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 1bzj_1_A DATA FIRST_RESID 2 DATA SEQUENCE EMEKEFEQID KSGSWAAIYQ DIRHEASDFP CRVAKLPKNK NRNRYRDVSP DATA SEQUENCE FDHSRIKLHQ EDNDYINASL IKMEEAQRSY ILTQGPLPNT CGHFWEMVWE DATA SEQUENCE QKSRGVVMLN RVMEKGSLKC AQYWPQKEEK EMIFEDTNLK LTLISEDIKS DATA SEQUENCE YYTVRQLELE NLTTQETREI LHFHYTTWPD FGVPESPASF LNFLFKVRES DATA SEQUENCE GSLSPEHGPV VVHCSAGIGR SGTFCLADTC LLLMDKRKDP SSVDIKKVLL DATA SEQUENCE EMRKFRMGLI QTADQLRFSY LAVIEGAKFI MGDSSVQDQW KELSHED 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.681 176.600 0.135 0.000 1.382 2 E CA 0.000 56.452 56.400 0.086 0.000 0.976 2 E CB 0.000 29.743 29.700 0.071 0.000 0.812 3 M N 5.546 125.236 119.600 0.150 0.000 2.108 3 M HA -0.436 nan 4.480 nan 0.000 0.257 3 M C 1.119 177.625 176.300 0.343 0.000 1.071 3 M CA 4.481 59.940 55.300 0.265 0.000 1.093 3 M CB -0.270 32.401 32.600 0.118 0.000 1.345 3 M HN 0.859 9.209 8.290 0.100 0.000 0.403 4 E N -0.285 120.044 120.200 0.215 0.000 2.072 4 E HA -0.334 nan 4.350 nan 0.000 0.191 4 E C 1.953 178.691 176.600 0.230 0.000 0.985 4 E CA 3.020 59.547 56.400 0.211 0.000 0.801 4 E CB -0.015 29.753 29.700 0.114 0.000 0.750 4 E HN -0.275 8.526 8.360 0.150 -0.351 0.452 5 K N -1.798 118.698 120.400 0.161 0.000 2.097 5 K HA -0.296 nan 4.320 nan 0.000 0.205 5 K C 2.111 178.781 176.600 0.117 0.000 1.050 5 K CA 2.917 59.277 56.287 0.120 0.000 0.938 5 K CB -0.521 32.026 32.500 0.079 0.000 0.718 5 K HN -0.514 8.045 8.250 0.140 -0.226 0.442 6 E N 0.258 120.546 120.200 0.146 0.000 2.077 6 E HA -0.329 nan 4.350 nan 0.000 0.193 6 E C 1.946 178.572 176.600 0.045 0.000 0.989 6 E CA 2.798 59.255 56.400 0.095 0.000 0.800 6 E CB -0.020 29.788 29.700 0.180 0.000 0.746 6 E HN -0.291 8.168 8.360 0.175 0.006 0.452 7 F N 0.541 120.535 119.950 0.073 0.000 2.075 7 F HA -0.426 nan 4.527 nan 0.000 0.297 7 F C 1.725 177.559 175.800 0.058 0.000 1.113 7 F CA 3.871 61.923 58.000 0.086 0.000 1.218 7 F CB 0.255 39.394 39.000 0.232 0.000 0.984 7 F HN 0.219 8.587 8.300 0.429 0.189 0.472 8 E N -1.566 118.753 120.200 0.198 0.000 2.118 8 E HA -0.534 nan 4.350 nan 0.000 0.195 8 E C 2.237 178.793 176.600 -0.073 0.000 0.992 8 E CA 3.221 59.668 56.400 0.080 0.000 0.804 8 E CB -0.483 29.299 29.700 0.135 0.000 0.741 8 E HN -0.229 8.331 8.360 0.334 0.000 0.458 9 Q N 0.413 120.159 119.800 -0.091 0.000 2.020 9 Q HA -0.277 nan 4.340 nan 0.000 0.202 9 Q C 2.430 178.273 176.000 -0.262 0.000 0.982 9 Q CA 3.304 59.024 55.803 -0.139 0.000 0.838 9 Q CB -0.050 28.619 28.738 -0.115 0.000 0.899 9 Q HN -0.211 7.950 8.270 -0.036 0.088 0.423 10 I N -0.357 119.950 120.570 -0.439 0.000 2.226 10 I HA -0.579 nan 4.170 nan 0.000 0.245 10 I C 2.149 177.876 176.117 -0.650 0.000 1.100 10 I CA 3.910 64.770 61.300 -0.734 0.000 1.374 10 I CB -0.323 36.815 38.000 -1.437 0.000 1.057 10 I HN 0.126 8.088 8.210 -0.413 0.000 0.413 11 D N -0.776 119.331 120.400 -0.487 0.000 2.117 11 D HA -0.222 nan 4.640 nan 0.000 0.197 11 D C 2.088 178.308 176.300 -0.133 0.000 0.987 11 D CA 3.120 56.993 54.000 -0.212 0.000 0.829 11 D CB -0.022 40.615 40.800 -0.272 0.000 0.961 11 D HN -0.030 8.011 8.370 -0.531 0.011 0.460 12 K N -1.167 119.151 120.400 -0.136 0.000 2.057 12 K HA -0.184 nan 4.320 nan 0.000 0.207 12 K C 1.786 178.331 176.600 -0.091 0.000 1.049 12 K CA 2.426 58.663 56.287 -0.083 0.000 0.931 12 K CB 0.360 32.818 32.500 -0.069 0.000 0.714 12 K HN -0.250 7.796 8.250 -0.164 0.105 0.440 13 S N -3.237 112.380 115.700 -0.139 0.000 2.527 13 S HA -0.052 nan 4.470 nan 0.000 0.222 13 S C 0.487 175.014 174.600 -0.121 0.000 0.985 13 S CA 0.546 58.669 58.200 -0.128 0.000 0.921 13 S CB 0.760 63.865 63.200 -0.159 0.000 0.772 13 S HN -0.345 7.854 8.310 -0.185 0.000 0.529 14 G N 2.250 110.971 108.800 -0.131 0.000 2.323 14 G HA2 -0.327 nan 3.960 nan 0.000 0.292 14 G HA3 -0.327 nan 3.960 nan 0.000 0.292 14 G C -0.377 174.472 174.900 -0.084 0.000 1.040 14 G CA 0.692 45.753 45.100 -0.064 0.000 0.942 14 G HN -0.273 7.743 8.290 -0.162 0.176 0.506 15 S N -4.165 111.405 115.700 -0.217 0.000 2.588 15 S HA 0.246 nan 4.470 nan 0.000 0.245 15 S C 1.243 175.725 174.600 -0.197 0.000 1.021 15 S CA -1.702 56.387 58.200 -0.184 0.000 1.006 15 S CB 0.856 63.933 63.200 -0.204 0.000 0.830 15 S HN -0.630 7.469 8.310 -0.352 0.000 0.468 16 W N 1.635 122.890 121.300 -0.076 0.000 2.363 16 W HA -0.417 nan 4.660 nan 0.000 0.296 16 W C 1.142 177.684 176.519 0.037 0.000 1.212 16 W CA 4.351 61.664 57.345 -0.054 0.000 1.260 16 W CB -0.354 29.055 29.460 -0.085 0.000 1.131 16 W HN 0.083 8.205 8.180 0.010 0.064 0.530 17 A N -2.046 120.917 122.820 0.239 0.000 1.898 17 A HA -0.347 nan 4.320 nan 0.000 0.216 17 A C 1.706 179.388 177.584 0.163 0.000 1.181 17 A CA 3.154 55.318 52.037 0.212 0.000 0.620 17 A CB -1.241 17.840 19.000 0.136 0.000 0.819 17 A HN 0.248 8.502 8.150 0.198 0.015 0.442 18 A N -0.837 122.027 122.820 0.074 0.000 1.873 18 A HA -0.219 nan 4.320 nan 0.000 0.215 18 A C 2.274 179.875 177.584 0.028 0.000 1.186 18 A CA 2.842 54.891 52.037 0.020 0.000 0.616 18 A CB -0.737 18.244 19.000 -0.032 0.000 0.823 18 A HN -0.698 7.395 8.150 0.048 0.086 0.442 19 I N -1.135 119.451 120.570 0.026 0.000 2.118 19 I HA -0.493 nan 4.170 nan 0.000 0.241 19 I C 1.767 177.981 176.117 0.162 0.000 1.070 19 I CA 2.929 64.257 61.300 0.047 0.000 1.327 19 I CB -1.487 36.498 38.000 -0.024 0.000 1.034 19 I HN -0.133 8.071 8.210 -0.010 0.000 0.405 20 Y N 0.271 120.651 120.300 0.134 0.000 2.181 20 Y HA -0.565 nan 4.550 nan 0.000 0.288 20 Y C 2.087 178.053 175.900 0.110 0.000 1.146 20 Y CA 3.803 61.994 58.100 0.152 0.000 1.164 20 Y CB -0.377 38.185 38.460 0.171 0.000 0.982 20 Y HN 0.112 8.621 8.280 0.381 0.000 0.515 21 Q N -2.086 117.684 119.800 -0.051 0.000 2.124 21 Q HA -0.379 nan 4.340 nan 0.000 0.202 21 Q C 2.476 178.425 176.000 -0.084 0.000 0.977 21 Q CA 2.879 58.606 55.803 -0.126 0.000 0.850 21 Q CB -0.651 28.075 28.738 -0.021 0.000 0.901 21 Q HN -0.194 8.073 8.270 0.113 0.071 0.429 22 D N 0.564 120.944 120.400 -0.034 0.000 2.117 22 D HA -0.197 nan 4.640 nan 0.000 0.198 22 D C 2.274 178.596 176.300 0.038 0.000 0.982 22 D CA 3.098 57.098 54.000 -0.000 0.000 0.828 22 D CB -0.068 40.727 40.800 -0.008 0.000 0.967 22 D HN -0.261 8.000 8.370 -0.011 0.102 0.464 23 I N -0.225 120.348 120.570 0.005 0.000 2.208 23 I HA -0.620 nan 4.170 nan 0.000 0.245 23 I C 2.007 178.106 176.117 -0.031 0.000 1.097 23 I CA 3.877 65.188 61.300 0.019 0.000 1.363 23 I CB -0.209 37.831 38.000 0.066 0.000 1.051 23 I HN -0.413 7.799 8.210 0.004 0.000 0.413 24 R N -2.916 117.499 120.500 -0.141 0.000 2.096 24 R HA -0.365 nan 4.340 nan 0.000 0.235 24 R C 2.392 178.669 176.300 -0.038 0.000 1.127 24 R CA 2.915 58.938 56.100 -0.128 0.000 0.968 24 R CB -0.482 29.683 30.300 -0.225 0.000 0.861 24 R HN -0.503 7.619 8.270 -0.246 0.000 0.440 25 H N -0.925 118.093 119.070 -0.088 0.000 2.423 25 H HA -0.099 nan 4.556 nan 0.000 0.297 25 H C 0.900 176.198 175.328 -0.050 0.000 1.075 25 H CA 2.567 58.578 56.048 -0.061 0.000 1.342 25 H CB 0.440 30.170 29.762 -0.053 0.000 1.395 25 H HN -0.458 7.759 8.280 0.078 0.110 0.530 26 E N -2.617 117.579 120.200 -0.006 0.000 2.400 26 E HA -0.052 nan 4.350 nan 0.000 0.195 26 E C -0.434 176.122 176.600 -0.073 0.000 1.012 26 E CA -0.082 56.292 56.400 -0.044 0.000 0.875 26 E CB 0.347 30.076 29.700 0.048 0.000 0.859 26 E HN -0.636 7.627 8.360 0.065 0.136 0.498 27 A N -0.568 122.222 122.820 -0.050 0.000 2.587 27 A HA -0.161 nan 4.320 nan 0.000 0.233 27 A C 0.311 177.837 177.584 -0.095 0.000 1.049 27 A CA 0.635 52.657 52.037 -0.026 0.000 0.754 27 A CB 0.510 19.517 19.000 0.011 0.000 0.977 27 A HN -0.428 7.550 8.150 -0.039 0.148 0.509 28 S N 0.942 116.583 115.700 -0.099 0.000 2.584 28 S HA -0.150 nan 4.470 nan 0.000 0.270 28 S C -1.518 172.837 174.600 -0.407 0.000 1.346 28 S CA 0.659 58.651 58.200 -0.347 0.000 1.018 28 S CB 0.628 63.621 63.200 -0.344 0.000 0.899 28 S HN 0.235 8.544 8.310 -0.001 0.000 0.542 29 D N 2.426 122.356 120.400 -0.784 0.000 2.575 29 D HA 0.166 nan 4.640 nan 0.000 0.250 29 D C -1.732 174.017 176.300 -0.918 0.000 1.279 29 D CA -0.357 53.304 54.000 -0.564 0.000 0.925 29 D CB 1.620 42.240 40.800 -0.300 0.000 1.261 29 D HN 0.041 7.796 8.370 -1.024 0.000 0.567 30 F N 2.704 122.309 119.950 -0.575 0.000 2.603 30 F HA 0.472 nan 4.527 nan 0.000 0.317 30 F C -1.931 173.782 175.800 -0.145 0.000 1.066 30 F CA -3.107 54.585 58.000 -0.513 0.000 0.941 30 F CB 1.232 39.719 39.000 -0.855 0.000 1.291 30 F HN -0.248 7.679 8.300 -0.621 0.000 0.472 31 P HA 0.135 nan 4.420 nan 0.000 0.269 31 P C -1.559 175.915 177.300 0.290 0.000 1.215 31 P CA -0.065 63.149 63.100 0.189 0.000 0.780 31 P CB 0.724 32.503 31.700 0.132 0.000 0.898 32 C N 2.131 121.569 119.300 0.229 0.000 3.025 32 C HA 0.291 nan 4.460 nan 0.000 0.240 32 C C 1.123 176.178 174.990 0.109 0.000 2.061 32 C CA -0.777 58.370 59.018 0.214 0.000 1.571 32 C CB -0.888 26.980 27.740 0.214 0.000 3.075 32 C HN 0.385 8.716 8.230 0.169 0.000 0.479 33 R N 2.722 123.275 120.500 0.090 0.000 2.097 33 R HA -0.348 nan 4.340 nan 0.000 0.236 33 R C 1.978 178.273 176.300 -0.009 0.000 1.135 33 R CA 4.207 60.330 56.100 0.039 0.000 0.934 33 R CB -0.135 30.190 30.300 0.042 0.000 0.846 33 R HN -0.009 8.544 8.270 0.114 -0.214 0.431 34 V N -1.698 118.214 119.914 -0.003 0.000 2.287 34 V HA -0.333 nan 4.120 nan 0.000 0.248 34 V C 2.107 178.011 176.094 -0.316 0.000 1.053 34 V CA 3.484 65.734 62.300 -0.084 0.000 1.027 34 V CB -0.797 31.042 31.823 0.027 0.000 0.646 34 V HN -0.378 8.100 8.190 0.047 -0.260 0.447 35 A N -1.147 121.522 122.820 -0.251 0.000 1.940 35 A HA -0.270 nan 4.320 nan 0.000 0.219 35 A C 1.350 178.752 177.584 -0.303 0.000 1.176 35 A CA 2.924 54.709 52.037 -0.420 0.000 0.631 35 A CB -0.574 18.447 19.000 0.036 0.000 0.814 35 A HN 0.059 8.192 8.150 -0.028 0.000 0.446 36 K N -5.134 115.178 120.400 -0.146 0.000 2.444 36 K HA -0.037 nan 4.320 nan 0.000 0.193 36 K C -0.155 176.387 176.600 -0.097 0.000 1.024 36 K CA -1.263 54.972 56.287 -0.088 0.000 1.077 36 K CB -0.201 32.284 32.500 -0.024 0.000 0.833 36 K HN -0.642 7.427 8.250 -0.096 0.123 0.517 37 L N 1.579 122.715 121.223 -0.145 0.000 2.453 37 L HA 0.117 nan 4.340 nan 0.000 0.272 37 L C -0.459 176.351 176.870 -0.100 0.000 1.182 37 L CA -1.256 53.518 54.840 -0.110 0.000 0.858 37 L CB -0.911 41.072 42.059 -0.127 0.000 1.120 37 L HN -0.448 7.456 8.230 -0.211 0.200 0.474 38 P HA -0.238 nan 4.420 nan 0.000 0.216 38 P C 1.174 178.452 177.300 -0.038 0.000 1.154 38 P CA 3.020 66.097 63.100 -0.039 0.000 0.865 38 P CB -0.142 31.544 31.700 -0.023 0.000 0.789 39 K N -6.046 114.330 120.400 -0.041 0.000 2.442 39 K HA -0.226 nan 4.320 nan 0.000 0.198 39 K C 0.503 177.087 176.600 -0.028 0.000 1.042 39 K CA 2.184 58.457 56.287 -0.024 0.000 0.958 39 K CB -1.030 31.462 32.500 -0.015 0.000 0.766 39 K HN 0.195 8.419 8.250 -0.043 0.000 0.474 40 N N -2.116 116.532 118.700 -0.087 0.000 2.205 40 N HA 0.159 nan 4.740 nan 0.000 0.201 40 N C 0.834 176.309 175.510 -0.059 0.000 1.128 40 N CA -0.089 52.895 53.050 -0.111 0.000 0.867 40 N CB 0.678 38.897 38.487 -0.446 0.000 0.996 40 N HN -0.163 7.969 8.380 -0.113 0.180 0.503 41 K N 1.550 121.926 120.400 -0.041 0.000 2.063 41 K HA -0.341 nan 4.320 nan 0.000 0.208 41 K C 0.805 177.415 176.600 0.016 0.000 1.048 41 K CA 3.915 60.194 56.287 -0.014 0.000 0.928 41 K CB -0.128 32.366 32.500 -0.009 0.000 0.713 41 K HN -0.556 7.615 8.250 -0.043 0.054 0.442 42 N N -5.225 113.491 118.700 0.027 0.000 2.521 42 N HA -0.155 nan 4.740 nan 0.000 0.188 42 N C 0.731 176.279 175.510 0.064 0.000 1.146 42 N CA 1.332 54.404 53.050 0.037 0.000 0.893 42 N CB -1.130 37.379 38.487 0.037 0.000 0.975 42 N HN 0.207 8.594 8.380 0.023 0.007 0.451 43 R N -2.990 117.573 120.500 0.106 0.000 2.334 43 R HA 0.084 nan 4.340 nan 0.000 0.216 43 R C -1.273 175.123 176.300 0.161 0.000 0.905 43 R CA -0.018 56.185 56.100 0.171 0.000 1.064 43 R CB 0.590 31.072 30.300 0.303 0.000 1.046 43 R HN -0.442 7.679 8.270 0.093 0.205 0.508 44 N N -1.283 117.476 118.700 0.099 0.000 2.372 44 N HA 0.145 nan 4.740 nan 0.000 0.285 44 N C -0.817 174.667 175.510 -0.043 0.000 1.008 44 N CA -0.794 52.294 53.050 0.064 0.000 0.880 44 N CB 1.863 40.403 38.487 0.088 0.000 1.239 44 N HN -0.736 7.515 8.380 0.071 0.171 0.484 45 R N 4.282 124.693 120.500 -0.148 0.000 2.062 45 R HA -0.136 nan 4.340 nan 0.000 0.226 45 R C -0.306 175.682 176.300 -0.520 0.000 1.125 45 R CA 2.304 58.164 56.100 -0.400 0.000 0.966 45 R CB 0.564 30.499 30.300 -0.608 0.000 0.861 45 R HN 0.366 8.673 8.270 -0.112 -0.104 0.433 46 Y N -3.808 116.514 120.300 0.037 0.000 2.364 46 Y HA 0.170 nan 4.550 nan 0.000 0.340 46 Y C 0.727 176.651 175.900 0.040 0.000 0.975 46 Y CA -2.283 55.841 58.100 0.040 0.000 1.089 46 Y CB 1.202 39.688 38.460 0.042 0.000 1.192 46 Y HN -0.267 7.959 8.280 -0.091 0.000 0.454 47 R N 2.989 123.604 120.500 0.192 0.000 2.096 47 R HA -0.386 nan 4.340 nan 0.000 0.240 47 R C 0.064 176.431 176.300 0.111 0.000 1.139 47 R CA 3.083 59.253 56.100 0.118 0.000 0.952 47 R CB 0.050 30.407 30.300 0.096 0.000 0.854 47 R HN 0.570 8.973 8.270 0.222 0.000 0.436 48 D N -4.659 115.816 120.400 0.124 0.000 2.325 48 D HA 0.054 nan 4.640 nan 0.000 0.225 48 D C -0.393 175.963 176.300 0.093 0.000 1.096 48 D CA 0.308 54.364 54.000 0.093 0.000 0.844 48 D CB -0.182 40.660 40.800 0.070 0.000 0.925 48 D HN -0.038 8.422 8.370 0.151 0.000 0.513 49 V N 1.108 121.097 119.914 0.126 0.000 2.325 49 V HA 0.221 nan 4.120 nan 0.000 0.280 49 V C -1.786 174.359 176.094 0.084 0.000 1.016 49 V CA -1.038 61.322 62.300 0.100 0.000 0.818 49 V CB -0.327 31.590 31.823 0.157 0.000 1.019 49 V HN -0.750 7.366 8.190 0.161 0.170 0.434 50 S N 6.922 122.643 115.700 0.036 0.000 2.599 50 S HA 0.609 nan 4.470 nan 0.000 0.287 50 S C -2.864 171.712 174.600 -0.040 0.000 1.105 50 S CA -2.801 55.432 58.200 0.054 0.000 0.899 50 S CB 2.074 65.327 63.200 0.088 0.000 1.100 50 S HN -0.560 7.751 8.310 0.003 0.000 0.482 51 P HA 0.166 nan 4.420 nan 0.000 0.284 51 P C -1.592 175.733 177.300 0.041 0.000 1.253 51 P CA -0.671 62.392 63.100 -0.061 0.000 0.800 51 P CB 0.697 32.399 31.700 0.004 0.000 0.961 52 F N 0.706 120.700 119.950 0.073 0.000 2.471 52 F HA -0.157 nan 4.527 nan 0.000 0.353 52 F C 1.189 177.009 175.800 0.034 0.000 1.113 52 F CA -0.261 57.795 58.000 0.094 0.000 1.262 52 F CB 0.229 39.286 39.000 0.095 0.000 1.146 52 F HN 0.204 8.391 8.300 -0.188 0.000 0.578 53 D N 3.282 123.860 120.400 0.298 0.000 2.144 53 D HA -0.347 nan 4.640 nan 0.000 0.199 53 D C 1.387 177.769 176.300 0.138 0.000 0.984 53 D CA 3.565 57.676 54.000 0.185 0.000 0.834 53 D CB -0.140 40.756 40.800 0.160 0.000 0.955 53 D HN 0.358 8.941 8.370 0.355 0.000 0.465 54 H N -5.369 113.742 119.070 0.069 0.000 2.457 54 H HA -0.116 nan 4.556 nan 0.000 0.294 54 H C 0.500 175.864 175.328 0.060 0.000 1.064 54 H CA 1.541 57.584 56.048 -0.008 0.000 1.330 54 H CB -0.046 29.601 29.762 -0.192 0.000 1.395 54 H HN 0.165 8.604 8.280 0.279 0.008 0.541 55 S N -2.278 113.178 115.700 -0.407 0.000 2.603 55 S HA 0.155 nan 4.470 nan 0.000 0.232 55 S C 0.092 174.662 174.600 -0.050 0.000 1.016 55 S CA -1.108 56.976 58.200 -0.194 0.000 0.976 55 S CB 1.834 64.915 63.200 -0.199 0.000 0.921 55 S HN -0.620 7.438 8.310 -0.367 0.032 0.516 56 R N 2.120 122.606 120.500 -0.022 0.000 2.734 56 R HA 0.053 nan 4.340 nan 0.000 0.266 56 R C -0.504 175.778 176.300 -0.030 0.000 1.044 56 R CA 0.296 56.387 56.100 -0.015 0.000 1.128 56 R CB 0.553 30.878 30.300 0.041 0.000 1.010 56 R HN -0.513 7.752 8.270 -0.007 0.000 0.461 57 I N 3.468 123.990 120.570 -0.080 0.000 2.325 57 I HA -0.032 nan 4.170 nan 0.000 0.291 57 I C -1.052 175.013 176.117 -0.087 0.000 1.019 57 I CA -1.535 59.715 61.300 -0.083 0.000 1.302 57 I CB -0.539 37.381 38.000 -0.134 0.000 1.401 57 I HN 0.048 8.188 8.210 -0.117 0.000 0.485 58 K N 5.814 126.204 120.400 -0.017 0.000 2.172 58 K HA 0.171 nan 4.320 nan 0.000 0.276 58 K C -0.715 175.897 176.600 0.020 0.000 1.013 58 K CA -1.064 55.231 56.287 0.014 0.000 0.913 58 K CB 0.879 33.423 32.500 0.074 0.000 1.055 58 K HN 0.108 8.365 8.250 0.012 0.000 0.461 59 L N 2.325 123.532 121.223 -0.027 0.000 2.349 59 L HA 0.074 nan 4.340 nan 0.000 0.275 59 L C 0.334 177.265 176.870 0.101 0.000 1.115 59 L CA -0.866 53.939 54.840 -0.058 0.000 0.820 59 L CB 0.740 42.735 42.059 -0.107 0.000 1.135 59 L HN 0.487 8.567 8.230 -0.045 0.123 0.445 60 H N 4.152 123.224 119.070 0.003 0.000 3.195 60 H HA -0.073 nan 4.556 nan 0.000 0.241 60 H C -1.361 173.980 175.328 0.021 0.000 1.823 60 H CA -0.304 55.755 56.048 0.018 0.000 1.466 60 H CB -1.897 27.888 29.762 0.039 0.000 1.819 60 H HN 0.061 8.718 8.280 -0.159 -0.473 0.575 61 Q N 1.872 121.743 119.800 0.119 0.000 2.309 61 Q HA 0.280 nan 4.340 nan 0.000 0.273 61 Q C -0.691 175.339 176.000 0.051 0.000 1.040 61 Q CA -1.347 54.499 55.803 0.072 0.000 0.834 61 Q CB 1.895 30.663 28.738 0.050 0.000 1.345 61 Q HN -0.489 7.801 8.270 0.109 0.045 0.414 62 E N 3.728 123.954 120.200 0.043 0.000 2.338 62 E HA -0.188 nan 4.350 nan 0.000 0.197 62 E C 0.035 176.652 176.600 0.029 0.000 1.007 62 E CA 1.522 57.941 56.400 0.032 0.000 0.849 62 E CB 0.134 29.851 29.700 0.028 0.000 0.774 62 E HN 0.517 8.905 8.360 0.046 0.000 0.506 63 D N -1.013 119.405 120.400 0.030 0.000 2.087 63 D HA -0.094 nan 4.640 nan 0.000 0.203 63 D C -0.598 175.716 176.300 0.022 0.000 0.976 63 D CA 1.720 55.737 54.000 0.028 0.000 0.865 63 D CB 0.657 41.477 40.800 0.034 0.000 1.005 63 D HN -0.236 8.108 8.370 0.034 0.046 0.449 64 N N -1.475 117.231 118.700 0.011 0.000 2.533 64 N HA 0.176 nan 4.740 nan 0.000 0.289 64 N C -1.330 174.169 175.510 -0.019 0.000 1.103 64 N CA -0.338 52.716 53.050 0.007 0.000 0.877 64 N CB 2.020 40.510 38.487 0.005 0.000 1.419 64 N HN -0.663 7.932 8.380 0.004 -0.213 0.517 65 D N 4.520 124.932 120.400 0.019 0.000 2.319 65 D HA -0.111 nan 4.640 nan 0.000 0.230 65 D C -0.459 175.839 176.300 -0.003 0.000 1.094 65 D CA -0.625 53.380 54.000 0.007 0.000 0.856 65 D CB -0.636 40.191 40.800 0.045 0.000 0.915 65 D HN 0.314 8.708 8.370 0.041 0.000 0.517 66 Y N 1.293 121.529 120.300 -0.107 0.000 2.304 66 Y HA 0.114 nan 4.550 nan 0.000 0.328 66 Y C -2.036 173.782 175.900 -0.137 0.000 1.123 66 Y CA 1.119 59.161 58.100 -0.097 0.000 1.218 66 Y CB 1.594 40.017 38.460 -0.062 0.000 1.207 66 Y HN -0.458 8.085 8.280 0.100 -0.203 0.495 67 I N 5.789 125.697 120.570 -1.104 0.000 2.722 67 I HA 0.105 nan 4.170 nan 0.000 0.292 67 I C -2.746 172.763 176.117 -1.014 0.000 1.267 67 I CA -1.338 59.468 61.300 -0.823 0.000 1.036 67 I CB 3.327 41.091 38.000 -0.394 0.000 1.281 67 I HN 0.025 7.514 8.210 -1.202 0.000 0.423 68 N N 8.896 127.215 118.700 -0.635 0.000 2.549 68 N HA -0.035 nan 4.740 nan 0.000 0.267 68 N C -2.218 173.161 175.510 -0.217 0.000 1.182 68 N CA -0.255 52.610 53.050 -0.308 0.000 1.019 68 N CB -1.000 37.454 38.487 -0.054 0.000 1.380 68 N HN 0.495 8.618 8.380 -0.429 0.000 0.505 69 A N 3.613 126.296 122.820 -0.228 0.000 2.574 69 A HA 0.593 nan 4.320 nan 0.000 0.297 69 A C -2.225 175.286 177.584 -0.122 0.000 1.062 69 A CA -0.426 51.514 52.037 -0.162 0.000 0.686 69 A CB 3.510 22.390 19.000 -0.200 0.000 1.285 69 A HN -0.009 7.956 8.150 -0.280 0.017 0.403 70 S N -0.130 115.522 115.700 -0.079 0.000 2.542 70 S HA 0.872 nan 4.470 nan 0.000 0.293 70 S C -2.014 172.576 174.600 -0.018 0.000 1.089 70 S CA -1.407 56.769 58.200 -0.041 0.000 0.961 70 S CB 3.120 66.305 63.200 -0.025 0.000 1.062 70 S HN 0.685 8.953 8.310 -0.071 0.000 0.483 71 L N 4.133 125.354 121.223 -0.003 0.000 2.262 71 L HA 0.464 nan 4.340 nan 0.000 0.288 71 L C -1.363 175.462 176.870 -0.075 0.000 1.035 71 L CA -0.909 53.913 54.840 -0.030 0.000 0.820 71 L CB 1.320 43.354 42.059 -0.042 0.000 1.204 71 L HN 0.347 8.582 8.230 0.009 0.000 0.424 72 I N 8.586 129.106 120.570 -0.083 0.000 2.269 72 I HA 0.079 nan 4.170 nan 0.000 0.293 72 I C -1.633 174.256 176.117 -0.381 0.000 1.106 72 I CA -1.893 59.269 61.300 -0.230 0.000 1.248 72 I CB -1.716 36.321 38.000 0.061 0.000 1.444 72 I HN 0.955 9.168 8.210 0.006 0.000 0.497 73 K N 8.433 128.292 120.400 -0.901 0.000 2.257 73 K HA 0.202 nan 4.320 nan 0.000 0.270 73 K C -0.550 175.773 176.600 -0.462 0.000 1.098 73 K CA -0.835 55.120 56.287 -0.553 0.000 0.943 73 K CB 0.532 32.780 32.500 -0.420 0.000 1.316 73 K HN -0.079 7.170 8.250 -1.668 0.000 0.447 74 M N 7.582 127.063 119.600 -0.198 0.000 2.557 74 M HA 0.084 nan 4.480 nan 0.000 0.328 74 M C 0.299 176.585 176.300 -0.023 0.000 1.423 74 M CA -2.647 52.627 55.300 -0.044 0.000 1.418 74 M CB -2.515 30.119 32.600 0.058 0.000 1.381 74 M HN 0.339 8.533 8.290 -0.161 0.000 0.467 75 E N 5.370 125.579 120.200 0.014 0.000 2.033 75 E HA -0.408 nan 4.350 nan 0.000 0.199 75 E C 1.058 177.671 176.600 0.022 0.000 1.011 75 E CA 3.514 59.928 56.400 0.024 0.000 0.815 75 E CB -0.258 29.481 29.700 0.065 0.000 0.755 75 E HN -0.270 8.115 8.360 0.042 0.000 0.451 76 E N 0.599 120.823 120.200 0.041 0.000 2.085 76 E HA -0.246 nan 4.350 nan 0.000 0.194 76 E C 0.809 177.421 176.600 0.019 0.000 0.994 76 E CA 2.494 58.913 56.400 0.033 0.000 0.801 76 E CB -0.598 29.129 29.700 0.046 0.000 0.743 76 E HN 0.309 8.706 8.360 0.062 0.000 0.453 77 A N -3.442 119.390 122.820 0.020 0.000 2.123 77 A HA -0.110 nan 4.320 nan 0.000 0.214 77 A C -0.761 176.809 177.584 -0.023 0.000 1.152 77 A CA 0.485 52.527 52.037 0.007 0.000 0.728 77 A CB -0.290 18.726 19.000 0.026 0.000 0.814 77 A HN -0.078 8.091 8.150 0.032 0.000 0.464 78 Q N -5.729 114.051 119.800 -0.034 0.000 2.463 78 Q HA -0.482 nan 4.340 nan 0.000 0.299 78 Q C -1.118 174.818 176.000 -0.108 0.000 1.353 78 Q CA 0.873 56.640 55.803 -0.061 0.000 0.828 78 Q CB -2.304 26.405 28.738 -0.048 0.000 1.157 78 Q HN -0.187 7.912 8.270 -0.020 0.158 0.436 79 R N -1.822 118.587 120.500 -0.150 0.000 2.604 79 R HA 0.312 nan 4.340 nan 0.000 0.281 79 R C -2.620 173.449 176.300 -0.385 0.000 1.020 79 R CA -0.562 55.364 56.100 -0.289 0.000 0.899 79 R CB 3.734 33.831 30.300 -0.338 0.000 1.205 79 R HN -0.642 7.558 8.270 -0.117 0.000 0.450 80 S N 4.630 120.053 115.700 -0.462 0.000 2.566 80 S HA 0.822 nan 4.470 nan 0.000 0.298 80 S C -1.487 172.819 174.600 -0.490 0.000 1.083 80 S CA -0.853 57.126 58.200 -0.369 0.000 0.978 80 S CB 2.823 65.897 63.200 -0.210 0.000 1.073 80 S HN 0.260 8.316 8.310 -0.424 0.000 0.491 81 Y N -1.506 118.750 120.300 -0.073 0.000 2.588 81 Y HA 0.528 nan 4.550 nan 0.000 0.343 81 Y C -1.616 174.250 175.900 -0.056 0.000 1.065 81 Y CA -1.437 56.643 58.100 -0.033 0.000 1.038 81 Y CB 4.081 42.550 38.460 0.016 0.000 1.297 81 Y HN 0.383 8.710 8.280 0.078 0.000 0.467 82 I N 0.826 121.466 120.570 0.116 0.000 2.382 82 I HA 0.445 nan 4.170 nan 0.000 0.285 82 I C -1.472 174.657 176.117 0.020 0.000 1.007 82 I CA -0.853 60.456 61.300 0.015 0.000 1.142 82 I CB 1.370 39.328 38.000 -0.071 0.000 1.289 82 I HN 0.611 8.903 8.210 0.137 0.000 0.453 83 L N 7.661 128.891 121.223 0.012 0.000 2.275 83 L HA 0.647 nan 4.340 nan 0.000 0.288 83 L C -1.543 175.314 176.870 -0.023 0.000 1.046 83 L CA -0.889 53.953 54.840 0.002 0.000 0.805 83 L CB 0.332 42.388 42.059 -0.005 0.000 1.193 83 L HN 0.350 8.587 8.230 0.012 0.000 0.426 84 T N 4.158 118.713 114.554 0.001 0.000 2.883 84 T HA 0.642 nan 4.350 nan 0.000 0.296 84 T C -1.938 172.764 174.700 0.003 0.000 1.117 84 T CA -2.036 60.047 62.100 -0.029 0.000 1.006 84 T CB 3.033 71.859 68.868 -0.070 0.000 1.191 84 T HN 0.316 8.585 8.240 0.048 0.000 0.508 85 Q N 1.697 121.472 119.800 -0.041 0.000 2.396 85 Q HA 0.248 nan 4.340 nan 0.000 0.221 85 Q C 0.491 176.405 176.000 -0.144 0.000 1.025 85 Q CA -1.313 54.471 55.803 -0.031 0.000 0.946 85 Q CB 1.260 29.973 28.738 -0.042 0.000 1.224 85 Q HN -0.240 7.991 8.270 -0.066 0.000 0.539 86 G N -0.267 108.479 108.800 -0.090 0.000 2.343 86 G HA2 0.084 nan 3.960 nan 0.000 0.254 86 G HA3 0.084 nan 3.960 nan 0.000 0.254 86 G C -1.541 173.178 174.900 -0.302 0.000 1.277 86 G CA -1.788 43.180 45.100 -0.220 0.000 0.909 86 G HN 0.252 8.431 8.290 -0.002 0.110 0.502 87 P HA -0.051 nan 4.420 nan 0.000 0.265 87 P C -1.143 176.049 177.300 -0.181 0.000 1.187 87 P CA 0.279 63.150 63.100 -0.382 0.000 0.766 87 P CB 0.452 31.751 31.700 -0.668 0.000 0.820 88 L N 1.695 122.846 121.223 -0.120 0.000 2.454 88 L HA 0.263 nan 4.340 nan 0.000 0.256 88 L C 0.068 176.915 176.870 -0.040 0.000 1.136 88 L CA -2.137 52.661 54.840 -0.069 0.000 0.804 88 L CB -0.839 41.187 42.059 -0.055 0.000 1.181 88 L HN 0.477 8.635 8.230 -0.119 0.000 0.469 89 P HA -0.184 nan 4.420 nan 0.000 0.218 89 P C -0.027 177.272 177.300 -0.002 0.000 1.148 89 P CA 2.591 65.694 63.100 0.005 0.000 0.822 89 P CB 0.061 31.762 31.700 0.002 0.000 0.784 90 N N -6.926 111.761 118.700 -0.023 0.000 2.353 90 N HA -0.032 nan 4.740 nan 0.000 0.185 90 N C 0.393 175.809 175.510 -0.156 0.000 1.098 90 N CA 0.690 53.712 53.050 -0.046 0.000 0.872 90 N CB -0.352 38.134 38.487 -0.002 0.000 0.970 90 N HN 0.415 8.762 8.380 -0.019 0.021 0.467 91 T N -5.996 108.476 114.554 -0.136 0.000 3.132 91 T HA 0.408 nan 4.350 nan 0.000 0.274 91 T C 0.950 175.537 174.700 -0.188 0.000 1.011 91 T CA -0.110 61.870 62.100 -0.200 0.000 0.899 91 T CB 0.941 69.830 68.868 0.036 0.000 1.089 91 T HN -0.123 7.880 8.240 -0.079 0.190 0.543 92 C N 2.062 121.282 119.300 -0.132 0.000 2.440 92 C HA -0.200 nan 4.460 nan 0.000 0.278 92 C C 2.083 176.938 174.990 -0.225 0.000 1.295 92 C CA 4.111 63.075 59.018 -0.090 0.000 1.738 92 C CB -1.489 26.350 27.740 0.165 0.000 1.987 92 C HN -0.091 8.085 8.230 -0.089 0.000 0.492 93 G N -0.837 107.839 108.800 -0.206 0.000 2.408 93 G HA2 -0.310 nan 3.960 nan 0.000 0.217 93 G HA3 -0.310 nan 3.960 nan 0.000 0.217 93 G C 1.475 176.330 174.900 -0.075 0.000 1.150 93 G CA 2.283 47.268 45.100 -0.191 0.000 0.776 93 G HN 0.463 8.664 8.290 -0.148 0.000 0.542 94 H N 3.177 122.220 119.070 -0.044 0.000 2.357 94 H HA -0.286 nan 4.556 nan 0.000 0.301 94 H C 1.960 177.200 175.328 -0.147 0.000 1.082 94 H CA 1.829 57.832 56.048 -0.074 0.000 1.342 94 H CB -0.070 29.648 29.762 -0.073 0.000 1.389 94 H HN -0.425 7.529 8.280 -0.415 0.077 0.511 95 F N 1.469 121.268 119.950 -0.251 0.000 2.095 95 F HA -0.507 nan 4.527 nan 0.000 0.298 95 F C 0.973 176.458 175.800 -0.525 0.000 1.104 95 F CA 4.103 61.801 58.000 -0.504 0.000 1.232 95 F CB -0.033 38.484 39.000 -0.806 0.000 0.987 95 F HN -0.087 8.219 8.300 0.010 0.000 0.475 96 W N -3.642 117.595 121.300 -0.104 0.000 2.519 96 W HA -0.332 nan 4.660 nan 0.000 0.266 96 W C 2.046 178.524 176.519 -0.069 0.000 1.253 96 W CA 2.509 59.787 57.345 -0.112 0.000 1.274 96 W CB 0.030 29.377 29.460 -0.187 0.000 1.114 96 W HN -0.384 7.725 8.180 -0.119 0.000 0.596 97 E N 1.056 121.310 120.200 0.091 0.000 2.072 97 E HA -0.426 nan 4.350 nan 0.000 0.191 97 E C 1.842 178.441 176.600 -0.002 0.000 0.985 97 E CA 2.955 59.405 56.400 0.083 0.000 0.801 97 E CB -0.298 29.432 29.700 0.050 0.000 0.750 97 E HN -0.446 7.799 8.360 0.036 0.137 0.452 98 M N 0.209 119.715 119.600 -0.157 0.000 2.086 98 M HA -0.372 nan 4.480 nan 0.000 0.261 98 M C 1.964 178.122 176.300 -0.237 0.000 1.067 98 M CA 4.148 59.292 55.300 -0.260 0.000 1.116 98 M CB 0.106 32.477 32.600 -0.381 0.000 1.348 98 M HN -0.068 8.109 8.290 -0.188 0.000 0.407 99 V N -1.137 118.613 119.914 -0.273 0.000 2.332 99 V HA -0.454 nan 4.120 nan 0.000 0.248 99 V C 1.521 177.626 176.094 0.017 0.000 1.055 99 V CA 4.968 67.179 62.300 -0.148 0.000 1.038 99 V CB -1.168 30.632 31.823 -0.040 0.000 0.651 99 V HN -0.327 7.624 8.190 -0.399 0.000 0.450 100 W N -0.338 120.956 121.300 -0.010 0.000 2.352 100 W HA -0.454 nan 4.660 nan 0.000 0.322 100 W C 1.840 178.337 176.519 -0.036 0.000 1.208 100 W CA 3.628 60.981 57.345 0.013 0.000 1.286 100 W CB 0.211 29.695 29.460 0.039 0.000 1.167 100 W HN -0.154 8.208 8.180 0.303 0.000 0.469 101 E N -2.177 118.075 120.200 0.088 0.000 2.160 101 E HA -0.401 nan 4.350 nan 0.000 0.195 101 E C 2.221 178.745 176.600 -0.125 0.000 0.991 101 E CA 2.843 59.202 56.400 -0.068 0.000 0.810 101 E CB -0.224 29.242 29.700 -0.389 0.000 0.742 101 E HN -0.124 8.345 8.360 0.182 0.000 0.466 102 Q N -4.382 115.329 119.800 -0.149 0.000 2.425 102 Q HA 0.022 nan 4.340 nan 0.000 0.204 102 Q C -0.521 175.407 176.000 -0.120 0.000 0.933 102 Q CA -0.652 55.080 55.803 -0.118 0.000 0.939 102 Q CB 0.243 28.901 28.738 -0.133 0.000 1.044 102 Q HN -0.403 7.757 8.270 -0.153 0.019 0.513 103 K N -3.853 116.438 120.400 -0.181 0.000 3.129 103 K HA -0.366 nan 4.320 nan 0.000 0.273 103 K C -0.464 176.067 176.600 -0.115 0.000 1.123 103 K CA 0.590 56.757 56.287 -0.201 0.000 0.800 103 K CB -2.566 29.841 32.500 -0.155 0.000 1.238 103 K HN -0.092 7.835 8.250 -0.222 0.190 0.492 104 S N -0.372 115.266 115.700 -0.103 0.000 2.576 104 S HA -0.064 nan 4.470 nan 0.000 0.276 104 S C -0.582 173.985 174.600 -0.055 0.000 1.339 104 S CA 1.483 59.646 58.200 -0.061 0.000 1.039 104 S CB 0.525 63.684 63.200 -0.069 0.000 0.902 104 S HN -0.513 7.710 8.310 -0.122 0.014 0.516 105 R N 3.534 123.986 120.500 -0.080 0.000 2.195 105 R HA 0.134 nan 4.340 nan 0.000 0.197 105 R C -1.083 175.212 176.300 -0.009 0.000 0.990 105 R CA 1.075 57.087 56.100 -0.146 0.000 1.048 105 R CB 1.901 31.893 30.300 -0.512 0.000 0.997 105 R HN 0.467 8.699 8.270 -0.063 0.000 0.502 106 G N -4.055 104.777 108.800 0.054 0.000 2.519 106 G HA2 0.682 nan 3.960 nan 0.000 0.307 106 G HA3 0.682 nan 3.960 nan 0.000 0.307 106 G C -3.103 171.906 174.900 0.182 0.000 1.266 106 G CA -1.262 43.948 45.100 0.183 0.000 0.970 106 G HN -0.562 7.738 8.290 0.017 0.000 0.481 107 V N 2.018 122.077 119.914 0.242 0.000 2.482 107 V HA 0.589 nan 4.120 nan 0.000 0.295 107 V C -1.256 174.907 176.094 0.114 0.000 1.026 107 V CA -0.746 61.684 62.300 0.216 0.000 0.856 107 V CB 2.802 34.864 31.823 0.397 0.000 1.001 107 V HN 0.588 8.940 8.190 0.271 0.000 0.424 108 V N 8.324 128.251 119.914 0.021 0.000 2.333 108 V HA 0.573 nan 4.120 nan 0.000 0.274 108 V C -1.796 174.128 176.094 -0.284 0.000 1.028 108 V CA -1.261 60.971 62.300 -0.114 0.000 0.851 108 V CB 0.724 32.331 31.823 -0.360 0.000 1.000 108 V HN 1.030 9.239 8.190 0.031 0.000 0.456 109 M N 7.587 126.976 119.600 -0.351 0.000 2.061 109 M HA 0.554 nan 4.480 nan 0.000 0.346 109 M C -1.217 174.927 176.300 -0.259 0.000 1.112 109 M CA -0.905 54.047 55.300 -0.580 0.000 1.021 109 M CB 1.670 33.907 32.600 -0.605 0.000 1.530 109 M HN 0.928 8.952 8.290 -0.266 0.106 0.437 110 L N 4.696 125.703 121.223 -0.360 0.000 2.700 110 L HA -0.015 nan 4.340 nan 0.000 0.234 110 L C -1.930 174.836 176.870 -0.173 0.000 1.156 110 L CA -0.268 54.419 54.840 -0.255 0.000 0.946 110 L CB -1.169 40.581 42.059 -0.515 0.000 1.216 110 L HN 0.518 8.417 8.230 -0.552 0.000 0.493 111 N N -3.814 114.850 118.700 -0.061 0.000 2.761 111 N HA 0.200 nan 4.740 nan 0.000 0.283 111 N C -1.960 173.718 175.510 0.279 0.000 1.377 111 N CA -1.741 51.337 53.050 0.047 0.000 0.791 111 N CB 2.769 41.246 38.487 -0.016 0.000 1.540 111 N HN -0.714 7.524 8.380 -0.097 0.083 0.539 112 R N -2.076 118.577 120.500 0.256 0.000 2.787 112 R HA 0.314 nan 4.340 nan 0.000 0.271 112 R C 0.066 176.519 176.300 0.256 0.000 0.993 112 R CA -0.933 55.370 56.100 0.339 0.000 0.993 112 R CB 2.267 32.710 30.300 0.240 0.000 1.155 112 R HN -0.144 8.460 8.270 0.165 -0.235 0.486 113 V N 1.650 121.728 119.914 0.274 0.000 2.332 113 V HA -0.266 nan 4.120 nan 0.000 0.248 113 V C 0.644 176.816 176.094 0.130 0.000 1.055 113 V CA 3.452 65.865 62.300 0.188 0.000 1.038 113 V CB 0.270 32.171 31.823 0.130 0.000 0.651 113 V HN 0.471 8.870 8.190 0.348 0.000 0.450 114 M N -2.523 117.150 119.600 0.122 0.000 2.190 114 M HA 0.356 nan 4.480 nan 0.000 0.312 114 M C -1.596 174.763 176.300 0.098 0.000 0.990 114 M CA -0.450 54.907 55.300 0.094 0.000 0.927 114 M CB 2.146 34.788 32.600 0.070 0.000 1.571 114 M HN -0.575 7.794 8.290 0.140 0.005 0.427 115 E N 5.861 126.116 120.200 0.093 0.000 2.292 115 E HA 0.338 nan 4.350 nan 0.000 0.272 115 E C -1.470 175.179 176.600 0.082 0.000 0.881 115 E CA -0.748 55.705 56.400 0.089 0.000 0.754 115 E CB 2.593 32.347 29.700 0.090 0.000 1.201 115 E HN 0.691 9.106 8.360 0.092 0.000 0.425 116 K N 2.086 122.531 120.400 0.074 0.000 3.077 116 K HA -0.325 nan 4.320 nan 0.000 0.264 116 K C -0.597 176.039 176.600 0.061 0.000 1.008 116 K CA 0.908 57.235 56.287 0.067 0.000 0.740 116 K CB -2.078 30.467 32.500 0.075 0.000 1.273 116 K HN 0.855 9.148 8.250 0.073 0.000 0.477 117 G N -5.441 103.393 108.800 0.056 0.000 2.212 117 G HA2 -0.293 nan 3.960 nan 0.000 0.266 117 G HA3 -0.293 nan 3.960 nan 0.000 0.266 117 G C -0.535 174.396 174.900 0.052 0.000 0.978 117 G CA -0.013 45.116 45.100 0.049 0.000 0.632 117 G HN 0.085 8.391 8.290 0.057 0.018 0.537 118 S N 0.977 116.716 115.700 0.064 0.000 2.568 118 S HA 0.246 nan 4.470 nan 0.000 0.302 118 S C -1.311 173.333 174.600 0.074 0.000 1.082 118 S CA -1.253 56.989 58.200 0.069 0.000 1.009 118 S CB 2.694 65.947 63.200 0.087 0.000 1.069 118 S HN -0.179 7.991 8.310 0.071 0.183 0.500 119 L N 2.530 123.791 121.223 0.064 0.000 2.283 119 L HA 0.054 nan 4.340 nan 0.000 0.287 119 L C 0.113 177.025 176.870 0.071 0.000 1.073 119 L CA 0.116 54.993 54.840 0.061 0.000 0.822 119 L CB -0.158 41.924 42.059 0.038 0.000 1.186 119 L HN 0.450 8.714 8.230 0.056 0.000 0.436 120 K N 1.524 121.980 120.400 0.093 0.000 2.374 120 K HA 0.111 nan 4.320 nan 0.000 0.196 120 K C -1.179 175.476 176.600 0.092 0.000 1.023 120 K CA -1.074 55.280 56.287 0.112 0.000 1.103 120 K CB -0.388 32.192 32.500 0.133 0.000 0.848 120 K HN 0.451 8.761 8.250 0.100 0.000 0.528 121 C N -3.377 115.976 119.300 0.090 0.000 3.283 121 C HA 0.198 nan 4.460 nan 0.000 0.359 121 C C -1.491 173.560 174.990 0.101 0.000 1.160 121 C CA -1.053 58.026 59.018 0.102 0.000 1.232 121 C CB 2.474 30.341 27.740 0.211 0.000 1.571 121 C HN -0.858 7.369 8.230 0.086 0.055 0.522 122 A N 3.460 126.335 122.820 0.092 0.000 2.304 122 A HA 0.159 nan 4.320 nan 0.000 0.271 122 A C -0.763 176.888 177.584 0.112 0.000 1.091 122 A CA -0.506 51.577 52.037 0.077 0.000 0.812 122 A CB 1.451 20.486 19.000 0.059 0.000 1.056 122 A HN 0.379 8.566 8.150 0.062 0.000 0.489 123 Q N 2.174 121.943 119.800 -0.051 0.000 2.664 123 Q HA -0.083 nan 4.340 nan 0.000 0.223 123 Q C -0.742 175.153 176.000 -0.174 0.000 1.298 123 Q CA -0.478 55.124 55.803 -0.336 0.000 0.965 123 Q CB -1.591 26.908 28.738 -0.399 0.000 1.510 123 Q HN 0.387 8.628 8.270 -0.048 0.000 0.567 124 Y N 0.909 121.255 120.300 0.077 0.000 2.529 124 Y HA 0.053 nan 4.550 nan 0.000 0.290 124 Y C -1.745 174.510 175.900 0.592 0.000 1.177 124 Y CA -1.545 56.737 58.100 0.303 0.000 1.305 124 Y CB 0.020 38.540 38.460 0.099 0.000 1.047 124 Y HN -0.175 8.143 8.280 0.119 0.034 0.522 125 W N -3.602 117.566 121.300 -0.219 0.000 2.864 125 W HA 0.499 nan 4.660 nan 0.000 0.343 125 W C -2.813 173.619 176.519 -0.144 0.000 1.109 125 W CA -3.874 53.383 57.345 -0.148 0.000 1.192 125 W CB 1.654 30.869 29.460 -0.408 0.000 1.426 125 W HN -0.869 6.932 8.180 -0.527 0.063 0.529 126 P HA -0.040 nan 4.420 nan 0.000 0.276 126 P C -1.279 175.935 177.300 -0.143 0.000 1.235 126 P CA 0.001 63.009 63.100 -0.153 0.000 0.772 126 P CB 1.074 32.727 31.700 -0.079 0.000 0.871 127 Q N 1.191 120.864 119.800 -0.211 0.000 2.384 127 Q HA 0.003 nan 4.340 nan 0.000 0.207 127 Q C -0.619 175.353 176.000 -0.047 0.000 0.904 127 Q CA 0.769 56.501 55.803 -0.118 0.000 0.933 127 Q CB 0.930 29.560 28.738 -0.180 0.000 1.077 127 Q HN 0.444 8.572 8.270 -0.236 0.000 0.522 128 K N -0.620 119.743 120.400 -0.061 0.000 2.443 128 K HA 0.228 nan 4.320 nan 0.000 0.252 128 K C 0.204 176.780 176.600 -0.041 0.000 0.933 128 K CA -1.016 55.245 56.287 -0.043 0.000 0.792 128 K CB 2.037 34.506 32.500 -0.052 0.000 1.185 128 K HN -0.325 7.827 8.250 -0.087 0.046 0.425 129 E N 6.331 126.514 120.200 -0.027 0.000 2.209 129 E HA -0.357 nan 4.350 nan 0.000 0.196 129 E C -0.007 176.570 176.600 -0.038 0.000 0.993 129 E CA 2.841 59.224 56.400 -0.028 0.000 0.819 129 E CB -0.672 29.017 29.700 -0.018 0.000 0.745 129 E HN 0.714 9.063 8.360 -0.019 0.000 0.477 130 E N -3.131 117.046 120.200 -0.040 0.000 2.502 130 E HA -0.056 nan 4.350 nan 0.000 0.194 130 E C 0.431 176.997 176.600 -0.056 0.000 1.062 130 E CA 0.212 56.586 56.400 -0.043 0.000 0.867 130 E CB -0.535 29.142 29.700 -0.038 0.000 0.888 130 E HN -0.062 8.236 8.360 -0.037 0.039 0.510 131 K N 0.284 120.645 120.400 -0.066 0.000 2.800 131 K HA 0.282 nan 4.320 nan 0.000 0.185 131 K C -1.378 175.160 176.600 -0.103 0.000 1.082 131 K CA -1.084 55.152 56.287 -0.084 0.000 0.978 131 K CB 0.133 32.581 32.500 -0.088 0.000 1.364 131 K HN -0.264 7.753 8.250 -0.062 0.196 0.592 132 E N -0.521 119.616 120.200 -0.104 0.000 2.408 132 E HA 0.115 nan 4.350 nan 0.000 0.259 132 E C -0.060 176.431 176.600 -0.181 0.000 1.110 132 E CA -0.367 55.957 56.400 -0.127 0.000 0.929 132 E CB 0.363 29.995 29.700 -0.114 0.000 0.971 132 E HN -0.189 8.117 8.360 -0.091 0.000 0.438 133 M N 1.161 120.615 119.600 -0.244 0.000 2.436 133 M HA 0.312 nan 4.480 nan 0.000 0.331 133 M C -1.167 174.788 176.300 -0.576 0.000 1.135 133 M CA -0.473 54.574 55.300 -0.422 0.000 0.987 133 M CB 3.274 35.589 32.600 -0.475 0.000 1.687 133 M HN 0.587 8.752 8.290 -0.209 0.000 0.445 134 I N 0.881 121.067 120.570 -0.641 0.000 2.439 134 I HA 0.380 nan 4.170 nan 0.000 0.285 134 I C -0.804 174.954 176.117 -0.599 0.000 1.021 134 I CA -0.855 60.137 61.300 -0.512 0.000 1.091 134 I CB 2.244 40.093 38.000 -0.252 0.000 1.242 134 I HN 0.220 8.075 8.210 -0.592 0.000 0.439 135 F N 7.883 127.820 119.950 -0.021 0.000 2.334 135 F HA 0.259 nan 4.527 nan 0.000 0.365 135 F C 0.354 176.151 175.800 -0.004 0.000 1.124 135 F CA -1.406 56.599 58.000 0.008 0.000 1.166 135 F CB -1.214 37.823 39.000 0.062 0.000 1.355 135 F HN 0.985 9.160 8.300 -0.208 0.000 0.532 136 E N 5.231 125.471 120.200 0.067 0.000 2.085 136 E HA -0.404 nan 4.350 nan 0.000 0.194 136 E C 1.140 177.782 176.600 0.069 0.000 0.994 136 E CA 3.361 59.786 56.400 0.041 0.000 0.801 136 E CB -0.308 29.398 29.700 0.011 0.000 0.743 136 E HN 0.201 8.570 8.360 0.015 0.000 0.453 137 D N -3.192 117.267 120.400 0.098 0.000 2.123 137 D HA -0.220 nan 4.640 nan 0.000 0.196 137 D C 0.670 177.035 176.300 0.108 0.000 0.992 137 D CA 2.099 56.157 54.000 0.097 0.000 0.833 137 D CB -0.849 40.010 40.800 0.099 0.000 0.954 137 D HN 0.267 8.703 8.370 0.110 0.000 0.455 138 T N -7.320 107.315 114.554 0.134 0.000 3.069 138 T HA -0.046 nan 4.350 nan 0.000 0.252 138 T C 0.272 175.009 174.700 0.061 0.000 1.053 138 T CA -1.372 60.793 62.100 0.109 0.000 0.964 138 T CB 0.022 68.966 68.868 0.127 0.000 1.005 138 T HN -0.636 7.711 8.240 0.179 0.000 0.532 139 N N 0.296 119.034 118.700 0.064 0.000 2.727 139 N HA -0.416 nan 4.740 nan 0.000 0.251 139 N C -1.927 173.567 175.510 -0.026 0.000 1.040 139 N CA 1.082 54.137 53.050 0.008 0.000 0.712 139 N CB -0.518 37.953 38.487 -0.027 0.000 0.912 139 N HN -0.191 8.058 8.380 0.090 0.186 0.545 140 L N -3.065 118.200 121.223 0.070 0.000 2.370 140 L HA 0.638 nan 4.340 nan 0.000 0.266 140 L C -2.269 174.665 176.870 0.106 0.000 1.002 140 L CA -1.227 53.653 54.840 0.067 0.000 0.818 140 L CB 4.033 46.187 42.059 0.159 0.000 1.325 140 L HN -0.283 8.048 8.230 0.168 0.000 0.418 141 K N 1.523 121.923 120.400 0.000 0.000 2.378 141 K HA 0.846 nan 4.320 nan 0.000 0.252 141 K C -2.583 173.977 176.600 -0.067 0.000 0.931 141 K CA -1.343 54.904 56.287 -0.067 0.000 0.794 141 K CB 3.739 36.185 32.500 -0.090 0.000 1.181 141 K HN 0.447 8.670 8.250 -0.046 0.000 0.425 142 L N 6.369 127.523 121.223 -0.114 0.000 2.381 142 L HA 0.652 nan 4.340 nan 0.000 0.274 142 L C -2.658 174.132 176.870 -0.133 0.000 0.988 142 L CA -0.741 54.004 54.840 -0.160 0.000 0.824 142 L CB 3.822 45.728 42.059 -0.254 0.000 1.263 142 L HN 0.855 8.874 8.230 -0.174 0.106 0.410 143 T N 8.594 123.087 114.554 -0.101 0.000 2.861 143 T HA 0.423 nan 4.350 nan 0.000 0.287 143 T C -1.971 172.703 174.700 -0.044 0.000 1.003 143 T CA -0.583 61.475 62.100 -0.070 0.000 0.977 143 T CB 2.475 71.311 68.868 -0.054 0.000 0.996 143 T HN 0.253 8.435 8.240 -0.097 0.000 0.448 144 L N 5.357 126.564 121.223 -0.026 0.000 2.360 144 L HA 0.208 nan 4.340 nan 0.000 0.276 144 L C -0.915 175.952 176.870 -0.004 0.000 1.121 144 L CA 0.426 55.268 54.840 0.003 0.000 0.845 144 L CB 0.582 42.653 42.059 0.020 0.000 1.143 144 L HN 0.375 8.584 8.230 -0.036 0.000 0.452 145 I N 7.091 127.661 120.570 0.000 0.000 3.039 145 I HA 0.114 nan 4.170 nan 0.000 0.270 145 I C 0.069 176.187 176.117 0.002 0.000 1.150 145 I CA 0.588 61.887 61.300 -0.002 0.000 1.448 145 I CB 0.638 38.637 38.000 -0.001 0.000 1.197 145 I HN 0.947 9.159 8.210 0.004 0.000 0.450 146 S N -2.122 113.581 115.700 0.005 0.000 2.636 146 S HA 0.212 nan 4.470 nan 0.000 0.266 146 S C -2.573 172.033 174.600 0.010 0.000 1.147 146 S CA -0.395 57.809 58.200 0.006 0.000 0.815 146 S CB 1.657 64.859 63.200 0.002 0.000 1.119 146 S HN -0.652 7.662 8.310 0.006 0.000 0.470 147 E N -0.769 119.437 120.200 0.010 0.000 2.363 147 E HA 0.407 nan 4.350 nan 0.000 0.281 147 E C -2.285 174.315 176.600 -0.000 0.000 0.953 147 E CA -1.163 55.245 56.400 0.013 0.000 0.778 147 E CB 3.930 33.655 29.700 0.041 0.000 1.220 147 E HN 0.057 8.421 8.360 0.007 0.000 0.431 148 D N 3.390 123.783 120.400 -0.011 0.000 2.441 148 D HA 0.390 nan 4.640 nan 0.000 0.231 148 D C -1.121 175.133 176.300 -0.076 0.000 1.073 148 D CA -1.285 52.696 54.000 -0.032 0.000 0.850 148 D CB 1.444 42.235 40.800 -0.016 0.000 1.062 148 D HN 0.653 8.910 8.370 -0.009 0.108 0.524 149 I N 3.939 124.458 120.570 -0.084 0.000 2.325 149 I HA 0.259 nan 4.170 nan 0.000 0.291 149 I C -0.245 175.746 176.117 -0.209 0.000 1.019 149 I CA -0.212 61.011 61.300 -0.128 0.000 1.302 149 I CB 0.809 38.769 38.000 -0.067 0.000 1.401 149 I HN 0.181 8.356 8.210 -0.058 0.000 0.485 150 K N 7.257 127.430 120.400 -0.379 0.000 2.354 150 K HA 0.538 nan 4.320 nan 0.000 0.238 150 K C -0.192 176.226 176.600 -0.303 0.000 1.068 150 K CA -2.927 53.095 56.287 -0.442 0.000 0.925 150 K CB 1.777 33.701 32.500 -0.960 0.000 1.286 150 K HN 0.111 8.105 8.250 -0.427 0.000 0.500 151 S N -0.534 115.063 115.700 -0.172 0.000 2.355 151 S HA -0.237 nan 4.470 nan 0.000 0.222 151 S C 0.624 175.242 174.600 0.031 0.000 1.031 151 S CA 2.586 60.783 58.200 -0.005 0.000 0.993 151 S CB 0.531 63.809 63.200 0.131 0.000 0.859 151 S HN 0.596 8.695 8.310 -0.144 0.124 0.453 152 Y N -5.681 114.553 120.300 -0.110 0.000 2.584 152 Y HA 0.269 nan 4.550 nan 0.000 0.254 152 Y C -2.290 173.516 175.900 -0.157 0.000 1.177 152 Y CA -2.245 55.774 58.100 -0.134 0.000 1.216 152 Y CB 0.686 39.051 38.460 -0.158 0.000 1.172 152 Y HN -0.410 7.859 8.280 -0.018 0.000 0.529 153 Y N -7.385 112.592 120.300 -0.540 0.000 2.662 153 Y HA 0.455 nan 4.550 nan 0.000 0.334 153 Y C -2.811 172.979 175.900 -0.185 0.000 1.185 153 Y CA -1.355 56.505 58.100 -0.401 0.000 1.074 153 Y CB 1.626 39.809 38.460 -0.463 0.000 1.330 153 Y HN -0.934 6.988 8.280 -0.596 0.000 0.458 154 T N 2.125 116.712 114.554 0.055 0.000 2.881 154 T HA 0.497 nan 4.350 nan 0.000 0.290 154 T C -1.991 172.809 174.700 0.166 0.000 1.000 154 T CA -0.205 61.911 62.100 0.027 0.000 0.978 154 T CB 2.457 71.357 68.868 0.054 0.000 0.997 154 T HN 0.224 8.580 8.240 0.194 0.000 0.443 155 V N 7.078 127.045 119.914 0.089 0.000 2.370 155 V HA 0.611 nan 4.120 nan 0.000 0.283 155 V C -1.342 174.710 176.094 -0.070 0.000 1.023 155 V CA -1.076 61.201 62.300 -0.039 0.000 0.857 155 V CB 0.771 32.585 31.823 -0.015 0.000 0.985 155 V HN 0.714 8.921 8.190 0.028 0.000 0.443 156 R N 5.823 126.268 120.500 -0.092 0.000 2.589 156 R HA 0.701 nan 4.340 nan 0.000 0.293 156 R C -2.098 174.161 176.300 -0.069 0.000 0.963 156 R CA -1.931 54.152 56.100 -0.029 0.000 0.905 156 R CB 3.111 33.434 30.300 0.038 0.000 1.144 156 R HN 1.041 9.103 8.270 -0.158 0.114 0.459 157 Q N 4.265 124.044 119.800 -0.036 0.000 2.340 157 Q HA 0.642 nan 4.340 nan 0.000 0.259 157 Q C -1.876 174.120 176.000 -0.006 0.000 0.964 157 Q CA -0.844 54.940 55.803 -0.031 0.000 0.900 157 Q CB 1.640 30.365 28.738 -0.021 0.000 1.228 157 Q HN 0.549 8.700 8.270 -0.017 0.108 0.449 158 L N 6.037 127.262 121.223 0.004 0.000 2.303 158 L HA 0.846 nan 4.340 nan 0.000 0.266 158 L C -1.747 175.123 176.870 -0.001 0.000 1.011 158 L CA -1.665 53.173 54.840 -0.003 0.000 0.818 158 L CB 3.421 45.473 42.059 -0.012 0.000 1.326 158 L HN 1.018 9.253 8.230 0.009 0.000 0.435 159 E N 0.527 120.716 120.200 -0.018 0.000 2.185 159 E HA 0.564 nan 4.350 nan 0.000 0.261 159 E C -2.086 174.512 176.600 -0.004 0.000 0.879 159 E CA -1.455 54.949 56.400 0.008 0.000 0.756 159 E CB 3.187 32.891 29.700 0.007 0.000 1.152 159 E HN 0.304 8.640 8.360 -0.041 0.000 0.416 160 L N 7.957 129.219 121.223 0.066 0.000 2.272 160 L HA 0.603 nan 4.340 nan 0.000 0.289 160 L C -2.592 174.392 176.870 0.190 0.000 1.032 160 L CA -0.729 54.170 54.840 0.099 0.000 0.810 160 L CB 2.343 44.540 42.059 0.230 0.000 1.205 160 L HN 0.887 9.183 8.230 0.109 0.000 0.422 161 E N 7.399 127.618 120.200 0.031 0.000 2.176 161 E HA 0.373 nan 4.350 nan 0.000 0.267 161 E C -2.043 174.378 176.600 -0.298 0.000 0.893 161 E CA -1.872 54.492 56.400 -0.060 0.000 0.761 161 E CB 3.295 32.970 29.700 -0.042 0.000 1.133 161 E HN 1.011 9.362 8.360 -0.015 0.000 0.409 162 N N 7.680 125.998 118.700 -0.637 0.000 2.415 162 N HA 0.085 nan 4.740 nan 0.000 0.250 162 N C 0.834 176.133 175.510 -0.351 0.000 1.127 162 N CA -0.561 52.008 53.050 -0.802 0.000 0.945 162 N CB -0.146 37.590 38.487 -1.251 0.000 1.196 162 N HN 0.424 8.454 8.380 -0.583 0.000 0.499 163 L N 4.901 125.984 121.223 -0.233 0.000 2.131 163 L HA -0.314 nan 4.340 nan 0.000 0.210 163 L C 1.391 178.197 176.870 -0.107 0.000 1.092 163 L CA 2.747 57.508 54.840 -0.132 0.000 0.759 163 L CB -0.396 41.607 42.059 -0.094 0.000 0.903 163 L HN 0.263 8.351 8.230 -0.236 0.000 0.435 164 T N -2.166 112.312 114.554 -0.126 0.000 2.720 164 T HA -0.189 nan 4.350 nan 0.000 0.268 164 T C 1.228 175.894 174.700 -0.057 0.000 1.037 164 T CA 2.816 64.868 62.100 -0.080 0.000 1.144 164 T CB -0.079 68.741 68.868 -0.080 0.000 0.864 164 T HN -0.020 8.196 8.240 -0.171 -0.078 0.444 165 T N -4.799 109.712 114.554 -0.073 0.000 3.010 165 T HA 0.298 nan 4.350 nan 0.000 0.257 165 T C 0.878 175.573 174.700 -0.008 0.000 1.020 165 T CA -0.825 61.265 62.100 -0.017 0.000 0.938 165 T CB 0.938 69.825 68.868 0.032 0.000 1.049 165 T HN -0.549 7.852 8.240 -0.136 -0.242 0.522 166 Q N -2.181 117.591 119.800 -0.046 0.000 2.452 166 Q HA -0.427 nan 4.340 nan 0.000 0.248 166 Q C -1.253 174.763 176.000 0.026 0.000 0.874 166 Q CA 1.459 57.248 55.803 -0.023 0.000 1.208 166 Q CB -1.447 27.288 28.738 -0.006 0.000 1.569 166 Q HN 0.305 8.339 8.270 -0.089 0.183 0.579 167 E N 0.067 120.307 120.200 0.067 0.000 2.354 167 E HA 0.002 nan 4.350 nan 0.000 0.269 167 E C -1.613 175.157 176.600 0.283 0.000 1.036 167 E CA 0.249 56.779 56.400 0.217 0.000 0.876 167 E CB 1.921 31.864 29.700 0.405 0.000 1.009 167 E HN -0.796 7.519 8.360 0.014 0.053 0.416 168 T N 3.727 118.444 114.554 0.271 0.000 2.863 168 T HA 0.583 nan 4.350 nan 0.000 0.285 168 T C -0.810 174.032 174.700 0.236 0.000 1.009 168 T CA -0.862 61.384 62.100 0.244 0.000 0.989 168 T CB 1.353 70.293 68.868 0.121 0.000 1.004 168 T HN 0.213 8.578 8.240 0.209 0.000 0.455 169 R N 3.878 124.525 120.500 0.246 0.000 2.725 169 R HA 0.442 nan 4.340 nan 0.000 0.277 169 R C -2.119 174.237 176.300 0.093 0.000 0.987 169 R CA -1.531 54.641 56.100 0.120 0.000 0.901 169 R CB 4.353 34.666 30.300 0.021 0.000 1.207 169 R HN 0.744 9.192 8.270 0.297 0.000 0.463 170 E N 2.918 123.144 120.200 0.044 0.000 2.200 170 E HA 0.362 nan 4.350 nan 0.000 0.283 170 E C -1.340 175.278 176.600 0.030 0.000 1.015 170 E CA -0.887 55.532 56.400 0.032 0.000 0.819 170 E CB 0.956 30.664 29.700 0.014 0.000 1.081 170 E HN 0.295 8.670 8.360 0.024 0.000 0.397 171 I N 5.426 126.031 120.570 0.058 0.000 2.406 171 I HA 0.386 nan 4.170 nan 0.000 0.290 171 I C -1.370 174.786 176.117 0.065 0.000 0.999 171 I CA -2.042 59.321 61.300 0.105 0.000 1.124 171 I CB 1.588 39.730 38.000 0.236 0.000 1.289 171 I HN 0.659 8.787 8.210 0.050 0.112 0.441 172 L N 5.741 126.981 121.223 0.029 0.000 2.275 172 L HA 0.458 nan 4.340 nan 0.000 0.288 172 L C -1.730 175.030 176.870 -0.184 0.000 1.046 172 L CA -1.154 53.595 54.840 -0.151 0.000 0.805 172 L CB 0.795 42.748 42.059 -0.176 0.000 1.193 172 L HN 0.760 9.026 8.230 0.060 0.000 0.426 173 H N 5.428 124.265 119.070 -0.389 0.000 2.595 173 H HA 0.449 nan 4.556 nan 0.000 0.313 173 H C -1.520 173.554 175.328 -0.423 0.000 1.023 173 H CA -2.041 53.847 56.048 -0.267 0.000 1.218 173 H CB 2.425 32.060 29.762 -0.212 0.000 1.403 173 H HN 0.816 8.970 8.280 -0.211 0.000 0.477 174 F N 7.591 127.390 119.950 -0.251 0.000 2.361 174 F HA 0.373 nan 4.527 nan 0.000 0.364 174 F C -1.808 173.989 175.800 -0.005 0.000 1.120 174 F CA -1.238 56.727 58.000 -0.058 0.000 1.102 174 F CB 0.747 39.654 39.000 -0.155 0.000 1.183 174 F HN 0.900 9.136 8.300 -0.107 0.000 0.476 175 H N 6.140 125.285 119.070 0.125 0.000 2.685 175 H HA 0.373 nan 4.556 nan 0.000 0.307 175 H C -1.708 173.728 175.328 0.180 0.000 1.017 175 H CA -2.971 53.103 56.048 0.043 0.000 1.237 175 H CB 2.739 32.481 29.762 -0.034 0.000 1.409 175 H HN 0.765 9.268 8.280 0.372 0.000 0.488 176 Y N 9.900 130.242 120.300 0.070 0.000 2.436 176 Y HA -0.046 nan 4.550 nan 0.000 0.343 176 Y C -0.821 175.041 175.900 -0.065 0.000 1.008 176 Y CA -0.498 57.478 58.100 -0.207 0.000 1.241 176 Y CB 0.697 38.818 38.460 -0.565 0.000 1.153 176 Y HN 0.397 8.881 8.280 0.339 0.000 0.521 177 T N 2.622 117.161 114.554 -0.025 0.000 3.040 177 T HA 0.143 nan 4.350 nan 0.000 0.250 177 T C 0.101 174.901 174.700 0.167 0.000 1.058 177 T CA 0.244 62.327 62.100 -0.028 0.000 0.988 177 T CB 0.590 69.336 68.868 -0.205 0.000 0.993 177 T HN 0.350 8.386 8.240 -0.161 0.108 0.519 178 T N -1.649 113.094 114.554 0.315 0.000 3.269 178 T HA 0.266 nan 4.350 nan 0.000 0.269 178 T C -0.841 174.119 174.700 0.434 0.000 0.993 178 T CA -1.677 60.610 62.100 0.313 0.000 0.909 178 T CB -0.490 68.500 68.868 0.203 0.000 1.115 178 T HN -0.633 7.812 8.240 0.342 0.000 0.543 179 W N 2.606 124.023 121.300 0.195 0.000 2.336 179 W HA 0.508 nan 4.660 nan 0.000 0.315 179 W C -2.526 173.955 176.519 -0.064 0.000 1.016 179 W CA -4.623 52.693 57.345 -0.047 0.000 1.318 179 W CB 0.512 29.765 29.460 -0.345 0.000 1.247 179 W HN -0.227 8.204 8.180 0.512 0.056 0.414 180 P HA -0.051 nan 4.420 nan 0.000 0.269 180 P C -1.446 175.880 177.300 0.043 0.000 1.209 180 P CA -0.273 62.922 63.100 0.158 0.000 0.776 180 P CB 0.596 32.379 31.700 0.139 0.000 0.876 181 D N 0.543 120.920 120.400 -0.037 0.000 2.425 181 D HA -0.277 nan 4.640 nan 0.000 0.247 181 D C -0.463 175.791 176.300 -0.076 0.000 1.147 181 D CA 0.824 54.684 54.000 -0.234 0.000 0.879 181 D CB 0.104 40.775 40.800 -0.215 0.000 1.179 181 D HN -0.080 8.302 8.370 0.020 0.000 0.456 182 F N -4.500 115.397 119.950 -0.088 0.000 3.006 182 F HA -0.449 nan 4.527 nan 0.000 0.289 182 F C -0.964 174.825 175.800 -0.018 0.000 0.772 182 F CA 1.004 58.969 58.000 -0.058 0.000 1.162 182 F CB -1.781 37.189 39.000 -0.051 0.000 1.382 182 F HN 0.320 8.160 8.300 -0.766 0.000 0.406 183 G N -3.028 105.851 108.800 0.132 0.000 3.016 183 G HA2 0.274 nan 3.960 nan 0.000 0.270 183 G HA3 0.274 nan 3.960 nan 0.000 0.270 183 G C -2.185 172.844 174.900 0.215 0.000 1.352 183 G CA -1.238 43.947 45.100 0.141 0.000 1.060 183 G HN -0.452 7.756 8.290 0.056 0.115 0.538 184 V N -6.146 113.745 119.914 -0.038 0.000 3.141 184 V HA 0.657 nan 4.120 nan 0.000 0.312 184 V C -2.334 173.207 176.094 -0.922 0.000 1.157 184 V CA -3.774 58.224 62.300 -0.503 0.000 1.041 184 V CB 2.024 33.518 31.823 -0.549 0.000 1.071 184 V HN 0.019 8.168 8.190 -0.068 0.000 0.441 185 P HA 0.157 nan 4.420 nan 0.000 0.272 185 P C -0.999 175.976 177.300 -0.541 0.000 1.240 185 P CA -0.346 62.083 63.100 -1.119 0.000 0.791 185 P CB 0.734 31.695 31.700 -1.232 0.000 0.978 186 E N 1.000 121.038 120.200 -0.269 0.000 2.097 186 E HA -0.323 nan 4.350 nan 0.000 0.196 186 E C -0.050 176.504 176.600 -0.077 0.000 1.000 186 E CA 2.526 58.838 56.400 -0.147 0.000 0.804 186 E CB 0.399 30.020 29.700 -0.133 0.000 0.740 186 E HN 0.635 8.864 8.360 -0.219 0.000 0.454 187 S N -6.577 109.106 115.700 -0.027 0.000 2.587 187 S HA 0.346 nan 4.470 nan 0.000 0.269 187 S C -2.180 172.538 174.600 0.196 0.000 1.154 187 S CA -2.419 55.835 58.200 0.091 0.000 0.824 187 S CB 0.929 64.131 63.200 0.003 0.000 1.118 187 S HN -0.748 7.516 8.310 -0.071 0.003 0.462 188 P HA -0.130 nan 4.420 nan 0.000 0.216 188 P C 0.592 177.774 177.300 -0.198 0.000 1.150 188 P CA 2.526 65.524 63.100 -0.169 0.000 0.837 188 P CB -0.279 31.183 31.700 -0.397 0.000 0.786 189 A N -3.717 118.977 122.820 -0.209 0.000 1.902 189 A HA -0.170 nan 4.320 nan 0.000 0.217 189 A C 2.423 179.930 177.584 -0.129 0.000 1.181 189 A CA 3.201 55.078 52.037 -0.266 0.000 0.623 189 A CB -0.875 18.116 19.000 -0.016 0.000 0.818 189 A HN 0.205 8.273 8.150 -0.127 0.007 0.443 190 S N -0.873 114.786 115.700 -0.068 0.000 2.356 190 S HA -0.298 nan 4.470 nan 0.000 0.223 190 S C 2.106 176.801 174.600 0.159 0.000 1.032 190 S CA 3.174 61.316 58.200 -0.098 0.000 1.005 190 S CB -0.003 63.031 63.200 -0.278 0.000 0.867 190 S HN -0.753 7.434 8.310 -0.063 0.085 0.449 191 F N 3.124 123.109 119.950 0.058 0.000 2.075 191 F HA -0.294 nan 4.527 nan 0.000 0.297 191 F C 1.194 177.074 175.800 0.133 0.000 1.113 191 F CA 3.550 61.643 58.000 0.155 0.000 1.218 191 F CB 0.182 39.253 39.000 0.118 0.000 0.984 191 F HN -0.321 8.143 8.300 0.274 0.000 0.472 192 L N -1.884 119.201 121.223 -0.231 0.000 2.079 192 L HA -0.608 nan 4.340 nan 0.000 0.210 192 L C 1.922 178.643 176.870 -0.248 0.000 1.081 192 L CA 3.466 57.996 54.840 -0.517 0.000 0.752 192 L CB -0.798 40.450 42.059 -1.351 0.000 0.896 192 L HN 0.529 8.698 8.230 -0.101 0.000 0.433 193 N N -0.439 118.216 118.700 -0.076 0.000 2.120 193 N HA -0.377 nan 4.740 nan 0.000 0.188 193 N C 2.166 177.719 175.510 0.073 0.000 1.024 193 N CA 3.619 56.757 53.050 0.147 0.000 0.852 193 N CB 0.199 38.846 38.487 0.267 0.000 1.003 193 N HN -0.236 8.066 8.380 -0.110 0.012 0.424 194 F N 1.073 120.948 119.950 -0.126 0.000 2.128 194 F HA -0.258 nan 4.527 nan 0.000 0.295 194 F C 1.472 177.132 175.800 -0.233 0.000 1.100 194 F CA 3.130 60.947 58.000 -0.305 0.000 1.260 194 F CB 0.289 39.226 39.000 -0.105 0.000 1.009 194 F HN -0.695 7.650 8.300 0.226 0.090 0.476 195 L N -0.051 121.031 121.223 -0.234 0.000 2.012 195 L HA -0.398 nan 4.340 nan 0.000 0.210 195 L C 1.581 178.254 176.870 -0.329 0.000 1.073 195 L CA 3.311 57.941 54.840 -0.351 0.000 0.748 195 L CB -0.573 41.154 42.059 -0.555 0.000 0.891 195 L HN 0.330 8.426 8.230 -0.224 0.000 0.431 196 F N -2.538 117.212 119.950 -0.334 0.000 2.269 196 F HA -0.392 nan 4.527 nan 0.000 0.301 196 F C 2.030 177.678 175.800 -0.254 0.000 1.082 196 F CA 3.924 61.770 58.000 -0.256 0.000 1.360 196 F CB -0.870 38.029 39.000 -0.168 0.000 1.041 196 F HN 0.319 8.766 8.300 0.244 0.000 0.512 197 K N 0.355 120.647 120.400 -0.180 0.000 2.097 197 K HA -0.237 nan 4.320 nan 0.000 0.205 197 K C 2.371 178.711 176.600 -0.432 0.000 1.050 197 K CA 2.922 59.081 56.287 -0.214 0.000 0.938 197 K CB -0.630 31.705 32.500 -0.274 0.000 0.718 197 K HN -0.497 7.495 8.250 -0.197 0.139 0.442 198 V N -0.533 118.903 119.914 -0.796 0.000 2.358 198 V HA -0.395 nan 4.120 nan 0.000 0.246 198 V C 2.034 177.814 176.094 -0.524 0.000 1.047 198 V CA 3.963 65.612 62.300 -1.085 0.000 1.035 198 V CB -0.675 30.592 31.823 -0.928 0.000 0.658 198 V HN -0.425 7.210 8.190 -0.760 0.098 0.452 199 R N -1.474 118.781 120.500 -0.408 0.000 2.073 199 R HA -0.374 nan 4.340 nan 0.000 0.234 199 R C 2.867 179.053 176.300 -0.191 0.000 1.134 199 R CA 3.700 59.610 56.100 -0.317 0.000 0.952 199 R CB -0.205 29.804 30.300 -0.484 0.000 0.850 199 R HN -0.012 7.913 8.270 -0.455 0.072 0.433 200 E N -1.023 119.088 120.200 -0.149 0.000 2.333 200 E HA -0.237 nan 4.350 nan 0.000 0.198 200 E C 1.210 177.812 176.600 0.003 0.000 1.007 200 E CA 2.262 58.637 56.400 -0.042 0.000 0.845 200 E CB -0.447 29.257 29.700 0.007 0.000 0.766 200 E HN -0.120 8.129 8.360 -0.184 0.000 0.507 201 S N -2.923 112.777 115.700 0.002 0.000 2.522 201 S HA -0.056 nan 4.470 nan 0.000 0.227 201 S C 1.067 175.708 174.600 0.070 0.000 0.986 201 S CA 0.295 58.548 58.200 0.089 0.000 0.929 201 S CB 0.816 64.172 63.200 0.260 0.000 0.769 201 S HN -0.594 7.514 8.310 -0.077 0.155 0.529 202 G N 0.604 109.428 108.800 0.040 0.000 2.179 202 G HA2 -0.450 nan 3.960 nan 0.000 0.260 202 G HA3 -0.450 nan 3.960 nan 0.000 0.260 202 G C 0.572 175.549 174.900 0.128 0.000 0.977 202 G CA 0.828 45.990 45.100 0.105 0.000 0.641 202 G HN -0.046 8.077 8.290 -0.009 0.162 0.533 203 S N 1.864 117.580 115.700 0.028 0.000 2.447 203 S HA -0.265 nan 4.470 nan 0.000 0.233 203 S C 0.936 175.552 174.600 0.026 0.000 1.006 203 S CA 2.971 61.175 58.200 0.006 0.000 0.957 203 S CB -0.079 63.159 63.200 0.063 0.000 0.773 203 S HN -0.543 7.713 8.310 0.010 0.060 0.507 204 L N -1.475 119.744 121.223 -0.007 0.000 2.607 204 L HA 0.081 nan 4.340 nan 0.000 0.228 204 L C -1.027 175.812 176.870 -0.052 0.000 1.123 204 L CA -1.102 53.709 54.840 -0.049 0.000 0.890 204 L CB 0.149 42.154 42.059 -0.089 0.000 1.103 204 L HN -0.116 8.056 8.230 -0.026 0.042 0.468 205 S N 1.198 116.914 115.700 0.028 0.000 2.580 205 S HA 0.094 nan 4.470 nan 0.000 0.274 205 S C -0.723 173.840 174.600 -0.063 0.000 1.329 205 S CA -1.107 57.083 58.200 -0.017 0.000 1.036 205 S CB 0.195 63.396 63.200 0.002 0.000 0.919 205 S HN -0.754 7.432 8.310 0.109 0.190 0.515 206 P HA -0.119 nan 4.420 nan 0.000 0.225 206 P C -0.853 176.354 177.300 -0.155 0.000 1.148 206 P CA 1.842 64.870 63.100 -0.119 0.000 0.779 206 P CB -0.356 31.282 31.700 -0.104 0.000 0.780 207 E N -3.363 116.683 120.200 -0.256 0.000 2.502 207 E HA -0.153 nan 4.350 nan 0.000 0.194 207 E C -1.029 175.297 176.600 -0.457 0.000 1.062 207 E CA 0.268 56.459 56.400 -0.349 0.000 0.867 207 E CB -0.771 28.688 29.700 -0.401 0.000 0.888 207 E HN 0.332 8.477 8.360 -0.261 0.058 0.510 208 H N -0.340 118.691 119.070 -0.064 0.000 2.797 208 H HA 0.263 nan 4.556 nan 0.000 0.362 208 H C -0.122 175.157 175.328 -0.082 0.000 1.183 208 H CA -1.131 54.876 56.048 -0.069 0.000 1.197 208 H CB 3.086 32.816 29.762 -0.055 0.000 1.835 208 H HN -0.734 7.352 8.280 -0.164 0.095 0.567 209 G N -0.006 108.827 108.800 0.055 0.000 2.653 209 G HA2 0.094 nan 3.960 nan 0.000 0.265 209 G HA3 0.094 nan 3.960 nan 0.000 0.265 209 G C -2.005 172.879 174.900 -0.026 0.000 1.237 209 G CA -0.923 44.164 45.100 -0.021 0.000 0.946 209 G HN 0.550 8.814 8.290 0.075 0.071 0.522 210 P HA -0.158 nan 4.420 nan 0.000 0.267 210 P C -1.766 175.511 177.300 -0.038 0.000 1.205 210 P CA -0.072 62.984 63.100 -0.072 0.000 0.765 210 P CB 0.426 32.080 31.700 -0.078 0.000 0.828 211 V N 4.350 124.258 119.914 -0.010 0.000 2.673 211 V HA -0.056 nan 4.120 nan 0.000 0.303 211 V C -0.735 175.391 176.094 0.053 0.000 1.046 211 V CA 0.656 62.981 62.300 0.042 0.000 1.126 211 V CB 0.966 32.850 31.823 0.101 0.000 0.934 211 V HN 0.166 8.328 8.190 -0.047 0.000 0.487 212 V N 8.938 128.864 119.914 0.020 0.000 2.368 212 V HA 0.342 nan 4.120 nan 0.000 0.266 212 V C -1.032 175.098 176.094 0.061 0.000 1.045 212 V CA -0.238 62.057 62.300 -0.009 0.000 0.899 212 V CB -0.469 31.267 31.823 -0.145 0.000 1.006 212 V HN 0.072 8.279 8.190 0.028 0.000 0.470 213 V N 8.228 128.176 119.914 0.057 0.000 2.435 213 V HA 0.813 nan 4.120 nan 0.000 0.290 213 V C -1.724 174.388 176.094 0.030 0.000 1.030 213 V CA -1.810 60.480 62.300 -0.017 0.000 0.881 213 V CB 0.717 32.523 31.823 -0.028 0.000 0.983 213 V HN 1.011 9.238 8.190 0.062 0.000 0.445 214 H N 2.792 121.795 119.070 -0.112 0.000 3.014 214 H HA 0.778 nan 4.556 nan 0.000 0.337 214 H C -1.875 173.363 175.328 -0.150 0.000 1.320 214 H CA -0.747 55.235 56.048 -0.109 0.000 1.128 214 H CB 3.061 32.784 29.762 -0.064 0.000 1.862 214 H HN 0.726 8.840 8.280 -0.277 0.000 0.536 215 C N -0.774 118.476 119.300 -0.084 0.000 4.181 215 C HA 0.532 nan 4.460 nan 0.000 0.301 215 C C -1.283 173.766 174.990 0.097 0.000 4.923 215 C CA -1.838 57.090 59.018 -0.149 0.000 1.620 215 C CB 1.054 28.616 27.740 -0.295 0.000 5.750 215 C HN -0.123 8.159 8.230 0.086 0.000 0.517 216 S N 0.982 116.699 115.700 0.028 0.000 2.341 216 S HA -0.067 nan 4.470 nan 0.000 0.216 216 S C 2.029 176.764 174.600 0.226 0.000 1.034 216 S CA 2.403 60.687 58.200 0.141 0.000 0.964 216 S CB 0.091 63.390 63.200 0.165 0.000 0.882 216 S HN 0.165 8.428 8.310 -0.079 0.000 0.469 217 A N -1.388 121.557 122.820 0.208 0.000 2.021 217 A HA 0.140 nan 4.320 nan 0.000 0.216 217 A C -0.067 177.564 177.584 0.077 0.000 1.163 217 A CA 1.234 53.415 52.037 0.239 0.000 0.676 217 A CB -0.037 19.001 19.000 0.064 0.000 0.818 217 A HN 0.091 8.275 8.150 0.058 0.000 0.453 218 G N -4.023 104.777 108.800 -0.000 0.000 2.149 218 G HA2 -0.347 nan 3.960 nan 0.000 0.235 218 G HA3 -0.347 nan 3.960 nan 0.000 0.235 218 G C -0.135 174.731 174.900 -0.056 0.000 1.018 218 G CA 1.157 46.244 45.100 -0.022 0.000 0.728 218 G HN -0.333 7.937 8.290 -0.034 0.000 0.508 219 I N -7.546 112.970 120.570 -0.092 0.000 4.399 219 I HA 0.286 nan 4.170 nan 0.000 0.301 219 I C 0.288 176.341 176.117 -0.108 0.000 1.198 219 I CA 0.761 62.016 61.300 -0.075 0.000 1.315 219 I CB 0.379 38.357 38.000 -0.036 0.000 1.452 219 I HN -0.965 7.171 8.210 -0.123 0.000 0.457 220 G N 1.729 110.409 108.800 -0.200 0.000 2.662 220 G HA2 -0.254 nan 3.960 nan 0.000 0.215 220 G HA3 -0.254 nan 3.960 nan 0.000 0.215 220 G C 1.126 175.839 174.900 -0.312 0.000 1.310 220 G CA 1.867 46.822 45.100 -0.242 0.000 0.849 220 G HN 0.389 8.540 8.290 -0.232 0.000 0.568 221 R N 1.329 121.485 120.500 -0.574 0.000 2.096 221 R HA -0.305 nan 4.340 nan 0.000 0.235 221 R C 2.627 178.563 176.300 -0.606 0.000 1.127 221 R CA 3.516 59.017 56.100 -0.998 0.000 0.968 221 R CB -0.242 29.085 30.300 -1.621 0.000 0.861 221 R HN 0.323 8.226 8.270 -0.611 0.000 0.440 222 S N -0.039 115.438 115.700 -0.372 0.000 2.356 222 S HA -0.297 nan 4.470 nan 0.000 0.223 222 S C 2.003 176.576 174.600 -0.045 0.000 1.032 222 S CA 3.122 61.217 58.200 -0.176 0.000 1.005 222 S CB -0.354 62.759 63.200 -0.144 0.000 0.867 222 S HN -0.326 7.740 8.310 -0.379 0.016 0.449 223 G N 0.910 109.672 108.800 -0.063 0.000 2.440 223 G HA2 -0.346 nan 3.960 nan 0.000 0.218 223 G HA3 -0.346 nan 3.960 nan 0.000 0.218 223 G C 0.842 175.762 174.900 0.033 0.000 1.154 223 G CA 2.303 47.397 45.100 -0.010 0.000 0.767 223 G HN -0.349 7.688 8.290 -0.109 0.187 0.552 224 T N 5.476 120.064 114.554 0.057 0.000 2.684 224 T HA -0.332 nan 4.350 nan 0.000 0.267 224 T C 1.770 176.597 174.700 0.210 0.000 1.036 224 T CA 4.764 66.942 62.100 0.130 0.000 1.148 224 T CB -0.473 68.540 68.868 0.242 0.000 0.863 224 T HN -0.447 7.789 8.240 -0.008 0.000 0.436 225 F N 2.185 122.271 119.950 0.225 0.000 2.069 225 F HA -0.433 nan 4.527 nan 0.000 0.298 225 F C 1.004 176.910 175.800 0.177 0.000 1.113 225 F CA 4.094 62.354 58.000 0.434 0.000 1.214 225 F CB 0.188 39.381 39.000 0.321 0.000 0.978 225 F HN -0.553 7.984 8.300 0.394 0.000 0.474 226 C N -1.040 118.284 119.300 0.040 0.000 2.429 226 C HA -0.340 nan 4.460 nan 0.000 0.277 226 C C 1.958 176.807 174.990 -0.235 0.000 1.262 226 C CA 4.464 63.247 59.018 -0.392 0.000 1.733 226 C CB -1.947 25.400 27.740 -0.654 0.000 2.010 226 C HN -0.195 8.145 8.230 0.183 0.000 0.483 227 L N 0.688 121.861 121.223 -0.085 0.000 2.017 227 L HA -0.379 nan 4.340 nan 0.000 0.208 227 L C 1.302 178.156 176.870 -0.028 0.000 1.073 227 L CA 3.432 58.256 54.840 -0.027 0.000 0.745 227 L CB -0.508 41.559 42.059 0.013 0.000 0.894 227 L HN 0.153 8.358 8.230 -0.041 0.000 0.432 228 A N -1.800 121.009 122.820 -0.019 0.000 1.877 228 A HA -0.476 nan 4.320 nan 0.000 0.216 228 A C 1.834 179.410 177.584 -0.012 0.000 1.186 228 A CA 3.463 55.503 52.037 0.005 0.000 0.620 228 A CB -1.175 17.900 19.000 0.124 0.000 0.822 228 A HN -0.295 7.855 8.150 -0.000 0.000 0.443 229 D N -2.719 117.627 120.400 -0.089 0.000 2.092 229 D HA -0.322 nan 4.640 nan 0.000 0.193 229 D C 2.299 178.598 176.300 -0.002 0.000 0.994 229 D CA 3.347 57.279 54.000 -0.114 0.000 0.828 229 D CB 0.105 40.788 40.800 -0.195 0.000 0.963 229 D HN -0.293 7.991 8.370 -0.142 0.000 0.450 230 T N 2.661 117.252 114.554 0.062 0.000 2.684 230 T HA -0.323 nan 4.350 nan 0.000 0.267 230 T C 2.130 176.856 174.700 0.043 0.000 1.036 230 T CA 5.052 67.210 62.100 0.097 0.000 1.148 230 T CB -0.424 68.524 68.868 0.133 0.000 0.863 230 T HN -0.134 8.127 8.240 0.035 0.000 0.436 231 C N 2.140 121.451 119.300 0.018 0.000 2.422 231 C HA -0.214 nan 4.460 nan 0.000 0.279 231 C C 1.942 176.941 174.990 0.015 0.000 1.305 231 C CA 4.718 63.738 59.018 0.003 0.000 1.757 231 C CB -1.982 25.737 27.740 -0.035 0.000 1.962 231 C HN 0.077 8.312 8.230 0.008 0.000 0.499 232 L N -0.779 120.457 121.223 0.021 0.000 2.109 232 L HA -0.332 nan 4.340 nan 0.000 0.207 232 L C 2.132 179.029 176.870 0.046 0.000 1.086 232 L CA 3.010 57.881 54.840 0.052 0.000 0.760 232 L CB -0.318 41.782 42.059 0.068 0.000 0.910 232 L HN -0.135 7.997 8.230 0.011 0.104 0.437 233 L N -0.665 120.569 121.223 0.019 0.000 2.027 233 L HA -0.409 nan 4.340 nan 0.000 0.206 233 L C 1.815 178.698 176.870 0.021 0.000 1.074 233 L CA 3.313 58.159 54.840 0.011 0.000 0.745 233 L CB -0.193 41.864 42.059 -0.003 0.000 0.898 233 L HN -0.152 8.000 8.230 0.013 0.086 0.433 234 L N -2.182 119.056 121.223 0.025 0.000 1.989 234 L HA -0.493 nan 4.340 nan 0.000 0.211 234 L C 2.601 179.488 176.870 0.029 0.000 1.071 234 L CA 3.290 58.146 54.840 0.026 0.000 0.749 234 L CB -0.133 41.943 42.059 0.029 0.000 0.890 234 L HN 0.110 8.357 8.230 0.027 0.000 0.431 235 M N -3.751 115.869 119.600 0.034 0.000 2.460 235 M HA -0.346 nan 4.480 nan 0.000 0.263 235 M C 1.540 177.867 176.300 0.045 0.000 1.071 235 M CA 3.184 58.507 55.300 0.038 0.000 1.096 235 M CB -0.558 32.068 32.600 0.043 0.000 1.408 235 M HN -0.498 7.812 8.290 0.033 0.000 0.463 236 D N 0.940 121.370 120.400 0.051 0.000 2.091 236 D HA -0.203 nan 4.640 nan 0.000 0.199 236 D C 2.460 178.781 176.300 0.035 0.000 0.980 236 D CA 3.003 57.037 54.000 0.057 0.000 0.831 236 D CB 0.130 40.970 40.800 0.066 0.000 0.987 236 D HN -0.438 7.802 8.370 0.048 0.158 0.460 237 K N -2.499 117.916 120.400 0.024 0.000 2.280 237 K HA -0.212 nan 4.320 nan 0.000 0.202 237 K C 2.089 178.697 176.600 0.015 0.000 1.047 237 K CA 2.339 58.635 56.287 0.015 0.000 0.942 237 K CB -0.361 32.144 32.500 0.008 0.000 0.739 237 K HN -0.157 8.107 8.250 0.024 0.000 0.457 238 R N -3.267 117.244 120.500 0.019 0.000 2.335 238 R HA 0.110 nan 4.340 nan 0.000 0.210 238 R C -0.497 175.814 176.300 0.018 0.000 0.892 238 R CA -0.231 55.879 56.100 0.017 0.000 1.048 238 R CB 1.234 31.545 30.300 0.019 0.000 1.067 238 R HN -0.693 7.549 8.270 0.023 0.042 0.524 239 K N -2.139 118.274 120.400 0.022 0.000 3.148 239 K HA -0.316 nan 4.320 nan 0.000 0.267 239 K C -1.364 175.248 176.600 0.021 0.000 0.996 239 K CA 0.900 57.200 56.287 0.022 0.000 0.737 239 K CB -2.017 30.490 32.500 0.012 0.000 1.308 239 K HN -0.254 7.810 8.250 0.027 0.202 0.470 240 D N -1.698 118.717 120.400 0.025 0.000 2.328 240 D HA 0.351 nan 4.640 nan 0.000 0.243 240 D C -1.409 174.908 176.300 0.028 0.000 1.324 240 D CA -2.362 51.653 54.000 0.024 0.000 0.966 240 D CB 0.830 41.642 40.800 0.021 0.000 1.324 240 D HN -0.506 7.874 8.370 0.028 0.006 0.549 241 P HA -0.131 nan 4.420 nan 0.000 0.218 241 P C 0.734 178.052 177.300 0.030 0.000 1.148 241 P CA 1.833 64.952 63.100 0.032 0.000 0.822 241 P CB 0.290 32.011 31.700 0.036 0.000 0.784 242 S N -2.130 113.588 115.700 0.031 0.000 2.481 242 S HA -0.174 nan 4.470 nan 0.000 0.231 242 S C 1.249 175.867 174.600 0.031 0.000 0.996 242 S CA 2.477 60.697 58.200 0.034 0.000 0.942 242 S CB -0.423 62.796 63.200 0.033 0.000 0.768 242 S HN -0.347 8.099 8.310 0.029 -0.119 0.520 243 S N 0.125 115.842 115.700 0.028 0.000 2.522 243 S HA -0.034 nan 4.470 nan 0.000 0.227 243 S C -0.219 174.397 174.600 0.027 0.000 0.986 243 S CA 0.950 59.166 58.200 0.027 0.000 0.929 243 S CB 0.732 63.946 63.200 0.025 0.000 0.769 243 S HN -0.440 7.736 8.310 0.027 0.150 0.529 244 V N 2.954 122.882 119.914 0.023 0.000 2.432 244 V HA 0.028 nan 4.120 nan 0.000 0.275 244 V C -0.806 175.295 176.094 0.012 0.000 1.043 244 V CA 0.325 62.634 62.300 0.015 0.000 0.925 244 V CB 0.036 31.861 31.823 0.003 0.000 0.985 244 V HN -0.841 7.300 8.190 0.024 0.062 0.466 245 D N 6.535 126.946 120.400 0.018 0.000 2.472 245 D HA 0.191 nan 4.640 nan 0.000 0.234 245 D C 0.419 176.724 176.300 0.009 0.000 1.088 245 D CA -1.831 52.185 54.000 0.027 0.000 0.882 245 D CB 0.872 41.701 40.800 0.049 0.000 1.037 245 D HN 0.178 8.562 8.370 0.024 0.000 0.520 246 I N 4.250 124.784 120.570 -0.062 0.000 2.151 246 I HA -0.627 nan 4.170 nan 0.000 0.243 246 I C 1.311 177.443 176.117 0.024 0.000 1.080 246 I CA 3.628 64.860 61.300 -0.114 0.000 1.339 246 I CB 0.100 37.818 38.000 -0.470 0.000 1.039 246 I HN 0.440 8.593 8.210 -0.094 0.000 0.409 247 K N -2.512 117.954 120.400 0.109 0.000 2.097 247 K HA -0.349 nan 4.320 nan 0.000 0.206 247 K C 1.907 178.581 176.600 0.122 0.000 1.049 247 K CA 3.265 59.651 56.287 0.166 0.000 0.933 247 K CB -0.486 32.133 32.500 0.198 0.000 0.717 247 K HN -0.087 8.322 8.250 0.119 -0.088 0.442 248 K N 0.215 120.672 120.400 0.096 0.000 2.097 248 K HA -0.216 nan 4.320 nan 0.000 0.205 248 K C 2.193 178.850 176.600 0.095 0.000 1.050 248 K CA 2.999 59.339 56.287 0.088 0.000 0.938 248 K CB -0.062 32.482 32.500 0.073 0.000 0.718 248 K HN -0.727 7.732 8.250 0.088 -0.156 0.442 249 V N 0.527 120.492 119.914 0.085 0.000 2.295 249 V HA -0.344 nan 4.120 nan 0.000 0.246 249 V C 2.157 178.321 176.094 0.117 0.000 1.049 249 V CA 4.128 66.484 62.300 0.093 0.000 1.024 249 V CB -0.763 31.097 31.823 0.062 0.000 0.648 249 V HN -0.235 7.913 8.190 0.068 0.083 0.447 250 L N -0.686 120.605 121.223 0.114 0.000 2.046 250 L HA -0.322 nan 4.340 nan 0.000 0.208 250 L C 1.655 178.616 176.870 0.152 0.000 1.077 250 L CA 3.272 58.193 54.840 0.136 0.000 0.747 250 L CB -0.307 41.845 42.059 0.154 0.000 0.896 250 L HN -0.267 8.023 8.230 0.101 0.000 0.432 251 L N -2.902 118.404 121.223 0.138 0.000 2.083 251 L HA -0.475 nan 4.340 nan 0.000 0.209 251 L C 1.498 178.456 176.870 0.148 0.000 1.083 251 L CA 3.127 58.044 54.840 0.127 0.000 0.752 251 L CB -0.499 41.620 42.059 0.099 0.000 0.899 251 L HN -0.375 7.933 8.230 0.129 0.000 0.433 252 E N -1.988 118.313 120.200 0.168 0.000 2.072 252 E HA -0.197 nan 4.350 nan 0.000 0.191 252 E C 2.953 179.761 176.600 0.346 0.000 0.985 252 E CA 2.389 58.921 56.400 0.221 0.000 0.801 252 E CB -0.053 29.783 29.700 0.226 0.000 0.750 252 E HN -0.656 7.697 8.360 0.153 0.099 0.452 253 M N -0.478 119.314 119.600 0.321 0.000 2.159 253 M HA -0.356 nan 4.480 nan 0.000 0.263 253 M C 2.604 179.146 176.300 0.403 0.000 1.063 253 M CA 3.963 59.498 55.300 0.391 0.000 1.110 253 M CB -0.051 32.682 32.600 0.222 0.000 1.374 253 M HN -0.145 8.210 8.290 0.239 0.078 0.411 254 R N -3.230 117.439 120.500 0.282 0.000 2.357 254 R HA -0.176 nan 4.340 nan 0.000 0.202 254 R C 1.049 177.566 176.300 0.361 0.000 1.047 254 R CA 1.739 58.005 56.100 0.278 0.000 1.034 254 R CB -0.775 29.645 30.300 0.200 0.000 0.875 254 R HN -0.253 8.060 8.270 0.235 0.097 0.473 255 K N -2.644 117.907 120.400 0.252 0.000 2.305 255 K HA -0.076 nan 4.320 nan 0.000 0.199 255 K C 0.584 177.272 176.600 0.146 0.000 1.047 255 K CA 2.603 58.993 56.287 0.173 0.000 0.976 255 K CB 0.402 32.766 32.500 -0.227 0.000 0.765 255 K HN -0.513 7.677 8.250 0.238 0.203 0.474 256 F N -3.992 116.239 119.950 0.468 0.000 2.622 256 F HA 0.021 nan 4.527 nan 0.000 0.288 256 F C -0.075 175.845 175.800 0.200 0.000 1.120 256 F CA 1.297 59.481 58.000 0.306 0.000 1.423 256 F CB 1.709 40.804 39.000 0.159 0.000 1.127 256 F HN -0.355 8.042 8.300 0.422 0.157 0.588 257 R N -2.131 118.538 120.500 0.283 0.000 2.561 257 R HA 0.310 nan 4.340 nan 0.000 0.266 257 R C -2.033 174.208 176.300 -0.099 0.000 1.091 257 R CA -0.723 55.303 56.100 -0.123 0.000 0.927 257 R CB 3.572 33.850 30.300 -0.037 0.000 1.240 257 R HN -0.797 7.708 8.270 0.392 0.000 0.449 258 M N 1.990 121.367 119.600 -0.372 0.000 2.240 258 M HA 0.057 nan 4.480 nan 0.000 0.333 258 M C 0.231 176.529 176.300 -0.003 0.000 1.110 258 M CA 1.135 56.380 55.300 -0.092 0.000 1.173 258 M CB 0.587 33.107 32.600 -0.133 0.000 1.458 258 M HN 0.576 8.446 8.290 -0.700 0.000 0.458 259 G N -1.319 107.519 108.800 0.064 0.000 2.233 259 G HA2 -0.291 nan 3.960 nan 0.000 0.270 259 G HA3 -0.291 nan 3.960 nan 0.000 0.270 259 G C 0.098 175.055 174.900 0.095 0.000 1.011 259 G CA 0.181 45.332 45.100 0.085 0.000 0.762 259 G HN 0.253 8.595 8.290 0.088 0.000 0.511 260 L N -0.723 120.557 121.223 0.094 0.000 2.562 260 L HA -0.299 nan 4.340 nan 0.000 0.271 260 L C -0.179 176.769 176.870 0.130 0.000 1.167 260 L CA 0.439 55.329 54.840 0.084 0.000 0.917 260 L CB -0.384 41.729 42.059 0.091 0.000 1.187 260 L HN -0.522 7.731 8.230 0.100 0.037 0.482 261 I N 0.601 121.224 120.570 0.088 0.000 7.505 261 I HA -0.553 nan 4.170 nan 0.000 0.126 261 I C 0.302 176.527 176.117 0.180 0.000 1.841 261 I CA 0.607 61.967 61.300 0.100 0.000 2.037 261 I CB -1.057 37.031 38.000 0.146 0.000 3.664 261 I HN 0.880 8.993 8.210 0.027 0.114 0.169 262 Q N 4.201 124.058 119.800 0.095 0.000 2.398 262 Q HA 0.008 nan 4.340 nan 0.000 0.204 262 Q C -0.022 176.052 176.000 0.124 0.000 0.932 262 Q CA 1.194 57.124 55.803 0.210 0.000 0.916 262 Q CB 0.367 29.255 28.738 0.251 0.000 1.024 262 Q HN 0.358 8.871 8.270 0.006 -0.239 0.504 263 T N -5.953 108.466 114.554 -0.225 0.000 2.906 263 T HA 0.297 nan 4.350 nan 0.000 0.295 263 T C -0.552 173.591 174.700 -0.928 0.000 1.075 263 T CA -1.811 60.023 62.100 -0.444 0.000 1.005 263 T CB 3.096 71.897 68.868 -0.111 0.000 1.136 263 T HN -0.759 7.497 8.240 -0.206 -0.139 0.498 264 A N 1.195 123.581 122.820 -0.722 0.000 1.969 264 A HA -0.310 nan 4.320 nan 0.000 0.218 264 A C 0.761 178.198 177.584 -0.246 0.000 1.169 264 A CA 2.984 54.791 52.037 -0.382 0.000 0.635 264 A CB -0.395 18.630 19.000 0.043 0.000 0.810 264 A HN 0.529 8.442 8.150 -0.395 0.000 0.445 265 D N -2.757 117.514 120.400 -0.216 0.000 2.183 265 D HA -0.258 nan 4.640 nan 0.000 0.203 265 D C 1.971 178.181 176.300 -0.151 0.000 0.969 265 D CA 2.629 56.510 54.000 -0.199 0.000 0.842 265 D CB -0.107 40.621 40.800 -0.121 0.000 0.957 265 D HN -0.039 8.203 8.370 -0.190 0.014 0.484 266 Q N -0.361 119.360 119.800 -0.131 0.000 2.119 266 Q HA -0.282 nan 4.340 nan 0.000 0.201 266 Q C 2.646 178.642 176.000 -0.006 0.000 0.972 266 Q CA 3.003 58.784 55.803 -0.037 0.000 0.847 266 Q CB 0.139 28.859 28.738 -0.030 0.000 0.903 266 Q HN -0.284 7.755 8.270 -0.185 0.120 0.433 267 L N 0.016 121.200 121.223 -0.066 0.000 2.027 267 L HA -0.288 nan 4.340 nan 0.000 0.206 267 L C 1.141 178.028 176.870 0.029 0.000 1.074 267 L CA 2.817 57.709 54.840 0.086 0.000 0.745 267 L CB -0.303 41.883 42.059 0.213 0.000 0.898 267 L HN -0.390 7.636 8.230 -0.185 0.093 0.433 268 R N -0.945 119.326 120.500 -0.381 0.000 2.083 268 R HA -0.449 nan 4.340 nan 0.000 0.237 268 R C 2.199 178.357 176.300 -0.236 0.000 1.137 268 R CA 3.597 59.193 56.100 -0.840 0.000 0.951 268 R CB -0.264 29.308 30.300 -1.213 0.000 0.851 268 R HN -0.166 7.822 8.270 -0.372 0.059 0.434 269 F N -0.440 119.349 119.950 -0.267 0.000 2.161 269 F HA -0.322 nan 4.527 nan 0.000 0.300 269 F C 1.268 176.933 175.800 -0.225 0.000 1.089 269 F CA 3.454 61.307 58.000 -0.246 0.000 1.282 269 F CB 0.146 38.968 39.000 -0.296 0.000 1.010 269 F HN 0.241 8.409 8.300 -0.036 0.111 0.485 270 S N 0.751 116.424 115.700 -0.046 0.000 2.370 270 S HA -0.495 nan 4.470 nan 0.000 0.226 270 S C 2.112 176.621 174.600 -0.152 0.000 1.033 270 S CA 3.868 62.004 58.200 -0.107 0.000 1.011 270 S CB -0.278 62.934 63.200 0.019 0.000 0.852 270 S HN -0.331 7.930 8.310 0.073 0.093 0.457 271 Y N 1.154 121.362 120.300 -0.153 0.000 2.145 271 Y HA -0.375 nan 4.550 nan 0.000 0.286 271 Y C 2.047 177.732 175.900 -0.359 0.000 1.145 271 Y CA 4.075 62.110 58.100 -0.107 0.000 1.148 271 Y CB -0.202 38.366 38.460 0.180 0.000 0.981 271 Y HN -0.540 7.829 8.280 0.307 0.095 0.507 272 L N -1.642 119.348 121.223 -0.388 0.000 2.012 272 L HA -0.573 nan 4.340 nan 0.000 0.210 272 L C 2.219 178.758 176.870 -0.551 0.000 1.073 272 L CA 3.189 57.675 54.840 -0.590 0.000 0.748 272 L CB -0.692 40.957 42.059 -0.682 0.000 0.891 272 L HN -0.290 7.688 8.230 -0.309 0.066 0.431 273 A N -1.074 121.315 122.820 -0.718 0.000 1.902 273 A HA -0.299 nan 4.320 nan 0.000 0.217 273 A C 2.242 179.675 177.584 -0.252 0.000 1.181 273 A CA 3.447 55.168 52.037 -0.526 0.000 0.623 273 A CB -0.747 17.917 19.000 -0.559 0.000 0.818 273 A HN 0.348 7.950 8.150 -0.913 0.000 0.443 274 V N -0.416 119.373 119.914 -0.208 0.000 2.358 274 V HA -0.444 nan 4.120 nan 0.000 0.246 274 V C 2.034 178.081 176.094 -0.078 0.000 1.047 274 V CA 4.355 66.591 62.300 -0.107 0.000 1.035 274 V CB -0.767 30.980 31.823 -0.127 0.000 0.658 274 V HN -0.102 7.930 8.190 -0.264 0.000 0.452 275 I N -1.017 119.479 120.570 -0.123 0.000 2.179 275 I HA -0.591 nan 4.170 nan 0.000 0.242 275 I C 1.989 178.082 176.117 -0.040 0.000 1.088 275 I CA 4.136 65.386 61.300 -0.083 0.000 1.357 275 I CB -0.181 37.731 38.000 -0.147 0.000 1.051 275 I HN 0.101 8.203 8.210 -0.180 0.000 0.409 276 E N -0.623 119.527 120.200 -0.084 0.000 2.051 276 E HA -0.244 nan 4.350 nan 0.000 0.192 276 E C 2.945 179.648 176.600 0.172 0.000 0.991 276 E CA 2.554 58.960 56.400 0.010 0.000 0.799 276 E CB -0.401 29.236 29.700 -0.104 0.000 0.748 276 E HN -0.076 8.179 8.360 -0.176 0.000 0.449 277 G N -1.770 107.073 108.800 0.071 0.000 2.470 277 G HA2 -0.274 nan 3.960 nan 0.000 0.220 277 G HA3 -0.274 nan 3.960 nan 0.000 0.220 277 G C 0.697 175.798 174.900 0.334 0.000 1.121 277 G CA 1.566 46.807 45.100 0.235 0.000 0.766 277 G HN 0.166 8.313 8.290 -0.060 0.107 0.553 278 A N 1.538 124.475 122.820 0.194 0.000 1.940 278 A HA -0.297 nan 4.320 nan 0.000 0.219 278 A C 1.786 179.474 177.584 0.174 0.000 1.176 278 A CA 2.866 54.999 52.037 0.161 0.000 0.631 278 A CB -0.798 18.254 19.000 0.087 0.000 0.814 278 A HN -0.206 7.886 8.150 0.120 0.131 0.446 279 K N -1.736 118.775 120.400 0.185 0.000 2.020 279 K HA -0.411 nan 4.320 nan 0.000 0.212 279 K C 2.080 178.745 176.600 0.108 0.000 1.050 279 K CA 3.038 59.401 56.287 0.126 0.000 0.929 279 K CB -0.354 32.221 32.500 0.126 0.000 0.714 279 K HN -0.551 7.805 8.250 0.201 0.014 0.443 280 F N 0.207 120.184 119.950 0.044 0.000 2.075 280 F HA -0.337 nan 4.527 nan 0.000 0.297 280 F C 1.839 177.685 175.800 0.078 0.000 1.113 280 F CA 3.102 61.096 58.000 -0.009 0.000 1.218 280 F CB 0.207 39.203 39.000 -0.007 0.000 0.984 280 F HN -0.802 7.755 8.300 0.429 0.000 0.472 281 I N -1.189 119.622 120.570 0.403 0.000 2.315 281 I HA -0.468 nan 4.170 nan 0.000 0.251 281 I C 1.703 177.851 176.117 0.052 0.000 1.125 281 I CA 2.964 64.415 61.300 0.252 0.000 1.392 281 I CB -0.864 37.283 38.000 0.244 0.000 1.065 281 I HN -0.424 8.106 8.210 0.533 0.000 0.424 282 M N -2.596 117.020 119.600 0.026 0.000 2.608 282 M HA 0.046 nan 4.480 nan 0.000 0.224 282 M C 0.496 176.750 176.300 -0.078 0.000 1.204 282 M CA -1.624 53.665 55.300 -0.017 0.000 0.984 282 M CB -1.386 31.219 32.600 0.008 0.000 1.691 282 M HN -0.168 8.033 8.290 0.064 0.127 0.469 283 G N -0.200 108.501 108.800 -0.165 0.000 2.159 283 G HA2 -0.325 nan 3.960 nan 0.000 0.227 283 G HA3 -0.325 nan 3.960 nan 0.000 0.227 283 G C -0.705 174.060 174.900 -0.226 0.000 0.986 283 G CA -0.123 44.857 45.100 -0.199 0.000 0.651 283 G HN -0.005 8.076 8.290 -0.213 0.081 0.523 284 D N 0.792 121.044 120.400 -0.247 0.000 2.622 284 D HA 0.278 nan 4.640 nan 0.000 0.262 284 D C 0.233 176.343 176.300 -0.316 0.000 1.189 284 D CA -2.405 51.466 54.000 -0.215 0.000 0.985 284 D CB -1.010 39.709 40.800 -0.135 0.000 0.994 284 D HN -0.536 7.692 8.370 -0.236 0.000 0.513 285 S N 2.039 117.503 115.700 -0.393 0.000 2.440 285 S HA -0.320 nan 4.470 nan 0.000 0.238 285 S C 1.503 176.014 174.600 -0.147 0.000 1.010 285 S CA 2.851 60.822 58.200 -0.382 0.000 0.972 285 S CB -0.092 62.933 63.200 -0.292 0.000 0.774 285 S HN -0.144 7.917 8.310 -0.344 0.043 0.501 286 S N 1.404 117.000 115.700 -0.172 0.000 2.399 286 S HA -0.234 nan 4.470 nan 0.000 0.231 286 S C 1.709 176.146 174.600 -0.272 0.000 1.022 286 S CA 2.927 61.028 58.200 -0.166 0.000 0.983 286 S CB -0.146 62.975 63.200 -0.131 0.000 0.803 286 S HN -0.372 7.875 8.310 -0.177 -0.043 0.480 287 V N -1.883 117.800 119.914 -0.384 0.000 2.453 287 V HA -0.394 nan 4.120 nan 0.000 0.252 287 V C 1.334 176.695 176.094 -1.223 0.000 1.068 287 V CA 2.539 64.408 62.300 -0.719 0.000 1.070 287 V CB -1.525 29.831 31.823 -0.778 0.000 0.664 287 V HN -0.509 7.595 8.190 -0.307 -0.098 0.461 288 Q N 0.167 119.405 119.800 -0.937 0.000 2.135 288 Q HA -0.409 nan 4.340 nan 0.000 0.204 288 Q C 2.035 177.836 176.000 -0.332 0.000 0.981 288 Q CA 3.646 58.992 55.803 -0.762 0.000 0.856 288 Q CB -0.407 28.132 28.738 -0.332 0.000 0.902 288 Q HN -0.274 7.642 8.270 -0.543 0.028 0.425 289 D N -0.932 119.325 120.400 -0.237 0.000 2.183 289 D HA -0.186 nan 4.640 nan 0.000 0.203 289 D C 2.436 178.678 176.300 -0.096 0.000 0.969 289 D CA 3.207 57.144 54.000 -0.105 0.000 0.842 289 D CB -0.283 40.472 40.800 -0.075 0.000 0.957 289 D HN -0.326 7.780 8.370 -0.258 0.108 0.484 290 Q N 0.448 120.134 119.800 -0.190 0.000 2.084 290 Q HA -0.294 nan 4.340 nan 0.000 0.202 290 Q C 2.724 178.735 176.000 0.019 0.000 0.978 290 Q CA 3.099 58.835 55.803 -0.112 0.000 0.844 290 Q CB -0.014 28.623 28.738 -0.168 0.000 0.898 290 Q HN -0.652 7.333 8.270 -0.300 0.105 0.426 291 W N -1.468 119.789 121.300 -0.072 0.000 2.358 291 W HA -0.269 nan 4.660 nan 0.000 0.303 291 W C 2.026 178.516 176.519 -0.049 0.000 1.208 291 W CA 1.053 58.350 57.345 -0.079 0.000 1.274 291 W CB -0.720 28.669 29.460 -0.118 0.000 1.138 291 W HN 0.468 8.460 8.180 -0.314 0.000 0.515 292 K N -0.549 119.973 120.400 0.203 0.000 2.097 292 K HA -0.468 nan 4.320 nan 0.000 0.206 292 K C 1.830 178.483 176.600 0.087 0.000 1.049 292 K CA 3.559 59.940 56.287 0.157 0.000 0.933 292 K CB -0.291 32.280 32.500 0.118 0.000 0.717 292 K HN -0.545 7.726 8.250 0.156 0.073 0.442 293 E N -1.313 118.908 120.200 0.036 0.000 2.028 293 E HA -0.259 nan 4.350 nan 0.000 0.191 293 E C 3.217 179.715 176.600 -0.170 0.000 0.988 293 E CA 2.776 59.171 56.400 -0.009 0.000 0.799 293 E CB 0.038 29.739 29.700 0.002 0.000 0.755 293 E HN -0.564 7.725 8.360 0.040 0.095 0.447 294 L N -1.780 119.341 121.223 -0.170 0.000 2.191 294 L HA -0.358 nan 4.340 nan 0.000 0.212 294 L C 1.361 177.889 176.870 -0.571 0.000 1.103 294 L CA 2.459 57.086 54.840 -0.355 0.000 0.769 294 L CB -0.308 41.698 42.059 -0.088 0.000 0.908 294 L HN 0.068 8.274 8.230 -0.041 0.000 0.438 295 S N -3.957 111.593 115.700 -0.250 0.000 2.423 295 S HA -0.283 nan 4.470 nan 0.000 0.231 295 S C 0.518 175.075 174.600 -0.072 0.000 1.014 295 S CA 1.815 59.927 58.200 -0.148 0.000 0.965 295 S CB 0.671 63.970 63.200 0.165 0.000 0.785 295 S HN -0.144 8.093 8.310 -0.086 0.021 0.495 296 H N -1.349 117.796 119.070 0.125 0.000 2.839 296 H HA -0.280 nan 4.556 nan 0.000 0.298 296 H C 0.610 176.049 175.328 0.185 0.000 1.224 296 H CA 0.499 56.614 56.048 0.113 0.000 1.144 296 H CB -2.444 27.351 29.762 0.055 0.000 1.372 296 H HN -0.419 7.618 8.280 -0.197 0.124 0.408 297 E N -1.752 118.654 120.200 0.343 0.000 2.267 297 E HA -0.374 nan 4.350 nan 0.000 0.197 297 E C -0.044 176.617 176.600 0.101 0.000 0.998 297 E CA 2.420 58.998 56.400 0.295 0.000 0.830 297 E CB -0.061 29.810 29.700 0.284 0.000 0.751 297 E HN -0.470 8.059 8.360 0.309 0.017 0.491 298 D N 0.000 120.470 120.400 0.117 0.000 6.856 298 D HA 0.000 nan 4.640 nan 0.000 0.175 298 D CA 0.000 54.038 54.000 0.063 0.000 0.868 298 D CB 0.000 40.840 40.800 0.067 0.000 0.688 298 D HN 0.000 8.420 8.370 0.161 0.047 0.683