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 3hdq_1_E DATA FIRST_RESID 26 DATA SEQUENCE ESKGFDYLIV GAGFAGSVLA ERLASSGQRV LIVDRRPHIG GNAYDCYDDA DATA SEQUENCE GVLIHPYGPH IFHTNSKDVF EYLSRFTEWR PYQHRVLASV DGQLLPIPIN DATA SEQUENCE LDTVNRLYGL NLTSFQVEEF FASVAEKVEQ VRTSEDVVVS KVGRDLYNKF DATA SEQUENCE FRGYTRKQWG LDPSELDASV TARVPTRTNR DNRYFADTYQ AMPLHGYTRM DATA SEQUENCE FQNMLSSPNI KVMLNTDYRE IADFIPFQHM IYTGPVDAFF DFCYGKLPYR DATA SEQUENCE SLEFRHETHD TEQLLPTGTV NYPNDYAYTR VSEFKHITGQ RHHQTSVVYE DATA SEQUENCE YPRAEGDPYY PVPRPENAEL YKKYEALADA AQDVTFVGRL ATYRYYNMDQ DATA SEQUENCE VVAQALATFR RLQG 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.596 176.600 -0.007 0.000 1.382 26 E CA 0.000 56.400 56.400 0.001 0.000 0.976 26 E CB 0.000 29.702 29.700 0.004 0.000 0.812 27 S N -0.119 115.573 115.700 -0.013 0.000 2.998 27 S HA 0.676 5.146 4.470 0.000 0.000 0.307 27 S C -0.046 174.535 174.600 -0.031 0.000 1.063 27 S CA -0.549 57.640 58.200 -0.020 0.000 0.895 27 S CB 1.401 64.589 63.200 -0.020 0.000 1.362 27 S HN 0.125 nan 8.310 nan 0.000 0.657 28 K N 0.717 121.098 120.400 -0.032 0.000 2.230 28 K HA 0.582 4.902 4.320 0.000 0.000 0.253 28 K C 1.216 177.778 176.600 -0.063 0.000 1.008 28 K CA 1.618 57.876 56.287 -0.048 0.000 0.910 28 K CB -0.471 32.013 32.500 -0.027 0.000 0.994 28 K HN 1.197 nan 8.250 nan 0.000 0.495 29 G N 0.378 109.093 108.800 -0.141 0.000 2.531 29 G HA2 -0.291 3.669 3.960 0.000 0.000 0.274 29 G HA3 -0.291 3.669 3.960 0.000 0.000 0.274 29 G C -0.534 174.123 174.900 -0.405 0.000 1.159 29 G CA 0.095 45.054 45.100 -0.234 0.000 0.969 29 G HN 0.405 nan 8.290 nan 0.000 0.554 30 F N 0.705 120.728 119.950 0.122 0.000 2.579 30 F HA 0.555 5.082 4.527 0.000 0.000 0.324 30 F C 1.112 176.983 175.800 0.119 0.000 1.058 30 F CA -0.456 57.622 58.000 0.130 0.000 0.944 30 F CB 1.817 40.908 39.000 0.152 0.000 1.245 30 F HN 0.337 nan 8.300 nan 0.000 0.477 31 D N 0.168 120.752 120.400 0.306 0.000 2.162 31 D HA -0.082 4.558 4.640 0.000 0.000 0.203 31 D C -0.497 175.780 176.300 -0.039 0.000 0.967 31 D CA 1.719 55.786 54.000 0.112 0.000 0.840 31 D CB 0.163 41.049 40.800 0.143 0.000 0.972 31 D HN 0.304 nan 8.370 nan 0.000 0.482 32 Y N -0.288 120.176 120.300 0.273 0.000 2.442 32 Y HA 0.362 4.912 4.550 0.000 0.000 0.344 32 Y C -0.586 175.349 175.900 0.058 0.000 0.976 32 Y CA -1.156 57.066 58.100 0.203 0.000 1.040 32 Y CB 2.063 40.607 38.460 0.141 0.000 1.228 32 Y HN -0.264 nan 8.280 nan 0.000 0.451 33 L N 5.326 126.592 121.223 0.072 0.000 2.262 33 L HA 0.601 4.941 4.340 0.000 0.000 0.288 33 L C -1.222 175.533 176.870 -0.192 0.000 1.035 33 L CA -0.259 54.416 54.840 -0.275 0.000 0.820 33 L CB 0.139 41.658 42.059 -0.900 0.000 1.204 33 L HN 0.505 nan 8.230 nan 0.000 0.424 34 I N 6.119 126.587 120.570 -0.170 0.000 2.339 34 I HA 0.297 4.467 4.170 0.000 0.000 0.290 34 I C -0.578 175.416 176.117 -0.205 0.000 0.994 34 I CA -0.883 60.327 61.300 -0.151 0.000 1.191 34 I CB 1.658 39.588 38.000 -0.117 0.000 1.343 34 I HN 0.246 nan 8.210 nan 0.000 0.458 35 V N 5.797 125.568 119.914 -0.238 0.000 2.334 35 V HA 0.714 4.834 4.120 0.000 0.000 0.267 35 V C 0.510 176.424 176.094 -0.301 0.000 1.040 35 V CA -0.285 61.856 62.300 -0.264 0.000 0.866 35 V CB 0.459 32.084 31.823 -0.330 0.000 1.019 35 V HN 1.084 nan 8.190 nan 0.000 0.468 36 G N 4.143 112.798 108.800 -0.242 0.000 3.069 36 G HA2 0.313 4.273 3.960 0.000 0.000 0.686 36 G HA3 0.313 4.273 3.960 0.000 0.000 0.686 36 G C -0.202 174.567 174.900 -0.218 0.000 1.161 36 G CA -0.271 44.681 45.100 -0.245 0.000 0.804 36 G HN 1.392 nan 8.290 nan 0.000 0.608 37 A N 1.484 124.158 122.820 -0.243 0.000 2.713 37 A HA 0.783 5.103 4.320 0.000 0.000 0.296 37 A C 1.415 178.781 177.584 -0.362 0.000 1.255 37 A CA 1.152 53.035 52.037 -0.257 0.000 0.955 37 A CB -0.204 18.639 19.000 -0.261 0.000 1.149 37 A HN 2.146 nan 8.150 nan 0.000 0.538 38 G N -1.067 107.566 108.800 -0.279 0.000 2.489 38 G HA2 0.359 4.319 3.960 0.000 0.000 0.271 38 G HA3 0.359 4.319 3.960 0.000 0.000 0.271 38 G C 0.638 175.511 174.900 -0.047 0.000 1.427 38 G CA -0.362 44.575 45.100 -0.271 0.000 1.057 38 G HN 0.194 nan 8.290 nan 0.000 0.532 39 F N 0.733 120.803 119.950 0.201 0.000 2.095 39 F HA -0.107 4.420 4.527 0.000 0.000 0.298 39 F C 3.106 178.985 175.800 0.132 0.000 1.104 39 F CA 1.904 60.072 58.000 0.280 0.000 1.232 39 F CB -0.311 38.828 39.000 0.231 0.000 0.987 39 F HN 0.350 nan 8.300 nan 0.000 0.475 40 A N 0.327 123.302 122.820 0.259 0.000 1.859 40 A HA -0.183 4.137 4.320 0.000 0.000 0.217 40 A C 2.515 180.134 177.584 0.058 0.000 1.198 40 A CA 2.146 54.264 52.037 0.136 0.000 0.629 40 A CB -1.691 17.362 19.000 0.088 0.000 0.830 40 A HN 0.429 nan 8.150 nan 0.000 0.446 41 G N -1.426 107.372 108.800 -0.003 0.000 2.408 41 G HA2 -0.062 3.898 3.960 0.000 0.000 0.217 41 G HA3 -0.062 3.898 3.960 0.000 0.000 0.217 41 G C 1.779 176.651 174.900 -0.047 0.000 1.150 41 G CA 1.313 46.377 45.100 -0.060 0.000 0.776 41 G HN 0.506 nan 8.290 nan 0.000 0.542 42 S N -0.183 115.517 115.700 -0.000 0.000 2.414 42 S HA -0.016 4.455 4.470 0.000 0.000 0.227 42 S C 2.484 177.073 174.600 -0.019 0.000 1.022 42 S CA 0.699 58.899 58.200 0.001 0.000 0.958 42 S CB 0.011 63.283 63.200 0.119 0.000 0.797 42 S HN 0.174 nan 8.310 nan 0.000 0.493 43 V N 2.236 122.180 119.914 0.049 0.000 2.295 43 V HA -0.162 3.958 4.120 0.000 0.000 0.246 43 V C 2.190 178.243 176.094 -0.068 0.000 1.049 43 V CA 1.584 63.912 62.300 0.047 0.000 1.024 43 V CB -0.656 31.216 31.823 0.081 0.000 0.648 43 V HN 0.397 nan 8.190 nan 0.000 0.447 44 L N -0.097 121.082 121.223 -0.073 0.000 2.046 44 L HA -0.156 4.184 4.340 0.000 0.000 0.208 44 L C 2.720 179.480 176.870 -0.183 0.000 1.077 44 L CA 1.541 56.301 54.840 -0.133 0.000 0.747 44 L CB -0.755 41.254 42.059 -0.084 0.000 0.896 44 L HN 0.356 nan 8.230 nan 0.000 0.432 45 A N -0.493 122.246 122.820 -0.136 0.000 1.892 45 A HA -0.274 4.046 4.320 0.000 0.000 0.218 45 A C 2.337 179.843 177.584 -0.130 0.000 1.188 45 A CA 2.037 53.999 52.037 -0.126 0.000 0.631 45 A CB -0.540 18.399 19.000 -0.102 0.000 0.822 45 A HN 0.438 nan 8.150 nan 0.000 0.447 46 E N -0.235 119.883 120.200 -0.136 0.000 2.072 46 E HA -0.180 4.170 4.350 0.000 0.000 0.191 46 E C 2.225 178.738 176.600 -0.145 0.000 0.985 46 E CA 0.814 57.143 56.400 -0.118 0.000 0.801 46 E CB -0.214 29.400 29.700 -0.143 0.000 0.750 46 E HN 0.441 nan 8.360 nan 0.000 0.452 47 R N 0.257 120.572 120.500 -0.308 0.000 2.062 47 R HA -0.084 4.256 4.340 0.000 0.000 0.231 47 R C 2.464 178.414 176.300 -0.584 0.000 1.136 47 R CA 0.520 56.196 56.100 -0.707 0.000 0.948 47 R CB -0.999 28.397 30.300 -1.507 0.000 0.845 47 R HN 0.228 nan 8.270 nan 0.000 0.430 48 L N 0.851 121.842 121.223 -0.386 0.000 2.013 48 L HA -0.131 4.209 4.340 0.000 0.000 0.212 48 L C 2.492 179.364 176.870 0.003 0.000 1.073 48 L CA 2.071 56.858 54.840 -0.088 0.000 0.753 48 L CB -1.604 40.309 42.059 -0.244 0.000 0.890 48 L HN 0.171 nan 8.230 nan 0.000 0.432 49 A N -0.605 122.196 122.820 -0.031 0.000 1.933 49 A HA -0.183 4.137 4.320 0.000 0.000 0.218 49 A C 2.424 180.031 177.584 0.039 0.000 1.175 49 A CA 1.814 53.868 52.037 0.028 0.000 0.628 49 A CB -0.708 18.300 19.000 0.013 0.000 0.814 49 A HN 0.581 nan 8.150 nan 0.000 0.444 50 S N 0.116 115.822 115.700 0.011 0.000 2.474 50 S HA -0.084 4.386 4.470 0.000 0.000 0.235 50 S C 1.542 176.186 174.600 0.074 0.000 0.997 50 S CA 1.360 59.583 58.200 0.037 0.000 0.949 50 S CB -0.574 62.641 63.200 0.024 0.000 0.766 50 S HN 0.953 nan 8.310 nan 0.000 0.517 51 S N -0.492 115.271 115.700 0.105 0.000 2.575 51 S HA 0.578 5.048 4.470 0.000 0.000 0.237 51 S C 1.289 175.968 174.600 0.131 0.000 0.975 51 S CA 0.224 58.512 58.200 0.148 0.000 0.960 51 S CB -0.182 63.166 63.200 0.247 0.000 0.822 51 S HN 1.355 nan 8.310 nan 0.000 0.472 52 G N 0.767 109.634 108.800 0.111 0.000 2.175 52 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 52 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 52 G C -0.079 174.901 174.900 0.133 0.000 0.982 52 G CA -0.182 44.982 45.100 0.106 0.000 0.641 52 G HN 0.535 nan 8.290 nan 0.000 0.527 53 Q N 0.547 120.449 119.800 0.171 0.000 2.364 53 Q HA 0.356 4.696 4.340 0.000 0.000 0.267 53 Q C 0.655 176.791 176.000 0.226 0.000 0.999 53 Q CA 0.200 56.146 55.803 0.239 0.000 0.886 53 Q CB 0.556 29.499 28.738 0.343 0.000 1.243 53 Q HN 0.541 nan 8.270 nan 0.000 0.415 54 R N 1.004 121.660 120.500 0.259 0.000 2.216 54 R HA 0.383 4.723 4.340 0.000 0.000 0.332 54 R C -0.581 175.980 176.300 0.436 0.000 1.056 54 R CA -0.299 55.979 56.100 0.297 0.000 0.901 54 R CB 0.691 31.127 30.300 0.226 0.000 1.039 54 R HN 0.233 nan 8.270 nan 0.000 0.456 55 V N 5.179 125.298 119.914 0.340 0.000 2.495 55 V HA 0.300 4.420 4.120 0.000 0.000 0.298 55 V C -0.749 175.289 176.094 -0.095 0.000 1.031 55 V CA -0.908 61.496 62.300 0.175 0.000 0.871 55 V CB 1.769 33.637 31.823 0.075 0.000 0.988 55 V HN 0.485 nan 8.190 nan 0.000 0.432 56 L N 6.758 127.705 121.223 -0.461 0.000 2.294 56 L HA 0.652 4.992 4.340 0.000 0.000 0.283 56 L C -0.671 175.974 176.870 -0.376 0.000 1.015 56 L CA 0.136 54.537 54.840 -0.730 0.000 0.831 56 L CB 1.050 42.248 42.059 -1.434 0.000 1.217 56 L HN 0.667 nan 8.230 nan 0.000 0.420 57 I N 5.328 125.743 120.570 -0.259 0.000 2.412 57 I HA 0.640 4.811 4.170 0.000 0.000 0.296 57 I C -1.177 174.824 176.117 -0.193 0.000 0.987 57 I CA -0.564 60.616 61.300 -0.201 0.000 1.180 57 I CB 1.609 39.516 38.000 -0.155 0.000 1.340 57 I HN 0.440 nan 8.210 nan 0.000 0.455 58 V N 6.686 126.489 119.914 -0.185 0.000 2.876 58 V HA 0.559 4.679 4.120 0.000 0.000 0.312 58 V C -1.017 174.983 176.094 -0.156 0.000 1.085 58 V CA -0.542 61.663 62.300 -0.158 0.000 0.945 58 V CB 2.138 33.877 31.823 -0.140 0.000 1.017 58 V HN 0.699 nan 8.190 nan 0.000 0.428 59 D N 2.017 122.324 120.400 -0.155 0.000 2.947 59 D HA 0.296 4.936 4.640 0.000 0.000 0.224 59 D C 0.718 176.922 176.300 -0.159 0.000 1.230 59 D CA -0.571 53.321 54.000 -0.179 0.000 0.871 59 D CB 2.448 43.096 40.800 -0.253 0.000 1.671 59 D HN 0.621 nan 8.370 nan 0.000 0.507 60 R N 2.405 122.823 120.500 -0.137 0.000 2.189 60 R HA 0.049 4.389 4.340 0.000 0.000 0.223 60 R C 0.444 176.650 176.300 -0.156 0.000 1.092 60 R CA 0.298 56.331 56.100 -0.113 0.000 0.989 60 R CB 0.210 30.465 30.300 -0.075 0.000 0.876 60 R HN 0.166 nan 8.270 nan 0.000 0.457 61 R N 1.195 121.545 120.500 -0.250 0.000 2.637 61 R HA 0.116 4.456 4.340 0.000 0.000 0.269 61 R C -1.849 174.233 176.300 -0.364 0.000 1.089 61 R CA -1.632 54.251 56.100 -0.362 0.000 1.177 61 R CB 0.424 30.326 30.300 -0.663 0.000 1.091 61 R HN 0.058 nan 8.270 nan 0.000 0.540 62 P HA 0.084 nan 4.420 nan 0.000 0.257 62 P C -1.316 175.859 177.300 -0.209 0.000 1.325 62 P CA 0.327 63.307 63.100 -0.200 0.000 0.850 62 P CB 0.130 31.777 31.700 -0.089 0.000 1.324 63 H N -1.647 117.241 119.070 -0.303 0.000 3.008 63 H HA 0.559 5.115 4.556 0.000 0.000 0.354 63 H C 0.071 175.175 175.328 -0.374 0.000 1.252 63 H CA -1.514 54.284 56.048 -0.418 0.000 1.117 63 H CB 0.378 29.563 29.762 -0.962 0.000 1.857 63 H HN -0.185 nan 8.280 nan 0.000 0.547 64 I N -1.502 119.001 120.570 -0.112 0.000 3.276 64 I HA 0.634 4.805 4.170 0.000 0.000 0.306 64 I C 1.086 177.055 176.117 -0.246 0.000 1.060 64 I CA -0.232 60.949 61.300 -0.199 0.000 1.133 64 I CB 0.684 38.586 38.000 -0.164 0.000 1.473 64 I HN 1.096 nan 8.210 nan 0.000 0.649 65 G N 0.687 109.045 108.800 -0.737 0.000 2.176 65 G HA2 0.009 3.969 3.960 0.000 0.000 0.232 65 G HA3 0.009 3.969 3.960 0.000 0.000 0.232 65 G C 0.860 175.266 174.900 -0.824 0.000 0.986 65 G CA 0.186 44.425 45.100 -1.434 0.000 0.643 65 G HN 2.109 nan 8.290 nan 0.000 0.522 66 G N 0.652 109.185 108.800 -0.445 0.000 2.594 66 G HA2 -0.359 3.601 3.960 0.000 0.000 0.297 66 G HA3 -0.359 3.601 3.960 0.000 0.000 0.297 66 G C 0.881 175.636 174.900 -0.242 0.000 1.273 66 G CA 0.901 45.825 45.100 -0.294 0.000 0.974 66 G HN 1.045 nan 8.290 nan 0.000 0.552 67 N N 0.956 119.511 118.700 -0.242 0.000 2.364 67 N HA 0.085 4.825 4.740 0.000 0.000 0.183 67 N C 2.211 177.499 175.510 -0.371 0.000 1.022 67 N CA 1.680 54.575 53.050 -0.258 0.000 0.883 67 N CB -0.426 38.072 38.487 0.019 0.000 0.965 67 N HN 0.933 nan 8.380 nan 0.000 0.438 68 A N -0.431 122.143 122.820 -0.410 0.000 2.251 68 A HA -0.002 4.318 4.320 0.000 0.000 0.209 68 A C 0.389 177.706 177.584 -0.445 0.000 1.187 68 A CA -0.435 51.170 52.037 -0.719 0.000 0.823 68 A CB -0.565 18.204 19.000 -0.385 0.000 0.846 68 A HN 0.309 nan 8.150 nan 0.000 0.486 69 Y N 2.650 122.734 120.300 -0.360 0.000 2.811 69 Y HA 0.220 4.771 4.550 0.000 0.000 0.334 69 Y C -0.016 175.730 175.900 -0.256 0.000 1.247 69 Y CA -0.020 57.907 58.100 -0.288 0.000 1.526 69 Y CB 0.272 38.493 38.460 -0.398 0.000 1.284 69 Y HN 0.538 nan 8.280 nan 0.000 0.586 70 D N 4.361 124.247 120.400 -0.856 0.000 2.493 70 D HA 0.627 5.267 4.640 0.000 0.000 0.239 70 D C -1.050 174.626 176.300 -1.040 0.000 1.049 70 D CA -0.483 53.058 54.000 -0.766 0.000 1.008 70 D CB 1.220 41.856 40.800 -0.274 0.000 1.398 70 D HN 0.783 nan 8.370 nan 0.000 0.513 71 C N -2.486 116.395 119.300 -0.699 0.000 3.253 71 C HA 0.610 5.070 4.460 0.000 0.000 0.342 71 C C -1.543 173.194 174.990 -0.420 0.000 1.306 71 C CA -1.205 57.521 59.018 -0.487 0.000 1.207 71 C CB -0.284 27.223 27.740 -0.389 0.000 1.479 71 C HN 0.620 nan 8.230 nan 0.000 0.469 72 Y N 2.459 122.641 120.300 -0.197 0.000 2.336 72 Y HA 0.442 4.992 4.550 0.000 0.000 0.335 72 Y C 1.119 176.930 175.900 -0.149 0.000 1.046 72 Y CA 0.870 58.877 58.100 -0.155 0.000 1.198 72 Y CB 0.768 39.171 38.460 -0.094 0.000 1.182 72 Y HN 0.869 nan 8.280 nan 0.000 0.502 73 D N 0.271 120.633 120.400 -0.063 0.000 2.447 73 D HA -0.003 4.637 4.640 0.000 0.000 0.265 73 D C 0.375 176.666 176.300 -0.014 0.000 1.250 73 D CA -0.298 53.652 54.000 -0.085 0.000 1.046 73 D CB 0.506 41.220 40.800 -0.143 0.000 1.095 73 D HN 0.407 nan 8.370 nan 0.000 0.555 74 D N -0.861 119.525 120.400 -0.024 0.000 2.218 74 D HA -0.066 4.574 4.640 0.000 0.000 0.204 74 D C 1.568 177.884 176.300 0.027 0.000 0.976 74 D CA 1.645 55.647 54.000 0.003 0.000 0.853 74 D CB -0.338 40.459 40.800 -0.004 0.000 0.939 74 D HN 0.531 nan 8.370 nan 0.000 0.481 75 A N -0.683 122.147 122.820 0.017 0.000 2.218 75 A HA 0.443 4.763 4.320 0.000 0.000 0.209 75 A C 1.694 179.359 177.584 0.135 0.000 1.168 75 A CA 0.954 53.023 52.037 0.053 0.000 0.804 75 A CB 0.067 19.057 19.000 -0.017 0.000 0.834 75 A HN 0.222 nan 8.150 nan 0.000 0.482 76 G N -1.374 107.495 108.800 0.114 0.000 2.130 76 G HA2 -0.145 3.815 3.960 0.000 0.000 0.216 76 G HA3 -0.145 3.815 3.960 0.000 0.000 0.216 76 G C -0.031 175.003 174.900 0.224 0.000 0.999 76 G CA 0.029 45.271 45.100 0.237 0.000 0.686 76 G HN 0.782 nan 8.290 nan 0.000 0.515 77 V N 1.162 121.038 119.914 -0.064 0.000 2.427 77 V HA 0.627 4.747 4.120 0.000 0.000 0.286 77 V C 0.730 176.642 176.094 -0.303 0.000 1.034 77 V CA -0.930 61.233 62.300 -0.228 0.000 0.893 77 V CB 1.676 33.290 31.823 -0.349 0.000 0.982 77 V HN 0.442 nan 8.190 nan 0.000 0.452 78 L N 7.652 128.584 121.223 -0.486 0.000 2.418 78 L HA 0.500 4.840 4.340 0.000 0.000 0.274 78 L C -0.248 176.266 176.870 -0.593 0.000 1.135 78 L CA 0.726 55.100 54.840 -0.777 0.000 0.870 78 L CB -0.098 41.517 42.059 -0.740 0.000 1.154 78 L HN 0.668 nan 8.230 nan 0.000 0.462 79 I N 0.738 120.873 120.570 -0.726 0.000 3.174 79 I HA 0.531 4.701 4.170 0.000 0.000 0.313 79 I C -1.112 174.422 176.117 -0.973 0.000 1.155 79 I CA -0.840 59.708 61.300 -1.253 0.000 0.977 79 I CB 2.203 39.632 38.000 -0.951 0.000 1.248 79 I HN 0.571 nan 8.210 nan 0.000 0.453 80 H N 1.800 120.054 119.070 -1.361 0.000 2.673 80 H HA 0.318 4.875 4.556 0.000 0.000 0.293 80 H C -2.160 172.947 175.328 -0.368 0.000 1.065 80 H CA -1.960 53.756 56.048 -0.555 0.000 1.236 80 H CB 1.128 30.827 29.762 -0.105 0.000 1.389 80 H HN 0.426 nan 8.280 nan 0.000 0.481 81 P HA -0.206 nan 4.420 nan 0.000 0.217 81 P C -0.090 176.728 177.300 -0.803 0.000 1.148 81 P CA 1.431 64.194 63.100 -0.562 0.000 0.828 81 P CB 0.070 31.296 31.700 -0.790 0.000 0.783 82 Y N -0.860 119.175 120.300 -0.443 0.000 2.811 82 Y HA 0.512 5.062 4.550 0.000 0.000 0.330 82 Y C 1.403 176.987 175.900 -0.526 0.000 1.081 82 Y CA -0.206 57.358 58.100 -0.894 0.000 1.408 82 Y CB -0.290 37.945 38.460 -0.375 0.000 1.235 82 Y HN -0.072 nan 8.280 nan 0.000 0.529 83 G N 1.466 110.156 108.800 -0.183 0.000 2.730 83 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 83 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 83 G C -3.014 172.256 174.900 0.617 0.000 1.343 83 G CA -1.471 43.838 45.100 0.348 0.000 0.826 83 G HN 0.053 nan 8.290 nan 0.000 0.582 84 P HA 0.217 nan 4.420 nan 0.000 0.266 84 P C -0.644 176.982 177.300 0.545 0.000 1.215 84 P CA 0.461 63.922 63.100 0.601 0.000 0.763 84 P CB 0.247 32.077 31.700 0.217 0.000 0.806 85 H N 3.253 122.686 119.070 0.605 0.000 2.638 85 H HA 0.449 5.005 4.556 0.000 0.000 0.303 85 H C -0.074 175.549 175.328 0.490 0.000 1.034 85 H CA -0.417 55.828 56.048 0.329 0.000 1.225 85 H CB 0.230 29.977 29.762 -0.024 0.000 1.394 85 H HN 0.265 nan 8.280 nan 0.000 0.477 86 I N 3.818 124.669 120.570 0.469 0.000 2.328 86 I HA 0.111 4.281 4.170 0.000 0.000 0.287 86 I C -0.298 176.114 176.117 0.491 0.000 1.012 86 I CA -0.478 61.122 61.300 0.500 0.000 1.195 86 I CB 0.351 38.561 38.000 0.350 0.000 1.350 86 I HN 0.415 nan 8.210 nan 0.000 0.464 87 F N 7.608 127.828 119.950 0.450 0.000 2.456 87 F HA 0.435 4.962 4.527 0.000 0.000 0.358 87 F C 0.223 176.132 175.800 0.181 0.000 1.095 87 F CA 0.246 58.425 58.000 0.300 0.000 1.216 87 F CB 0.133 39.399 39.000 0.443 0.000 1.125 87 F HN 0.653 nan 8.300 nan 0.000 0.549 88 H N 1.443 119.904 119.070 -1.015 0.000 3.085 88 H HA 0.581 5.138 4.556 0.000 0.000 0.356 88 H C -1.285 173.501 175.328 -0.903 0.000 1.178 88 H CA -0.998 54.581 56.048 -0.782 0.000 1.214 88 H CB 1.663 30.956 29.762 -0.782 0.000 1.881 88 H HN 0.588 nan 8.280 nan 0.000 0.538 89 T N 1.074 115.343 114.554 -0.475 0.000 2.889 89 T HA 0.258 4.608 4.350 0.000 0.000 0.315 89 T C -0.441 174.250 174.700 -0.014 0.000 1.291 89 T CA -0.788 61.133 62.100 -0.298 0.000 1.028 89 T CB 1.387 70.111 68.868 -0.241 0.000 1.235 89 T HN 0.741 nan 8.240 nan 0.000 0.491 90 N N 1.127 119.824 118.700 -0.004 0.000 2.299 90 N HA 0.117 4.857 4.740 0.000 0.000 0.187 90 N C 0.208 175.807 175.510 0.149 0.000 1.099 90 N CA 0.111 53.200 53.050 0.065 0.000 0.867 90 N CB 0.700 39.185 38.487 -0.002 0.000 0.974 90 N HN 0.479 nan 8.380 nan 0.000 0.477 91 S N 0.808 116.567 115.700 0.098 0.000 2.416 91 S HA 0.156 4.626 4.470 0.000 0.000 0.287 91 S C 1.260 175.884 174.600 0.041 0.000 1.139 91 S CA -0.521 57.722 58.200 0.073 0.000 1.058 91 S CB 1.184 64.395 63.200 0.019 0.000 0.967 91 S HN 0.121 nan 8.310 nan 0.000 0.495 92 K N 3.728 124.171 120.400 0.073 0.000 2.063 92 K HA -0.146 4.174 4.320 0.000 0.000 0.208 92 K C 0.870 177.450 176.600 -0.033 0.000 1.048 92 K CA 2.007 58.259 56.287 -0.057 0.000 0.928 92 K CB -0.077 32.480 32.500 0.096 0.000 0.713 92 K HN 0.628 nan 8.250 nan 0.000 0.442 93 D N 0.091 120.506 120.400 0.025 0.000 2.097 93 D HA -0.145 4.496 4.640 0.000 0.000 0.195 93 D C 1.972 178.323 176.300 0.085 0.000 0.989 93 D CA 1.178 55.206 54.000 0.047 0.000 0.827 93 D CB -0.324 40.498 40.800 0.037 0.000 0.966 93 D HN 0.025 nan 8.370 nan 0.000 0.456 94 V N 0.818 120.783 119.914 0.085 0.000 2.287 94 V HA -0.250 3.870 4.120 0.000 0.000 0.248 94 V C 2.219 178.450 176.094 0.228 0.000 1.053 94 V CA 1.483 63.881 62.300 0.165 0.000 1.027 94 V CB -0.628 31.284 31.823 0.148 0.000 0.646 94 V HN 0.122 nan 8.190 nan 0.000 0.447 95 F N 0.876 120.800 119.950 -0.043 0.000 2.134 95 F HA -0.196 4.331 4.527 0.000 0.000 0.299 95 F C 2.485 178.250 175.800 -0.058 0.000 1.097 95 F CA 2.069 59.975 58.000 -0.157 0.000 1.264 95 F CB -0.033 38.581 39.000 -0.644 0.000 1.001 95 F HN 0.202 nan 8.300 nan 0.000 0.479 96 E N -1.181 118.980 120.200 -0.065 0.000 2.152 96 E HA -0.243 4.107 4.350 0.000 0.000 0.192 96 E C 1.826 178.399 176.600 -0.045 0.000 0.983 96 E CA 1.166 57.517 56.400 -0.082 0.000 0.818 96 E CB -0.417 29.280 29.700 -0.006 0.000 0.758 96 E HN 0.631 nan 8.360 nan 0.000 0.467 97 Y N 1.214 121.478 120.300 -0.060 0.000 2.133 97 Y HA -0.210 4.340 4.550 0.000 0.000 0.287 97 Y C 1.944 177.841 175.900 -0.004 0.000 1.134 97 Y CA 1.085 59.172 58.100 -0.022 0.000 1.133 97 Y CB -0.153 38.338 38.460 0.052 0.000 0.987 97 Y HN -0.043 nan 8.280 nan 0.000 0.502 98 L N 0.131 121.352 121.223 -0.003 0.000 2.191 98 L HA -0.173 4.167 4.340 0.000 0.000 0.212 98 L C 2.451 179.211 176.870 -0.184 0.000 1.103 98 L CA 1.751 56.567 54.840 -0.040 0.000 0.769 98 L CB -1.378 40.741 42.059 0.100 0.000 0.908 98 L HN 0.223 nan 8.230 nan 0.000 0.438 99 S N -0.765 114.830 115.700 -0.174 0.000 2.440 99 S HA -0.170 4.300 4.470 0.000 0.000 0.238 99 S C 1.937 176.309 174.600 -0.380 0.000 1.010 99 S CA 0.790 58.873 58.200 -0.195 0.000 0.972 99 S CB -0.268 62.852 63.200 -0.132 0.000 0.774 99 S HN 0.451 nan 8.310 nan 0.000 0.501 100 R N -0.150 119.995 120.500 -0.592 0.000 2.189 100 R HA 0.019 4.359 4.340 0.000 0.000 0.223 100 R C 0.716 176.425 176.300 -0.986 0.000 1.092 100 R CA 1.061 56.628 56.100 -0.887 0.000 0.989 100 R CB -0.194 29.306 30.300 -1.332 0.000 0.876 100 R HN 0.470 nan 8.270 nan 0.000 0.457 101 F N -1.485 118.239 119.950 -0.377 0.000 2.706 101 F HA 0.266 4.793 4.527 0.000 0.000 0.313 101 F C 0.422 175.982 175.800 -0.399 0.000 1.096 101 F CA -0.324 57.461 58.000 -0.359 0.000 1.219 101 F CB 1.297 40.064 39.000 -0.389 0.000 1.051 101 F HN -0.239 nan 8.300 nan 0.000 0.568 102 T N -0.125 114.189 114.554 -0.399 0.000 2.957 102 T HA 0.256 4.606 4.350 0.000 0.000 0.336 102 T C -0.968 173.295 174.700 -0.729 0.000 1.462 102 T CA -0.585 61.184 62.100 -0.552 0.000 1.073 102 T CB 1.360 69.767 68.868 -0.768 0.000 1.319 102 T HN 0.047 nan 8.240 nan 0.000 0.485 103 E N 1.330 121.209 120.200 -0.535 0.000 2.351 103 E HA 0.491 4.841 4.350 0.000 0.000 0.255 103 E C -0.944 175.273 176.600 -0.638 0.000 1.188 103 E CA -0.485 55.646 56.400 -0.449 0.000 0.940 103 E CB 0.921 30.512 29.700 -0.183 0.000 1.094 103 E HN 0.493 nan 8.360 nan 0.000 0.474 104 W N 0.274 121.538 121.300 -0.061 0.000 2.844 104 W HA 0.391 5.051 4.660 0.000 0.000 0.340 104 W C -0.242 176.287 176.519 0.016 0.000 1.093 104 W CA -0.821 56.525 57.345 0.002 0.000 1.212 104 W CB 1.258 30.805 29.460 0.144 0.000 1.422 104 W HN 0.165 nan 8.180 nan 0.000 0.515 105 R N 3.261 123.942 120.500 0.301 0.000 2.310 105 R HA 0.443 4.783 4.340 0.000 0.000 0.324 105 R C -2.642 173.841 176.300 0.304 0.000 0.955 105 R CA -1.789 54.440 56.100 0.216 0.000 0.830 105 R CB 1.221 31.584 30.300 0.104 0.000 1.154 105 R HN 0.095 nan 8.270 nan 0.000 0.458 106 P HA 0.026 nan 4.420 nan 0.000 0.268 106 P C -1.685 175.809 177.300 0.324 0.000 1.204 106 P CA 0.246 63.494 63.100 0.247 0.000 0.768 106 P CB 0.219 32.019 31.700 0.165 0.000 0.842 107 Y N 1.457 121.854 120.300 0.161 0.000 2.314 107 Y HA 0.244 4.794 4.550 0.000 0.000 0.317 107 Y C -1.524 174.492 175.900 0.193 0.000 1.234 107 Y CA -0.502 57.705 58.100 0.178 0.000 1.111 107 Y CB 1.437 40.027 38.460 0.218 0.000 1.283 107 Y HN 0.306 nan 8.280 nan 0.000 0.418 108 Q N 5.224 124.801 119.800 -0.371 0.000 2.425 108 Q HA 0.211 4.551 4.340 0.000 0.000 0.254 108 Q C -1.089 174.543 176.000 -0.614 0.000 1.032 108 Q CA -0.956 54.642 55.803 -0.342 0.000 0.798 108 Q CB 1.017 29.674 28.738 -0.135 0.000 1.210 108 Q HN 0.676 nan 8.270 nan 0.000 0.491 109 H N 2.465 121.104 119.070 -0.718 0.000 3.001 109 H HA 0.086 4.643 4.556 0.000 0.000 0.334 109 H C -0.674 174.499 175.328 -0.257 0.000 1.034 109 H CA 0.951 56.708 56.048 -0.485 0.000 1.420 109 H CB 0.435 30.176 29.762 -0.035 0.000 1.405 109 H HN 0.410 nan 8.280 nan 0.000 0.593 110 R N 3.211 123.355 120.500 -0.595 0.000 2.575 110 R HA 0.507 4.847 4.340 0.000 0.000 0.293 110 R C -1.387 174.531 176.300 -0.636 0.000 0.983 110 R CA -0.944 54.870 56.100 -0.475 0.000 0.887 110 R CB 2.017 32.159 30.300 -0.263 0.000 1.184 110 R HN 0.329 nan 8.270 nan 0.000 0.445 111 V N 4.270 123.885 119.914 -0.498 0.000 2.604 111 V HA 0.469 4.589 4.120 0.000 0.000 0.305 111 V C -0.898 175.036 176.094 -0.267 0.000 1.043 111 V CA -0.929 61.094 62.300 -0.462 0.000 0.888 111 V CB 1.898 33.347 31.823 -0.622 0.000 0.995 111 V HN 0.439 nan 8.190 nan 0.000 0.429 112 L N 3.421 124.500 121.223 -0.241 0.000 2.334 112 L HA 0.854 5.194 4.340 0.000 0.000 0.276 112 L C 0.294 177.059 176.870 -0.174 0.000 1.014 112 L CA -0.499 54.237 54.840 -0.173 0.000 0.815 112 L CB 1.631 43.591 42.059 -0.166 0.000 1.268 112 L HN 0.815 nan 8.230 nan 0.000 0.428 113 A N 1.594 124.353 122.820 -0.102 0.000 2.317 113 A HA 0.602 4.922 4.320 0.000 0.000 0.327 113 A C -0.101 177.384 177.584 -0.165 0.000 1.178 113 A CA -0.402 51.568 52.037 -0.111 0.000 0.817 113 A CB 0.898 19.934 19.000 0.061 0.000 1.189 113 A HN 0.607 nan 8.150 nan 0.000 0.489 114 S N 1.914 117.435 115.700 -0.298 0.000 2.416 114 S HA 0.490 4.960 4.470 0.000 0.000 0.302 114 S C -0.636 173.851 174.600 -0.189 0.000 1.120 114 S CA -0.239 57.810 58.200 -0.252 0.000 1.067 114 S CB -0.646 62.327 63.200 -0.378 0.000 1.057 114 S HN 0.688 nan 8.310 nan 0.000 0.518 115 V N 4.977 124.778 119.914 -0.188 0.000 2.686 115 V HA 0.345 4.465 4.120 0.000 0.000 0.306 115 V C -0.562 175.432 176.094 -0.166 0.000 1.065 115 V CA -0.879 61.264 62.300 -0.263 0.000 0.894 115 V CB 1.896 33.394 31.823 -0.541 0.000 1.004 115 V HN 0.855 nan 8.190 nan 0.000 0.424 116 D N 3.720 124.039 120.400 -0.136 0.000 2.701 116 D HA -0.186 4.454 4.640 0.000 0.000 0.235 116 D C 1.315 177.584 176.300 -0.052 0.000 1.155 116 D CA 1.952 55.903 54.000 -0.082 0.000 0.649 116 D CB -1.023 39.731 40.800 -0.077 0.000 1.050 116 D HN 1.551 nan 8.370 nan 0.000 0.425 117 G N -0.552 108.224 108.800 -0.040 0.000 2.179 117 G HA2 -0.349 3.611 3.960 0.000 0.000 0.257 117 G HA3 -0.349 3.611 3.960 0.000 0.000 0.257 117 G C 0.150 175.040 174.900 -0.017 0.000 1.010 117 G CA 0.821 45.914 45.100 -0.012 0.000 0.736 117 G HN 0.540 nan 8.290 nan 0.000 0.513 118 Q N -1.328 118.449 119.800 -0.039 0.000 2.413 118 Q HA 0.723 5.063 4.340 0.000 0.000 0.276 118 Q C -0.107 175.861 176.000 -0.054 0.000 1.099 118 Q CA -0.954 54.826 55.803 -0.038 0.000 0.814 118 Q CB 1.965 30.679 28.738 -0.039 0.000 1.379 118 Q HN 0.242 nan 8.270 nan 0.000 0.436 119 L N 2.684 123.876 121.223 -0.051 0.000 2.264 119 L HA 0.408 4.749 4.340 0.000 0.000 0.287 119 L C -1.211 175.629 176.870 -0.051 0.000 1.039 119 L CA -0.572 54.225 54.840 -0.071 0.000 0.829 119 L CB 0.319 42.330 42.059 -0.079 0.000 1.211 119 L HN 0.261 nan 8.230 nan 0.000 0.427 120 L N 5.815 127.023 121.223 -0.025 0.000 2.346 120 L HA 0.603 4.944 4.340 0.000 0.000 0.274 120 L C -2.222 174.648 176.870 -0.001 0.000 1.007 120 L CA -2.223 52.626 54.840 0.015 0.000 0.818 120 L CB 1.691 43.819 42.059 0.115 0.000 1.284 120 L HN 0.219 nan 8.230 nan 0.000 0.424 121 P HA 0.130 nan 4.420 nan 0.000 0.262 121 P C -0.906 176.327 177.300 -0.111 0.000 1.182 121 P CA 0.249 63.299 63.100 -0.084 0.000 0.761 121 P CB 0.430 32.075 31.700 -0.093 0.000 0.795 122 I N 5.558 126.070 120.570 -0.097 0.000 2.498 122 I HA 0.504 4.674 4.170 0.000 0.000 0.290 122 I C -2.658 173.434 176.117 -0.041 0.000 1.032 122 I CA -3.458 57.771 61.300 -0.119 0.000 1.073 122 I CB 1.957 39.909 38.000 -0.080 0.000 1.251 122 I HN 0.169 nan 8.210 nan 0.000 0.426 123 P HA 0.165 nan 4.420 nan 0.000 0.268 123 P C -0.500 176.676 177.300 -0.207 0.000 1.208 123 P CA 0.114 63.097 63.100 -0.195 0.000 0.777 123 P CB 0.305 31.873 31.700 -0.220 0.000 0.875 124 I N 2.435 122.851 120.570 -0.257 0.000 2.752 124 I HA -0.015 4.155 4.170 0.000 0.000 0.289 124 I C 1.133 177.190 176.117 -0.100 0.000 1.197 124 I CA 0.744 61.878 61.300 -0.275 0.000 1.432 124 I CB -0.239 37.574 38.000 -0.312 0.000 1.359 124 I HN 0.533 nan 8.210 nan 0.000 0.571 125 N N 5.622 124.288 118.700 -0.056 0.000 3.157 125 N HA 0.268 5.008 4.740 0.000 0.000 0.291 125 N C 0.315 175.833 175.510 0.012 0.000 1.515 125 N CA -0.908 52.143 53.050 0.002 0.000 0.807 125 N CB 0.589 39.045 38.487 -0.052 0.000 1.672 125 N HN 0.427 nan 8.380 nan 0.000 0.592 126 L N -0.013 121.197 121.223 -0.021 0.000 1.997 126 L HA -0.226 4.114 4.340 0.000 0.000 0.216 126 L C 0.799 177.624 176.870 -0.074 0.000 1.074 126 L CA 2.312 57.110 54.840 -0.069 0.000 0.763 126 L CB -0.490 41.512 42.059 -0.094 0.000 0.890 126 L HN 0.561 nan 8.230 nan 0.000 0.434 127 D N -0.981 119.379 120.400 -0.067 0.000 2.117 127 D HA -0.163 4.477 4.640 0.000 0.000 0.197 127 D C 1.981 178.245 176.300 -0.062 0.000 0.987 127 D CA 1.840 55.801 54.000 -0.065 0.000 0.829 127 D CB -0.306 40.458 40.800 -0.061 0.000 0.961 127 D HN 0.391 nan 8.370 nan 0.000 0.460 128 T N 1.029 115.545 114.554 -0.062 0.000 2.665 128 T HA -0.123 4.227 4.350 0.000 0.000 0.268 128 T C 2.302 176.967 174.700 -0.058 0.000 1.035 128 T CA 1.002 63.065 62.100 -0.062 0.000 1.151 128 T CB -0.404 68.380 68.868 -0.140 0.000 0.862 128 T HN 0.002 nan 8.240 nan 0.000 0.438 129 V N 2.152 122.037 119.914 -0.048 0.000 2.323 129 V HA -0.127 3.993 4.120 0.000 0.000 0.244 129 V C 2.485 178.519 176.094 -0.099 0.000 1.041 129 V CA 1.411 63.675 62.300 -0.059 0.000 1.025 129 V CB -0.604 31.178 31.823 -0.068 0.000 0.656 129 V HN 0.407 nan 8.190 nan 0.000 0.451 130 N N 0.446 119.085 118.700 -0.102 0.000 2.084 130 N HA -0.144 4.596 4.740 0.000 0.000 0.190 130 N C 1.996 177.471 175.510 -0.058 0.000 1.030 130 N CA 1.489 54.488 53.050 -0.084 0.000 0.849 130 N CB -0.337 38.101 38.487 -0.083 0.000 1.012 130 N HN 0.457 nan 8.380 nan 0.000 0.423 131 R N 0.159 120.622 120.500 -0.062 0.000 2.075 131 R HA -0.021 4.319 4.340 0.000 0.000 0.232 131 R C 2.135 178.396 176.300 -0.065 0.000 1.126 131 R CA 0.559 56.629 56.100 -0.051 0.000 0.963 131 R CB -0.475 29.799 30.300 -0.044 0.000 0.858 131 R HN 0.130 nan 8.270 nan 0.000 0.435 132 L N -0.260 120.889 121.223 -0.123 0.000 2.017 132 L HA -0.182 4.158 4.340 0.000 0.000 0.208 132 L C 1.310 178.052 176.870 -0.213 0.000 1.073 132 L CA 1.850 56.554 54.840 -0.226 0.000 0.745 132 L CB -0.223 41.596 42.059 -0.400 0.000 0.894 132 L HN 0.114 nan 8.230 nan 0.000 0.432 133 Y N -0.276 120.023 120.300 -0.001 0.000 2.458 133 Y HA 0.444 4.994 4.550 0.000 0.000 0.256 133 Y C 1.716 177.595 175.900 -0.035 0.000 1.159 133 Y CA -0.258 57.833 58.100 -0.015 0.000 1.261 133 Y CB -0.215 38.216 38.460 -0.047 0.000 1.119 133 Y HN 0.240 nan 8.280 nan 0.000 0.524 134 G N 0.870 109.716 108.800 0.077 0.000 2.160 134 G HA2 -0.267 3.694 3.960 0.000 0.000 0.244 134 G HA3 -0.267 3.694 3.960 0.000 0.000 0.244 134 G C -0.074 174.832 174.900 0.011 0.000 1.022 134 G CA 0.116 45.236 45.100 0.033 0.000 0.741 134 G HN 0.262 nan 8.290 nan 0.000 0.508 135 L N -0.552 120.666 121.223 -0.008 0.000 2.431 135 L HA 0.506 4.846 4.340 0.000 0.000 0.260 135 L C 0.745 177.577 176.870 -0.063 0.000 1.098 135 L CA -0.960 53.847 54.840 -0.056 0.000 0.800 135 L CB 0.796 42.777 42.059 -0.131 0.000 1.210 135 L HN 0.064 nan 8.230 nan 0.000 0.465 136 N N 1.966 120.626 118.700 -0.067 0.000 2.599 136 N HA 0.290 5.030 4.740 0.000 0.000 0.309 136 N C -0.778 174.694 175.510 -0.063 0.000 1.743 136 N CA -0.123 52.893 53.050 -0.056 0.000 0.918 136 N CB 0.822 39.288 38.487 -0.035 0.000 1.339 136 N HN 0.400 nan 8.380 nan 0.000 0.493 137 L N 1.275 122.438 121.223 -0.100 0.000 2.426 137 L HA 0.136 4.476 4.340 0.000 0.000 0.271 137 L C 1.581 178.405 176.870 -0.076 0.000 1.169 137 L CA 0.065 54.845 54.840 -0.100 0.000 0.836 137 L CB 0.434 42.386 42.059 -0.178 0.000 1.112 137 L HN 0.189 nan 8.230 nan 0.000 0.465 138 T N -1.168 113.366 114.554 -0.034 0.000 2.816 138 T HA 0.111 4.461 4.350 0.000 0.000 0.282 138 T C 1.221 175.862 174.700 -0.099 0.000 0.993 138 T CA -0.535 61.548 62.100 -0.028 0.000 0.994 138 T CB 1.347 70.272 68.868 0.096 0.000 1.025 138 T HN 0.551 nan 8.240 nan 0.000 0.529 139 S N 0.282 115.852 115.700 -0.217 0.000 2.374 139 S HA -0.065 4.405 4.470 0.000 0.000 0.227 139 S C 1.534 175.954 174.600 -0.299 0.000 1.037 139 S CA 1.392 59.395 58.200 -0.329 0.000 1.024 139 S CB -0.784 62.103 63.200 -0.523 0.000 0.861 139 S HN 0.659 nan 8.310 nan 0.000 0.456 140 F N 1.652 121.586 119.950 -0.027 0.000 2.102 140 F HA -0.102 4.425 4.527 0.000 0.000 0.298 140 F C 2.654 178.441 175.800 -0.022 0.000 1.105 140 F CA 1.010 58.999 58.000 -0.018 0.000 1.239 140 F CB -0.865 38.126 39.000 -0.015 0.000 0.991 140 F HN 0.209 nan 8.300 nan 0.000 0.474 141 Q N -0.416 119.466 119.800 0.138 0.000 2.119 141 Q HA -0.132 4.208 4.340 0.000 0.000 0.201 141 Q C 2.433 178.433 176.000 0.000 0.000 0.972 141 Q CA 1.305 57.145 55.803 0.063 0.000 0.847 141 Q CB -0.519 28.238 28.738 0.033 0.000 0.903 141 Q HN 0.331 nan 8.270 nan 0.000 0.433 142 V N 0.871 120.731 119.914 -0.089 0.000 2.759 142 V HA -0.243 3.877 4.120 0.000 0.000 0.256 142 V C 1.956 177.903 176.094 -0.245 0.000 1.080 142 V CA 1.709 63.864 62.300 -0.242 0.000 1.101 142 V CB -0.152 31.456 31.823 -0.359 0.000 0.698 142 V HN 0.370 nan 8.190 nan 0.000 0.477 143 E N -0.194 119.978 120.200 -0.047 0.000 2.047 143 E HA -0.244 4.106 4.350 0.000 0.000 0.191 143 E C 2.127 178.782 176.600 0.091 0.000 0.987 143 E CA 1.679 58.126 56.400 0.078 0.000 0.799 143 E CB -0.075 29.681 29.700 0.093 0.000 0.752 143 E HN 0.771 nan 8.360 nan 0.000 0.449 144 E N -0.173 120.068 120.200 0.069 0.000 2.110 144 E HA -0.191 4.159 4.350 0.000 0.000 0.193 144 E C 1.882 178.520 176.600 0.064 0.000 0.988 144 E CA 0.912 57.351 56.400 0.065 0.000 0.804 144 E CB -0.238 29.499 29.700 0.062 0.000 0.745 144 E HN 0.275 nan 8.360 nan 0.000 0.458 145 F N 0.972 120.867 119.950 -0.092 0.000 2.102 145 F HA -0.226 4.301 4.527 0.000 0.000 0.298 145 F C 1.800 177.597 175.800 -0.005 0.000 1.105 145 F CA 1.332 59.267 58.000 -0.108 0.000 1.239 145 F CB -0.150 38.714 39.000 -0.226 0.000 0.991 145 F HN -0.108 nan 8.300 nan 0.000 0.474 146 F N 0.868 120.830 119.950 0.020 0.000 2.134 146 F HA -0.077 4.450 4.527 0.000 0.000 0.299 146 F C 2.685 178.399 175.800 -0.143 0.000 1.097 146 F CA 0.916 58.864 58.000 -0.087 0.000 1.264 146 F CB -1.747 37.276 39.000 0.038 0.000 1.001 146 F HN 0.086 nan 8.300 nan 0.000 0.479 147 A N -0.221 122.665 122.820 0.110 0.000 1.948 147 A HA -0.222 4.098 4.320 0.000 0.000 0.220 147 A C 2.290 179.851 177.584 -0.039 0.000 1.177 147 A CA 2.269 54.324 52.037 0.031 0.000 0.636 147 A CB -1.111 17.911 19.000 0.036 0.000 0.815 147 A HN 0.415 nan 8.150 nan 0.000 0.449 148 S N -0.932 114.707 115.700 -0.101 0.000 2.548 148 S HA 0.113 4.584 4.470 0.000 0.000 0.215 148 S C 1.279 175.770 174.600 -0.181 0.000 0.976 148 S CA 0.799 58.923 58.200 -0.127 0.000 0.908 148 S CB -0.146 62.982 63.200 -0.119 0.000 0.781 148 S HN 0.999 nan 8.310 nan 0.000 0.519 149 V N -2.276 117.495 119.914 -0.238 0.000 3.635 149 V HA 0.630 4.750 4.120 0.000 0.000 0.266 149 V C 1.093 177.126 176.094 -0.102 0.000 1.316 149 V CA -0.230 61.952 62.300 -0.196 0.000 1.060 149 V CB -0.929 30.720 31.823 -0.290 0.000 0.820 149 V HN 0.522 nan 8.190 nan 0.000 0.447 150 A N 1.044 123.816 122.820 -0.081 0.000 2.536 150 A HA 0.269 4.589 4.320 0.000 0.000 0.234 150 A C 0.265 177.812 177.584 -0.063 0.000 1.076 150 A CA 0.393 52.393 52.037 -0.062 0.000 0.769 150 A CB -0.160 18.811 19.000 -0.048 0.000 1.020 150 A HN 0.684 nan 8.150 nan 0.000 0.508 151 E N 0.704 120.861 120.200 -0.072 0.000 2.183 151 E HA 0.227 4.578 4.350 0.000 0.000 0.271 151 E C -0.628 175.931 176.600 -0.068 0.000 0.919 151 E CA -0.953 55.406 56.400 -0.069 0.000 0.781 151 E CB 1.258 30.909 29.700 -0.081 0.000 1.140 151 E HN 0.458 nan 8.360 nan 0.000 0.402 152 K N 1.917 122.284 120.400 -0.055 0.000 2.447 152 K HA 0.145 4.466 4.320 0.000 0.000 0.281 152 K C -0.892 175.675 176.600 -0.056 0.000 1.031 152 K CA 0.128 56.386 56.287 -0.050 0.000 1.019 152 K CB 0.661 33.137 32.500 -0.039 0.000 0.918 152 K HN 0.231 nan 8.250 nan 0.000 0.476 153 V N 4.373 124.252 119.914 -0.057 0.000 2.488 153 V HA 0.070 4.190 4.120 0.000 0.000 0.293 153 V C 1.215 177.281 176.094 -0.048 0.000 1.027 153 V CA -0.628 61.637 62.300 -0.059 0.000 0.862 153 V CB 1.488 33.266 31.823 -0.075 0.000 1.008 153 V HN 0.778 nan 8.190 nan 0.000 0.428 154 E N 2.392 122.568 120.200 -0.040 0.000 2.049 154 E HA -0.206 4.144 4.350 0.000 0.000 0.198 154 E C 0.788 177.368 176.600 -0.033 0.000 1.007 154 E CA 1.426 57.806 56.400 -0.033 0.000 0.809 154 E CB 0.382 30.066 29.700 -0.028 0.000 0.749 154 E HN 0.697 nan 8.360 nan 0.000 0.450 155 Q N 0.319 120.098 119.800 -0.036 0.000 2.304 155 Q HA 0.266 4.606 4.340 0.000 0.000 0.270 155 Q C -1.544 174.430 176.000 -0.043 0.000 1.035 155 Q CA -0.368 55.413 55.803 -0.036 0.000 0.781 155 Q CB 2.258 30.979 28.738 -0.028 0.000 1.261 155 Q HN -0.104 nan 8.270 nan 0.000 0.444 156 V N 5.911 125.797 119.914 -0.047 0.000 2.370 156 V HA 0.172 4.292 4.120 0.000 0.000 0.257 156 V C 0.804 176.868 176.094 -0.049 0.000 1.064 156 V CA 0.457 62.722 62.300 -0.057 0.000 0.975 156 V CB 0.460 32.244 31.823 -0.064 0.000 1.067 156 V HN 0.799 nan 8.190 nan 0.000 0.485 157 R N 2.036 122.506 120.500 -0.049 0.000 2.164 157 R HA 0.127 4.468 4.340 0.000 0.000 0.198 157 R C 1.106 177.379 176.300 -0.045 0.000 1.028 157 R CA 0.632 56.708 56.100 -0.040 0.000 1.083 157 R CB 0.356 30.637 30.300 -0.032 0.000 1.026 157 R HN 0.732 nan 8.270 nan 0.000 0.514 158 T N -2.417 112.104 114.554 -0.054 0.000 2.912 158 T HA 0.220 4.570 4.350 0.000 0.000 0.280 158 T C 1.026 175.687 174.700 -0.065 0.000 0.989 158 T CA -0.638 61.429 62.100 -0.054 0.000 0.995 158 T CB 1.910 70.750 68.868 -0.047 0.000 1.077 158 T HN -0.162 nan 8.240 nan 0.000 0.531 159 S N -0.364 115.305 115.700 -0.051 0.000 2.447 159 S HA -0.070 4.400 4.470 0.000 0.000 0.233 159 S C 1.782 176.367 174.600 -0.025 0.000 1.006 159 S CA 1.067 59.245 58.200 -0.036 0.000 0.957 159 S CB -0.473 62.721 63.200 -0.010 0.000 0.773 159 S HN 0.862 nan 8.310 nan 0.000 0.507 160 E N 1.128 121.309 120.200 -0.032 0.000 2.047 160 E HA -0.178 4.172 4.350 0.000 0.000 0.191 160 E C 1.166 177.600 176.600 -0.278 0.000 0.987 160 E CA 1.233 57.531 56.400 -0.171 0.000 0.799 160 E CB -0.038 29.563 29.700 -0.166 0.000 0.752 160 E HN 0.355 nan 8.360 nan 0.000 0.449 161 D N 0.524 120.815 120.400 -0.181 0.000 2.104 161 D HA -0.176 4.464 4.640 0.000 0.000 0.194 161 D C 2.150 178.343 176.300 -0.178 0.000 0.994 161 D CA 1.949 55.848 54.000 -0.169 0.000 0.830 161 D CB -0.350 40.381 40.800 -0.114 0.000 0.959 161 D HN 0.271 nan 8.370 nan 0.000 0.452 162 V N -0.281 119.535 119.914 -0.163 0.000 2.594 162 V HA -0.165 3.955 4.120 0.000 0.000 0.253 162 V C 2.448 178.401 176.094 -0.235 0.000 1.069 162 V CA 1.063 63.260 62.300 -0.173 0.000 1.082 162 V CB -0.945 30.786 31.823 -0.154 0.000 0.680 162 V HN 0.012 nan 8.190 nan 0.000 0.469 163 V N -0.732 119.013 119.914 -0.282 0.000 2.403 163 V HA -0.021 4.099 4.120 0.000 0.000 0.239 163 V C 2.508 178.454 176.094 -0.246 0.000 1.041 163 V CA 1.393 63.492 62.300 -0.335 0.000 1.051 163 V CB -0.050 31.550 31.823 -0.371 0.000 0.704 163 V HN 0.345 nan 8.190 nan 0.000 0.472 164 V N 1.627 121.367 119.914 -0.291 0.000 2.568 164 V HA -0.201 3.919 4.120 0.000 0.000 0.253 164 V C 2.583 178.573 176.094 -0.174 0.000 1.072 164 V CA 2.356 64.501 62.300 -0.257 0.000 1.084 164 V CB -0.409 31.169 31.823 -0.409 0.000 0.676 164 V HN 0.762 nan 8.190 nan 0.000 0.469 165 S N -1.342 114.254 115.700 -0.172 0.000 2.562 165 S HA 0.041 4.511 4.470 0.000 0.000 0.221 165 S C 1.541 176.068 174.600 -0.123 0.000 0.975 165 S CA 0.317 58.440 58.200 -0.129 0.000 0.918 165 S CB -0.035 63.095 63.200 -0.117 0.000 0.772 165 S HN 0.675 nan 8.310 nan 0.000 0.531 166 K N 0.644 120.948 120.400 -0.160 0.000 2.387 166 K HA 0.232 4.553 4.320 0.000 0.000 0.197 166 K C 1.175 177.626 176.600 -0.249 0.000 1.127 166 K CA 0.938 57.115 56.287 -0.184 0.000 0.950 166 K CB 0.775 33.144 32.500 -0.219 0.000 1.017 166 K HN 0.387 nan 8.250 nan 0.000 0.519 167 V N -2.568 117.201 119.914 -0.241 0.000 3.398 167 V HA 0.444 4.564 4.120 0.000 0.000 0.298 167 V C 0.476 176.570 176.094 0.000 0.000 1.496 167 V CA -0.024 62.130 62.300 -0.244 0.000 1.044 167 V CB 0.009 31.618 31.823 -0.357 0.000 0.880 167 V HN 0.353 nan 8.190 nan 0.000 0.443 168 G N 1.644 110.430 108.800 -0.023 0.000 2.728 168 G HA2 -0.214 3.746 3.960 0.000 0.000 0.294 168 G HA3 -0.214 3.746 3.960 0.000 0.000 0.294 168 G C 0.129 175.079 174.900 0.084 0.000 1.342 168 G CA 0.461 45.569 45.100 0.015 0.000 0.866 168 G HN 0.632 nan 8.290 nan 0.000 0.534 169 R N -0.276 120.282 120.500 0.097 0.000 2.080 169 R HA 0.095 4.436 4.340 0.000 0.000 0.222 169 R C 2.156 178.617 176.300 0.267 0.000 1.107 169 R CA 2.114 58.313 56.100 0.164 0.000 0.980 169 R CB -0.792 29.568 30.300 0.100 0.000 0.879 169 R HN 0.605 nan 8.270 nan 0.000 0.439 170 D N -0.164 120.375 120.400 0.231 0.000 2.117 170 D HA -0.129 4.511 4.640 0.000 0.000 0.197 170 D C 1.791 178.291 176.300 0.334 0.000 0.987 170 D CA 1.368 55.528 54.000 0.266 0.000 0.829 170 D CB -0.013 40.960 40.800 0.287 0.000 0.961 170 D HN 0.284 nan 8.370 nan 0.000 0.460 171 L N -0.574 120.888 121.223 0.398 0.000 2.093 171 L HA -0.146 4.195 4.340 0.000 0.000 0.208 171 L C 2.271 179.452 176.870 0.519 0.000 1.085 171 L CA 0.898 56.031 54.840 0.488 0.000 0.755 171 L CB -0.594 41.726 42.059 0.434 0.000 0.904 171 L HN 0.175 nan 8.230 nan 0.000 0.435 172 Y N 1.517 121.989 120.300 0.287 0.000 2.128 172 Y HA -0.303 4.247 4.550 0.000 0.000 0.284 172 Y C 2.459 178.526 175.900 0.279 0.000 1.154 172 Y CA 1.838 60.103 58.100 0.276 0.000 1.149 172 Y CB -0.319 38.217 38.460 0.126 0.000 0.976 172 Y HN 0.213 nan 8.280 nan 0.000 0.505 173 N N 0.486 119.258 118.700 0.121 0.000 2.120 173 N HA -0.152 4.588 4.740 0.000 0.000 0.188 173 N C 1.755 177.241 175.510 -0.040 0.000 1.024 173 N CA 1.716 54.746 53.050 -0.034 0.000 0.852 173 N CB -0.371 38.162 38.487 0.077 0.000 1.003 173 N HN 0.391 nan 8.380 nan 0.000 0.424 174 K N -0.857 119.558 120.400 0.026 0.000 2.148 174 K HA 0.036 4.356 4.320 0.000 0.000 0.204 174 K C 1.067 177.426 176.600 -0.401 0.000 1.050 174 K CA 0.997 57.169 56.287 -0.191 0.000 0.942 174 K CB 0.037 32.398 32.500 -0.232 0.000 0.724 174 K HN 0.132 nan 8.250 nan 0.000 0.446 175 F N -2.741 117.193 119.950 -0.028 0.000 2.711 175 F HA 0.208 4.735 4.527 0.000 0.000 0.296 175 F C 1.199 176.784 175.800 -0.359 0.000 1.096 175 F CA -0.076 57.801 58.000 -0.205 0.000 1.280 175 F CB 0.426 39.254 39.000 -0.287 0.000 1.060 175 F HN -0.124 nan 8.300 nan 0.000 0.608 176 F N -0.679 119.314 119.950 0.072 0.000 2.537 176 F HA 0.253 4.780 4.527 0.000 0.000 0.277 176 F C 2.388 178.137 175.800 -0.085 0.000 1.013 176 F CA 0.174 58.185 58.000 0.019 0.000 1.332 176 F CB -0.441 38.603 39.000 0.074 0.000 1.108 176 F HN -0.388 nan 8.300 nan 0.000 0.679 177 R N 0.713 121.067 120.500 -0.242 0.000 2.082 177 R HA -0.137 4.203 4.340 0.000 0.000 0.234 177 R C 2.357 178.638 176.300 -0.031 0.000 1.136 177 R CA 1.922 57.842 56.100 -0.300 0.000 0.935 177 R CB -1.043 28.927 30.300 -0.550 0.000 0.842 177 R HN 0.394 nan 8.270 nan 0.000 0.430 178 G N -0.701 108.083 108.800 -0.028 0.000 2.418 178 G HA2 -0.328 3.632 3.960 0.000 0.000 0.217 178 G HA3 -0.328 3.632 3.960 0.000 0.000 0.217 178 G C 1.340 176.276 174.900 0.061 0.000 1.158 178 G CA 0.814 45.918 45.100 0.006 0.000 0.771 178 G HN 0.498 nan 8.290 nan 0.000 0.545 179 Y N 1.701 121.991 120.300 -0.016 0.000 2.145 179 Y HA -0.177 4.374 4.550 0.000 0.000 0.286 179 Y C 3.161 179.109 175.900 0.080 0.000 1.145 179 Y CA 2.272 60.379 58.100 0.012 0.000 1.148 179 Y CB -0.160 38.292 38.460 -0.014 0.000 0.981 179 Y HN 0.213 nan 8.280 nan 0.000 0.507 180 T N 0.325 115.132 114.554 0.422 0.000 2.737 180 T HA -0.160 4.191 4.350 0.000 0.000 0.265 180 T C 1.838 176.757 174.700 0.365 0.000 1.038 180 T CA 1.630 64.030 62.100 0.499 0.000 1.144 180 T CB -0.244 68.891 68.868 0.444 0.000 0.866 180 T HN 0.308 nan 8.240 nan 0.000 0.434 181 R N 0.816 121.439 120.500 0.204 0.000 2.091 181 R HA -0.070 4.270 4.340 0.000 0.000 0.238 181 R C 2.568 178.914 176.300 0.077 0.000 1.136 181 R CA 1.490 57.673 56.100 0.139 0.000 0.959 181 R CB -0.176 30.172 30.300 0.080 0.000 0.856 181 R HN 0.321 nan 8.270 nan 0.000 0.437 182 K N 0.562 120.960 120.400 -0.005 0.000 2.025 182 K HA -0.251 4.069 4.320 0.000 0.000 0.207 182 K C 2.238 178.743 176.600 -0.158 0.000 1.049 182 K CA 1.763 57.992 56.287 -0.098 0.000 0.933 182 K CB 0.031 32.423 32.500 -0.180 0.000 0.714 182 K HN -0.040 nan 8.250 nan 0.000 0.438 183 Q N -0.538 119.114 119.800 -0.246 0.000 2.084 183 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 183 Q C 1.122 176.818 176.000 -0.505 0.000 0.978 183 Q CA 2.079 57.603 55.803 -0.464 0.000 0.844 183 Q CB -0.150 28.225 28.738 -0.604 0.000 0.898 183 Q HN 0.479 nan 8.270 nan 0.000 0.426 184 W N -1.471 119.803 121.300 -0.042 0.000 3.013 184 W HA 0.431 5.091 4.660 0.000 0.000 0.280 184 W C 1.138 177.658 176.519 0.002 0.000 1.249 184 W CA 0.171 57.502 57.345 -0.024 0.000 1.577 184 W CB 0.388 29.853 29.460 0.008 0.000 1.057 184 W HN 0.268 nan 8.180 nan 0.000 0.613 185 G N 0.870 109.781 108.800 0.186 0.000 2.153 185 G HA2 -0.236 3.724 3.960 0.000 0.000 0.252 185 G HA3 -0.236 3.724 3.960 0.000 0.000 0.252 185 G C -0.657 174.330 174.900 0.145 0.000 0.994 185 G CA 0.054 45.231 45.100 0.129 0.000 0.698 185 G HN 0.084 nan 8.290 nan 0.000 0.521 186 L N 0.201 121.539 121.223 0.192 0.000 2.434 186 L HA 0.538 4.878 4.340 0.000 0.000 0.260 186 L C -0.156 176.800 176.870 0.143 0.000 0.983 186 L CA -1.491 53.437 54.840 0.146 0.000 0.820 186 L CB 1.811 43.950 42.059 0.133 0.000 1.361 186 L HN 0.248 nan 8.230 nan 0.000 0.410 187 D N 3.281 123.746 120.400 0.108 0.000 2.372 187 D HA 0.131 4.771 4.640 0.000 0.000 0.243 187 D C -1.782 174.588 176.300 0.115 0.000 1.121 187 D CA -1.276 52.797 54.000 0.121 0.000 0.898 187 D CB 2.204 43.069 40.800 0.108 0.000 1.202 187 D HN 0.284 nan 8.370 nan 0.000 0.428 188 P HA -0.144 nan 4.420 nan 0.000 0.220 188 P C 1.236 178.581 177.300 0.074 0.000 1.144 188 P CA 1.098 64.286 63.100 0.147 0.000 0.800 188 P CB 0.058 31.947 31.700 0.315 0.000 0.772 189 S N -1.094 114.655 115.700 0.080 0.000 2.481 189 S HA -0.060 4.410 4.470 0.000 0.000 0.231 189 S C 1.476 176.080 174.600 0.008 0.000 0.996 189 S CA 0.677 58.893 58.200 0.027 0.000 0.942 189 S CB -0.811 62.408 63.200 0.031 0.000 0.768 189 S HN 0.246 nan 8.310 nan 0.000 0.520 190 E N 0.420 120.627 120.200 0.011 0.000 2.463 190 E HA 0.346 4.696 4.350 0.000 0.000 0.193 190 E C -0.365 176.209 176.600 -0.044 0.000 1.041 190 E CA -0.106 56.292 56.400 -0.003 0.000 0.879 190 E CB 0.229 29.940 29.700 0.019 0.000 0.997 190 E HN 0.523 nan 8.360 nan 0.000 0.478 191 L N 0.621 121.797 121.223 -0.078 0.000 2.333 191 L HA 0.307 4.647 4.340 0.000 0.000 0.269 191 L C 0.186 176.990 176.870 -0.110 0.000 1.010 191 L CA -1.065 53.681 54.840 -0.157 0.000 0.818 191 L CB 1.635 43.507 42.059 -0.311 0.000 1.306 191 L HN -0.021 nan 8.230 nan 0.000 0.430 192 D N 0.968 121.301 120.400 -0.111 0.000 2.414 192 D HA 0.043 4.683 4.640 0.000 0.000 0.242 192 D C 0.855 177.116 176.300 -0.065 0.000 1.129 192 D CA 0.371 54.331 54.000 -0.066 0.000 0.885 192 D CB 1.903 42.678 40.800 -0.042 0.000 1.198 192 D HN 0.688 nan 8.370 nan 0.000 0.437 193 A N 3.067 125.857 122.820 -0.049 0.000 1.997 193 A HA -0.250 4.070 4.320 0.000 0.000 0.221 193 A C 2.206 179.767 177.584 -0.039 0.000 1.172 193 A CA 2.356 54.362 52.037 -0.051 0.000 0.645 193 A CB -0.727 18.242 19.000 -0.052 0.000 0.813 193 A HN 0.694 nan 8.150 nan 0.000 0.454 194 S N -0.670 115.017 115.700 -0.022 0.000 2.442 194 S HA -0.104 4.366 4.470 0.000 0.000 0.236 194 S C 1.676 176.287 174.600 0.018 0.000 1.007 194 S CA 1.350 59.549 58.200 -0.002 0.000 0.965 194 S CB -0.770 62.442 63.200 0.019 0.000 0.773 194 S HN 0.270 nan 8.310 nan 0.000 0.504 195 V N 2.856 122.783 119.914 0.022 0.000 2.229 195 V HA -0.129 3.991 4.120 0.000 0.000 0.243 195 V C 3.173 179.354 176.094 0.145 0.000 1.042 195 V CA 2.194 64.555 62.300 0.101 0.000 1.000 195 V CB -1.484 30.295 31.823 -0.074 0.000 0.637 195 V HN 0.845 nan 8.190 nan 0.000 0.446 196 T N -1.187 113.426 114.554 0.099 0.000 3.035 196 T HA 0.040 4.390 4.350 0.000 0.000 0.268 196 T C 1.634 176.342 174.700 0.013 0.000 1.109 196 T CA 1.033 63.206 62.100 0.122 0.000 1.119 196 T CB -0.266 68.620 68.868 0.030 0.000 0.900 196 T HN 0.420 nan 8.240 nan 0.000 0.503 197 A N 1.525 124.332 122.820 -0.022 0.000 2.209 197 A HA 0.145 4.466 4.320 0.000 0.000 0.212 197 A C 2.428 179.992 177.584 -0.034 0.000 1.158 197 A CA 0.386 52.390 52.037 -0.055 0.000 0.742 197 A CB -0.590 18.377 19.000 -0.055 0.000 0.790 197 A HN 0.530 nan 8.150 nan 0.000 0.472 198 R N -0.891 119.609 120.500 0.000 0.000 2.148 198 R HA -0.010 4.330 4.340 0.000 0.000 0.227 198 R C -0.184 176.090 176.300 -0.043 0.000 1.103 198 R CA 1.032 57.125 56.100 -0.013 0.000 0.983 198 R CB -0.037 30.265 30.300 0.002 0.000 0.874 198 R HN 0.296 nan 8.270 nan 0.000 0.451 199 V N 3.062 122.974 119.914 -0.004 0.000 2.233 199 V HA 0.228 4.348 4.120 0.000 0.000 0.261 199 V C -2.354 173.726 176.094 -0.023 0.000 1.076 199 V CA -1.753 60.518 62.300 -0.049 0.000 1.001 199 V CB 0.609 32.476 31.823 0.072 0.000 1.206 199 V HN 0.014 nan 8.190 nan 0.000 0.468 200 P HA 0.337 nan 4.420 nan 0.000 0.278 200 P C 0.248 177.474 177.300 -0.122 0.000 1.238 200 P CA 0.059 63.090 63.100 -0.115 0.000 0.794 200 P CB 0.657 32.292 31.700 -0.109 0.000 0.955 201 T N 2.879 117.344 114.554 -0.149 0.000 2.904 201 T HA 0.365 4.715 4.350 0.000 0.000 0.290 201 T C 0.352 174.985 174.700 -0.111 0.000 1.018 201 T CA -0.340 61.661 62.100 -0.166 0.000 1.075 201 T CB 0.379 69.054 68.868 -0.322 0.000 0.986 201 T HN 0.292 nan 8.240 nan 0.000 0.523 202 R N 0.117 120.589 120.500 -0.048 0.000 2.807 202 R HA 0.463 4.803 4.340 0.000 0.000 0.276 202 R C 0.954 177.322 176.300 0.114 0.000 0.979 202 R CA -0.620 55.479 56.100 -0.001 0.000 0.928 202 R CB 1.366 31.640 30.300 -0.043 0.000 1.191 202 R HN 0.785 nan 8.270 nan 0.000 0.471 203 T N -2.953 111.650 114.554 0.083 0.000 3.040 203 T HA 0.018 4.368 4.350 0.000 0.000 0.250 203 T C 0.661 175.335 174.700 -0.043 0.000 1.058 203 T CA -0.187 61.958 62.100 0.074 0.000 0.988 203 T CB -0.268 68.630 68.868 0.051 0.000 0.993 203 T HN 0.583 nan 8.240 nan 0.000 0.519 204 N N 1.750 120.416 118.700 -0.057 0.000 2.514 204 N HA 0.263 5.003 4.740 0.000 0.000 0.299 204 N C 0.295 175.757 175.510 -0.080 0.000 1.292 204 N CA -1.026 51.968 53.050 -0.094 0.000 0.963 204 N CB 0.401 38.833 38.487 -0.092 0.000 1.124 204 N HN 0.085 nan 8.380 nan 0.000 0.580 205 R N -1.620 118.829 120.500 -0.085 0.000 2.552 205 R HA 0.203 4.543 4.340 0.000 0.000 0.314 205 R C -0.743 175.512 176.300 -0.075 0.000 1.041 205 R CA -0.469 55.585 56.100 -0.077 0.000 1.076 205 R CB -0.252 30.004 30.300 -0.075 0.000 1.290 205 R HN 0.545 nan 8.270 nan 0.000 0.563 206 D N 2.100 122.453 120.400 -0.078 0.000 2.371 206 D HA -0.038 4.602 4.640 0.000 0.000 0.256 206 D C 0.436 176.679 176.300 -0.094 0.000 1.193 206 D CA 0.161 54.111 54.000 -0.083 0.000 0.881 206 D CB 0.768 41.517 40.800 -0.085 0.000 1.143 206 D HN 0.209 nan 8.370 nan 0.000 0.473 207 N N 2.649 121.292 118.700 -0.094 0.000 2.214 207 N HA 0.017 4.757 4.740 0.000 0.000 0.214 207 N C -0.183 175.255 175.510 -0.121 0.000 1.132 207 N CA -0.343 52.644 53.050 -0.105 0.000 0.856 207 N CB 0.112 38.542 38.487 -0.095 0.000 1.020 207 N HN 0.137 nan 8.380 nan 0.000 0.509 208 R N -0.213 120.213 120.500 -0.123 0.000 2.490 208 R HA 0.125 4.465 4.340 0.000 0.000 0.280 208 R C 0.359 176.552 176.300 -0.178 0.000 1.077 208 R CA -0.510 55.508 56.100 -0.138 0.000 1.065 208 R CB 0.423 30.659 30.300 -0.107 0.000 1.003 208 R HN 0.019 nan 8.270 nan 0.000 0.470 209 Y N 1.420 121.463 120.300 -0.429 0.000 2.293 209 Y HA 0.014 4.564 4.550 0.000 0.000 0.291 209 Y C -0.183 175.239 175.900 -0.797 0.000 1.137 209 Y CA 1.130 58.829 58.100 -0.667 0.000 1.202 209 Y CB 0.347 38.272 38.460 -0.892 0.000 0.990 209 Y HN 0.381 nan 8.280 nan 0.000 0.537 210 F N -1.847 118.023 119.950 -0.133 0.000 2.532 210 F HA 0.553 5.080 4.527 0.000 0.000 0.321 210 F C 0.605 176.302 175.800 -0.172 0.000 1.089 210 F CA -0.713 57.145 58.000 -0.236 0.000 0.926 210 F CB 1.583 40.371 39.000 -0.354 0.000 1.168 210 F HN -0.227 nan 8.300 nan 0.000 0.459 211 A N 0.809 123.644 122.820 0.024 0.000 2.423 211 A HA 0.240 4.560 4.320 0.000 0.000 0.246 211 A C -0.248 177.313 177.584 -0.037 0.000 1.278 211 A CA -0.354 51.666 52.037 -0.030 0.000 0.903 211 A CB -0.742 18.223 19.000 -0.059 0.000 0.997 211 A HN 0.692 nan 8.150 nan 0.000 0.510 212 D N 0.189 120.585 120.400 -0.007 0.000 2.449 212 D HA 0.155 4.795 4.640 0.000 0.000 0.236 212 D C 1.334 177.549 176.300 -0.142 0.000 1.149 212 D CA 0.694 54.663 54.000 -0.051 0.000 0.878 212 D CB 0.676 41.467 40.800 -0.015 0.000 1.198 212 D HN 0.143 nan 8.370 nan 0.000 0.446 213 T N 0.788 115.202 114.554 -0.233 0.000 2.720 213 T HA -0.187 4.163 4.350 0.000 0.000 0.268 213 T C 0.382 174.675 174.700 -0.678 0.000 1.037 213 T CA 1.350 63.154 62.100 -0.493 0.000 1.144 213 T CB -0.281 68.173 68.868 -0.691 0.000 0.864 213 T HN 0.374 nan 8.240 nan 0.000 0.444 214 Y N 1.421 121.540 120.300 -0.301 0.000 2.356 214 Y HA 0.492 5.042 4.550 0.000 0.000 0.334 214 Y C 0.113 175.808 175.900 -0.343 0.000 0.958 214 Y CA -1.007 56.781 58.100 -0.521 0.000 1.196 214 Y CB 0.894 38.821 38.460 -0.888 0.000 1.137 214 Y HN 0.028 nan 8.280 nan 0.000 0.485 215 Q N 3.126 122.852 119.800 -0.124 0.000 2.337 215 Q HA 0.831 5.171 4.340 0.000 0.000 0.264 215 Q C -1.239 174.840 176.000 0.131 0.000 1.007 215 Q CA -0.830 54.997 55.803 0.040 0.000 0.727 215 Q CB 2.302 31.067 28.738 0.044 0.000 1.256 215 Q HN 0.758 nan 8.270 nan 0.000 0.467 216 A N 2.846 125.840 122.820 0.291 0.000 2.605 216 A HA 0.727 5.048 4.320 0.000 0.000 0.294 216 A C -1.350 176.624 177.584 0.649 0.000 1.062 216 A CA -0.750 51.541 52.037 0.422 0.000 0.682 216 A CB 1.533 20.738 19.000 0.342 0.000 1.278 216 A HN 0.515 nan 8.150 nan 0.000 0.410 217 M N 1.629 121.569 119.600 0.567 0.000 2.363 217 M HA 0.385 4.865 4.480 0.000 0.000 0.343 217 M C -2.530 173.919 176.300 0.250 0.000 1.165 217 M CA -2.547 52.990 55.300 0.395 0.000 1.046 217 M CB 0.685 33.408 32.600 0.206 0.000 1.648 217 M HN 0.286 nan 8.290 nan 0.000 0.452 218 P HA -0.022 nan 4.420 nan 0.000 0.261 218 P C 0.877 177.962 177.300 -0.360 0.000 1.183 218 P CA -0.093 62.706 63.100 -0.503 0.000 0.761 218 P CB 0.276 31.593 31.700 -0.639 0.000 0.785 219 L N 4.390 125.371 121.223 -0.403 0.000 2.127 219 L HA -0.181 4.159 4.340 0.000 0.000 0.211 219 L C 1.269 177.787 176.870 -0.586 0.000 1.089 219 L CA 2.093 56.662 54.840 -0.451 0.000 0.757 219 L CB -0.751 40.977 42.059 -0.551 0.000 0.899 219 L HN 0.471 nan 8.230 nan 0.000 0.434 220 H N -0.942 118.033 119.070 -0.158 0.000 2.581 220 H HA 0.542 5.098 4.556 0.000 0.000 0.275 220 H C 0.823 176.067 175.328 -0.139 0.000 1.126 220 H CA 0.386 56.370 56.048 -0.107 0.000 1.097 220 H CB -0.112 29.603 29.762 -0.079 0.000 1.626 220 H HN 0.316 nan 8.280 nan 0.000 0.565 221 G N 0.055 108.752 108.800 -0.170 0.000 2.663 221 G HA2 -0.251 3.709 3.960 0.000 0.000 0.686 221 G HA3 -0.251 3.709 3.960 0.000 0.000 0.686 221 G C 0.073 174.821 174.900 -0.254 0.000 1.288 221 G CA -0.493 44.466 45.100 -0.236 0.000 0.836 221 G HN 0.234 nan 8.290 nan 0.000 0.584 222 Y N 0.271 120.515 120.300 -0.093 0.000 2.181 222 Y HA -0.099 4.452 4.550 0.000 0.000 0.288 222 Y C 3.403 179.335 175.900 0.054 0.000 1.146 222 Y CA 2.338 60.411 58.100 -0.045 0.000 1.164 222 Y CB -0.410 38.072 38.460 0.037 0.000 0.982 222 Y HN 0.643 nan 8.280 nan 0.000 0.515 223 T N 0.111 114.749 114.554 0.140 0.000 2.684 223 T HA -0.175 4.175 4.350 0.000 0.000 0.267 223 T C 1.989 176.750 174.700 0.102 0.000 1.036 223 T CA 1.228 63.410 62.100 0.135 0.000 1.148 223 T CB -0.174 68.668 68.868 -0.043 0.000 0.863 223 T HN 0.204 nan 8.240 nan 0.000 0.436 224 R N 0.769 121.282 120.500 0.023 0.000 2.103 224 R HA -0.049 4.291 4.340 0.000 0.000 0.242 224 R C 2.456 178.730 176.300 -0.044 0.000 1.142 224 R CA 1.277 57.373 56.100 -0.006 0.000 0.960 224 R CB -0.830 29.466 30.300 -0.007 0.000 0.858 224 R HN 0.479 nan 8.270 nan 0.000 0.439 225 M N -0.350 119.189 119.600 -0.101 0.000 2.086 225 M HA -0.155 4.325 4.480 0.000 0.000 0.261 225 M C 1.787 177.929 176.300 -0.263 0.000 1.067 225 M CA 1.767 56.938 55.300 -0.214 0.000 1.116 225 M CB -0.203 32.190 32.600 -0.345 0.000 1.348 225 M HN -0.021 nan 8.290 nan 0.000 0.407 226 F N 0.884 120.730 119.950 -0.174 0.000 2.171 226 F HA -0.244 4.283 4.527 0.000 0.000 0.300 226 F C 2.542 178.231 175.800 -0.185 0.000 1.090 226 F CA 1.722 59.588 58.000 -0.223 0.000 1.293 226 F CB -0.458 38.422 39.000 -0.199 0.000 1.013 226 F HN 0.281 nan 8.300 nan 0.000 0.486 227 Q N -0.054 119.778 119.800 0.053 0.000 2.124 227 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 227 Q C 1.904 177.882 176.000 -0.036 0.000 0.977 227 Q CA 1.463 57.271 55.803 0.008 0.000 0.850 227 Q CB -0.237 28.509 28.738 0.013 0.000 0.901 227 Q HN 0.368 nan 8.270 nan 0.000 0.429 228 N N 0.359 119.027 118.700 -0.054 0.000 2.142 228 N HA -0.125 4.615 4.740 0.000 0.000 0.186 228 N C 1.553 176.997 175.510 -0.110 0.000 1.023 228 N CA 1.038 54.078 53.050 -0.018 0.000 0.852 228 N CB -0.203 38.324 38.487 0.066 0.000 0.998 228 N HN 0.230 nan 8.380 nan 0.000 0.424 229 M N 0.147 119.502 119.600 -0.408 0.000 2.202 229 M HA -0.050 4.430 4.480 0.000 0.000 0.262 229 M C 0.707 176.799 176.300 -0.346 0.000 1.063 229 M CA 1.294 56.118 55.300 -0.793 0.000 1.097 229 M CB 0.133 32.233 32.600 -0.833 0.000 1.382 229 M HN 0.041 nan 8.290 nan 0.000 0.413 230 L N -1.036 120.085 121.223 -0.171 0.000 2.818 230 L HA 0.142 4.482 4.340 0.000 0.000 0.243 230 L C 1.901 178.740 176.870 -0.052 0.000 1.185 230 L CA -0.132 54.651 54.840 -0.095 0.000 0.988 230 L CB -0.141 41.879 42.059 -0.065 0.000 1.292 230 L HN 0.276 nan 8.230 nan 0.000 0.519 231 S N -1.905 113.772 115.700 -0.040 0.000 2.489 231 S HA -0.050 4.421 4.470 0.000 0.000 0.228 231 S C 1.190 175.793 174.600 0.004 0.000 0.995 231 S CA -0.004 58.190 58.200 -0.010 0.000 0.934 231 S CB -0.075 63.125 63.200 -0.000 0.000 0.771 231 S HN 0.327 nan 8.310 nan 0.000 0.522 232 S N 3.649 119.353 115.700 0.007 0.000 2.599 232 S HA 0.051 4.522 4.470 0.000 0.000 0.303 232 S C -0.995 173.621 174.600 0.026 0.000 1.267 232 S CA -0.647 57.565 58.200 0.020 0.000 1.055 232 S CB 0.556 63.769 63.200 0.021 0.000 0.790 232 S HN 0.336 nan 8.310 nan 0.000 0.500 233 P HA -0.055 nan 4.420 nan 0.000 0.225 233 P C 0.446 177.782 177.300 0.060 0.000 1.148 233 P CA 0.772 63.896 63.100 0.041 0.000 0.779 233 P CB -0.021 31.700 31.700 0.036 0.000 0.780 234 N N -0.223 118.516 118.700 0.064 0.000 2.398 234 N HA 0.102 4.842 4.740 0.000 0.000 0.188 234 N C 0.503 176.077 175.510 0.106 0.000 1.122 234 N CA 0.308 53.415 53.050 0.094 0.000 0.866 234 N CB 0.215 38.757 38.487 0.090 0.000 0.970 234 N HN 0.306 nan 8.380 nan 0.000 0.462 235 I N 1.549 122.159 120.570 0.067 0.000 2.382 235 I HA 0.185 4.355 4.170 0.000 0.000 0.285 235 I C -0.406 175.728 176.117 0.028 0.000 1.007 235 I CA -0.812 60.509 61.300 0.035 0.000 1.142 235 I CB 1.176 39.171 38.000 -0.009 0.000 1.289 235 I HN -0.411 nan 8.210 nan 0.000 0.453 236 K N 5.975 126.388 120.400 0.021 0.000 2.156 236 K HA 0.576 4.896 4.320 0.000 0.000 0.271 236 K C -0.626 175.927 176.600 -0.077 0.000 0.995 236 K CA -0.704 55.586 56.287 0.004 0.000 0.890 236 K CB 2.330 34.874 32.500 0.074 0.000 1.073 236 K HN 0.237 nan 8.250 nan 0.000 0.454 237 V N 3.746 123.626 119.914 -0.056 0.000 2.459 237 V HA 0.456 4.576 4.120 0.000 0.000 0.295 237 V C -0.180 175.868 176.094 -0.077 0.000 1.029 237 V CA -0.785 61.466 62.300 -0.082 0.000 0.874 237 V CB 1.546 33.329 31.823 -0.068 0.000 0.985 237 V HN 0.711 nan 8.190 nan 0.000 0.438 238 M N 5.881 125.419 119.600 -0.103 0.000 2.142 238 M HA 0.607 5.087 4.480 0.000 0.000 0.299 238 M C -1.566 174.674 176.300 -0.100 0.000 0.960 238 M CA -0.268 54.980 55.300 -0.085 0.000 0.920 238 M CB 1.299 33.847 32.600 -0.087 0.000 1.541 238 M HN 0.527 nan 8.290 nan 0.000 0.429 239 L N 3.167 124.338 121.223 -0.087 0.000 2.313 239 L HA 0.524 4.864 4.340 0.000 0.000 0.268 239 L C 0.661 177.475 176.870 -0.093 0.000 1.010 239 L CA -0.905 53.867 54.840 -0.113 0.000 0.814 239 L CB 1.521 43.511 42.059 -0.114 0.000 1.304 239 L HN 0.903 nan 8.230 nan 0.000 0.441 240 N N 0.261 118.892 118.700 -0.115 0.000 2.721 240 N HA -0.167 4.573 4.740 0.000 0.000 0.249 240 N C -1.015 174.456 175.510 -0.065 0.000 1.072 240 N CA 0.980 53.978 53.050 -0.087 0.000 0.710 240 N CB -0.631 37.818 38.487 -0.063 0.000 0.993 240 N HN 0.761 nan 8.380 nan 0.000 0.547 241 T N 0.283 114.794 114.554 -0.073 0.000 2.965 241 T HA 0.134 4.484 4.350 0.000 0.000 0.306 241 T C -0.962 173.704 174.700 -0.056 0.000 0.991 241 T CA -0.766 61.301 62.100 -0.056 0.000 1.001 241 T CB 1.549 70.387 68.868 -0.051 0.000 0.984 241 T HN 0.107 nan 8.240 nan 0.000 0.446 242 D N 1.840 122.204 120.400 -0.060 0.000 2.390 242 D HA 0.041 4.681 4.640 0.000 0.000 0.249 242 D C 1.236 177.475 176.300 -0.102 0.000 1.144 242 D CA -0.325 53.635 54.000 -0.067 0.000 0.880 242 D CB 0.772 41.501 40.800 -0.119 0.000 1.182 242 D HN 0.699 nan 8.370 nan 0.000 0.451 243 Y N 3.927 124.170 120.300 -0.096 0.000 2.193 243 Y HA -0.186 4.364 4.550 0.000 0.000 0.285 243 Y C 2.018 177.834 175.900 -0.139 0.000 1.166 243 Y CA 1.069 59.090 58.100 -0.132 0.000 1.181 243 Y CB -0.327 38.065 38.460 -0.112 0.000 0.976 243 Y HN 0.307 nan 8.280 nan 0.000 0.520 244 R N 0.814 120.674 120.500 -1.066 0.000 2.159 244 R HA -0.151 4.189 4.340 0.000 0.000 0.237 244 R C 1.881 177.965 176.300 -0.360 0.000 1.131 244 R CA 1.707 57.356 56.100 -0.751 0.000 0.982 244 R CB -0.396 29.467 30.300 -0.729 0.000 0.868 244 R HN 0.598 nan 8.270 nan 0.000 0.453 245 E N -0.229 119.809 120.200 -0.270 0.000 2.418 245 E HA -0.115 4.235 4.350 0.000 0.000 0.197 245 E C 1.033 177.514 176.600 -0.198 0.000 1.026 245 E CA 0.601 56.916 56.400 -0.142 0.000 0.862 245 E CB 0.240 29.898 29.700 -0.071 0.000 0.799 245 E HN 0.205 nan 8.360 nan 0.000 0.518 246 I N -0.963 119.410 120.570 -0.327 0.000 4.338 246 I HA 0.099 4.269 4.170 0.000 0.000 0.315 246 I C 1.808 177.567 176.117 -0.596 0.000 1.262 246 I CA 0.240 61.199 61.300 -0.568 0.000 1.298 246 I CB 0.288 38.123 38.000 -0.273 0.000 1.257 246 I HN -0.090 nan 8.210 nan 0.000 0.444 247 A N 0.171 122.834 122.820 -0.262 0.000 2.032 247 A HA -0.236 4.085 4.320 0.000 0.000 0.221 247 A C 1.824 179.391 177.584 -0.028 0.000 1.165 247 A CA 2.215 54.259 52.037 0.011 0.000 0.645 247 A CB -0.649 18.431 19.000 0.132 0.000 0.807 247 A HN 0.399 nan 8.150 nan 0.000 0.453 248 D N -0.870 119.409 120.400 -0.201 0.000 2.144 248 D HA -0.093 4.547 4.640 0.000 0.000 0.200 248 D C 1.387 177.693 176.300 0.009 0.000 0.978 248 D CA 1.808 55.764 54.000 -0.075 0.000 0.833 248 D CB -0.219 40.588 40.800 0.010 0.000 0.961 248 D HN 0.745 nan 8.370 nan 0.000 0.470 249 F N -1.623 118.376 119.950 0.082 0.000 2.784 249 F HA 0.390 4.917 4.527 0.000 0.000 0.323 249 F C 0.472 176.337 175.800 0.110 0.000 1.085 249 F CA -0.575 57.469 58.000 0.073 0.000 1.196 249 F CB 0.024 39.053 39.000 0.048 0.000 1.053 249 F HN -0.294 nan 8.300 nan 0.000 0.578 250 I N 5.066 125.678 120.570 0.069 0.000 2.304 250 I HA 0.297 4.468 4.170 0.000 0.000 0.291 250 I C -2.248 174.058 176.117 0.315 0.000 1.018 250 I CA -2.064 59.384 61.300 0.247 0.000 1.260 250 I CB 0.957 39.100 38.000 0.238 0.000 1.390 250 I HN -0.193 nan 8.210 nan 0.000 0.475 251 P HA 0.216 nan 4.420 nan 0.000 0.271 251 P C -1.063 176.425 177.300 0.313 0.000 1.220 251 P CA 0.171 63.358 63.100 0.144 0.000 0.768 251 P CB 0.354 32.094 31.700 0.066 0.000 0.848 252 F N -0.023 119.989 119.950 0.104 0.000 2.628 252 F HA 0.426 4.954 4.527 0.000 0.000 0.309 252 F C 0.692 176.518 175.800 0.044 0.000 1.108 252 F CA -0.949 57.122 58.000 0.119 0.000 0.971 252 F CB 0.866 39.942 39.000 0.126 0.000 1.279 252 F HN -0.002 nan 8.300 nan 0.000 0.441 253 Q N 0.808 120.677 119.800 0.116 0.000 2.204 253 Q HA 0.070 4.410 4.340 0.000 0.000 0.198 253 Q C -0.382 175.658 176.000 0.067 0.000 0.946 253 Q CA 1.269 57.069 55.803 -0.006 0.000 0.859 253 Q CB 0.034 28.752 28.738 -0.034 0.000 0.946 253 Q HN 0.870 nan 8.270 nan 0.000 0.474 254 H N -1.041 118.043 119.070 0.025 0.000 2.865 254 H HA 0.501 5.057 4.556 0.000 0.000 0.362 254 H C -1.392 174.088 175.328 0.255 0.000 1.114 254 H CA -0.420 55.660 56.048 0.053 0.000 1.208 254 H CB 1.454 31.077 29.762 -0.232 0.000 1.727 254 H HN -0.045 nan 8.280 nan 0.000 0.534 255 M N 6.045 125.611 119.600 -0.057 0.000 2.268 255 M HA 0.465 4.946 4.480 0.000 0.000 0.344 255 M C -1.489 174.786 176.300 -0.042 0.000 1.106 255 M CA -0.684 54.590 55.300 -0.043 0.000 1.010 255 M CB 0.708 33.258 32.600 -0.083 0.000 1.649 255 M HN 0.594 nan 8.290 nan 0.000 0.443 256 I N 4.944 125.527 120.570 0.023 0.000 2.339 256 I HA 0.275 4.445 4.170 0.000 0.000 0.290 256 I C -1.488 174.518 176.117 -0.185 0.000 0.994 256 I CA -0.681 60.602 61.300 -0.028 0.000 1.191 256 I CB 1.380 39.409 38.000 0.048 0.000 1.343 256 I HN 0.618 nan 8.210 nan 0.000 0.458 257 Y N 5.342 125.344 120.300 -0.497 0.000 2.335 257 Y HA 0.341 4.891 4.550 0.000 0.000 0.338 257 Y C 0.870 176.536 175.900 -0.389 0.000 0.977 257 Y CA -0.585 57.149 58.100 -0.610 0.000 1.114 257 Y CB 1.686 39.479 38.460 -1.113 0.000 1.182 257 Y HN 0.633 nan 8.280 nan 0.000 0.463 258 T N 1.066 115.114 114.554 -0.843 0.000 3.091 258 T HA 0.398 4.748 4.350 0.000 0.000 0.277 258 T C 0.693 175.001 174.700 -0.654 0.000 0.996 258 T CA 0.148 61.927 62.100 -0.536 0.000 0.897 258 T CB -0.340 68.361 68.868 -0.279 0.000 1.109 258 T HN 0.746 nan 8.240 nan 0.000 0.534 259 G N 2.343 110.338 108.800 -1.341 0.000 2.563 259 G HA2 0.574 4.534 3.960 0.000 0.000 0.283 259 G HA3 0.574 4.534 3.960 0.000 0.000 0.283 259 G C -2.812 171.968 174.900 -0.201 0.000 1.309 259 G CA -1.673 42.981 45.100 -0.743 0.000 1.022 259 G HN 0.186 nan 8.290 nan 0.000 0.501 260 P HA 0.107 nan 4.420 nan 0.000 0.268 260 P C 1.238 178.812 177.300 0.458 0.000 1.205 260 P CA -0.309 62.892 63.100 0.167 0.000 0.771 260 P CB 1.039 32.711 31.700 -0.047 0.000 0.858 261 V N 1.039 121.245 119.914 0.487 0.000 2.379 261 V HA -0.207 3.913 4.120 0.000 0.000 0.245 261 V C 1.849 178.036 176.094 0.154 0.000 1.044 261 V CA 2.105 64.667 62.300 0.436 0.000 1.036 261 V CB -1.589 30.498 31.823 0.439 0.000 0.664 261 V HN 0.461 nan 8.190 nan 0.000 0.453 262 D N 2.722 123.054 120.400 -0.115 0.000 2.104 262 D HA -0.209 4.431 4.640 0.000 0.000 0.194 262 D C 2.065 178.105 176.300 -0.433 0.000 0.994 262 D CA 2.126 55.872 54.000 -0.423 0.000 0.830 262 D CB -0.739 40.009 40.800 -0.087 0.000 0.959 262 D HN 0.520 nan 8.370 nan 0.000 0.452 263 A N 0.109 122.690 122.820 -0.399 0.000 1.908 263 A HA -0.119 4.201 4.320 0.000 0.000 0.218 263 A C 2.207 179.547 177.584 -0.407 0.000 1.181 263 A CA 1.481 53.082 52.037 -0.726 0.000 0.627 263 A CB -1.363 17.584 19.000 -0.088 0.000 0.818 263 A HN 0.295 nan 8.150 nan 0.000 0.445 264 F N -0.815 118.933 119.950 -0.338 0.000 2.171 264 F HA -0.075 4.452 4.527 0.000 0.000 0.300 264 F C 1.034 176.483 175.800 -0.584 0.000 1.090 264 F CA 1.270 58.938 58.000 -0.553 0.000 1.293 264 F CB -0.073 38.351 39.000 -0.960 0.000 1.013 264 F HN 0.180 nan 8.300 nan 0.000 0.486 265 F N 0.934 120.895 119.950 0.018 0.000 2.819 265 F HA 0.173 4.700 4.527 0.000 0.000 0.294 265 F C 0.388 176.113 175.800 -0.125 0.000 1.166 265 F CA -0.424 57.577 58.000 0.003 0.000 1.374 265 F CB -0.587 38.536 39.000 0.204 0.000 0.956 265 F HN -0.115 nan 8.300 nan 0.000 0.509 266 D N 0.200 120.468 120.400 -0.219 0.000 2.737 266 D HA -0.291 4.350 4.640 0.000 0.000 0.233 266 D C 0.180 176.461 176.300 -0.031 0.000 1.155 266 D CA 0.917 54.777 54.000 -0.233 0.000 0.667 266 D CB -1.529 39.229 40.800 -0.070 0.000 1.060 266 D HN 0.422 nan 8.370 nan 0.000 0.427 267 F N -3.163 116.908 119.950 0.203 0.000 3.100 267 F HA -0.381 4.146 4.527 0.000 0.000 0.283 267 F C 2.377 178.294 175.800 0.194 0.000 0.900 267 F CA 0.566 58.711 58.000 0.242 0.000 1.010 267 F CB -2.820 36.276 39.000 0.159 0.000 1.029 267 F HN 0.449 nan 8.300 nan 0.000 0.637 268 C N -2.426 116.976 119.300 0.170 0.000 2.409 268 C HA -0.135 4.325 4.460 0.000 0.000 0.288 268 C C 1.705 176.562 174.990 -0.222 0.000 1.395 268 C CA 0.882 59.823 59.018 -0.128 0.000 1.792 268 C CB -1.358 26.156 27.740 -0.377 0.000 1.847 268 C HN 0.508 nan 8.230 nan 0.000 0.534 269 Y N 2.215 122.568 120.300 0.088 0.000 2.720 269 Y HA 0.521 5.071 4.550 0.000 0.000 0.268 269 Y C 1.348 177.333 175.900 0.141 0.000 1.142 269 Y CA -0.279 57.801 58.100 -0.032 0.000 1.193 269 Y CB -0.503 37.730 38.460 -0.378 0.000 1.176 269 Y HN 0.656 nan 8.280 nan 0.000 0.542 270 G N 0.717 109.721 108.800 0.341 0.000 2.756 270 G HA2 -0.217 3.743 3.960 0.000 0.000 0.678 270 G HA3 -0.217 3.743 3.960 0.000 0.000 0.678 270 G C -0.792 174.337 174.900 0.383 0.000 1.349 270 G CA -1.090 44.184 45.100 0.290 0.000 0.847 270 G HN 0.203 nan 8.290 nan 0.000 0.548 271 K N -0.150 120.391 120.400 0.234 0.000 2.379 271 K HA 0.479 4.799 4.320 0.000 0.000 0.284 271 K C 0.701 177.442 176.600 0.235 0.000 1.044 271 K CA -0.427 55.992 56.287 0.219 0.000 0.974 271 K CB 0.547 33.079 32.500 0.053 0.000 0.962 271 K HN 0.579 nan 8.250 nan 0.000 0.474 272 L N 7.751 129.121 121.223 0.245 0.000 2.313 272 L HA 0.291 4.631 4.340 0.000 0.000 0.282 272 L C -2.050 174.862 176.870 0.068 0.000 1.092 272 L CA -2.044 52.843 54.840 0.079 0.000 0.831 272 L CB 1.040 43.041 42.059 -0.096 0.000 1.159 272 L HN 0.610 nan 8.230 nan 0.000 0.442 273 P HA 0.087 nan 4.420 nan 0.000 0.266 273 P C -1.548 175.796 177.300 0.074 0.000 1.215 273 P CA 0.534 63.707 63.100 0.121 0.000 0.763 273 P CB 0.154 31.938 31.700 0.139 0.000 0.806 274 Y N 2.027 122.473 120.300 0.243 0.000 2.446 274 Y HA 0.545 5.095 4.550 0.000 0.000 0.345 274 Y C 0.863 176.866 175.900 0.173 0.000 0.984 274 Y CA -1.025 57.208 58.100 0.222 0.000 1.058 274 Y CB 1.940 40.505 38.460 0.175 0.000 1.220 274 Y HN 0.150 nan 8.280 nan 0.000 0.455 275 R N 1.162 121.878 120.500 0.361 0.000 2.457 275 R HA 0.616 4.956 4.340 0.000 0.000 0.284 275 R C -0.501 175.949 176.300 0.250 0.000 1.024 275 R CA -0.182 56.060 56.100 0.236 0.000 1.025 275 R CB 1.445 31.807 30.300 0.103 0.000 1.063 275 R HN 0.681 nan 8.270 nan 0.000 0.493 276 S N 2.202 117.994 115.700 0.154 0.000 2.806 276 S HA 0.787 5.257 4.470 0.000 0.000 0.315 276 S C -1.394 173.335 174.600 0.215 0.000 1.127 276 S CA -0.726 57.561 58.200 0.145 0.000 0.918 276 S CB 0.664 63.866 63.200 0.003 0.000 1.240 276 S HN 0.408 nan 8.310 nan 0.000 0.552 277 L N 1.310 122.697 121.223 0.273 0.000 2.466 277 L HA 0.549 4.889 4.340 0.000 0.000 0.258 277 L C -0.810 175.971 176.870 -0.148 0.000 0.973 277 L CA -0.557 54.290 54.840 0.013 0.000 0.826 277 L CB 2.197 44.160 42.059 -0.161 0.000 1.372 277 L HN 0.693 nan 8.230 nan 0.000 0.409 278 E N 1.630 121.709 120.200 -0.202 0.000 2.191 278 E HA 0.560 4.910 4.350 0.000 0.000 0.274 278 E C -1.775 174.670 176.600 -0.259 0.000 0.948 278 E CA -0.578 55.731 56.400 -0.153 0.000 0.802 278 E CB 1.418 31.096 29.700 -0.036 0.000 1.137 278 E HN 0.336 nan 8.360 nan 0.000 0.397 279 F N 2.671 122.743 119.950 0.203 0.000 2.458 279 F HA 0.459 4.986 4.527 0.000 0.000 0.336 279 F C 0.539 176.383 175.800 0.073 0.000 1.114 279 F CA -0.918 57.155 58.000 0.122 0.000 0.987 279 F CB 1.499 40.530 39.000 0.052 0.000 1.130 279 F HN 0.204 nan 8.300 nan 0.000 0.458 280 R N 3.462 124.104 120.500 0.237 0.000 2.337 280 R HA 0.292 4.632 4.340 0.000 0.000 0.319 280 R C -1.016 175.358 176.300 0.124 0.000 0.954 280 R CA -0.555 55.656 56.100 0.185 0.000 0.840 280 R CB 0.541 30.967 30.300 0.209 0.000 1.164 280 R HN 0.747 nan 8.270 nan 0.000 0.472 281 H N 2.641 121.835 119.070 0.206 0.000 2.467 281 H HA 0.346 4.903 4.556 0.000 0.000 0.331 281 H C -0.346 175.060 175.328 0.130 0.000 1.120 281 H CA -0.188 55.966 56.048 0.176 0.000 1.270 281 H CB 1.820 31.651 29.762 0.116 0.000 1.466 281 H HN 0.525 nan 8.280 nan 0.000 0.504 282 E N 1.202 121.551 120.200 0.249 0.000 2.366 282 E HA 0.305 4.655 4.350 0.000 0.000 0.278 282 E C -1.015 175.631 176.600 0.076 0.000 0.923 282 E CA -0.863 55.606 56.400 0.115 0.000 0.761 282 E CB 2.548 32.333 29.700 0.142 0.000 1.231 282 E HN 0.408 nan 8.360 nan 0.000 0.443 283 T N 1.433 115.939 114.554 -0.080 0.000 2.824 283 T HA 0.458 4.808 4.350 0.000 0.000 0.282 283 T C -1.104 173.467 174.700 -0.215 0.000 0.993 283 T CA -0.666 61.398 62.100 -0.059 0.000 0.967 283 T CB 0.687 69.526 68.868 -0.048 0.000 0.960 283 T HN 0.325 nan 8.240 nan 0.000 0.441 284 H N 0.594 119.669 119.070 0.009 0.000 2.621 284 H HA 0.407 4.963 4.556 0.000 0.000 0.360 284 H C -0.486 174.846 175.328 0.007 0.000 1.163 284 H CA -0.776 55.281 56.048 0.015 0.000 1.194 284 H CB 1.227 31.002 29.762 0.021 0.000 1.649 284 H HN 0.433 nan 8.280 nan 0.000 0.532 285 D N 1.211 121.690 120.400 0.131 0.000 2.845 285 D HA 0.156 4.796 4.640 0.000 0.000 0.235 285 D C -0.718 175.637 176.300 0.092 0.000 1.158 285 D CA 0.238 54.291 54.000 0.088 0.000 0.990 285 D CB -0.145 40.701 40.800 0.077 0.000 1.094 285 D HN 0.453 nan 8.370 nan 0.000 0.486 286 T N -0.537 114.069 114.554 0.087 0.000 2.885 286 T HA 0.152 4.502 4.350 0.000 0.000 0.322 286 T C 0.642 175.372 174.700 0.050 0.000 1.387 286 T CA -0.521 61.618 62.100 0.065 0.000 1.041 286 T CB 1.330 70.230 68.868 0.053 0.000 1.287 286 T HN 0.048 nan 8.240 nan 0.000 0.491 287 E N 0.785 121.009 120.200 0.041 0.000 2.208 287 E HA 0.016 4.366 4.350 0.000 0.000 0.193 287 E C 0.546 177.141 176.600 -0.008 0.000 0.988 287 E CA 0.498 56.916 56.400 0.029 0.000 0.828 287 E CB 0.337 30.056 29.700 0.032 0.000 0.763 287 E HN 0.480 nan 8.360 nan 0.000 0.478 288 Q N 0.228 120.023 119.800 -0.008 0.000 2.281 288 Q HA 0.164 4.505 4.340 0.000 0.000 0.263 288 Q C -0.631 175.367 176.000 -0.003 0.000 0.989 288 Q CA -0.232 55.559 55.803 -0.021 0.000 0.852 288 Q CB 1.665 30.388 28.738 -0.025 0.000 1.337 288 Q HN 0.091 nan 8.270 nan 0.000 0.418 289 L N 3.920 125.138 121.223 -0.008 0.000 2.388 289 L HA 0.425 4.765 4.340 0.000 0.000 0.209 289 L C -0.618 176.240 176.870 -0.021 0.000 1.061 289 L CA 0.818 55.624 54.840 -0.058 0.000 0.834 289 L CB 0.716 42.675 42.059 -0.167 0.000 1.029 289 L HN 0.610 nan 8.230 nan 0.000 0.473 290 L N -0.220 121.031 121.223 0.047 0.000 2.322 290 L HA 0.406 4.746 4.340 0.000 0.000 0.269 290 L C -1.616 175.278 176.870 0.040 0.000 1.012 290 L CA -1.776 53.064 54.840 0.001 0.000 0.815 290 L CB 0.974 42.975 42.059 -0.096 0.000 1.295 290 L HN -0.225 nan 8.230 nan 0.000 0.438 291 P HA -0.004 nan 4.420 nan 0.000 0.225 291 P C 0.072 177.264 177.300 -0.180 0.000 1.156 291 P CA 0.769 63.840 63.100 -0.049 0.000 0.787 291 P CB 0.224 31.886 31.700 -0.062 0.000 0.802 292 T N -6.184 108.118 114.554 -0.419 0.000 2.696 292 T HA 0.542 4.892 4.350 0.000 0.000 0.291 292 T C 1.381 175.565 174.700 -0.860 0.000 1.095 292 T CA -0.197 61.535 62.100 -0.613 0.000 1.026 292 T CB 0.854 69.504 68.868 -0.363 0.000 1.390 292 T HN -0.101 nan 8.240 nan 0.000 0.513 293 G N 0.213 108.703 108.800 -0.516 0.000 2.422 293 G HA2 0.258 4.218 3.960 0.000 0.000 0.218 293 G HA3 0.258 4.218 3.960 0.000 0.000 0.218 293 G C 0.296 175.121 174.900 -0.125 0.000 1.146 293 G CA 0.913 45.929 45.100 -0.141 0.000 0.769 293 G HN 0.907 nan 8.290 nan 0.000 0.547 294 T N -0.787 113.634 114.554 -0.222 0.000 2.952 294 T HA 0.500 4.850 4.350 0.000 0.000 0.305 294 T C -1.230 173.329 174.700 -0.236 0.000 1.064 294 T CA -0.483 61.508 62.100 -0.183 0.000 1.008 294 T CB 2.839 71.665 68.868 -0.070 0.000 1.078 294 T HN -0.061 nan 8.240 nan 0.000 0.459 295 V N 3.753 123.555 119.914 -0.186 0.000 2.409 295 V HA 0.475 4.595 4.120 0.000 0.000 0.291 295 V C -0.370 175.618 176.094 -0.177 0.000 1.020 295 V CA -1.032 61.134 62.300 -0.222 0.000 0.848 295 V CB 1.640 33.330 31.823 -0.222 0.000 0.990 295 V HN 0.746 nan 8.190 nan 0.000 0.430 296 N N 2.798 121.376 118.700 -0.203 0.000 2.509 296 N HA 0.485 5.225 4.740 0.000 0.000 0.287 296 N C -1.106 174.284 175.510 -0.201 0.000 1.121 296 N CA -0.245 52.798 53.050 -0.012 0.000 0.977 296 N CB 0.982 39.501 38.487 0.053 0.000 1.167 296 N HN 0.587 nan 8.380 nan 0.000 0.476 297 Y N 0.803 121.205 120.300 0.170 0.000 2.787 297 Y HA 0.307 4.857 4.550 0.000 0.000 0.352 297 Y C -1.569 174.369 175.900 0.064 0.000 1.027 297 Y CA -1.604 56.561 58.100 0.108 0.000 1.219 297 Y CB 1.646 40.194 38.460 0.145 0.000 1.110 297 Y HN 0.521 nan 8.280 nan 0.000 0.614 298 P HA -0.064 nan 4.420 nan 0.000 0.221 298 P C 0.395 177.707 177.300 0.020 0.000 1.150 298 P CA 1.455 64.639 63.100 0.140 0.000 0.800 298 P CB 0.538 32.250 31.700 0.020 0.000 0.787 299 N N -1.504 117.192 118.700 -0.007 0.000 2.143 299 N HA 0.107 4.847 4.740 0.000 0.000 0.222 299 N C -0.315 175.142 175.510 -0.089 0.000 1.264 299 N CA 0.188 53.202 53.050 -0.059 0.000 0.897 299 N CB 1.130 39.562 38.487 -0.092 0.000 1.092 299 N HN 0.173 nan 8.380 nan 0.000 0.516 300 D N 0.084 120.446 120.400 -0.064 0.000 2.581 300 D HA 0.348 4.989 4.640 0.000 0.000 0.232 300 D C -0.501 175.614 176.300 -0.308 0.000 1.143 300 D CA -0.190 53.649 54.000 -0.269 0.000 0.881 300 D CB 2.113 42.711 40.800 -0.336 0.000 1.500 300 D HN -0.183 nan 8.370 nan 0.000 0.458 301 Y N -0.610 119.473 120.300 -0.361 0.000 2.503 301 Y HA -0.273 4.277 4.550 0.000 0.000 0.022 301 Y C 1.023 176.605 175.900 -0.529 0.000 1.698 301 Y CA 0.181 57.908 58.100 -0.621 0.000 1.422 301 Y CB -1.052 36.581 38.460 -1.377 0.000 2.067 301 Y HN 0.514 nan 8.280 nan 0.000 0.253 302 A N 0.224 122.848 122.820 -0.327 0.000 2.030 302 A HA 0.140 4.460 4.320 0.000 0.000 0.215 302 A C 0.249 177.651 177.584 -0.304 0.000 1.164 302 A CA 1.018 52.949 52.037 -0.176 0.000 0.697 302 A CB -0.573 18.477 19.000 0.083 0.000 0.827 302 A HN 0.638 nan 8.150 nan 0.000 0.457 303 Y N -0.881 119.177 120.300 -0.403 0.000 2.336 303 Y HA 0.422 4.972 4.550 0.000 0.000 0.331 303 Y C 1.541 177.270 175.900 -0.285 0.000 1.211 303 Y CA -0.239 57.504 58.100 -0.596 0.000 1.346 303 Y CB -0.200 37.825 38.460 -0.725 0.000 1.271 303 Y HN 0.067 nan 8.280 nan 0.000 0.538 304 T N -0.641 113.837 114.554 -0.127 0.000 2.904 304 T HA 0.082 4.432 4.350 0.000 0.000 0.267 304 T C 0.299 175.078 174.700 0.132 0.000 1.059 304 T CA 0.818 62.797 62.100 -0.201 0.000 1.137 304 T CB -0.256 68.356 68.868 -0.428 0.000 0.879 304 T HN 0.898 nan 8.240 nan 0.000 0.467 305 R N -0.884 119.747 120.500 0.218 0.000 2.753 305 R HA 0.559 4.899 4.340 0.000 0.000 0.272 305 R C -2.477 173.817 176.300 -0.011 0.000 1.034 305 R CA -1.052 55.188 56.100 0.234 0.000 0.869 305 R CB 1.039 31.433 30.300 0.158 0.000 1.264 305 R HN 0.026 nan 8.270 nan 0.000 0.481 306 V N 0.844 120.685 119.914 -0.121 0.000 2.604 306 V HA 0.659 4.779 4.120 0.000 0.000 0.305 306 V C -0.403 175.483 176.094 -0.346 0.000 1.043 306 V CA -0.783 61.219 62.300 -0.496 0.000 0.888 306 V CB 1.880 33.261 31.823 -0.737 0.000 0.995 306 V HN 0.835 nan 8.190 nan 0.000 0.429 307 S N 2.466 117.917 115.700 -0.415 0.000 2.542 307 S HA 0.629 5.099 4.470 0.000 0.000 0.293 307 S C -0.765 173.507 174.600 -0.547 0.000 1.089 307 S CA -0.728 57.235 58.200 -0.395 0.000 0.961 307 S CB 2.154 65.137 63.200 -0.363 0.000 1.062 307 S HN 0.886 nan 8.310 nan 0.000 0.483 308 E N 1.276 121.236 120.200 -0.400 0.000 2.185 308 E HA 0.368 4.718 4.350 0.000 0.000 0.261 308 E C -0.546 175.907 176.600 -0.246 0.000 0.879 308 E CA -0.509 55.722 56.400 -0.282 0.000 0.756 308 E CB 0.507 30.223 29.700 0.027 0.000 1.152 308 E HN 0.575 nan 8.360 nan 0.000 0.416 309 F N 3.398 123.308 119.950 -0.067 0.000 2.234 309 F HA -0.060 4.467 4.527 0.000 0.000 0.299 309 F C 1.956 177.673 175.800 -0.138 0.000 1.087 309 F CA 0.723 58.630 58.000 -0.156 0.000 1.340 309 F CB 0.020 38.861 39.000 -0.264 0.000 1.031 309 F HN 0.442 nan 8.300 nan 0.000 0.500 310 K N -0.422 119.983 120.400 0.009 0.000 2.152 310 K HA -0.191 4.129 4.320 0.000 0.000 0.206 310 K C 1.798 178.321 176.600 -0.129 0.000 1.048 310 K CA 1.365 57.605 56.287 -0.078 0.000 0.933 310 K CB -0.430 32.000 32.500 -0.117 0.000 0.721 310 K HN 0.389 nan 8.250 nan 0.000 0.447 311 H N 0.405 119.437 119.070 -0.063 0.000 2.352 311 H HA -0.098 4.458 4.556 0.000 0.000 0.299 311 H C 2.172 177.324 175.328 -0.293 0.000 1.097 311 H CA 1.464 57.475 56.048 -0.062 0.000 1.311 311 H CB -0.065 29.716 29.762 0.031 0.000 1.377 311 H HN 0.196 nan 8.280 nan 0.000 0.504 312 I N 0.506 120.960 120.570 -0.192 0.000 2.400 312 I HA -0.159 4.011 4.170 0.000 0.000 0.248 312 I C 2.608 178.475 176.117 -0.417 0.000 1.109 312 I CA 1.504 62.482 61.300 -0.536 0.000 1.425 312 I CB -0.073 37.893 38.000 -0.056 0.000 1.094 312 I HN 0.284 nan 8.210 nan 0.000 0.425 313 T N -2.579 111.873 114.554 -0.169 0.000 3.044 313 T HA 0.215 4.566 4.350 0.000 0.000 0.255 313 T C 1.700 176.346 174.700 -0.091 0.000 1.073 313 T CA 0.635 62.675 62.100 -0.101 0.000 1.125 313 T CB 0.425 69.252 68.868 -0.068 0.000 0.908 313 T HN 0.471 nan 8.240 nan 0.000 0.480 314 G N 1.203 109.946 108.800 -0.096 0.000 2.179 314 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 314 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 314 G C -0.065 174.825 174.900 -0.017 0.000 0.977 314 G CA 0.310 45.382 45.100 -0.047 0.000 0.641 314 G HN 0.933 nan 8.290 nan 0.000 0.533 315 Q N 0.401 120.192 119.800 -0.014 0.000 2.330 315 Q HA 0.296 4.636 4.340 0.000 0.000 0.279 315 Q C 0.694 176.724 176.000 0.050 0.000 1.024 315 Q CA -0.178 55.644 55.803 0.032 0.000 0.900 315 Q CB 0.352 29.112 28.738 0.038 0.000 1.221 315 Q HN 0.553 nan 8.270 nan 0.000 0.396 316 R N 3.311 123.860 120.500 0.081 0.000 2.349 316 R HA 0.279 4.619 4.340 0.000 0.000 0.299 316 R C -1.228 175.174 176.300 0.171 0.000 1.027 316 R CA -0.294 55.859 56.100 0.089 0.000 0.958 316 R CB 0.811 31.148 30.300 0.060 0.000 1.047 316 R HN 0.760 nan 8.270 nan 0.000 0.468 317 H N 2.457 121.553 119.070 0.044 0.000 3.060 317 H HA 0.046 4.602 4.556 0.000 0.000 0.330 317 H C 0.078 175.447 175.328 0.069 0.000 1.305 317 H CA -0.453 55.638 56.048 0.071 0.000 1.209 317 H CB 1.150 30.919 29.762 0.012 0.000 1.913 317 H HN 0.942 nan 8.280 nan 0.000 0.534 318 H N 1.326 120.342 119.070 -0.091 0.000 2.502 318 H HA 0.147 4.703 4.556 0.000 0.000 0.283 318 H C -0.187 175.234 175.328 0.155 0.000 1.015 318 H CA 0.241 56.296 56.048 0.011 0.000 1.298 318 H CB 0.907 30.627 29.762 -0.071 0.000 1.411 318 H HN 0.425 nan 8.280 nan 0.000 0.556 319 Q N 0.138 119.922 119.800 -0.026 0.000 2.712 319 Q HA 0.509 4.849 4.340 0.000 0.000 0.267 319 Q C -0.701 175.310 176.000 0.017 0.000 1.062 319 Q CA -0.888 54.908 55.803 -0.012 0.000 0.888 319 Q CB 2.358 31.019 28.738 -0.128 0.000 1.374 319 Q HN 0.151 nan 8.270 nan 0.000 0.498 320 T N -0.326 114.218 114.554 -0.016 0.000 2.956 320 T HA 0.473 4.823 4.350 0.000 0.000 0.312 320 T C -1.479 173.235 174.700 0.022 0.000 1.151 320 T CA -0.404 61.682 62.100 -0.024 0.000 1.024 320 T CB 1.552 70.422 68.868 0.003 0.000 1.140 320 T HN 0.437 nan 8.240 nan 0.000 0.473 321 S N 1.782 117.497 115.700 0.025 0.000 2.503 321 S HA 0.846 5.316 4.470 0.000 0.000 0.301 321 S C -0.357 174.330 174.600 0.146 0.000 1.087 321 S CA -0.641 57.627 58.200 0.114 0.000 1.042 321 S CB 1.478 64.738 63.200 0.099 0.000 1.043 321 S HN 0.941 nan 8.310 nan 0.000 0.489 322 V N 0.146 120.144 119.914 0.139 0.000 3.160 322 V HA 0.978 5.098 4.120 0.000 0.000 0.310 322 V C -0.968 175.121 176.094 -0.010 0.000 1.181 322 V CA -0.778 61.480 62.300 -0.070 0.000 1.047 322 V CB 1.756 33.492 31.823 -0.145 0.000 1.068 322 V HN 0.643 nan 8.190 nan 0.000 0.441 323 V N 1.610 121.375 119.914 -0.248 0.000 2.808 323 V HA 0.676 4.796 4.120 0.000 0.000 0.308 323 V C -1.775 174.138 176.094 -0.303 0.000 1.099 323 V CA -0.399 61.797 62.300 -0.174 0.000 0.920 323 V CB 2.084 33.831 31.823 -0.126 0.000 1.014 323 V HN 0.906 nan 8.190 nan 0.000 0.425 324 Y N 3.725 123.944 120.300 -0.135 0.000 2.342 324 Y HA 0.589 5.139 4.550 0.000 0.000 0.334 324 Y C 0.503 176.373 175.900 -0.050 0.000 1.067 324 Y CA -0.338 57.627 58.100 -0.226 0.000 1.128 324 Y CB 1.708 39.937 38.460 -0.386 0.000 1.200 324 Y HN 0.574 nan 8.280 nan 0.000 0.464 325 E N 2.782 122.975 120.200 -0.012 0.000 2.133 325 E HA 0.297 4.647 4.350 0.000 0.000 0.274 325 E C -1.703 174.810 176.600 -0.146 0.000 0.930 325 E CA -0.764 55.636 56.400 0.001 0.000 0.770 325 E CB 1.138 30.858 29.700 0.034 0.000 1.104 325 E HN 0.485 nan 8.360 nan 0.000 0.403 326 Y N 2.939 123.201 120.300 -0.063 0.000 2.334 326 Y HA 0.286 4.836 4.550 0.000 0.000 0.336 326 Y C -2.218 173.621 175.900 -0.103 0.000 0.960 326 Y CA -2.953 55.120 58.100 -0.046 0.000 1.164 326 Y CB 1.145 39.594 38.460 -0.018 0.000 1.155 326 Y HN 0.391 nan 8.280 nan 0.000 0.478 327 P HA 0.168 nan 4.420 nan 0.000 0.268 327 P C -0.481 176.821 177.300 0.003 0.000 1.204 327 P CA -0.088 62.976 63.100 -0.060 0.000 0.768 327 P CB 0.702 32.317 31.700 -0.142 0.000 0.842 328 R N 2.254 122.759 120.500 0.010 0.000 2.628 328 R HA 0.496 4.836 4.340 0.000 0.000 0.288 328 R C 0.750 177.072 176.300 0.036 0.000 0.980 328 R CA -0.870 55.247 56.100 0.028 0.000 0.891 328 R CB 1.851 32.172 30.300 0.035 0.000 1.188 328 R HN 0.394 nan 8.270 nan 0.000 0.450 329 A N 1.802 124.646 122.820 0.040 0.000 1.968 329 A HA -0.056 4.264 4.320 0.000 0.000 0.217 329 A C 0.547 178.165 177.584 0.056 0.000 1.169 329 A CA 1.181 53.252 52.037 0.056 0.000 0.638 329 A CB 0.091 19.123 19.000 0.053 0.000 0.812 329 A HN 0.587 nan 8.150 nan 0.000 0.446 330 E N -1.943 118.280 120.200 0.038 0.000 2.195 330 E HA 0.543 4.893 4.350 0.000 0.000 0.271 330 E C 0.079 176.689 176.600 0.017 0.000 0.923 330 E CA 0.667 57.084 56.400 0.028 0.000 0.790 330 E CB 1.583 31.295 29.700 0.020 0.000 1.155 330 E HN 0.722 nan 8.360 nan 0.000 0.402 331 G N 2.548 111.348 108.800 0.000 0.000 2.347 331 G HA2 -0.063 3.897 3.960 0.000 0.000 0.341 331 G HA3 -0.063 3.897 3.960 0.000 0.000 0.341 331 G C -1.372 173.465 174.900 -0.104 0.000 1.287 331 G CA -0.888 44.198 45.100 -0.024 0.000 0.984 331 G HN 0.536 nan 8.290 nan 0.000 0.526 332 D N 2.129 122.426 120.400 -0.172 0.000 2.571 332 D HA 0.327 4.967 4.640 0.000 0.000 0.231 332 D C -1.708 174.218 176.300 -0.624 0.000 1.133 332 D CA 0.279 54.071 54.000 -0.346 0.000 0.862 332 D CB 0.744 41.339 40.800 -0.343 0.000 1.179 332 D HN 0.284 nan 8.370 nan 0.000 0.474 333 P HA 0.083 nan 4.420 nan 0.000 0.282 333 P C -0.432 176.651 177.300 -0.361 0.000 1.262 333 P CA 0.119 62.995 63.100 -0.373 0.000 0.773 333 P CB 0.379 31.727 31.700 -0.587 0.000 0.879 334 Y N 1.267 121.608 120.300 0.068 0.000 2.585 334 Y HA 0.207 4.757 4.550 0.000 0.000 0.272 334 Y C 0.321 176.084 175.900 -0.229 0.000 1.119 334 Y CA -0.243 57.816 58.100 -0.068 0.000 1.255 334 Y CB 0.556 38.997 38.460 -0.031 0.000 1.284 334 Y HN 0.204 nan 8.280 nan 0.000 0.499 335 Y N 0.826 121.250 120.300 0.207 0.000 2.391 335 Y HA 0.444 4.994 4.550 0.000 0.000 0.341 335 Y C -2.697 173.283 175.900 0.133 0.000 0.965 335 Y CA -3.526 54.607 58.100 0.055 0.000 1.067 335 Y CB 1.192 39.590 38.460 -0.104 0.000 1.199 335 Y HN -0.209 nan 8.280 nan 0.000 0.450 336 P HA 0.135 nan 4.420 nan 0.000 0.272 336 P C -0.807 176.413 177.300 -0.134 0.000 1.230 336 P CA -0.318 62.494 63.100 -0.480 0.000 0.788 336 P CB 0.843 31.838 31.700 -1.175 0.000 0.949 337 V N 3.225 123.084 119.914 -0.092 0.000 2.239 337 V HA 0.221 4.341 4.120 0.000 0.000 0.267 337 V C -2.210 173.858 176.094 -0.043 0.000 1.056 337 V CA -1.821 60.507 62.300 0.046 0.000 0.830 337 V CB 0.614 32.543 31.823 0.176 0.000 1.090 337 V HN 0.489 nan 8.190 nan 0.000 0.459 338 P HA 0.186 nan 4.420 nan 0.000 0.263 338 P C -0.198 177.058 177.300 -0.072 0.000 1.247 338 P CA 0.341 63.395 63.100 -0.078 0.000 0.876 338 P CB 0.013 31.667 31.700 -0.077 0.000 0.928 339 R N 2.782 123.286 120.500 0.007 0.000 2.664 339 R HA 0.414 4.754 4.340 0.000 0.000 0.266 339 R C -2.853 173.469 176.300 0.037 0.000 1.046 339 R CA -1.923 54.178 56.100 0.001 0.000 0.885 339 R CB 0.102 30.394 30.300 -0.013 0.000 1.254 339 R HN -0.103 nan 8.270 nan 0.000 0.465 340 P HA -0.251 nan 4.420 nan 0.000 0.216 340 P C 0.435 177.754 177.300 0.033 0.000 1.157 340 P CA 1.800 64.916 63.100 0.026 0.000 0.880 340 P CB 0.134 31.841 31.700 0.011 0.000 0.791 341 E N -0.786 119.432 120.200 0.031 0.000 2.070 341 E HA -0.212 4.138 4.350 0.000 0.000 0.197 341 E C 1.707 178.335 176.600 0.048 0.000 1.004 341 E CA 1.190 57.609 56.400 0.032 0.000 0.805 341 E CB -0.810 28.911 29.700 0.034 0.000 0.744 341 E HN 0.319 nan 8.360 nan 0.000 0.451 342 N N 0.957 119.702 118.700 0.074 0.000 2.207 342 N HA -0.033 4.707 4.740 0.000 0.000 0.182 342 N C 1.810 177.391 175.510 0.119 0.000 1.020 342 N CA 1.231 54.341 53.050 0.100 0.000 0.858 342 N CB -0.418 38.178 38.487 0.181 0.000 0.991 342 N HN 0.185 nan 8.380 nan 0.000 0.427 343 A N 1.488 124.400 122.820 0.153 0.000 1.940 343 A HA -0.203 4.117 4.320 0.000 0.000 0.219 343 A C 2.127 179.788 177.584 0.129 0.000 1.176 343 A CA 1.690 53.838 52.037 0.185 0.000 0.631 343 A CB -0.502 18.582 19.000 0.140 0.000 0.814 343 A HN 0.474 nan 8.150 nan 0.000 0.446 344 E N -0.185 120.051 120.200 0.060 0.000 2.046 344 E HA -0.143 4.207 4.350 0.000 0.000 0.190 344 E C 2.001 178.581 176.600 -0.033 0.000 0.982 344 E CA 1.008 57.410 56.400 0.003 0.000 0.800 344 E CB -0.296 29.396 29.700 -0.012 0.000 0.756 344 E HN 0.558 nan 8.360 nan 0.000 0.449 345 L N 0.573 121.794 121.223 -0.002 0.000 2.083 345 L HA -0.179 4.161 4.340 0.000 0.000 0.209 345 L C 2.554 179.460 176.870 0.061 0.000 1.083 345 L CA 1.642 56.483 54.840 0.001 0.000 0.752 345 L CB -0.479 41.619 42.059 0.066 0.000 0.899 345 L HN 0.303 nan 8.230 nan 0.000 0.433 346 Y N 0.934 121.193 120.300 -0.069 0.000 2.293 346 Y HA -0.274 4.276 4.550 0.000 0.000 0.291 346 Y C 2.462 178.366 175.900 0.006 0.000 1.137 346 Y CA 1.770 59.829 58.100 -0.068 0.000 1.202 346 Y CB -0.157 38.121 38.460 -0.303 0.000 0.990 346 Y HN 0.037 nan 8.280 nan 0.000 0.537 347 K N 0.771 121.024 120.400 -0.246 0.000 2.147 347 K HA -0.144 4.176 4.320 0.000 0.000 0.205 347 K C 1.924 178.309 176.600 -0.359 0.000 1.049 347 K CA 1.434 57.527 56.287 -0.323 0.000 0.936 347 K CB 0.028 32.443 32.500 -0.142 0.000 0.722 347 K HN 0.230 nan 8.250 nan 0.000 0.446 348 K N -0.588 119.601 120.400 -0.352 0.000 1.984 348 K HA -0.143 4.177 4.320 0.000 0.000 0.209 348 K C 2.197 178.598 176.600 -0.332 0.000 1.046 348 K CA 1.562 57.584 56.287 -0.441 0.000 0.934 348 K CB -0.796 31.213 32.500 -0.818 0.000 0.717 348 K HN 0.163 nan 8.250 nan 0.000 0.438 349 Y N 2.149 122.331 120.300 -0.196 0.000 2.193 349 Y HA -0.199 4.351 4.550 0.000 0.000 0.285 349 Y C 2.554 178.189 175.900 -0.442 0.000 1.166 349 Y CA 1.547 59.514 58.100 -0.222 0.000 1.181 349 Y CB -0.408 38.036 38.460 -0.027 0.000 0.976 349 Y HN 0.317 nan 8.280 nan 0.000 0.520 350 E N -0.217 119.694 120.200 -0.481 0.000 2.204 350 E HA -0.183 4.167 4.350 0.000 0.000 0.194 350 E C 2.244 178.646 176.600 -0.330 0.000 0.989 350 E CA 0.752 56.837 56.400 -0.524 0.000 0.824 350 E CB -0.096 29.141 29.700 -0.771 0.000 0.756 350 E HN 0.456 nan 8.360 nan 0.000 0.477 351 A N 0.978 123.619 122.820 -0.299 0.000 1.872 351 A HA -0.094 4.226 4.320 0.000 0.000 0.214 351 A C 2.158 179.610 177.584 -0.220 0.000 1.187 351 A CA 0.729 52.637 52.037 -0.216 0.000 0.614 351 A CB -0.551 18.333 19.000 -0.194 0.000 0.826 351 A HN 0.259 nan 8.150 nan 0.000 0.442 352 L N -0.606 120.410 121.223 -0.344 0.000 2.042 352 L HA -0.238 4.103 4.340 0.000 0.000 0.210 352 L C 3.059 179.786 176.870 -0.239 0.000 1.076 352 L CA 1.231 55.794 54.840 -0.462 0.000 0.749 352 L CB -0.664 40.669 42.059 -1.210 0.000 0.893 352 L HN 0.452 nan 8.230 nan 0.000 0.432 353 A N -0.258 122.374 122.820 -0.313 0.000 1.930 353 A HA -0.196 4.124 4.320 0.000 0.000 0.217 353 A C 1.904 179.392 177.584 -0.160 0.000 1.175 353 A CA 1.759 53.562 52.037 -0.390 0.000 0.627 353 A CB -0.410 17.971 19.000 -1.032 0.000 0.815 353 A HN 0.341 nan 8.150 nan 0.000 0.443 354 D N 0.050 120.377 120.400 -0.121 0.000 2.178 354 D HA 0.008 4.648 4.640 0.000 0.000 0.202 354 D C 1.983 178.305 176.300 0.036 0.000 0.974 354 D CA 1.375 55.364 54.000 -0.018 0.000 0.841 354 D CB -0.232 40.546 40.800 -0.038 0.000 0.953 354 D HN 0.442 nan 8.370 nan 0.000 0.478 355 A N 0.441 123.276 122.820 0.025 0.000 2.123 355 A HA 0.345 4.665 4.320 0.000 0.000 0.214 355 A C 1.316 178.975 177.584 0.124 0.000 1.152 355 A CA 0.429 52.501 52.037 0.057 0.000 0.728 355 A CB -0.117 18.897 19.000 0.023 0.000 0.814 355 A HN 0.152 nan 8.150 nan 0.000 0.464 356 A N 1.283 124.221 122.820 0.197 0.000 2.484 356 A HA 0.428 4.748 4.320 0.000 0.000 0.268 356 A C 0.082 177.793 177.584 0.212 0.000 1.114 356 A CA -0.143 52.062 52.037 0.278 0.000 0.780 356 A CB -0.016 19.263 19.000 0.464 0.000 1.061 356 A HN 0.408 nan 8.150 nan 0.000 0.505 357 Q N 1.597 121.494 119.800 0.161 0.000 2.259 357 Q HA 0.246 4.587 4.340 0.000 0.000 0.249 357 Q C -0.270 175.785 176.000 0.091 0.000 0.914 357 Q CA -0.019 55.862 55.803 0.131 0.000 0.904 357 Q CB 0.980 29.778 28.738 0.101 0.000 1.213 357 Q HN 0.807 nan 8.270 nan 0.000 0.428 358 D N -0.370 120.083 120.400 0.089 0.000 3.077 358 D HA -0.137 4.503 4.640 0.000 0.000 0.212 358 D C -0.754 175.211 176.300 -0.558 0.000 1.125 358 D CA 0.611 54.539 54.000 -0.120 0.000 0.970 358 D CB -1.325 39.460 40.800 -0.025 0.000 1.110 358 D HN 0.237 nan 8.370 nan 0.000 0.419 359 V N 0.552 120.323 119.914 -0.237 0.000 2.525 359 V HA 0.488 4.608 4.120 0.000 0.000 0.299 359 V C 0.286 176.418 176.094 0.063 0.000 1.034 359 V CA -0.513 61.659 62.300 -0.213 0.000 0.863 359 V CB 2.387 34.147 31.823 -0.105 0.000 0.999 359 V HN -0.024 nan 8.190 nan 0.000 0.423 360 T N 5.018 119.624 114.554 0.085 0.000 2.823 360 T HA 0.709 5.059 4.350 0.000 0.000 0.279 360 T C -0.829 173.905 174.700 0.058 0.000 0.998 360 T CA -0.181 62.074 62.100 0.258 0.000 0.994 360 T CB 0.992 70.073 68.868 0.356 0.000 0.960 360 T HN 0.282 nan 8.240 nan 0.000 0.448 361 F N 2.173 122.178 119.950 0.092 0.000 2.444 361 F HA 0.690 5.217 4.527 0.000 0.000 0.342 361 F C 0.146 176.013 175.800 0.111 0.000 1.121 361 F CA -0.909 57.147 58.000 0.093 0.000 0.997 361 F CB 1.609 40.681 39.000 0.120 0.000 1.130 361 F HN 0.275 nan 8.300 nan 0.000 0.454 362 V N 2.724 122.757 119.914 0.198 0.000 2.969 362 V HA 0.948 5.068 4.120 0.000 0.000 0.304 362 V C -0.557 175.607 176.094 0.116 0.000 1.192 362 V CA 0.231 62.630 62.300 0.165 0.000 0.962 362 V CB 1.482 33.384 31.823 0.131 0.000 1.045 362 V HN 1.273 nan 8.190 nan 0.000 0.428 363 G N 4.718 113.612 108.800 0.157 0.000 2.440 363 G HA2 -0.051 3.909 3.960 0.000 0.000 0.684 363 G HA3 -0.051 3.909 3.960 0.000 0.000 0.684 363 G C 0.079 175.066 174.900 0.146 0.000 1.309 363 G CA 0.220 45.407 45.100 0.145 0.000 0.931 363 G HN 1.369 nan 8.290 nan 0.000 0.612 364 R N -0.362 120.226 120.500 0.147 0.000 2.083 364 R HA -0.000 4.340 4.340 0.000 0.000 0.237 364 R C 2.323 178.684 176.300 0.101 0.000 1.137 364 R CA 2.156 58.321 56.100 0.108 0.000 0.951 364 R CB -0.362 30.020 30.300 0.137 0.000 0.851 364 R HN 0.548 nan 8.270 nan 0.000 0.434 365 L N -0.066 121.216 121.223 0.099 0.000 2.068 365 L HA 0.012 4.352 4.340 0.000 0.000 0.204 365 L C 2.759 179.781 176.870 0.254 0.000 1.076 365 L CA 1.076 55.997 54.840 0.135 0.000 0.753 365 L CB -0.522 41.498 42.059 -0.065 0.000 0.910 365 L HN 0.302 nan 8.230 nan 0.000 0.439 366 A N -0.016 122.918 122.820 0.190 0.000 1.969 366 A HA -0.145 4.176 4.320 0.000 0.000 0.218 366 A C 2.162 179.994 177.584 0.413 0.000 1.169 366 A CA 1.962 54.208 52.037 0.348 0.000 0.635 366 A CB -0.669 18.493 19.000 0.269 0.000 0.810 366 A HN 0.494 nan 8.150 nan 0.000 0.445 367 T N -7.101 107.608 114.554 0.258 0.000 3.092 367 T HA 0.199 4.549 4.350 0.000 0.000 0.258 367 T C 0.319 174.944 174.700 -0.125 0.000 1.031 367 T CA 0.163 62.375 62.100 0.187 0.000 0.925 367 T CB -0.436 68.534 68.868 0.170 0.000 1.036 367 T HN 0.641 nan 8.240 nan 0.000 0.544 368 Y N 2.164 122.318 120.300 -0.242 0.000 3.168 368 Y HA -0.260 4.290 4.550 0.000 0.000 0.207 368 Y C -0.260 175.444 175.900 -0.328 0.000 1.280 368 Y CA -0.055 57.824 58.100 -0.368 0.000 1.235 368 Y CB -1.794 36.106 38.460 -0.934 0.000 1.370 368 Y HN 0.458 nan 8.280 nan 0.000 0.537 369 R N 0.929 121.254 120.500 -0.293 0.000 2.562 369 R HA 0.299 4.640 4.340 0.000 0.000 0.298 369 R C -0.826 175.338 176.300 -0.226 0.000 0.961 369 R CA -1.117 54.726 56.100 -0.428 0.000 0.881 369 R CB 1.129 30.873 30.300 -0.925 0.000 1.159 369 R HN 0.156 nan 8.270 nan 0.000 0.450 370 Y N 4.078 124.247 120.300 -0.219 0.000 2.570 370 Y HA 0.157 4.707 4.550 0.000 0.000 0.336 370 Y C -1.208 174.803 175.900 0.185 0.000 1.284 370 Y CA -0.828 57.292 58.100 0.032 0.000 1.761 370 Y CB -0.313 38.218 38.460 0.117 0.000 1.724 370 Y HN 0.372 nan 8.280 nan 0.000 0.455 371 Y N 2.550 123.019 120.300 0.282 0.000 2.360 371 Y HA 0.305 4.855 4.550 0.000 0.000 0.337 371 Y C 0.545 176.503 175.900 0.095 0.000 1.039 371 Y CA -1.792 56.383 58.100 0.125 0.000 1.109 371 Y CB 0.863 39.373 38.460 0.084 0.000 1.201 371 Y HN 0.374 nan 8.280 nan 0.000 0.458 372 N N 2.783 121.563 118.700 0.133 0.000 2.371 372 N HA 0.096 4.836 4.740 0.000 0.000 0.243 372 N C 1.345 176.785 175.510 -0.117 0.000 1.287 372 N CA 0.008 53.039 53.050 -0.031 0.000 0.911 372 N CB 0.577 38.935 38.487 -0.215 0.000 1.142 372 N HN 0.682 nan 8.380 nan 0.000 0.451 373 M N 0.266 119.755 119.600 -0.185 0.000 2.082 373 M HA -0.226 4.254 4.480 0.000 0.000 0.258 373 M C 1.497 177.575 176.300 -0.370 0.000 1.069 373 M CA 1.652 56.750 55.300 -0.336 0.000 1.102 373 M CB -0.396 31.988 32.600 -0.360 0.000 1.336 373 M HN 0.584 nan 8.290 nan 0.000 0.404 374 D N 0.008 120.202 120.400 -0.343 0.000 2.144 374 D HA -0.205 4.435 4.640 0.000 0.000 0.200 374 D C 1.676 177.841 176.300 -0.226 0.000 0.978 374 D CA 1.429 55.296 54.000 -0.221 0.000 0.833 374 D CB -0.616 39.943 40.800 -0.401 0.000 0.961 374 D HN 0.514 nan 8.370 nan 0.000 0.470 375 Q N 0.294 119.901 119.800 -0.321 0.000 2.084 375 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 375 Q C 2.647 178.428 176.000 -0.365 0.000 0.978 375 Q CA 1.183 56.712 55.803 -0.457 0.000 0.844 375 Q CB 0.053 28.323 28.738 -0.779 0.000 0.898 375 Q HN 0.206 nan 8.270 nan 0.000 0.426 376 V N 0.200 120.013 119.914 -0.168 0.000 2.427 376 V HA -0.204 3.916 4.120 0.000 0.000 0.248 376 V C 2.209 178.320 176.094 0.028 0.000 1.051 376 V CA 1.218 63.540 62.300 0.037 0.000 1.048 376 V CB -0.345 31.564 31.823 0.144 0.000 0.666 376 V HN 0.181 nan 8.190 nan 0.000 0.456 377 V N 0.439 120.337 119.914 -0.027 0.000 2.295 377 V HA -0.276 3.844 4.120 0.000 0.000 0.246 377 V C 2.727 178.794 176.094 -0.044 0.000 1.049 377 V CA 2.137 64.445 62.300 0.013 0.000 1.024 377 V CB -1.132 30.718 31.823 0.045 0.000 0.648 377 V HN 0.562 nan 8.190 nan 0.000 0.447 378 A N -0.998 121.778 122.820 -0.073 0.000 1.902 378 A HA -0.311 4.009 4.320 0.000 0.000 0.217 378 A C 2.263 179.823 177.584 -0.040 0.000 1.181 378 A CA 2.147 54.139 52.037 -0.074 0.000 0.623 378 A CB -0.577 18.364 19.000 -0.098 0.000 0.818 378 A HN 0.599 nan 8.150 nan 0.000 0.443 379 Q N -0.593 119.191 119.800 -0.026 0.000 2.061 379 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 379 Q C 2.239 178.282 176.000 0.071 0.000 0.984 379 Q CA 1.693 57.530 55.803 0.056 0.000 0.846 379 Q CB -0.337 28.490 28.738 0.149 0.000 0.902 379 Q HN 0.613 nan 8.270 nan 0.000 0.421 380 A N 0.577 123.432 122.820 0.059 0.000 1.972 380 A HA -0.148 4.172 4.320 0.000 0.000 0.219 380 A C 2.034 179.643 177.584 0.041 0.000 1.169 380 A CA 1.082 53.154 52.037 0.058 0.000 0.635 380 A CB -0.576 18.456 19.000 0.054 0.000 0.810 380 A HN 0.432 nan 8.150 nan 0.000 0.446 381 L N -0.960 120.254 121.223 -0.015 0.000 2.056 381 L HA -0.153 4.187 4.340 0.000 0.000 0.207 381 L C 3.121 180.043 176.870 0.086 0.000 1.078 381 L CA 0.987 55.824 54.840 -0.005 0.000 0.749 381 L CB -0.578 41.406 42.059 -0.124 0.000 0.901 381 L HN 0.421 nan 8.230 nan 0.000 0.433 382 A N -0.373 122.478 122.820 0.051 0.000 1.908 382 A HA -0.229 4.092 4.320 0.000 0.000 0.218 382 A C 2.370 179.994 177.584 0.068 0.000 1.181 382 A CA 2.472 54.541 52.037 0.054 0.000 0.627 382 A CB -1.005 18.024 19.000 0.047 0.000 0.818 382 A HN 0.378 nan 8.150 nan 0.000 0.445 383 T N -0.720 113.890 114.554 0.093 0.000 2.684 383 T HA -0.164 4.186 4.350 0.000 0.000 0.267 383 T C 1.596 176.358 174.700 0.103 0.000 1.036 383 T CA 1.681 63.842 62.100 0.102 0.000 1.148 383 T CB -0.433 68.507 68.868 0.121 0.000 0.863 383 T HN 0.517 nan 8.240 nan 0.000 0.436 384 F N 2.226 122.164 119.950 -0.021 0.000 2.095 384 F HA -0.125 4.402 4.527 0.000 0.000 0.298 384 F C 2.377 178.165 175.800 -0.019 0.000 1.104 384 F CA 1.336 59.311 58.000 -0.041 0.000 1.232 384 F CB -0.338 38.627 39.000 -0.059 0.000 0.987 384 F HN -0.046 nan 8.300 nan 0.000 0.475 385 R N 0.026 120.410 120.500 -0.194 0.000 2.080 385 R HA -0.172 4.168 4.340 0.000 0.000 0.236 385 R C 2.465 178.642 176.300 -0.204 0.000 1.137 385 R CA 1.987 57.925 56.100 -0.270 0.000 0.943 385 R CB -0.439 29.811 30.300 -0.085 0.000 0.846 385 R HN 0.276 nan 8.270 nan 0.000 0.431 386 R N 0.068 120.515 120.500 -0.090 0.000 2.105 386 R HA -0.154 4.186 4.340 0.000 0.000 0.239 386 R C 2.108 178.365 176.300 -0.071 0.000 1.135 386 R CA 1.141 57.211 56.100 -0.050 0.000 0.967 386 R CB -0.302 30.004 30.300 0.009 0.000 0.861 386 R HN 0.093 nan 8.270 nan 0.000 0.442 387 L N 0.763 121.928 121.223 -0.097 0.000 2.141 387 L HA -0.147 4.193 4.340 0.000 0.000 0.209 387 L C 2.185 178.969 176.870 -0.143 0.000 1.094 387 L CA 1.629 56.417 54.840 -0.087 0.000 0.763 387 L CB -0.557 41.479 42.059 -0.038 0.000 0.908 387 L HN 0.117 nan 8.230 nan 0.000 0.437 388 Q N -0.303 119.320 119.800 -0.296 0.000 2.437 388 Q HA 0.176 4.516 4.340 0.000 0.000 0.210 388 Q C 0.984 176.898 176.000 -0.144 0.000 0.972 388 Q CA 0.793 56.422 55.803 -0.290 0.000 0.903 388 Q CB 0.044 28.487 28.738 -0.492 0.000 0.967 388 Q HN 0.513 nan 8.270 nan 0.000 0.486 389 G N 0.000 108.735 108.800 -0.108 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 45.065 45.100 -0.059 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925