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 1umb_1_A DATA FIRST_RESID 6 DATA SEQUENCE HRFETFTEEP IRLIGEEGEW LGDFPLDLEG EKLRRLYRDM LAARMLDERY DATA SEQUENCE TILIRTGKTS FIAPAAGHEA AQVAIAHAIR PGFDWVFPYY RDHGLALALG DATA SEQUENCE IPLKELLGQM LATKADPNKG RQMPEHPGSK ALNFFTVASP IASHVPPAAG DATA SEQUENCE AAISMKLLRT GQVAVCTFGD GATSEGDWYA GINFAAVQGA PAVFIAENNF DATA SEQUENCE YAISVDYRHQ THSPTIADKA HAFGIPGYLV DGMDVLASYY VVKEAVERAR DATA SEQUENCE RGEGPSLVEL RVYRYGPHSS ADDDSRYRPK EEVAFWRKKD PIPRFRRFLE DATA SEQUENCE ARGLWNEEWE EDVREEIRAE LERGLKEAEE AGPVPPEWMF EDVFAEKPWH DATA SEQUENCE LLRQEALLKE EL 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.180 175.328 -0.246 0.000 0.993 6 H CA 0.000 55.907 56.048 -0.234 0.000 1.023 6 H CB 0.000 29.508 29.762 -0.423 0.000 1.292 7 R N 3.738 123.646 120.500 -0.987 0.000 2.515 7 R HA 0.231 4.571 4.340 0.001 0.000 0.291 7 R C -0.897 175.024 176.300 -0.632 0.000 1.046 7 R CA -0.733 55.041 56.100 -0.544 0.000 0.914 7 R CB 1.118 31.291 30.300 -0.212 0.000 1.191 7 R HN 0.210 nan 8.270 nan 0.000 0.435 8 F N 1.374 121.219 119.950 -0.175 0.000 2.444 8 F HA 0.124 4.651 4.527 0.001 0.000 0.331 8 F C 1.448 177.325 175.800 0.128 0.000 1.167 8 F CA 0.259 58.271 58.000 0.019 0.000 1.262 8 F CB 0.625 39.644 39.000 0.032 0.000 1.196 8 F HN 0.246 nan 8.300 nan 0.000 0.583 9 E N 0.534 120.938 120.200 0.341 0.000 2.338 9 E HA 0.202 4.553 4.350 0.001 0.000 0.272 9 E C -0.205 176.521 176.600 0.210 0.000 1.029 9 E CA -0.367 56.165 56.400 0.221 0.000 0.872 9 E CB 0.692 30.494 29.700 0.170 0.000 1.015 9 E HN 0.571 nan 8.360 nan 0.000 0.417 10 T N -0.556 114.011 114.554 0.021 0.000 2.922 10 T HA 0.278 4.629 4.350 0.001 0.000 0.285 10 T C 0.236 174.847 174.700 -0.150 0.000 1.005 10 T CA -0.730 61.138 62.100 -0.386 0.000 1.061 10 T CB 0.211 68.715 68.868 -0.607 0.000 1.007 10 T HN 0.491 nan 8.240 nan 0.000 0.502 11 F N -0.369 119.524 119.950 -0.095 0.000 3.090 11 F HA -0.209 4.319 4.527 0.001 0.000 0.282 11 F C 1.213 177.040 175.800 0.046 0.000 0.923 11 F CA 0.608 58.601 58.000 -0.011 0.000 0.977 11 F CB -3.001 36.012 39.000 0.020 0.000 0.954 11 F HN 0.971 nan 8.300 nan 0.000 0.695 12 T N -3.071 111.574 114.554 0.151 0.000 2.926 12 T HA 0.143 4.494 4.350 0.001 0.000 0.307 12 T C 1.206 175.984 174.700 0.130 0.000 1.059 12 T CA 0.013 62.196 62.100 0.139 0.000 1.122 12 T CB 1.846 70.787 68.868 0.123 0.000 0.972 12 T HN 0.535 nan 8.240 nan 0.000 0.545 13 E N 0.789 121.056 120.200 0.111 0.000 2.152 13 E HA -0.091 4.260 4.350 0.001 0.000 0.192 13 E C 0.190 176.840 176.600 0.083 0.000 0.983 13 E CA 0.666 57.121 56.400 0.093 0.000 0.818 13 E CB 0.279 30.022 29.700 0.072 0.000 0.758 13 E HN 0.632 nan 8.360 nan 0.000 0.467 14 E N 1.916 122.165 120.200 0.081 0.000 2.175 14 E HA 0.243 4.594 4.350 0.001 0.000 0.278 14 E C -2.369 174.281 176.600 0.084 0.000 0.969 14 E CA -2.756 53.689 56.400 0.075 0.000 0.796 14 E CB 1.377 31.115 29.700 0.063 0.000 1.104 14 E HN 0.175 nan 8.360 nan 0.000 0.395 15 P HA 0.082 nan 4.420 nan 0.000 0.265 15 P C 0.263 177.603 177.300 0.067 0.000 1.193 15 P CA 0.077 63.228 63.100 0.085 0.000 0.765 15 P CB 0.616 32.380 31.700 0.108 0.000 0.823 16 I N 4.064 124.665 120.570 0.052 0.000 2.668 16 I HA -0.004 4.166 4.170 0.001 0.000 0.285 16 I C 1.378 177.503 176.117 0.014 0.000 1.168 16 I CA 0.705 62.029 61.300 0.039 0.000 1.424 16 I CB -0.062 37.928 38.000 -0.016 0.000 1.377 16 I HN 0.197 nan 8.210 nan 0.000 0.560 17 R N 6.290 126.802 120.500 0.019 0.000 2.744 17 R HA 0.560 4.901 4.340 0.001 0.000 0.279 17 R C -0.053 176.210 176.300 -0.062 0.000 0.977 17 R CA -0.810 55.285 56.100 -0.008 0.000 0.906 17 R CB 2.090 32.390 30.300 0.000 0.000 1.197 17 R HN 0.591 nan 8.270 nan 0.000 0.463 18 L N 1.397 122.559 121.223 -0.101 0.000 2.766 18 L HA 0.386 4.727 4.340 0.001 0.000 0.241 18 L C 0.198 176.956 176.870 -0.187 0.000 1.080 18 L CA 0.220 54.879 54.840 -0.303 0.000 0.909 18 L CB 0.698 42.575 42.059 -0.304 0.000 1.277 18 L HN 0.470 nan 8.230 nan 0.000 0.510 19 I N 1.000 121.554 120.570 -0.026 0.000 2.304 19 I HA 0.267 4.437 4.170 0.001 0.000 0.291 19 I C 0.785 176.974 176.117 0.121 0.000 1.018 19 I CA -0.367 61.001 61.300 0.113 0.000 1.260 19 I CB 1.304 39.357 38.000 0.089 0.000 1.390 19 I HN -0.051 nan 8.210 nan 0.000 0.475 20 G N 3.601 112.501 108.800 0.167 0.000 2.569 20 G HA2 0.038 3.999 3.960 0.001 0.000 0.249 20 G HA3 0.038 3.999 3.960 0.001 0.000 0.249 20 G C 0.609 175.570 174.900 0.102 0.000 1.216 20 G CA -0.211 44.949 45.100 0.100 0.000 0.845 20 G HN 0.682 nan 8.290 nan 0.000 0.568 21 E N -0.241 119.991 120.200 0.053 0.000 2.409 21 E HA -0.058 4.293 4.350 0.001 0.000 0.198 21 E C 1.805 178.426 176.600 0.036 0.000 1.024 21 E CA 0.777 57.198 56.400 0.035 0.000 0.861 21 E CB 0.234 29.934 29.700 0.001 0.000 0.788 21 E HN 0.522 nan 8.360 nan 0.000 0.521 22 E N -1.497 118.730 120.200 0.044 0.000 2.481 22 E HA 0.185 4.536 4.350 0.001 0.000 0.198 22 E C 0.892 177.514 176.600 0.037 0.000 1.027 22 E CA 0.541 56.956 56.400 0.027 0.000 0.900 22 E CB 0.847 30.555 29.700 0.014 0.000 0.993 22 E HN 0.262 nan 8.360 nan 0.000 0.482 23 G N 2.457 111.320 108.800 0.105 0.000 2.144 23 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 23 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 23 G C 0.122 175.092 174.900 0.116 0.000 0.988 23 G CA 0.249 45.436 45.100 0.146 0.000 0.659 23 G HN 0.280 nan 8.290 nan 0.000 0.522 24 E N 0.276 120.568 120.200 0.153 0.000 2.349 24 E HA 0.285 4.635 4.350 0.001 0.000 0.262 24 E C -0.128 176.689 176.600 0.362 0.000 1.088 24 E CA -1.003 55.492 56.400 0.159 0.000 0.899 24 E CB 1.203 30.960 29.700 0.096 0.000 1.044 24 E HN 0.429 nan 8.360 nan 0.000 0.420 25 W N 4.404 125.792 121.300 0.147 0.000 2.338 25 W HA 0.244 4.905 4.660 0.001 0.000 0.307 25 W C -0.610 175.945 176.519 0.059 0.000 1.167 25 W CA -0.719 56.738 57.345 0.187 0.000 1.208 25 W CB 0.699 30.235 29.460 0.126 0.000 1.228 25 W HN 0.532 nan 8.180 nan 0.000 0.499 26 L N 5.844 126.735 121.223 -0.553 0.000 2.640 26 L HA 0.242 4.583 4.340 0.001 0.000 0.230 26 L C 1.539 177.976 176.870 -0.722 0.000 1.123 26 L CA -0.206 54.350 54.840 -0.474 0.000 0.900 26 L CB -0.367 41.539 42.059 -0.256 0.000 1.146 26 L HN 0.455 nan 8.230 nan 0.000 0.484 27 G N 0.797 108.623 108.800 -1.623 0.000 2.554 27 G HA2 0.042 4.003 3.960 0.001 0.000 0.238 27 G HA3 0.042 4.003 3.960 0.001 0.000 0.238 27 G C 0.262 174.913 174.900 -0.416 0.000 1.259 27 G CA -0.164 44.228 45.100 -1.179 0.000 0.843 27 G HN 0.380 nan 8.290 nan 0.000 0.582 28 D N -0.092 120.279 120.400 -0.050 0.000 2.460 28 D HA 0.197 4.837 4.640 0.001 0.000 0.229 28 D C -0.078 176.401 176.300 0.297 0.000 1.170 28 D CA -0.439 53.640 54.000 0.132 0.000 0.827 28 D CB -0.471 40.431 40.800 0.169 0.000 0.973 28 D HN 0.265 nan 8.370 nan 0.000 0.496 29 F N -2.463 117.544 119.950 0.093 0.000 2.693 29 F HA 0.628 5.155 4.527 0.001 0.000 0.309 29 F C -3.152 172.786 175.800 0.230 0.000 1.129 29 F CA -2.554 55.485 58.000 0.065 0.000 0.948 29 F CB 0.491 39.376 39.000 -0.192 0.000 1.315 29 F HN -0.363 nan 8.300 nan 0.000 0.447 30 P HA 0.215 nan 4.420 nan 0.000 0.279 30 P C -0.740 176.375 177.300 -0.308 0.000 1.239 30 P CA -0.166 62.869 63.100 -0.108 0.000 0.789 30 P CB 1.821 33.499 31.700 -0.036 0.000 0.933 31 L N 3.656 124.370 121.223 -0.850 0.000 2.534 31 L HA 0.043 4.384 4.340 0.001 0.000 0.271 31 L C 0.593 177.314 176.870 -0.248 0.000 1.178 31 L CA 0.858 55.170 54.840 -0.880 0.000 0.907 31 L CB -0.519 40.808 42.059 -1.221 0.000 1.164 31 L HN 0.360 nan 8.230 nan 0.000 0.482 32 D N 3.782 124.214 120.400 0.054 0.000 2.440 32 D HA 0.098 4.739 4.640 0.001 0.000 0.216 32 D C -0.070 176.308 176.300 0.131 0.000 1.150 32 D CA 0.013 54.080 54.000 0.111 0.000 0.832 32 D CB -0.365 40.547 40.800 0.187 0.000 0.992 32 D HN 0.454 nan 8.370 nan 0.000 0.502 33 L N 1.312 122.609 121.223 0.123 0.000 2.265 33 L HA 0.311 4.652 4.340 0.001 0.000 0.288 33 L C 0.649 177.531 176.870 0.020 0.000 1.058 33 L CA -0.641 54.235 54.840 0.059 0.000 0.809 33 L CB 1.165 43.228 42.059 0.007 0.000 1.179 33 L HN -0.097 nan 8.230 nan 0.000 0.429 34 E N 1.612 121.817 120.200 0.008 0.000 2.422 34 E HA -0.006 4.345 4.350 0.001 0.000 0.260 34 E C 1.093 177.685 176.600 -0.013 0.000 1.108 34 E CA 0.373 56.768 56.400 -0.008 0.000 0.943 34 E CB 0.784 30.479 29.700 -0.007 0.000 0.961 34 E HN 0.779 nan 8.360 nan 0.000 0.443 35 G N 1.425 110.205 108.800 -0.033 0.000 2.469 35 G HA2 -0.371 3.590 3.960 0.001 0.000 0.219 35 G HA3 -0.371 3.590 3.960 0.001 0.000 0.219 35 G C 1.318 176.189 174.900 -0.047 0.000 1.150 35 G CA 1.184 46.253 45.100 -0.052 0.000 0.763 35 G HN 0.739 nan 8.290 nan 0.000 0.561 36 E N 0.362 120.539 120.200 -0.039 0.000 2.085 36 E HA -0.219 4.132 4.350 0.001 0.000 0.194 36 E C 2.329 178.937 176.600 0.014 0.000 0.994 36 E CA 1.508 57.898 56.400 -0.016 0.000 0.801 36 E CB -0.201 29.495 29.700 -0.006 0.000 0.743 36 E HN 0.486 nan 8.360 nan 0.000 0.453 37 K N 0.232 120.630 120.400 -0.003 0.000 2.097 37 K HA -0.093 4.227 4.320 0.001 0.000 0.205 37 K C 2.292 178.873 176.600 -0.031 0.000 1.050 37 K CA 0.970 57.235 56.287 -0.038 0.000 0.938 37 K CB -0.056 32.404 32.500 -0.067 0.000 0.718 37 K HN 0.165 nan 8.250 nan 0.000 0.442 38 L N 0.332 121.580 121.223 0.041 0.000 2.046 38 L HA -0.167 4.173 4.340 0.001 0.000 0.208 38 L C 2.527 179.580 176.870 0.306 0.000 1.077 38 L CA 1.387 56.346 54.840 0.199 0.000 0.747 38 L CB -0.287 41.898 42.059 0.211 0.000 0.896 38 L HN 0.149 nan 8.230 nan 0.000 0.432 39 R N -0.650 119.964 120.500 0.189 0.000 2.148 39 R HA -0.139 4.202 4.340 0.001 0.000 0.227 39 R C 2.388 178.971 176.300 0.471 0.000 1.103 39 R CA 0.928 57.231 56.100 0.338 0.000 0.983 39 R CB -0.225 30.110 30.300 0.059 0.000 0.874 39 R HN 0.250 nan 8.270 nan 0.000 0.451 40 R N 0.796 121.443 120.500 0.245 0.000 2.092 40 R HA -0.058 4.283 4.340 0.001 0.000 0.231 40 R C 2.015 178.373 176.300 0.096 0.000 1.119 40 R CA 1.053 57.252 56.100 0.166 0.000 0.970 40 R CB -0.136 30.197 30.300 0.054 0.000 0.864 40 R HN 0.178 nan 8.270 nan 0.000 0.440 41 L N -0.440 120.786 121.223 0.005 0.000 2.042 41 L HA -0.234 4.106 4.340 0.001 0.000 0.210 41 L C 2.349 179.333 176.870 0.191 0.000 1.076 41 L CA 1.448 56.241 54.840 -0.079 0.000 0.749 41 L CB -0.641 41.287 42.059 -0.218 0.000 0.893 41 L HN 0.268 nan 8.230 nan 0.000 0.432 42 Y N 0.448 120.979 120.300 0.385 0.000 2.145 42 Y HA -0.227 4.324 4.550 0.001 0.000 0.286 42 Y C 2.899 178.940 175.900 0.235 0.000 1.145 42 Y CA 1.419 59.784 58.100 0.442 0.000 1.148 42 Y CB -0.223 38.571 38.460 0.557 0.000 0.981 42 Y HN -0.038 nan 8.280 nan 0.000 0.507 43 R N 0.651 121.299 120.500 0.247 0.000 2.083 43 R HA -0.177 4.164 4.340 0.001 0.000 0.237 43 R C 1.552 177.836 176.300 -0.026 0.000 1.137 43 R CA 2.100 58.226 56.100 0.044 0.000 0.951 43 R CB -0.731 29.660 30.300 0.153 0.000 0.851 43 R HN 0.424 nan 8.270 nan 0.000 0.434 44 D N -0.077 120.351 120.400 0.046 0.000 2.178 44 D HA -0.116 4.525 4.640 0.001 0.000 0.202 44 D C 1.958 178.246 176.300 -0.020 0.000 0.974 44 D CA 0.955 54.978 54.000 0.039 0.000 0.841 44 D CB -0.095 40.794 40.800 0.149 0.000 0.953 44 D HN 0.276 nan 8.370 nan 0.000 0.478 45 M N -0.211 119.358 119.600 -0.051 0.000 2.200 45 M HA -0.052 4.428 4.480 0.001 0.000 0.265 45 M C 2.142 178.364 176.300 -0.130 0.000 1.066 45 M CA 0.818 56.072 55.300 -0.077 0.000 1.127 45 M CB -0.040 32.522 32.600 -0.064 0.000 1.379 45 M HN 0.016 nan 8.290 nan 0.000 0.420 46 L N -0.323 120.760 121.223 -0.233 0.000 2.056 46 L HA -0.154 4.187 4.340 0.001 0.000 0.207 46 L C 2.825 179.618 176.870 -0.128 0.000 1.078 46 L CA 1.165 55.873 54.840 -0.220 0.000 0.749 46 L CB -0.893 40.981 42.059 -0.310 0.000 0.901 46 L HN 0.283 nan 8.230 nan 0.000 0.433 47 A N 0.110 122.865 122.820 -0.109 0.000 1.902 47 A HA -0.184 4.137 4.320 0.001 0.000 0.217 47 A C 2.521 180.060 177.584 -0.075 0.000 1.181 47 A CA 1.797 53.786 52.037 -0.080 0.000 0.623 47 A CB -0.646 18.318 19.000 -0.059 0.000 0.818 47 A HN 0.415 nan 8.150 nan 0.000 0.443 48 A N -0.284 122.496 122.820 -0.067 0.000 1.898 48 A HA -0.123 4.198 4.320 0.001 0.000 0.216 48 A C 2.183 179.732 177.584 -0.058 0.000 1.181 48 A CA 2.081 54.082 52.037 -0.060 0.000 0.620 48 A CB -0.425 18.546 19.000 -0.047 0.000 0.819 48 A HN 0.466 nan 8.150 nan 0.000 0.442 49 R N -0.221 120.250 120.500 -0.047 0.000 2.081 49 R HA 0.005 4.346 4.340 0.001 0.000 0.235 49 R C 2.000 178.276 176.300 -0.040 0.000 1.131 49 R CA 2.203 58.289 56.100 -0.023 0.000 0.960 49 R CB -0.629 29.666 30.300 -0.010 0.000 0.856 49 R HN 0.544 nan 8.270 nan 0.000 0.436 50 M N -0.287 119.279 119.600 -0.057 0.000 2.229 50 M HA -0.073 4.407 4.480 0.001 0.000 0.264 50 M C 1.874 178.128 176.300 -0.077 0.000 1.063 50 M CA 1.032 56.299 55.300 -0.055 0.000 1.114 50 M CB -0.263 32.304 32.600 -0.055 0.000 1.387 50 M HN 0.204 nan 8.290 nan 0.000 0.420 51 L N 0.622 121.772 121.223 -0.122 0.000 2.046 51 L HA -0.182 4.158 4.340 0.001 0.000 0.208 51 L C 1.701 178.350 176.870 -0.367 0.000 1.077 51 L CA 2.117 56.825 54.840 -0.219 0.000 0.747 51 L CB -0.687 41.208 42.059 -0.272 0.000 0.896 51 L HN 0.192 nan 8.230 nan 0.000 0.432 52 D N -0.709 119.517 120.400 -0.289 0.000 2.117 52 D HA -0.210 4.431 4.640 0.001 0.000 0.197 52 D C 1.995 178.253 176.300 -0.071 0.000 0.987 52 D CA 1.486 55.351 54.000 -0.224 0.000 0.829 52 D CB 0.060 40.845 40.800 -0.024 0.000 0.961 52 D HN 0.564 nan 8.370 nan 0.000 0.460 53 E N -0.576 119.601 120.200 -0.038 0.000 2.208 53 E HA -0.104 4.246 4.350 0.001 0.000 0.193 53 E C 2.075 178.687 176.600 0.020 0.000 0.988 53 E CA 0.226 56.628 56.400 0.002 0.000 0.828 53 E CB 0.129 29.829 29.700 -0.001 0.000 0.763 53 E HN 0.062 nan 8.360 nan 0.000 0.478 54 R N 0.268 120.779 120.500 0.019 0.000 2.092 54 R HA -0.096 4.244 4.340 0.001 0.000 0.231 54 R C 1.885 178.270 176.300 0.142 0.000 1.119 54 R CA 1.112 57.249 56.100 0.062 0.000 0.970 54 R CB -0.442 29.895 30.300 0.061 0.000 0.864 54 R HN 0.271 nan 8.270 nan 0.000 0.440 55 Y N 0.842 121.079 120.300 -0.105 0.000 2.165 55 Y HA -0.171 4.380 4.550 0.001 0.000 0.286 55 Y C 2.503 178.345 175.900 -0.097 0.000 1.155 55 Y CA 1.505 59.526 58.100 -0.132 0.000 1.164 55 Y CB -0.946 37.386 38.460 -0.213 0.000 0.978 55 Y HN 0.063 nan 8.280 nan 0.000 0.513 56 T N 0.550 115.159 114.554 0.092 0.000 2.720 56 T HA -0.200 4.150 4.350 0.001 0.000 0.268 56 T C 2.119 176.823 174.700 0.007 0.000 1.037 56 T CA 1.748 63.865 62.100 0.028 0.000 1.144 56 T CB -0.485 68.397 68.868 0.023 0.000 0.864 56 T HN 0.263 nan 8.240 nan 0.000 0.444 57 I N 0.522 121.100 120.570 0.014 0.000 2.315 57 I HA -0.083 4.088 4.170 0.001 0.000 0.248 57 I C 2.202 178.309 176.117 -0.017 0.000 1.117 57 I CA 0.986 62.285 61.300 -0.000 0.000 1.404 57 I CB -0.369 37.634 38.000 0.005 0.000 1.071 57 I HN 0.203 nan 8.210 nan 0.000 0.419 58 L N 0.202 121.408 121.223 -0.027 0.000 2.131 58 L HA -0.231 4.110 4.340 0.001 0.000 0.210 58 L C 2.544 179.373 176.870 -0.069 0.000 1.092 58 L CA 1.034 55.835 54.840 -0.064 0.000 0.759 58 L CB -0.438 41.544 42.059 -0.129 0.000 0.903 58 L HN 0.266 nan 8.230 nan 0.000 0.435 59 I N 0.013 120.544 120.570 -0.065 0.000 2.202 59 I HA -0.231 3.940 4.170 0.001 0.000 0.242 59 I C 2.734 178.830 176.117 -0.035 0.000 1.091 59 I CA 1.469 62.735 61.300 -0.056 0.000 1.368 59 I CB -0.845 37.121 38.000 -0.058 0.000 1.058 59 I HN 0.296 nan 8.210 nan 0.000 0.410 60 R N 0.392 120.876 120.500 -0.026 0.000 2.083 60 R HA -0.156 4.185 4.340 0.001 0.000 0.237 60 R C 1.984 178.272 176.300 -0.019 0.000 1.137 60 R CA 2.109 58.199 56.100 -0.018 0.000 0.951 60 R CB -0.874 29.418 30.300 -0.013 0.000 0.851 60 R HN 0.500 nan 8.270 nan 0.000 0.434 61 T N -2.371 112.170 114.554 -0.022 0.000 3.160 61 T HA 0.129 4.480 4.350 0.001 0.000 0.257 61 T C 1.344 176.028 174.700 -0.025 0.000 1.147 61 T CA 0.553 62.640 62.100 -0.022 0.000 1.064 61 T CB 0.293 69.148 68.868 -0.022 0.000 0.949 61 T HN 0.485 nan 8.240 nan 0.000 0.526 62 G N 1.767 110.550 108.800 -0.028 0.000 2.153 62 G HA2 -0.291 3.669 3.960 0.001 0.000 0.252 62 G HA3 -0.291 3.669 3.960 0.001 0.000 0.252 62 G C 0.972 175.850 174.900 -0.037 0.000 0.994 62 G CA 0.398 45.481 45.100 -0.029 0.000 0.698 62 G HN 0.479 nan 8.290 nan 0.000 0.521 63 K N -0.563 119.808 120.400 -0.047 0.000 2.155 63 K HA 0.059 4.379 4.320 0.001 0.000 0.203 63 K C 1.224 177.781 176.600 -0.071 0.000 1.052 63 K CA 1.373 57.626 56.287 -0.057 0.000 0.948 63 K CB 0.005 32.468 32.500 -0.063 0.000 0.728 63 K HN 0.473 nan 8.250 nan 0.000 0.448 64 T N -0.602 113.903 114.554 -0.082 0.000 2.906 64 T HA 0.195 4.545 4.350 0.001 0.000 0.295 64 T C 0.537 175.211 174.700 -0.043 0.000 1.061 64 T CA -0.572 61.476 62.100 -0.086 0.000 1.000 64 T CB 1.623 70.390 68.868 -0.168 0.000 1.103 64 T HN 0.112 nan 8.240 nan 0.000 0.486 65 S N 2.412 118.112 115.700 0.001 0.000 2.556 65 S HA 0.347 4.818 4.470 0.001 0.000 0.216 65 S C -0.045 174.646 174.600 0.151 0.000 0.970 65 S CA -0.436 57.792 58.200 0.048 0.000 0.912 65 S CB -0.245 62.978 63.200 0.039 0.000 0.790 65 S HN 0.591 nan 8.310 nan 0.000 0.504 66 F N 1.179 121.087 119.950 -0.069 0.000 2.654 66 F HA 0.620 5.148 4.527 0.001 0.000 0.314 66 F C -1.821 173.940 175.800 -0.065 0.000 1.116 66 F CA -1.415 56.554 58.000 -0.052 0.000 1.017 66 F CB 1.340 40.322 39.000 -0.031 0.000 1.285 66 F HN 0.203 nan 8.300 nan 0.000 0.448 67 I N 2.540 122.608 120.570 -0.838 0.000 2.865 67 I HA 0.938 5.109 4.170 0.001 0.000 0.302 67 I C -1.546 174.101 176.117 -0.784 0.000 1.140 67 I CA -1.123 59.839 61.300 -0.564 0.000 1.021 67 I CB 2.337 40.208 38.000 -0.215 0.000 1.233 67 I HN 0.804 nan 8.210 nan 0.000 0.427 68 A N 4.766 127.399 122.820 -0.310 0.000 2.536 68 A HA 0.723 5.044 4.320 0.001 0.000 0.329 68 A C -2.676 174.903 177.584 -0.009 0.000 1.321 68 A CA -1.635 50.276 52.037 -0.210 0.000 0.804 68 A CB -0.105 18.912 19.000 0.029 0.000 1.126 68 A HN 0.556 nan 8.150 nan 0.000 0.480 69 P HA 0.051 nan 4.420 nan 0.000 0.258 69 P C 0.721 177.964 177.300 -0.094 0.000 1.172 69 P CA 0.806 63.906 63.100 -0.000 0.000 0.762 69 P CB 0.942 32.637 31.700 -0.008 0.000 0.764 70 A N 3.958 126.712 122.820 -0.111 0.000 2.390 70 A HA 0.453 4.774 4.320 0.001 0.000 0.232 70 A C 0.989 178.515 177.584 -0.096 0.000 1.233 70 A CA 0.156 52.002 52.037 -0.319 0.000 0.907 70 A CB -0.284 18.362 19.000 -0.591 0.000 0.967 70 A HN 0.546 nan 8.150 nan 0.000 0.512 71 A N -0.232 122.604 122.820 0.026 0.000 2.545 71 A HA 0.435 4.756 4.320 0.001 0.000 0.253 71 A C 1.532 179.167 177.584 0.086 0.000 1.074 71 A CA 0.907 53.026 52.037 0.136 0.000 0.760 71 A CB -0.669 18.475 19.000 0.240 0.000 1.005 71 A HN 1.895 nan 8.150 nan 0.000 0.506 72 G N 1.357 110.170 108.800 0.021 0.000 2.253 72 G HA2 -0.183 3.778 3.960 0.001 0.000 0.209 72 G HA3 -0.183 3.778 3.960 0.001 0.000 0.209 72 G C 0.622 175.460 174.900 -0.103 0.000 0.997 72 G CA 0.424 45.333 45.100 -0.317 0.000 0.640 72 G HN 0.884 nan 8.290 nan 0.000 0.496 73 H N 0.396 119.380 119.070 -0.144 0.000 2.586 73 H HA 0.200 4.757 4.556 0.001 0.000 0.273 73 H C 2.165 177.441 175.328 -0.086 0.000 0.997 73 H CA 0.686 56.662 56.048 -0.120 0.000 1.177 73 H CB 0.627 30.299 29.762 -0.149 0.000 1.471 73 H HN 0.477 nan 8.280 nan 0.000 0.538 74 E N 1.645 121.873 120.200 0.045 0.000 2.070 74 E HA -0.182 4.169 4.350 0.001 0.000 0.197 74 E C 2.412 179.011 176.600 -0.002 0.000 1.004 74 E CA 1.389 57.797 56.400 0.014 0.000 0.805 74 E CB -0.078 29.632 29.700 0.017 0.000 0.744 74 E HN 0.401 nan 8.360 nan 0.000 0.451 75 A N 0.914 123.730 122.820 -0.007 0.000 1.877 75 A HA -0.119 4.202 4.320 0.001 0.000 0.216 75 A C 2.374 179.937 177.584 -0.034 0.000 1.186 75 A CA 2.028 54.042 52.037 -0.037 0.000 0.620 75 A CB -0.970 18.010 19.000 -0.032 0.000 0.822 75 A HN 0.301 nan 8.150 nan 0.000 0.443 76 A N -0.789 122.011 122.820 -0.033 0.000 1.858 76 A HA -0.225 4.095 4.320 0.001 0.000 0.216 76 A C 2.161 179.742 177.584 -0.006 0.000 1.190 76 A CA 1.754 53.770 52.037 -0.034 0.000 0.617 76 A CB -0.687 18.272 19.000 -0.068 0.000 0.827 76 A HN 0.638 nan 8.150 nan 0.000 0.443 77 Q N -0.645 119.158 119.800 0.005 0.000 2.084 77 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 77 Q C 2.157 178.169 176.000 0.020 0.000 0.978 77 Q CA 1.648 57.455 55.803 0.008 0.000 0.844 77 Q CB -0.304 28.423 28.738 -0.019 0.000 0.898 77 Q HN 0.484 nan 8.270 nan 0.000 0.426 78 V N 0.788 120.719 119.914 0.028 0.000 2.427 78 V HA -0.243 3.878 4.120 0.001 0.000 0.248 78 V C 2.223 178.415 176.094 0.163 0.000 1.051 78 V CA 1.637 63.990 62.300 0.089 0.000 1.048 78 V CB -0.891 30.977 31.823 0.075 0.000 0.666 78 V HN 0.383 nan 8.190 nan 0.000 0.456 79 A N 0.224 123.098 122.820 0.091 0.000 1.883 79 A HA -0.204 4.117 4.320 0.001 0.000 0.217 79 A C 2.170 179.850 177.584 0.160 0.000 1.186 79 A CA 2.055 54.176 52.037 0.139 0.000 0.624 79 A CB -0.563 18.477 19.000 0.065 0.000 0.822 79 A HN 0.505 nan 8.150 nan 0.000 0.444 80 I N -0.206 120.407 120.570 0.071 0.000 2.226 80 I HA -0.291 3.879 4.170 0.001 0.000 0.245 80 I C 2.949 179.094 176.117 0.048 0.000 1.100 80 I CA 1.075 62.400 61.300 0.041 0.000 1.374 80 I CB -0.367 37.647 38.000 0.024 0.000 1.057 80 I HN 0.358 nan 8.210 nan 0.000 0.413 81 A N -0.113 122.722 122.820 0.024 0.000 1.978 81 A HA -0.229 4.092 4.320 0.001 0.000 0.220 81 A C 2.117 179.614 177.584 -0.145 0.000 1.170 81 A CA 1.596 53.587 52.037 -0.077 0.000 0.636 81 A CB -0.796 18.106 19.000 -0.163 0.000 0.810 81 A HN 0.472 nan 8.150 nan 0.000 0.448 82 H N -1.439 117.686 119.070 0.092 0.000 2.562 82 H HA 0.278 4.835 4.556 0.001 0.000 0.267 82 H C 2.205 177.685 175.328 0.253 0.000 0.959 82 H CA 0.798 56.933 56.048 0.145 0.000 1.204 82 H CB 0.071 29.887 29.762 0.090 0.000 1.430 82 H HN 0.543 nan 8.280 nan 0.000 0.545 83 A N 1.363 124.328 122.820 0.242 0.000 2.167 83 A HA 0.118 4.439 4.320 0.001 0.000 0.214 83 A C 1.386 178.982 177.584 0.020 0.000 1.151 83 A CA 0.157 52.200 52.037 0.010 0.000 0.735 83 A CB -0.353 18.556 19.000 -0.153 0.000 0.802 83 A HN 0.381 nan 8.150 nan 0.000 0.467 84 I N -4.994 115.613 120.570 0.062 0.000 3.436 84 I HA 0.588 4.759 4.170 0.001 0.000 0.296 84 I C -0.348 175.830 176.117 0.101 0.000 1.143 84 I CA -1.474 59.871 61.300 0.074 0.000 1.009 84 I CB 1.419 39.459 38.000 0.068 0.000 1.301 84 I HN -0.195 nan 8.210 nan 0.000 0.503 85 R N 2.104 122.694 120.500 0.150 0.000 2.247 85 R HA 0.408 4.749 4.340 0.001 0.000 0.329 85 R C -2.511 173.878 176.300 0.149 0.000 1.014 85 R CA -1.730 54.467 56.100 0.162 0.000 0.907 85 R CB 0.727 31.175 30.300 0.246 0.000 1.146 85 R HN 0.442 nan 8.270 nan 0.000 0.499 86 P HA -0.083 nan 4.420 nan 0.000 0.264 86 P C 0.706 178.037 177.300 0.052 0.000 1.193 86 P CA 0.950 64.066 63.100 0.027 0.000 0.763 86 P CB 1.006 32.685 31.700 -0.034 0.000 0.810 87 G N 2.397 111.212 108.800 0.025 0.000 2.241 87 G HA2 -0.355 3.605 3.960 0.001 0.000 0.244 87 G HA3 -0.355 3.605 3.960 0.001 0.000 0.244 87 G C 0.324 175.304 174.900 0.132 0.000 0.998 87 G CA 0.317 45.435 45.100 0.031 0.000 0.621 87 G HN 0.517 nan 8.290 nan 0.000 0.519 88 F N 1.520 121.481 119.950 0.018 0.000 2.539 88 F HA 0.404 4.932 4.527 0.001 0.000 0.277 88 F C 0.896 176.792 175.800 0.161 0.000 0.925 88 F CA 0.564 58.610 58.000 0.078 0.000 1.193 88 F CB 0.164 39.202 39.000 0.064 0.000 1.128 88 F HN 0.042 nan 8.300 nan 0.000 0.740 89 D N -0.211 120.227 120.400 0.064 0.000 2.358 89 D HA 0.049 4.690 4.640 0.001 0.000 0.244 89 D C -1.035 175.367 176.300 0.171 0.000 1.163 89 D CA 0.304 54.325 54.000 0.034 0.000 0.945 89 D CB 0.486 41.343 40.800 0.096 0.000 1.152 89 D HN 0.083 nan 8.370 nan 0.000 0.451 90 W N -0.102 121.163 121.300 -0.057 0.000 2.578 90 W HA 0.465 5.126 4.660 0.001 0.000 0.346 90 W C -0.498 176.054 176.519 0.055 0.000 1.075 90 W CA -0.644 56.699 57.345 -0.003 0.000 1.233 90 W CB 1.124 30.616 29.460 0.053 0.000 1.358 90 W HN -0.104 nan 8.180 nan 0.000 0.574 91 V N 3.065 123.079 119.914 0.167 0.000 2.588 91 V HA 0.410 4.530 4.120 0.001 0.000 0.304 91 V C -1.181 174.857 176.094 -0.093 0.000 1.042 91 V CA -1.023 61.361 62.300 0.141 0.000 0.877 91 V CB 1.367 33.308 31.823 0.196 0.000 0.996 91 V HN 0.221 nan 8.190 nan 0.000 0.425 92 F N 6.730 126.724 119.950 0.074 0.000 2.363 92 F HA 0.488 5.015 4.527 0.001 0.000 0.366 92 F C -1.994 173.899 175.800 0.154 0.000 1.083 92 F CA -2.212 55.876 58.000 0.147 0.000 1.176 92 F CB 1.487 40.612 39.000 0.208 0.000 1.432 92 F HN 0.324 nan 8.300 nan 0.000 0.482 93 P HA 0.304 nan 4.420 nan 0.000 0.297 93 P C -1.309 175.898 177.300 -0.155 0.000 1.307 93 P CA -0.253 62.790 63.100 -0.095 0.000 0.773 93 P CB 1.902 33.344 31.700 -0.429 0.000 1.265 94 Y N -2.537 117.582 120.300 -0.302 0.000 2.693 94 Y HA 0.401 4.952 4.550 0.001 0.000 0.331 94 Y C 1.630 177.318 175.900 -0.353 0.000 1.092 94 Y CA -1.175 56.676 58.100 -0.415 0.000 1.131 94 Y CB -0.787 37.421 38.460 -0.420 0.000 1.318 94 Y HN 0.418 nan 8.280 nan 0.000 0.510 95 Y N -0.565 119.618 120.300 -0.195 0.000 2.298 95 Y HA -0.054 4.496 4.550 0.001 0.000 0.287 95 Y C 1.981 177.670 175.900 -0.352 0.000 1.164 95 Y CA 1.716 59.661 58.100 -0.259 0.000 1.229 95 Y CB -0.533 37.852 38.460 -0.126 0.000 0.977 95 Y HN 0.637 nan 8.280 nan 0.000 0.538 96 R N 0.689 120.566 120.500 -1.038 0.000 2.310 96 R HA -0.009 4.332 4.340 0.001 0.000 0.202 96 R C 0.088 175.899 176.300 -0.814 0.000 0.933 96 R CA 0.284 55.914 56.100 -0.785 0.000 1.054 96 R CB -0.121 29.655 30.300 -0.874 0.000 0.985 96 R HN 0.330 nan 8.270 nan 0.000 0.489 97 D N 0.555 120.561 120.400 -0.656 0.000 2.519 97 D HA -0.043 4.598 4.640 0.001 0.000 0.238 97 D C 0.994 177.203 176.300 -0.152 0.000 1.192 97 D CA 0.220 54.014 54.000 -0.344 0.000 0.835 97 D CB 0.018 40.743 40.800 -0.125 0.000 0.975 97 D HN 0.548 nan 8.370 nan 0.000 0.490 98 H N -1.481 117.532 119.070 -0.095 0.000 2.491 98 H HA 0.008 4.565 4.556 0.001 0.000 0.290 98 H C 1.877 177.118 175.328 -0.144 0.000 1.050 98 H CA 1.015 57.013 56.048 -0.083 0.000 1.309 98 H CB -0.158 29.555 29.762 -0.082 0.000 1.392 98 H HN 0.118 nan 8.280 nan 0.000 0.554 99 G N 2.023 110.714 108.800 -0.182 0.000 2.394 99 G HA2 -0.190 3.771 3.960 0.001 0.000 0.215 99 G HA3 -0.190 3.771 3.960 0.001 0.000 0.215 99 G C 1.744 176.593 174.900 -0.085 0.000 1.165 99 G CA 0.676 45.714 45.100 -0.103 0.000 0.784 99 G HN 0.376 nan 8.290 nan 0.000 0.535 100 L N 1.542 122.718 121.223 -0.078 0.000 2.056 100 L HA 0.227 4.568 4.340 0.001 0.000 0.207 100 L C 2.942 179.740 176.870 -0.120 0.000 1.078 100 L CA 2.089 56.905 54.840 -0.039 0.000 0.749 100 L CB -0.961 41.127 42.059 0.049 0.000 0.901 100 L HN 0.216 nan 8.230 nan 0.000 0.433 101 A N -0.339 122.362 122.820 -0.198 0.000 1.883 101 A HA -0.226 4.095 4.320 0.001 0.000 0.217 101 A C 2.283 179.661 177.584 -0.344 0.000 1.186 101 A CA 2.108 53.813 52.037 -0.554 0.000 0.624 101 A CB -1.114 17.568 19.000 -0.530 0.000 0.822 101 A HN 0.506 nan 8.150 nan 0.000 0.444 102 L N -0.279 120.830 121.223 -0.189 0.000 2.017 102 L HA -0.069 4.272 4.340 0.001 0.000 0.208 102 L C 2.723 179.518 176.870 -0.125 0.000 1.073 102 L CA 2.320 57.079 54.840 -0.135 0.000 0.745 102 L CB -0.821 41.185 42.059 -0.088 0.000 0.894 102 L HN 0.347 nan 8.230 nan 0.000 0.432 103 A N -1.025 121.728 122.820 -0.112 0.000 1.972 103 A HA -0.189 4.132 4.320 0.001 0.000 0.219 103 A C 2.212 179.685 177.584 -0.186 0.000 1.169 103 A CA 1.749 53.722 52.037 -0.106 0.000 0.635 103 A CB -0.905 18.053 19.000 -0.070 0.000 0.810 103 A HN 0.467 nan 8.150 nan 0.000 0.446 104 L N -1.379 119.727 121.223 -0.196 0.000 2.201 104 L HA 0.149 4.490 4.340 0.001 0.000 0.212 104 L C 1.646 178.412 176.870 -0.173 0.000 1.105 104 L CA 1.946 56.668 54.840 -0.198 0.000 0.775 104 L CB -0.068 41.855 42.059 -0.228 0.000 0.913 104 L HN 0.675 nan 8.230 nan 0.000 0.440 105 G N -1.478 107.222 108.800 -0.166 0.000 2.205 105 G HA2 -0.189 3.772 3.960 0.001 0.000 0.180 105 G HA3 -0.189 3.772 3.960 0.001 0.000 0.180 105 G C 0.346 175.166 174.900 -0.134 0.000 1.004 105 G CA -0.069 44.956 45.100 -0.124 0.000 0.670 105 G HN 0.214 nan 8.290 nan 0.000 0.496 106 I N 2.558 123.011 120.570 -0.195 0.000 2.598 106 I HA 0.170 4.340 4.170 0.001 0.000 0.284 106 I C -1.600 174.446 176.117 -0.119 0.000 1.140 106 I CA -1.484 59.705 61.300 -0.185 0.000 1.420 106 I CB 0.691 38.518 38.000 -0.289 0.000 1.387 106 I HN -0.085 nan 8.210 nan 0.000 0.553 107 P HA -0.001 nan 4.420 nan 0.000 0.264 107 P C 0.763 178.037 177.300 -0.043 0.000 1.183 107 P CA 0.053 63.122 63.100 -0.052 0.000 0.763 107 P CB 0.561 32.238 31.700 -0.038 0.000 0.807 108 L N 2.764 123.968 121.223 -0.032 0.000 2.127 108 L HA -0.234 4.107 4.340 0.001 0.000 0.211 108 L C 2.374 179.242 176.870 -0.004 0.000 1.089 108 L CA 1.647 56.478 54.840 -0.015 0.000 0.757 108 L CB -0.506 41.546 42.059 -0.011 0.000 0.899 108 L HN 0.490 nan 8.230 nan 0.000 0.434 109 K N 0.479 120.874 120.400 -0.009 0.000 2.063 109 K HA -0.239 4.082 4.320 0.001 0.000 0.208 109 K C 1.859 178.458 176.600 -0.001 0.000 1.048 109 K CA 1.788 58.072 56.287 -0.005 0.000 0.928 109 K CB 0.017 32.514 32.500 -0.006 0.000 0.713 109 K HN 0.387 nan 8.250 nan 0.000 0.442 110 E N 0.411 120.607 120.200 -0.007 0.000 2.072 110 E HA -0.115 4.236 4.350 0.001 0.000 0.190 110 E C 2.150 178.755 176.600 0.008 0.000 0.982 110 E CA 0.908 57.307 56.400 -0.002 0.000 0.803 110 E CB 0.006 29.696 29.700 -0.017 0.000 0.755 110 E HN 0.287 nan 8.360 nan 0.000 0.453 111 L N 0.669 121.896 121.223 0.007 0.000 2.017 111 L HA -0.192 4.148 4.340 0.001 0.000 0.208 111 L C 2.433 179.332 176.870 0.048 0.000 1.073 111 L CA 1.036 55.900 54.840 0.041 0.000 0.745 111 L CB -0.339 41.750 42.059 0.050 0.000 0.894 111 L HN 0.177 nan 8.230 nan 0.000 0.432 112 L N -0.775 120.466 121.223 0.031 0.000 2.156 112 L HA -0.056 4.285 4.340 0.001 0.000 0.208 112 L C 2.648 179.504 176.870 -0.024 0.000 1.095 112 L CA 0.985 55.822 54.840 -0.005 0.000 0.770 112 L CB -1.007 41.054 42.059 0.005 0.000 0.914 112 L HN 0.291 nan 8.230 nan 0.000 0.439 113 G N -0.913 107.883 108.800 -0.005 0.000 2.422 113 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 113 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 113 G C 1.560 176.460 174.900 0.001 0.000 1.146 113 G CA 0.259 45.358 45.100 -0.003 0.000 0.769 113 G HN 0.232 nan 8.290 nan 0.000 0.547 114 Q N -0.310 119.497 119.800 0.012 0.000 2.123 114 Q HA 0.010 4.351 4.340 0.001 0.000 0.199 114 Q C 2.573 178.575 176.000 0.002 0.000 0.966 114 Q CA 0.720 56.538 55.803 0.025 0.000 0.845 114 Q CB -0.232 28.541 28.738 0.058 0.000 0.907 114 Q HN 0.330 nan 8.270 nan 0.000 0.439 115 M N -0.036 119.540 119.600 -0.040 0.000 2.213 115 M HA -0.125 4.356 4.480 0.001 0.000 0.263 115 M C 1.716 177.961 176.300 -0.093 0.000 1.062 115 M CA 0.972 56.205 55.300 -0.112 0.000 1.105 115 M CB -0.636 31.788 32.600 -0.293 0.000 1.385 115 M HN 0.126 nan 8.290 nan 0.000 0.417 116 L N -0.496 120.684 121.223 -0.072 0.000 2.585 116 L HA 0.318 4.659 4.340 0.001 0.000 0.226 116 L C 1.095 177.939 176.870 -0.042 0.000 1.113 116 L CA 0.334 55.138 54.840 -0.060 0.000 0.876 116 L CB -0.687 41.338 42.059 -0.058 0.000 1.072 116 L HN 0.413 nan 8.230 nan 0.000 0.468 117 A N -0.132 122.671 122.820 -0.028 0.000 2.739 117 A HA -0.200 4.120 4.320 0.001 0.000 0.296 117 A C 0.864 178.434 177.584 -0.024 0.000 1.488 117 A CA 0.946 52.971 52.037 -0.019 0.000 0.746 117 A CB -2.604 16.378 19.000 -0.030 0.000 1.047 117 A HN 0.446 nan 8.150 nan 0.000 0.477 118 T N -3.161 111.382 114.554 -0.018 0.000 2.923 118 T HA 0.651 5.002 4.350 0.001 0.000 0.281 118 T C 0.960 175.661 174.700 0.002 0.000 0.995 118 T CA -0.143 61.939 62.100 -0.030 0.000 0.985 118 T CB 0.989 69.839 68.868 -0.030 0.000 1.114 118 T HN 0.284 nan 8.240 nan 0.000 0.548 119 K N 0.110 120.499 120.400 -0.018 0.000 2.515 119 K HA 0.037 4.358 4.320 0.001 0.000 0.196 119 K C 2.111 178.766 176.600 0.092 0.000 1.038 119 K CA 0.757 57.077 56.287 0.055 0.000 0.967 119 K CB -0.442 32.053 32.500 -0.008 0.000 0.780 119 K HN 0.687 nan 8.250 nan 0.000 0.483 120 A N 1.648 124.495 122.820 0.045 0.000 2.119 120 A HA -0.106 4.214 4.320 0.001 0.000 0.217 120 A C 0.700 178.311 177.584 0.044 0.000 1.153 120 A CA 0.500 52.559 52.037 0.038 0.000 0.692 120 A CB -0.157 18.852 19.000 0.014 0.000 0.799 120 A HN 0.199 nan 8.150 nan 0.000 0.458 121 D N 0.166 120.601 120.400 0.057 0.000 2.339 121 D HA 0.178 4.818 4.640 0.001 0.000 0.256 121 D C -1.347 174.992 176.300 0.066 0.000 1.214 121 D CA -2.142 51.891 54.000 0.054 0.000 0.877 121 D CB 1.085 41.917 40.800 0.054 0.000 1.111 121 D HN 0.100 nan 8.370 nan 0.000 0.478 122 P HA -0.090 nan 4.420 nan 0.000 0.226 122 P C 0.252 177.550 177.300 -0.003 0.000 1.153 122 P CA 0.563 63.671 63.100 0.013 0.000 0.777 122 P CB 0.380 32.077 31.700 -0.005 0.000 0.794 123 N N 0.588 119.295 118.700 0.012 0.000 2.383 123 N HA 0.022 4.763 4.740 0.001 0.000 0.192 123 N C 0.234 175.754 175.510 0.018 0.000 1.141 123 N CA 0.097 53.145 53.050 -0.003 0.000 0.851 123 N CB -0.148 38.343 38.487 0.007 0.000 0.976 123 N HN 0.181 nan 8.380 nan 0.000 0.465 124 K N -0.168 120.276 120.400 0.074 0.000 3.035 124 K HA -0.205 4.115 4.320 0.001 0.000 0.262 124 K C 0.669 177.368 176.600 0.166 0.000 1.024 124 K CA 0.381 56.786 56.287 0.197 0.000 0.748 124 K CB -1.873 30.716 32.500 0.149 0.000 1.247 124 K HN 0.404 nan 8.250 nan 0.000 0.482 125 G N 0.451 109.301 108.800 0.084 0.000 2.258 125 G HA2 -0.382 3.579 3.960 0.001 0.000 0.274 125 G HA3 -0.382 3.579 3.960 0.001 0.000 0.274 125 G C 0.913 175.815 174.900 0.003 0.000 1.021 125 G CA 0.708 45.828 45.100 0.034 0.000 0.798 125 G HN 0.362 nan 8.290 nan 0.000 0.507 126 R N -0.600 119.896 120.500 -0.006 0.000 2.115 126 R HA 0.032 4.373 4.340 0.001 0.000 0.226 126 R C 1.478 177.721 176.300 -0.095 0.000 1.100 126 R CA 1.266 57.338 56.100 -0.047 0.000 0.980 126 R CB -0.034 30.234 30.300 -0.053 0.000 0.875 126 R HN 0.706 nan 8.270 nan 0.000 0.445 127 Q N -0.050 119.682 119.800 -0.114 0.000 2.418 127 Q HA 0.391 4.732 4.340 0.001 0.000 0.276 127 Q C 0.026 175.891 176.000 -0.226 0.000 1.081 127 Q CA -0.743 54.921 55.803 -0.231 0.000 0.864 127 Q CB 1.999 30.527 28.738 -0.350 0.000 1.384 127 Q HN 0.020 nan 8.270 nan 0.000 0.467 128 M N -0.628 118.759 119.600 -0.355 0.000 2.157 128 M HA 0.412 4.893 4.480 0.001 0.000 0.304 128 M C -2.363 173.926 176.300 -0.018 0.000 1.171 128 M CA -1.546 53.631 55.300 -0.204 0.000 1.157 128 M CB -0.461 31.981 32.600 -0.263 0.000 1.403 128 M HN 0.130 nan 8.290 nan 0.000 0.473 129 P HA -0.068 nan 4.420 nan 0.000 0.269 129 P C -0.637 176.922 177.300 0.432 0.000 1.211 129 P CA 0.553 63.779 63.100 0.209 0.000 0.781 129 P CB 0.226 32.025 31.700 0.165 0.000 0.877 130 E N -0.938 119.453 120.200 0.319 0.000 2.957 130 E HA -0.230 4.121 4.350 0.001 0.000 0.287 130 E C -0.599 176.095 176.600 0.157 0.000 0.976 130 E CA 0.936 57.524 56.400 0.315 0.000 0.907 130 E CB -2.429 27.522 29.700 0.419 0.000 1.456 130 E HN 0.651 nan 8.360 nan 0.000 0.421 131 H N -0.805 118.353 119.070 0.147 0.000 2.471 131 H HA 0.240 4.797 4.556 0.001 0.000 0.234 131 H C -2.163 173.220 175.328 0.093 0.000 1.388 131 H CA -1.252 54.858 56.048 0.103 0.000 1.198 131 H CB 0.634 30.425 29.762 0.048 0.000 1.714 131 H HN 0.098 nan 8.280 nan 0.000 0.536 132 P HA 0.393 nan 4.420 nan 0.000 0.274 132 P C 0.298 177.745 177.300 0.244 0.000 1.256 132 P CA -0.195 63.037 63.100 0.220 0.000 0.795 132 P CB 1.721 33.573 31.700 0.254 0.000 1.038 133 G N -1.306 107.631 108.800 0.230 0.000 2.658 133 G HA2 0.439 4.399 3.960 0.001 0.000 0.301 133 G HA3 0.439 4.399 3.960 0.001 0.000 0.301 133 G C -1.739 173.227 174.900 0.111 0.000 1.481 133 G CA -0.294 44.920 45.100 0.190 0.000 0.931 133 G HN 0.562 nan 8.290 nan 0.000 0.573 134 S N 0.986 116.748 115.700 0.104 0.000 2.677 134 S HA 0.452 4.922 4.470 0.001 0.000 0.283 134 S C 0.895 175.445 174.600 -0.084 0.000 1.159 134 S CA -0.407 57.788 58.200 -0.007 0.000 1.001 134 S CB 1.769 64.944 63.200 -0.041 0.000 1.032 134 S HN 0.840 nan 8.310 nan 0.000 0.487 135 K N 3.828 124.168 120.400 -0.100 0.000 2.057 135 K HA 0.021 4.342 4.320 0.001 0.000 0.206 135 K C 2.018 178.520 176.600 -0.163 0.000 1.050 135 K CA 1.478 57.680 56.287 -0.142 0.000 0.935 135 K CB -0.536 31.916 32.500 -0.080 0.000 0.715 135 K HN 0.729 nan 8.250 nan 0.000 0.439 136 A N 1.230 123.985 122.820 -0.107 0.000 1.917 136 A HA -0.129 4.192 4.320 0.001 0.000 0.219 136 A C 1.783 179.295 177.584 -0.119 0.000 1.182 136 A CA 1.420 53.402 52.037 -0.091 0.000 0.633 136 A CB -0.421 18.541 19.000 -0.064 0.000 0.819 136 A HN 0.374 nan 8.150 nan 0.000 0.448 137 L N -0.658 120.481 121.223 -0.139 0.000 2.872 137 L HA 0.138 4.478 4.340 0.001 0.000 0.245 137 L C -0.295 176.445 176.870 -0.216 0.000 1.211 137 L CA -0.341 54.413 54.840 -0.144 0.000 1.013 137 L CB -0.261 41.720 42.059 -0.130 0.000 1.326 137 L HN 0.341 nan 8.230 nan 0.000 0.525 138 N N 0.549 119.000 118.700 -0.416 0.000 2.716 138 N HA -0.276 4.465 4.740 0.001 0.000 0.250 138 N C -0.418 174.810 175.510 -0.469 0.000 1.033 138 N CA 0.898 53.429 53.050 -0.864 0.000 0.727 138 N CB -1.369 36.328 38.487 -1.316 0.000 0.950 138 N HN 0.218 nan 8.380 nan 0.000 0.541 139 F N 1.117 120.832 119.950 -0.391 0.000 2.309 139 F HA 0.358 4.886 4.527 0.001 0.000 0.366 139 F C 0.136 175.820 175.800 -0.193 0.000 1.104 139 F CA -1.326 56.534 58.000 -0.232 0.000 1.179 139 F CB 0.053 38.959 39.000 -0.156 0.000 1.437 139 F HN 0.036 nan 8.300 nan 0.000 0.528 140 F N 4.613 124.221 119.950 -0.571 0.000 2.569 140 F HA 0.019 4.546 4.527 0.001 0.000 0.395 140 F C 1.068 176.667 175.800 -0.336 0.000 1.028 140 F CA 0.248 57.959 58.000 -0.482 0.000 1.158 140 F CB -0.037 38.466 39.000 -0.829 0.000 1.023 140 F HN 0.342 nan 8.300 nan 0.000 0.547 141 T N 6.214 120.486 114.554 -0.471 0.000 2.800 141 T HA 0.028 4.379 4.350 0.001 0.000 0.283 141 T C 0.330 174.881 174.700 -0.249 0.000 0.999 141 T CA -0.368 61.550 62.100 -0.303 0.000 1.176 141 T CB -0.183 68.524 68.868 -0.268 0.000 0.973 141 T HN 0.370 nan 8.240 nan 0.000 0.519 142 V N 3.181 123.016 119.914 -0.131 0.000 2.720 142 V HA 0.278 4.399 4.120 0.001 0.000 0.307 142 V C 0.761 176.894 176.094 0.064 0.000 1.071 142 V CA 0.035 62.287 62.300 -0.080 0.000 1.199 142 V CB -0.037 31.709 31.823 -0.129 0.000 0.900 142 V HN 1.082 nan 8.190 nan 0.000 0.494 143 A N 4.030 126.906 122.820 0.093 0.000 2.355 143 A HA 0.641 4.962 4.320 0.001 0.000 0.324 143 A C 0.975 178.698 177.584 0.231 0.000 1.117 143 A CA -0.202 51.942 52.037 0.178 0.000 0.785 143 A CB 1.571 20.676 19.000 0.175 0.000 1.254 143 A HN 0.761 nan 8.150 nan 0.000 0.453 144 S N 1.161 117.020 115.700 0.265 0.000 2.371 144 S HA 0.020 4.491 4.470 0.001 0.000 0.224 144 S C -1.422 173.309 174.600 0.219 0.000 1.029 144 S CA 0.868 59.232 58.200 0.273 0.000 0.978 144 S CB -1.084 62.233 63.200 0.196 0.000 0.833 144 S HN 0.793 nan 8.310 nan 0.000 0.466 145 P HA 0.095 nan 4.420 nan 0.000 0.266 145 P C -0.284 177.150 177.300 0.224 0.000 1.215 145 P CA 0.020 63.222 63.100 0.170 0.000 0.763 145 P CB 0.105 31.886 31.700 0.135 0.000 0.806 146 I N 2.675 123.375 120.570 0.217 0.000 2.821 146 I HA -0.147 4.023 4.170 0.001 0.000 0.294 146 I C 1.642 177.892 176.117 0.221 0.000 1.210 146 I CA 1.043 62.487 61.300 0.240 0.000 1.430 146 I CB -1.023 37.084 38.000 0.179 0.000 1.356 146 I HN 0.745 nan 8.210 nan 0.000 0.563 147 A N 4.752 127.753 122.820 0.302 0.000 3.413 147 A HA -0.264 4.057 4.320 0.001 0.000 0.268 147 A C 1.878 179.559 177.584 0.161 0.000 1.128 147 A CA 1.457 53.605 52.037 0.184 0.000 1.062 147 A CB -2.214 16.843 19.000 0.096 0.000 1.121 147 A HN 0.929 nan 8.150 nan 0.000 0.895 148 S N 0.356 116.230 115.700 0.290 0.000 2.469 148 S HA -0.195 4.276 4.470 0.001 0.000 0.238 148 S C 1.542 176.307 174.600 0.276 0.000 0.998 148 S CA 1.297 59.636 58.200 0.231 0.000 0.957 148 S CB -0.858 62.479 63.200 0.228 0.000 0.764 148 S HN 1.290 nan 8.310 nan 0.000 0.514 149 H N 0.392 119.592 119.070 0.216 0.000 2.539 149 H HA 0.317 4.874 4.556 0.001 0.000 0.267 149 H C 1.672 177.081 175.328 0.136 0.000 0.982 149 H CA 0.502 56.721 56.048 0.284 0.000 1.146 149 H CB -0.830 29.184 29.762 0.420 0.000 1.382 149 H HN 0.356 nan 8.280 nan 0.000 0.577 150 V N 1.967 121.706 119.914 -0.293 0.000 2.323 150 V HA -0.104 4.016 4.120 0.001 0.000 0.244 150 V C -0.325 175.630 176.094 -0.231 0.000 1.041 150 V CA 1.623 63.742 62.300 -0.302 0.000 1.025 150 V CB -1.167 30.410 31.823 -0.411 0.000 0.656 150 V HN 0.383 nan 8.190 nan 0.000 0.451 151 P HA -0.062 nan 4.420 nan 0.000 0.216 151 P C -1.377 175.818 177.300 -0.175 0.000 1.153 151 P CA 1.664 64.678 63.100 -0.142 0.000 0.848 151 P CB -1.069 30.592 31.700 -0.066 0.000 0.787 152 P HA -0.132 nan 4.420 nan 0.000 0.217 152 P C 1.450 178.307 177.300 -0.739 0.000 1.150 152 P CA 1.781 64.711 63.100 -0.283 0.000 0.832 152 P CB -0.596 31.047 31.700 -0.095 0.000 0.787 153 A N 0.188 122.376 122.820 -1.053 0.000 1.908 153 A HA -0.168 4.152 4.320 0.001 0.000 0.218 153 A C 2.325 179.438 177.584 -0.785 0.000 1.181 153 A CA 2.235 53.331 52.037 -1.570 0.000 0.627 153 A CB -1.647 16.765 19.000 -0.978 0.000 0.818 153 A HN 0.193 nan 8.150 nan 0.000 0.445 154 A N -0.569 121.997 122.820 -0.424 0.000 1.902 154 A HA 0.101 4.422 4.320 0.001 0.000 0.217 154 A C 2.416 179.772 177.584 -0.381 0.000 1.181 154 A CA 2.012 53.869 52.037 -0.300 0.000 0.623 154 A CB -1.382 17.494 19.000 -0.205 0.000 0.818 154 A HN 0.744 nan 8.150 nan 0.000 0.443 155 G N -0.604 107.990 108.800 -0.343 0.000 2.402 155 G HA2 0.026 3.987 3.960 0.001 0.000 0.216 155 G HA3 0.026 3.987 3.960 0.001 0.000 0.216 155 G C 1.760 176.458 174.900 -0.338 0.000 1.162 155 G CA 1.409 46.339 45.100 -0.283 0.000 0.777 155 G HN 0.799 nan 8.290 nan 0.000 0.539 156 A N 1.227 123.785 122.820 -0.436 0.000 1.908 156 A HA 0.218 4.539 4.320 0.001 0.000 0.218 156 A C 2.813 180.125 177.584 -0.453 0.000 1.181 156 A CA 2.351 54.096 52.037 -0.487 0.000 0.627 156 A CB -0.798 17.893 19.000 -0.515 0.000 0.818 156 A HN 0.797 nan 8.150 nan 0.000 0.445 157 A N -0.112 122.454 122.820 -0.423 0.000 1.902 157 A HA -0.070 4.250 4.320 0.001 0.000 0.217 157 A C 2.104 179.505 177.584 -0.305 0.000 1.181 157 A CA 1.492 53.320 52.037 -0.349 0.000 0.623 157 A CB -0.598 18.197 19.000 -0.342 0.000 0.818 157 A HN 0.508 nan 8.150 nan 0.000 0.443 158 I N -0.759 119.614 120.570 -0.328 0.000 2.286 158 I HA -0.210 3.961 4.170 0.001 0.000 0.248 158 I C 2.809 178.789 176.117 -0.228 0.000 1.115 158 I CA 1.445 62.568 61.300 -0.296 0.000 1.392 158 I CB -0.249 37.533 38.000 -0.362 0.000 1.065 158 I HN 0.406 nan 8.210 nan 0.000 0.418 159 S N 0.817 116.373 115.700 -0.240 0.000 2.368 159 S HA -0.185 4.286 4.470 0.001 0.000 0.225 159 S C 2.140 176.625 174.600 -0.193 0.000 1.030 159 S CA 1.397 59.476 58.200 -0.202 0.000 0.999 159 S CB -0.145 62.915 63.200 -0.233 0.000 0.844 159 S HN 0.279 nan 8.310 nan 0.000 0.459 160 M N 0.971 120.426 119.600 -0.241 0.000 2.149 160 M HA -0.121 4.360 4.480 0.001 0.000 0.261 160 M C 2.341 178.556 176.300 -0.140 0.000 1.064 160 M CA 1.711 56.887 55.300 -0.206 0.000 1.102 160 M CB -0.376 32.074 32.600 -0.249 0.000 1.369 160 M HN 0.289 nan 8.290 nan 0.000 0.408 161 K N 1.207 121.519 120.400 -0.147 0.000 2.001 161 K HA -0.122 4.198 4.320 0.001 0.000 0.208 161 K C 1.804 178.353 176.600 -0.085 0.000 1.048 161 K CA 1.267 57.488 56.287 -0.110 0.000 0.932 161 K CB -0.141 32.283 32.500 -0.127 0.000 0.715 161 K HN 0.296 nan 8.250 nan 0.000 0.437 162 L N 0.948 122.114 121.223 -0.094 0.000 2.083 162 L HA -0.160 4.181 4.340 0.001 0.000 0.209 162 L C 2.209 179.049 176.870 -0.051 0.000 1.083 162 L CA 0.983 55.782 54.840 -0.068 0.000 0.752 162 L CB -0.295 41.721 42.059 -0.072 0.000 0.899 162 L HN 0.234 nan 8.230 nan 0.000 0.433 163 L N -0.647 120.541 121.223 -0.058 0.000 2.599 163 L HA 0.069 4.410 4.340 0.001 0.000 0.230 163 L C 0.558 177.417 176.870 -0.019 0.000 1.141 163 L CA -0.031 54.788 54.840 -0.036 0.000 0.877 163 L CB -0.186 41.847 42.059 -0.043 0.000 1.009 163 L HN 0.247 nan 8.230 nan 0.000 0.447 164 R N -0.183 120.302 120.500 -0.025 0.000 3.333 164 R HA -0.188 4.153 4.340 0.001 0.000 0.256 164 R C 1.303 177.619 176.300 0.026 0.000 1.010 164 R CA 0.708 56.806 56.100 -0.003 0.000 0.680 164 R CB -2.334 27.969 30.300 0.005 0.000 1.102 164 R HN 0.507 nan 8.270 nan 0.000 0.440 165 T N -3.945 110.619 114.554 0.016 0.000 3.043 165 T HA 0.150 4.501 4.350 0.001 0.000 0.263 165 T C 1.548 176.351 174.700 0.172 0.000 1.094 165 T CA 0.910 63.053 62.100 0.073 0.000 1.127 165 T CB 0.537 69.404 68.868 -0.002 0.000 0.905 165 T HN 0.788 nan 8.240 nan 0.000 0.490 166 G N 0.974 109.836 108.800 0.104 0.000 2.159 166 G HA2 -0.249 3.711 3.960 0.001 0.000 0.256 166 G HA3 -0.249 3.711 3.960 0.001 0.000 0.256 166 G C -0.121 174.887 174.900 0.179 0.000 0.977 166 G CA 0.257 45.465 45.100 0.179 0.000 0.652 166 G HN 0.695 nan 8.290 nan 0.000 0.531 167 Q N -0.953 118.779 119.800 -0.114 0.000 2.249 167 Q HA 0.703 5.043 4.340 0.001 0.000 0.226 167 Q C -0.021 175.873 176.000 -0.176 0.000 0.983 167 Q CA -0.489 55.074 55.803 -0.400 0.000 0.930 167 Q CB 2.076 30.448 28.738 -0.610 0.000 1.193 167 Q HN 0.227 nan 8.270 nan 0.000 0.508 168 V N 0.020 119.849 119.914 -0.142 0.000 2.876 168 V HA 0.712 4.833 4.120 0.001 0.000 0.312 168 V C -1.240 174.819 176.094 -0.060 0.000 1.085 168 V CA -0.883 61.360 62.300 -0.096 0.000 0.945 168 V CB 2.026 33.822 31.823 -0.045 0.000 1.017 168 V HN 0.820 nan 8.190 nan 0.000 0.428 169 A N 3.065 125.824 122.820 -0.102 0.000 2.304 169 A HA 0.839 5.160 4.320 0.001 0.000 0.314 169 A C -0.599 176.929 177.584 -0.094 0.000 1.187 169 A CA -0.553 51.477 52.037 -0.011 0.000 0.810 169 A CB 1.350 20.279 19.000 -0.118 0.000 1.183 169 A HN 1.349 nan 8.150 nan 0.000 0.487 170 V N -0.061 119.876 119.914 0.039 0.000 2.483 170 V HA 0.736 4.856 4.120 0.001 0.000 0.295 170 V C -0.090 176.047 176.094 0.072 0.000 1.035 170 V CA -0.891 61.390 62.300 -0.032 0.000 0.896 170 V CB 0.726 32.557 31.823 0.012 0.000 0.986 170 V HN 1.116 nan 8.190 nan 0.000 0.447 171 C N 5.614 124.906 119.300 -0.013 0.000 2.346 171 C HA 0.851 5.312 4.460 0.001 0.000 0.326 171 C C 0.437 175.581 174.990 0.256 0.000 1.224 171 C CA 0.559 59.701 59.018 0.208 0.000 1.408 171 C CB 0.407 28.233 27.740 0.144 0.000 2.089 171 C HN 1.277 nan 8.230 nan 0.000 0.456 172 T N 2.980 117.712 114.554 0.296 0.000 2.895 172 T HA 0.912 5.263 4.350 0.001 0.000 0.283 172 T C -0.726 174.125 174.700 0.251 0.000 1.014 172 T CA -0.419 61.724 62.100 0.071 0.000 1.037 172 T CB 1.502 70.455 68.868 0.141 0.000 1.006 172 T HN 1.069 nan 8.240 nan 0.000 0.468 173 F N -1.665 118.313 119.950 0.047 0.000 2.741 173 F HA 0.780 5.308 4.527 0.001 0.000 0.311 173 F C -0.006 175.488 175.800 -0.509 0.000 1.149 173 F CA -1.496 56.249 58.000 -0.425 0.000 0.930 173 F CB 0.549 39.528 39.000 -0.034 0.000 1.312 173 F HN 0.905 nan 8.300 nan 0.000 0.450 174 G N -0.247 108.248 108.800 -0.508 0.000 2.543 174 G HA2 0.342 4.303 3.960 0.001 0.000 0.290 174 G HA3 0.342 4.303 3.960 0.001 0.000 0.290 174 G C 0.153 175.067 174.900 0.024 0.000 1.310 174 G CA -0.087 44.912 45.100 -0.168 0.000 1.025 174 G HN 0.888 nan 8.290 nan 0.000 0.502 175 D N -0.714 119.692 120.400 0.009 0.000 2.144 175 D HA -0.094 4.547 4.640 0.001 0.000 0.200 175 D C 2.213 178.482 176.300 -0.050 0.000 0.978 175 D CA 1.244 55.254 54.000 0.017 0.000 0.833 175 D CB -0.783 40.059 40.800 0.071 0.000 0.961 175 D HN 0.475 nan 8.370 nan 0.000 0.470 176 G N 1.216 110.002 108.800 -0.024 0.000 2.422 176 G HA2 -0.173 3.788 3.960 0.001 0.000 0.218 176 G HA3 -0.173 3.788 3.960 0.001 0.000 0.218 176 G C 1.869 176.701 174.900 -0.114 0.000 1.146 176 G CA 1.460 46.528 45.100 -0.054 0.000 0.769 176 G HN 0.486 nan 8.290 nan 0.000 0.547 177 A N 0.915 123.673 122.820 -0.104 0.000 2.024 177 A HA -0.081 4.240 4.320 0.001 0.000 0.220 177 A C 2.581 179.871 177.584 -0.491 0.000 1.164 177 A CA 2.591 54.531 52.037 -0.162 0.000 0.643 177 A CB -1.091 17.877 19.000 -0.052 0.000 0.806 177 A HN 0.614 nan 8.150 nan 0.000 0.451 178 T N -3.484 110.611 114.554 -0.765 0.000 3.098 178 T HA -0.009 4.342 4.350 0.001 0.000 0.266 178 T C 1.564 175.767 174.700 -0.828 0.000 1.145 178 T CA 1.570 62.761 62.100 -1.514 0.000 1.092 178 T CB -0.304 67.800 68.868 -1.272 0.000 0.908 178 T HN 0.244 nan 8.240 nan 0.000 0.526 179 S N 0.563 116.020 115.700 -0.406 0.000 2.524 179 S HA 0.139 4.610 4.470 0.001 0.000 0.216 179 S C 0.640 175.187 174.600 -0.089 0.000 0.987 179 S CA -0.152 57.922 58.200 -0.210 0.000 0.909 179 S CB 0.018 63.120 63.200 -0.162 0.000 0.781 179 S HN 0.543 nan 8.310 nan 0.000 0.521 180 E N 0.898 121.066 120.200 -0.053 0.000 2.354 180 E HA 0.176 4.526 4.350 0.001 0.000 0.269 180 E C 1.278 177.956 176.600 0.130 0.000 1.036 180 E CA -0.038 56.386 56.400 0.040 0.000 0.876 180 E CB 0.998 30.733 29.700 0.057 0.000 1.009 180 E HN 0.290 nan 8.360 nan 0.000 0.416 181 G N 3.186 112.047 108.800 0.102 0.000 2.442 181 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 181 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 181 G C 0.921 175.927 174.900 0.176 0.000 1.141 181 G CA 0.527 45.711 45.100 0.141 0.000 0.763 181 G HN 0.409 nan 8.290 nan 0.000 0.554 182 D N -0.664 119.805 120.400 0.114 0.000 2.218 182 D HA -0.086 4.555 4.640 0.001 0.000 0.204 182 D C 1.718 178.026 176.300 0.013 0.000 0.976 182 D CA 0.444 54.477 54.000 0.056 0.000 0.853 182 D CB -0.255 40.571 40.800 0.043 0.000 0.939 182 D HN 0.569 nan 8.370 nan 0.000 0.481 183 W N 0.316 121.537 121.300 -0.131 0.000 2.354 183 W HA -0.284 4.377 4.660 0.001 0.000 0.315 183 W C 2.231 178.611 176.519 -0.232 0.000 1.206 183 W CA 1.364 58.547 57.345 -0.272 0.000 1.290 183 W CB -0.759 28.531 29.460 -0.284 0.000 1.152 183 W HN 0.051 nan 8.180 nan 0.000 0.489 184 Y N 1.226 121.592 120.300 0.110 0.000 2.145 184 Y HA -0.181 4.370 4.550 0.001 0.000 0.286 184 Y C 2.333 178.161 175.900 -0.120 0.000 1.145 184 Y CA 2.966 61.101 58.100 0.058 0.000 1.148 184 Y CB -1.108 37.528 38.460 0.294 0.000 0.981 184 Y HN 0.008 nan 8.280 nan 0.000 0.507 185 A N 0.245 123.020 122.820 -0.075 0.000 1.908 185 A HA -0.112 4.209 4.320 0.001 0.000 0.218 185 A C 2.459 179.856 177.584 -0.312 0.000 1.181 185 A CA 1.831 53.761 52.037 -0.178 0.000 0.627 185 A CB -1.722 17.268 19.000 -0.017 0.000 0.818 185 A HN 0.623 nan 8.150 nan 0.000 0.445 186 G N -0.080 108.502 108.800 -0.363 0.000 2.404 186 G HA2 -0.149 3.812 3.960 0.001 0.000 0.215 186 G HA3 -0.149 3.812 3.960 0.001 0.000 0.215 186 G C 1.516 176.035 174.900 -0.636 0.000 1.174 186 G CA 1.058 45.923 45.100 -0.391 0.000 0.780 186 G HN 0.473 nan 8.290 nan 0.000 0.537 187 I N 0.934 120.813 120.570 -1.152 0.000 2.394 187 I HA -0.164 4.007 4.170 0.001 0.000 0.251 187 I C 2.564 177.956 176.117 -1.209 0.000 1.136 187 I CA 1.178 61.502 61.300 -1.626 0.000 1.425 187 I CB -0.249 36.259 38.000 -2.487 0.000 1.079 187 I HN 0.174 nan 8.210 nan 0.000 0.425 188 N N 1.244 119.356 118.700 -0.980 0.000 2.120 188 N HA -0.262 4.479 4.740 0.001 0.000 0.188 188 N C 1.843 177.232 175.510 -0.202 0.000 1.024 188 N CA 1.473 54.238 53.050 -0.475 0.000 0.852 188 N CB -0.253 37.972 38.487 -0.436 0.000 1.003 188 N HN 0.205 nan 8.380 nan 0.000 0.424 189 F N 1.189 120.922 119.950 -0.362 0.000 2.134 189 F HA 0.118 4.646 4.527 0.001 0.000 0.299 189 F C 2.196 177.866 175.800 -0.216 0.000 1.097 189 F CA 1.192 59.048 58.000 -0.239 0.000 1.264 189 F CB -1.129 37.742 39.000 -0.215 0.000 1.001 189 F HN 0.130 nan 8.300 nan 0.000 0.479 190 A N 0.323 122.977 122.820 -0.277 0.000 1.908 190 A HA -0.055 4.266 4.320 0.001 0.000 0.218 190 A C 2.482 179.937 177.584 -0.215 0.000 1.181 190 A CA 2.054 53.908 52.037 -0.306 0.000 0.627 190 A CB -1.491 17.437 19.000 -0.120 0.000 0.818 190 A HN 0.462 nan 8.150 nan 0.000 0.445 191 A N -0.657 122.043 122.820 -0.199 0.000 1.898 191 A HA 0.023 4.343 4.320 0.001 0.000 0.216 191 A C 2.201 179.750 177.584 -0.059 0.000 1.181 191 A CA 1.687 53.658 52.037 -0.110 0.000 0.620 191 A CB -0.923 18.021 19.000 -0.093 0.000 0.819 191 A HN 0.402 nan 8.150 nan 0.000 0.442 192 V N 0.118 120.011 119.914 -0.035 0.000 2.407 192 V HA -0.216 3.905 4.120 0.001 0.000 0.248 192 V C 2.312 178.394 176.094 -0.021 0.000 1.055 192 V CA 1.879 64.187 62.300 0.012 0.000 1.049 192 V CB -0.620 31.257 31.823 0.089 0.000 0.662 192 V HN 0.551 nan 8.190 nan 0.000 0.455 193 Q N -0.288 119.448 119.800 -0.106 0.000 2.403 193 Q HA 0.176 4.516 4.340 0.001 0.000 0.203 193 Q C 1.689 177.607 176.000 -0.136 0.000 0.932 193 Q CA 0.747 56.457 55.803 -0.156 0.000 0.945 193 Q CB 0.205 28.733 28.738 -0.351 0.000 1.045 193 Q HN 0.745 nan 8.270 nan 0.000 0.511 194 G N 1.594 110.329 108.800 -0.108 0.000 2.305 194 G HA2 -0.293 3.668 3.960 0.001 0.000 0.287 194 G HA3 -0.293 3.668 3.960 0.001 0.000 0.287 194 G C 0.298 175.130 174.900 -0.113 0.000 1.036 194 G CA 0.395 45.445 45.100 -0.083 0.000 0.887 194 G HN 0.528 nan 8.290 nan 0.000 0.505 195 A N 0.506 123.228 122.820 -0.163 0.000 2.407 195 A HA 0.667 4.988 4.320 0.001 0.000 0.248 195 A C -0.941 176.544 177.584 -0.166 0.000 1.082 195 A CA -0.882 51.039 52.037 -0.194 0.000 0.785 195 A CB 0.586 19.419 19.000 -0.277 0.000 1.020 195 A HN 0.277 nan 8.150 nan 0.000 0.489 196 P HA 0.301 nan 4.420 nan 0.000 0.237 196 P C -0.645 176.525 177.300 -0.215 0.000 1.788 196 P CA 0.552 63.559 63.100 -0.155 0.000 1.061 196 P CB -0.114 31.508 31.700 -0.130 0.000 1.967 197 A N 2.244 124.904 122.820 -0.267 0.000 2.371 197 A HA 0.607 4.928 4.320 0.001 0.000 0.311 197 A C -0.772 176.495 177.584 -0.529 0.000 1.068 197 A CA -0.665 51.090 52.037 -0.470 0.000 0.744 197 A CB 1.820 20.435 19.000 -0.642 0.000 1.239 197 A HN 0.133 nan 8.150 nan 0.000 0.435 198 V N 2.543 122.122 119.914 -0.559 0.000 2.378 198 V HA 0.417 4.537 4.120 0.001 0.000 0.288 198 V C -1.222 174.580 176.094 -0.488 0.000 1.016 198 V CA -0.217 61.860 62.300 -0.372 0.000 0.840 198 V CB 0.688 32.405 31.823 -0.176 0.000 0.994 198 V HN 0.685 nan 8.190 nan 0.000 0.431 199 F N 5.516 125.485 119.950 0.032 0.000 2.405 199 F HA 0.610 5.138 4.527 0.001 0.000 0.355 199 F C 0.266 176.143 175.800 0.129 0.000 1.121 199 F CA -0.543 57.562 58.000 0.174 0.000 1.112 199 F CB 0.989 40.095 39.000 0.177 0.000 1.126 199 F HN 0.254 nan 8.300 nan 0.000 0.481 200 I N 3.362 123.932 120.570 0.000 0.000 2.389 200 I HA 0.566 4.737 4.170 0.001 0.000 0.288 200 I C -0.293 175.350 176.117 -0.790 0.000 0.999 200 I CA -0.933 60.225 61.300 -0.236 0.000 1.129 200 I CB 1.693 39.597 38.000 -0.159 0.000 1.288 200 I HN 0.633 nan 8.210 nan 0.000 0.444 201 A N 5.367 127.894 122.820 -0.489 0.000 2.274 201 A HA 0.478 4.799 4.320 0.001 0.000 0.309 201 A C -0.128 177.297 177.584 -0.265 0.000 1.226 201 A CA -0.469 51.275 52.037 -0.488 0.000 0.853 201 A CB 0.289 19.297 19.000 0.014 0.000 1.146 201 A HN 0.764 nan 8.150 nan 0.000 0.518 202 E N 2.341 122.406 120.200 -0.224 0.000 2.136 202 E HA 0.062 4.412 4.350 0.001 0.000 0.246 202 E C -0.682 175.812 176.600 -0.177 0.000 1.017 202 E CA -0.451 55.866 56.400 -0.138 0.000 0.883 202 E CB 0.390 30.151 29.700 0.101 0.000 1.199 202 E HN 0.591 nan 8.360 nan 0.000 0.447 203 N N 2.667 121.194 118.700 -0.289 0.000 2.402 203 N HA -0.010 4.731 4.740 0.001 0.000 0.252 203 N C -0.104 174.941 175.510 -0.775 0.000 1.118 203 N CA -0.189 52.604 53.050 -0.429 0.000 0.945 203 N CB 0.353 38.574 38.487 -0.444 0.000 1.147 203 N HN 0.271 nan 8.380 nan 0.000 0.495 204 N N 3.484 121.847 118.700 -0.561 0.000 2.214 204 N HA 0.091 4.832 4.740 0.001 0.000 0.214 204 N C -0.411 174.879 175.510 -0.366 0.000 1.132 204 N CA -0.390 52.321 53.050 -0.565 0.000 0.856 204 N CB -0.445 37.920 38.487 -0.202 0.000 1.020 204 N HN 0.402 nan 8.380 nan 0.000 0.509 205 F N -2.279 117.612 119.950 -0.098 0.000 2.871 205 F HA -0.268 4.259 4.527 0.001 0.000 0.326 205 F C -0.825 174.743 175.800 -0.387 0.000 0.675 205 F CA 0.498 58.389 58.000 -0.180 0.000 1.188 205 F CB -2.677 36.165 39.000 -0.263 0.000 1.567 205 F HN 0.085 nan 8.300 nan 0.000 0.325 206 Y N -1.156 119.206 120.300 0.103 0.000 2.544 206 Y HA 0.705 5.255 4.550 0.001 0.000 0.342 206 Y C -0.156 175.765 175.900 0.035 0.000 1.062 206 Y CA -1.422 56.715 58.100 0.062 0.000 1.023 206 Y CB 2.042 40.531 38.460 0.047 0.000 1.308 206 Y HN 0.015 nan 8.280 nan 0.000 0.457 207 A N 3.975 126.879 122.820 0.140 0.000 2.842 207 A HA 0.731 5.052 4.320 0.001 0.000 0.339 207 A C 0.313 177.846 177.584 -0.084 0.000 1.177 207 A CA -0.265 51.803 52.037 0.052 0.000 0.797 207 A CB -0.739 18.266 19.000 0.008 0.000 1.094 207 A HN 0.880 nan 8.150 nan 0.000 0.474 208 I N -0.253 120.224 120.570 -0.154 0.000 4.898 208 I HA -0.448 3.723 4.170 0.001 0.000 0.038 208 I C 2.104 177.991 176.117 -0.383 0.000 0.635 208 I CA 2.041 63.114 61.300 -0.380 0.000 0.261 208 I CB -1.214 36.487 38.000 -0.499 0.000 0.348 208 I HN 0.760 nan 8.210 nan 0.000 0.150 209 S N 0.640 116.024 115.700 -0.528 0.000 2.520 209 S HA 0.320 4.791 4.470 0.001 0.000 0.219 209 S C 0.273 174.650 174.600 -0.371 0.000 1.028 209 S CA -0.076 57.543 58.200 -0.969 0.000 0.921 209 S CB 0.347 63.048 63.200 -0.833 0.000 0.844 209 S HN 0.281 nan 8.310 nan 0.000 0.495 210 V N 4.959 124.767 119.914 -0.178 0.000 2.439 210 V HA 0.237 4.358 4.120 0.001 0.000 0.271 210 V C 0.101 176.191 176.094 -0.007 0.000 1.040 210 V CA -0.627 61.621 62.300 -0.087 0.000 1.002 210 V CB -0.243 31.537 31.823 -0.070 0.000 1.000 210 V HN 0.588 nan 8.190 nan 0.000 0.477 211 D N 3.268 123.656 120.400 -0.020 0.000 2.358 211 D HA -0.000 4.641 4.640 0.001 0.000 0.244 211 D C 0.949 177.238 176.300 -0.017 0.000 1.163 211 D CA -0.459 53.459 54.000 -0.137 0.000 0.945 211 D CB 0.546 41.270 40.800 -0.127 0.000 1.152 211 D HN 0.415 nan 8.370 nan 0.000 0.451 212 Y N 0.472 120.693 120.300 -0.131 0.000 2.151 212 Y HA -0.297 4.254 4.550 0.001 0.000 0.284 212 Y C 2.374 178.282 175.900 0.013 0.000 1.166 212 Y CA 2.251 60.336 58.100 -0.024 0.000 1.163 212 Y CB -0.126 38.368 38.460 0.056 0.000 0.974 212 Y HN 0.381 nan 8.280 nan 0.000 0.511 213 R N -0.264 120.298 120.500 0.104 0.000 2.127 213 R HA -0.170 4.171 4.340 0.001 0.000 0.238 213 R C 1.366 177.581 176.300 -0.142 0.000 1.134 213 R CA 2.221 58.327 56.100 0.009 0.000 0.975 213 R CB -0.828 29.513 30.300 0.069 0.000 0.865 213 R HN 0.514 nan 8.270 nan 0.000 0.447 214 H N -1.403 117.613 119.070 -0.089 0.000 2.539 214 H HA 0.193 4.750 4.556 0.001 0.000 0.269 214 H C 1.241 176.489 175.328 -0.133 0.000 0.980 214 H CA 0.493 56.490 56.048 -0.085 0.000 1.152 214 H CB 0.525 30.254 29.762 -0.054 0.000 1.407 214 H HN 0.194 nan 8.280 nan 0.000 0.564 215 Q N -0.052 119.669 119.800 -0.131 0.000 2.226 215 Q HA 0.112 4.453 4.340 0.001 0.000 0.199 215 Q C 0.356 176.191 176.000 -0.275 0.000 0.945 215 Q CA 0.914 56.592 55.803 -0.208 0.000 0.861 215 Q CB 0.944 29.519 28.738 -0.272 0.000 0.953 215 Q HN 0.279 nan 8.270 nan 0.000 0.490 216 T N -2.072 112.242 114.554 -0.401 0.000 2.840 216 T HA 0.243 4.593 4.350 0.001 0.000 0.317 216 T C -0.905 173.667 174.700 -0.214 0.000 1.401 216 T CA -0.560 61.360 62.100 -0.299 0.000 1.028 216 T CB 0.864 69.529 68.868 -0.337 0.000 1.317 216 T HN 0.270 nan 8.240 nan 0.000 0.495 217 H N 1.497 120.461 119.070 -0.177 0.000 2.563 217 H HA 0.421 4.977 4.556 0.001 0.000 0.264 217 H C 1.002 176.312 175.328 -0.030 0.000 0.957 217 H CA 0.924 56.909 56.048 -0.104 0.000 1.173 217 H CB 0.139 29.848 29.762 -0.089 0.000 1.420 217 H HN 0.489 nan 8.280 nan 0.000 0.551 218 S N 1.359 117.037 115.700 -0.036 0.000 2.549 218 S HA 0.064 4.535 4.470 0.001 0.000 0.279 218 S C -1.374 173.280 174.600 0.091 0.000 1.321 218 S CA -0.885 57.317 58.200 0.004 0.000 1.054 218 S CB 1.482 64.726 63.200 0.073 0.000 0.899 218 S HN 0.220 nan 8.310 nan 0.000 0.497 219 P HA -0.078 nan 4.420 nan 0.000 0.216 219 P C 0.782 178.191 177.300 0.182 0.000 1.150 219 P CA 1.587 64.751 63.100 0.107 0.000 0.843 219 P CB -0.328 31.396 31.700 0.040 0.000 0.787 220 T N -5.051 109.621 114.554 0.197 0.000 2.865 220 T HA 0.493 4.843 4.350 0.001 0.000 0.294 220 T C 0.947 175.801 174.700 0.257 0.000 1.119 220 T CA -0.776 61.429 62.100 0.175 0.000 1.007 220 T CB 1.015 69.961 68.868 0.131 0.000 1.225 220 T HN -0.207 nan 8.240 nan 0.000 0.515 221 I N 0.770 121.475 120.570 0.224 0.000 2.584 221 I HA 0.100 4.271 4.170 0.001 0.000 0.255 221 I C 2.922 179.202 176.117 0.272 0.000 1.145 221 I CA 0.894 62.342 61.300 0.246 0.000 1.462 221 I CB -0.510 37.621 38.000 0.219 0.000 1.102 221 I HN 0.886 nan 8.210 nan 0.000 0.433 222 A N 0.716 123.669 122.820 0.221 0.000 1.940 222 A HA -0.252 4.068 4.320 0.001 0.000 0.219 222 A C 1.887 179.668 177.584 0.327 0.000 1.176 222 A CA 1.994 54.150 52.037 0.198 0.000 0.631 222 A CB -0.560 18.500 19.000 0.101 0.000 0.814 222 A HN 0.340 nan 8.150 nan 0.000 0.446 223 D N -0.126 120.486 120.400 0.353 0.000 2.221 223 D HA -0.128 4.513 4.640 0.001 0.000 0.204 223 D C 1.706 178.188 176.300 0.303 0.000 0.982 223 D CA 1.179 55.401 54.000 0.370 0.000 0.857 223 D CB -0.257 40.698 40.800 0.259 0.000 0.934 223 D HN 0.540 nan 8.370 nan 0.000 0.475 224 K N 0.680 121.254 120.400 0.289 0.000 2.280 224 K HA -0.028 4.292 4.320 0.001 0.000 0.202 224 K C 2.051 178.763 176.600 0.188 0.000 1.047 224 K CA 0.766 57.206 56.287 0.256 0.000 0.942 224 K CB 0.005 32.765 32.500 0.434 0.000 0.739 224 K HN 0.023 nan 8.250 nan 0.000 0.457 225 A N 1.349 124.355 122.820 0.309 0.000 2.024 225 A HA -0.207 4.114 4.320 0.001 0.000 0.220 225 A C 1.590 179.274 177.584 0.166 0.000 1.164 225 A CA 1.329 53.560 52.037 0.323 0.000 0.643 225 A CB -0.634 18.519 19.000 0.255 0.000 0.806 225 A HN 0.299 nan 8.150 nan 0.000 0.451 226 H N -0.464 118.683 119.070 0.129 0.000 2.457 226 H HA -0.043 4.514 4.556 0.001 0.000 0.297 226 H C 2.346 177.606 175.328 -0.112 0.000 1.092 226 H CA 1.235 57.257 56.048 -0.043 0.000 1.309 226 H CB -0.319 29.331 29.762 -0.186 0.000 1.382 226 H HN 0.546 nan 8.280 nan 0.000 0.535 227 A N 0.115 122.839 122.820 -0.161 0.000 2.168 227 A HA -0.041 4.279 4.320 0.001 0.000 0.215 227 A C 1.201 178.530 177.584 -0.425 0.000 1.152 227 A CA 0.748 52.579 52.037 -0.343 0.000 0.716 227 A CB -0.475 18.234 19.000 -0.485 0.000 0.794 227 A HN 0.211 nan 8.150 nan 0.000 0.465 228 F N -1.861 118.126 119.950 0.062 0.000 2.728 228 F HA 0.394 4.921 4.527 0.001 0.000 0.314 228 F C 1.658 177.462 175.800 0.008 0.000 1.094 228 F CA -0.212 57.773 58.000 -0.026 0.000 1.217 228 F CB -0.152 38.778 39.000 -0.116 0.000 1.056 228 F HN 0.241 nan 8.300 nan 0.000 0.577 229 G N 2.195 111.102 108.800 0.178 0.000 2.176 229 G HA2 -0.286 3.674 3.960 0.001 0.000 0.252 229 G HA3 -0.286 3.674 3.960 0.001 0.000 0.252 229 G C 0.167 175.155 174.900 0.148 0.000 1.024 229 G CA 0.496 45.683 45.100 0.145 0.000 0.755 229 G HN 0.535 nan 8.290 nan 0.000 0.507 230 I N -2.879 117.800 120.570 0.182 0.000 2.910 230 I HA 0.832 5.002 4.170 0.001 0.000 0.310 230 I C -2.206 173.966 176.117 0.092 0.000 1.043 230 I CA -3.290 58.089 61.300 0.131 0.000 1.053 230 I CB 2.171 40.247 38.000 0.127 0.000 1.242 230 I HN -0.092 nan 8.210 nan 0.000 0.452 231 P HA 0.235 nan 4.420 nan 0.000 0.275 231 P C -0.445 176.535 177.300 -0.533 0.000 1.227 231 P CA 0.170 63.094 63.100 -0.293 0.000 0.781 231 P CB 1.071 32.627 31.700 -0.241 0.000 0.906 232 G N 1.965 110.053 108.800 -1.186 0.000 2.513 232 G HA2 0.596 4.557 3.960 0.001 0.000 0.317 232 G HA3 0.596 4.557 3.960 0.001 0.000 0.317 232 G C -1.846 172.328 174.900 -1.210 0.000 1.277 232 G CA -0.407 44.110 45.100 -0.970 0.000 0.955 232 G HN 0.332 nan 8.290 nan 0.000 0.484 233 Y N 0.693 120.818 120.300 -0.291 0.000 2.425 233 Y HA 0.520 5.070 4.550 0.001 0.000 0.344 233 Y C -0.300 175.538 175.900 -0.102 0.000 0.969 233 Y CA -1.017 56.960 58.100 -0.204 0.000 1.052 233 Y CB 2.637 41.001 38.460 -0.160 0.000 1.215 233 Y HN 0.477 nan 8.280 nan 0.000 0.451 234 L N 4.586 125.855 121.223 0.076 0.000 2.280 234 L HA 0.796 5.136 4.340 0.001 0.000 0.287 234 L C -1.214 175.691 176.870 0.058 0.000 1.023 234 L CA -0.523 54.360 54.840 0.071 0.000 0.819 234 L CB 0.740 42.849 42.059 0.084 0.000 1.212 234 L HN 0.467 nan 8.230 nan 0.000 0.420 235 V N 3.085 123.019 119.914 0.033 0.000 2.914 235 V HA 0.378 4.499 4.120 0.001 0.000 0.314 235 V C -0.726 175.386 176.094 0.031 0.000 1.084 235 V CA -0.935 61.364 62.300 -0.001 0.000 0.963 235 V CB 2.008 33.789 31.823 -0.069 0.000 1.025 235 V HN 0.656 nan 8.190 nan 0.000 0.432 236 D N 2.433 122.855 120.400 0.037 0.000 2.383 236 D HA 0.183 4.824 4.640 0.001 0.000 0.245 236 D C 1.260 177.590 176.300 0.051 0.000 1.263 236 D CA 0.369 54.418 54.000 0.081 0.000 0.936 236 D CB 1.250 42.093 40.800 0.071 0.000 1.053 236 D HN 0.728 nan 8.370 nan 0.000 0.507 237 G N 3.439 112.270 108.800 0.052 0.000 2.708 237 G HA2 -0.144 3.817 3.960 0.001 0.000 0.210 237 G HA3 -0.144 3.817 3.960 0.001 0.000 0.210 237 G C 1.127 176.037 174.900 0.016 0.000 1.141 237 G CA 0.146 45.243 45.100 -0.005 0.000 0.788 237 G HN 0.450 nan 8.290 nan 0.000 0.531 238 M N 0.503 120.153 119.600 0.085 0.000 2.428 238 M HA 0.202 4.683 4.480 0.001 0.000 0.239 238 M C -0.121 176.214 176.300 0.059 0.000 1.121 238 M CA -0.092 55.267 55.300 0.098 0.000 1.019 238 M CB 0.222 32.933 32.600 0.186 0.000 1.485 238 M HN 0.000 nan 8.290 nan 0.000 0.484 239 D N 1.427 121.844 120.400 0.027 0.000 2.454 239 D HA 0.120 4.760 4.640 0.001 0.000 0.225 239 D C 0.889 177.154 176.300 -0.059 0.000 1.081 239 D CA -0.124 53.873 54.000 -0.005 0.000 0.864 239 D CB 1.908 42.712 40.800 0.007 0.000 1.040 239 D HN -0.087 nan 8.370 nan 0.000 0.517 240 V N 5.134 124.958 119.914 -0.150 0.000 2.469 240 V HA -0.199 3.922 4.120 0.001 0.000 0.251 240 V C 2.098 178.087 176.094 -0.174 0.000 1.064 240 V CA 1.576 63.738 62.300 -0.231 0.000 1.066 240 V CB -0.180 31.350 31.823 -0.488 0.000 0.667 240 V HN 0.601 nan 8.190 nan 0.000 0.461 241 L N -0.305 120.827 121.223 -0.150 0.000 2.072 241 L HA -0.006 4.335 4.340 0.001 0.000 0.205 241 L C 2.773 179.812 176.870 0.282 0.000 1.079 241 L CA 1.382 56.282 54.840 0.101 0.000 0.752 241 L CB -0.895 41.274 42.059 0.183 0.000 0.906 241 L HN 0.399 nan 8.230 nan 0.000 0.436 242 A N -0.283 122.610 122.820 0.121 0.000 1.902 242 A HA -0.172 4.149 4.320 0.001 0.000 0.217 242 A C 2.517 180.082 177.584 -0.031 0.000 1.181 242 A CA 2.024 54.093 52.037 0.053 0.000 0.623 242 A CB -0.551 18.437 19.000 -0.021 0.000 0.818 242 A HN 0.361 nan 8.150 nan 0.000 0.443 243 S N -1.535 114.152 115.700 -0.022 0.000 2.356 243 S HA -0.163 4.308 4.470 0.001 0.000 0.223 243 S C 1.849 176.428 174.600 -0.036 0.000 1.032 243 S CA 1.492 59.660 58.200 -0.053 0.000 1.005 243 S CB -0.612 62.566 63.200 -0.038 0.000 0.867 243 S HN 0.702 nan 8.310 nan 0.000 0.449 244 Y N 1.289 121.525 120.300 -0.107 0.000 2.070 244 Y HA -0.257 4.294 4.550 0.001 0.000 0.280 244 Y C 2.087 177.907 175.900 -0.134 0.000 1.148 244 Y CA 1.518 59.529 58.100 -0.149 0.000 1.125 244 Y CB -0.795 37.513 38.460 -0.253 0.000 0.975 244 Y HN 0.198 nan 8.280 nan 0.000 0.492 245 Y N -0.631 119.663 120.300 -0.010 0.000 2.181 245 Y HA -0.219 4.332 4.550 0.001 0.000 0.288 245 Y C 2.604 178.411 175.900 -0.156 0.000 1.146 245 Y CA 1.786 59.871 58.100 -0.024 0.000 1.164 245 Y CB -0.886 37.843 38.460 0.449 0.000 0.982 245 Y HN 0.021 nan 8.280 nan 0.000 0.515 246 V N -1.331 118.398 119.914 -0.307 0.000 2.358 246 V HA -0.239 3.882 4.120 0.001 0.000 0.246 246 V C 2.203 178.074 176.094 -0.371 0.000 1.047 246 V CA 1.525 63.464 62.300 -0.603 0.000 1.035 246 V CB -0.850 30.514 31.823 -0.765 0.000 0.658 246 V HN 0.210 nan 8.190 nan 0.000 0.452 247 V N 0.198 119.945 119.914 -0.280 0.000 2.358 247 V HA -0.264 3.856 4.120 0.001 0.000 0.246 247 V C 2.455 178.421 176.094 -0.213 0.000 1.047 247 V CA 2.286 64.458 62.300 -0.214 0.000 1.035 247 V CB -0.687 31.040 31.823 -0.159 0.000 0.658 247 V HN 0.550 nan 8.190 nan 0.000 0.452 248 K N 0.851 121.067 120.400 -0.305 0.000 2.063 248 K HA -0.248 4.073 4.320 0.001 0.000 0.208 248 K C 2.151 178.664 176.600 -0.145 0.000 1.048 248 K CA 2.144 58.249 56.287 -0.302 0.000 0.928 248 K CB -0.350 31.798 32.500 -0.586 0.000 0.713 248 K HN 0.565 nan 8.250 nan 0.000 0.442 249 E N -0.586 119.560 120.200 -0.090 0.000 2.077 249 E HA -0.193 4.157 4.350 0.001 0.000 0.193 249 E C 1.761 178.329 176.600 -0.053 0.000 0.989 249 E CA 1.128 57.515 56.400 -0.022 0.000 0.800 249 E CB -0.229 29.519 29.700 0.080 0.000 0.746 249 E HN 0.428 nan 8.360 nan 0.000 0.452 250 A N 0.464 123.218 122.820 -0.110 0.000 1.933 250 A HA -0.120 4.201 4.320 0.001 0.000 0.218 250 A C 2.381 179.936 177.584 -0.048 0.000 1.175 250 A CA 1.329 53.329 52.037 -0.063 0.000 0.628 250 A CB -0.558 18.397 19.000 -0.075 0.000 0.814 250 A HN 0.233 nan 8.150 nan 0.000 0.444 251 V N 0.251 120.125 119.914 -0.068 0.000 2.307 251 V HA -0.264 3.856 4.120 0.001 0.000 0.245 251 V C 2.392 178.472 176.094 -0.024 0.000 1.045 251 V CA 2.292 64.562 62.300 -0.050 0.000 1.024 251 V CB -0.826 30.967 31.823 -0.051 0.000 0.651 251 V HN 0.662 nan 8.190 nan 0.000 0.449 252 E N -0.079 120.109 120.200 -0.020 0.000 2.106 252 E HA -0.246 4.105 4.350 0.001 0.000 0.192 252 E C 2.375 178.977 176.600 0.004 0.000 0.984 252 E CA 1.147 57.547 56.400 0.001 0.000 0.806 252 E CB -0.234 29.468 29.700 0.003 0.000 0.750 252 E HN 0.494 nan 8.360 nan 0.000 0.458 253 R N 1.133 121.634 120.500 0.002 0.000 2.073 253 R HA -0.142 4.198 4.340 0.001 0.000 0.234 253 R C 2.271 178.570 176.300 -0.001 0.000 1.134 253 R CA 1.436 57.542 56.100 0.011 0.000 0.952 253 R CB -0.229 30.089 30.300 0.030 0.000 0.850 253 R HN 0.148 nan 8.270 nan 0.000 0.433 254 A N 1.029 123.840 122.820 -0.016 0.000 1.902 254 A HA -0.144 4.176 4.320 0.001 0.000 0.217 254 A C 2.250 179.816 177.584 -0.030 0.000 1.181 254 A CA 1.343 53.358 52.037 -0.038 0.000 0.623 254 A CB -0.563 18.396 19.000 -0.069 0.000 0.818 254 A HN 0.380 nan 8.150 nan 0.000 0.443 255 R N -0.086 120.408 120.500 -0.011 0.000 2.120 255 R HA -0.136 4.205 4.340 0.001 0.000 0.234 255 R C 2.104 178.412 176.300 0.012 0.000 1.123 255 R CA 1.563 57.670 56.100 0.012 0.000 0.975 255 R CB -0.167 30.157 30.300 0.041 0.000 0.866 255 R HN 0.707 nan 8.270 nan 0.000 0.446 256 R N -0.933 119.572 120.500 0.007 0.000 2.320 256 R HA 0.106 4.447 4.340 0.001 0.000 0.211 256 R C 0.641 176.941 176.300 -0.001 0.000 0.931 256 R CA 0.775 56.880 56.100 0.008 0.000 1.071 256 R CB 0.266 30.573 30.300 0.011 0.000 1.025 256 R HN 0.196 nan 8.270 nan 0.000 0.495 257 G N 1.180 109.973 108.800 -0.011 0.000 2.137 257 G HA2 -0.276 3.684 3.960 0.001 0.000 0.237 257 G HA3 -0.276 3.684 3.960 0.001 0.000 0.237 257 G C 0.170 175.059 174.900 -0.018 0.000 1.002 257 G CA 0.337 45.424 45.100 -0.021 0.000 0.702 257 G HN 0.574 nan 8.290 nan 0.000 0.515 258 E N 0.060 120.254 120.200 -0.010 0.000 2.465 258 E HA 0.420 4.770 4.350 0.001 0.000 0.191 258 E C 1.501 178.099 176.600 -0.003 0.000 1.053 258 E CA 0.293 56.693 56.400 -0.000 0.000 0.869 258 E CB 0.290 29.998 29.700 0.014 0.000 0.977 258 E HN 1.563 nan 8.360 nan 0.000 0.483 259 G N 2.488 111.275 108.800 -0.023 0.000 2.710 259 G HA2 -0.184 3.777 3.960 0.001 0.000 0.668 259 G HA3 -0.184 3.777 3.960 0.001 0.000 0.668 259 G C -2.806 172.081 174.900 -0.022 0.000 1.320 259 G CA -0.860 44.222 45.100 -0.030 0.000 0.860 259 G HN -0.043 nan 8.290 nan 0.000 0.538 260 P HA 0.551 nan 4.420 nan 0.000 0.275 260 P C -0.320 177.023 177.300 0.071 0.000 1.266 260 P CA -0.088 63.020 63.100 0.013 0.000 0.793 260 P CB 1.383 33.136 31.700 0.089 0.000 1.074 261 S N -0.692 115.074 115.700 0.110 0.000 2.588 261 S HA 0.527 4.997 4.470 0.001 0.000 0.275 261 S C -1.138 173.597 174.600 0.225 0.000 1.130 261 S CA -0.451 57.848 58.200 0.164 0.000 0.855 261 S CB 1.198 64.531 63.200 0.220 0.000 1.116 261 S HN 0.424 nan 8.310 nan 0.000 0.472 262 L N 2.607 123.962 121.223 0.221 0.000 2.319 262 L HA 0.713 5.054 4.340 0.001 0.000 0.281 262 L C -1.512 175.503 176.870 0.242 0.000 1.005 262 L CA -0.403 54.608 54.840 0.284 0.000 0.828 262 L CB 1.083 43.331 42.059 0.314 0.000 1.227 262 L HN 0.452 nan 8.230 nan 0.000 0.415 263 V N 4.690 124.734 119.914 0.217 0.000 2.384 263 V HA 0.440 4.561 4.120 0.001 0.000 0.287 263 V C -0.050 176.096 176.094 0.087 0.000 1.020 263 V CA -0.653 61.736 62.300 0.149 0.000 0.850 263 V CB 1.445 33.295 31.823 0.046 0.000 0.987 263 V HN 0.770 nan 8.190 nan 0.000 0.436 264 E N 5.141 125.389 120.200 0.080 0.000 2.109 264 E HA 0.468 4.819 4.350 0.001 0.000 0.278 264 E C -1.273 175.317 176.600 -0.017 0.000 0.954 264 E CA -0.556 55.865 56.400 0.036 0.000 0.779 264 E CB 1.019 30.758 29.700 0.064 0.000 1.093 264 E HN 0.642 nan 8.360 nan 0.000 0.401 265 L N 5.993 127.172 121.223 -0.072 0.000 2.283 265 L HA 0.426 4.766 4.340 0.001 0.000 0.281 265 L C 0.250 177.038 176.870 -0.136 0.000 1.033 265 L CA -0.661 54.127 54.840 -0.087 0.000 0.848 265 L CB 0.895 42.892 42.059 -0.103 0.000 1.226 265 L HN 0.371 nan 8.230 nan 0.000 0.429 266 R N 3.439 123.897 120.500 -0.071 0.000 2.296 266 R HA 0.368 4.708 4.340 0.001 0.000 0.323 266 R C -0.097 176.164 176.300 -0.065 0.000 1.067 266 R CA -0.180 55.861 56.100 -0.099 0.000 0.946 266 R CB 0.871 31.285 30.300 0.189 0.000 0.991 266 R HN 0.526 nan 8.270 nan 0.000 0.448 267 V N 0.646 120.373 119.914 -0.311 0.000 3.119 267 V HA 0.635 4.755 4.120 0.001 0.000 0.309 267 V C -1.367 174.502 176.094 -0.376 0.000 1.304 267 V CA -1.025 61.108 62.300 -0.278 0.000 1.057 267 V CB 1.830 33.336 31.823 -0.529 0.000 1.150 267 V HN 0.626 nan 8.190 nan 0.000 0.474 268 Y N 0.006 120.018 120.300 -0.479 0.000 2.470 268 Y HA 0.623 5.174 4.550 0.001 0.000 0.341 268 Y C -0.138 175.562 175.900 -0.332 0.000 1.021 268 Y CA -0.831 57.005 58.100 -0.441 0.000 1.025 268 Y CB 2.019 40.247 38.460 -0.387 0.000 1.266 268 Y HN 0.832 nan 8.280 nan 0.000 0.448 269 R N 4.818 125.009 120.500 -0.514 0.000 2.296 269 R HA 0.142 4.483 4.340 0.001 0.000 0.327 269 R C -0.322 175.937 176.300 -0.069 0.000 1.137 269 R CA -0.012 55.985 56.100 -0.173 0.000 1.020 269 R CB 0.099 30.354 30.300 -0.076 0.000 1.110 269 R HN 0.838 nan 8.270 nan 0.000 0.499 270 Y N 2.063 122.464 120.300 0.169 0.000 2.224 270 Y HA -0.012 4.538 4.550 0.001 0.000 0.289 270 Y C 1.759 177.725 175.900 0.110 0.000 1.146 270 Y CA 1.128 59.357 58.100 0.215 0.000 1.182 270 Y CB -0.453 38.127 38.460 0.200 0.000 0.983 270 Y HN 0.593 nan 8.280 nan 0.000 0.524 271 G N 0.321 109.248 108.800 0.211 0.000 2.543 271 G HA2 0.368 4.329 3.960 0.001 0.000 0.290 271 G HA3 0.368 4.329 3.960 0.001 0.000 0.290 271 G C -2.399 172.534 174.900 0.055 0.000 1.310 271 G CA -1.193 43.971 45.100 0.108 0.000 1.025 271 G HN -0.082 nan 8.290 nan 0.000 0.502 272 P HA 0.045 nan 4.420 nan 0.000 0.275 272 P C 0.222 177.566 177.300 0.072 0.000 1.266 272 P CA -0.097 63.024 63.100 0.035 0.000 0.793 272 P CB 0.960 32.668 31.700 0.013 0.000 1.074 273 H N 0.078 119.202 119.070 0.089 0.000 2.319 273 H HA -0.094 4.463 4.556 0.001 0.000 0.297 273 H C 0.583 175.939 175.328 0.048 0.000 1.097 273 H CA 2.213 58.326 56.048 0.107 0.000 1.285 273 H CB -0.139 29.715 29.762 0.154 0.000 1.368 273 H HN 0.548 nan 8.280 nan 0.000 0.495 274 S N -2.640 112.985 115.700 -0.125 0.000 2.636 274 S HA 0.227 4.697 4.470 0.001 0.000 0.268 274 S C 1.054 175.554 174.600 -0.165 0.000 1.159 274 S CA -0.285 57.733 58.200 -0.303 0.000 0.815 274 S CB 0.746 63.740 63.200 -0.343 0.000 1.130 274 S HN 0.376 nan 8.310 nan 0.000 0.471 275 S N 0.254 115.779 115.700 -0.291 0.000 2.469 275 S HA 0.023 4.493 4.470 0.001 0.000 0.238 275 S C 1.589 176.184 174.600 -0.008 0.000 0.998 275 S CA 0.792 58.910 58.200 -0.136 0.000 0.957 275 S CB -0.801 62.296 63.200 -0.171 0.000 0.764 275 S HN 1.418 nan 8.310 nan 0.000 0.514 276 A N 0.482 123.345 122.820 0.073 0.000 2.275 276 A HA 0.358 4.679 4.320 0.001 0.000 0.212 276 A C 0.701 178.368 177.584 0.138 0.000 1.201 276 A CA 0.269 52.395 52.037 0.149 0.000 0.843 276 A CB -0.216 18.940 19.000 0.260 0.000 0.873 276 A HN 0.557 nan 8.150 nan 0.000 0.492 277 D N -1.351 119.127 120.400 0.131 0.000 2.592 277 D HA 0.544 5.185 4.640 0.001 0.000 0.259 277 D C -0.681 175.670 176.300 0.085 0.000 1.144 277 D CA 0.632 54.725 54.000 0.155 0.000 1.080 277 D CB 1.517 42.476 40.800 0.266 0.000 1.225 277 D HN 0.050 nan 8.370 nan 0.000 0.619 278 D N -1.343 119.099 120.400 0.070 0.000 2.323 278 D HA 0.477 5.117 4.640 0.001 0.000 0.242 278 D C 0.530 176.698 176.300 -0.219 0.000 1.347 278 D CA 0.224 54.202 54.000 -0.037 0.000 0.988 278 D CB 0.068 40.851 40.800 -0.028 0.000 1.314 278 D HN 0.456 nan 8.370 nan 0.000 0.564 279 D N 0.105 120.360 120.400 -0.241 0.000 2.106 279 D HA -0.008 4.632 4.640 0.001 0.000 0.191 279 D C 2.284 178.210 176.300 -0.623 0.000 0.997 279 D CA 2.252 55.964 54.000 -0.481 0.000 0.834 279 D CB -0.754 39.930 40.800 -0.192 0.000 0.956 279 D HN 1.118 nan 8.370 nan 0.000 0.448 280 S N -0.999 114.517 115.700 -0.306 0.000 2.889 280 S HA 0.354 4.825 4.470 0.001 0.000 0.235 280 S C 1.885 176.348 174.600 -0.228 0.000 0.978 280 S CA 1.491 59.563 58.200 -0.212 0.000 1.010 280 S CB -0.881 62.259 63.200 -0.099 0.000 0.799 280 S HN 0.860 nan 8.310 nan 0.000 0.534 281 R N -0.071 120.183 120.500 -0.410 0.000 2.472 281 R HA 0.494 4.834 4.340 0.001 0.000 0.279 281 R C 0.598 176.836 176.300 -0.103 0.000 0.953 281 R CA 0.676 56.645 56.100 -0.220 0.000 1.088 281 R CB -0.887 29.345 30.300 -0.112 0.000 1.197 281 R HN 1.202 nan 8.270 nan 0.000 0.536 282 Y N -4.089 116.213 120.300 0.004 0.000 3.147 282 Y HA 0.443 4.994 4.550 0.001 0.000 0.322 282 Y C -0.218 175.701 175.900 0.032 0.000 0.956 282 Y CA -1.322 56.790 58.100 0.019 0.000 1.205 282 Y CB -0.440 38.029 38.460 0.016 0.000 1.401 282 Y HN 0.048 nan 8.280 nan 0.000 0.565 283 R N 2.982 123.498 120.500 0.026 0.000 2.561 283 R HA 0.523 4.864 4.340 0.001 0.000 0.297 283 R C -2.882 173.481 176.300 0.105 0.000 0.969 283 R CA -1.742 54.426 56.100 0.112 0.000 0.879 283 R CB 1.889 32.189 30.300 -0.000 0.000 1.178 283 R HN -0.028 nan 8.270 nan 0.000 0.445 284 P HA 0.077 nan 4.420 nan 0.000 0.271 284 P C -0.380 177.001 177.300 0.134 0.000 1.226 284 P CA -0.164 63.013 63.100 0.129 0.000 0.765 284 P CB 0.931 32.713 31.700 0.136 0.000 0.835 285 K N 2.096 122.554 120.400 0.096 0.000 2.362 285 K HA -0.180 4.140 4.320 0.001 0.000 0.202 285 K C 1.489 178.158 176.600 0.114 0.000 1.045 285 K CA 1.428 57.773 56.287 0.097 0.000 0.936 285 K CB 0.056 32.593 32.500 0.062 0.000 0.747 285 K HN 0.562 nan 8.250 nan 0.000 0.467 286 E N 0.655 120.922 120.200 0.112 0.000 2.107 286 E HA -0.177 4.174 4.350 0.001 0.000 0.191 286 E C 1.992 178.686 176.600 0.157 0.000 0.982 286 E CA 0.751 57.217 56.400 0.111 0.000 0.809 286 E CB 0.111 29.859 29.700 0.081 0.000 0.756 286 E HN 0.338 nan 8.360 nan 0.000 0.459 287 E N 0.717 121.032 120.200 0.192 0.000 2.072 287 E HA -0.132 4.219 4.350 0.001 0.000 0.190 287 E C 2.109 178.900 176.600 0.317 0.000 0.982 287 E CA 0.751 57.312 56.400 0.267 0.000 0.803 287 E CB 0.285 30.183 29.700 0.330 0.000 0.755 287 E HN 0.033 nan 8.360 nan 0.000 0.453 288 V N 1.430 121.522 119.914 0.296 0.000 2.343 288 V HA -0.259 3.862 4.120 0.001 0.000 0.247 288 V C 2.477 178.703 176.094 0.220 0.000 1.051 288 V CA 1.795 64.283 62.300 0.314 0.000 1.036 288 V CB -0.783 31.230 31.823 0.317 0.000 0.654 288 V HN 0.401 nan 8.190 nan 0.000 0.451 289 A N -0.250 122.671 122.820 0.168 0.000 1.873 289 A HA -0.223 4.097 4.320 0.001 0.000 0.215 289 A C 2.120 179.756 177.584 0.087 0.000 1.186 289 A CA 1.921 54.017 52.037 0.099 0.000 0.616 289 A CB -0.733 18.316 19.000 0.082 0.000 0.823 289 A HN 0.533 nan 8.150 nan 0.000 0.442 290 F N -0.788 119.147 119.950 -0.026 0.000 2.091 290 F HA -0.226 4.301 4.527 0.001 0.000 0.299 290 F C 1.875 177.548 175.800 -0.212 0.000 1.103 290 F CA 1.980 59.897 58.000 -0.139 0.000 1.228 290 F CB -0.405 38.480 39.000 -0.192 0.000 0.984 290 F HN 0.369 nan 8.300 nan 0.000 0.477 291 W N 0.320 121.599 121.300 -0.035 0.000 2.595 291 W HA 0.029 4.690 4.660 0.001 0.000 0.257 291 W C 2.368 178.950 176.519 0.104 0.000 1.267 291 W CA 0.269 57.555 57.345 -0.099 0.000 1.300 291 W CB -0.291 28.884 29.460 -0.475 0.000 1.120 291 W HN -0.217 nan 8.180 nan 0.000 0.618 292 R N 0.817 121.424 120.500 0.178 0.000 2.115 292 R HA -0.071 4.270 4.340 0.001 0.000 0.230 292 R C 1.549 177.809 176.300 -0.067 0.000 1.111 292 R CA 1.032 57.088 56.100 -0.073 0.000 0.976 292 R CB -0.440 29.762 30.300 -0.164 0.000 0.870 292 R HN 0.264 nan 8.270 nan 0.000 0.445 293 K N 0.254 120.583 120.400 -0.120 0.000 2.439 293 K HA -0.034 4.287 4.320 0.001 0.000 0.197 293 K C 1.183 177.698 176.600 -0.141 0.000 1.041 293 K CA 0.722 56.915 56.287 -0.158 0.000 0.970 293 K CB 0.171 32.520 32.500 -0.251 0.000 0.773 293 K HN 0.057 nan 8.250 nan 0.000 0.479 294 K N 1.166 121.514 120.400 -0.086 0.000 2.397 294 K HA 0.025 4.345 4.320 0.001 0.000 0.202 294 K C -0.199 176.510 176.600 0.182 0.000 1.022 294 K CA -0.185 56.093 56.287 -0.015 0.000 1.141 294 K CB 0.281 32.720 32.500 -0.101 0.000 0.857 294 K HN 0.057 nan 8.250 nan 0.000 0.514 295 D N 2.979 123.519 120.400 0.234 0.000 2.581 295 D HA -0.066 4.575 4.640 0.001 0.000 0.238 295 D C -1.239 175.185 176.300 0.207 0.000 1.145 295 D CA -1.103 53.083 54.000 0.309 0.000 0.866 295 D CB 1.152 42.064 40.800 0.187 0.000 1.151 295 D HN 0.060 nan 8.370 nan 0.000 0.500 296 P HA -0.119 nan 4.420 nan 0.000 0.222 296 P C 1.866 179.279 177.300 0.188 0.000 1.147 296 P CA 0.702 63.896 63.100 0.157 0.000 0.790 296 P CB 0.418 32.184 31.700 0.110 0.000 0.780 297 I N 0.607 121.287 120.570 0.184 0.000 2.133 297 I HA -0.109 4.062 4.170 0.001 0.000 0.238 297 I C -0.438 175.837 176.117 0.263 0.000 1.074 297 I CA 1.511 62.942 61.300 0.218 0.000 1.342 297 I CB -1.945 36.123 38.000 0.112 0.000 1.053 297 I HN -0.012 nan 8.210 nan 0.000 0.404 298 P HA -0.148 nan 4.420 nan 0.000 0.218 298 P C 1.490 178.820 177.300 0.050 0.000 1.149 298 P CA 1.260 64.393 63.100 0.056 0.000 0.817 298 P CB -0.099 31.615 31.700 0.023 0.000 0.785 299 R N -1.280 119.289 120.500 0.114 0.000 2.075 299 R HA -0.132 4.209 4.340 0.001 0.000 0.232 299 R C 2.008 178.439 176.300 0.218 0.000 1.126 299 R CA 1.312 57.489 56.100 0.129 0.000 0.963 299 R CB -0.816 29.562 30.300 0.130 0.000 0.858 299 R HN 0.068 nan 8.270 nan 0.000 0.435 300 F N 1.566 121.571 119.950 0.091 0.000 2.293 300 F HA 0.040 4.567 4.527 0.001 0.000 0.297 300 F C 2.365 178.186 175.800 0.036 0.000 1.089 300 F CA 1.078 59.146 58.000 0.112 0.000 1.377 300 F CB -0.306 38.797 39.000 0.171 0.000 1.051 300 F HN -0.058 nan 8.300 nan 0.000 0.511 301 R N 0.458 120.892 120.500 -0.110 0.000 2.083 301 R HA -0.173 4.168 4.340 0.001 0.000 0.237 301 R C 2.387 178.378 176.300 -0.515 0.000 1.137 301 R CA 1.840 57.560 56.100 -0.633 0.000 0.951 301 R CB -0.277 29.628 30.300 -0.660 0.000 0.851 301 R HN 0.207 nan 8.270 nan 0.000 0.434 302 R N -0.694 119.649 120.500 -0.262 0.000 2.105 302 R HA -0.170 4.170 4.340 0.001 0.000 0.239 302 R C 2.222 178.469 176.300 -0.088 0.000 1.135 302 R CA 1.654 57.656 56.100 -0.162 0.000 0.967 302 R CB -0.469 29.793 30.300 -0.062 0.000 0.861 302 R HN 0.279 nan 8.270 nan 0.000 0.442 303 F N 1.417 121.261 119.950 -0.176 0.000 2.146 303 F HA -0.117 4.411 4.527 0.001 0.000 0.298 303 F C 1.903 177.561 175.800 -0.236 0.000 1.096 303 F CA 1.316 59.239 58.000 -0.127 0.000 1.275 303 F CB -0.034 38.970 39.000 0.007 0.000 1.008 303 F HN -0.110 nan 8.300 nan 0.000 0.480 304 L N -0.119 120.964 121.223 -0.235 0.000 2.072 304 L HA -0.166 4.175 4.340 0.001 0.000 0.205 304 L C 2.444 179.214 176.870 -0.167 0.000 1.079 304 L CA 1.704 56.379 54.840 -0.274 0.000 0.752 304 L CB -0.855 40.967 42.059 -0.395 0.000 0.906 304 L HN 0.200 nan 8.230 nan 0.000 0.436 305 E N 0.791 120.916 120.200 -0.125 0.000 2.085 305 E HA -0.239 4.111 4.350 0.001 0.000 0.194 305 E C 2.073 178.634 176.600 -0.065 0.000 0.994 305 E CA 1.233 57.639 56.400 0.009 0.000 0.801 305 E CB -0.004 29.692 29.700 -0.007 0.000 0.743 305 E HN 0.439 nan 8.360 nan 0.000 0.453 306 A N 0.428 123.160 122.820 -0.147 0.000 2.216 306 A HA -0.045 4.275 4.320 0.001 0.000 0.214 306 A C 1.603 179.067 177.584 -0.201 0.000 1.160 306 A CA 0.660 52.597 52.037 -0.166 0.000 0.725 306 A CB -0.124 18.752 19.000 -0.205 0.000 0.784 306 A HN 0.148 nan 8.150 nan 0.000 0.472 307 R N -1.717 118.652 120.500 -0.218 0.000 2.596 307 R HA 0.273 4.614 4.340 0.001 0.000 0.369 307 R C 0.923 177.132 176.300 -0.151 0.000 1.042 307 R CA 0.351 56.325 56.100 -0.208 0.000 1.120 307 R CB 0.305 30.438 30.300 -0.278 0.000 1.353 307 R HN 0.515 nan 8.270 nan 0.000 0.564 308 G N 1.318 110.049 108.800 -0.114 0.000 2.225 308 G HA2 -0.249 3.711 3.960 0.001 0.000 0.267 308 G HA3 -0.249 3.711 3.960 0.001 0.000 0.267 308 G C 0.278 175.095 174.900 -0.139 0.000 1.024 308 G CA 0.071 45.109 45.100 -0.102 0.000 0.784 308 G HN 0.192 nan 8.290 nan 0.000 0.507 309 L N -1.805 119.332 121.223 -0.144 0.000 2.769 309 L HA 0.579 4.919 4.340 0.001 0.000 0.240 309 L C 0.289 177.026 176.870 -0.222 0.000 1.163 309 L CA -0.385 54.321 54.840 -0.224 0.000 0.962 309 L CB -0.206 41.727 42.059 -0.211 0.000 1.258 309 L HN 0.480 nan 8.230 nan 0.000 0.513 310 W N 0.472 121.608 121.300 -0.273 0.000 3.372 310 W HA 0.465 5.126 4.660 0.001 0.000 0.315 310 W C -1.229 175.267 176.519 -0.038 0.000 1.223 310 W CA -0.803 56.460 57.345 -0.136 0.000 1.202 310 W CB 1.257 30.623 29.460 -0.156 0.000 1.367 310 W HN 0.156 nan 8.180 nan 0.000 0.531 311 N N 2.095 120.103 118.700 -1.153 0.000 2.710 311 N HA 0.230 4.971 4.740 0.001 0.000 0.257 311 N C 0.052 174.659 175.510 -1.506 0.000 1.327 311 N CA -0.631 51.740 53.050 -1.132 0.000 0.861 311 N CB 1.433 39.661 38.487 -0.432 0.000 1.532 311 N HN 0.317 nan 8.380 nan 0.000 0.499 312 E N 0.507 120.122 120.200 -0.975 0.000 2.097 312 E HA -0.260 4.090 4.350 0.001 0.000 0.196 312 E C 0.971 177.415 176.600 -0.260 0.000 1.000 312 E CA 1.438 57.564 56.400 -0.457 0.000 0.804 312 E CB -0.062 29.564 29.700 -0.123 0.000 0.740 312 E HN 0.853 nan 8.360 nan 0.000 0.454 313 E N -0.617 119.457 120.200 -0.210 0.000 2.058 313 E HA -0.208 4.143 4.350 0.001 0.000 0.194 313 E C 1.951 178.521 176.600 -0.050 0.000 0.997 313 E CA 1.369 57.711 56.400 -0.097 0.000 0.801 313 E CB -0.302 29.358 29.700 -0.068 0.000 0.746 313 E HN 0.272 nan 8.360 nan 0.000 0.450 314 W N 1.975 123.110 121.300 -0.276 0.000 2.355 314 W HA -0.202 4.458 4.660 0.001 0.000 0.309 314 W C 2.178 178.629 176.519 -0.114 0.000 1.206 314 W CA 2.037 59.263 57.345 -0.199 0.000 1.284 314 W CB -0.542 28.763 29.460 -0.258 0.000 1.145 314 W HN 0.172 nan 8.180 nan 0.000 0.502 315 E N 0.588 120.669 120.200 -0.199 0.000 2.048 315 E HA -0.300 4.050 4.350 0.001 0.000 0.202 315 E C 1.933 178.465 176.600 -0.113 0.000 1.021 315 E CA 2.736 59.088 56.400 -0.079 0.000 0.825 315 E CB -0.614 29.223 29.700 0.228 0.000 0.756 315 E HN 0.492 nan 8.360 nan 0.000 0.454 316 E N -0.128 120.029 120.200 -0.072 0.000 2.110 316 E HA -0.192 4.158 4.350 0.001 0.000 0.193 316 E C 1.913 178.458 176.600 -0.091 0.000 0.988 316 E CA 1.211 57.578 56.400 -0.055 0.000 0.804 316 E CB -0.178 29.503 29.700 -0.031 0.000 0.745 316 E HN 0.358 nan 8.360 nan 0.000 0.458 317 D N 0.311 120.641 120.400 -0.118 0.000 2.117 317 D HA -0.130 4.510 4.640 0.001 0.000 0.197 317 D C 2.012 178.213 176.300 -0.166 0.000 0.987 317 D CA 0.786 54.721 54.000 -0.109 0.000 0.829 317 D CB -0.136 40.627 40.800 -0.062 0.000 0.961 317 D HN -0.013 nan 8.370 nan 0.000 0.460 318 V N 0.487 120.210 119.914 -0.319 0.000 2.358 318 V HA -0.192 3.928 4.120 0.001 0.000 0.246 318 V C 2.391 178.371 176.094 -0.190 0.000 1.047 318 V CA 1.509 63.612 62.300 -0.328 0.000 1.035 318 V CB -0.332 31.135 31.823 -0.592 0.000 0.658 318 V HN 0.137 nan 8.190 nan 0.000 0.452 319 R N -0.101 120.305 120.500 -0.156 0.000 2.081 319 R HA -0.201 4.140 4.340 0.001 0.000 0.235 319 R C 2.375 178.633 176.300 -0.070 0.000 1.131 319 R CA 1.651 57.693 56.100 -0.095 0.000 0.960 319 R CB -0.275 29.989 30.300 -0.060 0.000 0.856 319 R HN 0.477 nan 8.270 nan 0.000 0.436 320 E N 1.231 121.393 120.200 -0.065 0.000 2.106 320 E HA -0.171 4.179 4.350 0.001 0.000 0.192 320 E C 1.419 177.994 176.600 -0.043 0.000 0.984 320 E CA 1.488 57.861 56.400 -0.045 0.000 0.806 320 E CB 0.093 29.770 29.700 -0.037 0.000 0.750 320 E HN 0.341 nan 8.360 nan 0.000 0.458 321 E N -0.147 120.021 120.200 -0.053 0.000 2.106 321 E HA -0.118 4.233 4.350 0.001 0.000 0.192 321 E C 2.205 178.781 176.600 -0.040 0.000 0.984 321 E CA 1.174 57.549 56.400 -0.041 0.000 0.806 321 E CB -0.134 29.541 29.700 -0.043 0.000 0.750 321 E HN 0.359 nan 8.360 nan 0.000 0.458 322 I N 1.563 122.100 120.570 -0.054 0.000 2.202 322 I HA -0.267 3.904 4.170 0.001 0.000 0.242 322 I C 2.664 178.758 176.117 -0.039 0.000 1.091 322 I CA 1.222 62.492 61.300 -0.050 0.000 1.368 322 I CB -0.314 37.646 38.000 -0.067 0.000 1.058 322 I HN 0.089 nan 8.210 nan 0.000 0.410 323 R N 1.716 122.193 120.500 -0.037 0.000 2.152 323 R HA -0.056 4.284 4.340 0.001 0.000 0.232 323 R C 2.190 178.477 176.300 -0.021 0.000 1.117 323 R CA 1.306 57.390 56.100 -0.027 0.000 0.981 323 R CB -0.670 29.615 30.300 -0.024 0.000 0.870 323 R HN 0.267 nan 8.270 nan 0.000 0.451 324 A N 1.798 124.604 122.820 -0.022 0.000 1.929 324 A HA -0.116 4.204 4.320 0.001 0.000 0.216 324 A C 1.903 179.478 177.584 -0.015 0.000 1.176 324 A CA 1.258 53.285 52.037 -0.017 0.000 0.628 324 A CB -0.249 18.741 19.000 -0.016 0.000 0.816 324 A HN 0.493 nan 8.150 nan 0.000 0.444 325 E N 0.016 120.205 120.200 -0.018 0.000 2.077 325 E HA -0.136 4.215 4.350 0.001 0.000 0.193 325 E C 1.917 178.508 176.600 -0.015 0.000 0.989 325 E CA 1.089 57.479 56.400 -0.017 0.000 0.800 325 E CB -0.300 29.388 29.700 -0.020 0.000 0.746 325 E HN 0.607 nan 8.360 nan 0.000 0.452 326 L N 1.148 122.362 121.223 -0.016 0.000 2.017 326 L HA -0.192 4.149 4.340 0.001 0.000 0.208 326 L C 2.521 179.388 176.870 -0.005 0.000 1.073 326 L CA 0.953 55.787 54.840 -0.010 0.000 0.745 326 L CB -0.351 41.701 42.059 -0.011 0.000 0.894 326 L HN 0.086 nan 8.230 nan 0.000 0.432 327 E N 0.003 120.198 120.200 -0.008 0.000 2.058 327 E HA -0.255 4.096 4.350 0.001 0.000 0.194 327 E C 2.231 178.826 176.600 -0.008 0.000 0.997 327 E CA 1.118 57.514 56.400 -0.008 0.000 0.801 327 E CB -0.238 29.457 29.700 -0.009 0.000 0.746 327 E HN 0.217 nan 8.360 nan 0.000 0.450 328 R N 0.782 121.277 120.500 -0.008 0.000 2.096 328 R HA -0.058 4.282 4.340 0.001 0.000 0.235 328 R C 2.250 178.546 176.300 -0.007 0.000 1.127 328 R CA 1.772 57.868 56.100 -0.008 0.000 0.968 328 R CB -1.105 29.190 30.300 -0.008 0.000 0.861 328 R HN 0.214 nan 8.270 nan 0.000 0.440 329 G N 0.520 109.316 108.800 -0.007 0.000 2.418 329 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 329 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 329 G C 1.301 176.199 174.900 -0.004 0.000 1.158 329 G CA 0.797 45.894 45.100 -0.005 0.000 0.771 329 G HN 0.360 nan 8.290 nan 0.000 0.545 330 L N 0.794 122.016 121.223 -0.003 0.000 2.056 330 L HA 0.106 4.447 4.340 0.001 0.000 0.207 330 L C 2.645 179.509 176.870 -0.011 0.000 1.078 330 L CA 2.375 57.211 54.840 -0.007 0.000 0.749 330 L CB -0.524 41.531 42.059 -0.006 0.000 0.901 330 L HN 0.265 nan 8.230 nan 0.000 0.433 331 K N -0.379 120.015 120.400 -0.010 0.000 2.032 331 K HA -0.229 4.092 4.320 0.001 0.000 0.209 331 K C 1.922 178.516 176.600 -0.011 0.000 1.048 331 K CA 2.029 58.309 56.287 -0.011 0.000 0.927 331 K CB -0.170 32.325 32.500 -0.010 0.000 0.712 331 K HN 0.497 nan 8.250 nan 0.000 0.441 332 E N 0.037 120.231 120.200 -0.009 0.000 2.051 332 E HA -0.201 4.149 4.350 0.001 0.000 0.192 332 E C 2.034 178.629 176.600 -0.008 0.000 0.991 332 E CA 1.124 57.520 56.400 -0.007 0.000 0.799 332 E CB -0.176 29.520 29.700 -0.005 0.000 0.748 332 E HN 0.454 nan 8.360 nan 0.000 0.449 333 A N 1.650 124.464 122.820 -0.009 0.000 1.883 333 A HA -0.265 4.055 4.320 0.001 0.000 0.217 333 A C 1.973 179.546 177.584 -0.017 0.000 1.186 333 A CA 1.675 53.706 52.037 -0.011 0.000 0.624 333 A CB -0.464 18.528 19.000 -0.013 0.000 0.822 333 A HN 0.190 nan 8.150 nan 0.000 0.444 334 E N -0.035 120.152 120.200 -0.021 0.000 2.047 334 E HA -0.214 4.136 4.350 0.001 0.000 0.191 334 E C 1.934 178.519 176.600 -0.026 0.000 0.987 334 E CA 1.296 57.681 56.400 -0.026 0.000 0.799 334 E CB -0.318 29.367 29.700 -0.025 0.000 0.752 334 E HN 0.951 nan 8.360 nan 0.000 0.449 335 E N 1.147 121.335 120.200 -0.020 0.000 2.409 335 E HA -0.069 4.281 4.350 0.001 0.000 0.198 335 E C 1.916 178.503 176.600 -0.021 0.000 1.024 335 E CA 0.704 57.092 56.400 -0.020 0.000 0.861 335 E CB -0.102 29.589 29.700 -0.015 0.000 0.788 335 E HN 0.170 nan 8.360 nan 0.000 0.521 336 A N 1.888 124.697 122.820 -0.020 0.000 1.972 336 A HA 0.158 4.479 4.320 0.001 0.000 0.219 336 A C 1.425 178.986 177.584 -0.038 0.000 1.169 336 A CA 1.229 53.255 52.037 -0.018 0.000 0.635 336 A CB -0.918 18.077 19.000 -0.007 0.000 0.810 336 A HN 0.600 nan 8.150 nan 0.000 0.446 337 G N -2.307 106.463 108.800 -0.050 0.000 2.690 337 G HA2 0.056 4.016 3.960 0.001 0.000 0.686 337 G HA3 0.056 4.016 3.960 0.001 0.000 0.686 337 G C -3.181 171.658 174.900 -0.103 0.000 1.277 337 G CA -0.513 44.543 45.100 -0.073 0.000 0.799 337 G HN 0.274 nan 8.290 nan 0.000 0.613 338 P HA 0.399 nan 4.420 nan 0.000 0.269 338 P C 0.637 177.787 177.300 -0.250 0.000 1.215 338 P CA -0.120 62.891 63.100 -0.147 0.000 0.780 338 P CB 0.858 32.482 31.700 -0.127 0.000 0.898 339 V N 0.142 119.894 119.914 -0.270 0.000 2.583 339 V HA 0.386 4.507 4.120 0.001 0.000 0.287 339 V C -2.335 173.445 176.094 -0.524 0.000 1.051 339 V CA -2.168 59.833 62.300 -0.499 0.000 1.010 339 V CB -0.180 31.501 31.823 -0.237 0.000 0.988 339 V HN 0.409 nan 8.190 nan 0.000 0.478 340 P HA 0.240 nan 4.420 nan 0.000 0.267 340 P C -2.184 174.950 177.300 -0.276 0.000 1.200 340 P CA -1.056 61.713 63.100 -0.551 0.000 0.772 340 P CB 0.039 31.304 31.700 -0.726 0.000 0.855 341 P HA -0.163 nan 4.420 nan 0.000 0.217 341 P C 0.942 178.282 177.300 0.067 0.000 1.150 341 P CA 1.371 64.454 63.100 -0.028 0.000 0.832 341 P CB 0.029 31.727 31.700 -0.003 0.000 0.787 342 E N -1.532 118.750 120.200 0.136 0.000 2.160 342 E HA -0.189 4.162 4.350 0.001 0.000 0.195 342 E C 1.473 178.308 176.600 0.392 0.000 0.991 342 E CA 0.892 57.475 56.400 0.305 0.000 0.810 342 E CB -1.153 28.711 29.700 0.272 0.000 0.742 342 E HN 0.340 nan 8.360 nan 0.000 0.466 343 W N 0.752 122.069 121.300 0.028 0.000 2.424 343 W HA -0.043 4.617 4.660 0.001 0.000 0.264 343 W C 2.039 178.510 176.519 -0.080 0.000 1.229 343 W CA 0.648 57.987 57.345 -0.009 0.000 1.208 343 W CB -0.807 28.637 29.460 -0.026 0.000 1.127 343 W HN 0.202 nan 8.180 nan 0.000 0.588 344 M N -1.294 118.322 119.600 0.028 0.000 2.358 344 M HA -0.193 4.287 4.480 0.001 0.000 0.264 344 M C 0.847 176.875 176.300 -0.452 0.000 1.064 344 M CA 1.743 56.871 55.300 -0.286 0.000 1.093 344 M CB -0.367 31.926 32.600 -0.511 0.000 1.401 344 M HN -0.134 nan 8.290 nan 0.000 0.440 345 F N 0.328 120.301 119.950 0.039 0.000 2.695 345 F HA 0.290 4.818 4.527 0.001 0.000 0.303 345 F C 0.680 176.466 175.800 -0.023 0.000 1.091 345 F CA -0.332 57.666 58.000 -0.003 0.000 1.300 345 F CB 0.050 39.048 39.000 -0.002 0.000 1.071 345 F HN -0.027 nan 8.300 nan 0.000 0.578 346 E N 0.631 120.882 120.200 0.085 0.000 2.319 346 E HA 0.104 4.455 4.350 0.001 0.000 0.268 346 E C 0.234 176.793 176.600 -0.068 0.000 1.050 346 E CA 0.068 56.460 56.400 -0.013 0.000 0.878 346 E CB 0.595 30.214 29.700 -0.135 0.000 1.066 346 E HN 0.136 nan 8.360 nan 0.000 0.406 347 D N 0.318 120.676 120.400 -0.070 0.000 3.079 347 D HA -0.159 4.482 4.640 0.001 0.000 0.214 347 D C 1.146 177.380 176.300 -0.110 0.000 1.145 347 D CA 0.681 54.630 54.000 -0.085 0.000 0.958 347 D CB -1.426 39.302 40.800 -0.120 0.000 1.117 347 D HN 0.192 nan 8.370 nan 0.000 0.416 348 V N -1.027 118.813 119.914 -0.123 0.000 2.379 348 V HA -0.056 4.065 4.120 0.001 0.000 0.245 348 V C 1.068 176.860 176.094 -0.503 0.000 1.044 348 V CA 1.659 63.777 62.300 -0.305 0.000 1.036 348 V CB -0.150 31.513 31.823 -0.267 0.000 0.664 348 V HN 0.110 nan 8.190 nan 0.000 0.453 349 F N -2.531 117.412 119.950 -0.012 0.000 2.664 349 F HA 0.696 5.224 4.527 0.001 0.000 0.329 349 F C 1.038 176.830 175.800 -0.013 0.000 1.090 349 F CA -0.357 57.641 58.000 -0.004 0.000 0.978 349 F CB 1.157 40.157 39.000 -0.000 0.000 1.378 349 F HN -0.163 nan 8.300 nan 0.000 0.495 350 A N -0.550 122.399 122.820 0.214 0.000 1.908 350 A HA -0.028 4.293 4.320 0.001 0.000 0.218 350 A C 0.453 178.086 177.584 0.081 0.000 1.181 350 A CA 1.629 53.727 52.037 0.102 0.000 0.627 350 A CB -0.385 18.665 19.000 0.082 0.000 0.818 350 A HN 0.561 nan 8.150 nan 0.000 0.445 351 E N -0.538 119.723 120.200 0.101 0.000 2.288 351 E HA 0.385 4.735 4.350 0.001 0.000 0.268 351 E C -1.202 175.439 176.600 0.069 0.000 0.885 351 E CA -0.646 55.790 56.400 0.059 0.000 0.767 351 E CB 1.335 31.051 29.700 0.027 0.000 1.220 351 E HN 0.283 nan 8.360 nan 0.000 0.427 352 K N 2.645 123.068 120.400 0.037 0.000 2.383 352 K HA 0.233 4.553 4.320 0.001 0.000 0.286 352 K C -2.152 174.404 176.600 -0.073 0.000 1.051 352 K CA -1.196 55.091 56.287 0.000 0.000 0.974 352 K CB 0.107 32.597 32.500 -0.017 0.000 0.968 352 K HN 0.128 nan 8.250 nan 0.000 0.475 353 P HA -0.012 nan 4.420 nan 0.000 0.275 353 P C 0.786 177.955 177.300 -0.218 0.000 1.266 353 P CA -0.630 62.349 63.100 -0.203 0.000 0.793 353 P CB 0.261 31.779 31.700 -0.303 0.000 1.074 354 W N 1.539 122.821 121.300 -0.031 0.000 2.318 354 W HA -0.252 4.409 4.660 0.001 0.000 0.313 354 W C 1.613 178.127 176.519 -0.008 0.000 1.221 354 W CA 2.004 59.345 57.345 -0.008 0.000 1.266 354 W CB -2.078 27.403 29.460 0.035 0.000 1.150 354 W HN 0.484 nan 8.180 nan 0.000 0.496 355 H N 0.675 119.069 119.070 -1.126 0.000 2.421 355 H HA -0.070 4.486 4.556 0.001 0.000 0.298 355 H C 2.274 177.375 175.328 -0.379 0.000 1.087 355 H CA 1.552 57.012 56.048 -0.980 0.000 1.330 355 H CB -1.081 27.845 29.762 -1.393 0.000 1.388 355 H HN 0.252 nan 8.280 nan 0.000 0.526 356 L N 0.348 121.099 121.223 -0.787 0.000 2.156 356 L HA -0.054 4.287 4.340 0.001 0.000 0.208 356 L C 2.865 179.504 176.870 -0.385 0.000 1.095 356 L CA 0.449 55.023 54.840 -0.443 0.000 0.770 356 L CB -0.258 41.606 42.059 -0.324 0.000 0.914 356 L HN 0.166 nan 8.230 nan 0.000 0.439 357 L N -0.325 120.737 121.223 -0.268 0.000 2.056 357 L HA -0.198 4.143 4.340 0.001 0.000 0.207 357 L C 2.836 179.601 176.870 -0.175 0.000 1.078 357 L CA 1.183 55.913 54.840 -0.184 0.000 0.749 357 L CB -0.507 41.515 42.059 -0.062 0.000 0.901 357 L HN 0.276 nan 8.230 nan 0.000 0.433 358 R N 0.256 120.699 120.500 -0.095 0.000 2.075 358 R HA -0.188 4.153 4.340 0.001 0.000 0.232 358 R C 2.222 178.449 176.300 -0.122 0.000 1.126 358 R CA 1.537 57.617 56.100 -0.033 0.000 0.963 358 R CB -0.121 30.244 30.300 0.110 0.000 0.858 358 R HN 0.411 nan 8.270 nan 0.000 0.435 359 Q N 0.011 119.685 119.800 -0.210 0.000 2.119 359 Q HA -0.191 4.150 4.340 0.001 0.000 0.201 359 Q C 1.959 177.623 176.000 -0.561 0.000 0.972 359 Q CA 1.745 57.401 55.803 -0.246 0.000 0.847 359 Q CB 0.010 28.680 28.738 -0.113 0.000 0.903 359 Q HN 0.508 nan 8.270 nan 0.000 0.433 360 E N 0.414 120.028 120.200 -0.976 0.000 2.106 360 E HA -0.178 4.173 4.350 0.001 0.000 0.192 360 E C 1.827 178.224 176.600 -0.338 0.000 0.984 360 E CA 0.925 56.707 56.400 -1.030 0.000 0.806 360 E CB -0.040 29.164 29.700 -0.826 0.000 0.750 360 E HN 0.329 nan 8.360 nan 0.000 0.458 361 A N 1.025 123.708 122.820 -0.228 0.000 1.930 361 A HA -0.121 4.200 4.320 0.001 0.000 0.217 361 A C 2.110 179.660 177.584 -0.058 0.000 1.175 361 A CA 1.073 53.051 52.037 -0.098 0.000 0.627 361 A CB -0.564 18.398 19.000 -0.064 0.000 0.815 361 A HN 0.389 nan 8.150 nan 0.000 0.443 362 L N -0.686 120.498 121.223 -0.065 0.000 2.017 362 L HA -0.116 4.225 4.340 0.001 0.000 0.208 362 L C 2.255 179.135 176.870 0.018 0.000 1.073 362 L CA 2.036 56.869 54.840 -0.012 0.000 0.745 362 L CB -0.637 41.424 42.059 0.002 0.000 0.894 362 L HN 0.355 nan 8.230 nan 0.000 0.432 363 L N -0.271 120.974 121.223 0.038 0.000 2.042 363 L HA -0.232 4.109 4.340 0.001 0.000 0.210 363 L C 2.453 179.363 176.870 0.067 0.000 1.076 363 L CA 1.841 56.742 54.840 0.101 0.000 0.749 363 L CB -0.696 41.508 42.059 0.242 0.000 0.893 363 L HN 0.255 nan 8.230 nan 0.000 0.432 364 K N -0.359 120.066 120.400 0.042 0.000 2.152 364 K HA -0.206 4.115 4.320 0.001 0.000 0.206 364 K C 1.836 178.449 176.600 0.022 0.000 1.048 364 K CA 1.782 58.088 56.287 0.031 0.000 0.933 364 K CB -0.212 32.297 32.500 0.015 0.000 0.721 364 K HN 0.541 nan 8.250 nan 0.000 0.447 365 E N 0.589 120.800 120.200 0.018 0.000 2.204 365 E HA -0.214 4.136 4.350 0.001 0.000 0.195 365 E C 1.818 178.429 176.600 0.018 0.000 0.990 365 E CA 0.869 57.279 56.400 0.015 0.000 0.821 365 E CB 0.049 29.758 29.700 0.015 0.000 0.750 365 E HN 0.365 nan 8.360 nan 0.000 0.477 366 E N 0.316 120.530 120.200 0.025 0.000 2.400 366 E HA 0.011 4.362 4.350 0.001 0.000 0.195 366 E C 0.569 177.181 176.600 0.020 0.000 1.012 366 E CA -0.113 56.301 56.400 0.023 0.000 0.875 366 E CB 0.382 30.100 29.700 0.031 0.000 0.859 366 E HN 0.112 nan 8.360 nan 0.000 0.498 367 L N 0.000 121.236 121.223 0.022 0.000 2.949 367 L HA 0.000 4.341 4.340 0.001 0.000 0.249 367 L CA 0.000 54.849 54.840 0.016 0.000 0.813 367 L CB 0.000 42.072 42.059 0.022 0.000 0.961 367 L HN 0.000 nan 8.230 nan 0.000 0.502