370 59 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 59 S C 1.835 176.507 174.600 0.120 0.000 1.033 59 S CA 2.108 60.358 58.200 0.083 0.000 1.011 59 S CB -0.457 62.774 63.200 0.052 0.000 0.852 59 S HN 0.403 nan 8.310 nan 0.000 0.457 60 N N 0.245 119.016 118.700 0.119 0.000 2.348 60 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 60 N C 1.598 177.134 175.510 0.044 0.000 1.019 60 N CA 1.535 54.645 53.050 0.100 0.000 0.880 60 N CB -0.180 38.301 38.487 -0.009 0.000 0.965 60 N HN 0.583 nan 8.380 nan 0.000 0.437 61 H N -1.433 117.705 119.070 0.113 0.000 2.439 61 H HA 0.054 4.610 4.556 -0.000 0.000 0.299 61 H C 1.705 177.106 175.328 0.123 0.000 1.033 61 H CA 0.489 56.590 56.048 0.089 0.000 1.348 61 H CB -0.178 29.597 29.762 0.020 0.000 1.449 61 H HN 0.149 nan 8.280 nan 0.000 0.544 62 L N 1.517 122.854 121.223 0.190 0.000 2.017 62 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 62 L C 2.266 179.151 176.870 0.025 0.000 1.073 62 L CA 1.274 56.160 54.840 0.077 0.000 0.745 62 L CB -0.927 41.151 42.059 0.032 0.000 0.894 62 L HN 0.119 nan 8.230 nan 0.000 0.432 63 L N -1.426 119.806 121.223 0.015 0.000 2.021 63 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 63 L C 2.512 179.176 176.870 -0.345 0.000 1.074 63 L CA 1.703 56.429 54.840 -0.188 0.000 0.760 63 L CB -0.885 41.001 42.059 -0.287 0.000 0.889 63 L HN 0.228 nan 8.230 nan 0.000 0.433 64 F N 0.112 119.999 119.950 -0.106 0.000 2.293 64 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 64 F C 2.504 178.158 175.800 -0.242 0.000 1.086 64 F CA 1.023 58.938 58.000 -0.142 0.000 1.375 64 F CB -0.546 38.483 39.000 0.049 0.000 1.045 64 F HN -0.054 nan 8.300 nan 0.000 0.516 65 K N 0.346 120.746 120.400 0.001 0.000 2.025 65 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 65 K C 2.070 178.566 176.600 -0.174 0.000 1.049 65 K CA 1.236 57.483 56.287 -0.066 0.000 0.933 65 K CB -0.512 31.962 32.500 -0.045 0.000 0.714 65 K HN 0.269 nan 8.250 nan 0.000 0.438 66 L N 0.560 121.669 121.223 -0.191 0.000 2.017 66 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 66 L C 2.544 179.245 176.870 -0.282 0.000 1.073 66 L CA 1.270 55.999 54.840 -0.184 0.000 0.745 66 L CB -0.526 41.443 42.059 -0.149 0.000 0.894 66 L HN 0.206 nan 8.230 nan 0.000 0.432 67 A N -0.297 122.237 122.820 -0.477 0.000 2.015 67 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 67 A C 2.465 179.572 177.584 -0.795 0.000 1.163 67 A CA 1.682 53.317 52.037 -0.671 0.000 0.646 67 A CB -0.578 17.866 19.000 -0.925 0.000 0.806 67 A HN 0.534 nan 8.150 nan 0.000 0.448 68 S N -1.952 113.307 115.700 -0.736 0.000 2.481 68 S HA 0.301 4.771 4.470 -0.000 0.000 0.231 68 S C 1.605 176.140 174.600 -0.109 0.000 0.996 68 S CA 1.295 59.318 58.200 -0.295 0.000 0.942 68 S CB -0.335 62.824 63.200 -0.069 0.000 0.768 68 S HN 1.882 nan 8.310 nan 0.000 0.520 69 G N 1.764 110.470 108.800 -0.156 0.000 2.195 69 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.246 69 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.246 69 G C 0.722 175.571 174.900 -0.085 0.000 0.984 69 G CA 0.674 45.712 45.100 -0.104 0.000 0.633 69 G HN 0.751 nan 8.290 nan 0.000 0.525 70 E N 0.438 120.585 120.200 -0.089 0.000 2.209 70 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 70 E C 2.142 178.655 176.600 -0.146 0.000 0.993 70 E CA 1.764 58.111 56.400 -0.090 0.000 0.819 70 E CB -0.179 29.478 29.700 -0.070 0.000 0.745 70 E HN 0.498 nan 8.360 nan 0.000 0.477 71 V N -0.206 119.592 119.914 -0.193 0.000 2.341 71 V HA -0.068 4.052 4.120 -0.000 0.000 0.240 71 V C 1.737 177.559 176.094 -0.454 0.000 1.035 71 V CA 1.314 63.400 62.300 -0.358 0.000 1.033 71 V CB -0.495 31.054 31.823 -0.457 0.000 0.678 71 V HN 0.230 nan 8.190 nan 0.000 0.464 72 F N 0.671 120.465 119.950 -0.259 0.000 2.789 72 F HA 0.524 5.051 4.527 -0.000 0.000 0.300 72 F C 1.234 176.924 175.800 -0.184 0.000 1.132 72 F CA 0.858 58.709 58.000 -0.249 0.000 1.404 72 F CB 0.037 38.865 39.000 -0.287 0.000 1.114 72 F HN 0.345 nan 8.300 nan 0.000 0.584 73 G N 0.022 108.808 108.800 -0.024 0.000 2.539 73 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 73 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 73 G C -0.067 174.793 174.900 -0.067 0.000 1.258 73 G CA -0.816 44.261 45.100 -0.040 0.000 0.846 73 G HN -0.106 nan 8.290 nan 0.000 0.647 74 Q N 0.015 119.788 119.800 -0.045 0.000 2.472 74 Q HA 0.009 4.349 4.340 -0.000 0.000 0.208 74 Q C 1.622 177.566 176.000 -0.092 0.000 0.958 74 Q CA 1.574 57.351 55.803 -0.043 0.000 0.932 74 Q CB 0.145 28.903 28.738 0.033 0.000 1.007 74 Q HN 0.839 nan 8.270 nan 0.000 0.508 75 D N -0.955 119.390 120.400 -0.091 0.000 2.427 75 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 75 D C -0.108 176.031 176.300 -0.269 0.000 1.157 75 D CA -0.144 53.801 54.000 -0.093 0.000 0.828 75 D CB 0.231 41.062 40.800 0.053 0.000 0.974 75 D HN -0.101 nan 8.370 nan 0.000 0.498 76 Q N 1.725 121.293 119.800 -0.387 0.000 2.533 76 Q HA 0.333 4.673 4.340 -0.000 0.000 0.251 76 Q C -2.884 172.812 176.000 -0.508 0.000 0.966 76 Q CA -1.772 53.811 55.803 -0.366 0.000 0.714 76 Q CB 2.326 30.957 28.738 -0.179 0.000 1.284 76 Q HN -0.069 nan 8.270 nan 0.000 0.478 77 P HA 0.290 nan 4.420 nan 0.000 0.274 77 P C -0.452 176.639 177.300 -0.349 0.000 1.237 77 P CA -0.228 62.531 63.100 -0.568 0.000 0.793 77 P CB 1.031 32.403 31.700 -0.548 0.000 0.977 78 I N -2.670 117.729 120.570 -0.285 0.000 3.095 78 I HA 0.853 5.023 4.170 -0.000 0.000 0.310 78 I C -1.531 174.472 176.117 -0.189 0.000 1.196 78 I CA -1.676 59.462 61.300 -0.270 0.000 0.985 78 I CB 2.371 40.166 38.000 -0.341 0.000 1.250 78 I HN 0.290 nan 8.210 nan 0.000 0.446 79 A N 4.654 127.369 122.820 -0.175 0.000 2.343 79 A HA 0.811 5.131 4.320 -0.000 0.000 0.316 79 A C -1.070 176.421 177.584 -0.155 0.000 1.104 79 A CA -0.610 51.346 52.037 -0.135 0.000 0.768 79 A CB 1.315 20.271 19.000 -0.073 0.000 1.213 79 A HN 0.715 nan 8.150 nan 0.000 0.456 80 L N 3.192 124.302 121.223 -0.188 0.000 2.287 80 L HA 0.422 4.762 4.340 -0.000 0.000 0.287 80 L C -0.419 176.371 176.870 -0.133 0.000 1.022 80 L CA -0.746 53.986 54.840 -0.180 0.000 0.814 80 L CB 1.588 43.489 42.059 -0.262 0.000 1.217 80 L HN 0.541 nan 8.230 nan 0.000 0.420 81 K N 6.268 126.630 120.400 -0.063 0.000 2.404 81 K HA 0.480 4.799 4.320 -0.000 0.000 0.257 81 K C -0.752 175.842 176.600 -0.010 0.000 1.026 81 K CA -0.354 55.922 56.287 -0.019 0.000 0.951 81 K CB 1.687 34.213 32.500 0.043 0.000 1.203 81 K HN 0.526 nan 8.250 nan 0.000 0.446 82 L N 3.874 125.065 121.223 -0.053 0.000 2.265 82 L HA 0.380 4.720 4.340 -0.000 0.000 0.288 82 L C -0.054 176.797 176.870 -0.031 0.000 1.058 82 L CA -1.091 53.716 54.840 -0.054 0.000 0.809 82 L CB 0.520 42.507 42.059 -0.121 0.000 1.179 82 L HN 0.283 nan 8.230 nan 0.000 0.429 83 L N 3.353 124.572 121.223 -0.008 0.000 2.287 83 L HA 0.830 5.170 4.340 -0.000 0.000 0.287 83 L C 0.168 177.034 176.870 -0.008 0.000 1.022 83 L CA 0.335 55.159 54.840 -0.027 0.000 0.814 83 L CB 1.351 43.367 42.059 -0.070 0.000 1.217 83 L HN 0.577 nan 8.230 nan 0.000 0.420 84 G N 1.966 110.773 108.800 0.012 0.000 3.140 84 G HA2 0.551 4.511 3.960 -0.000 0.000 0.271 84 G HA3 0.551 4.511 3.960 -0.000 0.000 0.271 84 G C -1.446 173.483 174.900 0.050 0.000 1.370 84 G CA -0.516 44.601 45.100 0.028 0.000 1.014 84 G HN 0.620 nan 8.290 nan 0.000 0.541 85 S N -1.462 114.275 115.700 0.062 0.000 2.565 85 S HA 0.266 4.736 4.470 -0.000 0.000 0.290 85 S C 1.127 175.787 174.600 0.100 0.000 1.150 85 S CA -0.221 58.016 58.200 0.061 0.000 1.058 85 S CB 1.419 64.648 63.200 0.047 0.000 1.032 85 S HN 0.587 nan 8.310 nan 0.000 0.510 86 E N 1.714 121.958 120.200 0.072 0.000 2.114 86 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 86 E C 1.893 178.553 176.600 0.100 0.000 1.008 86 E CA 1.285 57.726 56.400 0.068 0.000 0.810 86 E CB -0.114 29.593 29.700 0.012 0.000 0.739 86 E HN 0.515 nan 8.360 nan 0.000 0.456 87 R N 1.002 121.546 120.500 0.074 0.000 2.152 87 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 87 R C 1.760 178.112 176.300 0.086 0.000 1.117 87 R CA 1.628 57.770 56.100 0.070 0.000 0.981 87 R CB -0.174 30.155 30.300 0.048 0.000 0.870 87 R HN 0.137 nan 8.270 nan 0.000 0.451 88 S N -1.067 114.689 115.700 0.094 0.000 2.582 88 S HA 0.084 4.554 4.470 -0.000 0.000 0.234 88 S C 1.241 175.890 174.600 0.082 0.000 0.961 88 S CA -0.657 57.587 58.200 0.072 0.000 0.953 88 S CB -0.481 62.745 63.200 0.044 0.000 0.800 88 S HN 0.289 nan 8.310 nan 0.000 0.471 89 F N 3.639 123.592 119.950 0.004 0.000 2.102 89 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 89 F C 2.646 178.452 175.800 0.009 0.000 1.105 89 F CA 2.206 60.209 58.000 0.004 0.000 1.239 89 F CB -0.429 38.578 39.000 0.012 0.000 0.991 89 F HN 0.421 nan 8.300 nan 0.000 0.474 90 Q N 0.178 120.025 119.800 0.079 0.000 2.124 90 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 90 Q C 2.235 178.186 176.000 -0.083 0.000 0.977 90 Q CA 1.458 57.259 55.803 -0.004 0.000 0.850 90 Q CB -0.980 27.808 28.738 0.085 0.000 0.901 90 Q HN 0.386 nan 8.270 nan 0.000 0.429 91 A N 1.161 123.949 122.820 -0.052 0.000 1.972 91 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 91 A C 2.076 179.591 177.584 -0.115 0.000 1.169 91 A CA 1.137 53.142 52.037 -0.054 0.000 0.635 91 A CB -0.482 18.507 19.000 -0.019 0.000 0.810 91 A HN 0.372 nan 8.150 nan 0.000 0.446 92 L N -0.006 121.098 121.223 -0.198 0.000 2.156 92 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 92 L C 2.129 178.766 176.870 -0.388 0.000 1.095 92 L CA 1.992 56.663 54.840 -0.282 0.000 0.770 92 L CB -0.560 41.290 42.059 -0.348 0.000 0.914 92 L HN 0.495 nan 8.230 nan 0.000 0.439 93 E N -0.967 118.974 120.200 -0.432 0.000 2.106 93 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 93 E C 2.072 178.535 176.600 -0.228 0.000 0.984 93 E CA 0.857 57.027 56.400 -0.384 0.000 0.806 93 E CB -0.414 29.169 29.700 -0.195 0.000 0.750 93 E HN 0.632 nan 8.360 nan 0.000 0.458 94 G N 0.995 109.719 108.800 -0.125 0.000 2.442 94 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 94 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 94 G C 1.717 176.591 174.900 -0.043 0.000 1.141 94 G CA 0.729 45.803 45.100 -0.044 0.000 0.763 94 G HN 0.120 nan 8.290 nan 0.000 0.554 95 V N 1.293 121.151 119.914 -0.094 0.000 2.427 95 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 95 V C 3.258 179.283 176.094 -0.116 0.000 1.051 95 V CA 1.860 64.133 62.300 -0.046 0.000 1.048 95 V CB -0.680 31.097 31.823 -0.077 0.000 0.666 95 V HN 0.463 nan 8.190 nan 0.000 0.456 96 A N -0.580 122.036 122.820 -0.339 0.000 1.969 96 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 96 A C 2.227 179.746 177.584 -0.108 0.000 1.169 96 A CA 1.864 53.599 52.037 -0.504 0.000 0.635 96 A CB -0.414 17.698 19.000 -1.480 0.000 0.810 96 A HN 0.496 nan 8.150 nan 0.000 0.445 97 M N -0.826 118.767 119.600 -0.011 0.000 2.099 97 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 97 M C 2.005 178.421 176.300 0.194 0.000 1.067 97 M CA 1.474 56.898 55.300 0.207 0.000 1.124 97 M CB -0.450 32.254 32.600 0.173 0.000 1.353 97 M HN 0.417 nan 8.290 nan 0.000 0.410 98 E N 0.528 120.830 120.200 0.171 0.000 2.160 98 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 98 E C 2.043 178.861 176.600 0.363 0.000 0.991 98 E CA 1.114 57.663 56.400 0.248 0.000 0.810 98 E CB -0.240 29.633 29.700 0.288 0.000 0.742 98 E HN 0.536 nan 8.360 nan 0.000 0.466 99 L N 0.746 122.134 121.223 0.275 0.000 2.093 99 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 99 L C 2.329 179.451 176.870 0.420 0.000 1.085 99 L CA 1.038 56.009 54.840 0.219 0.000 0.755 99 L CB -0.270 41.754 42.059 -0.058 0.000 0.904 99 L HN 0.093 nan 8.230 nan 0.000 0.435 100 E N 0.066 120.528 120.200 0.437 0.000 2.077 100 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 100 E C 1.281 177.958 176.600 0.129 0.000 0.989 100 E CA 1.231 57.796 56.400 0.276 0.000 0.800 100 E CB -0.033 29.811 29.700 0.239 0.000 0.746 100 E HN 0.444 nan 8.360 nan 0.000 0.452 101 D N -0.193 120.295 120.400 0.146 0.000 2.378 101 D HA -0.002 4.638 4.640 -0.000 0.000 0.227 101 D C 1.151 177.484 176.300 0.054 0.000 1.012 101 D CA 0.424 54.473 54.000 0.081 0.000 0.905 101 D CB 0.191 41.040 40.800 0.081 0.000 0.895 101 D HN -0.056 nan 8.370 nan 0.000 0.532 102 S N -0.253 115.497 115.700 0.083 0.000 2.517 102 S HA 0.115 4.585 4.470 -0.000 0.000 0.214 102 S C 1.015 175.461 174.600 -0.257 0.000 0.991 102 S CA -0.260 57.894 58.200 -0.077 0.000 0.906 102 S CB 0.280 63.505 63.200 0.043 0.000 0.789 102 S HN 0.275 nan 8.310 nan 0.000 0.513 103 L N 0.849 122.029 121.223 -0.071 0.000 3.739 103 L HA -0.233 4.107 4.340 -0.000 0.000 0.442 103 L C -1.153 175.698 176.870 -0.033 0.000 1.241 103 L CA -0.014 54.796 54.840 -0.050 0.000 0.819 103 L CB -2.065 39.953 42.059 -0.067 0.000 1.679 103 L HN 0.313 nan 8.230 nan 0.000 0.889 104 Y N 1.273 121.643 120.300 0.117 0.000 2.486 104 Y HA 0.189 4.739 4.550 -0.000 0.000 0.348 104 Y C -0.431 175.532 175.900 0.105 0.000 1.000 104 Y CA -1.985 56.172 58.100 0.095 0.000 1.253 104 Y CB 0.406 38.905 38.460 0.064 0.000 1.140 104 Y HN 0.066 nan 8.280 nan 0.000 0.526 105 P HA -0.168 nan 4.420 nan 0.000 0.221 105 P C 1.026 178.455 177.300 0.214 0.000 1.145 105 P CA 1.387 64.631 63.100 0.241 0.000 0.795 105 P CB 0.483 32.334 31.700 0.252 0.000 0.775 106 L N -1.531 119.746 121.223 0.091 0.000 2.418 106 L HA 0.056 4.396 4.340 -0.000 0.000 0.218 106 L C 1.301 178.102 176.870 -0.115 0.000 1.125 106 L CA -0.080 54.668 54.840 -0.153 0.000 0.835 106 L CB -0.335 41.579 42.059 -0.241 0.000 0.953 106 L HN -0.007 nan 8.230 nan 0.000 0.454 107 L N 0.894 122.128 121.223 0.018 0.000 2.356 107 L HA 0.180 4.520 4.340 -0.000 0.000 0.282 107 L C 1.244 178.211 176.870 0.161 0.000 1.132 107 L CA 0.287 55.129 54.840 0.003 0.000 0.923 107 L CB 0.033 42.092 42.059 0.001 0.000 1.278 107 L HN -0.016 nan 8.230 nan 0.000 0.436 108 R N 2.366 122.921 120.500 0.091 0.000 2.127 108 R HA 0.220 4.560 4.340 -0.000 0.000 0.217 108 R C -0.107 176.337 176.300 0.239 0.000 1.074 108 R CA 0.548 56.759 56.100 0.186 0.000 0.991 108 R CB -0.039 30.328 30.300 0.112 0.000 0.895 108 R HN 0.607 nan 8.270 nan 0.000 0.450 109 E N 0.169 120.401 120.200 0.054 0.000 2.293 109 E HA 0.479 4.829 4.350 -0.000 0.000 0.270 109 E C -1.422 175.029 176.600 -0.248 0.000 0.879 109 E CA -0.619 55.784 56.400 0.005 0.000 0.756 109 E CB 3.169 32.885 29.700 0.027 0.000 1.208 109 E HN -0.269 nan 8.360 nan 0.000 0.428 110 V N 2.240 122.000 119.914 -0.257 0.000 2.612 110 V HA 0.419 4.539 4.120 -0.000 0.000 0.301 110 V C -0.933 175.126 176.094 -0.059 0.000 1.059 110 V CA -0.659 61.430 62.300 -0.351 0.000 0.886 110 V CB 1.795 33.138 31.823 -0.801 0.000 1.007 110 V HN 0.768 nan 8.190 nan 0.000 0.426 111 S N 5.535 121.200 115.700 -0.058 0.000 2.536 111 S HA 0.899 5.369 4.470 -0.000 0.000 0.287 111 S C -0.815 173.771 174.600 -0.024 0.000 1.101 111 S CA -0.765 57.454 58.200 0.032 0.000 0.950 111 S CB 2.170 65.400 63.200 0.050 0.000 1.056 111 S HN 0.874 nan 8.310 nan 0.000 0.481 112 I N -0.838 119.742 120.570 0.016 0.000 2.740 112 I HA 1.024 5.194 4.170 -0.000 0.000 0.303 112 I C 0.069 176.255 176.117 0.115 0.000 1.044 112 I CA -0.961 60.323 61.300 -0.027 0.000 1.064 112 I CB 1.797 39.682 38.000 -0.193 0.000 1.249 112 I HN 1.004 nan 8.210 nan 0.000 0.433 113 G N 3.590 112.466 108.800 0.128 0.000 2.495 113 G HA2 0.435 4.395 3.960 -0.000 0.000 0.294 113 G HA3 0.435 4.395 3.960 -0.000 0.000 0.294 113 G C -0.539 174.441 174.900 0.133 0.000 1.397 113 G CA -0.400 44.812 45.100 0.186 0.000 0.790 113 G HN 1.021 nan 8.290 nan 0.000 0.486 114 I N -2.908 117.709 120.570 0.079 0.000 4.240 114 I HA 0.420 4.590 4.170 -0.000 0.000 0.331 114 I C -0.588 175.507 176.117 -0.037 0.000 1.381 114 I CA -0.004 61.314 61.300 0.029 0.000 1.136 114 I CB 1.303 39.323 38.000 0.032 0.000 1.137 114 I HN 0.188 nan 8.210 nan 0.000 0.411 115 D N 3.370 123.735 120.400 -0.058 0.000 2.425 115 D HA 0.336 4.976 4.640 -0.000 0.000 0.240 115 D C -1.699 174.483 176.300 -0.196 0.000 1.080 115 D CA -2.372 51.588 54.000 -0.066 0.000 0.836 115 D CB 2.470 43.269 40.800 -0.002 0.000 1.125 115 D HN -0.084 nan 8.370 nan 0.000 0.525 116 P HA -0.175 nan 4.420 nan 0.000 0.216 116 P C 1.076 177.997 177.300 -0.631 0.000 1.150 116 P CA 1.000 63.576 63.100 -0.874 0.000 0.837 116 P CB 0.127 31.298 31.700 -0.882 0.000 0.786 117 Y N 0.358 120.526 120.300 -0.220 0.000 2.483 117 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 117 Y C 2.576 178.440 175.900 -0.060 0.000 1.143 117 Y CA 1.013 59.067 58.100 -0.078 0.000 1.289 117 Y CB -0.483 37.954 38.460 -0.039 0.000 0.983 117 Y HN 0.017 nan 8.280 nan 0.000 0.556 118 E N -0.814 119.395 120.200 0.014 0.000 2.094 118 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 118 E C 2.469 179.057 176.600 -0.020 0.000 0.950 118 E CA 0.851 57.259 56.400 0.013 0.000 0.842 118 E CB -0.735 28.970 29.700 0.009 0.000 0.816 118 E HN 0.205 nan 8.360 nan 0.000 0.465 119 V N 1.791 121.637 119.914 -0.113 0.000 2.282 119 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 119 V C 2.027 178.165 176.094 0.074 0.000 1.057 119 V CA 1.591 63.841 62.300 -0.083 0.000 1.032 119 V CB -0.634 31.069 31.823 -0.200 0.000 0.645 119 V HN 0.127 nan 8.190 nan 0.000 0.447 120 F N -0.064 119.865 119.950 -0.034 0.000 2.805 120 F HA 0.127 4.654 4.527 -0.000 0.000 0.301 120 F C 1.242 177.024 175.800 -0.029 0.000 1.196 120 F CA -0.735 57.236 58.000 -0.047 0.000 1.439 120 F CB -1.191 37.755 39.000 -0.090 0.000 1.117 120 F HN 0.210 nan 8.300 nan 0.000 0.581 121 E N 1.776 122.068 120.200 0.154 0.000 2.614 121 E HA -0.148 4.202 4.350 -0.000 0.000 0.245 121 E C 0.447 177.092 176.600 0.075 0.000 1.039 121 E CA 0.499 56.958 56.400 0.099 0.000 0.948 121 E CB -0.030 29.714 29.700 0.073 0.000 0.937 121 E HN 0.308 nan 8.360 nan 0.000 0.498 122 D N 0.129 120.562 120.400 0.055 0.000 3.039 122 D HA -0.190 4.450 4.640 -0.000 0.000 0.222 122 D C 0.473 176.778 176.300 0.009 0.000 1.179 122 D CA 1.022 55.037 54.000 0.026 0.000 0.880 122 D CB -1.532 39.283 40.800 0.025 0.000 1.115 122 D HN 0.381 nan 8.370 nan 0.000 0.416 123 V N -2.018 117.904 119.914 0.013 0.000 2.811 123 V HA 0.169 4.289 4.120 -0.000 0.000 0.302 123 V C 1.201 177.256 176.094 -0.064 0.000 1.063 123 V CA 0.194 62.490 62.300 -0.007 0.000 1.088 123 V CB 1.449 33.276 31.823 0.008 0.000 0.982 123 V HN -0.102 nan 8.190 nan 0.000 0.485 124 D N 1.614 121.986 120.400 -0.046 0.000 2.355 124 D HA 0.123 4.763 4.640 -0.000 0.000 0.206 124 D C -0.375 175.698 176.300 -0.378 0.000 1.010 124 D CA 0.941 54.848 54.000 -0.156 0.000 0.875 124 D CB 0.433 41.211 40.800 -0.038 0.000 0.966 124 D HN 0.674 nan 8.370 nan 0.000 0.512 125 W N 0.564 121.795 121.300 -0.115 0.000 2.915 125 W HA 0.579 5.239 4.660 -0.000 0.000 0.337 125 W C -0.919 175.515 176.519 -0.142 0.000 1.102 125 W CA -0.809 56.477 57.345 -0.098 0.000 1.224 125 W CB 1.809 31.261 29.460 -0.013 0.000 1.416 125 W HN -0.296 nan 8.180 nan 0.000 0.503 126 A N 3.593 126.428 122.820 0.024 0.000 2.411 126 A HA 0.707 5.027 4.320 -0.000 0.000 0.285 126 A C -1.453 176.135 177.584 0.007 0.000 1.129 126 A CA -0.669 51.300 52.037 -0.114 0.000 0.736 126 A CB 0.438 19.189 19.000 -0.414 0.000 1.186 126 A HN 0.649 nan 8.150 nan 0.000 0.445 127 L N 4.018 125.277 121.223 0.061 0.000 2.315 127 L HA 0.310 4.650 4.340 -0.000 0.000 0.278 127 L C -0.612 176.314 176.870 0.093 0.000 1.088 127 L CA -0.166 54.727 54.840 0.088 0.000 0.899 127 L CB 0.466 42.569 42.059 0.074 0.000 1.277 127 L HN 0.593 nan 8.230 nan 0.000 0.431 128 L N 4.651 125.951 121.223 0.128 0.000 2.375 128 L HA 0.264 4.604 4.340 -0.000 0.000 0.276 128 L C 1.082 178.101 176.870 0.248 0.000 1.162 128 L CA -0.005 54.943 54.840 0.180 0.000 0.991 128 L CB 0.532 42.747 42.059 0.261 0.000 1.315 128 L HN 0.690 nan 8.230 nan 0.000 0.431 129 I N 1.001 121.673 120.570 0.170 0.000 2.628 129 I HA 0.064 4.234 4.170 -0.000 0.000 0.255 129 I C 1.730 177.950 176.117 0.172 0.000 1.119 129 I CA 0.153 61.549 61.300 0.159 0.000 1.448 129 I CB -0.045 38.018 38.000 0.104 0.000 1.133 129 I HN 0.613 nan 8.210 nan 0.000 0.438 130 G N 1.946 110.824 108.800 0.130 0.000 2.225 130 G HA2 0.386 4.346 3.960 -0.000 0.000 0.245 130 G HA3 0.386 4.346 3.960 -0.000 0.000 0.245 130 G C -0.358 174.641 174.900 0.165 0.000 1.249 130 G CA 0.471 45.634 45.100 0.105 0.000 0.919 130 G HN 0.480 nan 8.290 nan 0.000 0.486 131 A N 2.798 125.711 122.820 0.156 0.000 2.581 131 A HA 0.603 4.923 4.320 -0.000 0.000 0.294 131 A C -0.379 177.273 177.584 0.115 0.000 1.035 131 A CA -0.896 51.254 52.037 0.189 0.000 0.684 131 A CB 0.970 20.128 19.000 0.264 0.000 1.282 131 A HN 0.650 nan 8.150 nan 0.000 0.417 132 K N 2.247 122.705 120.400 0.098 0.000 2.322 132 K HA 0.445 4.765 4.320 -0.000 0.000 0.283 132 K C -2.255 174.377 176.600 0.053 0.000 1.042 132 K CA -1.288 55.038 56.287 0.066 0.000 0.958 132 K CB 0.733 33.267 32.500 0.057 0.000 0.984 132 K HN 0.565 nan 8.250 nan 0.000 0.473 133 P HA 0.103 nan 4.420 nan 0.000 0.276 133 P C -0.953 176.356 177.300 0.015 0.000 1.252 133 P CA -0.515 62.601 63.100 0.027 0.000 0.802 133 P CB 0.745 32.462 31.700 0.027 0.000 1.035 134 R N 0.834 121.335 120.500 0.002 0.000 2.291 134 R HA 0.340 4.680 4.340 -0.000 0.000 0.333 134 R C 0.912 177.212 176.300 -0.000 0.000 1.082 134 R CA 0.017 56.115 56.100 -0.004 0.000 0.948 134 R CB -0.195 30.095 30.300 -0.018 0.000 1.009 134 R HN 0.660 nan 8.270 nan 0.000 0.460 135 G N 4.066 112.869 108.800 0.004 0.000 2.783 135 G HA2 0.113 4.073 3.960 -0.000 0.000 0.182 135 G HA3 0.113 4.073 3.960 -0.000 0.000 0.182 135 G C -1.133 173.768 174.900 0.001 0.000 1.516 135 G CA -0.467 44.636 45.100 0.004 0.000 1.079 135 G HN 0.510 nan 8.290 nan 0.000 0.573 136 P HA 0.053 nan 4.420 nan 0.000 0.208 136 P C 1.142 178.441 177.300 -0.001 0.000 1.200 136 P CA 1.601 64.702 63.100 0.001 0.000 0.924 136 P CB -0.278 31.423 31.700 0.002 0.000 0.774 137 G N 0.003 108.803 108.800 0.000 0.000 4.420 137 G HA2 0.454 4.414 3.960 -0.000 0.000 0.299 137 G HA3 0.454 4.414 3.960 -0.000 0.000 0.299 137 G C -0.132 174.767 174.900 -0.001 0.000 1.343 137 G CA -0.312 44.787 45.100 -0.001 0.000 1.272 137 G HN 0.221 nan 8.290 nan 0.000 0.610 138 M N 1.334 120.933 119.600 -0.003 0.000 2.227 138 M HA 0.392 4.872 4.480 -0.000 0.000 0.335 138 M C -0.294 176.000 176.300 -0.010 0.000 1.053 138 M CA -0.755 54.543 55.300 -0.003 0.000 0.973 138 M CB 1.504 34.104 32.600 -0.000 0.000 1.623 138 M HN 0.072 nan 8.290 nan 0.000 0.434 139 E N 2.291 122.484 120.200 -0.011 0.000 2.585 139 E HA 0.011 4.361 4.350 -0.000 0.000 0.256 139 E C 0.359 176.944 176.600 -0.024 0.000 1.383 139 E CA -0.085 56.304 56.400 -0.018 0.000 1.029 139 E CB 0.322 30.011 29.700 -0.019 0.000 1.044 139 E HN 0.639 nan 8.360 nan 0.000 0.595 140 R N 0.386 120.865 120.500 -0.034 0.000 2.112 140 R HA 0.066 4.406 4.340 -0.000 0.000 0.216 140 R C 1.881 178.155 176.300 -0.043 0.000 1.080 140 R CA 1.596 57.670 56.100 -0.043 0.000 0.996 140 R CB -0.723 29.545 30.300 -0.052 0.000 0.902 140 R HN 0.508 nan 8.270 nan 0.000 0.449 141 A N 0.545 123.339 122.820 -0.044 0.000 1.933 141 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 141 A C 2.329 179.900 177.584 -0.021 0.000 1.175 141 A CA 1.649 53.661 52.037 -0.043 0.000 0.628 141 A CB -0.971 17.998 19.000 -0.052 0.000 0.814 141 A HN 0.459 nan 8.150 nan 0.000 0.444 142 A N -0.448 122.364 122.820 -0.013 0.000 1.877 142 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 142 A C 2.113 179.700 177.584 0.006 0.000 1.186 142 A CA 1.702 53.740 52.037 0.002 0.000 0.620 142 A CB -0.649 18.352 19.000 0.003 0.000 0.822 142 A HN 0.665 nan 8.150 nan 0.000 0.443 143 L N -0.373 120.847 121.223 -0.005 0.000 2.079 143 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 143 L C 2.253 179.119 176.870 -0.006 0.000 1.081 143 L CA 1.567 56.405 54.840 -0.004 0.000 0.752 143 L CB -0.411 41.636 42.059 -0.020 0.000 0.896 143 L HN 0.406 nan 8.230 nan 0.000 0.433 144 L N -0.910 120.301 121.223 -0.021 0.000 2.093 144 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 144 L C 2.342 179.206 176.870 -0.010 0.000 1.085 144 L CA 1.539 56.360 54.840 -0.031 0.000 0.755 144 L CB -0.611 41.420 42.059 -0.046 0.000 0.904 144 L HN 0.383 nan 8.230 nan 0.000 0.435 145 D N 0.282 120.690 120.400 0.013 0.000 2.120 145 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 145 D C 2.249 178.587 176.300 0.064 0.000 0.972 145 D CA 1.090 55.117 54.000 0.045 0.000 0.837 145 D CB 0.212 41.060 40.800 0.080 0.000 0.989 145 D HN 0.250 nan 8.370 nan 0.000 0.469 146 I N 0.975 121.580 120.570 0.059 0.000 2.113 146 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 146 I C 2.160 178.336 176.117 0.098 0.000 1.070 146 I CA 0.870 62.212 61.300 0.071 0.000 1.332 146 I CB -0.421 37.613 38.000 0.056 0.000 1.044 146 I HN -0.039 nan 8.210 nan 0.000 0.402 147 N N 1.157 119.920 118.700 0.106 0.000 2.309 147 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 147 N C 1.859 177.524 175.510 0.258 0.000 1.018 147 N CA 1.401 54.567 53.050 0.192 0.000 0.876 147 N CB -0.570 38.010 38.487 0.155 0.000 0.972 147 N HN 0.445 nan 8.380 nan 0.000 0.434 148 G N 0.646 109.523 108.800 0.128 0.000 2.422 148 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 148 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 148 G C 1.597 176.582 174.900 0.142 0.000 1.146 148 G CA 0.716 45.879 45.100 0.104 0.000 0.769 148 G HN 0.287 nan 8.290 nan 0.000 0.547 149 Q N 0.377 120.250 119.800 0.122 0.000 2.079 149 Q HA 0.070 4.410 4.340 -0.000 0.000 0.200 149 Q C 2.431 178.500 176.000 0.116 0.000 0.974 149 Q CA 0.966 56.835 55.803 0.111 0.000 0.840 149 Q CB -0.383 28.418 28.738 0.105 0.000 0.898 149 Q HN 0.554 nan 8.270 nan 0.000 0.430 150 I N -0.457 120.193 120.570 0.133 0.000 2.208 150 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 150 I C 1.424 177.520 176.117 -0.035 0.000 1.097 150 I CA 1.180 62.511 61.300 0.052 0.000 1.363 150 I CB -0.228 37.807 38.000 0.058 0.000 1.051 150 I HN 0.184 nan 8.210 nan 0.000 0.413 151 F N 0.443 120.426 119.950 0.055 0.000 2.367 151 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 151 F C 2.459 178.288 175.800 0.048 0.000 1.094 151 F CA 0.918 58.954 58.000 0.060 0.000 1.409 151 F CB -0.639 38.389 39.000 0.047 0.000 1.064 151 F HN -0.027 nan 8.300 nan 0.000 0.528 152 A N -0.041 122.881 122.820 0.169 0.000 1.873 152 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 152 A C 1.901 179.536 177.584 0.084 0.000 1.186 152 A CA 2.038 54.136 52.037 0.101 0.000 0.616 152 A CB -1.008 18.037 19.000 0.075 0.000 0.823 152 A HN 0.355 nan 8.150 nan 0.000 0.442 153 D N -0.705 119.740 120.400 0.076 0.000 2.092 153 D HA -0.203 4.437 4.640 -0.000 0.000 0.193 153 D C 2.111 178.422 176.300 0.018 0.000 0.994 153 D CA 1.881 55.925 54.000 0.072 0.000 0.828 153 D CB -0.249 40.590 40.800 0.065 0.000 0.963 153 D HN 0.571 nan 8.370 nan 0.000 0.450 154 Q N -0.481 119.319 119.800 0.000 0.000 2.124 154 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 154 Q C 2.321 178.374 176.000 0.090 0.000 0.977 154 Q CA 1.257 57.100 55.803 0.067 0.000 0.850 154 Q CB -0.281 28.469 28.738 0.019 0.000 0.901 154 Q HN 0.442 nan 8.270 nan 0.000 0.429 155 G N 1.294 110.144 108.800 0.082 0.000 2.422 155 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 155 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 155 G C 1.287 176.227 174.900 0.067 0.000 1.146 155 G CA 0.561 45.722 45.100 0.102 0.000 0.769 155 G HN 0.206 nan 8.290 nan 0.000 0.547 156 K N 0.524 120.955 120.400 0.052 0.000 2.057 156 K HA 0.101 4.421 4.320 -0.000 0.000 0.206 156 K C 2.964 179.565 176.600 0.003 0.000 1.050 156 K CA 0.884 57.217 56.287 0.077 0.000 0.935 156 K CB -0.191 32.405 32.500 0.159 0.000 0.715 156 K HN 0.254 nan 8.250 nan 0.000 0.439 157 A N 1.635 124.290 122.820 -0.275 0.000 1.877 157 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 157 A C 2.155 179.695 177.584 -0.073 0.000 1.186 157 A CA 1.318 52.974 52.037 -0.634 0.000 0.620 157 A CB -0.737 17.784 19.000 -0.799 0.000 0.822 157 A HN 0.153 nan 8.150 nan 0.000 0.443 158 L N -0.146 121.106 121.223 0.049 0.000 2.042 158 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 158 L C 2.612 179.496 176.870 0.023 0.000 1.076 158 L CA 1.519 56.361 54.840 0.002 0.000 0.749 158 L CB -0.601 41.399 42.059 -0.099 0.000 0.893 158 L HN 0.534 nan 8.230 nan 0.000 0.432 159 N N 0.227 118.958 118.700 0.052 0.000 2.223 159 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 159 N C 1.722 177.274 175.510 0.069 0.000 1.016 159 N CA 1.490 54.577 53.050 0.063 0.000 0.863 159 N CB 0.214 38.743 38.487 0.070 0.000 0.983 159 N HN 0.341 nan 8.380 nan 0.000 0.429 160 A N 0.255 123.134 122.820 0.098 0.000 1.903 160 A HA 0.001 4.321 4.320 -0.000 0.000 0.213 160 A C 2.131 179.782 177.584 0.111 0.000 1.185 160 A CA 1.687 53.802 52.037 0.130 0.000 0.628 160 A CB -0.246 18.900 19.000 0.244 0.000 0.830 160 A HN 0.254 nan 8.150 nan 0.000 0.446 161 V N -4.385 115.593 119.914 0.107 0.000 3.612 161 V HA 0.635 4.755 4.120 -0.000 0.000 0.268 161 V C 1.105 177.239 176.094 0.068 0.000 1.365 161 V CA 0.172 62.530 62.300 0.096 0.000 1.044 161 V CB -0.847 31.051 31.823 0.126 0.000 0.820 161 V HN 0.504 nan 8.190 nan 0.000 0.444 162 A N 1.233 124.081 122.820 0.047 0.000 2.327 162 A HA 0.595 4.914 4.320 -0.000 0.000 0.255 162 A C 0.694 178.262 177.584 -0.028 0.000 1.099 162 A CA 0.696 52.730 52.037 -0.004 0.000 0.801 162 A CB 0.325 19.276 19.000 -0.083 0.000 1.062 162 A HN 0.738 nan 8.150 nan 0.000 0.496 163 S N -0.494 115.172 115.700 -0.058 0.000 2.568 163 S HA 0.087 4.557 4.470 -0.000 0.000 0.282 163 S C 0.865 175.417 174.600 -0.079 0.000 1.338 163 S CA -0.310 57.852 58.200 -0.063 0.000 1.045 163 S CB 0.340 63.489 63.200 -0.086 0.000 0.873 163 S HN 0.505 nan 8.310 nan 0.000 0.516 164 K N 2.516 122.881 120.400 -0.058 0.000 2.504 164 K HA 0.020 4.340 4.320 -0.000 0.000 0.195 164 K C 0.591 177.141 176.600 -0.085 0.000 1.036 164 K CA 0.534 56.789 56.287 -0.054 0.000 0.984 164 K CB -0.658 31.824 32.500 -0.031 0.000 0.788 164 K HN 0.654 nan 8.250 nan 0.000 0.488 165 N N 0.342 118.971 118.700 -0.118 0.000 2.351 165 N HA -0.011 4.728 4.740 -0.000 0.000 0.254 165 N C -1.012 174.345 175.510 -0.256 0.000 1.241 165 N CA -0.170 52.786 53.050 -0.156 0.000 0.883 165 N CB 0.522 38.935 38.487 -0.123 0.000 1.202 165 N HN -0.211 nan 8.380 nan 0.000 0.512 166 V N 1.278 121.024 119.914 -0.280 0.000 2.655 166 V HA 0.187 4.307 4.120 -0.000 0.000 0.300 166 V C -0.451 175.329 176.094 -0.523 0.000 1.044 166 V CA -0.019 62.045 62.300 -0.393 0.000 1.095 166 V CB 0.447 32.073 31.823 -0.329 0.000 0.952 166 V HN 0.099 nan 8.190 nan 0.000 0.485 167 K N 5.980 125.954 120.400 -0.710 0.000 2.213 167 K HA 0.501 4.821 4.320 -0.000 0.000 0.270 167 K C -0.973 175.351 176.600 -0.459 0.000 1.002 167 K CA -0.405 55.477 56.287 -0.674 0.000 0.868 167 K CB 1.696 33.493 32.500 -1.172 0.000 1.093 167 K HN 0.487 nan 8.250 nan 0.000 0.454 168 V N 4.456 124.143 119.914 -0.379 0.000 2.357 168 V HA 0.314 4.434 4.120 -0.000 0.000 0.284 168 V C -0.233 175.884 176.094 0.039 0.000 1.018 168 V CA -0.935 61.225 62.300 -0.234 0.000 0.841 168 V CB 1.432 32.982 31.823 -0.456 0.000 0.991 168 V HN 0.475 nan 8.190 nan 0.000 0.437 169 L N 5.792 127.078 121.223 0.105 0.000 2.280 169 L HA 0.541 4.881 4.340 -0.000 0.000 0.287 169 L C -0.236 176.731 176.870 0.161 0.000 1.023 169 L CA -0.337 54.593 54.840 0.151 0.000 0.819 169 L CB 1.749 43.879 42.059 0.119 0.000 1.212 169 L HN 0.378 nan 8.230 nan 0.000 0.420 170 V N 5.073 125.093 119.914 0.177 0.000 2.407 170 V HA 0.261 4.381 4.120 -0.000 0.000 0.278 170 V C 0.861 177.029 176.094 0.123 0.000 1.037 170 V CA -0.253 62.158 62.300 0.186 0.000 0.900 170 V CB 2.047 33.940 31.823 0.118 0.000 0.983 170 V HN 0.606 nan 8.190 nan 0.000 0.459 171 V N 3.383 123.387 119.914 0.151 0.000 3.612 171 V HA 0.280 4.400 4.120 -0.000 0.000 0.268 171 V C 1.345 177.517 176.094 0.129 0.000 1.365 171 V CA 0.638 63.010 62.300 0.121 0.000 1.044 171 V CB 0.516 32.402 31.823 0.104 0.000 0.820 171 V HN 0.889 nan 8.190 nan 0.000 0.444 172 G N 1.610 110.512 108.800 0.170 0.000 2.380 172 G HA2 0.205 4.165 3.960 -0.000 0.000 0.262 172 G HA3 0.205 4.165 3.960 -0.000 0.000 0.262 172 G C -0.191 174.697 174.900 -0.021 0.000 1.243 172 G CA -0.242 44.948 45.100 0.149 0.000 0.865 172 G HN 0.277 nan 8.290 nan 0.000 0.513 173 N N 2.630 121.324 118.700 -0.009 0.000 2.492 173 N HA 0.187 4.927 4.740 -0.000 0.000 0.260 173 N C -2.355 173.096 175.510 -0.098 0.000 1.215 173 N CA -0.875 52.129 53.050 -0.077 0.000 0.923 173 N CB 1.487 39.929 38.487 -0.075 0.000 1.092 173 N HN 0.300 nan 8.380 nan 0.000 0.448 174 P HA 0.210 nan 4.420 nan 0.000 0.295 174 P C 0.515 177.711 177.300 -0.173 0.000 1.354 174 P CA -0.410 62.602 63.100 -0.147 0.000 0.814 174 P CB 0.492 32.116 31.700 -0.126 0.000 0.935 175 C N 3.972 123.201 119.300 -0.118 0.000 2.303 175 C HA -0.261 4.199 4.460 -0.000 0.000 0.273 175 C C 2.483 177.413 174.990 -0.101 0.000 1.154 175 C CA 1.848 60.814 59.018 -0.087 0.000 1.784 175 C CB -2.166 25.631 27.740 0.096 0.000 1.993 175 C HN 0.575 nan 8.230 nan 0.000 0.430 176 N N 0.447 119.118 118.700 -0.048 0.000 2.061 176 N HA -0.137 4.603 4.740 -0.000 0.000 0.193 176 N C 1.626 177.102 175.510 -0.056 0.000 1.030 176 N CA 2.290 55.318 53.050 -0.036 0.000 0.856 176 N CB -0.718 37.750 38.487 -0.031 0.000 1.023 176 N HN 0.560 nan 8.380 nan 0.000 0.424 177 T N 0.737 115.238 114.554 -0.088 0.000 2.777 177 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 177 T C 1.473 176.091 174.700 -0.137 0.000 1.040 177 T CA 0.814 62.859 62.100 -0.091 0.000 1.141 177 T CB -0.268 68.545 68.868 -0.091 0.000 0.868 177 T HN 0.243 nan 8.240 nan 0.000 0.444 178 N N 1.606 120.153 118.700 -0.255 0.000 2.104 178 N HA -0.037 4.703 4.740 -0.000 0.000 0.190 178 N C 2.089 177.458 175.510 -0.235 0.000 1.024 178 N CA 1.346 54.131 53.050 -0.441 0.000 0.853 178 N CB -0.514 37.239 38.487 -1.224 0.000 1.008 178 N HN 0.428 nan 8.380 nan 0.000 0.424 179 A N 0.836 123.568 122.820 -0.147 0.000 1.930 179 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 179 A C 2.235 179.788 177.584 -0.052 0.000 1.175 179 A CA 0.848 52.897 52.037 0.020 0.000 0.627 179 A CB -0.599 18.450 19.000 0.083 0.000 0.815 179 A HN 0.234 nan 8.150 nan 0.000 0.443 180 L N 0.067 121.256 121.223 -0.057 0.000 2.027 180 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 180 L C 2.233 179.037 176.870 -0.110 0.000 1.074 180 L CA 1.711 56.511 54.840 -0.067 0.000 0.745 180 L CB -0.455 41.599 42.059 -0.010 0.000 0.898 180 L HN 0.435 nan 8.230 nan 0.000 0.433 181 I N -1.370 119.157 120.570 -0.072 0.000 2.127 181 I HA -0.406 3.764 4.170 -0.000 0.000 0.241 181 I C 2.771 178.864 176.117 -0.041 0.000 1.075 181 I CA 1.581 62.853 61.300 -0.047 0.000 1.334 181 I CB -0.653 37.343 38.000 -0.007 0.000 1.040 181 I HN 0.487 nan 8.210 nan 0.000 0.405 182 C N 1.072 120.385 119.300 0.021 0.000 2.398 182 C HA -0.212 4.248 4.460 -0.000 0.000 0.276 182 C C 2.843 177.700 174.990 -0.221 0.000 1.222 182 C CA 1.366 60.422 59.018 0.063 0.000 1.746 182 C CB -1.049 26.867 27.740 0.294 0.000 2.039 182 C HN 0.547 nan 8.230 nan 0.000 0.470 183 L N 0.577 121.433 121.223 -0.612 0.000 2.046 183 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 183 L C 2.468 179.009 176.870 -0.547 0.000 1.077 183 L CA 1.752 55.893 54.840 -1.165 0.000 0.747 183 L CB -0.592 40.798 42.059 -1.116 0.000 0.896 183 L HN 0.275 nan 8.230 nan 0.000 0.432 184 K N 0.165 120.380 120.400 -0.308 0.000 2.211 184 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 184 K C 1.374 177.907 176.600 -0.112 0.000 1.050 184 K CA 0.822 57.005 56.287 -0.173 0.000 0.945 184 K CB -0.373 32.065 32.500 -0.102 0.000 0.732 184 K HN 0.520 nan 8.250 nan 0.000 0.451 185 N N 0.246 118.890 118.700 -0.095 0.000 2.322 185 N HA 0.036 4.776 4.740 -0.000 0.000 0.194 185 N C -0.231 175.273 175.510 -0.010 0.000 1.126 185 N CA 0.118 53.153 53.050 -0.026 0.000 0.845 185 N CB 0.770 39.265 38.487 0.013 0.000 0.976 185 N HN -0.014 nan 8.380 nan 0.000 0.475 186 A N 1.228 124.016 122.820 -0.054 0.000 3.308 186 A HA 0.285 4.605 4.320 -0.000 0.000 0.275 186 A C -1.666 175.909 177.584 -0.016 0.000 0.950 186 A CA -0.834 51.210 52.037 0.012 0.000 0.987 186 A CB 0.616 19.694 19.000 0.129 0.000 1.146 186 A HN -0.098 nan 8.150 nan 0.000 0.488 187 P HA -0.162 nan 4.420 nan 0.000 0.223 187 P C 0.124 177.417 177.300 -0.012 0.000 1.144 187 P CA 1.135 64.211 63.100 -0.040 0.000 0.783 187 P CB 0.281 31.965 31.700 -0.027 0.000 0.771 188 D N -0.453 119.956 120.400 0.014 0.000 2.340 188 D HA 0.137 4.777 4.640 -0.000 0.000 0.220 188 D C 0.909 177.226 176.300 0.029 0.000 1.039 188 D CA 0.329 54.340 54.000 0.018 0.000 0.866 188 D CB 0.450 41.263 40.800 0.022 0.000 0.913 188 D HN 0.321 nan 8.370 nan 0.000 0.523 189 I N 1.826 122.436 120.570 0.067 0.000 2.354 189 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 189 I C -2.320 173.876 176.117 0.130 0.000 0.989 189 I CA -2.371 58.988 61.300 0.100 0.000 1.188 189 I CB 1.869 39.982 38.000 0.189 0.000 1.342 189 I HN -0.420 nan 8.210 nan 0.000 0.457 190 P HA -0.074 nan 4.420 nan 0.000 0.260 190 P C 0.457 177.830 177.300 0.121 0.000 1.172 190 P CA 0.198 63.319 63.100 0.035 0.000 0.760 190 P CB 0.740 32.433 31.700 -0.011 0.000 0.773 191 A N 5.326 128.131 122.820 -0.025 0.000 2.024 191 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 191 A C 1.718 179.327 177.584 0.043 0.000 1.164 191 A CA 1.618 53.550 52.037 -0.174 0.000 0.643 191 A CB -0.890 17.672 19.000 -0.730 0.000 0.806 191 A HN 0.675 nan 8.150 nan 0.000 0.451 192 K N -0.901 119.540 120.400 0.069 0.000 2.555 192 K HA 0.027 4.347 4.320 -0.000 0.000 0.193 192 K C 0.440 177.137 176.600 0.161 0.000 1.032 192 K CA 1.127 57.497 56.287 0.139 0.000 1.004 192 K CB -0.245 32.259 32.500 0.006 0.000 0.804 192 K HN 0.254 nan 8.250 nan 0.000 0.496 193 N N 0.106 118.883 118.700 0.128 0.000 2.353 193 N HA 0.121 4.861 4.740 -0.000 0.000 0.185 193 N C -1.002 174.412 175.510 -0.160 0.000 1.098 193 N CA 0.166 53.189 53.050 -0.044 0.000 0.872 193 N CB 0.205 38.534 38.487 -0.265 0.000 0.970 193 N HN 0.086 nan 8.380 nan 0.000 0.467 194 F N 0.651 120.581 119.950 -0.033 0.000 2.408 194 F HA 0.360 4.887 4.527 -0.000 0.000 0.344 194 F C 0.742 176.472 175.800 -0.116 0.000 1.112 194 F CA -0.614 57.381 58.000 -0.008 0.000 1.096 194 F CB 0.790 39.777 39.000 -0.022 0.000 1.129 194 F HN -0.020 nan 8.300 nan 0.000 0.486 195 H N 1.242 120.408 119.070 0.159 0.000 2.622 195 H HA 0.737 5.293 4.556 -0.000 0.000 0.363 195 H C -0.955 174.418 175.328 0.074 0.000 1.151 195 H CA -1.061 55.041 56.048 0.090 0.000 1.184 195 H CB 2.206 31.993 29.762 0.042 0.000 1.643 195 H HN 0.681 nan 8.280 nan 0.000 0.531 196 A N 3.394 126.300 122.820 0.142 0.000 2.304 196 A HA 0.309 4.629 4.320 -0.000 0.000 0.314 196 A C -0.281 177.317 177.584 0.024 0.000 1.187 196 A CA -0.735 51.344 52.037 0.071 0.000 0.810 196 A CB 0.584 19.604 19.000 0.033 0.000 1.183 196 A HN 0.677 nan 8.150 nan 0.000 0.487 197 L N 3.839 125.056 121.223 -0.009 0.000 2.500 197 L HA 0.358 4.698 4.340 -0.000 0.000 0.272 197 L C 0.965 177.653 176.870 -0.303 0.000 1.149 197 L CA 1.001 55.779 54.840 -0.104 0.000 0.897 197 L CB 0.708 42.718 42.059 -0.082 0.000 1.178 197 L HN 0.788 nan 8.230 nan 0.000 0.473 198 T N -0.086 114.318 114.554 -0.250 0.000 3.058 198 T HA 0.147 4.497 4.350 -0.000 0.000 0.278 198 T C 1.475 176.050 174.700 -0.207 0.000 0.974 198 T CA -0.388 61.516 62.100 -0.327 0.000 0.893 198 T CB 0.048 68.783 68.868 -0.222 0.000 1.138 198 T HN 0.606 nan 8.240 nan 0.000 0.529 199 R N 1.282 121.690 120.500 -0.152 0.000 2.096 199 R HA 0.135 4.475 4.340 -0.000 0.000 0.235 199 R C 2.000 178.234 176.300 -0.110 0.000 1.127 199 R CA 1.017 57.056 56.100 -0.102 0.000 0.968 199 R CB -1.265 28.975 30.300 -0.099 0.000 0.861 199 R HN 0.424 nan 8.270 nan 0.000 0.440 200 L N 0.718 121.859 121.223 -0.136 0.000 2.046 200 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 200 L C 1.276 178.094 176.870 -0.086 0.000 1.077 200 L CA 2.081 56.856 54.840 -0.108 0.000 0.747 200 L CB -0.661 41.342 42.059 -0.093 0.000 0.896 200 L HN 0.220 nan 8.230 nan 0.000 0.432 201 D N -0.767 119.572 120.400 -0.102 0.000 2.178 201 D HA -0.221 4.419 4.640 -0.000 0.000 0.202 201 D C 1.905 178.181 176.300 -0.041 0.000 0.974 201 D CA 1.332 55.293 54.000 -0.065 0.000 0.841 201 D CB 0.140 40.898 40.800 -0.071 0.000 0.953 201 D HN 0.636 nan 8.370 nan 0.000 0.478 202 E N 0.967 121.141 120.200 -0.044 0.000 2.072 202 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 202 E C 1.642 178.248 176.600 0.010 0.000 0.985 202 E CA 0.836 57.238 56.400 0.004 0.000 0.801 202 E CB 0.181 29.887 29.700 0.009 0.000 0.750 202 E HN 0.036 nan 8.360 nan 0.000 0.452 203 N N 0.729 119.409 118.700 -0.035 0.000 2.120 203 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 203 N C 1.809 177.295 175.510 -0.040 0.000 1.024 203 N CA 1.112 54.124 53.050 -0.064 0.000 0.852 203 N CB -0.266 38.154 38.487 -0.113 0.000 1.003 203 N HN 0.205 nan 8.380 nan 0.000 0.424 204 R N 0.536 121.024 120.500 -0.020 0.000 2.092 204 R HA 0.086 4.426 4.340 -0.000 0.000 0.231 204 R C 2.175 178.533 176.300 0.097 0.000 1.119 204 R CA 1.192 57.301 56.100 0.015 0.000 0.970 204 R CB -0.282 30.019 30.300 0.001 0.000 0.864 204 R HN 0.174 nan 8.270 nan 0.000 0.440 205 A N 1.427 124.318 122.820 0.119 0.000 1.902 205 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 205 A C 2.047 179.843 177.584 0.352 0.000 1.181 205 A CA 1.404 53.618 52.037 0.295 0.000 0.623 205 A CB -0.327 18.817 19.000 0.239 0.000 0.818 205 A HN 0.198 nan 8.150 nan 0.000 0.443 206 K N -0.636 119.878 120.400 0.189 0.000 2.063 206 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 206 K C 2.174 178.844 176.600 0.116 0.000 1.048 206 K CA 1.615 57.979 56.287 0.128 0.000 0.928 206 K CB -0.502 32.022 32.500 0.041 0.000 0.713 206 K HN 0.562 nan 8.250 nan 0.000 0.442 207 C N 1.137 120.490 119.300 0.088 0.000 2.432 207 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 207 C C 2.652 177.737 174.990 0.158 0.000 1.249 207 C CA 0.877 59.949 59.018 0.091 0.000 1.725 207 C CB -0.693 27.071 27.740 0.039 0.000 2.028 207 C HN 0.512 nan 8.230 nan 0.000 0.477 208 Q N 0.448 120.393 119.800 0.242 0.000 2.119 208 Q HA -0.043 4.297 4.340 -0.000 0.000 0.201 208 Q C 2.266 178.459 176.000 0.322 0.000 0.972 208 Q CA 1.392 57.403 55.803 0.347 0.000 0.847 208 Q CB -0.549 28.503 28.738 0.524 0.000 0.903 208 Q HN 0.715 nan 8.270 nan 0.000 0.433 209 L N 0.001 121.373 121.223 0.248 0.000 2.056 209 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 209 L C 2.440 179.309 176.870 -0.001 0.000 1.078 209 L CA 1.053 55.935 54.840 0.070 0.000 0.749 209 L CB -0.615 41.458 42.059 0.023 0.000 0.901 209 L HN 0.115 nan 8.230 nan 0.000 0.433 210 A N -0.108 122.738 122.820 0.043 0.000 1.877 210 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 210 A C 2.197 179.780 177.584 -0.001 0.000 1.186 210 A CA 1.521 53.570 52.037 0.019 0.000 0.620 210 A CB -0.663 18.365 19.000 0.047 0.000 0.822 210 A HN 0.277 nan 8.150 nan 0.000 0.443 211 L N -0.142 121.096 121.223 0.025 0.000 1.970 211 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 211 L C 2.397 179.209 176.870 -0.097 0.000 1.071 211 L CA 2.743 57.585 54.840 0.003 0.000 0.751 211 L CB -0.599 41.492 42.059 0.053 0.000 0.889 211 L HN 0.383 nan 8.230 nan 0.000 0.432 212 K N 0.150 120.434 120.400 -0.194 0.000 2.052 212 K HA -0.201 4.119 4.320 -0.000 0.000 0.215 212 K C 1.798 178.187 176.600 -0.353 0.000 1.053 212 K CA 2.170 58.177 56.287 -0.467 0.000 0.934 212 K CB -0.888 30.997 32.500 -1.025 0.000 0.717 212 K HN 0.412 nan 8.250 nan 0.000 0.450 213 A N -0.714 121.952 122.820 -0.256 0.000 2.239 213 A HA 0.225 4.545 4.320 -0.000 0.000 0.209 213 A C 1.322 178.838 177.584 -0.113 0.000 1.171 213 A CA 0.996 52.927 52.037 -0.176 0.000 0.768 213 A CB -0.846 18.078 19.000 -0.126 0.000 0.790 213 A HN 0.687 nan 8.150 nan 0.000 0.478 214 G N -1.230 107.513 108.800 -0.097 0.000 2.221 214 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.265 214 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.265 214 G C 0.057 174.942 174.900 -0.025 0.000 1.041 214 G CA 0.442 45.508 45.100 -0.056 0.000 0.807 214 G HN 0.846 nan 8.290 nan 0.000 0.502 215 V N -0.469 119.440 119.914 -0.008 0.000 3.113 215 V HA 0.803 4.923 4.120 -0.000 0.000 0.316 215 V C 0.231 176.373 176.094 0.081 0.000 1.125 215 V CA -1.259 61.056 62.300 0.025 0.000 1.026 215 V CB 1.854 33.681 31.823 0.006 0.000 1.080 215 V HN 0.269 nan 8.190 nan 0.000 0.444 216 F N 1.669 121.550 119.950 -0.114 0.000 2.382 216 F HA 0.354 4.881 4.527 -0.000 0.000 0.331 216 F C 1.078 176.792 175.800 -0.143 0.000 1.121 216 F CA -1.163 56.708 58.000 -0.216 0.000 1.183 216 F CB 1.050 39.876 39.000 -0.291 0.000 1.207 216 F HN 0.634 nan 8.300 nan 0.000 0.555 217 Y N 0.305 120.210 120.300 -0.659 0.000 2.315 217 Y HA -0.127 4.423 4.550 -0.000 0.000 0.288 217 Y C 1.668 177.395 175.900 -0.287 0.000 1.154 217 Y CA 1.023 58.862 58.100 -0.434 0.000 1.229 217 Y CB -1.744 36.436 38.460 -0.467 0.000 0.980 217 Y HN 0.494 nan 8.280 nan 0.000 0.540 218 D N 0.301 120.654 120.400 -0.078 0.000 2.378 218 D HA -0.085 4.555 4.640 -0.000 0.000 0.227 218 D C 0.844 177.170 176.300 0.042 0.000 1.012 218 D CA 0.681 54.721 54.000 0.066 0.000 0.905 218 D CB -0.351 40.521 40.800 0.120 0.000 0.895 218 D HN 0.356 nan 8.370 nan 0.000 0.532 219 K N -0.136 120.280 120.400 0.026 0.000 2.498 219 K HA 0.279 4.599 4.320 -0.000 0.000 0.207 219 K C -0.983 175.620 176.600 0.004 0.000 1.033 219 K CA -0.182 56.117 56.287 0.020 0.000 1.138 219 K CB 1.153 33.670 32.500 0.030 0.000 0.860 219 K HN -0.027 nan 8.250 nan 0.000 0.490 220 V N 0.929 120.845 119.914 0.003 0.000 2.588 220 V HA 0.483 4.603 4.120 -0.000 0.000 0.304 220 V C -0.362 175.717 176.094 -0.026 0.000 1.042 220 V CA -0.812 61.486 62.300 -0.003 0.000 0.877 220 V CB 1.654 33.490 31.823 0.021 0.000 0.996 220 V HN 0.279 nan 8.190 nan 0.000 0.425 221 S N 2.554 118.218 115.700 -0.060 0.000 2.720 221 S HA 0.559 5.029 4.470 -0.000 0.000 0.287 221 S C -0.078 174.394 174.600 -0.213 0.000 1.168 221 S CA -0.644 57.478 58.200 -0.131 0.000 0.832 221 S CB 1.779 64.883 63.200 -0.160 0.000 1.166 221 S HN 0.762 nan 8.310 nan 0.000 0.493 222 N N -0.674 117.759 118.700 -0.445 0.000 2.735 222 N HA -0.119 4.620 4.740 -0.000 0.000 0.248 222 N C -0.837 174.601 175.510 -0.120 0.000 1.083 222 N CA 0.735 53.293 53.050 -0.819 0.000 0.703 222 N CB -1.229 36.718 38.487 -0.900 0.000 1.005 222 N HN 0.540 nan 8.380 nan 0.000 0.550 223 V N 1.547 121.481 119.914 0.033 0.000 2.389 223 V HA 0.178 4.298 4.120 -0.000 0.000 0.264 223 V C 0.780 177.045 176.094 0.284 0.000 1.049 223 V CA 0.226 62.646 62.300 0.200 0.000 0.932 223 V CB 1.458 33.373 31.823 0.154 0.000 1.011 223 V HN 0.106 nan 8.190 nan 0.000 0.475 224 T N 6.494 121.235 114.554 0.312 0.000 2.855 224 T HA 0.589 4.939 4.350 -0.000 0.000 0.281 224 T C -0.338 174.369 174.700 0.011 0.000 1.007 224 T CA -0.434 61.714 62.100 0.081 0.000 1.009 224 T CB 1.516 70.264 68.868 -0.200 0.000 0.983 224 T HN 0.251 nan 8.240 nan 0.000 0.455 225 I N 2.853 123.351 120.570 -0.120 0.000 2.355 225 I HA 0.369 4.539 4.170 -0.000 0.000 0.288 225 I C -0.860 175.162 176.117 -0.158 0.000 0.999 225 I CA -0.982 60.279 61.300 -0.065 0.000 1.163 225 I CB 1.002 38.952 38.000 -0.084 0.000 1.316 225 I HN 0.683 nan 8.210 nan 0.000 0.454 226 W N 4.547 125.755 121.300 -0.153 0.000 2.509 226 W HA 0.680 5.340 4.660 -0.000 0.000 0.351 226 W C 1.020 177.256 176.519 -0.472 0.000 1.107 226 W CA 0.536 57.755 57.345 -0.210 0.000 1.264 226 W CB 0.857 30.271 29.460 -0.077 0.000 1.312 226 W HN 0.832 nan 8.180 nan 0.000 0.608 227 G N 1.366 109.659 108.800 -0.845 0.000 2.542 227 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.235 227 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.235 227 G C -0.555 173.860 174.900 -0.808 0.000 1.286 227 G CA -0.448 43.695 45.100 -1.596 0.000 0.904 227 G HN 0.677 nan 8.290 nan 0.000 0.577 228 N N 0.326 118.716 118.700 -0.517 0.000 2.529 228 N HA 0.274 5.014 4.740 -0.000 0.000 0.278 228 N C 0.390 175.832 175.510 -0.113 0.000 1.146 228 N CA 0.100 53.006 53.050 -0.241 0.000 0.980 228 N CB 0.346 38.732 38.487 -0.168 0.000 1.124 228 N HN 0.698 nan 8.380 nan 0.000 0.458 229 H N 2.309 121.281 119.070 -0.164 0.000 3.198 229 H HA 0.227 4.783 4.556 -0.000 0.000 0.255 229 H C -0.486 174.776 175.328 -0.110 0.000 1.729 229 H CA -0.151 55.821 56.048 -0.126 0.000 1.495 229 H CB -0.233 29.470 29.762 -0.099 0.000 1.807 229 H HN 0.628 nan 8.280 nan 0.000 0.554 230 S N 1.334 116.979 115.700 -0.092 0.000 2.873 230 S HA -0.014 4.456 4.470 -0.000 0.000 0.303 230 S C 0.849 175.385 174.600 -0.105 0.000 1.222 230 S CA -0.308 57.798 58.200 -0.156 0.000 0.923 230 S CB 1.262 64.379 63.200 -0.138 0.000 1.286 230 S HN 0.255 nan 8.310 nan 0.000 0.571 231 T N 0.807 115.300 114.554 -0.102 0.000 3.098 231 T HA 0.059 4.409 4.350 -0.000 0.000 0.266 231 T C 1.342 175.989 174.700 -0.089 0.000 1.145 231 T CA 1.840 63.889 62.100 -0.086 0.000 1.092 231 T CB -1.210 67.612 68.868 -0.076 0.000 0.908 231 T HN 0.881 nan 8.240 nan 0.000 0.526 232 T N -0.127 114.368 114.554 -0.098 0.000 3.145 232 T HA 0.204 4.554 4.350 -0.000 0.000 0.255 232 T C 0.671 175.298 174.700 -0.122 0.000 1.039 232 T CA -0.670 61.366 62.100 -0.107 0.000 0.928 232 T CB -0.285 68.520 68.868 -0.106 0.000 1.029 232 T HN 0.659 nan 8.240 nan 0.000 0.554 233 Q N 0.945 120.680 119.800 -0.108 0.000 2.395 233 Q HA 0.376 4.716 4.340 -0.000 0.000 0.271 233 Q C -0.918 175.026 176.000 -0.094 0.000 1.026 233 Q CA -0.514 55.225 55.803 -0.107 0.000 0.900 233 Q CB 0.670 29.370 28.738 -0.063 0.000 1.266 233 Q HN 0.179 nan 8.270 nan 0.000 0.430 234 V N 3.317 123.198 119.914 -0.055 0.000 2.326 234 V HA 0.334 4.454 4.120 -0.000 0.000 0.281 234 V C -2.306 173.831 176.094 0.071 0.000 1.015 234 V CA -2.018 60.274 62.300 -0.014 0.000 0.823 234 V CB 1.058 32.869 31.823 -0.021 0.000 1.009 234 V HN 0.766 nan 8.190 nan 0.000 0.436 235 P HA 0.247 nan 4.420 nan 0.000 0.282 235 P C -0.890 176.545 177.300 0.224 0.000 1.262 235 P CA -0.121 63.006 63.100 0.045 0.000 0.773 235 P CB 0.657 32.156 31.700 -0.335 0.000 0.879 236 D N 3.125 123.711 120.400 0.309 0.000 2.373 236 D HA 0.132 4.772 4.640 -0.000 0.000 0.227 236 D C 0.198 176.652 176.300 0.256 0.000 1.091 236 D CA -0.603 53.530 54.000 0.221 0.000 0.840 236 D CB 0.263 41.333 40.800 0.449 0.000 1.060 236 D HN 0.227 nan 8.370 nan 0.000 0.502 237 F N 2.857 123.039 119.950 0.386 0.000 2.619 237 F HA 0.147 4.674 4.527 -0.000 0.000 0.293 237 F C 1.646 177.567 175.800 0.202 0.000 1.119 237 F CA -0.481 57.677 58.000 0.262 0.000 1.445 237 F CB -0.712 38.392 39.000 0.173 0.000 1.119 237 F HN 0.324 nan 8.300 nan 0.000 0.573 238 L N 1.682 122.855 121.223 -0.084 0.000 2.081 238 L HA -0.152 4.187 4.340 -0.000 0.000 0.212 238 L C 1.566 178.546 176.870 0.182 0.000 1.080 238 L CA 1.965 56.864 54.840 0.098 0.000 0.754 238 L CB -0.904 41.139 42.059 -0.028 0.000 0.893 238 L HN 0.205 nan 8.230 nan 0.000 0.433 239 N N -0.385 118.455 118.700 0.234 0.000 2.325 239 N HA 0.206 4.946 4.740 -0.000 0.000 0.182 239 N C 0.652 176.317 175.510 0.259 0.000 1.088 239 N CA 0.643 53.891 53.050 0.330 0.000 0.879 239 N CB 0.120 38.940 38.487 0.554 0.000 0.983 239 N HN 0.414 nan 8.380 nan 0.000 0.471 240 A N 1.235 124.193 122.820 0.230 0.000 2.346 240 A HA 0.372 4.692 4.320 -0.000 0.000 0.252 240 A C 0.293 177.917 177.584 0.067 0.000 1.089 240 A CA 0.269 52.388 52.037 0.136 0.000 0.797 240 A CB 0.586 19.700 19.000 0.191 0.000 1.047 240 A HN 0.064 nan 8.150 nan 0.000 0.494 241 K N -0.241 120.160 120.400 0.002 0.000 2.477 241 K HA 0.624 4.944 4.320 -0.000 0.000 0.255 241 K C -1.670 174.923 176.600 -0.011 0.000 0.952 241 K CA -0.387 55.894 56.287 -0.010 0.000 0.826 241 K CB 2.339 34.808 32.500 -0.052 0.000 1.331 241 K HN 0.556 nan 8.250 nan 0.000 0.437 242 I N 2.033 122.598 120.570 -0.008 0.000 2.448 242 I HA 0.077 4.247 4.170 -0.000 0.000 0.281 242 I C -0.724 175.385 176.117 -0.012 0.000 1.027 242 I CA -0.255 61.038 61.300 -0.011 0.000 1.111 242 I CB 1.416 39.407 38.000 -0.015 0.000 1.236 242 I HN 0.767 nan 8.210 nan 0.000 0.452 243 D N 5.342 125.734 120.400 -0.013 0.000 2.699 243 D HA -0.185 4.455 4.640 -0.000 0.000 0.239 243 D C 1.118 177.411 176.300 -0.013 0.000 1.136 243 D CA 1.642 55.636 54.000 -0.010 0.000 0.668 243 D CB -0.603 40.193 40.800 -0.007 0.000 1.060 243 D HN 1.076 nan 8.370 nan 0.000 0.429 244 G N -0.440 108.348 108.800 -0.020 0.000 2.304 244 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.252 244 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.252 244 G C 0.582 175.476 174.900 -0.011 0.000 1.014 244 G CA 0.465 45.554 45.100 -0.019 0.000 0.619 244 G HN 0.607 nan 8.290 nan 0.000 0.525 245 R N 1.211 121.707 120.500 -0.006 0.000 2.457 245 R HA 0.447 4.787 4.340 -0.000 0.000 0.284 245 R C -2.506 173.802 176.300 0.013 0.000 1.024 245 R CA -1.843 54.259 56.100 0.003 0.000 1.025 245 R CB 0.877 31.177 30.300 0.001 0.000 1.063 245 R HN 0.104 nan 8.270 nan 0.000 0.493 246 P HA -0.081 nan 4.420 nan 0.000 0.267 246 P C 0.772 178.105 177.300 0.055 0.000 1.200 246 P CA 0.063 63.196 63.100 0.054 0.000 0.772 246 P CB 0.612 32.351 31.700 0.066 0.000 0.855 247 V N 3.544 123.510 119.914 0.086 0.000 2.407 247 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 247 V C 1.921 178.050 176.094 0.059 0.000 1.055 247 V CA 1.880 64.227 62.300 0.077 0.000 1.049 247 V CB -0.941 30.965 31.823 0.138 0.000 0.662 247 V HN 0.628 nan 8.190 nan 0.000 0.455 248 K N -0.368 120.094 120.400 0.104 0.000 2.362 248 K HA -0.133 4.187 4.320 -0.000 0.000 0.200 248 K C 1.911 178.526 176.600 0.025 0.000 1.046 248 K CA 1.083 57.411 56.287 0.068 0.000 0.952 248 K CB -0.065 32.509 32.500 0.124 0.000 0.753 248 K HN 0.567 nan 8.250 nan 0.000 0.466 249 E N -0.094 120.121 120.200 0.025 0.000 2.385 249 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 249 E C 1.569 178.162 176.600 -0.011 0.000 1.013 249 E CA 0.316 56.721 56.400 0.008 0.000 0.866 249 E CB 0.523 30.231 29.700 0.014 0.000 0.832 249 E HN 0.030 nan 8.360 nan 0.000 0.500 250 V N 0.958 120.861 119.914 -0.018 0.000 2.521 250 V HA 0.034 4.154 4.120 -0.000 0.000 0.239 250 V C 1.076 177.128 176.094 -0.069 0.000 1.053 250 V CA 0.580 62.856 62.300 -0.040 0.000 1.073 250 V CB 0.258 32.058 31.823 -0.039 0.000 0.746 250 V HN 0.114 nan 8.190 nan 0.000 0.476 251 I N 1.339 121.859 120.570 -0.083 0.000 2.312 251 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 251 I C 1.032 177.090 176.117 -0.098 0.000 1.031 251 I CA 0.107 61.329 61.300 -0.130 0.000 1.293 251 I CB 0.974 38.869 38.000 -0.175 0.000 1.403 251 I HN 0.137 nan 8.210 nan 0.000 0.484 252 K N 5.056 125.399 120.400 -0.094 0.000 2.367 252 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 252 K C 0.923 177.486 176.600 -0.062 0.000 1.027 252 K CA -0.046 56.200 56.287 -0.068 0.000 1.075 252 K CB 0.243 32.711 32.500 -0.054 0.000 0.845 252 K HN 0.440 nan 8.250 nan 0.000 0.529 253 R N 2.312 122.770 120.500 -0.071 0.000 2.609 253 R HA 0.025 4.365 4.340 -0.000 0.000 0.271 253 R C 0.309 176.614 176.300 0.009 0.000 1.403 253 R CA 0.095 56.180 56.100 -0.025 0.000 1.138 253 R CB -0.033 30.247 30.300 -0.032 0.000 1.142 253 R HN -0.053 nan 8.270 nan 0.000 0.559 254 T N 2.141 116.673 114.554 -0.035 0.000 2.759 254 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 254 T C 1.518 176.176 174.700 -0.070 0.000 1.042 254 T CA 1.431 63.478 62.100 -0.089 0.000 1.140 254 T CB -0.043 68.775 68.868 -0.083 0.000 0.864 254 T HN 0.370 nan 8.240 nan 0.000 0.455 255 K N 0.407 120.808 120.400 0.001 0.000 2.097 255 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 255 K C 1.834 178.469 176.600 0.059 0.000 1.049 255 K CA 1.251 57.552 56.287 0.024 0.000 0.933 255 K CB -0.643 31.886 32.500 0.048 0.000 0.717 255 K HN 0.556 nan 8.250 nan 0.000 0.442 256 W N 0.663 121.918 121.300 -0.076 0.000 2.378 256 W HA -0.077 4.583 4.660 -0.000 0.000 0.313 256 W C 1.496 177.976 176.519 -0.066 0.000 1.197 256 W CA 1.577 58.894 57.345 -0.046 0.000 1.304 256 W CB -0.281 29.140 29.460 -0.065 0.000 1.148 256 W HN 0.041 nan 8.180 nan 0.000 0.494 257 L N 0.413 121.664 121.223 0.046 0.000 2.081 257 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 257 L C 2.199 178.809 176.870 -0.432 0.000 1.080 257 L CA 1.919 56.501 54.840 -0.430 0.000 0.754 257 L CB -0.686 40.862 42.059 -0.850 0.000 0.893 257 L HN 0.093 nan 8.230 nan 0.000 0.433 258 E N -1.300 118.748 120.200 -0.252 0.000 2.340 258 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 258 E C 0.765 177.449 176.600 0.140 0.000 0.996 258 E CA 0.331 56.713 56.400 -0.030 0.000 0.869 258 E CB 0.497 30.071 29.700 -0.210 0.000 0.835 258 E HN 0.166 nan 8.360 nan 0.000 0.493 259 E N -0.408 119.798 120.200 0.010 0.000 3.313 259 E HA 0.131 4.480 4.350 -0.000 0.000 0.164 259 E C -0.255 176.303 176.600 -0.071 0.000 0.947 259 E CA 0.150 56.557 56.400 0.012 0.000 1.390 259 E CB 0.569 30.300 29.700 0.053 0.000 1.058 259 E HN 0.149 nan 8.360 nan 0.000 0.436 260 E N -1.240 118.831 120.200 -0.216 0.000 2.684 260 E HA 0.054 4.404 4.350 -0.000 0.000 0.204 260 E C 1.236 177.560 176.600 -0.460 0.000 0.900 260 E CA -0.120 56.110 56.400 -0.283 0.000 1.481 260 E CB 0.140 29.686 29.700 -0.256 0.000 1.468 260 E HN 0.039 nan 8.360 nan 0.000 0.778 261 F N 2.780 122.087 119.950 -1.073 0.000 2.065 261 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 261 F C 2.128 177.696 175.800 -0.388 0.000 1.112 261 F CA 2.165 59.522 58.000 -1.073 0.000 1.212 261 F CB -0.791 37.453 39.000 -1.260 0.000 0.975 261 F HN -0.115 nan 8.300 nan 0.000 0.476 262 T N 1.877 116.151 114.554 -0.467 0.000 2.684 262 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 262 T C 2.217 176.760 174.700 -0.262 0.000 1.036 262 T CA 2.099 63.944 62.100 -0.425 0.000 1.148 262 T CB -0.557 68.194 68.868 -0.194 0.000 0.863 262 T HN 0.325 nan 8.240 nan 0.000 0.436 263 I N 1.162 121.627 120.570 -0.175 0.000 2.226 263 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 263 I C 2.678 178.746 176.117 -0.081 0.000 1.100 263 I CA 1.152 62.389 61.300 -0.104 0.000 1.374 263 I CB -0.731 37.229 38.000 -0.067 0.000 1.057 263 I HN 0.263 nan 8.210 nan 0.000 0.413 264 T N 0.441 114.947 114.554 -0.080 0.000 2.777 264 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 264 T C 2.037 176.727 174.700 -0.017 0.000 1.040 264 T CA 1.199 63.299 62.100 -0.000 0.000 1.141 264 T CB -0.281 68.645 68.868 0.097 0.000 0.868 264 T HN 0.100 nan 8.240 nan 0.000 0.444 265 V N 1.671 121.528 119.914 -0.095 0.000 2.261 265 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 265 V C 2.694 178.743 176.094 -0.074 0.000 1.047 265 V CA 1.947 64.188 62.300 -0.097 0.000 1.015 265 V CB -0.739 30.944 31.823 -0.233 0.000 0.642 265 V HN 0.506 nan 8.190 nan 0.000 0.446 266 Q N 0.043 119.784 119.800 -0.099 0.000 2.197 266 Q HA -0.263 4.077 4.340 -0.000 0.000 0.207 266 Q C 2.003 177.981 176.000 -0.038 0.000 0.984 266 Q CA 1.806 57.568 55.803 -0.068 0.000 0.869 266 Q CB -0.031 28.659 28.738 -0.080 0.000 0.906 266 Q HN 0.591 nan 8.270 nan 0.000 0.426 267 K N -0.513 119.870 120.400 -0.027 0.000 2.393 267 K HA 0.003 4.323 4.320 -0.000 0.000 0.193 267 K C 1.804 178.409 176.600 0.008 0.000 1.026 267 K CA -0.002 56.281 56.287 -0.007 0.000 1.064 267 K CB 0.249 32.749 32.500 -0.000 0.000 0.833 267 K HN -0.000 nan 8.250 nan 0.000 0.521 268 R N 1.436 121.941 120.500 0.009 0.000 2.096 268 R HA -0.139 4.201 4.340 -0.000 0.000 0.240 268 R C 2.086 178.398 176.300 0.020 0.000 1.139 268 R CA 2.129 58.240 56.100 0.019 0.000 0.952 268 R CB -1.013 29.297 30.300 0.016 0.000 0.854 268 R HN 0.282 nan 8.270 nan 0.000 0.436 269 G N -1.443 107.365 108.800 0.014 0.000 2.432 269 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 269 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 269 G C 1.476 176.393 174.900 0.028 0.000 1.135 269 G CA 0.745 45.857 45.100 0.020 0.000 0.767 269 G HN 0.535 nan 8.290 nan 0.000 0.550 270 G N 0.675 109.488 108.800 0.021 0.000 2.430 270 G HA2 0.179 4.139 3.960 -0.000 0.000 0.216 270 G HA3 0.179 4.139 3.960 -0.000 0.000 0.216 270 G C 1.899 176.820 174.900 0.035 0.000 1.146 270 G CA 1.185 46.299 45.100 0.024 0.000 0.793 270 G HN 0.586 nan 8.290 nan 0.000 0.537 271 A N 0.129 122.971 122.820 0.037 0.000 2.119 271 A HA 0.302 4.622 4.320 -0.000 0.000 0.217 271 A C 2.226 179.848 177.584 0.063 0.000 1.153 271 A CA 0.547 52.612 52.037 0.046 0.000 0.692 271 A CB -0.186 18.841 19.000 0.045 0.000 0.799 271 A HN 0.358 nan 8.150 nan 0.000 0.458 272 L N -0.177 121.086 121.223 0.068 0.000 2.270 272 L HA 0.000 4.340 4.340 -0.000 0.000 0.210 272 L C 2.420 179.378 176.870 0.146 0.000 1.104 272 L CA 0.799 55.700 54.840 0.102 0.000 0.804 272 L CB -0.281 41.822 42.059 0.074 0.000 0.937 272 L HN 0.651 nan 8.230 nan 0.000 0.450 273 I N -1.911 118.720 120.570 0.102 0.000 2.439 273 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 273 I C 2.464 178.620 176.117 0.066 0.000 1.139 273 I CA 1.186 62.539 61.300 0.089 0.000 1.438 273 I CB -0.546 37.487 38.000 0.055 0.000 1.085 273 I HN 0.344 nan 8.210 nan 0.000 0.427 274 Q N 1.531 121.367 119.800 0.060 0.000 2.123 274 Q HA -0.077 4.263 4.340 -0.000 0.000 0.199 274 Q C 1.726 177.759 176.000 0.056 0.000 0.966 274 Q CA 0.574 56.403 55.803 0.044 0.000 0.845 274 Q CB -0.220 28.540 28.738 0.038 0.000 0.907 274 Q HN 0.455 nan 8.270 nan 0.000 0.439 275 K N 1.040 121.495 120.400 0.093 0.000 2.015 275 K HA -0.117 4.203 4.320 -0.000 0.000 0.215 275 K C 1.745 178.447 176.600 0.169 0.000 1.027 275 K CA 0.955 57.314 56.287 0.121 0.000 0.960 275 K CB -1.181 31.402 32.500 0.139 0.000 0.798 275 K HN 0.427 nan 8.250 nan 0.000 0.447 276 W N 1.357 122.661 121.300 0.007 0.000 2.296 276 W HA -0.321 4.339 4.660 -0.000 0.000 0.296 276 W C 0.821 177.344 176.519 0.007 0.000 1.220 276 W CA 1.809 59.157 57.345 0.006 0.000 1.223 276 W CB 0.003 29.463 29.460 0.001 0.000 1.139 276 W HN 0.617 nan 8.180 nan 0.000 0.534 277 G N 0.764 109.552 108.800 -0.020 0.000 2.195 277 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 277 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 277 G C 0.264 175.087 174.900 -0.128 0.000 0.984 277 G CA 0.518 45.535 45.100 -0.138 0.000 0.633 277 G HN 0.452 nan 8.290 nan 0.000 0.525 278 R N -0.191 120.275 120.500 -0.057 0.000 2.902 278 R HA 0.595 4.935 4.340 -0.000 0.000 0.264 278 R C 0.966 177.438 176.300 0.285 0.000 1.059 278 R CA 0.180 56.318 56.100 0.064 0.000 0.935 278 R CB 0.027 30.305 30.300 -0.036 0.000 1.325 278 R HN 0.727 nan 8.270 nan 0.000 0.438 279 S N -0.094 115.739 115.700 0.221 0.000 2.572 279 S HA -0.035 4.435 4.470 -0.000 0.000 0.262 279 S C 0.240 174.947 174.600 0.179 0.000 1.375 279 S CA 0.215 58.522 58.200 0.177 0.000 0.996 279 S CB 0.485 63.760 63.200 0.125 0.000 0.892 279 S HN 0.593 nan 8.310 nan 0.000 0.562 280 S N -0.248 115.486 115.700 0.057 0.000 2.438 280 S HA 0.618 5.088 4.470 -0.000 0.000 0.227 280 S C 0.962 175.510 174.600 -0.087 0.000 1.265 280 S CA -0.330 57.840 58.200 -0.050 0.000 1.265 280 S CB 0.201 63.371 63.200 -0.050 0.000 0.987 280 S HN 1.006 nan 8.310 nan 0.000 0.502 281 A N 2.195 124.971 122.820 -0.073 0.000 1.902 281 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 281 A C 2.384 179.797 177.584 -0.284 0.000 1.181 281 A CA 1.565 53.550 52.037 -0.088 0.000 0.623 281 A CB -1.288 17.737 19.000 0.043 0.000 0.818 281 A HN 0.931 nan 8.150 nan 0.000 0.443 282 A N 0.450 122.929 122.820 -0.568 0.000 1.851 282 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 282 A C 2.551 179.939 177.584 -0.327 0.000 1.195 282 A CA 2.805 54.426 52.037 -0.694 0.000 0.622 282 A CB -1.170 17.431 19.000 -0.665 0.000 0.831 282 A HN 1.071 nan 8.150 nan 0.000 0.444 283 S N -1.357 114.188 115.700 -0.260 0.000 2.428 283 S HA -0.103 4.367 4.470 -0.000 0.000 0.230 283 S C 1.755 176.270 174.600 -0.142 0.000 1.014 283 S CA 1.698 59.787 58.200 -0.184 0.000 0.957 283 S CB -0.976 62.123 63.200 -0.169 0.000 0.784 283 S HN 0.502 nan 8.310 nan 0.000 0.499 284 T N 2.647 117.126 114.554 -0.124 0.000 2.777 284 T HA 0.137 4.487 4.350 -0.000 0.000 0.266 284 T C 2.211 176.865 174.700 -0.076 0.000 1.040 284 T CA 1.274 63.326 62.100 -0.080 0.000 1.141 284 T CB -0.718 68.125 68.868 -0.042 0.000 0.868 284 T HN 0.622 nan 8.240 nan 0.000 0.444 285 A N 0.949 123.724 122.820 -0.076 0.000 1.972 285 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 285 A C 2.546 180.083 177.584 -0.078 0.000 1.169 285 A CA 1.115 53.126 52.037 -0.044 0.000 0.635 285 A CB -0.925 18.088 19.000 0.021 0.000 0.810 285 A HN 0.356 nan 8.150 nan 0.000 0.446 286 V N 0.863 120.715 119.914 -0.103 0.000 2.295 286 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 286 V C 3.041 179.055 176.094 -0.133 0.000 1.049 286 V CA 2.408 64.637 62.300 -0.118 0.000 1.024 286 V CB -0.913 30.831 31.823 -0.132 0.000 0.648 286 V HN 0.827 nan 8.190 nan 0.000 0.447 287 S N 0.016 115.639 115.700 -0.127 0.000 2.399 287 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 287 S C 1.949 176.467 174.600 -0.138 0.000 1.022 287 S CA 1.631 59.753 58.200 -0.131 0.000 0.983 287 S CB -0.661 62.469 63.200 -0.117 0.000 0.803 287 S HN 0.543 nan 8.310 nan 0.000 0.480 288 I N 2.136 122.633 120.570 -0.121 0.000 2.252 288 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 288 I C 3.083 179.087 176.117 -0.187 0.000 1.102 288 I CA 1.071 62.295 61.300 -0.126 0.000 1.385 288 I CB -0.666 37.285 38.000 -0.083 0.000 1.064 288 I HN 0.437 nan 8.210 nan 0.000 0.414 289 A N 0.595 123.300 122.820 -0.190 0.000 1.902 289 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 289 A C 1.952 179.363 177.584 -0.289 0.000 1.181 289 A CA 1.922 53.807 52.037 -0.255 0.000 0.623 289 A CB -0.523 18.354 19.000 -0.204 0.000 0.818 289 A HN 0.339 nan 8.150 nan 0.000 0.443 290 D N 0.244 120.504 120.400 -0.233 0.000 2.097 290 D HA -0.069 4.571 4.640 -0.000 0.000 0.195 290 D C 2.274 178.398 176.300 -0.294 0.000 0.989 290 D CA 1.530 55.387 54.000 -0.238 0.000 0.827 290 D CB -0.556 40.133 40.800 -0.185 0.000 0.966 290 D HN 0.412 nan 8.370 nan 0.000 0.456 291 A N 0.935 123.595 122.820 -0.266 0.000 1.917 291 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 291 A C 2.397 179.757 177.584 -0.372 0.000 1.182 291 A CA 1.162 53.022 52.037 -0.294 0.000 0.633 291 A CB -0.773 18.106 19.000 -0.201 0.000 0.819 291 A HN 0.210 nan 8.150 nan 0.000 0.448 292 I N -1.167 119.168 120.570 -0.391 0.000 2.202 292 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 292 I C 2.513 178.298 176.117 -0.552 0.000 1.091 292 I CA 1.685 62.668 61.300 -0.528 0.000 1.368 292 I CB -0.267 37.256 38.000 -0.796 0.000 1.058 292 I HN 0.277 nan 8.210 nan 0.000 0.410 293 K N 0.687 120.775 120.400 -0.520 0.000 2.152 293 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 293 K C 2.134 178.516 176.600 -0.365 0.000 1.048 293 K CA 1.533 57.563 56.287 -0.429 0.000 0.933 293 K CB 0.020 32.313 32.500 -0.346 0.000 0.721 293 K HN 0.161 nan 8.250 nan 0.000 0.447 294 S N 0.553 115.968 115.700 -0.475 0.000 2.453 294 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 294 S C 1.531 175.777 174.600 -0.591 0.000 1.005 294 S CA 0.660 58.456 58.200 -0.674 0.000 0.949 294 S CB 0.022 62.416 63.200 -1.343 0.000 0.774 294 S HN 0.254 nan 8.310 nan 0.000 0.510 295 L N 0.104 121.099 121.223 -0.380 0.000 2.446 295 L HA 0.229 4.569 4.340 -0.000 0.000 0.219 295 L C 1.530 178.434 176.870 0.057 0.000 1.116 295 L CA 0.481 55.285 54.840 -0.060 0.000 0.844 295 L CB 0.172 42.291 42.059 0.100 0.000 0.970 295 L HN 0.167 nan 8.230 nan 0.000 0.457 296 V N -0.295 119.594 119.914 -0.042 0.000 3.214 296 V HA 0.168 4.288 4.120 -0.000 0.000 0.330 296 V C 0.178 176.260 176.094 -0.019 0.000 1.403 296 V CA 0.291 62.600 62.300 0.016 0.000 1.143 296 V CB 0.379 32.193 31.823 -0.015 0.000 1.098 296 V HN 0.484 nan 8.190 nan 0.000 0.463 297 T N -1.523 113.009 114.554 -0.036 0.000 2.933 297 T HA 0.597 4.947 4.350 -0.000 0.000 0.305 297 T C -3.242 171.471 174.700 0.022 0.000 1.092 297 T CA -2.059 60.029 62.100 -0.019 0.000 1.008 297 T CB 1.977 70.809 68.868 -0.060 0.000 1.102 297 T HN -0.051 nan 8.240 nan 0.000 0.469 298 P HA 0.247 nan 4.420 nan 0.000 0.268 298 P C -0.153 177.198 177.300 0.085 0.000 1.204 298 P CA -0.089 63.055 63.100 0.074 0.000 0.768 298 P CB 0.165 31.901 31.700 0.060 0.000 0.842 299 T N 5.621 120.259 114.554 0.140 0.000 2.799 299 T HA 0.183 4.533 4.350 -0.000 0.000 0.296 299 T C -1.971 172.796 174.700 0.110 0.000 0.947 299 T CA -0.802 61.399 62.100 0.168 0.000 1.141 299 T CB -0.589 68.441 68.868 0.270 0.000 0.891 299 T HN 0.305 nan 8.240 nan 0.000 0.533 300 P HA -0.009 nan 4.420 nan 0.000 0.263 300 P C 0.265 177.593 177.300 0.046 0.000 1.175 300 P CA -0.089 63.039 63.100 0.046 0.000 0.761 300 P CB 0.365 32.080 31.700 0.024 0.000 0.794 301 E N 2.147 122.370 120.200 0.038 0.000 2.608 301 E HA -0.007 4.343 4.350 -0.000 0.000 0.259 301 E C 1.276 177.888 176.600 0.021 0.000 0.951 301 E CA 1.047 57.470 56.400 0.038 0.000 0.945 301 E CB -0.455 29.263 29.700 0.030 0.000 0.916 301 E HN 0.759 nan 8.360 nan 0.000 0.477 302 G N 3.997 112.819 108.800 0.037 0.000 2.304 302 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 302 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 302 G C 0.389 175.246 174.900 -0.070 0.000 1.014 302 G CA 0.411 45.516 45.100 0.008 0.000 0.619 302 G HN 0.685 nan 8.290 nan 0.000 0.525 303 D N -0.232 120.123 120.400 -0.075 0.000 2.478 303 D HA 0.622 5.262 4.640 -0.000 0.000 0.269 303 D C 0.519 176.818 176.300 -0.001 0.000 1.232 303 D CA 0.587 54.468 54.000 -0.198 0.000 1.059 303 D CB 0.691 41.425 40.800 -0.111 0.000 1.104 303 D HN 0.715 nan 8.370 nan 0.000 0.566 304 W N -0.603 120.707 121.300 0.016 0.000 2.926 304 W HA 0.519 5.179 4.660 -0.000 0.000 0.361 304 W C -2.033 174.475 176.519 -0.019 0.000 1.195 304 W CA -1.446 55.851 57.345 -0.079 0.000 1.177 304 W CB -0.193 29.151 29.460 -0.193 0.000 1.453 304 W HN 0.244 nan 8.180 nan 0.000 0.571 305 F N -0.316 119.836 119.950 0.338 0.000 2.626 305 F HA 0.890 5.417 4.527 -0.000 0.000 0.311 305 F C -0.520 175.300 175.800 0.033 0.000 1.088 305 F CA -1.760 56.333 58.000 0.155 0.000 0.949 305 F CB 1.384 40.410 39.000 0.043 0.000 1.322 305 F HN 0.308 nan 8.300 nan 0.000 0.461 306 S N 0.701 116.499 115.700 0.163 0.000 2.554 306 S HA 0.709 5.179 4.470 -0.000 0.000 0.278 306 S C -0.482 174.148 174.600 0.050 0.000 1.242 306 S CA -0.514 57.664 58.200 -0.037 0.000 1.051 306 S CB 1.462 64.609 63.200 -0.089 0.000 0.986 306 S HN 0.917 nan 8.310 nan 0.000 0.502 307 T N 1.056 115.581 114.554 -0.048 0.000 3.225 307 T HA 0.479 4.829 4.350 -0.000 0.000 0.356 307 T C -0.318 174.357 174.700 -0.041 0.000 1.460 307 T CA -0.549 61.564 62.100 0.022 0.000 1.126 307 T CB 0.731 69.720 68.868 0.202 0.000 1.321 307 T HN 0.782 nan 8.240 nan 0.000 0.478 308 G N 2.706 111.495 108.800 -0.018 0.000 2.356 308 G HA2 0.546 4.506 3.960 -0.000 0.000 0.273 308 G HA3 0.546 4.506 3.960 -0.000 0.000 0.273 308 G C -0.460 174.434 174.900 -0.010 0.000 1.213 308 G CA -0.076 45.013 45.100 -0.018 0.000 0.955 308 G HN 0.778 nan 8.290 nan 0.000 0.454 309 V N 2.739 122.658 119.914 0.008 0.000 3.160 309 V HA 0.390 4.510 4.120 -0.000 0.000 0.310 309 V C -0.941 175.249 176.094 0.160 0.000 1.181 309 V CA -1.155 61.147 62.300 0.004 0.000 1.047 309 V CB 2.242 33.971 31.823 -0.157 0.000 1.068 309 V HN 0.679 nan 8.190 nan 0.000 0.441 310 Y N 1.506 121.841 120.300 0.058 0.000 2.632 310 Y HA 0.102 4.652 4.550 -0.000 0.000 0.329 310 Y C 1.682 177.628 175.900 0.076 0.000 1.174 310 Y CA 0.866 59.004 58.100 0.062 0.000 1.469 310 Y CB 1.375 39.867 38.460 0.054 0.000 1.242 310 Y HN 0.834 nan 8.280 nan 0.000 0.540 311 T N -0.401 113.975 114.554 -0.297 0.000 3.043 311 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 311 T C 0.726 175.251 174.700 -0.292 0.000 1.094 311 T CA 0.510 62.473 62.100 -0.229 0.000 1.127 311 T CB -0.571 68.169 68.868 -0.212 0.000 0.905 311 T HN 0.594 nan 8.240 nan 0.000 0.490 312 T N 2.483 116.711 114.554 -0.544 0.000 2.822 312 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 312 T C 1.428 176.067 174.700 -0.102 0.000 0.991 312 T CA 1.027 62.953 62.100 -0.289 0.000 1.176 312 T CB -0.199 68.545 68.868 -0.207 0.000 0.951 312 T HN 0.846 nan 8.240 nan 0.000 0.526 313 G N 3.585 112.331 108.800 -0.090 0.000 2.157 313 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.239 313 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.239 313 G C 0.035 174.875 174.900 -0.100 0.000 0.982 313 G CA -0.109 44.951 45.100 -0.068 0.000 0.650 313 G HN 1.032 nan 8.290 nan 0.000 0.527 314 N N 0.661 119.287 118.700 -0.123 0.000 2.508 314 N HA 0.535 5.275 4.740 -0.000 0.000 0.264 314 N C -0.901 174.442 175.510 -0.277 0.000 1.216 314 N CA -1.069 51.862 53.050 -0.198 0.000 0.943 314 N CB 1.174 39.600 38.487 -0.102 0.000 1.113 314 N HN 0.118 nan 8.380 nan 0.000 0.447 315 P HA 0.067 nan 4.420 nan 0.000 0.261 315 P C -0.599 176.510 177.300 -0.318 0.000 1.352 315 P CA 0.326 63.187 63.100 -0.397 0.000 0.891 315 P CB -0.056 31.410 31.700 -0.390 0.000 1.383 316 Y N -0.422 119.895 120.300 0.028 0.000 2.468 316 Y HA 0.433 4.983 4.550 -0.000 0.000 0.268 316 Y C 1.887 177.838 175.900 0.085 0.000 1.177 316 Y CA -0.106 58.026 58.100 0.053 0.000 1.265 316 Y CB -0.614 37.903 38.460 0.095 0.000 1.103 316 Y HN 0.065 nan 8.280 nan 0.000 0.522 317 G N 0.930 109.810 108.800 0.134 0.000 2.160 317 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 317 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 317 G C 0.064 175.036 174.900 0.120 0.000 1.008 317 G CA 0.079 45.272 45.100 0.155 0.000 0.724 317 G HN 0.366 nan 8.290 nan 0.000 0.514 318 I N 1.192 121.758 120.570 -0.006 0.000 2.472 318 I HA 0.506 4.676 4.170 -0.000 0.000 0.290 318 I C 1.330 177.329 176.117 -0.197 0.000 1.016 318 I CA -0.353 60.816 61.300 -0.219 0.000 1.348 318 I CB 1.323 39.072 38.000 -0.418 0.000 1.417 318 I HN 0.330 nan 8.210 nan 0.000 0.521 319 A N 5.996 128.682 122.820 -0.223 0.000 2.547 319 A HA 0.077 4.396 4.320 -0.000 0.000 0.233 319 A C 0.247 177.726 177.584 -0.176 0.000 1.067 319 A CA 0.146 52.088 52.037 -0.158 0.000 0.763 319 A CB 0.053 18.972 19.000 -0.135 0.000 1.007 319 A HN 0.791 nan 8.150 nan 0.000 0.506 320 E N -0.494 119.614 120.200 -0.154 0.000 2.330 320 E HA 0.340 4.690 4.350 -0.000 0.000 0.256 320 E C -0.535 175.933 176.600 -0.220 0.000 1.146 320 E CA -0.286 55.987 56.400 -0.212 0.000 0.945 320 E CB 0.487 30.084 29.700 -0.172 0.000 1.182 320 E HN 0.712 nan 8.360 nan 0.000 0.480 321 D N -0.079 120.101 120.400 -0.366 0.000 2.800 321 D HA -0.166 4.474 4.640 -0.000 0.000 0.232 321 D C -1.111 175.123 176.300 -0.109 0.000 1.137 321 D CA 0.928 54.793 54.000 -0.225 0.000 0.718 321 D CB -1.293 39.486 40.800 -0.036 0.000 1.084 321 D HN 0.436 nan 8.370 nan 0.000 0.432 322 I N -5.219 115.233 120.570 -0.196 0.000 3.195 322 I HA 0.643 4.813 4.170 -0.000 0.000 0.313 322 I C -0.592 175.558 176.117 0.054 0.000 1.237 322 I CA -1.353 59.942 61.300 -0.009 0.000 0.963 322 I CB 2.054 40.067 38.000 0.021 0.000 1.278 322 I HN -0.248 nan 8.210 nan 0.000 0.460 323 V N 2.862 122.850 119.914 0.124 0.000 2.328 323 V HA 0.465 4.585 4.120 -0.000 0.000 0.278 323 V C -1.036 175.162 176.094 0.173 0.000 1.021 323 V CA -0.164 62.224 62.300 0.145 0.000 0.838 323 V CB 0.840 32.724 31.823 0.101 0.000 0.999 323 V HN 0.542 nan 8.190 nan 0.000 0.447 324 F N 3.486 123.439 119.950 0.005 0.000 2.557 324 F HA 0.514 5.041 4.527 -0.000 0.000 0.316 324 F C 0.363 176.161 175.800 -0.004 0.000 1.141 324 F CA -0.320 57.685 58.000 0.008 0.000 0.922 324 F CB 2.142 41.154 39.000 0.020 0.000 1.194 324 F HN 0.402 nan 8.300 nan 0.000 0.443 325 S N 6.822 122.438 115.700 -0.139 0.000 2.516 325 S HA 0.589 5.059 4.470 -0.000 0.000 0.282 325 S C -0.374 174.177 174.600 -0.082 0.000 1.286 325 S CA -0.073 58.054 58.200 -0.122 0.000 1.066 325 S CB -0.067 63.010 63.200 -0.205 0.000 0.884 325 S HN 0.652 nan 8.310 nan 0.000 0.491 326 M N 5.531 124.998 119.600 -0.223 0.000 2.631 326 M HA 0.478 4.958 4.480 -0.000 0.000 0.288 326 M C -2.600 173.245 176.300 -0.758 0.000 1.260 326 M CA -2.292 52.679 55.300 -0.547 0.000 0.842 326 M CB 2.536 35.071 32.600 -0.109 0.000 1.743 326 M HN 0.395 nan 8.290 nan 0.000 0.461 327 P HA 0.243 nan 4.420 nan 0.000 0.276 327 P C -1.251 175.612 177.300 -0.728 0.000 1.243 327 P CA -0.196 62.238 63.100 -1.110 0.000 0.768 327 P CB 0.495 31.109 31.700 -1.810 0.000 0.856 328 C N 4.202 123.064 119.300 -0.731 0.000 2.779 328 C HA 0.603 5.063 4.460 -0.000 0.000 0.314 328 C C 0.457 174.961 174.990 -0.810 0.000 1.231 328 C CA -0.601 58.015 59.018 -0.670 0.000 1.652 328 C CB 2.387 29.713 27.740 -0.690 0.000 2.198 328 C HN 0.589 nan 8.230 nan 0.000 0.483 329 R N 0.630 120.962 120.500 -0.280 0.000 2.892 329 R HA 0.820 5.160 4.340 -0.000 0.000 0.265 329 R C -0.978 175.475 176.300 0.255 0.000 1.025 329 R CA -0.325 55.784 56.100 0.015 0.000 0.982 329 R CB 2.091 32.455 30.300 0.107 0.000 1.185 329 R HN 0.762 nan 8.270 nan 0.000 0.484 330 S N 0.577 116.498 115.700 0.370 0.000 2.535 330 S HA 0.320 4.790 4.470 -0.000 0.000 0.272 330 S C -1.406 173.326 174.600 0.220 0.000 1.149 330 S CA -0.910 57.495 58.200 0.343 0.000 0.888 330 S CB 1.195 64.682 63.200 0.478 0.000 1.110 330 S HN 0.461 nan 8.310 nan 0.000 0.463 331 K N 1.625 122.121 120.400 0.161 0.000 2.126 331 K HA 0.390 4.710 4.320 -0.000 0.000 0.257 331 K C 1.039 177.710 176.600 0.117 0.000 1.007 331 K CA -0.278 56.077 56.287 0.114 0.000 0.928 331 K CB 0.299 32.851 32.500 0.086 0.000 1.013 331 K HN 0.684 nan 8.250 nan 0.000 0.473 332 G N 1.958 110.812 108.800 0.090 0.000 3.392 332 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.247 332 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.247 332 G C -0.086 174.872 174.900 0.097 0.000 1.161 332 G CA -0.165 44.984 45.100 0.082 0.000 1.739 332 G HN 0.706 nan 8.290 nan 0.000 0.619 333 D N -1.684 118.782 120.400 0.109 0.000 2.424 333 D HA 0.242 4.881 4.640 -0.000 0.000 0.220 333 D C 1.601 177.976 176.300 0.125 0.000 1.150 333 D CA -0.068 53.995 54.000 0.104 0.000 0.831 333 D CB -0.057 40.786 40.800 0.072 0.000 0.981 333 D HN 0.327 nan 8.370 nan 0.000 0.500 334 G N -0.123 108.784 108.800 0.177 0.000 2.225 334 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 334 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 334 G C 0.047 175.037 174.900 0.151 0.000 0.988 334 G CA 0.336 45.553 45.100 0.197 0.000 0.625 334 G HN 0.634 nan 8.290 nan 0.000 0.527 335 D N -0.729 119.758 120.400 0.145 0.000 2.588 335 D HA 0.751 5.391 4.640 -0.000 0.000 0.268 335 D C 0.017 176.476 176.300 0.265 0.000 1.176 335 D CA -0.063 54.006 54.000 0.115 0.000 1.080 335 D CB 0.934 41.713 40.800 -0.034 0.000 1.186 335 D HN 0.764 nan 8.370 nan 0.000 0.619 336 Y N -2.682 117.718 120.300 0.166 0.000 2.713 336 Y HA 0.646 5.196 4.550 -0.000 0.000 0.335 336 Y C -1.623 174.340 175.900 0.105 0.000 1.222 336 Y CA -1.000 57.215 58.100 0.191 0.000 1.061 336 Y CB 0.841 39.485 38.460 0.308 0.000 1.314 336 Y HN 0.119 nan 8.280 nan 0.000 0.453 337 E N 1.535 121.895 120.200 0.268 0.000 2.343 337 E HA 0.467 4.817 4.350 -0.000 0.000 0.270 337 E C -1.257 175.452 176.600 0.181 0.000 0.895 337 E CA -0.935 55.551 56.400 0.143 0.000 0.767 337 E CB 3.008 32.746 29.700 0.064 0.000 1.248 337 E HN 0.778 nan 8.360 nan 0.000 0.440 338 L N 1.260 122.555 121.223 0.119 0.000 2.416 338 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 338 L C 0.602 177.483 176.870 0.018 0.000 1.161 338 L CA -0.551 54.329 54.840 0.066 0.000 0.845 338 L CB 0.590 42.675 42.059 0.042 0.000 1.119 338 L HN 0.493 nan 8.230 nan 0.000 0.464 339 A N 1.868 124.657 122.820 -0.050 0.000 2.451 339 A HA 0.311 4.631 4.320 -0.000 0.000 0.266 339 A C 1.092 178.698 177.584 0.036 0.000 1.119 339 A CA 0.026 52.027 52.037 -0.061 0.000 0.786 339 A CB 0.157 18.959 19.000 -0.330 0.000 1.061 339 A HN 0.903 nan 8.150 nan 0.000 0.503 340 T N -0.512 114.083 114.554 0.068 0.000 3.044 340 T HA -0.016 4.334 4.350 -0.000 0.000 0.255 340 T C 0.485 175.261 174.700 0.127 0.000 1.073 340 T CA 0.643 62.797 62.100 0.091 0.000 1.125 340 T CB -0.287 68.607 68.868 0.042 0.000 0.908 340 T HN 0.690 nan 8.240 nan 0.000 0.480 341 D N 2.701 123.191 120.400 0.149 0.000 2.671 341 D HA 0.249 4.889 4.640 -0.000 0.000 0.228 341 D C -0.460 175.987 176.300 0.244 0.000 1.102 341 D CA -0.252 53.862 54.000 0.190 0.000 1.044 341 D CB -0.185 40.745 40.800 0.216 0.000 1.113 341 D HN 0.231 nan 8.370 nan 0.000 0.480 342 V N 0.862 120.887 119.914 0.184 0.000 2.709 342 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 342 V C 0.206 176.403 176.094 0.172 0.000 1.062 342 V CA -0.962 61.449 62.300 0.184 0.000 0.901 342 V CB 2.014 33.888 31.823 0.084 0.000 1.003 342 V HN 0.535 nan 8.190 nan 0.000 0.425 343 S N 3.352 119.153 115.700 0.168 0.000 2.654 343 S HA 0.664 5.134 4.470 -0.000 0.000 0.283 343 S C -0.589 174.052 174.600 0.068 0.000 1.180 343 S CA -0.702 57.564 58.200 0.109 0.000 1.021 343 S CB 1.787 65.050 63.200 0.106 0.000 1.018 343 S HN 0.674 nan 8.310 nan 0.000 0.532 344 N N 1.135 119.848 118.700 0.023 0.000 2.260 344 N HA 0.413 5.153 4.740 -0.000 0.000 0.293 344 N C -2.182 173.319 175.510 -0.014 0.000 1.058 344 N CA -0.349 52.686 53.050 -0.025 0.000 0.824 344 N CB 2.303 40.759 38.487 -0.052 0.000 1.551 344 N HN 0.932 nan 8.380 nan 0.000 0.475 345 D N -0.056 120.352 120.400 0.014 0.000 2.493 345 D HA 0.200 4.840 4.640 -0.000 0.000 0.239 345 D C 0.519 176.876 176.300 0.094 0.000 1.049 345 D CA -0.402 53.623 54.000 0.043 0.000 1.008 345 D CB 0.802 41.650 40.800 0.080 0.000 1.398 345 D HN 0.384 nan 8.370 nan 0.000 0.513 346 D N -0.622 119.839 120.400 0.102 0.000 2.172 346 D HA -0.231 4.409 4.640 -0.000 0.000 0.196 346 D C 1.499 177.918 176.300 0.199 0.000 0.999 346 D CA 1.295 55.391 54.000 0.160 0.000 0.856 346 D CB -0.202 40.675 40.800 0.128 0.000 0.934 346 D HN 0.332 nan 8.370 nan 0.000 0.453 347 F N 0.198 120.185 119.950 0.061 0.000 2.075 347 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 347 F C 1.966 177.755 175.800 -0.018 0.000 1.113 347 F CA 1.129 59.154 58.000 0.042 0.000 1.218 347 F CB -0.567 38.475 39.000 0.070 0.000 0.984 347 F HN 0.085 nan 8.300 nan 0.000 0.472 348 L N 0.339 121.577 121.223 0.025 0.000 2.027 348 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 348 L C 2.313 179.047 176.870 -0.227 0.000 1.074 348 L CA 2.021 56.750 54.840 -0.185 0.000 0.745 348 L CB -1.441 40.494 42.059 -0.207 0.000 0.898 348 L HN 0.548 nan 8.230 nan 0.000 0.433 349 W N 0.694 121.827 121.300 -0.278 0.000 2.318 349 W HA -0.234 4.426 4.660 -0.000 0.000 0.313 349 W C 2.044 178.434 176.519 -0.215 0.000 1.221 349 W CA 1.919 59.113 57.345 -0.251 0.000 1.266 349 W CB -0.044 29.314 29.460 -0.170 0.000 1.150 349 W HN 0.261 nan 8.180 nan 0.000 0.496 350 E N 0.397 120.482 120.200 -0.192 0.000 2.077 350 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 350 E C 2.117 178.503 176.600 -0.356 0.000 0.989 350 E CA 1.465 57.692 56.400 -0.287 0.000 0.800 350 E CB -0.498 29.107 29.700 -0.158 0.000 0.746 350 E HN 0.443 nan 8.360 nan 0.000 0.452 351 R N 0.199 120.471 120.500 -0.379 0.000 2.075 351 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 351 R C 2.584 178.726 176.300 -0.263 0.000 1.126 351 R CA 0.767 56.669 56.100 -0.330 0.000 0.963 351 R CB -0.236 29.838 30.300 -0.376 0.000 0.858 351 R HN 0.152 nan 8.270 nan 0.000 0.435 352 I N 0.971 121.357 120.570 -0.307 0.000 2.286 352 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 352 I C 1.868 177.863 176.117 -0.203 0.000 1.115 352 I CA 1.206 62.405 61.300 -0.169 0.000 1.392 352 I CB -0.115 37.676 38.000 -0.348 0.000 1.065 352 I HN 0.068 nan 8.210 nan 0.000 0.418 353 K N 0.741 120.845 120.400 -0.492 0.000 2.155 353 K HA -0.155 4.165 4.320 -0.000 0.000 0.203 353 K C 1.935 178.387 176.600 -0.247 0.000 1.052 353 K CA 1.025 57.025 56.287 -0.479 0.000 0.948 353 K CB -0.386 31.707 32.500 -0.678 0.000 0.728 353 K HN 0.304 nan 8.250 nan 0.000 0.448 354 K N 0.784 121.054 120.400 -0.217 0.000 2.026 354 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 354 K C 2.321 178.866 176.600 -0.090 0.000 1.048 354 K CA 1.485 57.686 56.287 -0.143 0.000 0.929 354 K CB -0.100 32.312 32.500 -0.147 0.000 0.713 354 K HN -0.041 nan 8.250 nan 0.000 0.439 355 S N 0.602 116.261 115.700 -0.070 0.000 2.382 355 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 355 S C 1.845 176.491 174.600 0.077 0.000 1.027 355 S CA 1.451 59.626 58.200 -0.041 0.000 0.991 355 S CB -0.239 62.892 63.200 -0.116 0.000 0.823 355 S HN 0.441 nan 8.310 nan 0.000 0.469 356 E N 0.494 120.804 120.200 0.184 0.000 2.058 356 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 356 E C 2.159 178.778 176.600 0.032 0.000 0.997 356 E CA 1.115 57.619 56.400 0.175 0.000 0.801 356 E CB -0.388 29.277 29.700 -0.058 0.000 0.746 356 E HN 0.571 nan 8.360 nan 0.000 0.450 357 A N 1.326 124.128 122.820 -0.030 0.000 1.908 357 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 357 A C 2.082 179.651 177.584 -0.025 0.000 1.181 357 A CA 1.923 53.937 52.037 -0.038 0.000 0.627 357 A CB -0.723 18.244 19.000 -0.055 0.000 0.818 357 A HN 0.504 nan 8.150 nan 0.000 0.445 358 E N -0.269 119.913 120.200 -0.029 0.000 2.077 358 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 358 E C 1.932 178.514 176.600 -0.028 0.000 0.989 358 E CA 1.142 57.520 56.400 -0.037 0.000 0.800 358 E CB -0.211 29.457 29.700 -0.053 0.000 0.746 358 E HN 0.641 nan 8.360 nan 0.000 0.452 359 L N 0.297 121.517 121.223 -0.005 0.000 2.093 359 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 359 L C 2.461 179.331 176.870 -0.000 0.000 1.085 359 L CA 0.312 55.155 54.840 0.006 0.000 0.755 359 L CB -0.275 41.822 42.059 0.065 0.000 0.904 359 L HN 0.257 nan 8.230 nan 0.000 0.435 360 L N -0.158 121.065 121.223 0.001 0.000 2.046 360 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 360 L C 2.741 179.604 176.870 -0.011 0.000 1.077 360 L CA 2.082 56.918 54.840 -0.007 0.000 0.747 360 L CB -1.374 40.677 42.059 -0.012 0.000 0.896 360 L HN 0.184 nan 8.230 nan 0.000 0.432 361 A N -1.203 121.606 122.820 -0.018 0.000 1.898 361 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 361 A C 2.237 179.792 177.584 -0.048 0.000 1.181 361 A CA 1.422 53.442 52.037 -0.030 0.000 0.620 361 A CB -0.419 18.558 19.000 -0.038 0.000 0.819 361 A HN 0.475 nan 8.150 nan 0.000 0.442 362 E N -0.408 119.763 120.200 -0.047 0.000 2.051 362 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 362 E C 2.097 178.668 176.600 -0.049 0.000 0.991 362 E CA 1.368 57.735 56.400 -0.055 0.000 0.799 362 E CB -0.135 29.532 29.700 -0.055 0.000 0.748 362 E HN 0.637 nan 8.360 nan 0.000 0.449 363 K N 1.351 121.730 120.400 -0.034 0.000 2.044 363 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 363 K C 1.910 178.494 176.600 -0.028 0.000 1.049 363 K CA 1.593 57.863 56.287 -0.029 0.000 0.927 363 K CB 0.040 32.532 32.500 -0.013 0.000 0.713 363 K HN -0.060 nan 8.250 nan 0.000 0.443 364 K N -0.025 120.364 120.400 -0.019 0.000 2.147 364 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 364 K C 2.176 178.766 176.600 -0.017 0.000 1.049 364 K CA 1.369 57.653 56.287 -0.005 0.000 0.936 364 K CB -0.140 32.369 32.500 0.014 0.000 0.722 364 K HN 0.279 nan 8.250 nan 0.000 0.446 365 c N 0.351 118.923 118.600 -0.047 0.000 2.435 365 c HA -0.045 4.525 4.570 -0.000 0.000 0.279 365 c C 2.069 176.135 174.090 -0.039 0.000 1.321 365 c CA 0.545 56.843 56.329 -0.050 0.000 1.752 365 c CB -0.488 41.980 42.510 -0.071 0.000 1.959 365 c HN 0.375 nan 8.230 nan 0.000 0.500 366 V N -1.272 118.597 119.914 -0.074 0.000 3.039 366 V HA 0.578 4.698 4.120 -0.000 0.000 0.369 366 V C 1.531 177.525 176.094 -0.166 0.000 1.344 366 V CA 0.621 62.826 62.300 -0.158 0.000 1.270 366 V CB -0.971 30.768 31.823 -0.138 0.000 1.284 366 V HN 0.242 nan 8.190 nan 0.000 0.518 367 A N 1.469 124.248 122.820 -0.068 0.000 1.978 367 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 367 A C 2.110 179.692 177.584 -0.004 0.000 1.170 367 A CA 2.058 54.084 52.037 -0.018 0.000 0.636 367 A CB -0.883 18.138 19.000 0.034 0.000 0.810 367 A HN 0.983 nan 8.150 nan 0.000 0.448 368 H N -1.279 117.798 119.070 0.013 0.000 2.535 368 H HA 0.192 4.748 4.556 -0.000 0.000 0.273 368 H C 1.541 176.879 175.328 0.018 0.000 0.983 368 H CA 0.971 57.028 56.048 0.015 0.000 1.238 368 H CB -0.335 29.437 29.762 0.016 0.000 1.412 368 H HN 0.451 nan 8.280 nan 0.000 0.562 369 L N 0.656 121.613 121.223 -0.443 0.000 2.375 369 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 369 L C 2.007 178.818 176.870 -0.098 0.000 1.108 369 L CA 0.767 55.461 54.840 -0.243 0.000 0.830 369 L CB 0.053 41.931 42.059 -0.301 0.000 0.959 369 L HN 0.172 nan 8.230 nan 0.000 0.457 370 T N -0.819 113.679 114.554 -0.093 0.000 3.054 370 T HA 0.123 4.473 4.350 -0.000 0.000 0.259 370 T C 1.449 176.138 174.700 -0.018 0.000 1.092 370 T CA 0.977 63.048 62.100 -0.049 0.000 1.121 370 T CB 0.328 69.170 68.868 -0.044 0.000 0.912 370 T HN 0.564 nan 8.240 nan 0.000 0.489 371 G N 1.538 110.340 108.800 0.002 0.000 2.175 371 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 371 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 371 G C -0.028 174.888 174.900 0.026 0.000 0.982 371 G CA -0.033 45.080 45.100 0.023 0.000 0.641 371 G HN 0.507 nan 8.290 nan 0.000 0.527 372 E N -0.046 120.166 120.200 0.021 0.000 2.322 372 E HA 0.502 4.852 4.350 -0.000 0.000 0.257 372 E C 1.087 177.709 176.600 0.037 0.000 1.155 372 E CA -0.317 56.097 56.400 0.024 0.000 0.936 372 E CB 0.455 30.165 29.700 0.016 0.000 1.130 372 E HN 0.381 nan 8.360 nan 0.000 0.465 373 G N 1.889 110.709 108.800 0.033 0.000 2.298 373 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.263 373 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.263 373 G C 0.239 175.169 174.900 0.049 0.000 1.229 373 G CA -0.250 44.873 45.100 0.038 0.000 0.976 373 G HN 0.387 nan 8.290 nan 0.000 0.459 374 N N 0.880 119.617 118.700 0.062 0.000 2.073 374 N HA 0.072 4.811 4.740 -0.000 0.000 0.276 374 N C 0.276 175.828 175.510 0.071 0.000 1.253 374 N CA 1.285 54.381 53.050 0.077 0.000 0.815 374 N CB 0.501 39.028 38.487 0.066 0.000 1.051 374 N HN 0.735 nan 8.380 nan 0.000 0.477 375 A N 3.055 125.925 122.820 0.083 0.000 2.552 375 A HA 0.405 4.725 4.320 -0.000 0.000 0.288 375 A C -1.181 176.485 177.584 0.136 0.000 1.193 375 A CA -0.682 51.413 52.037 0.098 0.000 0.713 375 A CB 0.509 19.555 19.000 0.078 0.000 1.305 375 A HN 0.620 nan 8.150 nan 0.000 0.424 376 Y N -0.442 119.866 120.300 0.013 0.000 2.457 376 Y HA 0.396 4.946 4.550 -0.000 0.000 0.341 376 Y C 0.147 176.052 175.900 0.010 0.000 1.240 376 Y CA -0.483 57.623 58.100 0.010 0.000 1.437 376 Y CB 0.939 39.401 38.460 0.004 0.000 1.328 376 Y HN 0.792 nan 8.280 nan 0.000 0.588 377 c N 6.412 124.595 118.600 -0.694 0.000 2.547 377 c HA 0.444 5.014 4.570 -0.000 0.000 0.327 377 c C -1.560 172.079 174.090 -0.750 0.000 1.076 377 c CA -0.487 55.512 56.329 -0.549 0.000 1.390 377 c CB -0.987 41.381 42.510 -0.236 0.000 1.918 377 c HN 0.868 nan 8.230 nan 0.000 0.438 378 D N 3.826 123.843 120.400 -0.637 0.000 2.602 378 D HA 0.597 5.237 4.640 -0.000 0.000 0.245 378 D C -0.584 175.610 176.300 -0.176 0.000 1.325 378 D CA -0.152 53.620 54.000 -0.382 0.000 0.952 378 D CB 1.765 42.383 40.800 -0.303 0.000 1.317 378 D HN 0.633 nan 8.370 nan 0.000 0.577 379 V N 1.545 121.384 119.914 -0.125 0.000 3.040 379 V HA 0.814 4.934 4.120 -0.000 0.000 0.312 379 V C -2.478 173.579 176.094 -0.062 0.000 1.115 379 V CA -1.852 60.398 62.300 -0.084 0.000 0.998 379 V CB 1.548 33.320 31.823 -0.086 0.000 1.042 379 V HN 0.446 nan 8.190 nan 0.000 0.433 380 P HA 0.310 nan 4.420 nan 0.000 0.271 380 P C -0.320 176.952 177.300 -0.047 0.000 1.216 380 P CA 0.077 63.150 63.100 -0.045 0.000 0.771 380 P CB 0.827 32.499 31.700 -0.046 0.000 0.864 381 E N 0.000 120.177 120.200 -0.039 0.000 2.725 381 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 381 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 381 E CB 0.000 29.683 29.700 -0.028 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440