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 2hs6_1_B DATA FIRST_RESID 10 DATA SEQUENCE NPLFSPYKMG KFNLSHRVVL APMTRCRALN NIPQAALGEY YEQRATAGGF DATA SEQUENCE LITEGTMISP TSAGFPHVPG IFTKEQVREW KKIVDVVHAK GAVIFCQLWH DATA SEQUENCE VGRASHEVYQ PAGAAPISST EKPISNRWRI LMPDGTHGIY PKPRAIGTYE DATA SEQUENCE ISQVVEDYRR SALNAIEAGF DGIEIHGAHG YLIDQFLKDG INDRTDEYGG DATA SEQUENCE SLANRCKFIT QVVQAVVSAI GADRVGVRVS PAIDHLDAMD SNPLSLGLAV DATA SEQUENCE VERLNKIQLH SGSKLAYLHV TQPRXXXXXX XXXXXXXXEE EEARLMRTLR DATA SEQUENCE NAYQGTFICS GGYTRELGIE AVAQGDADLV SYGRLFISNP DLVMRIKLNA DATA SEQUENCE PLNKYNRKTF YTQDPVVGYT DYPFLQ 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.618 175.510 0.181 0.000 1.280 10 N CA 0.000 53.146 53.050 0.160 0.000 0.885 10 N CB 0.000 38.629 38.487 0.237 0.000 1.341 11 P HA -0.098 nan 4.420 nan 0.000 0.218 11 P C 1.247 178.577 177.300 0.049 0.000 1.146 11 P CA 0.739 63.889 63.100 0.082 0.000 0.813 11 P CB 0.318 32.052 31.700 0.057 0.000 0.778 12 L N -2.794 118.445 121.223 0.026 0.000 2.353 12 L HA -0.113 4.227 4.340 0.001 0.000 0.220 12 L C 1.078 177.693 176.870 -0.424 0.000 1.133 12 L CA 1.097 55.828 54.840 -0.181 0.000 0.798 12 L CB -0.519 41.400 42.059 -0.234 0.000 0.922 12 L HN -0.026 nan 8.230 nan 0.000 0.445 13 F N -1.465 118.530 119.950 0.075 0.000 2.772 13 F HA 0.176 4.704 4.527 0.001 0.000 0.302 13 F C 1.098 176.953 175.800 0.092 0.000 1.136 13 F CA -0.319 57.740 58.000 0.098 0.000 1.322 13 F CB 0.312 39.348 39.000 0.060 0.000 0.967 13 F HN -0.198 nan 8.300 nan 0.000 0.513 14 S N 1.560 117.344 115.700 0.140 0.000 2.513 14 S HA 0.416 4.887 4.470 0.001 0.000 0.276 14 S C -2.390 172.282 174.600 0.121 0.000 1.254 14 S CA -1.565 56.709 58.200 0.125 0.000 1.053 14 S CB 0.784 64.044 63.200 0.101 0.000 0.958 14 S HN -0.098 nan 8.310 nan 0.000 0.491 15 P HA 0.229 nan 4.420 nan 0.000 0.271 15 P C -1.551 175.836 177.300 0.144 0.000 1.233 15 P CA -0.038 63.123 63.100 0.102 0.000 0.789 15 P CB 0.224 31.964 31.700 0.066 0.000 0.951 16 Y N 0.142 120.426 120.300 -0.027 0.000 2.482 16 Y HA 0.356 4.907 4.550 0.001 0.000 0.334 16 Y C -0.621 175.255 175.900 -0.039 0.000 1.091 16 Y CA -1.076 57.003 58.100 -0.035 0.000 1.027 16 Y CB 1.848 40.276 38.460 -0.054 0.000 1.306 16 Y HN 0.119 nan 8.280 nan 0.000 0.446 17 K N 7.218 127.166 120.400 -0.753 0.000 2.266 17 K HA 0.357 4.678 4.320 0.001 0.000 0.274 17 K C -0.802 175.520 176.600 -0.462 0.000 1.090 17 K CA -0.525 55.486 56.287 -0.459 0.000 0.925 17 K CB 0.483 32.776 32.500 -0.345 0.000 1.225 17 K HN 0.876 nan 8.250 nan 0.000 0.458 18 M N 5.954 125.501 119.600 -0.088 0.000 3.347 18 M HA 0.170 4.650 4.480 0.001 0.000 0.260 18 M C 0.306 176.676 176.300 0.117 0.000 1.362 18 M CA 0.540 55.894 55.300 0.090 0.000 1.497 18 M CB -0.351 32.283 32.600 0.056 0.000 1.080 18 M HN 1.033 nan 8.290 nan 0.000 0.592 19 G N 2.824 111.631 108.800 0.012 0.000 2.536 19 G HA2 -0.328 3.633 3.960 0.001 0.000 0.280 19 G HA3 -0.328 3.633 3.960 0.001 0.000 0.280 19 G C 0.346 175.166 174.900 -0.132 0.000 1.152 19 G CA 0.288 45.378 45.100 -0.017 0.000 0.970 19 G HN 0.645 nan 8.290 nan 0.000 0.549 20 K N 0.152 120.364 120.400 -0.313 0.000 2.439 20 K HA 0.183 4.503 4.320 0.001 0.000 0.197 20 K C 0.222 176.474 176.600 -0.580 0.000 1.041 20 K CA 0.559 56.535 56.287 -0.518 0.000 0.970 20 K CB -0.049 32.018 32.500 -0.722 0.000 0.773 20 K HN 0.278 nan 8.250 nan 0.000 0.479 21 F N 1.944 121.865 119.950 -0.049 0.000 2.404 21 F HA 0.225 4.752 4.527 0.001 0.000 0.354 21 F C 0.127 175.872 175.800 -0.092 0.000 1.122 21 F CA -1.298 56.664 58.000 -0.063 0.000 1.080 21 F CB 0.575 39.531 39.000 -0.074 0.000 1.131 21 F HN -0.145 nan 8.300 nan 0.000 0.471 22 N N 5.707 124.443 118.700 0.061 0.000 2.420 22 N HA 0.312 5.052 4.740 0.001 0.000 0.249 22 N C -0.743 174.781 175.510 0.024 0.000 1.033 22 N CA -0.290 52.763 53.050 0.006 0.000 0.944 22 N CB 1.554 40.031 38.487 -0.017 0.000 1.113 22 N HN 0.534 nan 8.380 nan 0.000 0.502 23 L N 0.977 122.206 121.223 0.010 0.000 2.350 23 L HA 0.194 4.535 4.340 0.001 0.000 0.275 23 L C 1.446 178.306 176.870 -0.018 0.000 1.099 23 L CA -0.338 54.485 54.840 -0.028 0.000 0.808 23 L CB 1.098 43.125 42.059 -0.053 0.000 1.149 23 L HN 0.468 nan 8.230 nan 0.000 0.442 24 S N -0.420 115.252 115.700 -0.048 0.000 2.470 24 S HA -0.002 4.469 4.470 0.001 0.000 0.225 24 S C -0.061 174.613 174.600 0.122 0.000 1.006 24 S CA 0.453 58.689 58.200 0.060 0.000 0.934 24 S CB -0.151 63.132 63.200 0.138 0.000 0.778 24 S HN 0.841 nan 8.310 nan 0.000 0.517 25 H N -2.124 116.966 119.070 0.035 0.000 2.960 25 H HA 0.609 5.166 4.556 0.001 0.000 0.323 25 H C -0.335 174.910 175.328 -0.138 0.000 1.326 25 H CA -1.108 54.867 56.048 -0.122 0.000 1.124 25 H CB 0.607 30.189 29.762 -0.299 0.000 1.853 25 H HN -0.208 nan 8.280 nan 0.000 0.536 26 R N 0.425 120.880 120.500 -0.075 0.000 2.427 26 R HA 0.311 4.652 4.340 0.001 0.000 0.262 26 R C -0.540 175.763 176.300 0.005 0.000 0.943 26 R CA -0.125 55.923 56.100 -0.087 0.000 1.081 26 R CB 0.715 30.927 30.300 -0.146 0.000 1.166 26 R HN 0.260 nan 8.270 nan 0.000 0.534 27 V N 2.159 122.189 119.914 0.194 0.000 2.389 27 V HA 0.138 4.259 4.120 0.001 0.000 0.264 27 V C 0.186 176.459 176.094 0.298 0.000 1.049 27 V CA -0.320 62.099 62.300 0.199 0.000 0.932 27 V CB 1.253 33.051 31.823 -0.043 0.000 1.011 27 V HN -0.084 nan 8.190 nan 0.000 0.475 28 V N 6.150 126.196 119.914 0.219 0.000 2.630 28 V HA 0.406 4.526 4.120 0.001 0.000 0.305 28 V C -0.097 176.041 176.094 0.073 0.000 1.046 28 V CA -0.811 61.514 62.300 0.042 0.000 0.934 28 V CB 1.913 33.623 31.823 -0.188 0.000 1.003 28 V HN 0.698 nan 8.190 nan 0.000 0.451 29 L N 4.696 125.751 121.223 -0.279 0.000 2.295 29 L HA 0.678 5.019 4.340 0.001 0.000 0.288 29 L C 0.606 177.258 176.870 -0.363 0.000 1.079 29 L CA 0.208 54.702 54.840 -0.576 0.000 0.830 29 L CB 0.226 41.708 42.059 -0.962 0.000 1.200 29 L HN 0.796 nan 8.230 nan 0.000 0.438 30 A N 7.821 130.539 122.820 -0.171 0.000 2.445 30 A HA 0.485 4.806 4.320 0.001 0.000 0.242 30 A C -2.279 175.213 177.584 -0.153 0.000 1.075 30 A CA -0.989 50.974 52.037 -0.123 0.000 0.777 30 A CB -0.675 18.292 19.000 -0.055 0.000 1.013 30 A HN 0.686 nan 8.150 nan 0.000 0.493 31 P HA 0.210 nan 4.420 nan 0.000 0.267 31 P C -0.912 176.294 177.300 -0.155 0.000 1.205 31 P CA 0.632 63.641 63.100 -0.151 0.000 0.765 31 P CB 0.486 32.057 31.700 -0.215 0.000 0.828 32 M N 1.819 121.366 119.600 -0.089 0.000 2.224 32 M HA 0.184 4.664 4.480 0.001 0.000 0.281 32 M C -0.196 176.059 176.300 -0.075 0.000 1.025 32 M CA -0.347 54.882 55.300 -0.118 0.000 0.954 32 M CB 2.418 34.941 32.600 -0.128 0.000 1.639 32 M HN 0.099 nan 8.290 nan 0.000 0.461 33 T N 3.517 117.992 114.554 -0.132 0.000 2.799 33 T HA 0.225 4.576 4.350 0.001 0.000 0.296 33 T C 0.985 175.722 174.700 0.061 0.000 0.947 33 T CA -0.062 62.001 62.100 -0.061 0.000 1.141 33 T CB 0.460 69.170 68.868 -0.263 0.000 0.891 33 T HN 0.502 nan 8.240 nan 0.000 0.533 34 R N 1.040 121.565 120.500 0.042 0.000 2.419 34 R HA 0.211 4.552 4.340 0.001 0.000 0.235 34 R C 0.799 177.104 176.300 0.009 0.000 0.899 34 R CA -0.183 55.902 56.100 -0.025 0.000 1.048 34 R CB -0.891 29.300 30.300 -0.182 0.000 1.182 34 R HN 0.838 nan 8.270 nan 0.000 0.544 35 C N 1.543 120.894 119.300 0.085 0.000 4.454 35 C HA -0.121 4.339 4.460 0.001 0.000 0.298 35 C C 1.203 176.189 174.990 -0.007 0.000 1.384 35 C CA 0.607 59.702 59.018 0.129 0.000 2.002 35 C CB -1.969 25.931 27.740 0.267 0.000 1.249 35 C HN 0.392 nan 8.230 nan 0.000 0.783 36 R N 0.267 120.661 120.500 -0.177 0.000 2.362 36 R HA 0.411 4.751 4.340 0.001 0.000 0.227 36 R C 1.211 177.414 176.300 -0.162 0.000 0.905 36 R CA 0.873 56.793 56.100 -0.299 0.000 1.067 36 R CB 0.218 30.089 30.300 -0.715 0.000 1.078 36 R HN 0.622 nan 8.270 nan 0.000 0.516 37 A N 1.681 124.466 122.820 -0.058 0.000 3.037 37 A HA 0.216 4.536 4.320 0.001 0.000 0.272 37 A C -0.158 177.437 177.584 0.017 0.000 1.723 37 A CA -0.360 51.651 52.037 -0.043 0.000 1.413 37 A CB -0.855 18.129 19.000 -0.027 0.000 1.112 37 A HN 0.203 nan 8.150 nan 0.000 0.606 38 L N 1.456 122.641 121.223 -0.064 0.000 2.678 38 L HA -0.110 4.230 4.340 0.001 0.000 0.285 38 L C 0.413 177.324 176.870 0.069 0.000 1.233 38 L CA 0.102 54.886 54.840 -0.092 0.000 0.920 38 L CB -0.247 41.687 42.059 -0.208 0.000 1.176 38 L HN 0.729 nan 8.230 nan 0.000 0.495 39 N N 3.008 121.879 118.700 0.285 0.000 2.741 39 N HA -0.231 4.509 4.740 0.001 0.000 0.250 39 N C 0.148 175.714 175.510 0.093 0.000 1.115 39 N CA 1.081 54.236 53.050 0.175 0.000 0.724 39 N CB -1.014 37.521 38.487 0.079 0.000 1.090 39 N HN 0.868 nan 8.380 nan 0.000 0.558 40 N N -1.722 117.040 118.700 0.103 0.000 2.782 40 N HA -0.213 4.528 4.740 0.001 0.000 0.251 40 N C -0.397 175.084 175.510 -0.049 0.000 1.101 40 N CA 1.243 54.320 53.050 0.045 0.000 0.764 40 N CB -1.326 37.203 38.487 0.069 0.000 1.122 40 N HN 0.583 nan 8.380 nan 0.000 0.561 41 I N 0.923 121.449 120.570 -0.073 0.000 2.378 41 I HA 0.301 4.471 4.170 0.001 0.000 0.291 41 I C -2.227 173.757 176.117 -0.221 0.000 0.992 41 I CA -1.995 59.213 61.300 -0.153 0.000 1.154 41 I CB 1.906 39.839 38.000 -0.110 0.000 1.315 41 I HN -0.341 nan 8.210 nan 0.000 0.448 42 P HA 0.022 nan 4.420 nan 0.000 0.265 42 P C -0.952 176.190 177.300 -0.264 0.000 1.193 42 P CA -0.013 62.782 63.100 -0.508 0.000 0.765 42 P CB 0.463 31.551 31.700 -1.019 0.000 0.823 43 Q N 1.558 121.258 119.800 -0.167 0.000 2.306 43 Q HA 0.462 4.803 4.340 0.001 0.000 0.269 43 Q C 1.235 177.221 176.000 -0.024 0.000 1.053 43 Q CA -0.844 54.909 55.803 -0.084 0.000 0.879 43 Q CB 1.057 29.755 28.738 -0.068 0.000 1.344 43 Q HN 0.360 nan 8.270 nan 0.000 0.464 44 A N 0.701 123.522 122.820 0.000 0.000 1.978 44 A HA -0.164 4.157 4.320 0.001 0.000 0.220 44 A C 1.922 179.556 177.584 0.084 0.000 1.170 44 A CA 2.210 54.269 52.037 0.037 0.000 0.636 44 A CB -0.732 18.285 19.000 0.028 0.000 0.810 44 A HN 0.770 nan 8.150 nan 0.000 0.448 45 A N -0.434 122.444 122.820 0.098 0.000 1.908 45 A HA -0.065 4.255 4.320 0.001 0.000 0.218 45 A C 1.996 179.756 177.584 0.292 0.000 1.181 45 A CA 1.759 53.916 52.037 0.200 0.000 0.627 45 A CB -0.550 18.570 19.000 0.199 0.000 0.818 45 A HN 0.422 nan 8.150 nan 0.000 0.445 46 L N -0.088 121.287 121.223 0.252 0.000 2.083 46 L HA -0.079 4.262 4.340 0.001 0.000 0.209 46 L C 2.768 179.831 176.870 0.322 0.000 1.083 46 L CA 1.796 56.814 54.840 0.297 0.000 0.752 46 L CB -1.116 41.117 42.059 0.290 0.000 0.899 46 L HN 0.409 nan 8.230 nan 0.000 0.433 47 G N -1.317 107.628 108.800 0.241 0.000 2.446 47 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 47 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 47 G C 1.586 176.588 174.900 0.170 0.000 1.168 47 G CA 0.516 45.744 45.100 0.214 0.000 0.771 47 G HN 0.332 nan 8.290 nan 0.000 0.551 48 E N -0.325 119.953 120.200 0.131 0.000 2.031 48 E HA -0.165 4.186 4.350 0.001 0.000 0.193 48 E C 2.059 178.691 176.600 0.054 0.000 0.994 48 E CA 1.075 57.532 56.400 0.095 0.000 0.800 48 E CB -0.364 29.392 29.700 0.093 0.000 0.752 48 E HN 0.511 nan 8.360 nan 0.000 0.447 49 Y N 0.671 120.847 120.300 -0.206 0.000 2.053 49 Y HA -0.331 4.220 4.550 0.001 0.000 0.277 49 Y C 2.192 177.907 175.900 -0.309 0.000 1.159 49 Y CA 2.043 59.858 58.100 -0.475 0.000 1.125 49 Y CB -0.833 37.036 38.460 -0.984 0.000 0.969 49 Y HN 0.074 nan 8.280 nan 0.000 0.492 50 Y N 0.503 120.754 120.300 -0.082 0.000 2.224 50 Y HA -0.174 4.377 4.550 0.001 0.000 0.289 50 Y C 2.689 178.523 175.900 -0.110 0.000 1.146 50 Y CA 1.621 59.623 58.100 -0.165 0.000 1.182 50 Y CB -0.701 37.775 38.460 0.026 0.000 0.983 50 Y HN 0.245 nan 8.280 nan 0.000 0.524 51 E N 0.799 121.066 120.200 0.113 0.000 2.077 51 E HA -0.224 4.127 4.350 0.001 0.000 0.193 51 E C 1.766 178.421 176.600 0.090 0.000 0.989 51 E CA 1.375 57.831 56.400 0.093 0.000 0.800 51 E CB -0.071 29.685 29.700 0.093 0.000 0.746 51 E HN 0.601 nan 8.360 nan 0.000 0.452 52 Q N -0.308 119.539 119.800 0.078 0.000 2.170 52 Q HA -0.104 4.236 4.340 0.001 0.000 0.203 52 Q C 2.226 178.312 176.000 0.143 0.000 0.976 52 Q CA 1.241 57.164 55.803 0.200 0.000 0.858 52 Q CB -0.047 28.792 28.738 0.168 0.000 0.907 52 Q HN 0.181 nan 8.270 nan 0.000 0.433 53 R N 0.001 120.490 120.500 -0.018 0.000 2.254 53 R HA 0.213 4.553 4.340 0.001 0.000 0.195 53 R C 0.540 176.895 176.300 0.091 0.000 0.957 53 R CA 0.140 56.250 56.100 0.018 0.000 1.024 53 R CB 0.255 30.407 30.300 -0.246 0.000 0.952 53 R HN 0.027 nan 8.270 nan 0.000 0.484 54 A N 1.574 124.437 122.820 0.072 0.000 2.483 54 A HA 0.268 4.589 4.320 0.001 0.000 0.238 54 A C 0.372 178.048 177.584 0.153 0.000 1.070 54 A CA 0.311 52.408 52.037 0.100 0.000 0.770 54 A CB 0.224 19.275 19.000 0.085 0.000 1.008 54 A HN 0.300 nan 8.150 nan 0.000 0.497 55 T N -1.657 113.008 114.554 0.185 0.000 2.883 55 T HA 0.688 5.039 4.350 0.001 0.000 0.301 55 T C -0.291 174.527 174.700 0.198 0.000 1.158 55 T CA -0.101 62.128 62.100 0.215 0.000 1.007 55 T CB 1.345 70.399 68.868 0.309 0.000 1.186 55 T HN 1.748 nan 8.240 nan 0.000 0.499 56 A N 0.472 123.398 122.820 0.177 0.000 2.476 56 A HA 0.562 4.883 4.320 0.001 0.000 0.275 56 A C 1.628 179.298 177.584 0.144 0.000 1.133 56 A CA 0.409 52.531 52.037 0.142 0.000 0.797 56 A CB -1.572 17.499 19.000 0.118 0.000 1.081 56 A HN 2.458 nan 8.150 nan 0.000 0.510 57 G N 1.980 110.838 108.800 0.097 0.000 2.157 57 G HA2 -0.025 3.936 3.960 0.001 0.000 0.248 57 G HA3 -0.025 3.936 3.960 0.001 0.000 0.248 57 G C 0.749 175.588 174.900 -0.103 0.000 0.979 57 G CA 0.403 45.521 45.100 0.030 0.000 0.650 57 G HN 1.814 nan 8.290 nan 0.000 0.529 58 G N -0.524 108.261 108.800 -0.025 0.000 2.448 58 G HA2 0.601 4.561 3.960 0.001 0.000 0.285 58 G HA3 0.601 4.561 3.960 0.001 0.000 0.285 58 G C -0.631 174.297 174.900 0.047 0.000 1.176 58 G CA -0.527 44.510 45.100 -0.106 0.000 0.852 58 G HN 0.733 nan 8.290 nan 0.000 0.530 59 F N 2.103 121.946 119.950 -0.177 0.000 2.427 59 F HA 0.663 5.191 4.527 0.001 0.000 0.346 59 F C -0.588 175.106 175.800 -0.177 0.000 1.120 59 F CA -1.861 56.018 58.000 -0.202 0.000 1.033 59 F CB 1.087 39.904 39.000 -0.306 0.000 1.126 59 F HN 0.205 nan 8.300 nan 0.000 0.462 60 L N 7.106 128.075 121.223 -0.424 0.000 2.342 60 L HA 0.605 4.945 4.340 0.001 0.000 0.271 60 L C -0.784 175.643 176.870 -0.738 0.000 1.008 60 L CA -0.910 53.598 54.840 -0.553 0.000 0.818 60 L CB 2.308 44.211 42.059 -0.260 0.000 1.296 60 L HN 0.466 nan 8.230 nan 0.000 0.427 61 I N 1.066 121.274 120.570 -0.604 0.000 2.466 61 I HA 0.274 4.444 4.170 0.001 0.000 0.289 61 I C 0.452 176.452 176.117 -0.196 0.000 1.026 61 I CA -0.495 60.566 61.300 -0.399 0.000 1.078 61 I CB 2.312 40.070 38.000 -0.402 0.000 1.249 61 I HN 0.665 nan 8.210 nan 0.000 0.429 62 T N 2.098 116.555 114.554 -0.161 0.000 2.788 62 T HA 0.226 4.576 4.350 0.001 0.000 0.287 62 T C 0.342 175.081 174.700 0.065 0.000 1.007 62 T CA -0.747 61.340 62.100 -0.022 0.000 1.005 62 T CB 0.829 69.612 68.868 -0.142 0.000 1.012 62 T HN 0.672 nan 8.240 nan 0.000 0.530 63 E N 0.670 121.022 120.200 0.254 0.000 2.442 63 E HA 0.211 4.561 4.350 0.001 0.000 0.260 63 E C 0.732 177.374 176.600 0.071 0.000 1.148 63 E CA -0.609 55.870 56.400 0.131 0.000 0.976 63 E CB -0.187 29.652 29.700 0.232 0.000 0.967 63 E HN 0.897 nan 8.360 nan 0.000 0.454 64 G N 0.902 109.659 108.800 -0.072 0.000 2.353 64 G HA2 0.191 4.151 3.960 0.001 0.000 0.239 64 G HA3 0.191 4.151 3.960 0.001 0.000 0.239 64 G C -0.651 174.485 174.900 0.393 0.000 1.295 64 G CA -0.121 45.021 45.100 0.069 0.000 0.884 64 G HN 0.438 nan 8.290 nan 0.000 0.537 65 T N 3.504 118.266 114.554 0.347 0.000 2.841 65 T HA 0.373 4.724 4.350 0.001 0.000 0.285 65 T C 0.563 175.406 174.700 0.238 0.000 0.991 65 T CA -0.426 61.856 62.100 0.305 0.000 0.966 65 T CB 1.254 70.245 68.868 0.206 0.000 0.962 65 T HN 0.498 nan 8.240 nan 0.000 0.438 66 M N 3.263 122.991 119.600 0.213 0.000 2.245 66 M HA 0.143 4.624 4.480 0.001 0.000 0.335 66 M C 1.405 177.815 176.300 0.183 0.000 1.155 66 M CA 0.472 55.848 55.300 0.127 0.000 1.055 66 M CB 0.273 33.014 32.600 0.235 0.000 1.670 66 M HN 0.707 nan 8.290 nan 0.000 0.447 67 I N -1.287 119.258 120.570 -0.041 0.000 4.057 67 I HA 0.294 4.465 4.170 0.001 0.000 0.334 67 I C 0.221 176.205 176.117 -0.221 0.000 1.308 67 I CA -0.171 61.075 61.300 -0.089 0.000 1.125 67 I CB 0.265 38.047 38.000 -0.363 0.000 1.034 67 I HN 0.658 nan 8.210 nan 0.000 0.401 68 S N -0.742 114.640 115.700 -0.531 0.000 2.595 68 S HA 0.480 4.950 4.470 0.001 0.000 0.270 68 S C -2.643 171.286 174.600 -1.118 0.000 1.145 68 S CA -0.786 56.848 58.200 -0.944 0.000 0.825 68 S CB 1.371 64.305 63.200 -0.443 0.000 1.107 68 S HN -0.237 nan 8.310 nan 0.000 0.461 69 P HA -0.001 nan 4.420 nan 0.000 0.222 69 P C 1.170 178.297 177.300 -0.288 0.000 1.147 69 P CA 1.690 64.489 63.100 -0.503 0.000 0.790 69 P CB -0.185 31.348 31.700 -0.278 0.000 0.780 70 T N -5.202 109.171 114.554 -0.303 0.000 3.145 70 T HA 0.112 4.463 4.350 0.001 0.000 0.255 70 T C 1.235 175.700 174.700 -0.392 0.000 1.039 70 T CA 0.270 62.237 62.100 -0.221 0.000 0.928 70 T CB -0.734 68.071 68.868 -0.106 0.000 1.029 70 T HN 0.064 nan 8.240 nan 0.000 0.554 71 S N 0.188 115.537 115.700 -0.584 0.000 2.577 71 S HA 0.644 5.114 4.470 0.001 0.000 0.219 71 S C 0.768 174.923 174.600 -0.743 0.000 0.962 71 S CA -0.397 57.189 58.200 -1.023 0.000 0.921 71 S CB -0.085 62.569 63.200 -0.912 0.000 0.789 71 S HN 0.702 nan 8.310 nan 0.000 0.497 72 A N 0.175 122.705 122.820 -0.484 0.000 2.295 72 A HA 0.782 5.102 4.320 0.001 0.000 0.318 72 A C 0.772 178.094 177.584 -0.437 0.000 1.134 72 A CA -0.367 51.381 52.037 -0.481 0.000 0.827 72 A CB 0.978 19.799 19.000 -0.298 0.000 1.136 72 A HN 0.648 nan 8.150 nan 0.000 0.493 73 G N -0.261 108.212 108.800 -0.545 0.000 4.213 73 G HA2 0.477 4.437 3.960 0.001 0.000 0.274 73 G HA3 0.477 4.437 3.960 0.001 0.000 0.274 73 G C -0.624 173.840 174.900 -0.727 0.000 1.033 73 G CA 0.054 44.886 45.100 -0.446 0.000 0.822 73 G HN 0.360 nan 8.290 nan 0.000 0.432 74 F N 0.893 120.266 119.950 -0.962 0.000 2.599 74 F HA 0.569 5.097 4.527 0.001 0.000 0.311 74 F C -2.238 173.150 175.800 -0.686 0.000 1.076 74 F CA -2.299 55.293 58.000 -0.681 0.000 0.937 74 F CB 3.145 42.034 39.000 -0.186 0.000 1.282 74 F HN -0.202 nan 8.300 nan 0.000 0.460 75 P HA 0.142 nan 4.420 nan 0.000 0.284 75 P C -0.919 176.345 177.300 -0.061 0.000 1.253 75 P CA 0.169 63.203 63.100 -0.109 0.000 0.800 75 P CB 0.656 32.364 31.700 0.012 0.000 0.961 76 H N -1.127 117.997 119.070 0.089 0.000 2.677 76 H HA -0.112 4.445 4.556 0.001 0.000 0.321 76 H C 0.160 175.524 175.328 0.059 0.000 1.171 76 H CA 0.561 56.642 56.048 0.055 0.000 1.139 76 H CB -2.275 27.506 29.762 0.032 0.000 1.515 76 H HN 0.362 nan 8.280 nan 0.000 0.423 77 V N -1.044 118.945 119.914 0.126 0.000 2.532 77 V HA 0.614 4.735 4.120 0.001 0.000 0.295 77 V C -1.799 174.383 176.094 0.147 0.000 1.041 77 V CA -2.079 60.316 62.300 0.157 0.000 0.926 77 V CB 2.492 34.421 31.823 0.176 0.000 0.992 77 V HN -0.008 nan 8.190 nan 0.000 0.457 78 P HA 0.363 nan 4.420 nan 0.000 0.272 78 P C 0.061 177.510 177.300 0.248 0.000 1.230 78 P CA 0.464 63.660 63.100 0.160 0.000 0.788 78 P CB 1.225 33.039 31.700 0.190 0.000 0.949 79 G N 0.163 109.069 108.800 0.176 0.000 2.685 79 G HA2 0.621 4.582 3.960 0.001 0.000 0.298 79 G HA3 0.621 4.582 3.960 0.001 0.000 0.298 79 G C -0.907 174.122 174.900 0.215 0.000 1.277 79 G CA -0.799 44.407 45.100 0.176 0.000 0.986 79 G HN 0.558 nan 8.290 nan 0.000 0.487 80 I N 0.320 120.985 120.570 0.158 0.000 3.013 80 I HA 0.250 4.420 4.170 0.001 0.000 0.321 80 I C 0.182 176.367 176.117 0.114 0.000 1.497 80 I CA -0.482 60.927 61.300 0.181 0.000 0.862 80 I CB 0.008 38.106 38.000 0.163 0.000 1.654 80 I HN 0.459 nan 8.210 nan 0.000 0.609 81 F N -0.055 119.943 119.950 0.080 0.000 2.678 81 F HA 0.471 4.999 4.527 0.001 0.000 0.305 81 F C 0.700 176.526 175.800 0.043 0.000 1.090 81 F CA -0.139 57.883 58.000 0.037 0.000 1.272 81 F CB -0.607 38.395 39.000 0.002 0.000 1.060 81 F HN 0.038 nan 8.300 nan 0.000 0.576 82 T N -2.890 111.521 114.554 -0.237 0.000 2.924 82 T HA 0.383 4.734 4.350 0.001 0.000 0.291 82 T C 0.701 175.371 174.700 -0.050 0.000 1.045 82 T CA -0.852 61.181 62.100 -0.111 0.000 1.015 82 T CB 2.314 71.055 68.868 -0.212 0.000 1.103 82 T HN -0.153 nan 8.240 nan 0.000 0.496 83 K N 0.869 121.267 120.400 -0.004 0.000 2.097 83 K HA -0.084 4.236 4.320 0.001 0.000 0.206 83 K C 1.975 178.577 176.600 0.003 0.000 1.049 83 K CA 1.479 57.775 56.287 0.015 0.000 0.933 83 K CB -0.419 32.094 32.500 0.022 0.000 0.717 83 K HN 0.908 nan 8.250 nan 0.000 0.442 84 E N 1.267 121.452 120.200 -0.025 0.000 2.058 84 E HA -0.239 4.111 4.350 0.001 0.000 0.194 84 E C 1.908 178.480 176.600 -0.046 0.000 0.997 84 E CA 1.369 57.748 56.400 -0.035 0.000 0.801 84 E CB 0.112 29.781 29.700 -0.052 0.000 0.746 84 E HN 0.354 nan 8.360 nan 0.000 0.450 85 Q N -0.125 119.629 119.800 -0.077 0.000 2.084 85 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 85 Q C 2.365 178.426 176.000 0.100 0.000 0.978 85 Q CA 1.611 57.371 55.803 -0.070 0.000 0.844 85 Q CB 0.018 28.682 28.738 -0.124 0.000 0.898 85 Q HN 0.202 nan 8.270 nan 0.000 0.426 86 V N 1.064 121.063 119.914 0.141 0.000 2.287 86 V HA -0.301 3.820 4.120 0.001 0.000 0.248 86 V C 2.241 178.438 176.094 0.171 0.000 1.053 86 V CA 1.918 64.347 62.300 0.215 0.000 1.027 86 V CB -0.533 31.368 31.823 0.130 0.000 0.646 86 V HN 0.311 nan 8.190 nan 0.000 0.447 87 R N -0.367 120.184 120.500 0.084 0.000 2.091 87 R HA -0.159 4.182 4.340 0.001 0.000 0.238 87 R C 2.333 178.661 176.300 0.048 0.000 1.136 87 R CA 1.464 57.597 56.100 0.055 0.000 0.959 87 R CB -0.252 30.062 30.300 0.025 0.000 0.856 87 R HN 0.521 nan 8.270 nan 0.000 0.437 88 E N -0.590 119.617 120.200 0.013 0.000 2.107 88 E HA -0.173 4.178 4.350 0.001 0.000 0.191 88 E C 1.728 178.327 176.600 -0.000 0.000 0.982 88 E CA 0.861 57.235 56.400 -0.043 0.000 0.809 88 E CB -0.258 29.355 29.700 -0.145 0.000 0.756 88 E HN 0.440 nan 8.360 nan 0.000 0.459 89 W N 1.922 123.239 121.300 0.030 0.000 2.363 89 W HA -0.144 4.516 4.660 0.001 0.000 0.296 89 W C 2.540 179.003 176.519 -0.093 0.000 1.212 89 W CA 1.065 58.429 57.345 0.031 0.000 1.260 89 W CB 0.007 29.562 29.460 0.159 0.000 1.131 89 W HN 0.064 nan 8.180 nan 0.000 0.530 90 K N 1.099 121.607 120.400 0.179 0.000 2.074 90 K HA -0.253 4.067 4.320 0.001 0.000 0.209 90 K C 1.745 178.354 176.600 0.014 0.000 1.048 90 K CA 1.846 58.158 56.287 0.042 0.000 0.926 90 K CB -0.166 32.364 32.500 0.050 0.000 0.713 90 K HN 0.074 nan 8.250 nan 0.000 0.444 91 K N 0.235 120.658 120.400 0.038 0.000 2.097 91 K HA -0.102 4.219 4.320 0.001 0.000 0.206 91 K C 2.102 178.721 176.600 0.031 0.000 1.049 91 K CA 1.548 57.852 56.287 0.027 0.000 0.933 91 K CB -0.107 32.408 32.500 0.025 0.000 0.717 91 K HN 0.207 nan 8.250 nan 0.000 0.442 92 I N 0.522 121.129 120.570 0.063 0.000 2.233 92 I HA -0.237 3.934 4.170 0.001 0.000 0.243 92 I C 2.164 178.262 176.117 -0.032 0.000 1.093 92 I CA 0.891 62.249 61.300 0.097 0.000 1.380 92 I CB -0.259 37.896 38.000 0.259 0.000 1.067 92 I HN -0.096 nan 8.210 nan 0.000 0.413 93 V N 0.895 120.702 119.914 -0.178 0.000 2.392 93 V HA -0.303 3.818 4.120 0.001 0.000 0.249 93 V C 2.082 177.975 176.094 -0.335 0.000 1.059 93 V CA 1.939 63.963 62.300 -0.460 0.000 1.051 93 V CB -0.737 30.688 31.823 -0.663 0.000 0.658 93 V HN 0.405 nan 8.190 nan 0.000 0.455 94 D N 0.172 120.498 120.400 -0.123 0.000 2.104 94 D HA -0.138 4.502 4.640 0.001 0.000 0.194 94 D C 2.204 178.513 176.300 0.014 0.000 0.994 94 D CA 1.436 55.431 54.000 -0.008 0.000 0.830 94 D CB -0.423 40.388 40.800 0.019 0.000 0.959 94 D HN 0.325 nan 8.370 nan 0.000 0.452 95 V N 0.776 120.693 119.914 0.005 0.000 2.407 95 V HA -0.203 3.918 4.120 0.001 0.000 0.248 95 V C 2.638 178.751 176.094 0.032 0.000 1.055 95 V CA 1.003 63.323 62.300 0.033 0.000 1.049 95 V CB -0.392 31.461 31.823 0.049 0.000 0.662 95 V HN 0.055 nan 8.190 nan 0.000 0.455 96 V N -0.702 119.197 119.914 -0.025 0.000 2.307 96 V HA -0.240 3.880 4.120 0.001 0.000 0.245 96 V C 2.435 178.550 176.094 0.034 0.000 1.045 96 V CA 1.946 64.225 62.300 -0.035 0.000 1.024 96 V CB -0.879 30.845 31.823 -0.165 0.000 0.651 96 V HN 0.571 nan 8.190 nan 0.000 0.449 97 H N 0.359 119.434 119.070 0.009 0.000 2.423 97 H HA 0.031 4.587 4.556 0.001 0.000 0.297 97 H C 2.320 177.666 175.328 0.031 0.000 1.075 97 H CA 1.260 57.320 56.048 0.020 0.000 1.342 97 H CB -0.546 29.220 29.762 0.007 0.000 1.395 97 H HN 0.440 nan 8.280 nan 0.000 0.530 98 A N 0.999 123.908 122.820 0.148 0.000 2.070 98 A HA -0.122 4.199 4.320 0.001 0.000 0.220 98 A C 2.099 179.734 177.584 0.086 0.000 1.159 98 A CA 1.159 53.254 52.037 0.096 0.000 0.656 98 A CB -0.071 18.970 19.000 0.070 0.000 0.800 98 A HN 0.129 nan 8.150 nan 0.000 0.453 99 K N -1.433 119.025 120.400 0.097 0.000 2.444 99 K HA 0.143 4.463 4.320 0.001 0.000 0.193 99 K C 1.120 177.784 176.600 0.106 0.000 1.024 99 K CA 0.737 57.080 56.287 0.093 0.000 1.077 99 K CB -0.003 32.554 32.500 0.094 0.000 0.833 99 K HN 0.747 nan 8.250 nan 0.000 0.517 100 G N 1.171 110.045 108.800 0.122 0.000 2.143 100 G HA2 -0.278 3.683 3.960 0.001 0.000 0.249 100 G HA3 -0.278 3.683 3.960 0.001 0.000 0.249 100 G C 0.265 175.249 174.900 0.140 0.000 0.981 100 G CA 0.322 45.492 45.100 0.117 0.000 0.665 100 G HN 0.511 nan 8.290 nan 0.000 0.528 101 A N -0.846 122.075 122.820 0.169 0.000 2.271 101 A HA 0.846 5.166 4.320 0.001 0.000 0.288 101 A C 0.327 178.047 177.584 0.227 0.000 1.094 101 A CA -0.002 52.132 52.037 0.162 0.000 0.828 101 A CB 1.461 20.535 19.000 0.124 0.000 1.091 101 A HN 1.127 nan 8.150 nan 0.000 0.493 102 V N 1.474 121.505 119.914 0.194 0.000 2.483 102 V HA 0.521 4.642 4.120 0.001 0.000 0.295 102 V C -0.217 176.048 176.094 0.285 0.000 1.035 102 V CA -0.265 62.166 62.300 0.219 0.000 0.896 102 V CB 1.259 33.095 31.823 0.021 0.000 0.986 102 V HN 0.737 nan 8.190 nan 0.000 0.447 103 I N 4.375 125.131 120.570 0.310 0.000 2.569 103 I HA 0.561 4.731 4.170 0.001 0.000 0.290 103 I C -1.539 174.934 176.117 0.594 0.000 1.088 103 I CA -0.456 61.017 61.300 0.288 0.000 1.047 103 I CB 1.651 39.654 38.000 0.004 0.000 1.237 103 I HN 0.511 nan 8.210 nan 0.000 0.421 104 F N 6.465 126.501 119.950 0.144 0.000 2.469 104 F HA 0.420 4.948 4.527 0.001 0.000 0.332 104 F C 0.062 175.691 175.800 -0.286 0.000 1.103 104 F CA -0.949 57.078 58.000 0.045 0.000 0.979 104 F CB 1.664 40.783 39.000 0.198 0.000 1.137 104 F HN 0.408 nan 8.300 nan 0.000 0.463 105 C N 4.903 123.819 119.300 -0.640 0.000 2.347 105 C HA 0.273 4.734 4.460 0.001 0.000 0.353 105 C C 0.088 174.808 174.990 -0.451 0.000 1.273 105 C CA -0.424 57.988 59.018 -1.010 0.000 1.861 105 C CB 0.221 26.757 27.740 -2.007 0.000 2.420 105 C HN 0.842 nan 8.230 nan 0.000 0.542 106 Q N 5.301 124.941 119.800 -0.266 0.000 2.294 106 Q HA 0.413 4.753 4.340 0.001 0.000 0.257 106 Q C -0.994 174.999 176.000 -0.012 0.000 0.955 106 Q CA -0.219 55.529 55.803 -0.091 0.000 0.936 106 Q CB 0.649 29.341 28.738 -0.077 0.000 1.188 106 Q HN 0.815 nan 8.270 nan 0.000 0.420 107 L N 5.061 126.321 121.223 0.063 0.000 2.278 107 L HA 0.328 4.668 4.340 0.001 0.000 0.287 107 L C -0.714 176.356 176.870 0.334 0.000 1.072 107 L CA -0.469 54.459 54.840 0.147 0.000 0.819 107 L CB 0.218 42.385 42.059 0.181 0.000 1.176 107 L HN 0.653 nan 8.230 nan 0.000 0.435 108 W N 5.189 126.511 121.300 0.037 0.000 2.683 108 W HA 0.361 5.021 4.660 0.001 0.000 0.329 108 W C -1.022 175.464 176.519 -0.054 0.000 1.037 108 W CA -0.651 56.703 57.345 0.014 0.000 1.232 108 W CB 0.892 30.331 29.460 -0.035 0.000 1.390 108 W HN 0.362 nan 8.180 nan 0.000 0.465 109 H N 5.814 124.851 119.070 -0.055 0.000 2.727 109 H HA 0.289 4.846 4.556 0.001 0.000 0.330 109 H C 0.676 175.846 175.328 -0.264 0.000 0.986 109 H CA -0.085 55.818 56.048 -0.243 0.000 1.251 109 H CB 1.800 31.522 29.762 -0.067 0.000 1.493 109 H HN 0.431 nan 8.280 nan 0.000 0.515 110 V N 2.724 122.397 119.914 -0.401 0.000 3.217 110 V HA 0.204 4.324 4.120 0.001 0.000 0.264 110 V C 1.488 177.763 176.094 0.302 0.000 1.135 110 V CA 0.878 63.127 62.300 -0.085 0.000 1.142 110 V CB -1.004 30.623 31.823 -0.326 0.000 0.754 110 V HN 0.961 nan 8.190 nan 0.000 0.484 111 G N 2.621 111.686 108.800 0.440 0.000 2.611 111 G HA2 -0.447 3.514 3.960 0.001 0.000 0.301 111 G HA3 -0.447 3.514 3.960 0.001 0.000 0.301 111 G C 1.004 176.003 174.900 0.164 0.000 1.233 111 G CA 1.288 46.561 45.100 0.288 0.000 0.993 111 G HN 0.941 nan 8.290 nan 0.000 0.553 112 R N 0.870 121.421 120.500 0.084 0.000 2.285 112 R HA 0.414 4.754 4.340 0.001 0.000 0.213 112 R C 1.768 178.114 176.300 0.076 0.000 1.068 112 R CA 1.491 57.618 56.100 0.045 0.000 1.004 112 R CB -0.220 30.061 30.300 -0.032 0.000 0.873 112 R HN 1.252 nan 8.270 nan 0.000 0.467 113 A N 1.299 124.184 122.820 0.109 0.000 3.077 113 A HA 0.261 4.582 4.320 0.001 0.000 0.255 113 A C -0.126 177.676 177.584 0.363 0.000 1.728 113 A CA -0.229 51.920 52.037 0.187 0.000 1.383 113 A CB -0.170 18.983 19.000 0.255 0.000 1.097 113 A HN 0.393 nan 8.150 nan 0.000 0.634 114 S N -0.591 115.324 115.700 0.357 0.000 2.903 114 S HA 0.708 5.179 4.470 0.001 0.000 0.314 114 S C -1.276 173.525 174.600 0.334 0.000 1.177 114 S CA -0.496 57.876 58.200 0.286 0.000 0.859 114 S CB 1.304 64.590 63.200 0.144 0.000 1.265 114 S HN 0.744 nan 8.310 nan 0.000 0.584 115 H N 0.284 119.472 119.070 0.195 0.000 3.046 115 H HA 0.309 4.865 4.556 0.001 0.000 0.361 115 H C 0.324 175.637 175.328 -0.025 0.000 1.235 115 H CA -0.297 55.773 56.048 0.036 0.000 1.146 115 H CB 1.759 31.470 29.762 -0.085 0.000 1.859 115 H HN 0.824 nan 8.280 nan 0.000 0.548 116 E N 2.042 122.120 120.200 -0.204 0.000 2.273 116 E HA -0.119 4.232 4.350 0.001 0.000 0.198 116 E C 1.608 178.241 176.600 0.056 0.000 1.002 116 E CA 0.976 57.345 56.400 -0.052 0.000 0.828 116 E CB -0.349 29.268 29.700 -0.138 0.000 0.747 116 E HN 0.224 nan 8.360 nan 0.000 0.491 117 V N 0.054 120.079 119.914 0.185 0.000 2.970 117 V HA -0.162 3.959 4.120 0.001 0.000 0.260 117 V C 0.898 176.799 176.094 -0.322 0.000 1.100 117 V CA 1.090 63.268 62.300 -0.203 0.000 1.122 117 V CB -0.569 30.927 31.823 -0.544 0.000 0.721 117 V HN 0.262 nan 8.190 nan 0.000 0.483 118 Y N -1.156 119.152 120.300 0.014 0.000 2.467 118 Y HA 0.382 4.932 4.550 0.001 0.000 0.250 118 Y C 0.964 176.834 175.900 -0.050 0.000 1.155 118 Y CA -0.558 57.514 58.100 -0.046 0.000 1.249 118 Y CB 0.659 39.080 38.460 -0.065 0.000 1.146 118 Y HN 0.227 nan 8.280 nan 0.000 0.524 119 Q N 0.875 120.721 119.800 0.077 0.000 2.312 119 Q HA 0.344 4.685 4.340 0.001 0.000 0.263 119 Q C -2.652 173.350 176.000 0.004 0.000 0.995 119 Q CA -2.462 53.356 55.803 0.025 0.000 0.853 119 Q CB 1.552 30.297 28.738 0.012 0.000 1.300 119 Q HN 0.004 nan 8.270 nan 0.000 0.448 120 P HA -0.040 nan 4.420 nan 0.000 0.265 120 P C -0.186 177.110 177.300 -0.008 0.000 1.187 120 P CA 0.799 63.895 63.100 -0.006 0.000 0.766 120 P CB 0.455 32.145 31.700 -0.016 0.000 0.820 121 A N 3.653 126.470 122.820 -0.006 0.000 2.790 121 A HA -0.121 4.200 4.320 0.001 0.000 0.277 121 A C 1.532 179.108 177.584 -0.013 0.000 1.435 121 A CA 1.297 53.329 52.037 -0.008 0.000 0.877 121 A CB -2.425 16.571 19.000 -0.007 0.000 1.007 121 A HN 1.066 nan 8.150 nan 0.000 0.613 122 G N -2.571 106.220 108.800 -0.014 0.000 2.269 122 G HA2 0.073 4.034 3.960 0.001 0.000 0.277 122 G HA3 0.073 4.034 3.960 0.001 0.000 0.277 122 G C 1.038 175.922 174.900 -0.027 0.000 1.008 122 G CA 1.399 46.487 45.100 -0.021 0.000 0.774 122 G HN 2.538 nan 8.290 nan 0.000 0.511 123 A N -0.438 122.370 122.820 -0.020 0.000 2.387 123 A HA 0.751 5.072 4.320 0.001 0.000 0.251 123 A C 1.102 178.671 177.584 -0.025 0.000 1.113 123 A CA 0.866 52.890 52.037 -0.021 0.000 0.794 123 A CB 0.230 19.221 19.000 -0.014 0.000 1.069 123 A HN 2.089 nan 8.150 nan 0.000 0.506 124 A N 0.591 123.397 122.820 -0.024 0.000 2.316 124 A HA 0.637 4.957 4.320 0.001 0.000 0.284 124 A C -2.345 175.237 177.584 -0.005 0.000 1.115 124 A CA -1.446 50.577 52.037 -0.024 0.000 0.812 124 A CB -0.440 18.544 19.000 -0.026 0.000 1.064 124 A HN 0.618 nan 8.150 nan 0.000 0.489 125 P HA 0.285 nan 4.420 nan 0.000 0.270 125 P C -0.372 176.947 177.300 0.031 0.000 1.223 125 P CA 0.003 63.124 63.100 0.035 0.000 0.785 125 P CB 0.395 32.130 31.700 0.059 0.000 0.923 126 I N -2.058 118.548 120.570 0.061 0.000 2.676 126 I HA 0.820 4.990 4.170 0.001 0.000 0.309 126 I C 0.009 176.133 176.117 0.012 0.000 0.990 126 I CA -0.500 60.816 61.300 0.026 0.000 1.168 126 I CB 2.077 40.091 38.000 0.023 0.000 1.343 126 I HN 0.248 nan 8.210 nan 0.000 0.482 127 S N 1.123 116.793 115.700 -0.050 0.000 2.703 127 S HA 0.314 4.785 4.470 0.001 0.000 0.273 127 S C 0.532 174.978 174.600 -0.257 0.000 1.178 127 S CA 0.019 58.153 58.200 -0.112 0.000 0.838 127 S CB 1.035 64.165 63.200 -0.117 0.000 1.178 127 S HN 0.932 nan 8.310 nan 0.000 0.494 128 S N 0.161 115.508 115.700 -0.588 0.000 2.461 128 S HA 0.218 4.688 4.470 0.001 0.000 0.228 128 S C 0.860 175.161 174.600 -0.499 0.000 1.005 128 S CA 1.136 58.708 58.200 -1.047 0.000 0.942 128 S CB -0.238 61.876 63.200 -1.811 0.000 0.776 128 S HN 0.842 nan 8.310 nan 0.000 0.514 129 T N 0.052 114.409 114.554 -0.328 0.000 2.804 129 T HA 0.399 4.749 4.350 0.001 0.000 0.290 129 T C -0.567 174.055 174.700 -0.131 0.000 1.099 129 T CA -0.628 61.353 62.100 -0.199 0.000 1.011 129 T CB 1.818 70.579 68.868 -0.179 0.000 1.291 129 T HN 0.141 nan 8.240 nan 0.000 0.523 130 E N 0.089 120.233 120.200 -0.093 0.000 2.474 130 E HA 0.141 4.491 4.350 0.001 0.000 0.195 130 E C -0.166 176.401 176.600 -0.056 0.000 1.039 130 E CA 0.025 56.386 56.400 -0.064 0.000 0.881 130 E CB 0.379 30.051 29.700 -0.048 0.000 0.970 130 E HN 0.319 nan 8.360 nan 0.000 0.486 131 K N 3.254 123.614 120.400 -0.068 0.000 2.383 131 K HA 0.100 4.421 4.320 0.001 0.000 0.286 131 K C -2.287 174.281 176.600 -0.054 0.000 1.051 131 K CA -1.203 55.051 56.287 -0.055 0.000 0.974 131 K CB 0.477 32.939 32.500 -0.063 0.000 0.968 131 K HN -0.013 nan 8.250 nan 0.000 0.475 132 P HA 0.203 nan 4.420 nan 0.000 0.285 132 P C -0.249 177.036 177.300 -0.027 0.000 1.269 132 P CA -0.574 62.516 63.100 -0.017 0.000 0.844 132 P CB 0.876 32.588 31.700 0.020 0.000 1.094 133 I N 1.092 121.622 120.570 -0.066 0.000 2.710 133 I HA -0.044 4.127 4.170 0.001 0.000 0.286 133 I C 1.614 177.768 176.117 0.062 0.000 1.181 133 I CA 0.313 61.547 61.300 -0.111 0.000 1.430 133 I CB 0.177 37.923 38.000 -0.423 0.000 1.367 133 I HN 0.423 nan 8.210 nan 0.000 0.577 134 S N 3.751 119.522 115.700 0.118 0.000 2.580 134 S HA 0.044 4.514 4.470 0.001 0.000 0.266 134 S C 0.723 175.447 174.600 0.206 0.000 1.354 134 S CA -0.524 57.764 58.200 0.147 0.000 1.008 134 S CB 0.422 63.701 63.200 0.131 0.000 0.898 134 S HN 0.646 nan 8.310 nan 0.000 0.555 135 N N 1.026 119.806 118.700 0.134 0.000 2.585 135 N HA -0.011 4.730 4.740 0.001 0.000 0.188 135 N C 2.074 177.629 175.510 0.074 0.000 1.102 135 N CA 1.001 54.123 53.050 0.120 0.000 0.920 135 N CB -0.548 37.978 38.487 0.064 0.000 0.963 135 N HN 0.751 nan 8.380 nan 0.000 0.447 136 R N 0.220 120.738 120.500 0.030 0.000 2.120 136 R HA -0.041 4.299 4.340 0.001 0.000 0.234 136 R C 0.195 176.301 176.300 -0.323 0.000 1.123 136 R CA 1.116 57.101 56.100 -0.191 0.000 0.975 136 R CB -1.318 28.807 30.300 -0.291 0.000 0.866 136 R HN 0.320 nan 8.270 nan 0.000 0.446 137 W N -0.385 120.955 121.300 0.067 0.000 2.570 137 W HA 0.668 5.329 4.660 0.001 0.000 0.337 137 W C 0.137 176.822 176.519 0.276 0.000 1.067 137 W CA -0.888 56.537 57.345 0.134 0.000 1.229 137 W CB 1.267 30.764 29.460 0.062 0.000 1.355 137 W HN -0.019 nan 8.180 nan 0.000 0.555 138 R N 2.714 123.481 120.500 0.445 0.000 2.686 138 R HA 0.547 4.888 4.340 0.001 0.000 0.286 138 R C -1.198 175.179 176.300 0.129 0.000 0.969 138 R CA -1.240 54.975 56.100 0.192 0.000 0.898 138 R CB 2.490 32.834 30.300 0.072 0.000 1.183 138 R HN 0.697 nan 8.270 nan 0.000 0.456 139 I N 3.038 123.429 120.570 -0.298 0.000 2.353 139 I HA 0.156 4.327 4.170 0.001 0.000 0.293 139 I C -0.287 175.754 176.117 -0.127 0.000 0.992 139 I CA -1.192 59.910 61.300 -0.332 0.000 1.268 139 I CB 1.090 38.611 38.000 -0.799 0.000 1.387 139 I HN 0.432 nan 8.210 nan 0.000 0.478 140 L N 9.076 130.200 121.223 -0.164 0.000 2.562 140 L HA 0.159 4.500 4.340 0.001 0.000 0.271 140 L C -0.258 176.456 176.870 -0.259 0.000 1.167 140 L CA 0.764 55.409 54.840 -0.325 0.000 0.917 140 L CB 0.199 42.063 42.059 -0.325 0.000 1.187 140 L HN 0.547 nan 8.230 nan 0.000 0.482 141 M N 6.732 126.149 119.600 -0.304 0.000 2.283 141 M HA 0.320 4.801 4.480 0.001 0.000 0.314 141 M C -1.264 174.944 176.300 -0.154 0.000 1.153 141 M CA -2.242 52.897 55.300 -0.268 0.000 1.084 141 M CB 0.332 32.727 32.600 -0.341 0.000 1.468 141 M HN 0.335 nan 8.290 nan 0.000 0.474 142 P HA -0.168 nan 4.420 nan 0.000 0.218 142 P C 0.435 177.714 177.300 -0.035 0.000 1.148 142 P CA 1.352 64.419 63.100 -0.054 0.000 0.822 142 P CB 0.011 31.644 31.700 -0.112 0.000 0.784 143 D N -2.369 117.980 120.400 -0.086 0.000 2.349 143 D HA 0.084 4.724 4.640 0.001 0.000 0.224 143 D C 1.466 177.732 176.300 -0.057 0.000 1.029 143 D CA 0.782 54.747 54.000 -0.059 0.000 0.879 143 D CB -0.763 39.993 40.800 -0.073 0.000 0.906 143 D HN 0.241 nan 8.370 nan 0.000 0.528 144 G N -0.238 108.508 108.800 -0.090 0.000 2.213 144 G HA2 -0.258 3.703 3.960 0.001 0.000 0.226 144 G HA3 -0.258 3.703 3.960 0.001 0.000 0.226 144 G C 0.604 175.390 174.900 -0.191 0.000 0.992 144 G CA 0.375 45.417 45.100 -0.097 0.000 0.632 144 G HN 0.771 nan 8.290 nan 0.000 0.511 145 T N -1.440 112.997 114.554 -0.195 0.000 2.770 145 T HA 0.623 4.973 4.350 0.001 0.000 0.281 145 T C -0.026 174.439 174.700 -0.392 0.000 0.981 145 T CA -0.270 61.719 62.100 -0.187 0.000 0.955 145 T CB 1.412 70.222 68.868 -0.097 0.000 1.060 145 T HN 0.302 nan 8.240 nan 0.000 0.531 146 H N -0.835 118.201 119.070 -0.057 0.000 2.495 146 H HA 0.586 5.142 4.556 0.001 0.000 0.348 146 H C 0.506 175.775 175.328 -0.098 0.000 1.113 146 H CA -0.557 55.445 56.048 -0.077 0.000 1.195 146 H CB 1.649 31.392 29.762 -0.033 0.000 1.521 146 H HN 0.983 nan 8.280 nan 0.000 0.509 147 G N 1.721 110.484 108.800 -0.062 0.000 3.075 147 G HA2 0.452 4.413 3.960 0.001 0.000 0.253 147 G HA3 0.452 4.413 3.960 0.001 0.000 0.253 147 G C -0.573 174.296 174.900 -0.052 0.000 1.353 147 G CA -0.571 44.489 45.100 -0.067 0.000 1.051 147 G HN 0.407 nan 8.290 nan 0.000 0.553 148 I N 0.167 120.749 120.570 0.021 0.000 2.392 148 I HA 0.262 4.432 4.170 0.001 0.000 0.295 148 I C -0.830 175.284 176.117 -0.006 0.000 0.985 148 I CA -1.100 60.208 61.300 0.013 0.000 1.221 148 I CB 1.199 39.226 38.000 0.046 0.000 1.366 148 I HN 0.365 nan 8.210 nan 0.000 0.467 149 Y N 6.859 127.220 120.300 0.101 0.000 2.436 149 Y HA 0.169 4.719 4.550 0.001 0.000 0.336 149 Y C -1.503 174.397 175.900 0.001 0.000 1.049 149 Y CA -1.225 56.914 58.100 0.064 0.000 1.294 149 Y CB 0.166 38.666 38.460 0.066 0.000 1.179 149 Y HN 0.413 nan 8.280 nan 0.000 0.520 150 P HA 0.071 nan 4.420 nan 0.000 0.277 150 P C -1.028 176.285 177.300 0.022 0.000 1.271 150 P CA -0.818 62.276 63.100 -0.010 0.000 0.795 150 P CB 1.053 32.682 31.700 -0.119 0.000 1.101 151 K N 1.563 121.960 120.400 -0.005 0.000 2.379 151 K HA 0.219 4.540 4.320 0.001 0.000 0.284 151 K C -1.949 174.642 176.600 -0.014 0.000 1.044 151 K CA -1.463 54.819 56.287 -0.007 0.000 0.974 151 K CB 0.019 32.510 32.500 -0.015 0.000 0.962 151 K HN 0.309 nan 8.250 nan 0.000 0.474 152 P HA 0.180 nan 4.420 nan 0.000 0.278 152 P C -1.395 175.886 177.300 -0.031 0.000 1.266 152 P CA -0.584 62.505 63.100 -0.019 0.000 0.807 152 P CB 0.893 32.577 31.700 -0.026 0.000 1.094 153 R N 0.508 120.991 120.500 -0.029 0.000 2.338 153 R HA 0.590 4.930 4.340 0.001 0.000 0.317 153 R C -0.532 175.739 176.300 -0.048 0.000 0.968 153 R CA -0.660 55.421 56.100 -0.032 0.000 0.849 153 R CB 0.674 30.962 30.300 -0.019 0.000 1.128 153 R HN 0.538 nan 8.270 nan 0.000 0.448 154 A N 6.719 129.504 122.820 -0.059 0.000 2.404 154 A HA 0.259 4.579 4.320 0.001 0.000 0.273 154 A C 0.555 178.106 177.584 -0.055 0.000 1.144 154 A CA -0.648 51.339 52.037 -0.082 0.000 0.806 154 A CB -0.200 18.748 19.000 -0.087 0.000 1.080 154 A HN 0.834 nan 8.150 nan 0.000 0.509 155 I N 1.134 121.670 120.570 -0.057 0.000 2.662 155 I HA 0.695 4.866 4.170 0.001 0.000 0.291 155 I C 0.732 176.834 176.117 -0.025 0.000 1.046 155 I CA -0.571 60.708 61.300 -0.035 0.000 1.361 155 I CB 0.925 38.893 38.000 -0.053 0.000 1.429 155 I HN 0.513 nan 8.210 nan 0.000 0.558 156 G N 2.095 110.897 108.800 0.003 0.000 2.563 156 G HA2 0.332 4.292 3.960 0.001 0.000 0.283 156 G HA3 0.332 4.292 3.960 0.001 0.000 0.283 156 G C 0.903 175.810 174.900 0.012 0.000 1.309 156 G CA 0.088 45.207 45.100 0.033 0.000 1.022 156 G HN 0.861 nan 8.290 nan 0.000 0.501 157 T N -3.013 111.585 114.554 0.074 0.000 2.951 157 T HA -0.170 4.180 4.350 0.001 0.000 0.268 157 T C 1.927 176.685 174.700 0.095 0.000 1.073 157 T CA 1.516 63.665 62.100 0.083 0.000 1.134 157 T CB -0.359 68.652 68.868 0.237 0.000 0.884 157 T HN 0.431 nan 8.240 nan 0.000 0.479 158 Y N 2.190 122.504 120.300 0.023 0.000 2.163 158 Y HA 0.024 4.575 4.550 0.001 0.000 0.288 158 Y C 2.459 178.362 175.900 0.005 0.000 1.136 158 Y CA 1.636 59.749 58.100 0.021 0.000 1.147 158 Y CB -0.525 37.946 38.460 0.018 0.000 0.987 158 Y HN 0.331 nan 8.280 nan 0.000 0.509 159 E N 0.095 120.217 120.200 -0.129 0.000 2.153 159 E HA -0.190 4.160 4.350 0.001 0.000 0.194 159 E C 2.183 178.659 176.600 -0.207 0.000 0.988 159 E CA 1.515 57.782 56.400 -0.221 0.000 0.811 159 E CB -0.355 29.301 29.700 -0.073 0.000 0.746 159 E HN 0.629 nan 8.360 nan 0.000 0.466 160 I N 0.364 120.826 120.570 -0.179 0.000 2.208 160 I HA -0.289 3.882 4.170 0.001 0.000 0.245 160 I C 2.389 178.463 176.117 -0.071 0.000 1.097 160 I CA 1.011 62.195 61.300 -0.192 0.000 1.363 160 I CB -0.206 37.552 38.000 -0.404 0.000 1.051 160 I HN 0.103 nan 8.210 nan 0.000 0.413 161 S N -0.041 115.597 115.700 -0.103 0.000 2.382 161 S HA -0.222 4.248 4.470 0.001 0.000 0.228 161 S C 1.920 176.444 174.600 -0.126 0.000 1.027 161 S CA 1.207 59.361 58.200 -0.077 0.000 0.991 161 S CB -0.200 62.962 63.200 -0.063 0.000 0.823 161 S HN 0.462 nan 8.310 nan 0.000 0.469 162 Q N 0.253 119.902 119.800 -0.252 0.000 2.084 162 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 162 Q C 2.275 178.222 176.000 -0.088 0.000 0.978 162 Q CA 1.389 57.061 55.803 -0.218 0.000 0.844 162 Q CB -0.298 28.251 28.738 -0.315 0.000 0.898 162 Q HN 0.371 nan 8.270 nan 0.000 0.426 163 V N 0.216 120.105 119.914 -0.042 0.000 2.343 163 V HA -0.229 3.892 4.120 0.001 0.000 0.247 163 V C 2.255 178.444 176.094 0.157 0.000 1.051 163 V CA 1.362 63.694 62.300 0.054 0.000 1.036 163 V CB -0.474 31.421 31.823 0.120 0.000 0.654 163 V HN 0.191 nan 8.190 nan 0.000 0.451 164 V N 0.201 120.183 119.914 0.113 0.000 2.287 164 V HA -0.304 3.816 4.120 0.001 0.000 0.248 164 V C 2.568 178.708 176.094 0.076 0.000 1.053 164 V CA 2.393 64.728 62.300 0.059 0.000 1.027 164 V CB -0.669 31.131 31.823 -0.039 0.000 0.646 164 V HN 0.633 nan 8.190 nan 0.000 0.447 165 E N 0.438 120.653 120.200 0.024 0.000 2.153 165 E HA -0.221 4.129 4.350 0.001 0.000 0.194 165 E C 1.785 178.397 176.600 0.021 0.000 0.988 165 E CA 1.480 57.887 56.400 0.012 0.000 0.811 165 E CB -0.335 29.356 29.700 -0.015 0.000 0.746 165 E HN 0.606 nan 8.360 nan 0.000 0.466 166 D N -0.726 119.677 120.400 0.006 0.000 2.144 166 D HA -0.170 4.471 4.640 0.001 0.000 0.199 166 D C 1.652 177.924 176.300 -0.047 0.000 0.984 166 D CA 1.048 55.019 54.000 -0.048 0.000 0.834 166 D CB -0.349 40.379 40.800 -0.121 0.000 0.955 166 D HN 0.354 nan 8.370 nan 0.000 0.465 167 Y N 1.007 121.289 120.300 -0.031 0.000 2.145 167 Y HA -0.128 4.423 4.550 0.001 0.000 0.286 167 Y C 2.724 178.596 175.900 -0.047 0.000 1.145 167 Y CA 1.194 59.269 58.100 -0.042 0.000 1.148 167 Y CB -0.117 38.289 38.460 -0.090 0.000 0.981 167 Y HN -0.154 nan 8.280 nan 0.000 0.507 168 R N 0.441 121.010 120.500 0.115 0.000 2.080 168 R HA -0.240 4.100 4.340 0.001 0.000 0.236 168 R C 2.457 178.775 176.300 0.030 0.000 1.137 168 R CA 1.970 58.096 56.100 0.043 0.000 0.943 168 R CB -0.290 30.021 30.300 0.019 0.000 0.846 168 R HN 0.229 nan 8.270 nan 0.000 0.431 169 R N -0.178 120.341 120.500 0.031 0.000 2.105 169 R HA -0.093 4.247 4.340 0.001 0.000 0.239 169 R C 2.077 178.399 176.300 0.037 0.000 1.135 169 R CA 2.065 58.185 56.100 0.033 0.000 0.967 169 R CB -0.097 30.226 30.300 0.038 0.000 0.861 169 R HN 0.183 nan 8.270 nan 0.000 0.442 170 S N 0.137 115.857 115.700 0.033 0.000 2.387 170 S HA -0.054 4.417 4.470 0.001 0.000 0.226 170 S C 1.912 176.505 174.600 -0.012 0.000 1.026 170 S CA 0.891 59.106 58.200 0.026 0.000 0.972 170 S CB -0.042 63.162 63.200 0.007 0.000 0.814 170 S HN 0.553 nan 8.310 nan 0.000 0.477 171 A N 1.791 124.605 122.820 -0.009 0.000 1.877 171 A HA -0.015 4.305 4.320 0.001 0.000 0.216 171 A C 2.108 179.670 177.584 -0.038 0.000 1.186 171 A CA 1.170 53.180 52.037 -0.046 0.000 0.620 171 A CB -0.808 18.172 19.000 -0.033 0.000 0.822 171 A HN 0.437 nan 8.150 nan 0.000 0.443 172 L N -0.254 120.963 121.223 -0.010 0.000 2.042 172 L HA -0.233 4.108 4.340 0.001 0.000 0.210 172 L C 2.358 179.238 176.870 0.017 0.000 1.076 172 L CA 1.367 56.208 54.840 0.003 0.000 0.749 172 L CB -0.704 41.362 42.059 0.012 0.000 0.893 172 L HN 0.368 nan 8.230 nan 0.000 0.432 173 N N 0.271 118.987 118.700 0.026 0.000 2.120 173 N HA -0.163 4.578 4.740 0.001 0.000 0.188 173 N C 1.879 177.424 175.510 0.058 0.000 1.024 173 N CA 1.557 54.637 53.050 0.050 0.000 0.852 173 N CB -0.402 38.124 38.487 0.065 0.000 1.003 173 N HN 0.329 nan 8.380 nan 0.000 0.424 174 A N 1.612 124.434 122.820 0.005 0.000 1.883 174 A HA -0.126 4.195 4.320 0.001 0.000 0.217 174 A C 2.125 179.789 177.584 0.133 0.000 1.186 174 A CA 1.069 53.117 52.037 0.019 0.000 0.624 174 A CB -0.555 18.302 19.000 -0.239 0.000 0.822 174 A HN 0.135 nan 8.150 nan 0.000 0.444 175 I N 0.031 120.629 120.570 0.046 0.000 2.208 175 I HA -0.229 3.941 4.170 0.001 0.000 0.245 175 I C 2.420 178.576 176.117 0.064 0.000 1.097 175 I CA 1.908 63.239 61.300 0.052 0.000 1.363 175 I CB -1.413 36.596 38.000 0.015 0.000 1.051 175 I HN 0.603 nan 8.210 nan 0.000 0.413 176 E N 1.066 121.302 120.200 0.060 0.000 2.153 176 E HA -0.173 4.177 4.350 0.001 0.000 0.194 176 E C 2.067 178.708 176.600 0.068 0.000 0.988 176 E CA 1.181 57.616 56.400 0.058 0.000 0.811 176 E CB 0.089 29.822 29.700 0.055 0.000 0.746 176 E HN 0.440 nan 8.360 nan 0.000 0.466 177 A N -0.236 122.642 122.820 0.098 0.000 2.206 177 A HA 0.208 4.529 4.320 0.001 0.000 0.211 177 A C 1.746 179.317 177.584 -0.022 0.000 1.158 177 A CA 1.033 53.121 52.037 0.085 0.000 0.761 177 A CB -0.281 18.833 19.000 0.190 0.000 0.801 177 A HN 0.493 nan 8.150 nan 0.000 0.473 178 G N -2.127 106.681 108.800 0.013 0.000 2.195 178 G HA2 -0.234 3.726 3.960 0.001 0.000 0.224 178 G HA3 -0.234 3.726 3.960 0.001 0.000 0.224 178 G C 0.122 175.030 174.900 0.012 0.000 0.990 178 G CA -0.101 45.004 45.100 0.009 0.000 0.639 178 G HN 0.325 nan 8.290 nan 0.000 0.514 179 F N 1.866 121.796 119.950 -0.034 0.000 2.629 179 F HA 0.195 4.723 4.527 0.001 0.000 0.369 179 F C 1.701 177.478 175.800 -0.039 0.000 1.125 179 F CA 0.781 58.725 58.000 -0.093 0.000 1.330 179 F CB 0.564 39.420 39.000 -0.238 0.000 1.071 179 F HN 0.013 nan 8.300 nan 0.000 0.595 180 D N 1.439 121.963 120.400 0.206 0.000 2.224 180 D HA 0.101 4.742 4.640 0.001 0.000 0.205 180 D C 0.983 177.147 176.300 -0.227 0.000 0.965 180 D CA 1.122 55.203 54.000 0.135 0.000 0.852 180 D CB 0.251 41.127 40.800 0.127 0.000 0.947 180 D HN 0.657 nan 8.370 nan 0.000 0.494 181 G N 0.008 108.327 108.800 -0.801 0.000 2.489 181 G HA2 0.459 4.420 3.960 0.001 0.000 0.305 181 G HA3 0.459 4.420 3.960 0.001 0.000 0.305 181 G C -1.795 172.382 174.900 -1.205 0.000 1.311 181 G CA -0.562 43.696 45.100 -1.404 0.000 0.813 181 G HN 0.096 nan 8.290 nan 0.000 0.480 182 I N -2.805 117.249 120.570 -0.861 0.000 2.969 182 I HA 0.883 5.053 4.170 0.001 0.000 0.307 182 I C -0.862 175.225 176.117 -0.050 0.000 1.149 182 I CA -1.189 59.887 61.300 -0.373 0.000 1.008 182 I CB 2.610 40.444 38.000 -0.277 0.000 1.232 182 I HN 0.631 nan 8.210 nan 0.000 0.435 183 E N 3.858 124.087 120.200 0.049 0.000 2.199 183 E HA 0.480 4.831 4.350 0.001 0.000 0.265 183 E C -1.343 175.284 176.600 0.046 0.000 0.882 183 E CA -0.834 55.629 56.400 0.105 0.000 0.759 183 E CB 1.424 31.260 29.700 0.227 0.000 1.148 183 E HN 0.601 nan 8.360 nan 0.000 0.412 184 I N 4.425 125.003 120.570 0.014 0.000 2.396 184 I HA 0.038 4.209 4.170 0.001 0.000 0.289 184 I C 0.208 176.383 176.117 0.096 0.000 1.056 184 I CA -0.229 61.096 61.300 0.042 0.000 1.365 184 I CB 0.394 38.338 38.000 -0.093 0.000 1.407 184 I HN 0.605 nan 8.210 nan 0.000 0.509 185 H N 6.308 125.424 119.070 0.077 0.000 3.067 185 H HA 0.342 4.899 4.556 0.001 0.000 0.265 185 H C 0.677 176.058 175.328 0.089 0.000 1.234 185 H CA -0.427 55.640 56.048 0.032 0.000 1.452 185 H CB 0.513 30.295 29.762 0.033 0.000 1.527 185 H HN 0.702 nan 8.280 nan 0.000 0.486 186 G N 3.154 112.122 108.800 0.279 0.000 4.222 186 G HA2 0.532 4.493 3.960 0.001 0.000 0.301 186 G HA3 0.532 4.493 3.960 0.001 0.000 0.301 186 G C -0.017 174.973 174.900 0.150 0.000 1.171 186 G CA 0.378 45.586 45.100 0.181 0.000 0.937 186 G HN 0.751 nan 8.290 nan 0.000 0.557 187 A N -0.811 122.142 122.820 0.220 0.000 2.507 187 A HA 0.738 5.058 4.320 0.001 0.000 0.284 187 A C 0.425 178.084 177.584 0.125 0.000 1.281 187 A CA -0.562 51.478 52.037 0.006 0.000 0.744 187 A CB 0.202 18.983 19.000 -0.365 0.000 1.332 187 A HN 0.699 nan 8.150 nan 0.000 0.454 188 H N -1.126 118.029 119.070 0.142 0.000 2.820 188 H HA -0.178 4.378 4.556 0.001 0.000 0.295 188 H C 1.181 176.374 175.328 -0.226 0.000 1.187 188 H CA 1.125 57.185 56.048 0.019 0.000 1.144 188 H CB -1.565 28.277 29.762 0.134 0.000 1.354 188 H HN 2.326 nan 8.280 nan 0.000 0.395 189 G N -1.555 107.204 108.800 -0.068 0.000 2.179 189 G HA2 -0.377 3.584 3.960 0.001 0.000 0.257 189 G HA3 -0.377 3.584 3.960 0.001 0.000 0.257 189 G C 0.020 174.747 174.900 -0.288 0.000 1.010 189 G CA 0.733 45.708 45.100 -0.210 0.000 0.736 189 G HN 0.544 nan 8.290 nan 0.000 0.513 190 Y N -1.501 118.871 120.300 0.119 0.000 2.421 190 Y HA 0.569 5.120 4.550 0.001 0.000 0.366 190 Y C 1.837 177.820 175.900 0.137 0.000 1.360 190 Y CA -0.543 57.637 58.100 0.133 0.000 1.663 190 Y CB -0.406 38.162 38.460 0.180 0.000 1.677 190 Y HN 0.045 nan 8.280 nan 0.000 0.584 191 L N 0.703 122.155 121.223 0.382 0.000 1.976 191 L HA -0.297 4.043 4.340 0.001 0.000 0.223 191 L C 1.937 179.030 176.870 0.373 0.000 1.081 191 L CA 1.951 56.970 54.840 0.298 0.000 0.784 191 L CB -1.081 41.111 42.059 0.223 0.000 0.896 191 L HN 0.714 nan 8.230 nan 0.000 0.438 192 I N -0.763 120.058 120.570 0.418 0.000 2.208 192 I HA -0.296 3.875 4.170 0.001 0.000 0.245 192 I C 2.137 178.458 176.117 0.340 0.000 1.097 192 I CA 1.714 63.277 61.300 0.438 0.000 1.363 192 I CB -0.462 37.691 38.000 0.256 0.000 1.051 192 I HN 0.384 nan 8.210 nan 0.000 0.413 193 D N 0.430 120.972 120.400 0.237 0.000 2.219 193 D HA -0.182 4.458 4.640 0.001 0.000 0.205 193 D C 2.159 178.527 176.300 0.114 0.000 0.970 193 D CA 1.060 55.150 54.000 0.150 0.000 0.851 193 D CB 0.051 40.908 40.800 0.095 0.000 0.943 193 D HN 0.322 nan 8.370 nan 0.000 0.488 194 Q N -1.448 118.423 119.800 0.117 0.000 2.364 194 Q HA -0.061 4.279 4.340 0.001 0.000 0.207 194 Q C 1.157 177.100 176.000 -0.096 0.000 0.970 194 Q CA 0.673 56.467 55.803 -0.014 0.000 0.888 194 Q CB 0.055 28.761 28.738 -0.053 0.000 0.951 194 Q HN 0.362 nan 8.270 nan 0.000 0.469 195 F N -0.989 118.955 119.950 -0.010 0.000 2.505 195 F HA 0.067 4.595 4.527 0.001 0.000 0.289 195 F C 1.609 177.440 175.800 0.052 0.000 1.101 195 F CA 0.337 58.335 58.000 -0.003 0.000 1.446 195 F CB 0.235 39.238 39.000 0.006 0.000 1.123 195 F HN -0.027 nan 8.300 nan 0.000 0.564 196 L N -0.380 120.985 121.223 0.237 0.000 2.044 196 L HA -0.080 4.260 4.340 0.001 0.000 0.205 196 L C 0.815 177.737 176.870 0.087 0.000 1.075 196 L CA 0.876 55.809 54.840 0.156 0.000 0.747 196 L CB -0.404 41.736 42.059 0.135 0.000 0.903 196 L HN -0.208 nan 8.230 nan 0.000 0.435 197 K N 1.754 122.187 120.400 0.055 0.000 2.383 197 K HA -0.018 4.302 4.320 0.001 0.000 0.286 197 K C 0.448 177.051 176.600 0.005 0.000 1.051 197 K CA 0.050 56.352 56.287 0.025 0.000 0.974 197 K CB 0.899 33.403 32.500 0.006 0.000 0.968 197 K HN 0.177 nan 8.250 nan 0.000 0.475 198 D N 1.960 122.367 120.400 0.012 0.000 2.310 198 D HA -0.105 4.536 4.640 0.001 0.000 0.212 198 D C 1.376 177.670 176.300 -0.011 0.000 0.965 198 D CA 0.925 54.926 54.000 0.002 0.000 0.879 198 D CB -0.203 40.604 40.800 0.012 0.000 0.921 198 D HN 0.616 nan 8.370 nan 0.000 0.510 199 G N -0.088 108.706 108.800 -0.010 0.000 2.534 199 G HA2 -0.011 3.949 3.960 0.001 0.000 0.217 199 G HA3 -0.011 3.949 3.960 0.001 0.000 0.217 199 G C 1.572 176.451 174.900 -0.036 0.000 1.128 199 G CA 0.501 45.592 45.100 -0.015 0.000 0.784 199 G HN 0.387 nan 8.290 nan 0.000 0.542 200 I N -0.854 119.684 120.570 -0.053 0.000 3.366 200 I HA 0.119 4.290 4.170 0.001 0.000 0.267 200 I C 0.549 176.596 176.117 -0.116 0.000 1.149 200 I CA -0.310 60.937 61.300 -0.088 0.000 1.436 200 I CB 0.087 38.022 38.000 -0.108 0.000 1.379 200 I HN -0.096 nan 8.210 nan 0.000 0.460 201 N N 3.151 121.780 118.700 -0.118 0.000 2.406 201 N HA -0.066 4.675 4.740 0.001 0.000 0.274 201 N C -0.520 174.934 175.510 -0.093 0.000 1.249 201 N CA 0.439 53.399 53.050 -0.150 0.000 0.951 201 N CB 0.243 38.665 38.487 -0.108 0.000 1.241 201 N HN 0.287 nan 8.380 nan 0.000 0.485 202 D N 1.948 122.285 120.400 -0.104 0.000 2.559 202 D HA 0.081 4.721 4.640 0.001 0.000 0.234 202 D C 0.098 176.364 176.300 -0.055 0.000 1.226 202 D CA -0.295 53.666 54.000 -0.064 0.000 0.830 202 D CB -0.040 40.724 40.800 -0.059 0.000 1.028 202 D HN 0.301 nan 8.370 nan 0.000 0.492 203 R N -0.302 120.162 120.500 -0.061 0.000 2.641 203 R HA 0.373 4.713 4.340 0.001 0.000 0.269 203 R C 1.025 177.330 176.300 0.008 0.000 1.074 203 R CA 0.417 56.501 56.100 -0.027 0.000 1.133 203 R CB 0.455 30.751 30.300 -0.006 0.000 1.029 203 R HN 0.174 nan 8.270 nan 0.000 0.488 204 T N -3.504 111.062 114.554 0.020 0.000 3.084 204 T HA 0.043 4.394 4.350 0.001 0.000 0.270 204 T C 0.154 174.878 174.700 0.041 0.000 1.008 204 T CA -0.492 61.622 62.100 0.024 0.000 0.900 204 T CB -0.125 68.752 68.868 0.014 0.000 1.084 204 T HN 0.642 nan 8.240 nan 0.000 0.538 205 D N 1.507 121.949 120.400 0.069 0.000 2.530 205 D HA 0.098 4.738 4.640 0.001 0.000 0.282 205 D C 1.368 177.718 176.300 0.084 0.000 1.204 205 D CA -0.628 53.425 54.000 0.088 0.000 1.093 205 D CB 0.383 41.263 40.800 0.134 0.000 1.154 205 D HN 0.149 nan 8.370 nan 0.000 0.593 206 E N -0.811 119.428 120.200 0.064 0.000 2.515 206 E HA -0.178 4.172 4.350 0.001 0.000 0.201 206 E C 0.547 177.063 176.600 -0.140 0.000 1.071 206 E CA 0.703 57.071 56.400 -0.054 0.000 0.880 206 E CB -0.581 29.040 29.700 -0.132 0.000 0.828 206 E HN 0.554 nan 8.360 nan 0.000 0.540 207 Y N 0.484 120.839 120.300 0.092 0.000 2.467 207 Y HA 0.412 4.962 4.550 0.001 0.000 0.250 207 Y C 1.197 177.176 175.900 0.132 0.000 1.155 207 Y CA 0.155 58.344 58.100 0.148 0.000 1.249 207 Y CB 1.274 39.876 38.460 0.238 0.000 1.146 207 Y HN 0.099 nan 8.280 nan 0.000 0.524 208 G N -1.904 107.000 108.800 0.174 0.000 2.733 208 G HA2 0.529 4.490 3.960 0.001 0.000 0.288 208 G HA3 0.529 4.490 3.960 0.001 0.000 0.288 208 G C 0.240 175.173 174.900 0.056 0.000 1.373 208 G CA -0.204 44.956 45.100 0.100 0.000 0.895 208 G HN 0.327 nan 8.290 nan 0.000 0.479 209 G N -0.066 108.756 108.800 0.037 0.000 3.298 209 G HA2 -0.013 3.948 3.960 0.001 0.000 0.260 209 G HA3 -0.013 3.948 3.960 0.001 0.000 0.260 209 G C 1.133 176.049 174.900 0.027 0.000 1.681 209 G CA 0.824 45.938 45.100 0.025 0.000 1.094 209 G HN 2.301 nan 8.290 nan 0.000 0.575 210 S N 1.063 116.778 115.700 0.024 0.000 2.587 210 S HA 0.525 4.996 4.470 0.001 0.000 0.260 210 S C 1.668 176.288 174.600 0.033 0.000 1.353 210 S CA 0.363 58.576 58.200 0.023 0.000 0.995 210 S CB 1.120 64.329 63.200 0.015 0.000 0.912 210 S HN 0.986 nan 8.310 nan 0.000 0.568 211 L N 0.945 122.187 121.223 0.031 0.000 2.046 211 L HA -0.091 4.250 4.340 0.001 0.000 0.208 211 L C 2.990 179.885 176.870 0.042 0.000 1.077 211 L CA 1.618 56.482 54.840 0.039 0.000 0.747 211 L CB -1.085 40.994 42.059 0.033 0.000 0.896 211 L HN 0.982 nan 8.230 nan 0.000 0.432 212 A N 0.197 123.034 122.820 0.027 0.000 1.883 212 A HA -0.250 4.070 4.320 0.001 0.000 0.217 212 A C 1.959 179.554 177.584 0.018 0.000 1.186 212 A CA 2.126 54.174 52.037 0.018 0.000 0.624 212 A CB -0.624 18.377 19.000 0.002 0.000 0.822 212 A HN 0.463 nan 8.150 nan 0.000 0.444 213 N N -0.216 118.495 118.700 0.018 0.000 2.120 213 N HA -0.118 4.622 4.740 0.001 0.000 0.188 213 N C 1.768 177.345 175.510 0.112 0.000 1.024 213 N CA 1.374 54.435 53.050 0.018 0.000 0.852 213 N CB -0.472 38.029 38.487 0.023 0.000 1.003 213 N HN 0.514 nan 8.380 nan 0.000 0.424 214 R N -0.250 120.325 120.500 0.125 0.000 2.152 214 R HA 0.048 4.388 4.340 0.001 0.000 0.232 214 R C 1.540 177.964 176.300 0.207 0.000 1.117 214 R CA 0.780 56.991 56.100 0.185 0.000 0.981 214 R CB -0.267 30.107 30.300 0.123 0.000 0.870 214 R HN 0.258 nan 8.270 nan 0.000 0.451 215 C N 0.057 119.438 119.300 0.135 0.000 2.618 215 C HA 0.098 4.558 4.460 0.001 0.000 0.264 215 C C 2.278 177.333 174.990 0.108 0.000 1.334 215 C CA -0.329 58.755 59.018 0.111 0.000 1.731 215 C CB -0.478 27.300 27.740 0.064 0.000 1.852 215 C HN 0.440 nan 8.230 nan 0.000 0.566 216 K N 0.791 121.267 120.400 0.127 0.000 2.063 216 K HA -0.206 4.115 4.320 0.001 0.000 0.208 216 K C 1.823 178.554 176.600 0.217 0.000 1.048 216 K CA 1.654 57.998 56.287 0.095 0.000 0.928 216 K CB -0.317 32.130 32.500 -0.088 0.000 0.713 216 K HN 0.410 nan 8.250 nan 0.000 0.442 217 F N 1.506 121.532 119.950 0.127 0.000 2.102 217 F HA -0.155 4.373 4.527 0.001 0.000 0.298 217 F C 1.993 177.704 175.800 -0.148 0.000 1.105 217 F CA 1.304 59.246 58.000 -0.096 0.000 1.239 217 F CB -0.357 38.324 39.000 -0.533 0.000 0.991 217 F HN 0.027 nan 8.300 nan 0.000 0.474 218 I N -0.705 119.792 120.570 -0.122 0.000 2.286 218 I HA -0.305 3.866 4.170 0.001 0.000 0.248 218 I C 2.021 177.994 176.117 -0.241 0.000 1.115 218 I CA 1.731 62.876 61.300 -0.258 0.000 1.392 218 I CB -0.421 37.527 38.000 -0.086 0.000 1.065 218 I HN 0.171 nan 8.210 nan 0.000 0.418 219 T N 0.605 115.084 114.554 -0.125 0.000 2.674 219 T HA -0.230 4.120 4.350 0.001 0.000 0.265 219 T C 1.755 176.375 174.700 -0.134 0.000 1.039 219 T CA 1.591 63.634 62.100 -0.095 0.000 1.150 219 T CB -0.270 68.579 68.868 -0.033 0.000 0.864 219 T HN 0.482 nan 8.240 nan 0.000 0.427 220 Q N 0.267 119.985 119.800 -0.137 0.000 2.170 220 Q HA -0.054 4.287 4.340 0.001 0.000 0.203 220 Q C 2.518 178.365 176.000 -0.255 0.000 0.976 220 Q CA 0.947 56.666 55.803 -0.139 0.000 0.858 220 Q CB -0.362 28.345 28.738 -0.052 0.000 0.907 220 Q HN 0.344 nan 8.270 nan 0.000 0.433 221 V N 0.041 119.684 119.914 -0.452 0.000 2.270 221 V HA -0.214 3.906 4.120 0.001 0.000 0.245 221 V C 2.224 178.084 176.094 -0.389 0.000 1.043 221 V CA 1.372 63.321 62.300 -0.585 0.000 1.014 221 V CB -0.412 30.804 31.823 -1.012 0.000 0.645 221 V HN 0.166 nan 8.190 nan 0.000 0.447 222 V N -0.114 119.607 119.914 -0.321 0.000 2.287 222 V HA -0.327 3.793 4.120 0.001 0.000 0.248 222 V C 2.511 178.513 176.094 -0.153 0.000 1.053 222 V CA 2.385 64.557 62.300 -0.213 0.000 1.027 222 V CB -0.752 30.972 31.823 -0.165 0.000 0.646 222 V HN 0.588 nan 8.190 nan 0.000 0.447 223 Q N 0.643 120.362 119.800 -0.135 0.000 2.096 223 Q HA -0.194 4.147 4.340 0.001 0.000 0.204 223 Q C 2.097 178.035 176.000 -0.103 0.000 0.982 223 Q CA 2.418 58.159 55.803 -0.104 0.000 0.850 223 Q CB -0.700 27.988 28.738 -0.083 0.000 0.901 223 Q HN 0.599 nan 8.270 nan 0.000 0.422 224 A N -0.161 122.591 122.820 -0.114 0.000 1.865 224 A HA -0.162 4.159 4.320 0.001 0.000 0.217 224 A C 2.233 179.773 177.584 -0.073 0.000 1.191 224 A CA 2.410 54.395 52.037 -0.087 0.000 0.623 224 A CB -1.295 17.652 19.000 -0.088 0.000 0.826 224 A HN 0.557 nan 8.150 nan 0.000 0.444 225 V N -2.535 117.326 119.914 -0.087 0.000 2.515 225 V HA -0.137 3.984 4.120 0.001 0.000 0.250 225 V C 2.168 178.220 176.094 -0.070 0.000 1.058 225 V CA 1.965 64.225 62.300 -0.068 0.000 1.064 225 V CB -1.232 30.546 31.823 -0.074 0.000 0.675 225 V HN 0.192 nan 8.190 nan 0.000 0.461 226 V N 2.188 122.055 119.914 -0.079 0.000 2.295 226 V HA -0.215 3.906 4.120 0.001 0.000 0.246 226 V C 3.116 179.172 176.094 -0.065 0.000 1.049 226 V CA 2.528 64.787 62.300 -0.069 0.000 1.024 226 V CB -0.721 31.060 31.823 -0.071 0.000 0.648 226 V HN 0.843 nan 8.190 nan 0.000 0.447 227 S N 0.764 116.420 115.700 -0.072 0.000 2.419 227 S HA -0.112 4.359 4.470 0.001 0.000 0.233 227 S C 1.969 176.539 174.600 -0.049 0.000 1.016 227 S CA 1.364 59.524 58.200 -0.068 0.000 0.974 227 S CB -0.345 62.811 63.200 -0.072 0.000 0.786 227 S HN 0.560 nan 8.310 nan 0.000 0.492 228 A N 2.039 124.833 122.820 -0.044 0.000 1.903 228 A HA 0.385 4.705 4.320 0.001 0.000 0.213 228 A C 2.168 179.733 177.584 -0.031 0.000 1.185 228 A CA 1.019 53.036 52.037 -0.032 0.000 0.628 228 A CB -0.488 18.496 19.000 -0.026 0.000 0.830 228 A HN 0.947 nan 8.150 nan 0.000 0.446 229 I N -5.271 115.276 120.570 -0.039 0.000 4.240 229 I HA 0.558 4.728 4.170 0.001 0.000 0.331 229 I C 0.618 176.715 176.117 -0.033 0.000 1.381 229 I CA 0.102 61.380 61.300 -0.037 0.000 1.136 229 I CB 0.316 38.284 38.000 -0.053 0.000 1.137 229 I HN 0.420 nan 8.210 nan 0.000 0.411 230 G N 1.565 110.344 108.800 -0.035 0.000 2.879 230 G HA2 -0.021 3.940 3.960 0.001 0.000 0.686 230 G HA3 -0.021 3.940 3.960 0.001 0.000 0.686 230 G C 0.524 175.412 174.900 -0.020 0.000 1.115 230 G CA -0.299 44.785 45.100 -0.027 0.000 0.770 230 G HN 0.590 nan 8.290 nan 0.000 0.601 231 A N 1.553 124.363 122.820 -0.016 0.000 1.908 231 A HA -0.029 4.292 4.320 0.001 0.000 0.218 231 A C 2.172 179.775 177.584 0.032 0.000 1.181 231 A CA 2.500 54.535 52.037 -0.003 0.000 0.627 231 A CB -0.423 18.579 19.000 0.003 0.000 0.818 231 A HN 1.608 nan 8.150 nan 0.000 0.445 232 D N -0.745 119.686 120.400 0.052 0.000 2.392 232 D HA -0.121 4.520 4.640 0.001 0.000 0.228 232 D C 1.363 177.814 176.300 0.251 0.000 1.003 232 D CA 0.674 54.747 54.000 0.121 0.000 0.917 232 D CB -0.421 40.418 40.800 0.066 0.000 0.890 232 D HN 0.522 nan 8.370 nan 0.000 0.532 233 R N -0.211 120.374 120.500 0.141 0.000 2.468 233 R HA 0.299 4.639 4.340 0.001 0.000 0.280 233 R C -0.597 175.643 176.300 -0.100 0.000 0.963 233 R CA -0.161 55.976 56.100 0.061 0.000 1.083 233 R CB 1.350 31.634 30.300 -0.026 0.000 1.200 233 R HN 0.023 nan 8.270 nan 0.000 0.541 234 V N 0.380 120.301 119.914 0.011 0.000 2.483 234 V HA 0.551 4.672 4.120 0.001 0.000 0.297 234 V C 0.205 176.208 176.094 -0.152 0.000 1.027 234 V CA -0.913 61.348 62.300 -0.065 0.000 0.855 234 V CB 1.748 33.520 31.823 -0.086 0.000 0.995 234 V HN 0.255 nan 8.190 nan 0.000 0.424 235 G N 2.969 111.603 108.800 -0.275 0.000 2.432 235 G HA2 0.700 4.660 3.960 0.001 0.000 0.331 235 G HA3 0.700 4.660 3.960 0.001 0.000 0.331 235 G C -1.387 173.293 174.900 -0.368 0.000 1.170 235 G CA -0.627 43.947 45.100 -0.877 0.000 0.943 235 G HN 0.555 nan 8.290 nan 0.000 0.483 236 V N 1.107 120.855 119.914 -0.276 0.000 2.577 236 V HA 0.542 4.662 4.120 0.001 0.000 0.303 236 V C -0.063 176.020 176.094 -0.017 0.000 1.042 236 V CA -0.868 61.364 62.300 -0.113 0.000 0.872 236 V CB 1.705 33.444 31.823 -0.141 0.000 0.998 236 V HN 0.787 nan 8.190 nan 0.000 0.423 237 R N 3.358 123.840 120.500 -0.030 0.000 2.387 237 R HA 0.844 5.184 4.340 0.001 0.000 0.314 237 R C -1.013 175.211 176.300 -0.128 0.000 0.958 237 R CA -0.333 55.702 56.100 -0.108 0.000 0.846 237 R CB 1.845 31.975 30.300 -0.284 0.000 1.147 237 R HN 0.704 nan 8.270 nan 0.000 0.447 238 V N 0.139 119.976 119.914 -0.129 0.000 3.160 238 V HA 0.723 4.844 4.120 0.001 0.000 0.310 238 V C -0.684 175.361 176.094 -0.081 0.000 1.181 238 V CA -0.788 61.465 62.300 -0.079 0.000 1.047 238 V CB 2.216 34.024 31.823 -0.025 0.000 1.068 238 V HN 0.830 nan 8.190 nan 0.000 0.441 239 S N -0.503 115.184 115.700 -0.021 0.000 2.564 239 S HA 0.442 4.912 4.470 0.001 0.000 0.141 239 S C -1.815 172.824 174.600 0.065 0.000 1.474 239 S CA -0.400 57.822 58.200 0.037 0.000 1.236 239 S CB 1.073 64.335 63.200 0.104 0.000 1.481 239 S HN 0.744 nan 8.310 nan 0.000 0.397 240 P HA -0.022 nan 4.420 nan 0.000 0.221 240 P C 1.118 178.457 177.300 0.065 0.000 1.145 240 P CA 1.276 64.413 63.100 0.061 0.000 0.795 240 P CB 0.027 31.763 31.700 0.060 0.000 0.775 241 A N -1.007 121.857 122.820 0.074 0.000 2.308 241 A HA 0.253 4.573 4.320 0.001 0.000 0.217 241 A C 1.125 178.758 177.584 0.081 0.000 1.216 241 A CA -0.187 51.894 52.037 0.073 0.000 0.864 241 A CB -0.455 18.589 19.000 0.074 0.000 0.902 241 A HN 0.124 nan 8.150 nan 0.000 0.499 242 I N 1.122 121.748 120.570 0.094 0.000 2.321 242 I HA 0.155 4.325 4.170 0.001 0.000 0.291 242 I C -0.117 176.061 176.117 0.100 0.000 0.998 242 I CA -0.533 60.832 61.300 0.108 0.000 1.227 242 I CB 1.730 39.813 38.000 0.139 0.000 1.368 242 I HN 0.332 nan 8.210 nan 0.000 0.466 243 D N 4.052 124.515 120.400 0.106 0.000 2.395 243 D HA -0.048 4.592 4.640 0.001 0.000 0.226 243 D C 0.753 177.075 176.300 0.036 0.000 1.146 243 D CA -0.229 53.819 54.000 0.080 0.000 0.830 243 D CB -0.088 40.777 40.800 0.108 0.000 0.958 243 D HN 0.388 nan 8.370 nan 0.000 0.501 244 H N 2.026 121.027 119.070 -0.115 0.000 3.064 244 H HA -0.061 4.495 4.556 0.001 0.000 0.329 244 H C 0.884 175.747 175.328 -0.776 0.000 1.020 244 H CA 0.560 56.359 56.048 -0.415 0.000 1.402 244 H CB 0.508 30.100 29.762 -0.284 0.000 1.379 244 H HN 0.187 nan 8.280 nan 0.000 0.594 245 L N 5.054 124.994 121.223 -2.139 0.000 3.597 245 L HA -0.296 4.045 4.340 0.001 0.000 0.440 245 L C -0.190 176.141 176.870 -0.898 0.000 1.277 245 L CA 0.770 54.510 54.840 -1.833 0.000 0.852 245 L CB -1.385 39.942 42.059 -1.220 0.000 1.708 245 L HN 0.877 nan 8.230 nan 0.000 0.885 246 D N -1.453 118.632 120.400 -0.524 0.000 2.689 246 D HA -0.182 4.458 4.640 0.001 0.000 0.237 246 D C 0.693 176.904 176.300 -0.148 0.000 1.148 246 D CA 1.485 55.409 54.000 -0.126 0.000 0.656 246 D CB -0.491 40.269 40.800 -0.068 0.000 1.050 246 D HN 0.699 nan 8.370 nan 0.000 0.426 247 A N 0.624 123.353 122.820 -0.152 0.000 3.047 247 A HA 0.559 4.880 4.320 0.001 0.000 0.337 247 A C 0.212 177.781 177.584 -0.025 0.000 1.143 247 A CA -0.524 51.455 52.037 -0.097 0.000 0.905 247 A CB 0.412 19.340 19.000 -0.121 0.000 1.088 247 A HN 0.269 nan 8.150 nan 0.000 0.488 248 M N 1.024 120.620 119.600 -0.006 0.000 2.508 248 M HA 0.537 5.017 4.480 0.001 0.000 0.327 248 M C -1.556 174.755 176.300 0.018 0.000 1.160 248 M CA -0.457 54.855 55.300 0.020 0.000 0.980 248 M CB 1.841 34.462 32.600 0.034 0.000 1.693 248 M HN 0.510 nan 8.290 nan 0.000 0.452 249 D N 0.401 120.817 120.400 0.027 0.000 2.457 249 D HA 0.321 4.961 4.640 0.001 0.000 0.240 249 D C 0.667 176.983 176.300 0.028 0.000 1.041 249 D CA -0.284 53.731 54.000 0.026 0.000 0.861 249 D CB 1.879 42.699 40.800 0.033 0.000 1.394 249 D HN 0.640 nan 8.370 nan 0.000 0.473 250 S N 2.645 118.359 115.700 0.024 0.000 2.474 250 S HA -0.098 4.373 4.470 0.001 0.000 0.235 250 S C 0.766 175.381 174.600 0.026 0.000 0.997 250 S CA 0.376 58.590 58.200 0.023 0.000 0.949 250 S CB -0.104 63.107 63.200 0.019 0.000 0.766 250 S HN 0.434 nan 8.310 nan 0.000 0.517 251 N N 1.186 119.903 118.700 0.028 0.000 2.725 251 N HA 0.409 5.150 4.740 0.001 0.000 0.248 251 N C -2.677 172.854 175.510 0.035 0.000 1.402 251 N CA -2.029 51.039 53.050 0.030 0.000 0.766 251 N CB 1.457 39.960 38.487 0.027 0.000 1.223 251 N HN -0.083 nan 8.380 nan 0.000 0.515 252 P HA -0.169 nan 4.420 nan 0.000 0.215 252 P C 1.653 178.981 177.300 0.047 0.000 1.163 252 P CA 0.672 63.799 63.100 0.045 0.000 0.894 252 P CB 0.446 32.175 31.700 0.048 0.000 0.791 253 L N -0.594 120.655 121.223 0.044 0.000 1.989 253 L HA -0.167 4.174 4.340 0.001 0.000 0.211 253 L C 2.255 179.150 176.870 0.042 0.000 1.071 253 L CA 2.074 56.940 54.840 0.044 0.000 0.749 253 L CB -1.499 40.582 42.059 0.037 0.000 0.890 253 L HN -0.122 nan 8.230 nan 0.000 0.431 254 S N -0.688 115.034 115.700 0.037 0.000 2.370 254 S HA -0.174 4.297 4.470 0.001 0.000 0.226 254 S C 1.803 176.427 174.600 0.039 0.000 1.033 254 S CA 1.487 59.708 58.200 0.035 0.000 1.011 254 S CB -0.558 62.660 63.200 0.030 0.000 0.852 254 S HN 0.462 nan 8.310 nan 0.000 0.457 255 L N 2.022 123.270 121.223 0.042 0.000 2.017 255 L HA 0.007 4.347 4.340 0.001 0.000 0.208 255 L C 2.243 179.142 176.870 0.048 0.000 1.073 255 L CA 2.203 57.071 54.840 0.046 0.000 0.745 255 L CB -1.400 40.688 42.059 0.048 0.000 0.894 255 L HN 0.288 nan 8.230 nan 0.000 0.432 256 G N -0.387 108.444 108.800 0.051 0.000 2.421 256 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 256 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 256 G C 1.626 176.559 174.900 0.055 0.000 1.171 256 G CA 1.095 46.229 45.100 0.057 0.000 0.775 256 G HN 0.444 nan 8.290 nan 0.000 0.543 257 L N 0.658 121.912 121.223 0.052 0.000 2.083 257 L HA -0.061 4.279 4.340 0.001 0.000 0.209 257 L C 3.393 180.292 176.870 0.049 0.000 1.083 257 L CA 0.918 55.789 54.840 0.052 0.000 0.752 257 L CB -0.364 41.721 42.059 0.043 0.000 0.899 257 L HN 0.322 nan 8.230 nan 0.000 0.433 258 A N -0.450 122.396 122.820 0.043 0.000 1.933 258 A HA -0.128 4.193 4.320 0.001 0.000 0.218 258 A C 2.325 179.933 177.584 0.040 0.000 1.175 258 A CA 1.575 53.636 52.037 0.040 0.000 0.628 258 A CB -0.664 18.359 19.000 0.039 0.000 0.814 258 A HN 0.195 nan 8.150 nan 0.000 0.444 259 V N -0.519 119.418 119.914 0.038 0.000 2.358 259 V HA -0.197 3.924 4.120 0.001 0.000 0.246 259 V C 2.566 178.674 176.094 0.023 0.000 1.047 259 V CA 1.845 64.160 62.300 0.026 0.000 1.035 259 V CB -0.612 31.222 31.823 0.019 0.000 0.658 259 V HN 0.364 nan 8.190 nan 0.000 0.452 260 V N 0.065 120.003 119.914 0.041 0.000 2.343 260 V HA -0.276 3.845 4.120 0.001 0.000 0.247 260 V C 2.550 178.709 176.094 0.107 0.000 1.051 260 V CA 2.289 64.633 62.300 0.073 0.000 1.036 260 V CB -0.570 31.320 31.823 0.112 0.000 0.654 260 V HN 0.662 nan 8.190 nan 0.000 0.451 261 E N 0.229 120.476 120.200 0.079 0.000 2.077 261 E HA -0.250 4.101 4.350 0.001 0.000 0.193 261 E C 2.456 179.094 176.600 0.064 0.000 0.989 261 E CA 1.150 57.592 56.400 0.070 0.000 0.800 261 E CB -0.015 29.714 29.700 0.049 0.000 0.746 261 E HN 0.416 nan 8.360 nan 0.000 0.452 262 R N 0.376 120.905 120.500 0.049 0.000 2.081 262 R HA -0.094 4.246 4.340 0.001 0.000 0.235 262 R C 2.593 178.921 176.300 0.047 0.000 1.131 262 R CA 0.773 56.895 56.100 0.037 0.000 0.960 262 R CB -0.915 29.397 30.300 0.020 0.000 0.856 262 R HN 0.339 nan 8.270 nan 0.000 0.436 263 L N 0.940 122.197 121.223 0.056 0.000 2.093 263 L HA -0.151 4.190 4.340 0.001 0.000 0.208 263 L C 1.939 178.903 176.870 0.157 0.000 1.085 263 L CA 1.063 55.952 54.840 0.082 0.000 0.755 263 L CB -0.562 41.521 42.059 0.040 0.000 0.904 263 L HN 0.140 nan 8.230 nan 0.000 0.435 264 N N 0.311 119.116 118.700 0.175 0.000 2.166 264 N HA -0.189 4.552 4.740 0.001 0.000 0.186 264 N C 1.779 177.342 175.510 0.089 0.000 1.019 264 N CA 1.139 54.276 53.050 0.145 0.000 0.856 264 N CB -0.119 38.440 38.487 0.120 0.000 0.993 264 N HN 0.310 nan 8.380 nan 0.000 0.426 265 K N 0.763 121.209 120.400 0.076 0.000 2.103 265 K HA 0.071 4.391 4.320 0.001 0.000 0.204 265 K C 1.967 178.622 176.600 0.091 0.000 1.052 265 K CA 0.510 56.835 56.287 0.063 0.000 0.945 265 K CB 0.005 32.532 32.500 0.046 0.000 0.722 265 K HN 0.083 nan 8.250 nan 0.000 0.443 266 I N 1.232 121.852 120.570 0.085 0.000 2.286 266 I HA -0.299 3.871 4.170 0.001 0.000 0.248 266 I C 2.352 178.513 176.117 0.074 0.000 1.115 266 I CA 1.273 62.620 61.300 0.079 0.000 1.392 266 I CB -0.181 37.839 38.000 0.033 0.000 1.065 266 I HN 0.283 nan 8.210 nan 0.000 0.418 267 Q N 0.478 120.324 119.800 0.076 0.000 2.084 267 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 267 Q C 2.392 178.426 176.000 0.057 0.000 0.978 267 Q CA 1.338 57.178 55.803 0.062 0.000 0.844 267 Q CB -0.137 28.642 28.738 0.068 0.000 0.898 267 Q HN 0.530 nan 8.270 nan 0.000 0.426 268 L N -0.534 120.729 121.223 0.067 0.000 2.093 268 L HA -0.192 4.148 4.340 0.001 0.000 0.208 268 L C 2.452 179.385 176.870 0.106 0.000 1.085 268 L CA 1.273 56.149 54.840 0.060 0.000 0.755 268 L CB -0.530 41.554 42.059 0.040 0.000 0.904 268 L HN 0.383 nan 8.230 nan 0.000 0.435 269 H N -0.840 118.230 119.070 0.000 0.000 2.428 269 H HA -0.084 4.473 4.556 0.001 0.000 0.296 269 H C 2.048 177.373 175.328 -0.005 0.000 1.062 269 H CA 1.052 57.098 56.048 -0.003 0.000 1.350 269 H CB 0.526 30.286 29.762 -0.004 0.000 1.403 269 H HN 0.228 nan 8.280 nan 0.000 0.533 270 S N -0.952 114.782 115.700 0.056 0.000 2.503 270 S HA 0.128 4.599 4.470 0.001 0.000 0.217 270 S C 1.239 175.840 174.600 0.002 0.000 0.999 270 S CA 0.526 58.706 58.200 -0.033 0.000 0.914 270 S CB 0.799 63.967 63.200 -0.053 0.000 0.782 270 S HN 0.750 nan 8.310 nan 0.000 0.520 271 G N 2.299 111.116 108.800 0.028 0.000 2.221 271 G HA2 -0.226 3.735 3.960 0.001 0.000 0.265 271 G HA3 -0.226 3.735 3.960 0.001 0.000 0.265 271 G C 0.008 174.909 174.900 0.002 0.000 1.041 271 G CA 0.352 45.462 45.100 0.016 0.000 0.807 271 G HN 0.961 nan 8.290 nan 0.000 0.502 272 S N -2.098 113.605 115.700 0.005 0.000 2.567 272 S HA 0.724 5.194 4.470 0.001 0.000 0.270 272 S C -0.843 173.765 174.600 0.013 0.000 1.152 272 S CA -1.197 57.003 58.200 0.000 0.000 0.835 272 S CB 1.817 65.013 63.200 -0.007 0.000 1.115 272 S HN 0.410 nan 8.310 nan 0.000 0.459 273 K N 0.979 121.389 120.400 0.016 0.000 2.130 273 K HA 0.532 4.852 4.320 0.001 0.000 0.268 273 K C -0.370 176.272 176.600 0.070 0.000 0.983 273 K CA -0.683 55.628 56.287 0.040 0.000 0.893 273 K CB 1.051 33.563 32.500 0.019 0.000 1.066 273 K HN 0.494 nan 8.250 nan 0.000 0.450 274 L N 1.405 122.695 121.223 0.111 0.000 2.474 274 L HA -0.018 4.322 4.340 0.001 0.000 0.259 274 L C 1.698 178.636 176.870 0.114 0.000 1.232 274 L CA 0.134 55.029 54.840 0.091 0.000 0.821 274 L CB 0.337 42.449 42.059 0.088 0.000 1.108 274 L HN 0.843 nan 8.230 nan 0.000 0.495 275 A N 1.091 123.948 122.820 0.063 0.000 1.933 275 A HA -0.031 4.290 4.320 0.001 0.000 0.218 275 A C 0.205 177.908 177.584 0.197 0.000 1.175 275 A CA 1.817 53.932 52.037 0.130 0.000 0.628 275 A CB -0.362 18.739 19.000 0.167 0.000 0.814 275 A HN 0.773 nan 8.150 nan 0.000 0.444 276 Y N -5.582 114.802 120.300 0.140 0.000 2.889 276 Y HA 0.531 5.081 4.550 0.001 0.000 0.379 276 Y C -1.598 174.315 175.900 0.022 0.000 1.179 276 Y CA -2.085 56.093 58.100 0.130 0.000 1.178 276 Y CB 0.094 38.548 38.460 -0.009 0.000 1.460 276 Y HN 0.210 nan 8.280 nan 0.000 0.472 277 L N 2.854 124.205 121.223 0.214 0.000 2.325 277 L HA 0.622 4.963 4.340 0.001 0.000 0.281 277 L C -1.441 175.431 176.870 0.004 0.000 1.004 277 L CA -0.464 54.324 54.840 -0.087 0.000 0.823 277 L CB 0.990 42.763 42.059 -0.478 0.000 1.236 277 L HN 0.848 nan 8.230 nan 0.000 0.415 278 H N 4.469 123.502 119.070 -0.061 0.000 2.511 278 H HA 0.699 5.255 4.556 0.001 0.000 0.328 278 H C -1.508 173.652 175.328 -0.281 0.000 1.044 278 H CA -0.674 55.246 56.048 -0.213 0.000 1.212 278 H CB 1.474 31.229 29.762 -0.012 0.000 1.428 278 H HN 0.430 nan 8.280 nan 0.000 0.483 279 V N 5.150 124.946 119.914 -0.198 0.000 2.531 279 V HA 0.269 4.390 4.120 0.001 0.000 0.301 279 V C -0.024 176.011 176.094 -0.098 0.000 1.034 279 V CA -0.888 61.314 62.300 -0.162 0.000 0.865 279 V CB 1.842 33.628 31.823 -0.062 0.000 0.995 279 V HN 0.940 nan 8.190 nan 0.000 0.424 280 T N 2.245 116.756 114.554 -0.073 0.000 2.767 280 T HA 0.654 5.004 4.350 0.001 0.000 0.288 280 T C -0.392 174.357 174.700 0.080 0.000 0.963 280 T CA -0.723 61.387 62.100 0.018 0.000 1.019 280 T CB 1.352 70.287 68.868 0.112 0.000 0.923 280 T HN 0.799 nan 8.240 nan 0.000 0.468 281 Q N 2.260 122.122 119.800 0.103 0.000 2.248 281 Q HA 0.683 5.024 4.340 0.001 0.000 0.263 281 Q C -2.907 173.132 176.000 0.066 0.000 1.007 281 Q CA -2.439 53.423 55.803 0.099 0.000 0.877 281 Q CB 0.832 29.644 28.738 0.123 0.000 1.315 281 Q HN 0.326 nan 8.270 nan 0.000 0.454 282 P HA 0.366 nan 4.420 nan 0.000 0.276 282 P C -1.124 176.190 177.300 0.023 0.000 1.244 282 P CA -0.472 62.657 63.100 0.047 0.000 0.801 282 P CB 0.908 32.642 31.700 0.057 0.000 1.006 299 E N 0.575 120.781 120.200 0.010 0.000 2.077 299 E HA -0.022 4.328 4.350 0.001 0.000 0.193 299 E C 2.278 178.889 176.600 0.018 0.000 0.989 299 E CA 3.204 59.612 56.400 0.013 0.000 0.800 299 E CB -1.245 28.462 29.700 0.012 0.000 0.746 299 E HN 1.137 nan 8.360 nan 0.000 0.452 300 E N 1.167 121.378 120.200 0.019 0.000 2.106 300 E HA -0.190 4.160 4.350 0.001 0.000 0.192 300 E C 2.009 178.627 176.600 0.031 0.000 0.984 300 E CA 1.272 57.686 56.400 0.023 0.000 0.806 300 E CB -0.424 29.290 29.700 0.023 0.000 0.750 300 E HN 0.623 nan 8.360 nan 0.000 0.458 301 E N -0.191 120.028 120.200 0.031 0.000 2.107 301 E HA 0.038 4.388 4.350 0.001 0.000 0.191 301 E C 2.430 179.062 176.600 0.053 0.000 0.982 301 E CA 1.043 57.468 56.400 0.042 0.000 0.809 301 E CB -0.252 29.469 29.700 0.035 0.000 0.756 301 E HN 0.545 nan 8.360 nan 0.000 0.459 302 A N 1.561 124.406 122.820 0.042 0.000 1.898 302 A HA -0.159 4.161 4.320 0.001 0.000 0.216 302 A C 2.222 179.835 177.584 0.047 0.000 1.181 302 A CA 1.451 53.520 52.037 0.053 0.000 0.620 302 A CB -0.423 18.599 19.000 0.036 0.000 0.819 302 A HN 0.101 nan 8.150 nan 0.000 0.442 303 R N -0.515 120.005 120.500 0.033 0.000 2.081 303 R HA -0.054 4.287 4.340 0.001 0.000 0.235 303 R C 2.128 178.443 176.300 0.025 0.000 1.131 303 R CA 1.514 57.627 56.100 0.023 0.000 0.960 303 R CB -0.392 29.919 30.300 0.019 0.000 0.856 303 R HN 0.540 nan 8.270 nan 0.000 0.436 304 L N 0.276 121.522 121.223 0.039 0.000 2.046 304 L HA -0.217 4.123 4.340 0.001 0.000 0.208 304 L C 2.304 179.210 176.870 0.060 0.000 1.077 304 L CA 1.252 56.120 54.840 0.048 0.000 0.747 304 L CB -0.126 41.968 42.059 0.057 0.000 0.896 304 L HN 0.325 nan 8.230 nan 0.000 0.432 305 M N -0.696 118.955 119.600 0.086 0.000 2.067 305 M HA -0.239 4.241 4.480 0.001 0.000 0.260 305 M C 2.460 178.749 176.300 -0.017 0.000 1.069 305 M CA 1.655 57.035 55.300 0.134 0.000 1.117 305 M CB -1.208 31.517 32.600 0.209 0.000 1.334 305 M HN 0.210 nan 8.290 nan 0.000 0.407 306 R N 0.203 120.679 120.500 -0.040 0.000 2.152 306 R HA -0.070 4.270 4.340 0.001 0.000 0.232 306 R C 1.935 178.157 176.300 -0.130 0.000 1.117 306 R CA 1.895 57.920 56.100 -0.124 0.000 0.981 306 R CB -0.893 29.374 30.300 -0.055 0.000 0.870 306 R HN 0.342 nan 8.270 nan 0.000 0.451 307 T N 0.894 115.412 114.554 -0.060 0.000 2.708 307 T HA -0.068 4.283 4.350 0.001 0.000 0.266 307 T C 1.697 176.370 174.700 -0.044 0.000 1.037 307 T CA 1.535 63.613 62.100 -0.037 0.000 1.146 307 T CB -0.164 68.704 68.868 -0.001 0.000 0.865 307 T HN 0.151 nan 8.240 nan 0.000 0.435 308 L N 0.570 121.773 121.223 -0.034 0.000 2.017 308 L HA -0.083 4.257 4.340 0.001 0.000 0.208 308 L C 3.008 179.829 176.870 -0.082 0.000 1.073 308 L CA 1.173 56.020 54.840 0.012 0.000 0.745 308 L CB -0.583 41.553 42.059 0.127 0.000 0.894 308 L HN 0.109 nan 8.230 nan 0.000 0.432 309 R N 0.981 121.217 120.500 -0.441 0.000 2.080 309 R HA -0.186 4.155 4.340 0.001 0.000 0.236 309 R C 1.907 178.076 176.300 -0.219 0.000 1.137 309 R CA 2.002 57.681 56.100 -0.702 0.000 0.943 309 R CB -0.647 28.952 30.300 -1.168 0.000 0.846 309 R HN 0.414 nan 8.270 nan 0.000 0.431 310 N N 0.565 119.166 118.700 -0.166 0.000 2.289 310 N HA -0.123 4.618 4.740 0.001 0.000 0.184 310 N C 1.421 176.918 175.510 -0.022 0.000 1.016 310 N CA 1.360 54.364 53.050 -0.077 0.000 0.872 310 N CB -0.246 38.204 38.487 -0.062 0.000 0.973 310 N HN 0.335 nan 8.380 nan 0.000 0.433 311 A N -0.633 122.193 122.820 0.011 0.000 2.072 311 A HA -0.020 4.301 4.320 0.001 0.000 0.216 311 A C 0.691 178.350 177.584 0.125 0.000 1.156 311 A CA -0.019 52.051 52.037 0.056 0.000 0.701 311 A CB -0.333 18.704 19.000 0.062 0.000 0.816 311 A HN 0.380 nan 8.150 nan 0.000 0.458 312 Y N 0.964 121.268 120.300 0.007 0.000 2.327 312 Y HA 0.338 4.888 4.550 0.001 0.000 0.336 312 Y C 0.149 176.077 175.900 0.047 0.000 1.035 312 Y CA -0.667 57.462 58.100 0.049 0.000 1.165 312 Y CB 0.614 39.143 38.460 0.115 0.000 1.181 312 Y HN 0.234 nan 8.280 nan 0.000 0.494 313 Q N 5.792 125.270 119.800 -0.536 0.000 3.026 313 Q HA 0.378 4.718 4.340 0.001 0.000 0.258 313 Q C -0.123 175.321 176.000 -0.927 0.000 1.388 313 Q CA -0.036 55.454 55.803 -0.521 0.000 1.000 313 Q CB 0.277 28.867 28.738 -0.247 0.000 1.634 313 Q HN 0.952 nan 8.270 nan 0.000 0.571 314 G N -0.152 108.087 108.800 -0.934 0.000 2.323 314 G HA2 0.044 4.004 3.960 0.001 0.000 0.291 314 G HA3 0.044 4.004 3.960 0.001 0.000 0.291 314 G C -0.993 173.920 174.900 0.022 0.000 1.278 314 G CA -0.895 43.875 45.100 -0.551 0.000 0.860 314 G HN 0.132 nan 8.290 nan 0.000 0.504 315 T N 0.678 115.417 114.554 0.309 0.000 2.901 315 T HA 0.458 4.808 4.350 0.001 0.000 0.301 315 T C -1.015 173.975 174.700 0.483 0.000 1.012 315 T CA 0.640 62.967 62.100 0.377 0.000 1.135 315 T CB 0.552 69.642 68.868 0.371 0.000 0.936 315 T HN 0.483 nan 8.240 nan 0.000 0.539 316 F N 3.923 123.948 119.950 0.124 0.000 2.493 316 F HA 0.591 5.119 4.527 0.001 0.000 0.329 316 F C -0.841 174.895 175.800 -0.107 0.000 1.126 316 F CA -1.296 56.748 58.000 0.074 0.000 0.937 316 F CB 0.817 39.869 39.000 0.086 0.000 1.146 316 F HN 0.403 nan 8.300 nan 0.000 0.442 317 I N 6.738 126.959 120.570 -0.581 0.000 2.355 317 I HA 0.271 4.442 4.170 0.001 0.000 0.288 317 I C -0.486 175.226 176.117 -0.675 0.000 0.999 317 I CA -0.815 60.099 61.300 -0.642 0.000 1.163 317 I CB 0.893 38.316 38.000 -0.961 0.000 1.316 317 I HN 0.648 nan 8.210 nan 0.000 0.454 318 C N 3.088 122.088 119.300 -0.500 0.000 2.370 318 C HA 0.865 5.326 4.460 0.001 0.000 0.354 318 C C 0.323 175.067 174.990 -0.409 0.000 1.218 318 C CA -0.452 58.341 59.018 -0.376 0.000 2.154 318 C CB 1.009 28.606 27.740 -0.237 0.000 2.391 318 C HN 0.816 nan 8.230 nan 0.000 0.540 319 S N 0.462 116.092 115.700 -0.116 0.000 2.596 319 S HA 0.855 5.326 4.470 0.001 0.000 0.270 319 S C -0.526 174.206 174.600 0.220 0.000 1.155 319 S CA 0.589 58.782 58.200 -0.012 0.000 0.827 319 S CB 1.451 64.660 63.200 0.017 0.000 1.130 319 S HN 2.852 nan 8.310 nan 0.000 0.467 320 G N 0.886 109.812 108.800 0.209 0.000 2.992 320 G HA2 0.442 4.402 3.960 0.001 0.000 0.677 320 G HA3 0.442 4.402 3.960 0.001 0.000 0.677 320 G C 0.890 175.805 174.900 0.026 0.000 1.191 320 G CA 0.340 45.506 45.100 0.110 0.000 1.178 320 G HN 2.113 nan 8.290 nan 0.000 0.506 321 G N 0.042 108.845 108.800 0.005 0.000 2.179 321 G HA2 -0.224 3.737 3.960 0.001 0.000 0.257 321 G HA3 -0.224 3.737 3.960 0.001 0.000 0.257 321 G C 0.504 175.323 174.900 -0.134 0.000 1.010 321 G CA 1.012 46.081 45.100 -0.052 0.000 0.736 321 G HN 1.548 nan 8.290 nan 0.000 0.513 322 Y N 0.991 121.231 120.300 -0.100 0.000 2.304 322 Y HA 0.508 5.059 4.550 0.001 0.000 0.327 322 Y C 1.465 177.404 175.900 0.064 0.000 1.209 322 Y CA 0.637 58.663 58.100 -0.123 0.000 1.299 322 Y CB 1.221 39.444 38.460 -0.395 0.000 1.249 322 Y HN 0.362 nan 8.280 nan 0.000 0.519 323 T N -1.245 113.486 114.554 0.295 0.000 2.807 323 T HA 0.361 4.712 4.350 0.001 0.000 0.277 323 T C 1.035 175.965 174.700 0.382 0.000 1.006 323 T CA -0.988 61.311 62.100 0.332 0.000 1.006 323 T CB 1.555 70.513 68.868 0.151 0.000 1.274 323 T HN 0.665 nan 8.240 nan 0.000 0.569 324 R N 0.365 120.983 120.500 0.197 0.000 2.080 324 R HA -0.134 4.206 4.340 0.001 0.000 0.236 324 R C 1.925 178.313 176.300 0.146 0.000 1.137 324 R CA 2.041 58.214 56.100 0.121 0.000 0.943 324 R CB -0.507 29.812 30.300 0.032 0.000 0.846 324 R HN 0.716 nan 8.270 nan 0.000 0.431 325 E N 0.782 121.051 120.200 0.115 0.000 2.058 325 E HA -0.172 4.179 4.350 0.001 0.000 0.194 325 E C 1.982 178.654 176.600 0.120 0.000 0.997 325 E CA 1.420 57.877 56.400 0.096 0.000 0.801 325 E CB -0.274 29.465 29.700 0.066 0.000 0.746 325 E HN 0.374 nan 8.360 nan 0.000 0.450 326 L N -0.181 121.128 121.223 0.144 0.000 2.201 326 L HA -0.016 4.324 4.340 0.001 0.000 0.212 326 L C 2.280 179.332 176.870 0.304 0.000 1.105 326 L CA 1.036 55.978 54.840 0.170 0.000 0.775 326 L CB -0.547 41.549 42.059 0.062 0.000 0.913 326 L HN 0.247 nan 8.230 nan 0.000 0.440 327 G N 0.271 109.260 108.800 0.316 0.000 2.394 327 G HA2 -0.163 3.797 3.960 0.001 0.000 0.214 327 G HA3 -0.163 3.797 3.960 0.001 0.000 0.214 327 G C 1.595 176.579 174.900 0.140 0.000 1.176 327 G CA 0.378 45.624 45.100 0.243 0.000 0.786 327 G HN 0.217 nan 8.290 nan 0.000 0.533 328 I N 0.772 121.423 120.570 0.134 0.000 2.163 328 I HA -0.211 3.960 4.170 0.001 0.000 0.243 328 I C 2.729 178.896 176.117 0.082 0.000 1.085 328 I CA 1.786 63.142 61.300 0.094 0.000 1.347 328 I CB -0.247 37.808 38.000 0.092 0.000 1.044 328 I HN 0.362 nan 8.210 nan 0.000 0.408 329 E N 1.472 121.729 120.200 0.095 0.000 2.118 329 E HA -0.264 4.086 4.350 0.001 0.000 0.195 329 E C 2.202 178.854 176.600 0.086 0.000 0.992 329 E CA 1.445 57.895 56.400 0.084 0.000 0.804 329 E CB -0.048 29.703 29.700 0.085 0.000 0.741 329 E HN 0.488 nan 8.360 nan 0.000 0.458 330 A N 0.591 123.480 122.820 0.114 0.000 1.902 330 A HA -0.113 4.207 4.320 0.001 0.000 0.217 330 A C 2.388 179.996 177.584 0.040 0.000 1.181 330 A CA 1.521 53.617 52.037 0.099 0.000 0.623 330 A CB -0.522 18.541 19.000 0.105 0.000 0.818 330 A HN 0.237 nan 8.150 nan 0.000 0.443 331 V N -0.440 119.486 119.914 0.020 0.000 2.488 331 V HA -0.118 4.002 4.120 0.001 0.000 0.246 331 V C 2.992 179.098 176.094 0.019 0.000 1.046 331 V CA 1.604 63.903 62.300 -0.003 0.000 1.053 331 V CB -1.048 30.762 31.823 -0.020 0.000 0.679 331 V HN 0.589 nan 8.190 nan 0.000 0.458 332 A N -0.409 122.432 122.820 0.034 0.000 1.930 332 A HA -0.242 4.078 4.320 0.001 0.000 0.217 332 A C 2.106 179.709 177.584 0.033 0.000 1.175 332 A CA 1.617 53.677 52.037 0.037 0.000 0.627 332 A CB -0.390 18.637 19.000 0.044 0.000 0.815 332 A HN 0.631 nan 8.150 nan 0.000 0.443 333 Q N -1.669 118.151 119.800 0.034 0.000 2.451 333 Q HA 0.244 4.585 4.340 0.001 0.000 0.206 333 Q C 1.118 177.129 176.000 0.019 0.000 0.947 333 Q CA 0.385 56.206 55.803 0.028 0.000 0.937 333 Q CB 0.095 28.853 28.738 0.034 0.000 1.025 333 Q HN 0.884 nan 8.270 nan 0.000 0.511 334 G N 1.293 110.103 108.800 0.018 0.000 2.143 334 G HA2 -0.241 3.719 3.960 0.001 0.000 0.249 334 G HA3 -0.241 3.719 3.960 0.001 0.000 0.249 334 G C 0.302 175.198 174.900 -0.007 0.000 0.981 334 G CA 0.409 45.513 45.100 0.008 0.000 0.665 334 G HN 0.318 nan 8.290 nan 0.000 0.528 335 D N 0.305 120.710 120.400 0.007 0.000 2.269 335 D HA 0.392 5.032 4.640 0.001 0.000 0.208 335 D C 1.391 177.708 176.300 0.028 0.000 0.963 335 D CA 1.691 55.692 54.000 0.001 0.000 0.864 335 D CB 0.242 41.076 40.800 0.057 0.000 0.936 335 D HN 1.197 nan 8.370 nan 0.000 0.505 336 A N -0.154 122.699 122.820 0.054 0.000 2.612 336 A HA 0.364 4.685 4.320 0.001 0.000 0.293 336 A C -0.375 177.193 177.584 -0.027 0.000 1.075 336 A CA -0.664 51.449 52.037 0.125 0.000 0.680 336 A CB 1.146 20.212 19.000 0.111 0.000 1.279 336 A HN -0.240 nan 8.150 nan 0.000 0.411 337 D N -0.125 120.213 120.400 -0.103 0.000 2.323 337 D HA 0.216 4.856 4.640 0.001 0.000 0.218 337 D C 0.159 176.157 176.300 -0.502 0.000 0.973 337 D CA 1.181 54.940 54.000 -0.401 0.000 0.890 337 D CB 0.335 40.755 40.800 -0.633 0.000 1.011 337 D HN 0.425 nan 8.370 nan 0.000 0.499 338 L N 0.645 121.633 121.223 -0.391 0.000 2.388 338 L HA 0.470 4.811 4.340 0.001 0.000 0.264 338 L C -0.945 175.715 176.870 -0.350 0.000 0.998 338 L CA -0.921 53.702 54.840 -0.363 0.000 0.817 338 L CB 3.278 45.099 42.059 -0.397 0.000 1.338 338 L HN -0.359 nan 8.230 nan 0.000 0.414 339 V N 0.758 120.497 119.914 -0.291 0.000 2.444 339 V HA 0.442 4.562 4.120 0.001 0.000 0.294 339 V C -0.076 175.843 176.094 -0.292 0.000 1.022 339 V CA -0.580 61.481 62.300 -0.398 0.000 0.850 339 V CB 1.844 33.446 31.823 -0.368 0.000 0.992 339 V HN 0.862 nan 8.190 nan 0.000 0.426 340 S N 4.434 119.905 115.700 -0.382 0.000 2.525 340 S HA 0.781 5.251 4.470 0.001 0.000 0.290 340 S C -1.140 173.314 174.600 -0.243 0.000 1.152 340 S CA -0.581 57.509 58.200 -0.184 0.000 1.072 340 S CB 0.944 64.055 63.200 -0.150 0.000 1.027 340 S HN 0.486 nan 8.310 nan 0.000 0.500 341 Y N 0.776 121.124 120.300 0.079 0.000 2.393 341 Y HA 0.644 5.194 4.550 0.001 0.000 0.341 341 Y C 1.133 177.112 175.900 0.132 0.000 0.988 341 Y CA -0.579 57.593 58.100 0.119 0.000 1.078 341 Y CB 2.315 40.839 38.460 0.106 0.000 1.203 341 Y HN 0.904 nan 8.280 nan 0.000 0.453 342 G N 1.710 110.599 108.800 0.148 0.000 2.534 342 G HA2 0.049 4.010 3.960 0.001 0.000 0.224 342 G HA3 0.049 4.010 3.960 0.001 0.000 0.224 342 G C 1.180 176.039 174.900 -0.067 0.000 1.822 342 G CA -0.268 44.838 45.100 0.010 0.000 0.805 342 G HN 0.594 nan 8.290 nan 0.000 0.649 343 R N 0.027 120.401 120.500 -0.211 0.000 2.113 343 R HA -0.048 4.292 4.340 0.001 0.000 0.244 343 R C 2.620 178.741 176.300 -0.298 0.000 1.142 343 R CA 1.416 57.224 56.100 -0.488 0.000 0.953 343 R CB -0.652 29.216 30.300 -0.718 0.000 0.860 343 R HN 0.276 nan 8.270 nan 0.000 0.438 344 L N -0.792 120.418 121.223 -0.022 0.000 2.191 344 L HA -0.157 4.183 4.340 0.001 0.000 0.212 344 L C 2.042 178.869 176.870 -0.072 0.000 1.103 344 L CA 0.731 55.597 54.840 0.043 0.000 0.769 344 L CB -0.249 41.843 42.059 0.055 0.000 0.908 344 L HN 0.127 nan 8.230 nan 0.000 0.438 345 F N 0.072 119.945 119.950 -0.128 0.000 2.456 345 F HA -0.064 4.463 4.527 0.001 0.000 0.298 345 F C 2.186 177.836 175.800 -0.249 0.000 1.104 345 F CA 0.755 58.647 58.000 -0.180 0.000 1.435 345 F CB -0.132 38.786 39.000 -0.136 0.000 1.078 345 F HN -0.070 nan 8.300 nan 0.000 0.546 346 I N -0.686 119.842 120.570 -0.070 0.000 2.179 346 I HA -0.291 3.879 4.170 0.001 0.000 0.242 346 I C 2.260 178.074 176.117 -0.505 0.000 1.088 346 I CA 1.793 62.987 61.300 -0.176 0.000 1.357 346 I CB -0.508 37.318 38.000 -0.290 0.000 1.051 346 I HN 0.110 nan 8.210 nan 0.000 0.409 347 S N -0.690 114.624 115.700 -0.643 0.000 2.575 347 S HA 0.112 4.582 4.470 0.001 0.000 0.215 347 S C 0.319 174.632 174.600 -0.479 0.000 0.966 347 S CA -0.273 57.251 58.200 -1.127 0.000 0.911 347 S CB -0.390 62.464 63.200 -0.577 0.000 0.780 347 S HN 0.368 nan 8.310 nan 0.000 0.514 348 N N 2.392 120.898 118.700 -0.322 0.000 2.716 348 N HA 0.333 5.073 4.740 0.001 0.000 0.253 348 N C -2.334 172.994 175.510 -0.303 0.000 1.170 348 N CA -1.593 51.286 53.050 -0.285 0.000 0.807 348 N CB 2.028 40.350 38.487 -0.276 0.000 1.183 348 N HN 0.061 nan 8.380 nan 0.000 0.524 349 P HA -0.170 nan 4.420 nan 0.000 0.216 349 P C -0.203 176.945 177.300 -0.253 0.000 1.150 349 P CA 1.488 64.357 63.100 -0.385 0.000 0.843 349 P CB 0.154 31.364 31.700 -0.817 0.000 0.787 350 D N -0.464 119.728 120.400 -0.347 0.000 3.071 350 D HA 0.046 4.687 4.640 0.001 0.000 0.259 350 D C 1.323 177.497 176.300 -0.211 0.000 1.331 350 D CA -0.662 53.272 54.000 -0.111 0.000 0.861 350 D CB -0.433 40.427 40.800 0.100 0.000 1.059 350 D HN -0.004 nan 8.370 nan 0.000 0.486 351 L N 0.414 121.388 121.223 -0.416 0.000 2.046 351 L HA -0.155 4.186 4.340 0.001 0.000 0.208 351 L C 1.899 178.486 176.870 -0.472 0.000 1.077 351 L CA 1.406 55.879 54.840 -0.611 0.000 0.747 351 L CB -0.290 41.015 42.059 -1.256 0.000 0.896 351 L HN 0.068 nan 8.230 nan 0.000 0.432 352 V N -0.793 118.894 119.914 -0.380 0.000 2.255 352 V HA -0.357 3.764 4.120 0.001 0.000 0.247 352 V C 2.633 178.688 176.094 -0.065 0.000 1.051 352 V CA 2.145 64.307 62.300 -0.230 0.000 1.018 352 V CB -0.728 30.956 31.823 -0.231 0.000 0.641 352 V HN 0.438 nan 8.190 nan 0.000 0.445 353 M N -0.567 118.989 119.600 -0.072 0.000 2.159 353 M HA -0.135 4.345 4.480 0.001 0.000 0.263 353 M C 2.400 178.646 176.300 -0.089 0.000 1.063 353 M CA 1.742 57.003 55.300 -0.065 0.000 1.110 353 M CB -0.896 31.693 32.600 -0.018 0.000 1.374 353 M HN 0.345 nan 8.290 nan 0.000 0.411 354 R N -0.416 120.020 120.500 -0.107 0.000 2.090 354 R HA -0.011 4.329 4.340 0.001 0.000 0.228 354 R C 2.129 178.368 176.300 -0.102 0.000 1.110 354 R CA 1.060 57.096 56.100 -0.106 0.000 0.973 354 R CB -0.301 29.920 30.300 -0.131 0.000 0.869 354 R HN 0.373 nan 8.270 nan 0.000 0.440 355 I N 1.026 121.529 120.570 -0.112 0.000 2.315 355 I HA -0.265 3.906 4.170 0.001 0.000 0.248 355 I C 2.611 178.753 176.117 0.041 0.000 1.117 355 I CA 1.209 62.477 61.300 -0.054 0.000 1.404 355 I CB -0.201 37.733 38.000 -0.110 0.000 1.071 355 I HN 0.154 nan 8.210 nan 0.000 0.419 356 K N 1.403 121.794 120.400 -0.016 0.000 2.025 356 K HA -0.123 4.198 4.320 0.001 0.000 0.207 356 K C 1.994 178.453 176.600 -0.236 0.000 1.049 356 K CA 1.315 57.387 56.287 -0.358 0.000 0.933 356 K CB 0.019 32.035 32.500 -0.807 0.000 0.714 356 K HN 0.259 nan 8.250 nan 0.000 0.438 357 L N 0.413 121.541 121.223 -0.159 0.000 2.492 357 L HA 0.040 4.380 4.340 0.001 0.000 0.223 357 L C 0.447 177.275 176.870 -0.071 0.000 1.132 357 L CA -0.005 54.768 54.840 -0.112 0.000 0.850 357 L CB -0.404 41.602 42.059 -0.089 0.000 0.966 357 L HN 0.363 nan 8.230 nan 0.000 0.454 358 N N 0.425 119.089 118.700 -0.060 0.000 2.756 358 N HA -0.170 4.571 4.740 0.001 0.000 0.248 358 N C -0.199 175.287 175.510 -0.040 0.000 1.062 358 N CA 0.662 53.689 53.050 -0.039 0.000 0.696 358 N CB -0.782 37.691 38.487 -0.024 0.000 0.946 358 N HN 0.403 nan 8.380 nan 0.000 0.548 359 A N 0.231 123.021 122.820 -0.050 0.000 2.304 359 A HA 0.687 5.007 4.320 0.001 0.000 0.271 359 A C -1.965 175.594 177.584 -0.042 0.000 1.091 359 A CA -0.974 51.038 52.037 -0.042 0.000 0.812 359 A CB 0.307 19.281 19.000 -0.042 0.000 1.056 359 A HN 0.305 nan 8.150 nan 0.000 0.489 360 P HA 0.284 nan 4.420 nan 0.000 0.269 360 P C -0.845 176.432 177.300 -0.039 0.000 1.209 360 P CA 0.174 63.257 63.100 -0.029 0.000 0.776 360 P CB 0.358 32.047 31.700 -0.018 0.000 0.876 361 L N 2.549 123.747 121.223 -0.042 0.000 2.352 361 L HA 0.410 4.750 4.340 0.001 0.000 0.269 361 L C 0.664 177.514 176.870 -0.034 0.000 1.034 361 L CA -0.910 53.898 54.840 -0.053 0.000 0.806 361 L CB 0.832 42.855 42.059 -0.059 0.000 1.244 361 L HN 0.324 nan 8.230 nan 0.000 0.447 362 N N 1.171 119.852 118.700 -0.032 0.000 2.508 362 N HA 0.226 4.967 4.740 0.001 0.000 0.285 362 N C -0.688 174.820 175.510 -0.004 0.000 1.144 362 N CA -0.610 52.441 53.050 0.002 0.000 0.978 362 N CB 1.354 39.868 38.487 0.044 0.000 1.180 362 N HN 0.485 nan 8.380 nan 0.000 0.484 363 K N 0.145 120.542 120.400 -0.004 0.000 2.168 363 K HA 0.228 4.548 4.320 0.001 0.000 0.258 363 K C -0.773 175.860 176.600 0.054 0.000 1.010 363 K CA -0.292 55.938 56.287 -0.095 0.000 0.929 363 K CB 0.250 32.693 32.500 -0.096 0.000 0.998 363 K HN 0.518 nan 8.250 nan 0.000 0.479 364 Y N -1.063 119.316 120.300 0.132 0.000 2.429 364 Y HA 0.395 4.945 4.550 0.001 0.000 0.342 364 Y C -0.902 175.147 175.900 0.247 0.000 1.004 364 Y CA -1.830 56.409 58.100 0.232 0.000 1.075 364 Y CB 1.022 39.603 38.460 0.202 0.000 1.214 364 Y HN 0.662 nan 8.280 nan 0.000 0.455 365 N N 2.575 121.593 118.700 0.529 0.000 2.485 365 N HA 0.192 4.932 4.740 0.001 0.000 0.243 365 N C 0.875 176.333 175.510 -0.086 0.000 0.987 365 N CA -0.558 52.610 53.050 0.197 0.000 0.940 365 N CB 0.842 39.420 38.487 0.152 0.000 1.122 365 N HN 0.867 nan 8.380 nan 0.000 0.509 366 R N 3.202 123.401 120.500 -0.501 0.000 2.127 366 R HA -0.102 4.239 4.340 0.001 0.000 0.238 366 R C 0.952 176.876 176.300 -0.628 0.000 1.134 366 R CA 1.518 56.793 56.100 -1.375 0.000 0.975 366 R CB 0.149 29.992 30.300 -0.761 0.000 0.865 366 R HN 0.514 nan 8.270 nan 0.000 0.447 367 K N -0.484 119.783 120.400 -0.222 0.000 2.211 367 K HA -0.096 4.224 4.320 0.001 0.000 0.204 367 K C 1.291 177.906 176.600 0.025 0.000 1.047 367 K CA 1.768 58.026 56.287 -0.048 0.000 0.935 367 K CB 0.046 32.542 32.500 -0.008 0.000 0.728 367 K HN 0.371 nan 8.250 nan 0.000 0.452 368 T N -2.039 112.547 114.554 0.053 0.000 3.214 368 T HA 0.159 4.510 4.350 0.001 0.000 0.264 368 T C 0.952 175.800 174.700 0.248 0.000 1.012 368 T CA -0.448 61.734 62.100 0.137 0.000 0.901 368 T CB -0.103 68.841 68.868 0.127 0.000 1.070 368 T HN -0.133 nan 8.240 nan 0.000 0.561 369 F N 1.478 121.375 119.950 -0.088 0.000 2.206 369 F HA 0.203 4.730 4.527 0.001 0.000 0.298 369 F C 0.962 176.484 175.800 -0.464 0.000 1.090 369 F CA -0.092 57.689 58.000 -0.365 0.000 1.323 369 F CB -0.405 38.167 39.000 -0.714 0.000 1.028 369 F HN 0.333 nan 8.300 nan 0.000 0.492 370 Y N -0.804 119.685 120.300 0.314 0.000 2.682 370 Y HA 0.209 4.759 4.550 0.001 0.000 0.251 370 Y C 1.044 177.030 175.900 0.145 0.000 1.172 370 Y CA -0.994 57.241 58.100 0.225 0.000 1.186 370 Y CB -1.046 37.607 38.460 0.321 0.000 1.216 370 Y HN -0.203 nan 8.280 nan 0.000 0.540 371 T N -2.458 112.210 114.554 0.190 0.000 2.788 371 T HA 0.145 4.496 4.350 0.001 0.000 0.287 371 T C 0.837 175.553 174.700 0.026 0.000 1.007 371 T CA -0.439 61.727 62.100 0.110 0.000 1.005 371 T CB 1.108 70.020 68.868 0.074 0.000 1.012 371 T HN 0.010 nan 8.240 nan 0.000 0.530 372 Q N -0.378 119.421 119.800 -0.003 0.000 2.319 372 Q HA 0.228 4.568 4.340 0.001 0.000 0.202 372 Q C 0.353 176.279 176.000 -0.125 0.000 0.896 372 Q CA 0.069 55.822 55.803 -0.084 0.000 0.942 372 Q CB 0.059 28.738 28.738 -0.099 0.000 1.083 372 Q HN 0.706 nan 8.270 nan 0.000 0.510 373 D N 1.607 121.957 120.400 -0.083 0.000 2.450 373 D HA -0.043 4.598 4.640 0.001 0.000 0.247 373 D C -1.484 174.762 176.300 -0.090 0.000 1.162 373 D CA -1.088 52.873 54.000 -0.064 0.000 0.879 373 D CB 1.284 42.070 40.800 -0.023 0.000 1.163 373 D HN 0.069 nan 8.370 nan 0.000 0.472 374 P HA -0.073 nan 4.420 nan 0.000 0.230 374 P C 1.038 178.424 177.300 0.144 0.000 1.158 374 P CA 0.436 63.532 63.100 -0.007 0.000 0.769 374 P CB 0.716 32.418 31.700 0.004 0.000 0.807 375 V N -1.091 118.884 119.914 0.103 0.000 3.054 375 V HA 0.035 4.156 4.120 0.001 0.000 0.227 375 V C 1.049 177.207 176.094 0.107 0.000 1.252 375 V CA 0.185 62.561 62.300 0.127 0.000 1.279 375 V CB -0.160 31.705 31.823 0.070 0.000 1.118 375 V HN -0.258 nan 8.190 nan 0.000 0.504 376 V N 2.702 122.644 119.914 0.047 0.000 2.539 376 V HA 0.318 4.438 4.120 0.001 0.000 0.300 376 V C 1.564 177.672 176.094 0.024 0.000 1.019 376 V CA 1.488 63.792 62.300 0.007 0.000 1.160 376 V CB -0.541 31.280 31.823 -0.003 0.000 0.901 376 V HN 0.863 nan 8.190 nan 0.000 0.481 377 G N 3.494 112.254 108.800 -0.066 0.000 2.175 377 G HA2 -0.361 3.600 3.960 0.001 0.000 0.265 377 G HA3 -0.361 3.600 3.960 0.001 0.000 0.265 377 G C 0.329 175.387 174.900 0.264 0.000 0.979 377 G CA 0.992 46.072 45.100 -0.034 0.000 0.663 377 G HN 0.894 nan 8.290 nan 0.000 0.533 378 Y N 0.110 120.445 120.300 0.059 0.000 2.817 378 Y HA 0.246 4.797 4.550 0.001 0.000 0.257 378 Y C 2.585 178.626 175.900 0.234 0.000 1.055 378 Y CA 2.160 60.327 58.100 0.110 0.000 1.319 378 Y CB 0.167 38.607 38.460 -0.034 0.000 1.481 378 Y HN 0.446 nan 8.280 nan 0.000 0.471 379 T N -2.617 112.040 114.554 0.171 0.000 3.040 379 T HA 0.123 4.474 4.350 0.001 0.000 0.266 379 T C 0.471 175.240 174.700 0.114 0.000 1.005 379 T CA 0.432 62.591 62.100 0.099 0.000 0.906 379 T CB -0.141 68.776 68.868 0.082 0.000 1.082 379 T HN 0.331 nan 8.240 nan 0.000 0.531 380 D N 0.006 120.444 120.400 0.063 0.000 2.325 380 D HA 0.038 4.678 4.640 0.001 0.000 0.225 380 D C -0.417 175.874 176.300 -0.014 0.000 1.096 380 D CA -0.582 53.429 54.000 0.017 0.000 0.844 380 D CB -0.764 40.019 40.800 -0.029 0.000 0.925 380 D HN 0.379 nan 8.370 nan 0.000 0.513 381 Y N 2.307 122.630 120.300 0.037 0.000 2.393 381 Y HA 0.255 4.806 4.550 0.001 0.000 0.338 381 Y C -1.615 174.260 175.900 -0.041 0.000 1.029 381 Y CA -2.139 55.962 58.100 0.003 0.000 1.239 381 Y CB 0.579 39.029 38.460 -0.016 0.000 1.170 381 Y HN -0.016 nan 8.280 nan 0.000 0.515 382 P HA 0.111 nan 4.420 nan 0.000 0.274 382 P C -0.814 176.520 177.300 0.057 0.000 1.246 382 P CA -0.024 63.167 63.100 0.152 0.000 0.795 382 P CB 0.997 32.782 31.700 0.140 0.000 1.006 383 F N -0.809 119.168 119.950 0.045 0.000 2.403 383 F HA 0.330 4.858 4.527 0.002 0.000 0.326 383 F C 1.236 177.042 175.800 0.011 0.000 1.099 383 F CA -0.883 57.129 58.000 0.021 0.000 1.036 383 F CB -0.125 38.883 39.000 0.013 0.000 1.336 383 F HN 0.074 nan 8.300 nan 0.000 0.497 384 L N 1.214 122.559 121.223 0.204 0.000 2.499 384 L HA 0.196 4.536 4.340 0.001 0.000 0.281 384 L C 0.963 177.890 176.870 0.094 0.000 1.234 384 L CA -0.069 54.832 54.840 0.102 0.000 0.839 384 L CB -0.088 42.009 42.059 0.064 0.000 1.104 384 L HN 0.772 nan 8.230 nan 0.000 0.500 385 Q N 0.000 119.834 119.800 0.056 0.000 2.315 385 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 385 Q CA 0.000 55.827 55.803 0.041 0.000 1.022 385 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 385 Q HN 0.000 nan 8.270 nan 0.000 0.481