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_F DATA FIRST_RESID 28 DATA SEQUENCE KGFDYLIVGA GFAGSVLAER LASSGQRVLI VDRRPHIGGN AYDCYDDAGV DATA SEQUENCE LIHPYGPHIF HTNSKDVFEY LSRFTEWRPY QHRVLASVDG QLLPIPINLD DATA SEQUENCE TVNRLYGLNL TSFQVEEFFA SVAEKVEQVR TSEDVVVSKV GRDLYNKFFR DATA SEQUENCE GYTRKQWGLD PSELDASVTA RVPTRTNRDN RYFADTYQAM PLHGYTRMFQ DATA SEQUENCE NMLSSPNIKV MLNTDYREIA DFIPFQHMIY TGPVDAFFDF CYGKLPYRSL DATA SEQUENCE EFRHETHDTE QLLPTGTVNY PNDYAYTRVS EFKHITGQRH HQTSVVYEYP DATA SEQUENCE RAEGDPYYPV PRPENAELYK KYEALADAAQ DVTFVGRLAT YRYYNMDQVV DATA SEQUENCE AQALATFRRL QGQ 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.567 176.600 -0.055 0.000 0.988 28 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 28 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 29 G N 0.645 109.366 108.800 -0.130 0.000 2.503 29 G HA2 -0.231 3.729 3.960 0.000 0.000 0.235 29 G HA3 -0.231 3.729 3.960 0.000 0.000 0.235 29 G C -0.820 173.881 174.900 -0.332 0.000 1.179 29 G CA -0.112 44.850 45.100 -0.229 0.000 0.944 29 G HN 0.052 nan 8.290 nan 0.000 0.580 30 F N 1.501 121.520 119.950 0.114 0.000 2.458 30 F HA 0.509 5.036 4.527 0.000 0.000 0.330 30 F C 1.319 177.193 175.800 0.123 0.000 1.082 30 F CA -0.398 57.678 58.000 0.128 0.000 0.995 30 F CB 1.724 40.811 39.000 0.146 0.000 1.170 30 F HN 0.375 nan 8.300 nan 0.000 0.478 31 D N 0.895 121.483 120.400 0.313 0.000 2.117 31 D HA -0.135 4.505 4.640 0.000 0.000 0.198 31 D C -0.412 175.903 176.300 0.025 0.000 0.982 31 D CA 1.864 55.956 54.000 0.154 0.000 0.828 31 D CB 0.057 40.993 40.800 0.227 0.000 0.967 31 D HN 0.343 nan 8.370 nan 0.000 0.464 32 Y N -0.444 120.009 120.300 0.255 0.000 2.421 32 Y HA 0.333 4.884 4.550 0.000 0.000 0.339 32 Y C -0.578 175.333 175.900 0.018 0.000 0.996 32 Y CA -1.205 57.000 58.100 0.175 0.000 1.046 32 Y CB 2.000 40.534 38.460 0.123 0.000 1.226 32 Y HN -0.250 nan 8.280 nan 0.000 0.445 33 L N 5.442 126.664 121.223 -0.002 0.000 2.257 33 L HA 0.577 4.917 4.340 0.000 0.000 0.290 33 L C -1.093 175.635 176.870 -0.238 0.000 1.044 33 L CA -0.431 54.203 54.840 -0.343 0.000 0.810 33 L CB 0.106 41.567 42.059 -0.997 0.000 1.193 33 L HN 0.505 nan 8.230 nan 0.000 0.425 34 I N 6.116 126.565 120.570 -0.202 0.000 2.339 34 I HA 0.308 4.478 4.170 0.000 0.000 0.290 34 I C -0.617 175.371 176.117 -0.214 0.000 0.994 34 I CA -0.885 60.312 61.300 -0.170 0.000 1.191 34 I CB 1.751 39.673 38.000 -0.129 0.000 1.343 34 I HN 0.242 nan 8.210 nan 0.000 0.458 35 V N 5.679 125.451 119.914 -0.236 0.000 2.318 35 V HA 0.730 4.850 4.120 0.000 0.000 0.271 35 V C 0.473 176.406 176.094 -0.269 0.000 1.030 35 V CA -0.325 61.836 62.300 -0.232 0.000 0.844 35 V CB 0.535 32.211 31.823 -0.245 0.000 1.015 35 V HN 1.075 nan 8.190 nan 0.000 0.460 36 G N 4.126 112.793 108.800 -0.222 0.000 3.233 36 G HA2 0.302 4.263 3.960 0.000 0.000 0.686 36 G HA3 0.302 4.263 3.960 0.000 0.000 0.686 36 G C -0.156 174.615 174.900 -0.216 0.000 1.153 36 G CA -0.268 44.691 45.100 -0.234 0.000 0.853 36 G HN 1.378 nan 8.290 nan 0.000 0.582 37 A N 1.556 124.230 122.820 -0.243 0.000 2.610 37 A HA 0.767 5.088 4.320 0.000 0.000 0.286 37 A C 1.473 178.840 177.584 -0.362 0.000 1.306 37 A CA 1.186 53.066 52.037 -0.261 0.000 0.942 37 A CB -0.205 18.633 19.000 -0.269 0.000 1.112 37 A HN 2.134 nan 8.150 nan 0.000 0.527 38 G N -1.244 107.383 108.800 -0.287 0.000 2.516 38 G HA2 0.355 4.315 3.960 0.000 0.000 0.276 38 G HA3 0.355 4.315 3.960 0.000 0.000 0.276 38 G C 0.630 175.503 174.900 -0.046 0.000 1.390 38 G CA -0.427 44.502 45.100 -0.286 0.000 1.050 38 G HN 0.194 nan 8.290 nan 0.000 0.519 39 F N 0.710 120.788 119.950 0.214 0.000 2.120 39 F HA -0.178 4.349 4.527 0.000 0.000 0.300 39 F C 3.079 178.965 175.800 0.144 0.000 1.095 39 F CA 1.926 60.103 58.000 0.295 0.000 1.249 39 F CB -0.296 38.852 39.000 0.246 0.000 0.995 39 F HN 0.359 nan 8.300 nan 0.000 0.480 40 A N 0.292 123.269 122.820 0.261 0.000 1.851 40 A HA -0.158 4.162 4.320 0.000 0.000 0.216 40 A C 2.537 180.156 177.584 0.059 0.000 1.195 40 A CA 2.094 54.214 52.037 0.138 0.000 0.622 40 A CB -1.656 17.390 19.000 0.077 0.000 0.831 40 A HN 0.415 nan 8.150 nan 0.000 0.444 41 G N -1.361 107.435 108.800 -0.007 0.000 2.408 41 G HA2 -0.044 3.916 3.960 0.000 0.000 0.217 41 G HA3 -0.044 3.916 3.960 0.000 0.000 0.217 41 G C 1.784 176.654 174.900 -0.050 0.000 1.150 41 G CA 1.288 46.350 45.100 -0.064 0.000 0.776 41 G HN 0.500 nan 8.290 nan 0.000 0.542 42 S N 0.022 115.718 115.700 -0.006 0.000 2.371 42 S HA -0.060 4.410 4.470 0.000 0.000 0.224 42 S C 2.499 177.083 174.600 -0.027 0.000 1.029 42 S CA 0.925 59.123 58.200 -0.005 0.000 0.978 42 S CB -0.134 63.140 63.200 0.122 0.000 0.833 42 S HN 0.173 nan 8.310 nan 0.000 0.466 43 V N 2.097 122.039 119.914 0.047 0.000 2.343 43 V HA -0.143 3.977 4.120 0.000 0.000 0.247 43 V C 2.170 178.225 176.094 -0.065 0.000 1.051 43 V CA 1.501 63.835 62.300 0.055 0.000 1.036 43 V CB -0.651 31.250 31.823 0.131 0.000 0.654 43 V HN 0.390 nan 8.190 nan 0.000 0.451 44 L N -0.191 120.991 121.223 -0.069 0.000 2.093 44 L HA -0.110 4.231 4.340 0.000 0.000 0.208 44 L C 2.658 179.419 176.870 -0.181 0.000 1.085 44 L CA 1.347 56.110 54.840 -0.128 0.000 0.755 44 L CB -0.627 41.389 42.059 -0.072 0.000 0.904 44 L HN 0.351 nan 8.230 nan 0.000 0.435 45 A N -0.587 122.151 122.820 -0.137 0.000 1.902 45 A HA -0.236 4.084 4.320 0.000 0.000 0.217 45 A C 2.317 179.820 177.584 -0.135 0.000 1.181 45 A CA 1.742 53.701 52.037 -0.131 0.000 0.623 45 A CB -0.457 18.478 19.000 -0.107 0.000 0.818 45 A HN 0.399 nan 8.150 nan 0.000 0.443 46 E N -0.029 120.084 120.200 -0.144 0.000 2.028 46 E HA -0.199 4.151 4.350 0.000 0.000 0.191 46 E C 2.251 178.759 176.600 -0.154 0.000 0.988 46 E CA 0.902 57.227 56.400 -0.126 0.000 0.799 46 E CB -0.249 29.356 29.700 -0.157 0.000 0.755 46 E HN 0.404 nan 8.360 nan 0.000 0.447 47 R N 0.307 120.616 120.500 -0.318 0.000 2.080 47 R HA -0.148 4.192 4.340 0.000 0.000 0.236 47 R C 2.460 178.427 176.300 -0.555 0.000 1.137 47 R CA 0.773 56.428 56.100 -0.742 0.000 0.943 47 R CB -1.085 28.224 30.300 -1.652 0.000 0.846 47 R HN 0.243 nan 8.270 nan 0.000 0.431 48 L N 0.660 121.670 121.223 -0.354 0.000 2.042 48 L HA -0.092 4.248 4.340 0.000 0.000 0.210 48 L C 2.464 179.333 176.870 -0.002 0.000 1.076 48 L CA 1.919 56.710 54.840 -0.082 0.000 0.749 48 L CB -1.478 40.438 42.059 -0.238 0.000 0.893 48 L HN 0.181 nan 8.230 nan 0.000 0.432 49 A N -0.911 121.888 122.820 -0.034 0.000 1.969 49 A HA -0.156 4.164 4.320 0.000 0.000 0.218 49 A C 2.467 180.072 177.584 0.036 0.000 1.169 49 A CA 1.585 53.635 52.037 0.021 0.000 0.635 49 A CB -0.619 18.386 19.000 0.008 0.000 0.810 49 A HN 0.548 nan 8.150 nan 0.000 0.445 50 S N 0.241 115.949 115.700 0.013 0.000 2.447 50 S HA -0.091 4.379 4.470 0.000 0.000 0.233 50 S C 1.622 176.270 174.600 0.081 0.000 1.006 50 S CA 1.405 59.630 58.200 0.042 0.000 0.957 50 S CB -0.604 62.613 63.200 0.029 0.000 0.773 50 S HN 0.908 nan 8.310 nan 0.000 0.507 51 S N -0.302 115.466 115.700 0.113 0.000 2.583 51 S HA 0.549 5.019 4.470 0.000 0.000 0.239 51 S C 1.314 175.993 174.600 0.131 0.000 0.966 51 S CA 0.220 58.514 58.200 0.157 0.000 0.973 51 S CB -0.387 62.973 63.200 0.267 0.000 0.794 51 S HN 1.444 nan 8.310 nan 0.000 0.463 52 G N 0.759 109.623 108.800 0.107 0.000 2.176 52 G HA2 -0.217 3.744 3.960 0.000 0.000 0.253 52 G HA3 -0.217 3.744 3.960 0.000 0.000 0.253 52 G C -0.092 174.881 174.900 0.122 0.000 0.979 52 G CA -0.082 45.078 45.100 0.100 0.000 0.641 52 G HN 0.553 nan 8.290 nan 0.000 0.530 53 Q N 0.373 120.265 119.800 0.153 0.000 2.327 53 Q HA 0.341 4.681 4.340 0.000 0.000 0.254 53 Q C 0.648 176.771 176.000 0.205 0.000 0.952 53 Q CA -0.109 55.821 55.803 0.211 0.000 0.884 53 Q CB 0.703 29.619 28.738 0.297 0.000 1.224 53 Q HN 0.509 nan 8.270 nan 0.000 0.422 54 R N 1.185 121.830 120.500 0.243 0.000 2.216 54 R HA 0.367 4.707 4.340 0.000 0.000 0.332 54 R C -0.549 176.003 176.300 0.420 0.000 1.056 54 R CA -0.316 55.956 56.100 0.287 0.000 0.901 54 R CB 0.416 30.852 30.300 0.227 0.000 1.039 54 R HN 0.238 nan 8.270 nan 0.000 0.456 55 V N 5.004 125.108 119.914 0.318 0.000 2.495 55 V HA 0.301 4.421 4.120 0.000 0.000 0.298 55 V C -0.604 175.430 176.094 -0.100 0.000 1.031 55 V CA -0.979 61.412 62.300 0.153 0.000 0.871 55 V CB 1.891 33.745 31.823 0.052 0.000 0.988 55 V HN 0.489 nan 8.190 nan 0.000 0.432 56 L N 6.399 127.356 121.223 -0.444 0.000 2.298 56 L HA 0.661 5.001 4.340 0.000 0.000 0.284 56 L C -0.705 175.943 176.870 -0.370 0.000 1.013 56 L CA 0.049 54.474 54.840 -0.692 0.000 0.824 56 L CB 1.109 42.357 42.059 -1.352 0.000 1.221 56 L HN 0.669 nan 8.230 nan 0.000 0.418 57 I N 5.305 125.720 120.570 -0.258 0.000 2.377 57 I HA 0.607 4.777 4.170 0.000 0.000 0.293 57 I C -1.154 174.845 176.117 -0.198 0.000 0.987 57 I CA -0.521 60.656 61.300 -0.204 0.000 1.185 57 I CB 1.627 39.531 38.000 -0.159 0.000 1.341 57 I HN 0.475 nan 8.210 nan 0.000 0.455 58 V N 6.944 126.743 119.914 -0.191 0.000 2.823 58 V HA 0.607 4.727 4.120 0.000 0.000 0.312 58 V C -1.100 174.898 176.094 -0.160 0.000 1.072 58 V CA -0.382 61.819 62.300 -0.165 0.000 0.937 58 V CB 2.160 33.893 31.823 -0.150 0.000 1.013 58 V HN 0.751 nan 8.190 nan 0.000 0.430 59 D N 2.399 122.704 120.400 -0.157 0.000 2.937 59 D HA 0.256 4.896 4.640 0.000 0.000 0.215 59 D C 0.647 176.847 176.300 -0.167 0.000 1.274 59 D CA -0.514 53.377 54.000 -0.181 0.000 0.869 59 D CB 2.060 42.708 40.800 -0.254 0.000 1.675 59 D HN 0.619 nan 8.370 nan 0.000 0.538 60 R N 2.471 122.885 120.500 -0.143 0.000 2.189 60 R HA 0.070 4.410 4.340 0.000 0.000 0.223 60 R C 0.490 176.694 176.300 -0.160 0.000 1.092 60 R CA 0.243 56.271 56.100 -0.121 0.000 0.989 60 R CB 0.181 30.430 30.300 -0.085 0.000 0.876 60 R HN 0.160 nan 8.270 nan 0.000 0.457 61 R N 1.344 121.694 120.500 -0.250 0.000 2.637 61 R HA 0.118 4.458 4.340 0.000 0.000 0.269 61 R C -1.846 174.236 176.300 -0.364 0.000 1.089 61 R CA -1.715 54.175 56.100 -0.349 0.000 1.177 61 R CB 0.381 30.312 30.300 -0.616 0.000 1.091 61 R HN 0.056 nan 8.270 nan 0.000 0.540 62 P HA 0.077 nan 4.420 nan 0.000 0.257 62 P C -1.254 175.916 177.300 -0.217 0.000 1.325 62 P CA 0.353 63.334 63.100 -0.199 0.000 0.850 62 P CB 0.082 31.731 31.700 -0.086 0.000 1.324 63 H N -1.532 117.349 119.070 -0.315 0.000 2.985 63 H HA 0.602 5.158 4.556 0.000 0.000 0.360 63 H C 0.048 175.131 175.328 -0.408 0.000 1.221 63 H CA -1.506 54.277 56.048 -0.441 0.000 1.121 63 H CB 0.401 29.579 29.762 -0.974 0.000 1.854 63 H HN -0.174 nan 8.280 nan 0.000 0.551 64 I N -1.946 118.526 120.570 -0.163 0.000 3.078 64 I HA 0.684 4.854 4.170 0.000 0.000 0.318 64 I C 1.084 177.020 176.117 -0.301 0.000 1.016 64 I CA -0.356 60.797 61.300 -0.245 0.000 1.130 64 I CB 0.993 38.871 38.000 -0.203 0.000 1.397 64 I HN 1.077 nan 8.210 nan 0.000 0.570 65 G N 0.717 109.046 108.800 -0.785 0.000 2.194 65 G HA2 -0.014 3.946 3.960 0.000 0.000 0.236 65 G HA3 -0.014 3.946 3.960 0.000 0.000 0.236 65 G C 0.905 175.327 174.900 -0.796 0.000 0.987 65 G CA 0.179 44.416 45.100 -1.438 0.000 0.635 65 G HN 2.106 nan 8.290 nan 0.000 0.520 66 G N 0.769 109.307 108.800 -0.437 0.000 2.596 66 G HA2 -0.362 3.598 3.960 0.000 0.000 0.295 66 G HA3 -0.362 3.598 3.960 0.000 0.000 0.295 66 G C 0.857 175.602 174.900 -0.258 0.000 1.240 66 G CA 0.993 45.914 45.100 -0.299 0.000 0.985 66 G HN 1.132 nan 8.290 nan 0.000 0.555 67 N N 1.143 119.691 118.700 -0.254 0.000 2.381 67 N HA 0.147 4.887 4.740 0.000 0.000 0.182 67 N C 2.124 177.411 175.510 -0.371 0.000 1.025 67 N CA 1.673 54.559 53.050 -0.272 0.000 0.888 67 N CB -0.392 38.129 38.487 0.056 0.000 0.965 67 N HN 0.944 nan 8.380 nan 0.000 0.438 68 A N -0.511 122.059 122.820 -0.417 0.000 2.275 68 A HA 0.011 4.331 4.320 0.000 0.000 0.212 68 A C 0.266 177.550 177.584 -0.501 0.000 1.201 68 A CA -0.447 51.152 52.037 -0.730 0.000 0.843 68 A CB -0.564 18.240 19.000 -0.326 0.000 0.873 68 A HN 0.287 nan 8.150 nan 0.000 0.492 69 Y N 2.859 122.922 120.300 -0.395 0.000 2.810 69 Y HA 0.222 4.772 4.550 0.000 0.000 0.332 69 Y C -0.102 175.638 175.900 -0.268 0.000 1.243 69 Y CA -0.240 57.677 58.100 -0.306 0.000 1.537 69 Y CB 0.159 38.381 38.460 -0.397 0.000 1.265 69 Y HN 0.530 nan 8.280 nan 0.000 0.572 70 D N 4.625 124.583 120.400 -0.735 0.000 2.423 70 D HA 0.605 5.245 4.640 0.000 0.000 0.235 70 D C -0.949 174.730 176.300 -1.035 0.000 1.011 70 D CA -0.590 52.962 54.000 -0.746 0.000 0.963 70 D CB 1.199 41.849 40.800 -0.250 0.000 1.349 70 D HN 0.706 nan 8.370 nan 0.000 0.508 71 C N -1.776 117.066 119.300 -0.763 0.000 3.311 71 C HA 0.670 5.131 4.460 0.000 0.000 0.325 71 C C -1.402 173.317 174.990 -0.451 0.000 1.352 71 C CA -1.149 57.545 59.018 -0.540 0.000 1.308 71 C CB -0.111 27.355 27.740 -0.458 0.000 1.619 71 C HN 0.613 nan 8.230 nan 0.000 0.469 72 Y N 2.306 122.481 120.300 -0.209 0.000 2.316 72 Y HA 0.435 4.985 4.550 0.000 0.000 0.331 72 Y C 1.113 176.918 175.900 -0.158 0.000 1.083 72 Y CA 0.721 58.723 58.100 -0.164 0.000 1.206 72 Y CB 0.793 39.193 38.460 -0.100 0.000 1.195 72 Y HN 0.866 nan 8.280 nan 0.000 0.497 73 D N 0.140 120.506 120.400 -0.057 0.000 2.398 73 D HA -0.016 4.624 4.640 0.000 0.000 0.264 73 D C 0.361 176.652 176.300 -0.015 0.000 1.263 73 D CA -0.227 53.726 54.000 -0.079 0.000 1.037 73 D CB 0.470 41.193 40.800 -0.129 0.000 1.101 73 D HN 0.409 nan 8.370 nan 0.000 0.551 74 D N -1.035 119.349 120.400 -0.027 0.000 2.263 74 D HA -0.049 4.591 4.640 0.000 0.000 0.208 74 D C 1.554 177.866 176.300 0.020 0.000 0.971 74 D CA 1.485 55.483 54.000 -0.003 0.000 0.867 74 D CB -0.318 40.476 40.800 -0.009 0.000 0.929 74 D HN 0.522 nan 8.370 nan 0.000 0.492 75 A N -0.541 122.286 122.820 0.011 0.000 2.218 75 A HA 0.437 4.757 4.320 0.000 0.000 0.209 75 A C 1.697 179.357 177.584 0.128 0.000 1.168 75 A CA 0.911 52.976 52.037 0.046 0.000 0.804 75 A CB 0.020 19.008 19.000 -0.019 0.000 0.834 75 A HN 0.211 nan 8.150 nan 0.000 0.482 76 G N -1.284 107.578 108.800 0.103 0.000 2.132 76 G HA2 -0.164 3.796 3.960 0.000 0.000 0.228 76 G HA3 -0.164 3.796 3.960 0.000 0.000 0.228 76 G C 0.017 175.041 174.900 0.207 0.000 1.000 76 G CA 0.094 45.312 45.100 0.198 0.000 0.693 76 G HN 0.796 nan 8.290 nan 0.000 0.515 77 V N 1.064 120.955 119.914 -0.039 0.000 2.439 77 V HA 0.629 4.750 4.120 0.000 0.000 0.282 77 V C 0.696 176.671 176.094 -0.199 0.000 1.039 77 V CA -0.878 61.314 62.300 -0.180 0.000 0.913 77 V CB 1.692 33.323 31.823 -0.320 0.000 0.983 77 V HN 0.453 nan 8.190 nan 0.000 0.460 78 L N 7.644 128.657 121.223 -0.350 0.000 2.361 78 L HA 0.554 4.895 4.340 0.000 0.000 0.278 78 L C -0.273 176.254 176.870 -0.571 0.000 1.113 78 L CA 0.616 55.026 54.840 -0.716 0.000 0.849 78 L CB 0.022 41.609 42.059 -0.787 0.000 1.155 78 L HN 0.666 nan 8.230 nan 0.000 0.452 79 I N 0.759 120.904 120.570 -0.708 0.000 3.145 79 I HA 0.538 4.708 4.170 0.000 0.000 0.313 79 I C -1.042 174.484 176.117 -0.986 0.000 1.122 79 I CA -0.809 59.764 61.300 -1.212 0.000 0.987 79 I CB 2.153 39.600 38.000 -0.921 0.000 1.236 79 I HN 0.568 nan 8.210 nan 0.000 0.453 80 H N 2.131 120.342 119.070 -1.432 0.000 2.673 80 H HA 0.314 4.870 4.556 0.000 0.000 0.293 80 H C -2.132 172.961 175.328 -0.390 0.000 1.065 80 H CA -1.949 53.745 56.048 -0.590 0.000 1.236 80 H CB 1.167 30.865 29.762 -0.106 0.000 1.389 80 H HN 0.439 nan 8.280 nan 0.000 0.481 81 P HA -0.174 nan 4.420 nan 0.000 0.221 81 P C -0.099 176.690 177.300 -0.853 0.000 1.145 81 P CA 1.326 64.082 63.100 -0.575 0.000 0.795 81 P CB 0.106 31.346 31.700 -0.767 0.000 0.775 82 Y N -1.031 118.986 120.300 -0.471 0.000 2.708 82 Y HA 0.532 5.082 4.550 0.000 0.000 0.287 82 Y C 1.324 176.891 175.900 -0.555 0.000 1.145 82 Y CA -0.116 57.419 58.100 -0.943 0.000 1.249 82 Y CB -0.022 38.252 38.460 -0.311 0.000 1.152 82 Y HN -0.089 nan 8.280 nan 0.000 0.532 83 G N 1.089 109.806 108.800 -0.139 0.000 2.619 83 G HA2 -0.138 3.823 3.960 0.000 0.000 0.686 83 G HA3 -0.138 3.823 3.960 0.000 0.000 0.686 83 G C -3.133 172.121 174.900 0.590 0.000 1.256 83 G CA -1.564 43.733 45.100 0.328 0.000 0.826 83 G HN -0.069 nan 8.290 nan 0.000 0.619 84 P HA 0.203 nan 4.420 nan 0.000 0.261 84 P C -0.614 176.965 177.300 0.465 0.000 1.203 84 P CA 0.531 63.957 63.100 0.543 0.000 0.767 84 P CB 0.032 31.851 31.700 0.198 0.000 0.785 85 H N 3.335 122.741 119.070 0.559 0.000 2.638 85 H HA 0.438 4.994 4.556 0.000 0.000 0.303 85 H C -0.026 175.585 175.328 0.471 0.000 1.034 85 H CA -0.433 55.791 56.048 0.294 0.000 1.225 85 H CB 0.220 29.930 29.762 -0.087 0.000 1.394 85 H HN 0.251 nan 8.280 nan 0.000 0.477 86 I N 3.811 124.667 120.570 0.478 0.000 2.330 86 I HA 0.115 4.286 4.170 0.000 0.000 0.289 86 I C -0.269 176.158 176.117 0.516 0.000 1.001 86 I CA -0.555 61.059 61.300 0.523 0.000 1.193 86 I CB 0.342 38.581 38.000 0.398 0.000 1.345 86 I HN 0.407 nan 8.210 nan 0.000 0.461 87 F N 7.580 127.805 119.950 0.458 0.000 2.443 87 F HA 0.487 5.014 4.527 0.000 0.000 0.353 87 F C 0.140 176.055 175.800 0.193 0.000 1.101 87 F CA 0.276 58.457 58.000 0.301 0.000 1.226 87 F CB 0.172 39.439 39.000 0.445 0.000 1.140 87 F HN 0.689 nan 8.300 nan 0.000 0.557 88 H N 1.316 119.745 119.070 -1.068 0.000 3.123 88 H HA 0.539 5.095 4.556 0.000 0.000 0.346 88 H C -1.369 173.421 175.328 -0.896 0.000 1.138 88 H CA -0.994 54.563 56.048 -0.818 0.000 1.273 88 H CB 1.442 30.747 29.762 -0.762 0.000 1.926 88 H HN 0.621 nan 8.280 nan 0.000 0.524 89 T N 1.146 115.411 114.554 -0.481 0.000 2.889 89 T HA 0.273 4.623 4.350 0.000 0.000 0.315 89 T C -0.430 174.262 174.700 -0.014 0.000 1.291 89 T CA -0.773 61.155 62.100 -0.288 0.000 1.028 89 T CB 1.372 70.104 68.868 -0.226 0.000 1.235 89 T HN 0.725 nan 8.240 nan 0.000 0.491 90 N N 1.146 119.845 118.700 -0.002 0.000 2.299 90 N HA 0.120 4.860 4.740 0.000 0.000 0.187 90 N C 0.215 175.815 175.510 0.151 0.000 1.099 90 N CA 0.126 53.210 53.050 0.057 0.000 0.867 90 N CB 0.693 39.174 38.487 -0.010 0.000 0.974 90 N HN 0.491 nan 8.380 nan 0.000 0.477 91 S N 0.835 116.599 115.700 0.107 0.000 2.411 91 S HA 0.153 4.623 4.470 0.000 0.000 0.294 91 S C 1.252 175.874 174.600 0.035 0.000 1.115 91 S CA -0.547 57.700 58.200 0.078 0.000 1.071 91 S CB 1.030 64.248 63.200 0.031 0.000 0.967 91 S HN 0.126 nan 8.310 nan 0.000 0.488 92 K N 3.545 123.970 120.400 0.043 0.000 2.103 92 K HA -0.161 4.159 4.320 0.000 0.000 0.207 92 K C 0.741 177.304 176.600 -0.062 0.000 1.048 92 K CA 2.363 58.563 56.287 -0.146 0.000 0.930 92 K CB -0.146 32.377 32.500 0.038 0.000 0.716 92 K HN 0.773 nan 8.250 nan 0.000 0.444 93 D N -0.101 120.310 120.400 0.017 0.000 2.234 93 D HA -0.110 4.530 4.640 0.000 0.000 0.205 93 D C 1.840 178.201 176.300 0.101 0.000 0.962 93 D CA 0.477 54.508 54.000 0.051 0.000 0.855 93 D CB -0.149 40.679 40.800 0.047 0.000 0.951 93 D HN -0.009 nan 8.370 nan 0.000 0.500 94 V N 0.435 120.413 119.914 0.106 0.000 2.295 94 V HA -0.236 3.884 4.120 0.000 0.000 0.246 94 V C 2.028 178.269 176.094 0.246 0.000 1.049 94 V CA 1.436 63.850 62.300 0.191 0.000 1.024 94 V CB -0.634 31.291 31.823 0.170 0.000 0.648 94 V HN 0.155 nan 8.190 nan 0.000 0.447 95 F N 0.974 120.912 119.950 -0.021 0.000 2.095 95 F HA -0.235 4.292 4.527 0.000 0.000 0.298 95 F C 2.491 178.257 175.800 -0.056 0.000 1.104 95 F CA 2.212 60.128 58.000 -0.140 0.000 1.232 95 F CB -0.016 38.630 39.000 -0.589 0.000 0.987 95 F HN 0.211 nan 8.300 nan 0.000 0.475 96 E N -1.275 118.907 120.200 -0.030 0.000 2.152 96 E HA -0.233 4.117 4.350 0.000 0.000 0.192 96 E C 1.843 178.418 176.600 -0.041 0.000 0.983 96 E CA 1.085 57.445 56.400 -0.066 0.000 0.818 96 E CB -0.431 29.272 29.700 0.004 0.000 0.758 96 E HN 0.610 nan 8.360 nan 0.000 0.467 97 Y N 1.437 121.706 120.300 -0.052 0.000 2.114 97 Y HA -0.232 4.318 4.550 0.000 0.000 0.284 97 Y C 1.946 177.843 175.900 -0.005 0.000 1.143 97 Y CA 1.191 59.280 58.100 -0.018 0.000 1.135 97 Y CB -0.282 38.215 38.460 0.062 0.000 0.980 97 Y HN -0.042 nan 8.280 nan 0.000 0.499 98 L N 0.095 121.271 121.223 -0.080 0.000 2.191 98 L HA -0.184 4.156 4.340 0.000 0.000 0.212 98 L C 2.497 179.245 176.870 -0.204 0.000 1.103 98 L CA 1.753 56.535 54.840 -0.097 0.000 0.769 98 L CB -1.421 40.673 42.059 0.058 0.000 0.908 98 L HN 0.223 nan 8.230 nan 0.000 0.438 99 S N -0.850 114.737 115.700 -0.188 0.000 2.442 99 S HA -0.146 4.325 4.470 0.000 0.000 0.236 99 S C 1.944 176.315 174.600 -0.381 0.000 1.007 99 S CA 0.712 58.802 58.200 -0.183 0.000 0.965 99 S CB -0.201 62.927 63.200 -0.120 0.000 0.773 99 S HN 0.456 nan 8.310 nan 0.000 0.504 100 R N -0.103 120.022 120.500 -0.625 0.000 2.189 100 R HA -0.008 4.332 4.340 0.000 0.000 0.223 100 R C 0.827 176.539 176.300 -0.981 0.000 1.092 100 R CA 1.119 56.682 56.100 -0.894 0.000 0.989 100 R CB -0.256 29.248 30.300 -1.327 0.000 0.876 100 R HN 0.466 nan 8.270 nan 0.000 0.457 101 F N -1.149 118.583 119.950 -0.364 0.000 2.682 101 F HA 0.262 4.789 4.527 0.000 0.000 0.308 101 F C 0.586 176.149 175.800 -0.394 0.000 1.093 101 F CA -0.306 57.481 58.000 -0.355 0.000 1.244 101 F CB 1.116 39.880 39.000 -0.393 0.000 1.052 101 F HN -0.201 nan 8.300 nan 0.000 0.573 102 T N -0.510 113.807 114.554 -0.395 0.000 2.893 102 T HA 0.254 4.604 4.350 0.000 0.000 0.337 102 T C -1.133 173.143 174.700 -0.706 0.000 1.587 102 T CA -0.651 61.129 62.100 -0.535 0.000 1.066 102 T CB 1.352 69.782 68.868 -0.730 0.000 1.414 102 T HN 0.057 nan 8.240 nan 0.000 0.488 103 E N 0.870 120.731 120.200 -0.566 0.000 2.322 103 E HA 0.546 4.897 4.350 0.000 0.000 0.257 103 E C -1.019 175.162 176.600 -0.699 0.000 1.155 103 E CA -0.621 55.489 56.400 -0.484 0.000 0.936 103 E CB 0.964 30.537 29.700 -0.213 0.000 1.130 103 E HN 0.511 nan 8.360 nan 0.000 0.465 104 W N 0.350 121.593 121.300 -0.095 0.000 2.844 104 W HA 0.386 5.046 4.660 0.000 0.000 0.340 104 W C -0.257 176.261 176.519 -0.002 0.000 1.093 104 W CA -0.802 56.524 57.345 -0.031 0.000 1.212 104 W CB 1.154 30.676 29.460 0.104 0.000 1.422 104 W HN 0.165 nan 8.180 nan 0.000 0.515 105 R N 3.376 124.033 120.500 0.261 0.000 2.265 105 R HA 0.431 4.772 4.340 0.000 0.000 0.328 105 R C -2.575 173.904 176.300 0.298 0.000 0.969 105 R CA -1.737 54.484 56.100 0.202 0.000 0.832 105 R CB 1.048 31.408 30.300 0.099 0.000 1.139 105 R HN 0.111 nan 8.270 nan 0.000 0.457 106 P HA -0.019 nan 4.420 nan 0.000 0.265 106 P C -1.657 175.845 177.300 0.337 0.000 1.193 106 P CA 0.365 63.619 63.100 0.257 0.000 0.765 106 P CB 0.155 31.959 31.700 0.173 0.000 0.823 107 Y N 1.576 121.982 120.300 0.175 0.000 2.376 107 Y HA 0.252 4.802 4.550 0.000 0.000 0.321 107 Y C -1.509 174.513 175.900 0.203 0.000 1.189 107 Y CA -0.534 57.678 58.100 0.188 0.000 1.069 107 Y CB 1.538 40.132 38.460 0.223 0.000 1.292 107 Y HN 0.312 nan 8.280 nan 0.000 0.430 108 Q N 5.296 124.851 119.800 -0.408 0.000 2.413 108 Q HA 0.214 4.554 4.340 0.000 0.000 0.258 108 Q C -1.101 174.537 176.000 -0.603 0.000 1.037 108 Q CA -0.984 54.603 55.803 -0.360 0.000 0.764 108 Q CB 1.124 29.781 28.738 -0.135 0.000 1.217 108 Q HN 0.661 nan 8.270 nan 0.000 0.490 109 H N 2.519 121.144 119.070 -0.743 0.000 3.064 109 H HA 0.062 4.618 4.556 0.000 0.000 0.329 109 H C -0.656 174.528 175.328 -0.240 0.000 1.020 109 H CA 0.966 56.743 56.048 -0.451 0.000 1.402 109 H CB 0.447 30.205 29.762 -0.007 0.000 1.379 109 H HN 0.418 nan 8.280 nan 0.000 0.594 110 R N 3.260 123.455 120.500 -0.509 0.000 2.575 110 R HA 0.496 4.836 4.340 0.000 0.000 0.293 110 R C -1.311 174.636 176.300 -0.589 0.000 0.983 110 R CA -0.980 54.861 56.100 -0.431 0.000 0.887 110 R CB 2.084 32.243 30.300 -0.235 0.000 1.184 110 R HN 0.312 nan 8.270 nan 0.000 0.445 111 V N 4.087 123.711 119.914 -0.483 0.000 2.628 111 V HA 0.481 4.601 4.120 0.000 0.000 0.306 111 V C -0.841 175.094 176.094 -0.265 0.000 1.045 111 V CA -0.912 61.111 62.300 -0.462 0.000 0.905 111 V CB 1.933 33.378 31.823 -0.629 0.000 0.997 111 V HN 0.431 nan 8.190 nan 0.000 0.436 112 L N 3.262 124.338 121.223 -0.245 0.000 2.365 112 L HA 0.836 5.176 4.340 0.000 0.000 0.273 112 L C 0.201 176.960 176.870 -0.185 0.000 1.000 112 L CA -0.561 54.172 54.840 -0.179 0.000 0.819 112 L CB 1.600 43.556 42.059 -0.172 0.000 1.284 112 L HN 0.804 nan 8.230 nan 0.000 0.418 113 A N 1.722 124.472 122.820 -0.117 0.000 2.292 113 A HA 0.602 4.922 4.320 0.000 0.000 0.319 113 A C -0.070 177.404 177.584 -0.184 0.000 1.206 113 A CA -0.408 51.548 52.037 -0.135 0.000 0.835 113 A CB 0.903 19.909 19.000 0.011 0.000 1.164 113 A HN 0.634 nan 8.150 nan 0.000 0.505 114 S N 2.206 117.717 115.700 -0.315 0.000 2.416 114 S HA 0.479 4.950 4.470 0.000 0.000 0.302 114 S C -0.581 173.901 174.600 -0.197 0.000 1.120 114 S CA -0.275 57.769 58.200 -0.260 0.000 1.067 114 S CB -0.690 62.295 63.200 -0.358 0.000 1.057 114 S HN 0.691 nan 8.310 nan 0.000 0.518 115 V N 4.946 124.739 119.914 -0.202 0.000 2.638 115 V HA 0.376 4.496 4.120 0.000 0.000 0.306 115 V C -0.490 175.496 176.094 -0.180 0.000 1.052 115 V CA -0.860 61.276 62.300 -0.274 0.000 0.885 115 V CB 1.802 33.294 31.823 -0.552 0.000 0.999 115 V HN 0.869 nan 8.190 nan 0.000 0.424 116 D N 3.686 123.997 120.400 -0.147 0.000 2.701 116 D HA -0.182 4.458 4.640 0.000 0.000 0.235 116 D C 1.369 177.631 176.300 -0.063 0.000 1.155 116 D CA 1.853 55.796 54.000 -0.095 0.000 0.649 116 D CB -1.069 39.672 40.800 -0.099 0.000 1.050 116 D HN 1.510 nan 8.370 nan 0.000 0.425 117 G N -0.584 108.187 108.800 -0.048 0.000 2.187 117 G HA2 -0.372 3.588 3.960 0.000 0.000 0.261 117 G HA3 -0.372 3.588 3.960 0.000 0.000 0.261 117 G C 0.220 175.105 174.900 -0.025 0.000 1.000 117 G CA 1.024 46.113 45.100 -0.019 0.000 0.718 117 G HN 0.545 nan 8.290 nan 0.000 0.519 118 Q N -1.238 118.533 119.800 -0.048 0.000 2.348 118 Q HA 0.727 5.067 4.340 0.000 0.000 0.271 118 Q C 0.052 176.015 176.000 -0.062 0.000 1.067 118 Q CA -0.915 54.860 55.803 -0.046 0.000 0.839 118 Q CB 1.898 30.607 28.738 -0.047 0.000 1.354 118 Q HN 0.244 nan 8.270 nan 0.000 0.447 119 L N 2.811 123.999 121.223 -0.057 0.000 2.259 119 L HA 0.353 4.693 4.340 0.000 0.000 0.288 119 L C -1.166 175.671 176.870 -0.056 0.000 1.051 119 L CA -0.518 54.276 54.840 -0.077 0.000 0.824 119 L CB 0.250 42.260 42.059 -0.081 0.000 1.206 119 L HN 0.276 nan 8.230 nan 0.000 0.429 120 L N 5.826 127.029 121.223 -0.033 0.000 2.333 120 L HA 0.648 4.988 4.340 0.000 0.000 0.269 120 L C -2.238 174.629 176.870 -0.006 0.000 1.010 120 L CA -2.444 52.401 54.840 0.008 0.000 0.818 120 L CB 1.593 43.714 42.059 0.104 0.000 1.306 120 L HN 0.219 nan 8.230 nan 0.000 0.430 121 P HA 0.300 nan 4.420 nan 0.000 0.271 121 P C -0.992 176.240 177.300 -0.112 0.000 1.216 121 P CA -0.010 63.040 63.100 -0.083 0.000 0.771 121 P CB 0.748 32.392 31.700 -0.092 0.000 0.864 122 I N 4.678 125.186 120.570 -0.104 0.000 2.533 122 I HA 0.476 4.646 4.170 0.000 0.000 0.290 122 I C -2.652 173.430 176.117 -0.059 0.000 1.056 122 I CA -3.477 57.744 61.300 -0.132 0.000 1.057 122 I CB 1.894 39.834 38.000 -0.099 0.000 1.240 122 I HN 0.175 nan 8.210 nan 0.000 0.423 123 P HA 0.051 nan 4.420 nan 0.000 0.266 123 P C -0.339 176.837 177.300 -0.207 0.000 1.180 123 P CA 0.368 63.345 63.100 -0.206 0.000 0.765 123 P CB 0.213 31.780 31.700 -0.222 0.000 0.806 124 I N 2.873 123.293 120.570 -0.249 0.000 2.741 124 I HA -0.077 4.093 4.170 0.000 0.000 0.288 124 I C 1.246 177.295 176.117 -0.113 0.000 1.192 124 I CA 0.805 61.931 61.300 -0.290 0.000 1.426 124 I CB -0.187 37.627 38.000 -0.310 0.000 1.367 124 I HN 0.535 nan 8.210 nan 0.000 0.563 125 N N 5.814 124.469 118.700 -0.076 0.000 3.229 125 N HA 0.262 5.002 4.740 0.000 0.000 0.315 125 N C 0.359 175.872 175.510 0.005 0.000 1.520 125 N CA -0.884 52.159 53.050 -0.011 0.000 0.769 125 N CB 0.508 38.961 38.487 -0.057 0.000 1.766 125 N HN 0.412 nan 8.380 nan 0.000 0.618 126 L N -0.155 121.052 121.223 -0.027 0.000 2.013 126 L HA -0.176 4.164 4.340 0.000 0.000 0.212 126 L C 0.646 177.471 176.870 -0.075 0.000 1.073 126 L CA 2.188 56.986 54.840 -0.071 0.000 0.753 126 L CB -0.469 41.531 42.059 -0.098 0.000 0.890 126 L HN 0.534 nan 8.230 nan 0.000 0.432 127 D N -0.991 119.369 120.400 -0.067 0.000 2.144 127 D HA -0.141 4.499 4.640 0.000 0.000 0.200 127 D C 2.018 178.283 176.300 -0.057 0.000 0.978 127 D CA 1.610 55.572 54.000 -0.063 0.000 0.833 127 D CB -0.175 40.589 40.800 -0.060 0.000 0.961 127 D HN 0.362 nan 8.370 nan 0.000 0.470 128 T N 0.934 115.452 114.554 -0.060 0.000 2.684 128 T HA -0.115 4.236 4.350 0.000 0.000 0.267 128 T C 2.314 176.988 174.700 -0.043 0.000 1.036 128 T CA 1.015 63.082 62.100 -0.056 0.000 1.148 128 T CB -0.416 68.369 68.868 -0.138 0.000 0.863 128 T HN -0.012 nan 8.240 nan 0.000 0.436 129 V N 2.340 122.235 119.914 -0.032 0.000 2.307 129 V HA -0.163 3.957 4.120 0.000 0.000 0.245 129 V C 2.495 178.557 176.094 -0.054 0.000 1.045 129 V CA 1.557 63.844 62.300 -0.021 0.000 1.024 129 V CB -0.660 31.132 31.823 -0.053 0.000 0.651 129 V HN 0.408 nan 8.190 nan 0.000 0.449 130 N N 0.346 118.999 118.700 -0.079 0.000 2.120 130 N HA -0.137 4.604 4.740 0.000 0.000 0.188 130 N C 1.994 177.478 175.510 -0.044 0.000 1.024 130 N CA 1.450 54.459 53.050 -0.067 0.000 0.852 130 N CB -0.347 38.096 38.487 -0.074 0.000 1.003 130 N HN 0.473 nan 8.380 nan 0.000 0.424 131 R N 0.115 120.584 120.500 -0.051 0.000 2.092 131 R HA -0.016 4.324 4.340 0.000 0.000 0.231 131 R C 2.078 178.340 176.300 -0.064 0.000 1.119 131 R CA 0.574 56.646 56.100 -0.046 0.000 0.970 131 R CB -0.432 29.844 30.300 -0.040 0.000 0.864 131 R HN 0.125 nan 8.270 nan 0.000 0.440 132 L N -0.415 120.736 121.223 -0.121 0.000 2.046 132 L HA -0.156 4.184 4.340 0.000 0.000 0.208 132 L C 1.198 177.921 176.870 -0.246 0.000 1.077 132 L CA 1.813 56.510 54.840 -0.240 0.000 0.747 132 L CB -0.117 41.692 42.059 -0.417 0.000 0.896 132 L HN 0.110 nan 8.230 nan 0.000 0.432 133 Y N -0.455 119.842 120.300 -0.004 0.000 2.467 133 Y HA 0.454 5.004 4.550 0.000 0.000 0.250 133 Y C 1.688 177.568 175.900 -0.034 0.000 1.155 133 Y CA -0.272 57.818 58.100 -0.017 0.000 1.249 133 Y CB -0.164 38.264 38.460 -0.053 0.000 1.146 133 Y HN 0.182 nan 8.280 nan 0.000 0.524 134 G N 1.151 109.998 108.800 0.079 0.000 2.221 134 G HA2 -0.277 3.683 3.960 0.000 0.000 0.265 134 G HA3 -0.277 3.683 3.960 0.000 0.000 0.265 134 G C -0.124 174.787 174.900 0.018 0.000 1.041 134 G CA 0.180 45.301 45.100 0.035 0.000 0.807 134 G HN 0.269 nan 8.290 nan 0.000 0.502 135 L N -0.677 120.548 121.223 0.002 0.000 2.400 135 L HA 0.534 4.874 4.340 0.000 0.000 0.264 135 L C 0.806 177.643 176.870 -0.057 0.000 1.061 135 L CA -1.047 53.764 54.840 -0.047 0.000 0.799 135 L CB 0.878 42.866 42.059 -0.118 0.000 1.240 135 L HN 0.089 nan 8.230 nan 0.000 0.461 136 N N 1.785 120.448 118.700 -0.063 0.000 2.553 136 N HA 0.280 5.020 4.740 0.000 0.000 0.298 136 N C -0.705 174.768 175.510 -0.062 0.000 1.596 136 N CA -0.137 52.880 53.050 -0.054 0.000 0.910 136 N CB 0.734 39.201 38.487 -0.033 0.000 1.336 136 N HN 0.388 nan 8.380 nan 0.000 0.497 137 L N 1.161 122.326 121.223 -0.096 0.000 2.483 137 L HA 0.102 4.442 4.340 0.000 0.000 0.275 137 L C 1.602 178.427 176.870 -0.075 0.000 1.220 137 L CA 0.164 54.947 54.840 -0.095 0.000 0.833 137 L CB 0.095 42.055 42.059 -0.165 0.000 1.102 137 L HN 0.168 nan 8.230 nan 0.000 0.490 138 T N -1.737 112.795 114.554 -0.036 0.000 2.824 138 T HA 0.131 4.481 4.350 0.000 0.000 0.277 138 T C 1.151 175.774 174.700 -0.128 0.000 0.975 138 T CA -0.537 61.539 62.100 -0.040 0.000 0.966 138 T CB 1.371 70.297 68.868 0.097 0.000 1.054 138 T HN 0.524 nan 8.240 nan 0.000 0.533 139 S N 0.033 115.567 115.700 -0.277 0.000 2.383 139 S HA -0.037 4.433 4.470 0.000 0.000 0.229 139 S C 1.524 175.924 174.600 -0.333 0.000 1.030 139 S CA 1.239 59.216 58.200 -0.372 0.000 1.002 139 S CB -0.790 62.085 63.200 -0.541 0.000 0.829 139 S HN 0.649 nan 8.310 nan 0.000 0.467 140 F N 1.646 121.578 119.950 -0.030 0.000 2.146 140 F HA -0.079 4.448 4.527 0.000 0.000 0.298 140 F C 2.590 178.374 175.800 -0.026 0.000 1.096 140 F CA 0.863 58.850 58.000 -0.021 0.000 1.275 140 F CB -0.806 38.184 39.000 -0.017 0.000 1.008 140 F HN 0.204 nan 8.300 nan 0.000 0.480 141 Q N -0.374 119.499 119.800 0.121 0.000 2.172 141 Q HA -0.096 4.245 4.340 0.000 0.000 0.200 141 Q C 2.422 178.410 176.000 -0.020 0.000 0.964 141 Q CA 1.042 56.875 55.803 0.050 0.000 0.855 141 Q CB -0.393 28.361 28.738 0.027 0.000 0.918 141 Q HN 0.337 nan 8.270 nan 0.000 0.444 142 V N 0.990 120.836 119.914 -0.113 0.000 2.626 142 V HA -0.246 3.874 4.120 0.000 0.000 0.252 142 V C 2.070 177.982 176.094 -0.302 0.000 1.067 142 V CA 1.928 64.060 62.300 -0.281 0.000 1.081 142 V CB -0.072 31.521 31.823 -0.384 0.000 0.686 142 V HN 0.388 nan 8.190 nan 0.000 0.468 143 E N -0.053 120.100 120.200 -0.079 0.000 2.051 143 E HA -0.263 4.087 4.350 0.000 0.000 0.192 143 E C 2.066 178.717 176.600 0.086 0.000 0.991 143 E CA 1.825 58.264 56.400 0.065 0.000 0.799 143 E CB -0.179 29.575 29.700 0.089 0.000 0.748 143 E HN 0.766 nan 8.360 nan 0.000 0.449 144 E N -0.125 120.112 120.200 0.062 0.000 2.058 144 E HA -0.207 4.143 4.350 0.000 0.000 0.194 144 E C 1.887 178.525 176.600 0.064 0.000 0.997 144 E CA 1.293 57.731 56.400 0.063 0.000 0.801 144 E CB -0.335 29.401 29.700 0.060 0.000 0.746 144 E HN 0.317 nan 8.360 nan 0.000 0.450 145 F N 0.929 120.819 119.950 -0.101 0.000 2.091 145 F HA -0.273 4.254 4.527 0.000 0.000 0.299 145 F C 1.828 177.620 175.800 -0.014 0.000 1.103 145 F CA 1.406 59.337 58.000 -0.115 0.000 1.228 145 F CB -0.171 38.695 39.000 -0.224 0.000 0.984 145 F HN -0.078 nan 8.300 nan 0.000 0.477 146 F N 0.886 120.886 119.950 0.084 0.000 2.069 146 F HA -0.147 4.381 4.527 0.000 0.000 0.298 146 F C 2.721 178.451 175.800 -0.117 0.000 1.113 146 F CA 1.021 59.000 58.000 -0.035 0.000 1.214 146 F CB -1.793 37.242 39.000 0.058 0.000 0.978 146 F HN 0.089 nan 8.300 nan 0.000 0.474 147 A N 0.043 122.943 122.820 0.133 0.000 1.917 147 A HA -0.263 4.057 4.320 0.000 0.000 0.219 147 A C 2.394 179.955 177.584 -0.039 0.000 1.182 147 A CA 2.530 54.589 52.037 0.037 0.000 0.633 147 A CB -1.315 17.708 19.000 0.038 0.000 0.819 147 A HN 0.446 nan 8.150 nan 0.000 0.448 148 S N -0.464 115.177 115.700 -0.099 0.000 2.447 148 S HA -0.055 4.415 4.470 0.000 0.000 0.233 148 S C 1.472 175.954 174.600 -0.197 0.000 1.006 148 S CA 1.505 59.616 58.200 -0.149 0.000 0.957 148 S CB -0.656 62.439 63.200 -0.175 0.000 0.773 148 S HN 1.062 nan 8.310 nan 0.000 0.507 149 V N -2.177 117.592 119.914 -0.241 0.000 3.635 149 V HA 0.621 4.741 4.120 0.000 0.000 0.266 149 V C 1.086 177.121 176.094 -0.098 0.000 1.316 149 V CA -0.296 61.881 62.300 -0.204 0.000 1.060 149 V CB -1.049 30.590 31.823 -0.307 0.000 0.820 149 V HN 0.562 nan 8.190 nan 0.000 0.447 150 A N 1.300 124.077 122.820 -0.071 0.000 2.531 150 A HA 0.295 4.615 4.320 0.000 0.000 0.236 150 A C 0.327 177.872 177.584 -0.064 0.000 1.062 150 A CA 0.141 52.143 52.037 -0.059 0.000 0.760 150 A CB -0.224 18.749 19.000 -0.045 0.000 0.995 150 A HN 0.651 nan 8.150 nan 0.000 0.501 151 E N 1.418 121.574 120.200 -0.074 0.000 2.266 151 E HA 0.270 4.620 4.350 0.000 0.000 0.277 151 E C -0.546 176.011 176.600 -0.072 0.000 1.018 151 E CA -0.909 55.447 56.400 -0.072 0.000 0.840 151 E CB 0.917 30.566 29.700 -0.086 0.000 1.082 151 E HN 0.402 nan 8.360 nan 0.000 0.395 152 K N 1.596 121.961 120.400 -0.059 0.000 2.234 152 K HA 0.294 4.614 4.320 0.000 0.000 0.282 152 K C -0.394 176.172 176.600 -0.057 0.000 1.039 152 K CA -0.517 55.738 56.287 -0.053 0.000 0.928 152 K CB 1.165 33.641 32.500 -0.041 0.000 1.039 152 K HN 0.403 nan 8.250 nan 0.000 0.470 153 V N -0.419 119.461 119.914 -0.058 0.000 2.567 153 V HA 0.262 4.382 4.120 0.000 0.000 0.298 153 V C 1.025 177.090 176.094 -0.048 0.000 1.047 153 V CA -0.729 61.536 62.300 -0.058 0.000 0.880 153 V CB 1.815 33.594 31.823 -0.074 0.000 1.009 153 V HN 0.826 nan 8.190 nan 0.000 0.429 154 E N 2.473 122.649 120.200 -0.040 0.000 2.058 154 E HA -0.163 4.187 4.350 0.000 0.000 0.194 154 E C 0.558 177.138 176.600 -0.033 0.000 0.997 154 E CA 1.653 58.033 56.400 -0.033 0.000 0.801 154 E CB 0.350 30.034 29.700 -0.028 0.000 0.746 154 E HN 0.835 nan 8.360 nan 0.000 0.450 155 Q N -0.259 119.520 119.800 -0.036 0.000 2.275 155 Q HA 0.240 4.581 4.340 0.000 0.000 0.266 155 Q C -1.730 174.245 176.000 -0.041 0.000 1.002 155 Q CA -0.350 55.432 55.803 -0.034 0.000 0.761 155 Q CB 2.243 30.965 28.738 -0.027 0.000 1.255 155 Q HN -0.088 nan 8.270 nan 0.000 0.446 156 V N 5.632 125.519 119.914 -0.045 0.000 2.439 156 V HA 0.228 4.348 4.120 0.000 0.000 0.271 156 V C 0.684 176.751 176.094 -0.045 0.000 1.040 156 V CA 0.509 62.776 62.300 -0.055 0.000 1.002 156 V CB 0.716 32.501 31.823 -0.062 0.000 1.000 156 V HN 0.819 nan 8.190 nan 0.000 0.477 157 R N 1.952 122.424 120.500 -0.047 0.000 2.492 157 R HA 0.210 4.551 4.340 0.000 0.000 0.219 157 R C 0.521 176.798 176.300 -0.039 0.000 0.886 157 R CA -0.049 56.030 56.100 -0.036 0.000 1.003 157 R CB 0.689 30.971 30.300 -0.029 0.000 1.345 157 R HN 0.597 nan 8.270 nan 0.000 0.631 158 T N -0.509 114.015 114.554 -0.050 0.000 2.940 158 T HA 0.180 4.530 4.350 0.000 0.000 0.288 158 T C 0.838 175.503 174.700 -0.058 0.000 1.033 158 T CA -0.400 61.670 62.100 -0.049 0.000 1.033 158 T CB 2.048 70.888 68.868 -0.047 0.000 1.079 158 T HN -0.116 nan 8.240 nan 0.000 0.496 159 S N 0.777 116.451 115.700 -0.043 0.000 2.469 159 S HA -0.102 4.368 4.470 0.000 0.000 0.238 159 S C 1.849 176.441 174.600 -0.013 0.000 0.998 159 S CA 1.088 59.272 58.200 -0.027 0.000 0.957 159 S CB -0.121 63.078 63.200 -0.001 0.000 0.764 159 S HN 0.767 nan 8.310 nan 0.000 0.514 160 E N 1.079 121.260 120.200 -0.033 0.000 2.033 160 E HA -0.154 4.196 4.350 0.000 0.000 0.189 160 E C 1.182 177.615 176.600 -0.278 0.000 0.979 160 E CA 1.231 57.527 56.400 -0.174 0.000 0.802 160 E CB -0.075 29.518 29.700 -0.178 0.000 0.763 160 E HN 0.319 nan 8.360 nan 0.000 0.449 161 D N 0.923 121.213 120.400 -0.183 0.000 2.133 161 D HA -0.207 4.434 4.640 0.000 0.000 0.192 161 D C 2.175 178.371 176.300 -0.174 0.000 1.001 161 D CA 2.040 55.941 54.000 -0.166 0.000 0.844 161 D CB -0.618 40.115 40.800 -0.111 0.000 0.944 161 D HN 0.353 nan 8.370 nan 0.000 0.447 162 V N -0.858 118.959 119.914 -0.161 0.000 2.407 162 V HA -0.183 3.937 4.120 0.000 0.000 0.248 162 V C 2.307 178.264 176.094 -0.227 0.000 1.055 162 V CA 1.369 63.567 62.300 -0.169 0.000 1.049 162 V CB -0.858 30.873 31.823 -0.152 0.000 0.662 162 V HN 0.068 nan 8.190 nan 0.000 0.455 163 V N -0.613 119.136 119.914 -0.273 0.000 2.426 163 V HA -0.029 4.091 4.120 0.000 0.000 0.242 163 V C 2.630 178.581 176.094 -0.237 0.000 1.036 163 V CA 1.631 63.738 62.300 -0.321 0.000 1.044 163 V CB 0.011 31.639 31.823 -0.325 0.000 0.688 163 V HN 0.382 nan 8.190 nan 0.000 0.462 164 V N 1.314 121.053 119.914 -0.292 0.000 2.594 164 V HA -0.170 3.950 4.120 0.000 0.000 0.253 164 V C 2.571 178.559 176.094 -0.176 0.000 1.069 164 V CA 2.265 64.409 62.300 -0.261 0.000 1.082 164 V CB -0.008 31.573 31.823 -0.403 0.000 0.680 164 V HN 0.770 nan 8.190 nan 0.000 0.469 165 S N -1.986 113.609 115.700 -0.175 0.000 2.562 165 S HA 0.023 4.493 4.470 0.000 0.000 0.221 165 S C 1.686 176.209 174.600 -0.128 0.000 0.975 165 S CA 0.637 58.757 58.200 -0.132 0.000 0.918 165 S CB 0.056 63.184 63.200 -0.119 0.000 0.772 165 S HN 0.628 nan 8.310 nan 0.000 0.531 166 K N 0.572 120.869 120.400 -0.172 0.000 2.273 166 K HA 0.246 4.567 4.320 0.000 0.000 0.206 166 K C 1.536 177.963 176.600 -0.290 0.000 1.072 166 K CA 0.956 57.115 56.287 -0.214 0.000 0.953 166 K CB 0.498 32.839 32.500 -0.265 0.000 1.043 166 K HN 0.333 nan 8.250 nan 0.000 0.477 167 V N -2.672 117.063 119.914 -0.299 0.000 3.477 167 V HA 0.491 4.612 4.120 0.000 0.000 0.297 167 V C 0.488 176.586 176.094 0.006 0.000 1.433 167 V CA 0.038 62.156 62.300 -0.302 0.000 1.052 167 V CB -0.142 31.444 31.823 -0.395 0.000 0.895 167 V HN 0.363 nan 8.190 nan 0.000 0.438 168 G N 1.554 110.340 108.800 -0.022 0.000 2.685 168 G HA2 -0.218 3.742 3.960 0.000 0.000 0.387 168 G HA3 -0.218 3.742 3.960 0.000 0.000 0.387 168 G C 0.126 175.078 174.900 0.087 0.000 1.324 168 G CA 0.391 45.501 45.100 0.017 0.000 0.878 168 G HN 0.636 nan 8.290 nan 0.000 0.527 169 R N -0.224 120.333 120.500 0.096 0.000 2.080 169 R HA 0.106 4.446 4.340 0.000 0.000 0.222 169 R C 2.108 178.570 176.300 0.271 0.000 1.107 169 R CA 2.178 58.376 56.100 0.164 0.000 0.980 169 R CB -0.722 29.635 30.300 0.095 0.000 0.879 169 R HN 0.615 nan 8.270 nan 0.000 0.439 170 D N -0.287 120.256 120.400 0.237 0.000 2.097 170 D HA -0.114 4.526 4.640 0.000 0.000 0.195 170 D C 1.796 178.299 176.300 0.338 0.000 0.989 170 D CA 1.380 55.544 54.000 0.272 0.000 0.827 170 D CB 0.017 40.993 40.800 0.295 0.000 0.966 170 D HN 0.271 nan 8.370 nan 0.000 0.456 171 L N -0.497 120.969 121.223 0.406 0.000 2.056 171 L HA -0.149 4.191 4.340 0.000 0.000 0.207 171 L C 2.295 179.473 176.870 0.514 0.000 1.078 171 L CA 1.106 56.241 54.840 0.493 0.000 0.749 171 L CB -0.676 41.654 42.059 0.452 0.000 0.901 171 L HN 0.204 nan 8.230 nan 0.000 0.433 172 Y N 1.419 121.890 120.300 0.287 0.000 2.114 172 Y HA -0.331 4.220 4.550 0.000 0.000 0.282 172 Y C 2.454 178.523 175.900 0.281 0.000 1.165 172 Y CA 1.943 60.206 58.100 0.273 0.000 1.148 172 Y CB -0.329 38.200 38.460 0.114 0.000 0.972 172 Y HN 0.211 nan 8.280 nan 0.000 0.504 173 N N 0.445 119.230 118.700 0.142 0.000 2.166 173 N HA -0.143 4.597 4.740 0.000 0.000 0.186 173 N C 1.685 177.178 175.510 -0.028 0.000 1.019 173 N CA 1.659 54.701 53.050 -0.014 0.000 0.856 173 N CB -0.283 38.266 38.487 0.103 0.000 0.993 173 N HN 0.456 nan 8.380 nan 0.000 0.426 174 K N -1.040 119.384 120.400 0.040 0.000 2.167 174 K HA 0.061 4.381 4.320 0.000 0.000 0.203 174 K C 1.012 177.393 176.600 -0.365 0.000 1.052 174 K CA 0.841 57.029 56.287 -0.165 0.000 0.956 174 K CB 0.090 32.462 32.500 -0.212 0.000 0.735 174 K HN 0.126 nan 8.250 nan 0.000 0.451 175 F N -2.363 117.570 119.950 -0.028 0.000 2.637 175 F HA 0.193 4.720 4.527 0.000 0.000 0.284 175 F C 1.268 176.861 175.800 -0.345 0.000 1.105 175 F CA 0.026 57.909 58.000 -0.195 0.000 1.356 175 F CB 0.419 39.264 39.000 -0.260 0.000 1.096 175 F HN -0.128 nan 8.300 nan 0.000 0.616 176 F N -0.830 119.152 119.950 0.054 0.000 2.592 176 F HA 0.258 4.785 4.527 0.000 0.000 0.280 176 F C 2.335 178.066 175.800 -0.116 0.000 1.083 176 F CA 0.077 58.072 58.000 -0.007 0.000 1.365 176 F CB -0.286 38.729 39.000 0.024 0.000 1.100 176 F HN -0.365 nan 8.300 nan 0.000 0.633 177 R N 0.776 121.132 120.500 -0.240 0.000 2.070 177 R HA -0.095 4.245 4.340 0.000 0.000 0.233 177 R C 2.355 178.638 176.300 -0.029 0.000 1.137 177 R CA 1.786 57.703 56.100 -0.305 0.000 0.945 177 R CB -0.951 29.029 30.300 -0.533 0.000 0.845 177 R HN 0.368 nan 8.270 nan 0.000 0.430 178 G N -0.544 108.247 108.800 -0.015 0.000 2.402 178 G HA2 -0.324 3.636 3.960 0.000 0.000 0.216 178 G HA3 -0.324 3.636 3.960 0.000 0.000 0.216 178 G C 1.338 176.287 174.900 0.080 0.000 1.162 178 G CA 0.740 45.854 45.100 0.023 0.000 0.777 178 G HN 0.482 nan 8.290 nan 0.000 0.539 179 Y N 1.738 122.037 120.300 -0.002 0.000 2.145 179 Y HA -0.179 4.371 4.550 0.000 0.000 0.286 179 Y C 3.158 179.117 175.900 0.097 0.000 1.145 179 Y CA 2.289 60.405 58.100 0.027 0.000 1.148 179 Y CB -0.196 38.264 38.460 0.001 0.000 0.981 179 Y HN 0.209 nan 8.280 nan 0.000 0.507 180 T N 0.472 115.281 114.554 0.425 0.000 2.746 180 T HA -0.169 4.181 4.350 0.000 0.000 0.267 180 T C 1.809 176.721 174.700 0.354 0.000 1.039 180 T CA 1.726 64.119 62.100 0.488 0.000 1.142 180 T CB -0.229 68.896 68.868 0.429 0.000 0.866 180 T HN 0.340 nan 8.240 nan 0.000 0.444 181 R N 0.758 121.378 120.500 0.200 0.000 2.092 181 R HA -0.001 4.339 4.340 0.000 0.000 0.231 181 R C 2.548 178.897 176.300 0.082 0.000 1.119 181 R CA 1.199 57.384 56.100 0.142 0.000 0.970 181 R CB -0.140 30.212 30.300 0.087 0.000 0.864 181 R HN 0.323 nan 8.270 nan 0.000 0.440 182 K N 0.705 121.107 120.400 0.004 0.000 2.031 182 K HA -0.218 4.102 4.320 0.000 0.000 0.205 182 K C 2.245 178.755 176.600 -0.151 0.000 1.049 182 K CA 1.502 57.738 56.287 -0.085 0.000 0.939 182 K CB 0.084 32.491 32.500 -0.155 0.000 0.717 182 K HN -0.080 nan 8.250 nan 0.000 0.438 183 Q N -0.397 119.257 119.800 -0.245 0.000 2.084 183 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 183 Q C 1.058 176.755 176.000 -0.505 0.000 0.978 183 Q CA 2.099 57.626 55.803 -0.460 0.000 0.844 183 Q CB -0.190 28.206 28.738 -0.570 0.000 0.898 183 Q HN 0.483 nan 8.270 nan 0.000 0.426 184 W N -1.519 119.746 121.300 -0.058 0.000 2.993 184 W HA 0.431 5.091 4.660 0.000 0.000 0.290 184 W C 1.092 177.609 176.519 -0.004 0.000 1.203 184 W CA 0.140 57.465 57.345 -0.034 0.000 1.582 184 W CB 0.373 29.837 29.460 0.006 0.000 1.033 184 W HN 0.254 nan 8.180 nan 0.000 0.594 185 G N 1.175 110.088 108.800 0.189 0.000 2.198 185 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 185 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 185 G C -0.608 174.383 174.900 0.151 0.000 1.025 185 G CA 0.120 45.299 45.100 0.132 0.000 0.769 185 G HN 0.077 nan 8.290 nan 0.000 0.507 186 L N -0.234 121.106 121.223 0.194 0.000 2.424 186 L HA 0.567 4.907 4.340 0.000 0.000 0.258 186 L C -0.107 176.848 176.870 0.140 0.000 0.995 186 L CA -1.439 53.488 54.840 0.145 0.000 0.821 186 L CB 1.706 43.839 42.059 0.123 0.000 1.383 186 L HN 0.249 nan 8.230 nan 0.000 0.410 187 D N 2.315 122.779 120.400 0.106 0.000 2.344 187 D HA 0.189 4.829 4.640 0.000 0.000 0.244 187 D C -1.807 174.560 176.300 0.111 0.000 1.134 187 D CA -1.382 52.690 54.000 0.119 0.000 0.930 187 D CB 2.439 43.303 40.800 0.107 0.000 1.175 187 D HN 0.247 nan 8.370 nan 0.000 0.437 188 P HA -0.108 nan 4.420 nan 0.000 0.222 188 P C 1.225 178.570 177.300 0.075 0.000 1.147 188 P CA 0.980 64.167 63.100 0.146 0.000 0.790 188 P CB 0.085 31.973 31.700 0.313 0.000 0.780 189 S N -0.716 115.032 115.700 0.079 0.000 2.481 189 S HA -0.090 4.380 4.470 0.000 0.000 0.231 189 S C 1.373 175.980 174.600 0.011 0.000 0.996 189 S CA 0.811 59.029 58.200 0.029 0.000 0.942 189 S CB -0.880 62.338 63.200 0.031 0.000 0.768 189 S HN 0.274 nan 8.310 nan 0.000 0.520 190 E N 0.492 120.701 120.200 0.014 0.000 2.451 190 E HA 0.391 4.741 4.350 0.000 0.000 0.194 190 E C -0.532 176.045 176.600 -0.038 0.000 1.027 190 E CA -0.131 56.269 56.400 0.000 0.000 0.914 190 E CB 0.229 29.942 29.700 0.021 0.000 1.054 190 E HN 0.492 nan 8.360 nan 0.000 0.461 191 L N 0.240 121.424 121.223 -0.066 0.000 2.354 191 L HA 0.348 4.688 4.340 0.000 0.000 0.264 191 L C -0.288 176.529 176.870 -0.089 0.000 1.008 191 L CA -1.176 53.585 54.840 -0.132 0.000 0.819 191 L CB 2.080 43.979 42.059 -0.267 0.000 1.339 191 L HN -0.130 nan 8.230 nan 0.000 0.420 192 D N 0.473 120.821 120.400 -0.087 0.000 2.423 192 D HA 0.183 4.824 4.640 0.000 0.000 0.238 192 D C 1.027 177.298 176.300 -0.048 0.000 1.142 192 D CA 0.719 54.690 54.000 -0.049 0.000 0.884 192 D CB 1.578 42.362 40.800 -0.026 0.000 1.199 192 D HN 0.620 nan 8.370 nan 0.000 0.438 193 A N 2.403 125.200 122.820 -0.038 0.000 1.997 193 A HA -0.268 4.052 4.320 0.000 0.000 0.221 193 A C 2.154 179.720 177.584 -0.030 0.000 1.172 193 A CA 2.365 54.377 52.037 -0.041 0.000 0.645 193 A CB -1.089 17.885 19.000 -0.043 0.000 0.813 193 A HN 0.669 nan 8.150 nan 0.000 0.454 194 S N -0.681 115.011 115.700 -0.013 0.000 2.440 194 S HA -0.111 4.359 4.470 0.000 0.000 0.238 194 S C 1.673 176.281 174.600 0.013 0.000 1.010 194 S CA 1.402 59.604 58.200 0.003 0.000 0.972 194 S CB -0.817 62.399 63.200 0.027 0.000 0.774 194 S HN 0.289 nan 8.310 nan 0.000 0.501 195 V N 2.850 122.780 119.914 0.026 0.000 2.231 195 V HA -0.122 3.998 4.120 0.000 0.000 0.240 195 V C 3.177 179.352 176.094 0.135 0.000 1.039 195 V CA 2.145 64.506 62.300 0.102 0.000 0.998 195 V CB -1.537 30.280 31.823 -0.010 0.000 0.639 195 V HN 0.830 nan 8.190 nan 0.000 0.451 196 T N -1.060 113.554 114.554 0.099 0.000 3.035 196 T HA 0.019 4.369 4.350 0.000 0.000 0.268 196 T C 1.729 176.435 174.700 0.010 0.000 1.109 196 T CA 1.073 63.244 62.100 0.118 0.000 1.119 196 T CB -0.321 68.568 68.868 0.035 0.000 0.900 196 T HN 0.426 nan 8.240 nan 0.000 0.503 197 A N 1.751 124.555 122.820 -0.026 0.000 2.178 197 A HA 0.028 4.348 4.320 0.000 0.000 0.218 197 A C 2.492 180.056 177.584 -0.033 0.000 1.157 197 A CA 0.853 52.859 52.037 -0.053 0.000 0.689 197 A CB -0.659 18.311 19.000 -0.049 0.000 0.787 197 A HN 0.547 nan 8.150 nan 0.000 0.465 198 R N -0.759 119.740 120.500 -0.002 0.000 2.105 198 R HA -0.058 4.282 4.340 0.000 0.000 0.239 198 R C -0.073 176.201 176.300 -0.042 0.000 1.135 198 R CA 1.197 57.289 56.100 -0.014 0.000 0.967 198 R CB -0.232 30.065 30.300 -0.004 0.000 0.861 198 R HN 0.315 nan 8.270 nan 0.000 0.442 199 V N 4.195 124.104 119.914 -0.008 0.000 2.270 199 V HA 0.178 4.298 4.120 0.000 0.000 0.263 199 V C -1.909 174.154 176.094 -0.050 0.000 1.066 199 V CA -1.724 60.531 62.300 -0.075 0.000 0.857 199 V CB 0.600 32.457 31.823 0.056 0.000 1.099 199 V HN 0.117 nan 8.190 nan 0.000 0.476 200 P HA 0.168 nan 4.420 nan 0.000 0.272 200 P C -0.035 177.197 177.300 -0.113 0.000 1.223 200 P CA 0.083 63.116 63.100 -0.111 0.000 0.784 200 P CB 1.003 32.636 31.700 -0.111 0.000 0.923 201 T N 2.674 117.149 114.554 -0.131 0.000 2.907 201 T HA 0.414 4.764 4.350 0.000 0.000 0.284 201 T C 0.242 174.883 174.700 -0.099 0.000 1.004 201 T CA -0.426 61.585 62.100 -0.149 0.000 1.063 201 T CB 0.529 69.231 68.868 -0.278 0.000 0.992 201 T HN 0.342 nan 8.240 nan 0.000 0.483 202 R N 0.526 121.002 120.500 -0.039 0.000 2.807 202 R HA 0.482 4.822 4.340 0.000 0.000 0.276 202 R C 0.878 177.257 176.300 0.132 0.000 0.979 202 R CA -0.687 55.421 56.100 0.012 0.000 0.928 202 R CB 1.329 31.606 30.300 -0.038 0.000 1.191 202 R HN 0.726 nan 8.270 nan 0.000 0.471 203 T N -2.947 111.663 114.554 0.093 0.000 3.054 203 T HA 0.030 4.380 4.350 0.000 0.000 0.255 203 T C 0.587 175.257 174.700 -0.050 0.000 1.035 203 T CA -0.210 61.932 62.100 0.070 0.000 0.941 203 T CB -0.291 68.609 68.868 0.054 0.000 1.026 203 T HN 0.584 nan 8.240 nan 0.000 0.533 204 N N 1.773 120.438 118.700 -0.058 0.000 2.620 204 N HA 0.314 5.055 4.740 0.000 0.000 0.307 204 N C 0.365 175.826 175.510 -0.082 0.000 1.316 204 N CA -1.069 51.923 53.050 -0.095 0.000 0.931 204 N CB 0.433 38.866 38.487 -0.090 0.000 1.116 204 N HN 0.097 nan 8.380 nan 0.000 0.573 205 R N -1.713 118.736 120.500 -0.085 0.000 2.577 205 R HA 0.215 4.556 4.340 0.000 0.000 0.344 205 R C -0.773 175.482 176.300 -0.074 0.000 1.037 205 R CA -0.490 55.564 56.100 -0.077 0.000 1.102 205 R CB -0.107 30.148 30.300 -0.076 0.000 1.313 205 R HN 0.534 nan 8.270 nan 0.000 0.561 206 D N 2.438 122.792 120.400 -0.077 0.000 2.382 206 D HA -0.049 4.591 4.640 0.000 0.000 0.259 206 D C 0.532 176.777 176.300 -0.091 0.000 1.224 206 D CA 0.231 54.182 54.000 -0.081 0.000 0.894 206 D CB 0.708 41.459 40.800 -0.083 0.000 1.127 206 D HN 0.212 nan 8.370 nan 0.000 0.487 207 N N 2.999 121.644 118.700 -0.091 0.000 2.270 207 N HA -0.017 4.723 4.740 0.000 0.000 0.198 207 N C 0.008 175.448 175.510 -0.117 0.000 1.117 207 N CA -0.265 52.724 53.050 -0.101 0.000 0.845 207 N CB 0.051 38.483 38.487 -0.092 0.000 0.980 207 N HN 0.157 nan 8.380 nan 0.000 0.486 208 R N -0.163 120.266 120.500 -0.118 0.000 2.594 208 R HA 0.062 4.403 4.340 0.000 0.000 0.272 208 R C 0.415 176.610 176.300 -0.174 0.000 1.074 208 R CA -0.398 55.623 56.100 -0.132 0.000 1.105 208 R CB 0.314 30.553 30.300 -0.101 0.000 1.008 208 R HN 0.043 nan 8.270 nan 0.000 0.472 209 Y N 1.406 121.448 120.300 -0.430 0.000 2.352 209 Y HA 0.030 4.580 4.550 0.000 0.000 0.292 209 Y C -0.227 175.191 175.900 -0.803 0.000 1.136 209 Y CA 1.089 58.783 58.100 -0.677 0.000 1.227 209 Y CB 0.364 38.274 38.460 -0.916 0.000 0.991 209 Y HN 0.376 nan 8.280 nan 0.000 0.545 210 F N -1.983 117.891 119.950 -0.128 0.000 2.551 210 F HA 0.542 5.069 4.527 0.000 0.000 0.316 210 F C 0.578 176.275 175.800 -0.173 0.000 1.089 210 F CA -0.745 57.116 58.000 -0.232 0.000 0.915 210 F CB 1.612 40.403 39.000 -0.349 0.000 1.186 210 F HN -0.241 nan 8.300 nan 0.000 0.456 211 A N 0.833 123.670 122.820 0.029 0.000 2.423 211 A HA 0.229 4.549 4.320 0.000 0.000 0.246 211 A C -0.176 177.382 177.584 -0.043 0.000 1.278 211 A CA -0.305 51.714 52.037 -0.030 0.000 0.903 211 A CB -0.707 18.259 19.000 -0.057 0.000 0.997 211 A HN 0.708 nan 8.150 nan 0.000 0.510 212 D N -0.025 120.365 120.400 -0.017 0.000 2.443 212 D HA 0.144 4.784 4.640 0.000 0.000 0.234 212 D C 1.292 177.496 176.300 -0.160 0.000 1.172 212 D CA 0.770 54.730 54.000 -0.067 0.000 0.878 212 D CB 0.626 41.405 40.800 -0.034 0.000 1.204 212 D HN 0.127 nan 8.370 nan 0.000 0.453 213 T N 0.466 114.859 114.554 -0.269 0.000 2.777 213 T HA -0.139 4.211 4.350 0.000 0.000 0.266 213 T C 0.300 174.552 174.700 -0.748 0.000 1.040 213 T CA 1.199 62.970 62.100 -0.549 0.000 1.141 213 T CB -0.226 68.164 68.868 -0.797 0.000 0.868 213 T HN 0.354 nan 8.240 nan 0.000 0.444 214 Y N 1.548 121.670 120.300 -0.297 0.000 2.402 214 Y HA 0.509 5.060 4.550 0.000 0.000 0.332 214 Y C 0.113 175.837 175.900 -0.294 0.000 0.960 214 Y CA -1.011 56.793 58.100 -0.494 0.000 1.228 214 Y CB 0.812 38.740 38.460 -0.887 0.000 1.120 214 Y HN 0.003 nan 8.280 nan 0.000 0.491 215 Q N 3.005 122.760 119.800 -0.076 0.000 2.303 215 Q HA 0.853 5.193 4.340 0.000 0.000 0.267 215 Q C -1.203 174.907 176.000 0.182 0.000 1.011 215 Q CA -0.887 54.963 55.803 0.078 0.000 0.740 215 Q CB 2.408 31.182 28.738 0.060 0.000 1.250 215 Q HN 0.781 nan 8.270 nan 0.000 0.458 216 A N 2.771 125.810 122.820 0.366 0.000 2.599 216 A HA 0.713 5.033 4.320 0.000 0.000 0.294 216 A C -1.520 176.479 177.584 0.690 0.000 1.055 216 A CA -0.743 51.583 52.037 0.481 0.000 0.683 216 A CB 1.511 20.754 19.000 0.405 0.000 1.278 216 A HN 0.525 nan 8.150 nan 0.000 0.412 217 M N 1.317 121.262 119.600 0.575 0.000 2.472 217 M HA 0.411 4.892 4.480 0.000 0.000 0.331 217 M C -2.575 173.828 176.300 0.172 0.000 1.170 217 M CA -2.459 53.064 55.300 0.372 0.000 1.009 217 M CB 0.847 33.560 32.600 0.187 0.000 1.672 217 M HN 0.299 nan 8.290 nan 0.000 0.453 218 P HA -0.024 nan 4.420 nan 0.000 0.261 218 P C 0.865 177.922 177.300 -0.405 0.000 1.183 218 P CA -0.071 62.682 63.100 -0.578 0.000 0.761 218 P CB 0.296 31.567 31.700 -0.716 0.000 0.785 219 L N 4.566 125.515 121.223 -0.456 0.000 2.043 219 L HA -0.187 4.153 4.340 0.000 0.000 0.212 219 L C 1.350 177.887 176.870 -0.555 0.000 1.075 219 L CA 2.117 56.662 54.840 -0.490 0.000 0.752 219 L CB -0.807 40.861 42.059 -0.652 0.000 0.891 219 L HN 0.470 nan 8.230 nan 0.000 0.432 220 H N -0.642 118.327 119.070 -0.168 0.000 2.486 220 H HA 0.541 5.097 4.556 0.000 0.000 0.284 220 H C 0.853 176.096 175.328 -0.142 0.000 1.103 220 H CA 0.369 56.351 56.048 -0.110 0.000 1.089 220 H CB -0.401 29.314 29.762 -0.077 0.000 1.603 220 H HN 0.355 nan 8.280 nan 0.000 0.557 221 G N 0.012 108.708 108.800 -0.173 0.000 2.707 221 G HA2 -0.267 3.694 3.960 0.000 0.000 0.686 221 G HA3 -0.267 3.694 3.960 0.000 0.000 0.686 221 G C 0.114 174.862 174.900 -0.254 0.000 1.315 221 G CA -0.436 44.527 45.100 -0.227 0.000 0.832 221 G HN 0.267 nan 8.290 nan 0.000 0.573 222 Y N 0.269 120.504 120.300 -0.109 0.000 2.200 222 Y HA -0.074 4.476 4.550 0.000 0.000 0.290 222 Y C 3.413 179.343 175.900 0.051 0.000 1.137 222 Y CA 2.310 60.370 58.100 -0.067 0.000 1.163 222 Y CB -0.418 38.046 38.460 0.008 0.000 0.988 222 Y HN 0.644 nan 8.280 nan 0.000 0.518 223 T N 0.195 114.856 114.554 0.179 0.000 2.720 223 T HA -0.187 4.163 4.350 0.000 0.000 0.268 223 T C 1.970 176.740 174.700 0.117 0.000 1.037 223 T CA 1.297 63.501 62.100 0.173 0.000 1.144 223 T CB -0.157 68.732 68.868 0.035 0.000 0.864 223 T HN 0.231 nan 8.240 nan 0.000 0.444 224 R N 0.613 121.132 120.500 0.033 0.000 2.081 224 R HA 0.038 4.378 4.340 0.000 0.000 0.235 224 R C 2.472 178.746 176.300 -0.044 0.000 1.131 224 R CA 1.056 57.157 56.100 0.001 0.000 0.960 224 R CB -0.759 29.543 30.300 0.003 0.000 0.856 224 R HN 0.469 nan 8.270 nan 0.000 0.436 225 M N -0.105 119.426 119.600 -0.115 0.000 2.080 225 M HA -0.175 4.305 4.480 0.000 0.000 0.260 225 M C 1.783 177.925 176.300 -0.264 0.000 1.068 225 M CA 1.858 57.017 55.300 -0.235 0.000 1.109 225 M CB -0.220 32.146 32.600 -0.389 0.000 1.342 225 M HN -0.017 nan 8.290 nan 0.000 0.405 226 F N 0.700 120.542 119.950 -0.180 0.000 2.171 226 F HA -0.252 4.275 4.527 0.000 0.000 0.300 226 F C 2.555 178.245 175.800 -0.184 0.000 1.090 226 F CA 1.697 59.561 58.000 -0.227 0.000 1.293 226 F CB -0.455 38.421 39.000 -0.207 0.000 1.013 226 F HN 0.293 nan 8.300 nan 0.000 0.486 227 Q N -0.009 119.826 119.800 0.057 0.000 2.084 227 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 227 Q C 1.943 177.925 176.000 -0.031 0.000 0.978 227 Q CA 1.492 57.302 55.803 0.011 0.000 0.844 227 Q CB -0.271 28.477 28.738 0.017 0.000 0.898 227 Q HN 0.377 nan 8.270 nan 0.000 0.426 228 N N 0.456 119.129 118.700 -0.045 0.000 2.120 228 N HA -0.151 4.589 4.740 0.000 0.000 0.188 228 N C 1.589 177.044 175.510 -0.091 0.000 1.024 228 N CA 1.114 54.158 53.050 -0.011 0.000 0.852 228 N CB -0.221 38.305 38.487 0.065 0.000 1.003 228 N HN 0.239 nan 8.380 nan 0.000 0.424 229 M N 0.185 119.572 119.600 -0.355 0.000 2.159 229 M HA -0.033 4.447 4.480 0.000 0.000 0.263 229 M C 0.989 177.096 176.300 -0.322 0.000 1.063 229 M CA 1.289 56.161 55.300 -0.714 0.000 1.110 229 M CB 0.137 32.252 32.600 -0.808 0.000 1.374 229 M HN 0.030 nan 8.290 nan 0.000 0.411 230 L N -0.564 120.562 121.223 -0.162 0.000 2.653 230 L HA 0.101 4.442 4.340 0.000 0.000 0.231 230 L C 1.966 178.803 176.870 -0.055 0.000 1.153 230 L CA 0.001 54.785 54.840 -0.094 0.000 0.933 230 L CB -0.311 41.709 42.059 -0.065 0.000 1.175 230 L HN 0.356 nan 8.230 nan 0.000 0.473 231 S N -1.995 113.680 115.700 -0.042 0.000 2.489 231 S HA -0.060 4.411 4.470 0.000 0.000 0.228 231 S C 1.182 175.782 174.600 0.001 0.000 0.995 231 S CA -0.049 58.143 58.200 -0.013 0.000 0.934 231 S CB -0.105 63.095 63.200 0.000 0.000 0.771 231 S HN 0.328 nan 8.310 nan 0.000 0.522 232 S N 3.084 118.786 115.700 0.002 0.000 2.558 232 S HA 0.143 4.613 4.470 0.000 0.000 0.293 232 S C -1.499 173.115 174.600 0.024 0.000 1.292 232 S CA -0.976 57.235 58.200 0.018 0.000 1.063 232 S CB 0.530 63.742 63.200 0.020 0.000 0.831 232 S HN 0.163 nan 8.310 nan 0.000 0.499 233 P HA -0.047 nan 4.420 nan 0.000 0.221 233 P C 0.480 177.814 177.300 0.056 0.000 1.145 233 P CA 0.913 64.037 63.100 0.039 0.000 0.795 233 P CB 0.006 31.727 31.700 0.035 0.000 0.775 234 N N -0.866 117.870 118.700 0.060 0.000 2.461 234 N HA 0.065 4.805 4.740 0.000 0.000 0.188 234 N C 0.329 175.898 175.510 0.098 0.000 1.134 234 N CA 0.394 53.496 53.050 0.088 0.000 0.878 234 N CB -0.107 38.431 38.487 0.086 0.000 0.972 234 N HN 0.260 nan 8.380 nan 0.000 0.456 235 I N 1.176 121.783 120.570 0.060 0.000 2.362 235 I HA 0.198 4.368 4.170 0.000 0.000 0.289 235 I C -0.323 175.810 176.117 0.027 0.000 0.994 235 I CA -0.784 60.534 61.300 0.030 0.000 1.158 235 I CB 1.244 39.236 38.000 -0.014 0.000 1.315 235 I HN -0.368 nan 8.210 nan 0.000 0.451 236 K N 6.109 126.515 120.400 0.011 0.000 2.182 236 K HA 0.607 4.927 4.320 0.000 0.000 0.262 236 K C -0.865 175.685 176.600 -0.082 0.000 0.957 236 K CA -0.748 55.538 56.287 -0.002 0.000 0.842 236 K CB 2.484 35.023 32.500 0.064 0.000 1.099 236 K HN 0.234 nan 8.250 nan 0.000 0.438 237 V N 3.585 123.462 119.914 -0.062 0.000 2.417 237 V HA 0.446 4.567 4.120 0.000 0.000 0.291 237 V C -0.244 175.800 176.094 -0.083 0.000 1.024 237 V CA -0.785 61.462 62.300 -0.088 0.000 0.861 237 V CB 1.507 33.285 31.823 -0.075 0.000 0.985 237 V HN 0.726 nan 8.190 nan 0.000 0.436 238 M N 6.175 125.710 119.600 -0.109 0.000 2.085 238 M HA 0.584 5.064 4.480 0.000 0.000 0.309 238 M C -1.421 174.816 176.300 -0.105 0.000 0.947 238 M CA -0.216 55.029 55.300 -0.092 0.000 0.918 238 M CB 1.014 33.556 32.600 -0.097 0.000 1.504 238 M HN 0.532 nan 8.290 nan 0.000 0.420 239 L N 3.210 124.377 121.223 -0.094 0.000 2.331 239 L HA 0.506 4.846 4.340 0.000 0.000 0.268 239 L C 0.771 177.581 176.870 -0.100 0.000 1.015 239 L CA -0.848 53.921 54.840 -0.118 0.000 0.807 239 L CB 1.255 43.241 42.059 -0.120 0.000 1.293 239 L HN 0.924 nan 8.230 nan 0.000 0.451 240 N N -0.125 118.503 118.700 -0.120 0.000 2.725 240 N HA -0.163 4.577 4.740 0.000 0.000 0.249 240 N C -1.043 174.422 175.510 -0.074 0.000 1.103 240 N CA 0.991 53.985 53.050 -0.093 0.000 0.707 240 N CB -0.601 37.847 38.487 -0.066 0.000 1.043 240 N HN 0.745 nan 8.380 nan 0.000 0.553 241 T N 0.206 114.709 114.554 -0.085 0.000 2.937 241 T HA 0.152 4.502 4.350 0.000 0.000 0.297 241 T C -1.123 173.535 174.700 -0.070 0.000 0.991 241 T CA -0.766 61.292 62.100 -0.070 0.000 0.990 241 T CB 1.675 70.503 68.868 -0.067 0.000 0.991 241 T HN 0.128 nan 8.240 nan 0.000 0.440 242 D N 1.854 122.208 120.400 -0.077 0.000 2.308 242 D HA 0.069 4.709 4.640 0.000 0.000 0.251 242 D C 1.123 177.346 176.300 -0.129 0.000 1.127 242 D CA -0.463 53.481 54.000 -0.094 0.000 0.876 242 D CB 0.868 41.585 40.800 -0.138 0.000 1.176 242 D HN 0.698 nan 8.370 nan 0.000 0.446 243 Y N 3.688 123.933 120.300 -0.092 0.000 2.315 243 Y HA -0.113 4.437 4.550 0.001 0.000 0.288 243 Y C 1.969 177.792 175.900 -0.128 0.000 1.154 243 Y CA 0.922 58.946 58.100 -0.127 0.000 1.229 243 Y CB -0.291 38.104 38.460 -0.108 0.000 0.980 243 Y HN 0.302 nan 8.280 nan 0.000 0.540 244 R N 0.764 120.746 120.500 -0.864 0.000 2.148 244 R HA -0.110 4.230 4.340 0.000 0.000 0.227 244 R C 1.843 177.968 176.300 -0.291 0.000 1.103 244 R CA 1.569 57.295 56.100 -0.623 0.000 0.983 244 R CB -0.270 29.642 30.300 -0.648 0.000 0.874 244 R HN 0.564 nan 8.270 nan 0.000 0.451 245 E N 0.246 120.311 120.200 -0.225 0.000 2.418 245 E HA -0.121 4.229 4.350 0.000 0.000 0.197 245 E C 1.182 177.689 176.600 -0.155 0.000 1.026 245 E CA 0.870 57.203 56.400 -0.113 0.000 0.862 245 E CB 0.207 29.869 29.700 -0.062 0.000 0.799 245 E HN 0.446 nan 8.360 nan 0.000 0.518 246 I N -5.125 115.266 120.570 -0.298 0.000 4.592 246 I HA 0.346 4.516 4.170 0.000 0.000 0.329 246 I C 1.792 177.577 176.117 -0.553 0.000 1.309 246 I CA -0.063 60.847 61.300 -0.649 0.000 1.243 246 I CB 0.380 38.136 38.000 -0.407 0.000 1.241 246 I HN -0.161 nan 8.210 nan 0.000 0.434 247 A N 1.020 123.717 122.820 -0.204 0.000 2.125 247 A HA -0.130 4.190 4.320 0.000 0.000 0.219 247 A C 1.684 179.302 177.584 0.057 0.000 1.156 247 A CA 1.996 54.078 52.037 0.075 0.000 0.671 247 A CB -0.733 18.385 19.000 0.195 0.000 0.794 247 A HN 0.464 nan 8.150 nan 0.000 0.459 248 D N -1.105 119.238 120.400 -0.094 0.000 2.234 248 D HA 0.006 4.646 4.640 0.000 0.000 0.205 248 D C 1.254 177.607 176.300 0.088 0.000 0.962 248 D CA 1.426 55.435 54.000 0.014 0.000 0.855 248 D CB -0.112 40.736 40.800 0.080 0.000 0.951 248 D HN 0.740 nan 8.370 nan 0.000 0.500 249 F N -1.523 118.479 119.950 0.085 0.000 2.831 249 F HA 0.399 4.926 4.527 0.000 0.000 0.334 249 F C 0.337 176.201 175.800 0.107 0.000 1.071 249 F CA -0.588 57.455 58.000 0.072 0.000 1.172 249 F CB 0.133 39.162 39.000 0.048 0.000 1.054 249 F HN -0.316 nan 8.300 nan 0.000 0.572 250 I N 4.232 124.793 120.570 -0.015 0.000 2.315 250 I HA 0.340 4.510 4.170 0.000 0.000 0.291 250 I C -2.368 173.924 176.117 0.292 0.000 1.006 250 I CA -2.007 59.409 61.300 0.193 0.000 1.265 250 I CB 0.991 39.084 38.000 0.154 0.000 1.387 250 I HN -0.181 nan 8.210 nan 0.000 0.475 251 P HA 0.278 nan 4.420 nan 0.000 0.276 251 P C -1.076 176.403 177.300 0.297 0.000 1.235 251 P CA 0.025 63.205 63.100 0.134 0.000 0.772 251 P CB 0.315 32.054 31.700 0.064 0.000 0.871 252 F N -0.266 119.740 119.950 0.093 0.000 2.641 252 F HA 0.471 4.998 4.527 0.000 0.000 0.308 252 F C 0.669 176.485 175.800 0.026 0.000 1.105 252 F CA -0.914 57.146 58.000 0.100 0.000 0.964 252 F CB 0.955 40.019 39.000 0.106 0.000 1.294 252 F HN 0.009 nan 8.300 nan 0.000 0.442 253 Q N 0.654 120.529 119.800 0.126 0.000 2.165 253 Q HA 0.075 4.415 4.340 0.000 0.000 0.197 253 Q C -0.350 175.687 176.000 0.062 0.000 0.952 253 Q CA 1.282 57.085 55.803 0.000 0.000 0.848 253 Q CB 0.078 28.793 28.738 -0.039 0.000 0.931 253 Q HN 0.868 nan 8.270 nan 0.000 0.470 254 H N -1.128 117.921 119.070 -0.034 0.000 2.851 254 H HA 0.539 5.095 4.556 0.000 0.000 0.372 254 H C -1.415 174.009 175.328 0.160 0.000 1.158 254 H CA -0.505 55.528 56.048 -0.026 0.000 1.159 254 H CB 1.611 31.176 29.762 -0.327 0.000 1.757 254 H HN -0.039 nan 8.280 nan 0.000 0.546 255 M N 5.479 124.943 119.600 -0.226 0.000 2.364 255 M HA 0.492 4.972 4.480 0.000 0.000 0.334 255 M C -1.580 174.647 176.300 -0.121 0.000 1.107 255 M CA -0.698 54.514 55.300 -0.146 0.000 0.988 255 M CB 0.910 33.398 32.600 -0.187 0.000 1.673 255 M HN 0.595 nan 8.290 nan 0.000 0.441 256 I N 4.902 125.449 120.570 -0.038 0.000 2.355 256 I HA 0.294 4.464 4.170 0.000 0.000 0.288 256 I C -1.612 174.381 176.117 -0.206 0.000 0.999 256 I CA -0.691 60.571 61.300 -0.064 0.000 1.163 256 I CB 1.421 39.440 38.000 0.033 0.000 1.316 256 I HN 0.634 nan 8.210 nan 0.000 0.454 257 Y N 5.617 125.612 120.300 -0.508 0.000 2.341 257 Y HA 0.376 4.927 4.550 0.000 0.000 0.338 257 Y C 0.740 176.411 175.900 -0.381 0.000 0.965 257 Y CA -0.590 57.156 58.100 -0.591 0.000 1.108 257 Y CB 1.783 39.620 38.460 -1.038 0.000 1.180 257 Y HN 0.609 nan 8.280 nan 0.000 0.458 258 T N 1.284 115.321 114.554 -0.862 0.000 3.145 258 T HA 0.409 4.759 4.350 0.000 0.000 0.281 258 T C 0.671 174.966 174.700 -0.675 0.000 1.003 258 T CA 0.139 61.901 62.100 -0.563 0.000 0.901 258 T CB -0.379 68.319 68.868 -0.284 0.000 1.112 258 T HN 0.772 nan 8.240 nan 0.000 0.535 259 G N 2.569 110.563 108.800 -1.343 0.000 2.588 259 G HA2 0.573 4.533 3.960 0.000 0.000 0.278 259 G HA3 0.573 4.533 3.960 0.000 0.000 0.278 259 G C -2.663 172.105 174.900 -0.221 0.000 1.307 259 G CA -1.617 43.060 45.100 -0.704 0.000 1.016 259 G HN 0.227 nan 8.290 nan 0.000 0.503 260 P HA 0.089 nan 4.420 nan 0.000 0.271 260 P C 1.205 178.736 177.300 0.385 0.000 1.216 260 P CA -0.274 62.873 63.100 0.078 0.000 0.776 260 P CB 1.270 32.823 31.700 -0.245 0.000 0.881 261 V N 1.678 121.865 119.914 0.455 0.000 2.427 261 V HA -0.214 3.906 4.120 0.000 0.000 0.248 261 V C 2.080 178.229 176.094 0.091 0.000 1.051 261 V CA 2.246 64.790 62.300 0.406 0.000 1.048 261 V CB -1.626 30.434 31.823 0.394 0.000 0.666 261 V HN 0.483 nan 8.190 nan 0.000 0.456 262 D N 2.442 122.751 120.400 -0.152 0.000 2.117 262 D HA -0.157 4.483 4.640 0.000 0.000 0.197 262 D C 2.025 177.960 176.300 -0.608 0.000 0.987 262 D CA 1.847 55.490 54.000 -0.596 0.000 0.829 262 D CB -0.597 40.077 40.800 -0.211 0.000 0.961 262 D HN 0.449 nan 8.370 nan 0.000 0.460 263 A N 0.001 122.504 122.820 -0.528 0.000 1.930 263 A HA -0.052 4.268 4.320 0.000 0.000 0.217 263 A C 2.117 179.443 177.584 -0.430 0.000 1.175 263 A CA 1.117 52.651 52.037 -0.838 0.000 0.627 263 A CB -1.289 17.605 19.000 -0.177 0.000 0.815 263 A HN 0.257 nan 8.150 nan 0.000 0.443 264 F N -0.543 119.194 119.950 -0.355 0.000 2.161 264 F HA -0.131 4.397 4.527 0.001 0.000 0.300 264 F C 1.057 176.505 175.800 -0.587 0.000 1.089 264 F CA 1.411 59.079 58.000 -0.553 0.000 1.282 264 F CB -0.118 38.332 39.000 -0.916 0.000 1.010 264 F HN 0.196 nan 8.300 nan 0.000 0.485 265 F N 0.761 120.683 119.950 -0.045 0.000 2.730 265 F HA 0.184 4.711 4.527 0.000 0.000 0.295 265 F C 0.317 176.032 175.800 -0.141 0.000 1.143 265 F CA -0.384 57.590 58.000 -0.044 0.000 1.367 265 F CB -0.449 38.651 39.000 0.166 0.000 0.970 265 F HN -0.114 nan 8.300 nan 0.000 0.514 266 D N -0.287 119.985 120.400 -0.213 0.000 2.837 266 D HA -0.288 4.352 4.640 0.000 0.000 0.230 266 D C 0.191 176.517 176.300 0.044 0.000 1.152 266 D CA 0.887 54.788 54.000 -0.164 0.000 0.736 266 D CB -1.884 38.905 40.800 -0.017 0.000 1.084 266 D HN 0.422 nan 8.370 nan 0.000 0.429 267 F N -2.995 117.071 119.950 0.194 0.000 3.100 267 F HA -0.382 4.145 4.527 0.000 0.000 0.283 267 F C 2.384 178.321 175.800 0.227 0.000 0.900 267 F CA 0.564 58.713 58.000 0.249 0.000 1.010 267 F CB -2.776 36.321 39.000 0.162 0.000 1.029 267 F HN 0.455 nan 8.300 nan 0.000 0.637 268 C N -2.510 116.927 119.300 0.229 0.000 2.409 268 C HA -0.163 4.297 4.460 0.000 0.000 0.284 268 C C 1.947 176.863 174.990 -0.123 0.000 1.354 268 C CA 0.996 59.986 59.018 -0.048 0.000 1.787 268 C CB -1.251 26.320 27.740 -0.283 0.000 1.900 268 C HN 0.527 nan 8.230 nan 0.000 0.520 269 Y N 2.364 122.739 120.300 0.125 0.000 2.555 269 Y HA 0.484 5.035 4.550 0.000 0.000 0.259 269 Y C 1.501 177.482 175.900 0.135 0.000 1.179 269 Y CA -0.072 58.002 58.100 -0.043 0.000 1.230 269 Y CB -0.566 37.601 38.460 -0.489 0.000 1.146 269 Y HN 0.691 nan 8.280 nan 0.000 0.526 270 G N 0.740 109.772 108.800 0.386 0.000 2.746 270 G HA2 -0.230 3.730 3.960 0.000 0.000 0.685 270 G HA3 -0.230 3.730 3.960 0.000 0.000 0.685 270 G C -0.790 174.376 174.900 0.443 0.000 1.350 270 G CA -1.089 44.212 45.100 0.334 0.000 0.837 270 G HN 0.153 nan 8.290 nan 0.000 0.564 271 K N 0.083 120.665 120.400 0.303 0.000 2.412 271 K HA 0.406 4.726 4.320 0.000 0.000 0.284 271 K C 0.905 177.686 176.600 0.301 0.000 1.046 271 K CA -0.295 56.176 56.287 0.306 0.000 0.999 271 K CB 0.279 32.862 32.500 0.137 0.000 0.941 271 K HN 0.544 nan 8.250 nan 0.000 0.474 272 L N 7.912 129.335 121.223 0.333 0.000 2.418 272 L HA 0.190 4.530 4.340 0.000 0.000 0.274 272 L C -1.956 175.015 176.870 0.169 0.000 1.135 272 L CA -1.919 53.023 54.840 0.171 0.000 0.870 272 L CB 0.756 42.838 42.059 0.038 0.000 1.154 272 L HN 0.598 nan 8.230 nan 0.000 0.462 273 P HA 0.044 nan 4.420 nan 0.000 0.261 273 P C -1.537 175.844 177.300 0.134 0.000 1.203 273 P CA 0.549 63.755 63.100 0.176 0.000 0.767 273 P CB 0.104 31.908 31.700 0.173 0.000 0.785 274 Y N 2.101 122.558 120.300 0.262 0.000 2.409 274 Y HA 0.513 5.063 4.550 0.000 0.000 0.343 274 Y C 0.882 176.893 175.900 0.186 0.000 0.973 274 Y CA -1.011 57.229 58.100 0.233 0.000 1.064 274 Y CB 1.839 40.409 38.460 0.184 0.000 1.207 274 Y HN 0.151 nan 8.280 nan 0.000 0.452 275 R N 1.376 122.092 120.500 0.360 0.000 2.410 275 R HA 0.560 4.900 4.340 0.000 0.000 0.288 275 R C -0.257 176.208 176.300 0.276 0.000 1.051 275 R CA -0.061 56.177 56.100 0.231 0.000 1.021 275 R CB 1.206 31.531 30.300 0.041 0.000 1.032 275 R HN 0.699 nan 8.270 nan 0.000 0.481 276 S N 2.586 118.400 115.700 0.189 0.000 2.801 276 S HA 0.795 5.265 4.470 0.000 0.000 0.312 276 S C -1.317 173.448 174.600 0.275 0.000 1.112 276 S CA -0.728 57.613 58.200 0.235 0.000 0.943 276 S CB 0.637 63.882 63.200 0.075 0.000 1.269 276 S HN 0.415 nan 8.310 nan 0.000 0.558 277 L N 1.127 122.545 121.223 0.324 0.000 2.506 277 L HA 0.513 4.853 4.340 0.000 0.000 0.257 277 L C -1.033 175.749 176.870 -0.147 0.000 0.964 277 L CA -0.532 54.302 54.840 -0.010 0.000 0.836 277 L CB 2.231 44.119 42.059 -0.285 0.000 1.384 277 L HN 0.720 nan 8.230 nan 0.000 0.410 278 E N 1.760 121.838 120.200 -0.204 0.000 2.171 278 E HA 0.558 4.908 4.350 0.000 0.000 0.271 278 E C -1.769 174.705 176.600 -0.210 0.000 0.916 278 E CA -0.567 55.758 56.400 -0.125 0.000 0.774 278 E CB 1.312 31.006 29.700 -0.010 0.000 1.128 278 E HN 0.328 nan 8.360 nan 0.000 0.403 279 F N 2.912 122.984 119.950 0.202 0.000 2.436 279 F HA 0.446 4.973 4.527 0.000 0.000 0.340 279 F C 0.517 176.384 175.800 0.112 0.000 1.113 279 F CA -0.912 57.170 58.000 0.137 0.000 1.022 279 F CB 1.444 40.493 39.000 0.081 0.000 1.128 279 F HN 0.271 nan 8.300 nan 0.000 0.466 280 R N 3.490 124.149 120.500 0.265 0.000 2.337 280 R HA 0.314 4.654 4.340 0.000 0.000 0.319 280 R C -1.020 175.352 176.300 0.120 0.000 0.954 280 R CA -0.537 55.685 56.100 0.204 0.000 0.840 280 R CB 0.466 30.890 30.300 0.207 0.000 1.164 280 R HN 0.739 nan 8.270 nan 0.000 0.472 281 H N 2.826 122.008 119.070 0.186 0.000 2.472 281 H HA 0.324 4.880 4.556 0.000 0.000 0.335 281 H C -0.500 174.886 175.328 0.096 0.000 1.136 281 H CA -0.301 55.837 56.048 0.150 0.000 1.264 281 H CB 1.836 31.656 29.762 0.097 0.000 1.486 281 H HN 0.559 nan 8.280 nan 0.000 0.517 282 E N 1.102 121.414 120.200 0.188 0.000 2.343 282 E HA 0.276 4.626 4.350 0.000 0.000 0.278 282 E C -1.062 175.514 176.600 -0.040 0.000 0.910 282 E CA -0.765 55.652 56.400 0.028 0.000 0.757 282 E CB 2.482 32.191 29.700 0.014 0.000 1.218 282 E HN 0.405 nan 8.360 nan 0.000 0.435 283 T N 1.590 116.045 114.554 -0.165 0.000 2.807 283 T HA 0.425 4.775 4.350 0.000 0.000 0.279 283 T C -1.079 173.458 174.700 -0.271 0.000 0.993 283 T CA -0.616 61.406 62.100 -0.130 0.000 0.970 283 T CB 0.599 69.422 68.868 -0.076 0.000 0.950 283 T HN 0.327 nan 8.240 nan 0.000 0.441 284 H N 0.720 119.793 119.070 0.005 0.000 2.569 284 H HA 0.352 4.908 4.556 0.000 0.000 0.357 284 H C -0.378 174.950 175.328 -0.001 0.000 1.153 284 H CA -0.738 55.316 56.048 0.010 0.000 1.193 284 H CB 1.230 31.002 29.762 0.017 0.000 1.602 284 H HN 0.440 nan 8.280 nan 0.000 0.523 285 D N 1.657 122.137 120.400 0.134 0.000 2.801 285 D HA 0.118 4.758 4.640 0.000 0.000 0.232 285 D C -0.643 175.710 176.300 0.088 0.000 1.128 285 D CA 0.359 54.409 54.000 0.083 0.000 1.003 285 D CB -0.227 40.620 40.800 0.079 0.000 1.110 285 D HN 0.463 nan 8.370 nan 0.000 0.477 286 T N -0.415 114.187 114.554 0.081 0.000 2.786 286 T HA 0.150 4.501 4.350 0.000 0.000 0.316 286 T C 0.639 175.372 174.700 0.054 0.000 1.503 286 T CA -0.528 61.611 62.100 0.066 0.000 1.019 286 T CB 1.277 70.176 68.868 0.051 0.000 1.415 286 T HN 0.060 nan 8.240 nan 0.000 0.496 287 E N 0.439 120.668 120.200 0.048 0.000 2.076 287 E HA 0.026 4.376 4.350 0.000 0.000 0.190 287 E C 0.551 177.155 176.600 0.007 0.000 0.979 287 E CA 0.574 56.998 56.400 0.040 0.000 0.807 287 E CB 0.308 30.032 29.700 0.040 0.000 0.761 287 E HN 0.475 nan 8.360 nan 0.000 0.454 288 Q N 0.281 120.084 119.800 0.005 0.000 2.305 288 Q HA 0.196 4.536 4.340 0.000 0.000 0.271 288 Q C -0.435 175.575 176.000 0.017 0.000 1.046 288 Q CA -0.253 55.550 55.803 -0.000 0.000 0.798 288 Q CB 1.837 30.568 28.738 -0.011 0.000 1.286 288 Q HN 0.082 nan 8.270 nan 0.000 0.435 289 L N 3.909 125.145 121.223 0.023 0.000 2.362 289 L HA 0.410 4.750 4.340 0.000 0.000 0.204 289 L C -0.547 176.322 176.870 -0.002 0.000 1.060 289 L CA 0.883 55.705 54.840 -0.029 0.000 0.827 289 L CB 0.671 42.670 42.059 -0.099 0.000 1.027 289 L HN 0.609 nan 8.230 nan 0.000 0.474 290 L N 0.503 121.763 121.223 0.062 0.000 2.330 290 L HA 0.412 4.752 4.340 0.000 0.000 0.271 290 L C -1.611 175.286 176.870 0.045 0.000 1.013 290 L CA -1.661 53.177 54.840 -0.003 0.000 0.816 290 L CB 1.238 43.225 42.059 -0.119 0.000 1.287 290 L HN -0.160 nan 8.230 nan 0.000 0.435 291 P HA 0.022 nan 4.420 nan 0.000 0.241 291 P C 0.296 177.521 177.300 -0.125 0.000 1.191 291 P CA 0.622 63.710 63.100 -0.021 0.000 0.771 291 P CB 0.625 32.300 31.700 -0.042 0.000 0.929 292 T N -2.582 111.726 114.554 -0.410 0.000 2.769 292 T HA 0.491 4.842 4.350 0.000 0.000 0.306 292 T C 1.205 175.420 174.700 -0.807 0.000 1.400 292 T CA 0.053 61.831 62.100 -0.538 0.000 1.007 292 T CB 0.848 69.539 68.868 -0.295 0.000 1.392 292 T HN -0.143 nan 8.240 nan 0.000 0.500 293 G N 0.860 109.359 108.800 -0.501 0.000 2.469 293 G HA2 0.077 4.037 3.960 0.000 0.000 0.219 293 G HA3 0.077 4.037 3.960 0.000 0.000 0.219 293 G C 0.401 175.214 174.900 -0.145 0.000 1.150 293 G CA 1.247 46.243 45.100 -0.173 0.000 0.763 293 G HN 0.759 nan 8.290 nan 0.000 0.561 294 T N -0.873 113.542 114.554 -0.232 0.000 2.912 294 T HA 0.511 4.861 4.350 0.000 0.000 0.299 294 T C -1.190 173.361 174.700 -0.247 0.000 1.052 294 T CA -0.483 61.499 62.100 -0.196 0.000 0.996 294 T CB 2.870 71.677 68.868 -0.102 0.000 1.070 294 T HN -0.064 nan 8.240 nan 0.000 0.465 295 V N 3.800 123.597 119.914 -0.195 0.000 2.409 295 V HA 0.457 4.577 4.120 0.000 0.000 0.291 295 V C -0.363 175.621 176.094 -0.184 0.000 1.020 295 V CA -0.989 61.179 62.300 -0.220 0.000 0.848 295 V CB 1.624 33.322 31.823 -0.207 0.000 0.990 295 V HN 0.740 nan 8.190 nan 0.000 0.430 296 N N 2.910 121.480 118.700 -0.217 0.000 2.509 296 N HA 0.456 5.196 4.740 0.000 0.000 0.287 296 N C -1.065 174.314 175.510 -0.218 0.000 1.121 296 N CA -0.210 52.813 53.050 -0.046 0.000 0.977 296 N CB 0.962 39.442 38.487 -0.013 0.000 1.167 296 N HN 0.573 nan 8.380 nan 0.000 0.476 297 Y N 1.266 121.681 120.300 0.191 0.000 2.837 297 Y HA 0.305 4.855 4.550 0.000 0.000 0.356 297 Y C -1.528 174.437 175.900 0.109 0.000 1.035 297 Y CA -1.632 56.549 58.100 0.135 0.000 1.165 297 Y CB 1.468 40.027 38.460 0.165 0.000 1.147 297 Y HN 0.551 nan 8.280 nan 0.000 0.628 298 P HA -0.110 nan 4.420 nan 0.000 0.217 298 P C 0.407 177.738 177.300 0.051 0.000 1.150 298 P CA 1.607 64.805 63.100 0.163 0.000 0.832 298 P CB 0.474 32.174 31.700 0.001 0.000 0.787 299 N N -1.303 117.406 118.700 0.015 0.000 2.194 299 N HA 0.125 4.865 4.740 0.000 0.000 0.231 299 N C -0.463 175.007 175.510 -0.066 0.000 1.247 299 N CA 0.190 53.216 53.050 -0.040 0.000 0.884 299 N CB 1.070 39.509 38.487 -0.080 0.000 1.146 299 N HN 0.189 nan 8.380 nan 0.000 0.516 300 D N 0.053 120.431 120.400 -0.037 0.000 2.661 300 D HA 0.333 4.973 4.640 0.000 0.000 0.228 300 D C -0.708 175.441 176.300 -0.252 0.000 1.183 300 D CA -0.138 53.732 54.000 -0.217 0.000 0.844 300 D CB 2.178 42.843 40.800 -0.225 0.000 1.555 300 D HN -0.185 nan 8.370 nan 0.000 0.453 301 Y N -0.638 119.460 120.300 -0.337 0.000 2.506 301 Y HA -0.239 4.312 4.550 0.000 0.000 0.020 301 Y C 0.908 176.487 175.900 -0.535 0.000 1.702 301 Y CA 0.046 57.773 58.100 -0.623 0.000 1.419 301 Y CB -0.976 36.690 38.460 -1.324 0.000 2.065 301 Y HN 0.527 nan 8.280 nan 0.000 0.254 302 A N 0.557 123.178 122.820 -0.331 0.000 2.123 302 A HA 0.157 4.477 4.320 0.000 0.000 0.214 302 A C 0.162 177.596 177.584 -0.249 0.000 1.152 302 A CA 1.212 53.158 52.037 -0.152 0.000 0.728 302 A CB -0.578 18.481 19.000 0.099 0.000 0.814 302 A HN 0.630 nan 8.150 nan 0.000 0.464 303 Y N -2.098 118.002 120.300 -0.333 0.000 2.335 303 Y HA 0.522 5.072 4.550 0.000 0.000 0.323 303 Y C 1.440 177.179 175.900 -0.268 0.000 1.224 303 Y CA -0.496 57.270 58.100 -0.557 0.000 1.241 303 Y CB 0.081 38.044 38.460 -0.829 0.000 1.235 303 Y HN 0.039 nan 8.280 nan 0.000 0.492 304 T N -1.113 113.391 114.554 -0.083 0.000 2.937 304 T HA 0.176 4.526 4.350 0.000 0.000 0.260 304 T C 0.289 175.088 174.700 0.165 0.000 1.051 304 T CA 0.700 62.710 62.100 -0.150 0.000 1.141 304 T CB -0.199 68.410 68.868 -0.432 0.000 0.879 304 T HN 0.864 nan 8.240 nan 0.000 0.459 305 R N -0.402 120.218 120.500 0.200 0.000 2.728 305 R HA 0.626 4.966 4.340 0.000 0.000 0.274 305 R C -2.248 174.034 176.300 -0.029 0.000 1.032 305 R CA -1.159 55.074 56.100 0.221 0.000 0.866 305 R CB 1.344 31.734 30.300 0.150 0.000 1.263 305 R HN 0.044 nan 8.270 nan 0.000 0.475 306 V N 0.070 119.907 119.914 -0.128 0.000 2.604 306 V HA 0.709 4.829 4.120 0.000 0.000 0.305 306 V C -0.411 175.475 176.094 -0.346 0.000 1.043 306 V CA -0.854 61.154 62.300 -0.486 0.000 0.888 306 V CB 1.784 33.212 31.823 -0.659 0.000 0.995 306 V HN 0.829 nan 8.190 nan 0.000 0.429 307 S N 2.122 117.567 115.700 -0.425 0.000 2.542 307 S HA 0.606 5.076 4.470 0.000 0.000 0.293 307 S C -0.714 173.550 174.600 -0.560 0.000 1.089 307 S CA -0.693 57.259 58.200 -0.415 0.000 0.961 307 S CB 2.054 65.025 63.200 -0.382 0.000 1.062 307 S HN 0.924 nan 8.310 nan 0.000 0.483 308 E N 1.537 121.500 120.200 -0.394 0.000 2.141 308 E HA 0.346 4.696 4.350 0.000 0.000 0.259 308 E C -0.414 176.066 176.600 -0.199 0.000 0.883 308 E CA -0.473 55.775 56.400 -0.254 0.000 0.744 308 E CB 0.339 30.075 29.700 0.060 0.000 1.150 308 E HN 0.594 nan 8.360 nan 0.000 0.420 309 F N 3.302 123.217 119.950 -0.058 0.000 2.161 309 F HA -0.156 4.372 4.527 0.000 0.000 0.300 309 F C 2.028 177.750 175.800 -0.130 0.000 1.089 309 F CA 0.940 58.848 58.000 -0.154 0.000 1.282 309 F CB -0.010 38.837 39.000 -0.255 0.000 1.010 309 F HN 0.447 nan 8.300 nan 0.000 0.485 310 K N -0.550 119.878 120.400 0.047 0.000 2.152 310 K HA -0.197 4.124 4.320 0.000 0.000 0.206 310 K C 1.827 178.373 176.600 -0.090 0.000 1.048 310 K CA 1.269 57.532 56.287 -0.042 0.000 0.933 310 K CB -0.377 32.078 32.500 -0.076 0.000 0.721 310 K HN 0.404 nan 8.250 nan 0.000 0.447 311 H N 0.359 119.404 119.070 -0.042 0.000 2.353 311 H HA -0.091 4.465 4.556 0.000 0.000 0.300 311 H C 2.174 177.376 175.328 -0.211 0.000 1.090 311 H CA 1.477 57.508 56.048 -0.029 0.000 1.327 311 H CB -0.015 29.774 29.762 0.045 0.000 1.383 311 H HN 0.186 nan 8.280 nan 0.000 0.508 312 I N 0.504 120.997 120.570 -0.128 0.000 2.277 312 I HA -0.176 3.994 4.170 0.000 0.000 0.243 312 I C 2.693 178.559 176.117 -0.418 0.000 1.094 312 I CA 1.572 62.588 61.300 -0.474 0.000 1.393 312 I CB -0.204 37.757 38.000 -0.065 0.000 1.078 312 I HN 0.283 nan 8.210 nan 0.000 0.417 313 T N -2.081 112.375 114.554 -0.164 0.000 3.043 313 T HA 0.149 4.499 4.350 0.000 0.000 0.263 313 T C 1.690 176.335 174.700 -0.091 0.000 1.094 313 T CA 0.712 62.750 62.100 -0.103 0.000 1.127 313 T CB 0.217 69.041 68.868 -0.073 0.000 0.905 313 T HN 0.530 nan 8.240 nan 0.000 0.490 314 G N 1.046 109.790 108.800 -0.094 0.000 2.179 314 G HA2 -0.302 3.659 3.960 0.000 0.000 0.260 314 G HA3 -0.302 3.659 3.960 0.000 0.000 0.260 314 G C -0.088 174.806 174.900 -0.009 0.000 0.977 314 G CA 0.288 45.364 45.100 -0.041 0.000 0.641 314 G HN 0.927 nan 8.290 nan 0.000 0.533 315 Q N 0.422 120.219 119.800 -0.005 0.000 2.311 315 Q HA 0.331 4.671 4.340 0.000 0.000 0.272 315 Q C 0.680 176.715 176.000 0.058 0.000 1.012 315 Q CA -0.332 55.496 55.803 0.041 0.000 0.891 315 Q CB 0.382 29.151 28.738 0.052 0.000 1.201 315 Q HN 0.523 nan 8.270 nan 0.000 0.391 316 R N 3.191 123.742 120.500 0.085 0.000 2.357 316 R HA 0.247 4.587 4.340 0.000 0.000 0.296 316 R C -1.125 175.283 176.300 0.180 0.000 1.052 316 R CA -0.192 55.965 56.100 0.095 0.000 0.988 316 R CB 0.707 31.046 30.300 0.064 0.000 1.025 316 R HN 0.759 nan 8.270 nan 0.000 0.469 317 H N 2.258 121.359 119.070 0.052 0.000 3.043 317 H HA 0.024 4.580 4.556 0.000 0.000 0.317 317 H C -0.229 175.151 175.328 0.087 0.000 1.321 317 H CA -0.436 55.663 56.048 0.084 0.000 1.243 317 H CB 1.020 30.805 29.762 0.039 0.000 1.924 317 H HN 0.937 nan 8.280 nan 0.000 0.527 318 H N 1.352 120.405 119.070 -0.028 0.000 2.551 318 H HA 0.235 4.791 4.556 0.000 0.000 0.266 318 H C -0.253 175.183 175.328 0.180 0.000 0.964 318 H CA -0.025 56.051 56.048 0.047 0.000 1.180 318 H CB 1.070 30.803 29.762 -0.047 0.000 1.408 318 H HN 0.411 nan 8.280 nan 0.000 0.563 319 Q N 0.298 120.071 119.800 -0.047 0.000 2.576 319 Q HA 0.512 4.853 4.340 0.000 0.000 0.249 319 Q C -0.701 175.304 176.000 0.007 0.000 1.041 319 Q CA -0.897 54.885 55.803 -0.036 0.000 0.928 319 Q CB 2.256 30.909 28.738 -0.143 0.000 1.302 319 Q HN 0.135 nan 8.270 nan 0.000 0.504 320 T N -0.340 114.198 114.554 -0.026 0.000 2.923 320 T HA 0.477 4.827 4.350 0.000 0.000 0.311 320 T C -1.497 173.210 174.700 0.012 0.000 1.183 320 T CA -0.429 61.657 62.100 -0.024 0.000 1.020 320 T CB 1.553 70.433 68.868 0.020 0.000 1.165 320 T HN 0.450 nan 8.240 nan 0.000 0.482 321 S N 1.557 117.273 115.700 0.026 0.000 2.503 321 S HA 0.855 5.325 4.470 0.000 0.000 0.301 321 S C -0.441 174.239 174.600 0.134 0.000 1.087 321 S CA -0.666 57.596 58.200 0.104 0.000 1.042 321 S CB 1.527 64.792 63.200 0.108 0.000 1.043 321 S HN 0.915 nan 8.310 nan 0.000 0.489 322 V N -0.082 119.893 119.914 0.103 0.000 3.160 322 V HA 0.977 5.097 4.120 0.000 0.000 0.310 322 V C -0.945 175.098 176.094 -0.084 0.000 1.181 322 V CA -0.781 61.451 62.300 -0.114 0.000 1.047 322 V CB 1.728 33.465 31.823 -0.144 0.000 1.068 322 V HN 0.641 nan 8.190 nan 0.000 0.441 323 V N 1.669 121.391 119.914 -0.321 0.000 2.760 323 V HA 0.690 4.810 4.120 0.000 0.000 0.309 323 V C -1.805 174.067 176.094 -0.370 0.000 1.077 323 V CA -0.420 61.723 62.300 -0.262 0.000 0.910 323 V CB 2.204 33.887 31.823 -0.233 0.000 1.008 323 V HN 0.902 nan 8.190 nan 0.000 0.424 324 Y N 3.659 123.849 120.300 -0.182 0.000 2.341 324 Y HA 0.570 5.120 4.550 0.000 0.000 0.337 324 Y C 0.477 176.306 175.900 -0.118 0.000 1.014 324 Y CA -0.425 57.504 58.100 -0.286 0.000 1.111 324 Y CB 1.729 39.911 38.460 -0.462 0.000 1.194 324 Y HN 0.567 nan 8.280 nan 0.000 0.462 325 E N 3.095 123.261 120.200 -0.057 0.000 2.156 325 E HA 0.280 4.631 4.350 0.000 0.000 0.279 325 E C -1.664 174.826 176.600 -0.183 0.000 0.965 325 E CA -0.751 55.623 56.400 -0.044 0.000 0.789 325 E CB 1.150 30.844 29.700 -0.011 0.000 1.098 325 E HN 0.495 nan 8.360 nan 0.000 0.397 326 Y N 2.843 123.105 120.300 -0.064 0.000 2.345 326 Y HA 0.268 4.818 4.550 0.000 0.000 0.331 326 Y C -2.228 173.606 175.900 -0.109 0.000 0.959 326 Y CA -2.914 55.161 58.100 -0.043 0.000 1.204 326 Y CB 1.061 39.514 38.460 -0.012 0.000 1.135 326 Y HN 0.398 nan 8.280 nan 0.000 0.477 327 P HA 0.123 nan 4.420 nan 0.000 0.266 327 P C -0.373 176.922 177.300 -0.009 0.000 1.195 327 P CA 0.055 63.107 63.100 -0.081 0.000 0.768 327 P CB 0.721 32.322 31.700 -0.166 0.000 0.838 328 R N 1.582 122.082 120.500 -0.001 0.000 2.698 328 R HA 0.519 4.859 4.340 0.000 0.000 0.275 328 R C 0.561 176.885 176.300 0.040 0.000 1.001 328 R CA -0.860 55.257 56.100 0.029 0.000 0.896 328 R CB 1.818 32.143 30.300 0.043 0.000 1.218 328 R HN 0.394 nan 8.270 nan 0.000 0.462 329 A N 1.251 124.099 122.820 0.046 0.000 2.021 329 A HA 0.024 4.344 4.320 0.000 0.000 0.216 329 A C 0.346 177.970 177.584 0.067 0.000 1.163 329 A CA 1.101 53.177 52.037 0.064 0.000 0.676 329 A CB 0.138 19.174 19.000 0.060 0.000 0.818 329 A HN 0.563 nan 8.150 nan 0.000 0.453 330 E N -1.972 118.258 120.200 0.050 0.000 2.207 330 E HA 0.576 4.926 4.350 0.000 0.000 0.270 330 E C 0.216 176.838 176.600 0.037 0.000 0.927 330 E CA 0.699 57.123 56.400 0.040 0.000 0.799 330 E CB 1.732 31.449 29.700 0.028 0.000 1.172 330 E HN 0.666 nan 8.360 nan 0.000 0.404 331 G N 2.068 110.879 108.800 0.019 0.000 2.316 331 G HA2 -0.078 3.883 3.960 0.000 0.000 0.349 331 G HA3 -0.078 3.883 3.960 0.000 0.000 0.349 331 G C -1.355 173.501 174.900 -0.074 0.000 1.274 331 G CA -0.959 44.143 45.100 0.004 0.000 1.018 331 G HN 0.493 nan 8.290 nan 0.000 0.486 332 D N 2.479 122.788 120.400 -0.152 0.000 2.443 332 D HA 0.413 5.053 4.640 0.000 0.000 0.239 332 D C -1.785 174.151 176.300 -0.607 0.000 1.136 332 D CA -0.154 53.635 54.000 -0.351 0.000 0.879 332 D CB 0.972 41.553 40.800 -0.367 0.000 1.195 332 D HN 0.255 nan 8.370 nan 0.000 0.443 333 P HA 0.080 nan 4.420 nan 0.000 0.276 333 P C -0.449 176.614 177.300 -0.395 0.000 1.243 333 P CA 0.174 63.061 63.100 -0.355 0.000 0.768 333 P CB 0.411 31.788 31.700 -0.539 0.000 0.856 334 Y N 1.137 121.503 120.300 0.110 0.000 2.585 334 Y HA 0.217 4.767 4.550 0.000 0.000 0.272 334 Y C 0.283 176.076 175.900 -0.178 0.000 1.119 334 Y CA -0.186 57.903 58.100 -0.018 0.000 1.255 334 Y CB 0.561 39.038 38.460 0.027 0.000 1.284 334 Y HN 0.199 nan 8.280 nan 0.000 0.499 335 Y N 1.089 121.506 120.300 0.195 0.000 2.361 335 Y HA 0.438 4.989 4.550 0.000 0.000 0.337 335 Y C -2.678 173.275 175.900 0.088 0.000 0.965 335 Y CA -3.695 54.426 58.100 0.035 0.000 1.091 335 Y CB 1.082 39.462 38.460 -0.135 0.000 1.182 335 Y HN -0.200 nan 8.280 nan 0.000 0.450 336 P HA 0.056 nan 4.420 nan 0.000 0.269 336 P C -0.676 176.520 177.300 -0.173 0.000 1.215 336 P CA -0.147 62.605 63.100 -0.579 0.000 0.780 336 P CB 0.789 31.874 31.700 -1.026 0.000 0.898 337 V N 4.340 124.174 119.914 -0.134 0.000 2.259 337 V HA 0.225 4.345 4.120 0.000 0.000 0.267 337 V C -2.175 173.897 176.094 -0.036 0.000 1.051 337 V CA -1.788 60.536 62.300 0.040 0.000 0.830 337 V CB 0.734 32.668 31.823 0.185 0.000 1.080 337 V HN 0.480 nan 8.190 nan 0.000 0.467 338 P HA 0.290 nan 4.420 nan 0.000 0.269 338 P C -0.293 176.975 177.300 -0.054 0.000 1.263 338 P CA 0.103 63.174 63.100 -0.049 0.000 0.813 338 P CB 0.156 31.835 31.700 -0.036 0.000 0.868 339 R N 2.836 123.349 120.500 0.021 0.000 2.664 339 R HA 0.403 4.743 4.340 0.000 0.000 0.266 339 R C -2.819 173.506 176.300 0.041 0.000 1.046 339 R CA -1.856 54.249 56.100 0.009 0.000 0.885 339 R CB 0.048 30.341 30.300 -0.010 0.000 1.254 339 R HN -0.080 nan 8.270 nan 0.000 0.465 340 P HA -0.310 nan 4.420 nan 0.000 0.216 340 P C 0.959 178.278 177.300 0.032 0.000 1.157 340 P CA 2.189 65.306 63.100 0.028 0.000 0.880 340 P CB 0.070 31.778 31.700 0.013 0.000 0.791 341 E N -0.919 119.299 120.200 0.029 0.000 2.110 341 E HA -0.217 4.134 4.350 0.000 0.000 0.193 341 E C 1.564 178.187 176.600 0.038 0.000 0.988 341 E CA 1.227 57.643 56.400 0.026 0.000 0.804 341 E CB -0.946 28.770 29.700 0.027 0.000 0.745 341 E HN 0.168 nan 8.360 nan 0.000 0.458 342 N N 1.542 120.281 118.700 0.065 0.000 2.142 342 N HA -0.071 4.669 4.740 0.000 0.000 0.186 342 N C 1.884 177.440 175.510 0.076 0.000 1.023 342 N CA 1.621 54.719 53.050 0.080 0.000 0.852 342 N CB -0.496 38.096 38.487 0.175 0.000 0.998 342 N HN 0.368 nan 8.380 nan 0.000 0.424 343 A N 1.536 124.428 122.820 0.121 0.000 1.933 343 A HA -0.126 4.194 4.320 0.000 0.000 0.218 343 A C 2.072 179.716 177.584 0.100 0.000 1.175 343 A CA 1.193 53.322 52.037 0.153 0.000 0.628 343 A CB -0.245 18.834 19.000 0.131 0.000 0.814 343 A HN 0.164 nan 8.150 nan 0.000 0.444 344 E N -0.284 119.938 120.200 0.036 0.000 2.072 344 E HA -0.116 4.234 4.350 0.000 0.000 0.190 344 E C 2.081 178.642 176.600 -0.065 0.000 0.982 344 E CA 0.720 57.107 56.400 -0.021 0.000 0.803 344 E CB -0.434 29.246 29.700 -0.033 0.000 0.755 344 E HN 0.645 nan 8.360 nan 0.000 0.453 345 L N 0.502 121.701 121.223 -0.039 0.000 2.042 345 L HA -0.234 4.106 4.340 0.000 0.000 0.210 345 L C 2.624 179.482 176.870 -0.020 0.000 1.076 345 L CA 1.524 56.334 54.840 -0.052 0.000 0.749 345 L CB -0.335 41.736 42.059 0.021 0.000 0.893 345 L HN 0.159 nan 8.230 nan 0.000 0.432 346 Y N 0.901 121.124 120.300 -0.129 0.000 2.224 346 Y HA -0.285 4.265 4.550 0.000 0.000 0.289 346 Y C 2.449 178.325 175.900 -0.041 0.000 1.146 346 Y CA 1.737 59.763 58.100 -0.123 0.000 1.182 346 Y CB -0.232 38.022 38.460 -0.343 0.000 0.983 346 Y HN 0.059 nan 8.280 nan 0.000 0.524 347 K N 0.219 120.440 120.400 -0.298 0.000 2.152 347 K HA -0.178 4.142 4.320 0.000 0.000 0.206 347 K C 2.132 178.503 176.600 -0.382 0.000 1.048 347 K CA 1.437 57.510 56.287 -0.357 0.000 0.933 347 K CB -0.020 32.380 32.500 -0.167 0.000 0.721 347 K HN 0.221 nan 8.250 nan 0.000 0.447 348 K N -0.148 120.017 120.400 -0.390 0.000 2.002 348 K HA -0.153 4.167 4.320 0.000 0.000 0.209 348 K C 2.147 178.508 176.600 -0.399 0.000 1.048 348 K CA 1.655 57.623 56.287 -0.531 0.000 0.930 348 K CB -0.373 31.581 32.500 -0.909 0.000 0.714 348 K HN 0.278 nan 8.250 nan 0.000 0.438 349 Y N 1.376 121.542 120.300 -0.223 0.000 2.293 349 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 349 Y C 2.606 178.259 175.900 -0.412 0.000 1.137 349 Y CA 1.177 59.163 58.100 -0.190 0.000 1.202 349 Y CB -0.022 38.433 38.460 -0.008 0.000 0.990 349 Y HN 0.275 nan 8.280 nan 0.000 0.537 350 E N 0.331 120.259 120.200 -0.455 0.000 2.110 350 E HA -0.224 4.126 4.350 0.000 0.000 0.193 350 E C 2.313 178.725 176.600 -0.313 0.000 0.988 350 E CA 0.887 56.989 56.400 -0.496 0.000 0.804 350 E CB -0.134 29.133 29.700 -0.722 0.000 0.745 350 E HN 0.441 nan 8.360 nan 0.000 0.458 351 A N 1.212 123.862 122.820 -0.283 0.000 1.902 351 A HA -0.159 4.161 4.320 0.000 0.000 0.217 351 A C 2.203 179.666 177.584 -0.202 0.000 1.181 351 A CA 1.101 53.018 52.037 -0.201 0.000 0.623 351 A CB -0.639 18.249 19.000 -0.186 0.000 0.818 351 A HN 0.301 nan 8.150 nan 0.000 0.443 352 L N -0.887 120.150 121.223 -0.310 0.000 2.046 352 L HA -0.214 4.126 4.340 0.000 0.000 0.208 352 L C 3.131 179.831 176.870 -0.284 0.000 1.077 352 L CA 1.142 55.712 54.840 -0.451 0.000 0.747 352 L CB -0.695 40.719 42.059 -1.075 0.000 0.896 352 L HN 0.461 nan 8.230 nan 0.000 0.432 353 A N -0.011 122.608 122.820 -0.334 0.000 1.902 353 A HA -0.238 4.082 4.320 0.000 0.000 0.217 353 A C 1.902 179.456 177.584 -0.049 0.000 1.181 353 A CA 2.044 53.847 52.037 -0.391 0.000 0.623 353 A CB -0.525 17.852 19.000 -1.038 0.000 0.818 353 A HN 0.359 nan 8.150 nan 0.000 0.443 354 D N -0.022 120.339 120.400 -0.065 0.000 2.144 354 D HA -0.025 4.615 4.640 0.000 0.000 0.199 354 D C 2.038 178.377 176.300 0.066 0.000 0.984 354 D CA 1.500 55.515 54.000 0.024 0.000 0.834 354 D CB -0.327 40.465 40.800 -0.013 0.000 0.955 354 D HN 0.447 nan 8.370 nan 0.000 0.465 355 A N 0.451 123.296 122.820 0.043 0.000 2.123 355 A HA 0.326 4.646 4.320 0.000 0.000 0.214 355 A C 1.306 178.970 177.584 0.134 0.000 1.152 355 A CA 0.529 52.606 52.037 0.066 0.000 0.728 355 A CB -0.245 18.770 19.000 0.025 0.000 0.814 355 A HN 0.175 nan 8.150 nan 0.000 0.464 356 A N 0.389 123.339 122.820 0.218 0.000 2.524 356 A HA 0.307 4.627 4.320 0.000 0.000 0.250 356 A C 0.367 178.084 177.584 0.220 0.000 1.078 356 A CA -0.086 52.135 52.037 0.306 0.000 0.761 356 A CB -0.164 19.151 19.000 0.524 0.000 1.012 356 A HN 0.549 nan 8.150 nan 0.000 0.500 357 Q N 1.751 121.654 119.800 0.172 0.000 2.296 357 Q HA 0.163 4.504 4.340 0.000 0.000 0.262 357 Q C -0.516 175.534 176.000 0.084 0.000 0.981 357 Q CA 0.104 55.980 55.803 0.122 0.000 0.905 357 Q CB 0.261 29.054 28.738 0.092 0.000 1.186 357 Q HN 0.822 nan 8.270 nan 0.000 0.399 358 D N 1.451 121.905 120.400 0.090 0.000 3.012 358 D HA -0.152 4.489 4.640 0.000 0.000 0.222 358 D C -1.057 174.918 176.300 -0.541 0.000 1.167 358 D CA 0.597 54.567 54.000 -0.050 0.000 0.854 358 D CB -1.407 39.391 40.800 -0.003 0.000 1.107 358 D HN 0.208 nan 8.370 nan 0.000 0.421 359 V N 0.636 120.413 119.914 -0.229 0.000 2.483 359 V HA 0.419 4.539 4.120 0.000 0.000 0.297 359 V C 0.397 176.458 176.094 -0.054 0.000 1.027 359 V CA -0.500 61.626 62.300 -0.290 0.000 0.855 359 V CB 2.286 33.981 31.823 -0.214 0.000 0.995 359 V HN -0.023 nan 8.190 nan 0.000 0.424 360 T N 5.399 119.922 114.554 -0.052 0.000 2.771 360 T HA 0.639 4.989 4.350 0.000 0.000 0.281 360 T C -0.611 174.051 174.700 -0.063 0.000 0.982 360 T CA -0.103 62.092 62.100 0.158 0.000 0.978 360 T CB 0.581 69.645 68.868 0.325 0.000 0.930 360 T HN 0.282 nan 8.240 nan 0.000 0.447 361 F N 2.649 122.643 119.950 0.073 0.000 2.410 361 F HA 0.640 5.168 4.527 0.000 0.000 0.349 361 F C 0.324 176.182 175.800 0.096 0.000 1.117 361 F CA -0.742 57.306 58.000 0.079 0.000 1.104 361 F CB 1.344 40.412 39.000 0.113 0.000 1.122 361 F HN 0.257 nan 8.300 nan 0.000 0.483 362 V N 2.902 122.919 119.914 0.171 0.000 2.969 362 V HA 0.925 5.045 4.120 0.000 0.000 0.304 362 V C -0.496 175.655 176.094 0.095 0.000 1.192 362 V CA 0.302 62.687 62.300 0.143 0.000 0.962 362 V CB 1.392 33.285 31.823 0.117 0.000 1.045 362 V HN 1.239 nan 8.190 nan 0.000 0.428 363 G N 4.930 113.807 108.800 0.128 0.000 2.462 363 G HA2 -0.076 3.884 3.960 0.000 0.000 0.685 363 G HA3 -0.076 3.884 3.960 0.000 0.000 0.685 363 G C 0.151 175.108 174.900 0.095 0.000 1.295 363 G CA 0.255 45.428 45.100 0.121 0.000 0.941 363 G HN 1.335 nan 8.290 nan 0.000 0.554 364 R N -0.482 120.082 120.500 0.106 0.000 2.083 364 R HA 0.015 4.355 4.340 0.000 0.000 0.237 364 R C 2.354 178.701 176.300 0.079 0.000 1.137 364 R CA 2.193 58.335 56.100 0.071 0.000 0.951 364 R CB -0.365 30.007 30.300 0.120 0.000 0.851 364 R HN 0.533 nan 8.270 nan 0.000 0.434 365 L N -0.314 120.964 121.223 0.092 0.000 2.162 365 L HA 0.083 4.424 4.340 0.000 0.000 0.205 365 L C 2.655 179.675 176.870 0.250 0.000 1.086 365 L CA 0.859 55.793 54.840 0.156 0.000 0.778 365 L CB -0.375 41.657 42.059 -0.046 0.000 0.928 365 L HN 0.265 nan 8.230 nan 0.000 0.446 366 A N -0.006 122.918 122.820 0.173 0.000 2.014 366 A HA -0.114 4.207 4.320 0.000 0.000 0.218 366 A C 2.109 179.921 177.584 0.381 0.000 1.163 366 A CA 1.823 54.053 52.037 0.321 0.000 0.652 366 A CB -0.589 18.556 19.000 0.241 0.000 0.808 366 A HN 0.473 nan 8.150 nan 0.000 0.449 367 T N -7.133 107.555 114.554 0.223 0.000 3.085 367 T HA 0.220 4.571 4.350 0.000 0.000 0.264 367 T C 0.262 174.858 174.700 -0.174 0.000 1.019 367 T CA 0.074 62.267 62.100 0.156 0.000 0.910 367 T CB -0.439 68.501 68.868 0.120 0.000 1.059 367 T HN 0.573 nan 8.240 nan 0.000 0.542 368 Y N 2.162 122.281 120.300 -0.301 0.000 3.027 368 Y HA -0.254 4.297 4.550 0.000 0.000 0.195 368 Y C -0.304 175.382 175.900 -0.358 0.000 1.381 368 Y CA 0.010 57.851 58.100 -0.432 0.000 1.015 368 Y CB -1.685 36.166 38.460 -1.015 0.000 1.329 368 Y HN 0.428 nan 8.280 nan 0.000 0.462 369 R N 1.710 122.020 120.500 -0.317 0.000 2.476 369 R HA 0.223 4.563 4.340 0.000 0.000 0.305 369 R C -0.937 175.270 176.300 -0.156 0.000 0.965 369 R CA -1.114 54.746 56.100 -0.399 0.000 0.867 369 R CB 1.014 30.740 30.300 -0.957 0.000 1.176 369 R HN 0.173 nan 8.270 nan 0.000 0.447 370 Y N 4.712 124.952 120.300 -0.100 0.000 2.518 370 Y HA 0.066 4.616 4.550 0.000 0.000 0.337 370 Y C -1.131 174.938 175.900 0.282 0.000 1.261 370 Y CA -0.441 57.726 58.100 0.112 0.000 1.856 370 Y CB -0.329 38.237 38.460 0.177 0.000 1.798 370 Y HN 0.369 nan 8.280 nan 0.000 0.440 371 Y N 2.771 123.240 120.300 0.283 0.000 2.360 371 Y HA 0.299 4.849 4.550 0.000 0.000 0.337 371 Y C 0.554 176.523 175.900 0.116 0.000 1.039 371 Y CA -1.722 56.461 58.100 0.138 0.000 1.109 371 Y CB 0.868 39.385 38.460 0.095 0.000 1.201 371 Y HN 0.374 nan 8.280 nan 0.000 0.458 372 N N 2.744 121.511 118.700 0.112 0.000 2.424 372 N HA 0.134 4.874 4.740 0.000 0.000 0.257 372 N C 1.319 176.766 175.510 -0.104 0.000 1.250 372 N CA -0.117 52.920 53.050 -0.021 0.000 0.946 372 N CB 0.611 38.981 38.487 -0.195 0.000 1.175 372 N HN 0.681 nan 8.380 nan 0.000 0.477 373 M N 0.320 119.821 119.600 -0.164 0.000 2.108 373 M HA -0.238 4.243 4.480 0.000 0.000 0.257 373 M C 1.414 177.503 176.300 -0.352 0.000 1.071 373 M CA 1.699 56.798 55.300 -0.335 0.000 1.093 373 M CB -0.337 32.035 32.600 -0.381 0.000 1.345 373 M HN 0.578 nan 8.290 nan 0.000 0.403 374 D N -0.336 119.882 120.400 -0.303 0.000 2.183 374 D HA -0.183 4.457 4.640 0.000 0.000 0.203 374 D C 1.682 177.870 176.300 -0.186 0.000 0.969 374 D CA 1.284 55.177 54.000 -0.178 0.000 0.842 374 D CB -0.613 39.991 40.800 -0.328 0.000 0.957 374 D HN 0.496 nan 8.370 nan 0.000 0.484 375 Q N 0.290 119.922 119.800 -0.281 0.000 2.079 375 Q HA -0.059 4.282 4.340 0.000 0.000 0.200 375 Q C 2.590 178.442 176.000 -0.248 0.000 0.974 375 Q CA 1.078 56.639 55.803 -0.404 0.000 0.840 375 Q CB 0.092 28.370 28.738 -0.766 0.000 0.898 375 Q HN 0.194 nan 8.270 nan 0.000 0.430 376 V N 0.180 120.059 119.914 -0.058 0.000 2.427 376 V HA -0.214 3.906 4.120 0.000 0.000 0.248 376 V C 2.209 178.358 176.094 0.092 0.000 1.051 376 V CA 1.258 63.636 62.300 0.131 0.000 1.048 376 V CB -0.346 31.589 31.823 0.186 0.000 0.666 376 V HN 0.184 nan 8.190 nan 0.000 0.456 377 V N 0.377 120.307 119.914 0.027 0.000 2.295 377 V HA -0.281 3.839 4.120 0.000 0.000 0.246 377 V C 2.718 178.826 176.094 0.024 0.000 1.049 377 V CA 2.133 64.478 62.300 0.076 0.000 1.024 377 V CB -1.143 30.748 31.823 0.113 0.000 0.648 377 V HN 0.566 nan 8.190 nan 0.000 0.447 378 A N -0.948 121.866 122.820 -0.010 0.000 1.877 378 A HA -0.320 4.000 4.320 0.000 0.000 0.216 378 A C 2.268 179.862 177.584 0.017 0.000 1.186 378 A CA 2.185 54.210 52.037 -0.020 0.000 0.620 378 A CB -0.613 18.358 19.000 -0.049 0.000 0.822 378 A HN 0.596 nan 8.150 nan 0.000 0.443 379 Q N -0.617 119.215 119.800 0.053 0.000 2.096 379 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 379 Q C 2.229 178.297 176.000 0.113 0.000 0.982 379 Q CA 1.675 57.554 55.803 0.126 0.000 0.850 379 Q CB -0.332 28.554 28.738 0.247 0.000 0.901 379 Q HN 0.624 nan 8.270 nan 0.000 0.422 380 A N 0.717 123.596 122.820 0.099 0.000 1.902 380 A HA -0.158 4.162 4.320 0.000 0.000 0.217 380 A C 2.060 179.683 177.584 0.065 0.000 1.181 380 A CA 1.161 53.248 52.037 0.083 0.000 0.623 380 A CB -0.691 18.356 19.000 0.078 0.000 0.818 380 A HN 0.437 nan 8.150 nan 0.000 0.443 381 L N -0.850 120.378 121.223 0.009 0.000 2.046 381 L HA -0.209 4.131 4.340 0.000 0.000 0.208 381 L C 3.108 180.038 176.870 0.100 0.000 1.077 381 L CA 1.151 55.994 54.840 0.005 0.000 0.747 381 L CB -0.574 41.419 42.059 -0.109 0.000 0.896 381 L HN 0.449 nan 8.230 nan 0.000 0.432 382 A N -0.624 122.238 122.820 0.069 0.000 1.898 382 A HA -0.181 4.139 4.320 0.000 0.000 0.216 382 A C 2.352 179.983 177.584 0.078 0.000 1.181 382 A CA 2.189 54.266 52.037 0.067 0.000 0.620 382 A CB -0.861 18.176 19.000 0.062 0.000 0.819 382 A HN 0.362 nan 8.150 nan 0.000 0.442 383 T N -0.616 114.000 114.554 0.104 0.000 2.720 383 T HA -0.151 4.200 4.350 0.000 0.000 0.268 383 T C 1.577 176.344 174.700 0.112 0.000 1.037 383 T CA 1.640 63.805 62.100 0.109 0.000 1.144 383 T CB -0.402 68.542 68.868 0.126 0.000 0.864 383 T HN 0.520 nan 8.240 nan 0.000 0.444 384 F N 2.238 122.177 119.950 -0.018 0.000 2.171 384 F HA -0.061 4.466 4.527 0.000 0.000 0.300 384 F C 2.247 178.032 175.800 -0.024 0.000 1.090 384 F CA 1.204 59.178 58.000 -0.042 0.000 1.293 384 F CB -0.229 38.733 39.000 -0.063 0.000 1.013 384 F HN -0.038 nan 8.300 nan 0.000 0.486 385 R N -0.166 120.228 120.500 -0.178 0.000 2.115 385 R HA -0.019 4.321 4.340 0.000 0.000 0.226 385 R C 2.394 178.579 176.300 -0.193 0.000 1.100 385 R CA 1.134 57.070 56.100 -0.273 0.000 0.980 385 R CB -0.284 29.962 30.300 -0.090 0.000 0.875 385 R HN 0.265 nan 8.270 nan 0.000 0.445 386 R N 0.147 120.592 120.500 -0.092 0.000 2.075 386 R HA -0.079 4.261 4.340 0.000 0.000 0.232 386 R C 1.980 178.235 176.300 -0.075 0.000 1.126 386 R CA 0.927 56.996 56.100 -0.052 0.000 0.963 386 R CB -0.316 29.988 30.300 0.008 0.000 0.858 386 R HN 0.078 nan 8.270 nan 0.000 0.435 387 L N 1.390 122.557 121.223 -0.094 0.000 2.079 387 L HA -0.192 4.148 4.340 0.000 0.000 0.210 387 L C 2.295 179.084 176.870 -0.136 0.000 1.081 387 L CA 1.731 56.518 54.840 -0.088 0.000 0.752 387 L CB -0.797 41.234 42.059 -0.046 0.000 0.896 387 L HN 0.208 nan 8.230 nan 0.000 0.433 388 Q N -1.279 118.356 119.800 -0.274 0.000 2.297 388 Q HA -0.032 4.309 4.340 0.000 0.000 0.204 388 Q C 2.026 177.939 176.000 -0.145 0.000 0.962 388 Q CA 1.189 56.834 55.803 -0.264 0.000 0.879 388 Q CB -0.197 28.257 28.738 -0.475 0.000 0.947 388 Q HN 0.584 nan 8.270 nan 0.000 0.462 389 G N 0.605 109.333 108.800 -0.121 0.000 2.511 389 G HA2 -0.124 3.836 3.960 0.000 0.000 0.217 389 G HA3 -0.124 3.836 3.960 0.000 0.000 0.217 389 G C 0.715 175.590 174.900 -0.041 0.000 1.133 389 G CA -0.014 45.045 45.100 -0.069 0.000 0.792 389 G HN 0.272 nan 8.290 nan 0.000 0.539 390 Q N 0.000 119.776 119.800 -0.039 0.000 2.315 390 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 390 Q CA 0.000 55.791 55.803 -0.020 0.000 1.022 390 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481