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 3e48_1_A DATA FIRST_RESID 2 DATA SEQUENCE NIXLTGATGH LGTHITNQAI ANHIDHFHIG VRNVEKVPDD WRGKVSVRQL DATA SEQUENCE DYFNQESXVE AFKGXDTVVF IPSIIHPSFK RIPEVENLVY AAKQSGVAHI DATA SEQUENCE IFIGYYADQH NNPFHXSPYF GYASRLLSTS GIDYTYVRXA XYXDPLKPYL DATA SEQUENCE PELXNXHKLI YPAGDGRINY ITRNDIARGV IAIIKNPDTW GKRYLLSGYS DATA SEQUENCE YDXKELAAIL SEASGTEIKY EPVSLETFAE XYDEPKGFGA LLASXYHAGA DATA SEQUENCE RGLLDQESND FKQLVNDQPQ TLQSFLQE 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.524 175.510 0.023 0.000 1.280 2 N CA 0.000 53.095 53.050 0.074 0.000 0.885 2 N CB 0.000 38.426 38.487 -0.101 0.000 1.341 6 T N 0.913 115.507 114.554 0.066 0.000 2.918 6 T HA 0.623 4.996 4.350 0.037 0.000 0.283 6 T C 1.003 175.766 174.700 0.104 0.000 1.001 6 T CA 0.079 62.271 62.100 0.153 0.000 1.041 6 T CB 1.458 70.454 68.868 0.212 0.000 1.028 6 T HN 2.149 nan 8.240 nan 0.000 0.511 7 G N 0.397 109.274 108.800 0.129 0.000 2.283 7 G HA2 -0.135 3.848 3.960 0.037 0.000 0.280 7 G HA3 -0.135 3.848 3.960 0.037 0.000 0.280 7 G C 1.052 175.980 174.900 0.047 0.000 1.029 7 G CA 0.308 45.405 45.100 -0.006 0.000 0.840 7 G HN 1.519 nan 8.290 nan 0.000 0.505 8 A N -0.399 122.488 122.820 0.112 0.000 2.024 8 A HA 0.079 4.421 4.320 0.037 0.000 0.220 8 A C 2.508 180.269 177.584 0.295 0.000 1.164 8 A CA 2.634 54.785 52.037 0.189 0.000 0.643 8 A CB -0.561 18.567 19.000 0.213 0.000 0.806 8 A HN 1.581 nan 8.150 nan 0.000 0.451 9 T N -3.076 111.597 114.554 0.199 0.000 3.107 9 T HA 0.408 4.780 4.350 0.037 0.000 0.249 9 T C 0.949 175.645 174.700 -0.008 0.000 1.096 9 T CA 0.354 62.524 62.100 0.117 0.000 1.012 9 T CB -0.115 68.756 68.868 0.005 0.000 0.977 9 T HN 0.420 nan 8.240 nan 0.000 0.527 10 G N 0.027 108.822 108.800 -0.009 0.000 2.563 10 G HA2 0.310 4.293 3.960 0.037 0.000 0.283 10 G HA3 0.310 4.293 3.960 0.037 0.000 0.283 10 G C 0.549 175.419 174.900 -0.049 0.000 1.309 10 G CA -0.495 44.550 45.100 -0.092 0.000 1.022 10 G HN 0.241 nan 8.290 nan 0.000 0.501 11 H N -0.827 118.247 119.070 0.006 0.000 2.265 11 H HA -0.132 4.446 4.556 0.038 0.000 0.295 11 H C 2.495 177.867 175.328 0.073 0.000 1.084 11 H CA 1.848 57.895 56.048 -0.001 0.000 1.261 11 H CB -0.371 29.356 29.762 -0.059 0.000 1.360 11 H HN 0.247 nan 8.280 nan 0.000 0.487 12 L N 0.774 122.120 121.223 0.205 0.000 2.056 12 L HA -0.000 4.362 4.340 0.037 0.000 0.207 12 L C 2.569 179.555 176.870 0.192 0.000 1.078 12 L CA 1.918 56.875 54.840 0.195 0.000 0.749 12 L CB -1.048 41.100 42.059 0.149 0.000 0.901 12 L HN 0.298 nan 8.230 nan 0.000 0.433 13 G N -1.865 107.024 108.800 0.147 0.000 2.442 13 G HA2 -0.265 3.717 3.960 0.037 0.000 0.219 13 G HA3 -0.265 3.717 3.960 0.037 0.000 0.219 13 G C 1.446 176.464 174.900 0.197 0.000 1.141 13 G CA 1.247 46.437 45.100 0.150 0.000 0.763 13 G HN 0.434 nan 8.290 nan 0.000 0.554 14 T N 0.045 114.730 114.554 0.219 0.000 2.777 14 T HA -0.069 4.304 4.350 0.037 0.000 0.266 14 T C 2.089 176.878 174.700 0.148 0.000 1.040 14 T CA 1.125 63.398 62.100 0.288 0.000 1.141 14 T CB -0.319 68.629 68.868 0.133 0.000 0.868 14 T HN 0.354 nan 8.240 nan 0.000 0.444 15 H N 0.696 119.845 119.070 0.131 0.000 2.321 15 H HA 0.039 4.617 4.556 0.036 0.000 0.300 15 H C 2.407 177.752 175.328 0.028 0.000 1.087 15 H CA 1.266 57.359 56.048 0.076 0.000 1.319 15 H CB -0.405 29.389 29.762 0.054 0.000 1.379 15 H HN 0.340 nan 8.280 nan 0.000 0.501 16 I N 0.420 121.088 120.570 0.163 0.000 2.226 16 I HA -0.239 3.953 4.170 0.037 0.000 0.245 16 I C 2.415 178.487 176.117 -0.074 0.000 1.100 16 I CA 1.374 62.715 61.300 0.068 0.000 1.374 16 I CB -0.395 37.675 38.000 0.117 0.000 1.057 16 I HN 0.185 nan 8.210 nan 0.000 0.413 17 T N 0.662 115.147 114.554 -0.114 0.000 2.708 17 T HA -0.131 4.241 4.350 0.037 0.000 0.266 17 T C 1.750 176.149 174.700 -0.500 0.000 1.037 17 T CA 1.387 63.229 62.100 -0.430 0.000 1.146 17 T CB -0.321 68.045 68.868 -0.837 0.000 0.865 17 T HN 0.281 nan 8.240 nan 0.000 0.435 18 N N 1.326 119.885 118.700 -0.235 0.000 2.166 18 N HA -0.077 4.685 4.740 0.037 0.000 0.186 18 N C 2.051 177.459 175.510 -0.170 0.000 1.019 18 N CA 1.068 54.040 53.050 -0.130 0.000 0.856 18 N CB -0.285 38.233 38.487 0.053 0.000 0.993 18 N HN 0.552 nan 8.380 nan 0.000 0.426 19 Q N 0.132 119.848 119.800 -0.140 0.000 2.119 19 Q HA 0.068 4.430 4.340 0.037 0.000 0.201 19 Q C 2.042 177.890 176.000 -0.254 0.000 0.972 19 Q CA 1.241 56.961 55.803 -0.137 0.000 0.847 19 Q CB -0.072 28.630 28.738 -0.060 0.000 0.903 19 Q HN 0.376 nan 8.270 nan 0.000 0.433 20 A N 0.856 123.425 122.820 -0.418 0.000 1.930 20 A HA -0.147 4.195 4.320 0.037 0.000 0.217 20 A C 1.998 179.249 177.584 -0.554 0.000 1.175 20 A CA 0.998 52.656 52.037 -0.631 0.000 0.627 20 A CB -0.488 17.645 19.000 -1.446 0.000 0.815 20 A HN 0.278 nan 8.150 nan 0.000 0.443 21 I N -0.396 119.859 120.570 -0.524 0.000 2.252 21 I HA -0.227 3.966 4.170 0.037 0.000 0.245 21 I C 2.920 178.768 176.117 -0.449 0.000 1.102 21 I CA 0.984 62.032 61.300 -0.419 0.000 1.385 21 I CB -0.289 37.500 38.000 -0.353 0.000 1.064 21 I HN 0.345 nan 8.210 nan 0.000 0.414 22 A N 0.286 122.894 122.820 -0.353 0.000 2.019 22 A HA -0.214 4.129 4.320 0.037 0.000 0.219 22 A C 2.058 179.417 177.584 -0.374 0.000 1.164 22 A CA 1.661 53.500 52.037 -0.330 0.000 0.644 22 A CB -0.601 18.295 19.000 -0.173 0.000 0.805 22 A HN 0.468 nan 8.150 nan 0.000 0.449 23 N N -1.091 117.428 118.700 -0.301 0.000 2.336 23 N HA -0.078 4.684 4.740 0.037 0.000 0.189 23 N C -0.487 174.959 175.510 -0.105 0.000 1.113 23 N CA 0.183 53.130 53.050 -0.172 0.000 0.858 23 N CB -0.155 38.260 38.487 -0.120 0.000 0.970 23 N HN 0.513 nan 8.380 nan 0.000 0.471 24 H N -0.171 118.832 119.070 -0.112 0.000 2.770 24 H HA -0.158 4.421 4.556 0.037 0.000 0.309 24 H C -0.028 175.243 175.328 -0.095 0.000 1.206 24 H CA 0.565 56.552 56.048 -0.101 0.000 1.147 24 H CB -2.051 27.669 29.762 -0.069 0.000 1.422 24 H HN 0.345 nan 8.280 nan 0.000 0.420 25 I N 1.874 122.407 120.570 -0.060 0.000 2.683 25 I HA -0.079 4.114 4.170 0.037 0.000 0.286 25 I C 1.088 177.222 176.117 0.029 0.000 1.175 25 I CA 0.550 61.844 61.300 -0.010 0.000 1.429 25 I CB 0.411 38.386 38.000 -0.041 0.000 1.371 25 I HN 0.061 nan 8.210 nan 0.000 0.569 26 D N 5.650 126.061 120.400 0.019 0.000 2.339 26 D HA 0.074 4.736 4.640 0.037 0.000 0.245 26 D C 0.536 176.830 176.300 -0.010 0.000 1.115 26 D CA 0.100 54.023 54.000 -0.130 0.000 0.917 26 D CB 0.436 41.066 40.800 -0.284 0.000 1.192 26 D HN 0.532 nan 8.370 nan 0.000 0.428 27 H N -0.091 119.050 119.070 0.119 0.000 2.692 27 H HA -0.241 4.338 4.556 0.037 0.000 0.316 27 H C -0.362 175.068 175.328 0.170 0.000 1.176 27 H CA 0.360 56.489 56.048 0.135 0.000 1.142 27 H CB -2.169 27.715 29.762 0.204 0.000 1.475 27 H HN 0.310 nan 8.280 nan 0.000 0.423 28 F N 1.585 121.520 119.950 -0.025 0.000 2.411 28 F HA 0.378 4.933 4.527 0.046 0.000 0.350 28 F C 0.632 176.336 175.800 -0.158 0.000 1.114 28 F CA -0.428 57.570 58.000 -0.002 0.000 1.135 28 F CB 0.646 39.611 39.000 -0.058 0.000 1.120 28 F HN 0.122 nan 8.300 nan 0.000 0.495 29 H N 5.366 124.200 119.070 -0.394 0.000 2.679 29 H HA 0.626 5.207 4.556 0.042 0.000 0.367 29 H C -0.570 174.579 175.328 -0.297 0.000 1.162 29 H CA -0.839 55.092 56.048 -0.195 0.000 1.181 29 H CB 1.705 31.405 29.762 -0.102 0.000 1.693 29 H HN 0.575 nan 8.280 nan 0.000 0.538 30 I N -1.195 119.398 120.570 0.039 0.000 2.689 30 I HA 0.859 5.051 4.170 0.037 0.000 0.299 30 I C -0.242 175.946 176.117 0.118 0.000 1.059 30 I CA -1.127 60.204 61.300 0.051 0.000 1.055 30 I CB 2.506 40.574 38.000 0.114 0.000 1.243 30 I HN 0.668 nan 8.210 nan 0.000 0.425 31 G N 4.051 112.929 108.800 0.131 0.000 2.470 31 G HA2 0.656 4.638 3.960 0.037 0.000 0.320 31 G HA3 0.656 4.638 3.960 0.037 0.000 0.320 31 G C -0.831 174.154 174.900 0.141 0.000 1.245 31 G CA -0.698 44.492 45.100 0.151 0.000 0.935 31 G HN 0.973 nan 8.290 nan 0.000 0.476 32 V N 0.560 120.543 119.914 0.116 0.000 2.925 32 V HA 0.579 4.722 4.120 0.037 0.000 0.311 32 V C 1.172 177.301 176.094 0.058 0.000 1.104 32 V CA -1.129 61.219 62.300 0.080 0.000 0.954 32 V CB 1.940 33.815 31.823 0.086 0.000 1.022 32 V HN 0.793 nan 8.190 nan 0.000 0.427 33 R N 1.614 122.128 120.500 0.023 0.000 2.096 33 R HA 0.060 4.422 4.340 0.037 0.000 0.235 33 R C 0.147 176.460 176.300 0.022 0.000 1.127 33 R CA 1.471 57.585 56.100 0.023 0.000 0.968 33 R CB 0.186 30.484 30.300 -0.004 0.000 0.861 33 R HN 0.875 nan 8.270 nan 0.000 0.440 34 N N 0.312 119.020 118.700 0.014 0.000 2.540 34 N HA 0.036 4.798 4.740 0.037 0.000 0.275 34 N C 0.667 176.188 175.510 0.018 0.000 1.053 34 N CA 0.028 53.086 53.050 0.012 0.000 0.876 34 N CB 2.379 40.865 38.487 -0.003 0.000 1.284 34 N HN -0.021 nan 8.380 nan 0.000 0.518 35 V N 0.519 120.451 119.914 0.030 0.000 2.660 35 V HA -0.221 3.921 4.120 0.037 0.000 0.257 35 V C 1.317 177.426 176.094 0.027 0.000 1.088 35 V CA 1.578 63.902 62.300 0.040 0.000 1.106 35 V CB -0.398 31.453 31.823 0.048 0.000 0.686 35 V HN 0.427 nan 8.190 nan 0.000 0.481 36 E N 0.657 120.863 120.200 0.010 0.000 2.347 36 E HA -0.011 4.362 4.350 0.037 0.000 0.196 36 E C 1.596 178.185 176.600 -0.020 0.000 1.008 36 E CA 0.682 57.081 56.400 -0.002 0.000 0.852 36 E CB -0.260 29.436 29.700 -0.007 0.000 0.783 36 E HN 0.656 nan 8.360 nan 0.000 0.505 37 K N 0.857 121.243 120.400 -0.024 0.000 2.862 37 K HA 0.158 4.500 4.320 0.037 0.000 0.229 37 K C -0.732 175.824 176.600 -0.073 0.000 1.107 37 K CA -0.095 56.160 56.287 -0.053 0.000 1.222 37 K CB 0.554 33.022 32.500 -0.054 0.000 1.067 37 K HN -0.057 nan 8.250 nan 0.000 0.464 38 V N 2.512 122.394 119.914 -0.053 0.000 2.427 38 V HA 0.187 4.329 4.120 0.037 0.000 0.286 38 V C -2.185 173.806 176.094 -0.173 0.000 1.034 38 V CA -2.370 59.894 62.300 -0.061 0.000 0.893 38 V CB 1.290 33.159 31.823 0.075 0.000 0.982 38 V HN 0.153 nan 8.190 nan 0.000 0.452 39 P HA 0.038 nan 4.420 nan 0.000 0.264 39 P C 0.360 177.514 177.300 -0.244 0.000 1.183 39 P CA 0.119 62.920 63.100 -0.499 0.000 0.763 39 P CB 0.470 31.496 31.700 -1.123 0.000 0.807 40 D N 1.996 122.304 120.400 -0.153 0.000 2.221 40 D HA -0.146 4.516 4.640 0.037 0.000 0.204 40 D C 0.743 177.041 176.300 -0.005 0.000 0.982 40 D CA 1.420 55.387 54.000 -0.054 0.000 0.857 40 D CB -0.228 40.544 40.800 -0.046 0.000 0.934 40 D HN 0.460 nan 8.370 nan 0.000 0.475 41 D N -0.586 119.793 120.400 -0.035 0.000 2.310 41 D HA -0.119 4.543 4.640 0.037 0.000 0.212 41 D C 1.472 177.935 176.300 0.272 0.000 0.965 41 D CA 0.482 54.527 54.000 0.076 0.000 0.879 41 D CB -0.179 40.653 40.800 0.054 0.000 0.921 41 D HN 0.336 nan 8.370 nan 0.000 0.510 42 W N 1.084 122.383 121.300 -0.002 0.000 2.942 42 W HA 0.174 4.855 4.660 0.034 0.000 0.263 42 W C 0.343 176.871 176.519 0.015 0.000 1.296 42 W CA -0.453 56.896 57.345 0.007 0.000 1.504 42 W CB -0.238 29.232 29.460 0.017 0.000 1.096 42 W HN -0.224 nan 8.180 nan 0.000 0.639 43 R N 1.194 121.828 120.500 0.223 0.000 2.480 43 R HA 0.189 4.551 4.340 0.037 0.000 0.303 43 R C 1.338 177.702 176.300 0.106 0.000 0.985 43 R CA 1.161 57.343 56.100 0.137 0.000 1.051 43 R CB -0.678 29.673 30.300 0.084 0.000 0.935 43 R HN 0.362 nan 8.270 nan 0.000 0.410 44 G N 2.817 111.671 108.800 0.090 0.000 2.199 44 G HA2 -0.353 3.629 3.960 0.037 0.000 0.254 44 G HA3 -0.353 3.629 3.960 0.037 0.000 0.254 44 G C 0.869 175.803 174.900 0.056 0.000 0.982 44 G CA 0.496 45.634 45.100 0.064 0.000 0.632 44 G HN 0.570 nan 8.290 nan 0.000 0.529 45 K N -0.369 120.071 120.400 0.068 0.000 2.334 45 K HA 0.460 4.802 4.320 0.037 0.000 0.195 45 K C 0.851 177.453 176.600 0.005 0.000 1.045 45 K CA 1.127 57.434 56.287 0.033 0.000 1.004 45 K CB 1.067 33.583 32.500 0.026 0.000 0.837 45 K HN 0.870 nan 8.250 nan 0.000 0.510 46 V N -2.257 117.675 119.914 0.030 0.000 3.114 46 V HA 0.462 4.604 4.120 0.037 0.000 0.308 46 V C -0.617 175.492 176.094 0.025 0.000 1.168 46 V CA -1.097 61.222 62.300 0.031 0.000 1.015 46 V CB 2.052 33.908 31.823 0.055 0.000 1.050 46 V HN -0.144 nan 8.190 nan 0.000 0.433 47 S N 1.556 117.223 115.700 -0.055 0.000 2.545 47 S HA 0.700 5.192 4.470 0.037 0.000 0.275 47 S C -0.237 174.405 174.600 0.071 0.000 1.299 47 S CA -0.433 57.747 58.200 -0.033 0.000 1.048 47 S CB 1.287 64.371 63.200 -0.193 0.000 0.938 47 S HN 0.805 nan 8.310 nan 0.000 0.496 48 V N 4.526 124.504 119.914 0.107 0.000 2.555 48 V HA 0.567 4.709 4.120 0.037 0.000 0.302 48 V C 0.046 176.216 176.094 0.127 0.000 1.038 48 V CA -0.744 61.633 62.300 0.129 0.000 0.887 48 V CB 1.559 33.459 31.823 0.127 0.000 0.991 48 V HN 0.764 nan 8.190 nan 0.000 0.434 49 R N 2.220 122.797 120.500 0.129 0.000 2.744 49 R HA 0.441 4.804 4.340 0.037 0.000 0.279 49 R C -0.981 175.378 176.300 0.097 0.000 0.977 49 R CA -0.889 55.278 56.100 0.112 0.000 0.906 49 R CB 2.313 32.685 30.300 0.121 0.000 1.197 49 R HN 0.650 nan 8.270 nan 0.000 0.463 50 Q N 3.142 122.987 119.800 0.075 0.000 2.304 50 Q HA 0.295 4.657 4.340 0.037 0.000 0.260 50 Q C -1.267 174.770 176.000 0.062 0.000 0.965 50 Q CA 0.277 56.118 55.803 0.064 0.000 0.898 50 Q CB 1.029 29.795 28.738 0.047 0.000 1.196 50 Q HN 0.595 nan 8.270 nan 0.000 0.402 51 L N 4.232 125.500 121.223 0.075 0.000 2.614 51 L HA 0.350 4.712 4.340 0.037 0.000 0.264 51 L C -1.715 175.229 176.870 0.124 0.000 0.940 51 L CA -0.432 54.459 54.840 0.086 0.000 0.903 51 L CB 2.013 44.148 42.059 0.127 0.000 1.306 51 L HN 0.568 nan 8.230 nan 0.000 0.410 52 D N 3.219 123.689 120.400 0.115 0.000 2.425 52 D HA 0.197 4.859 4.640 0.037 0.000 0.240 52 D C 0.588 177.022 176.300 0.223 0.000 1.080 52 D CA -0.135 53.958 54.000 0.156 0.000 0.836 52 D CB 1.180 42.046 40.800 0.110 0.000 1.125 52 D HN 0.535 nan 8.370 nan 0.000 0.525 53 Y N 2.031 122.330 120.300 -0.003 0.000 2.298 53 Y HA -0.214 4.371 4.550 0.058 0.000 0.287 53 Y C 1.162 176.805 175.900 -0.428 0.000 1.164 53 Y CA 0.637 58.625 58.100 -0.185 0.000 1.229 53 Y CB 0.146 38.437 38.460 -0.281 0.000 0.977 53 Y HN 0.372 nan 8.280 nan 0.000 0.538 54 F N -0.574 119.475 119.950 0.164 0.000 2.750 54 F HA 0.172 4.739 4.527 0.067 0.000 0.297 54 F C 0.374 176.182 175.800 0.013 0.000 1.138 54 F CA -0.141 57.897 58.000 0.063 0.000 1.346 54 F CB 0.153 39.175 39.000 0.038 0.000 0.965 54 F HN -0.081 nan 8.300 nan 0.000 0.514 55 N N 1.339 120.093 118.700 0.089 0.000 2.617 55 N HA 0.052 4.814 4.740 0.037 0.000 0.263 55 N C 0.766 176.254 175.510 -0.038 0.000 1.074 55 N CA 0.095 53.164 53.050 0.032 0.000 0.841 55 N CB 1.031 39.544 38.487 0.043 0.000 1.221 55 N HN 0.281 nan 8.380 nan 0.000 0.529 56 Q N 1.602 121.355 119.800 -0.078 0.000 2.112 56 Q HA -0.211 4.151 4.340 0.037 0.000 0.206 56 Q C 1.390 177.334 176.000 -0.093 0.000 0.987 56 Q CA 1.757 57.483 55.803 -0.129 0.000 0.858 56 Q CB 0.192 28.791 28.738 -0.233 0.000 0.905 56 Q HN 0.723 nan 8.270 nan 0.000 0.420 57 E N 0.359 120.520 120.200 -0.065 0.000 2.085 57 E HA -0.151 4.221 4.350 0.037 0.000 0.194 57 E C 0.705 177.277 176.600 -0.046 0.000 0.994 57 E CA 0.884 57.263 56.400 -0.034 0.000 0.801 57 E CB -0.093 29.595 29.700 -0.020 0.000 0.743 57 E HN 0.389 nan 8.360 nan 0.000 0.453 61 E N 2.086 122.255 120.200 -0.052 0.000 2.072 61 E HA -0.056 4.317 4.350 0.037 0.000 0.191 61 E C 2.001 178.607 176.600 0.010 0.000 0.985 61 E CA 2.055 58.450 56.400 -0.009 0.000 0.801 61 E CB -0.240 29.458 29.700 -0.003 0.000 0.750 61 E HN 0.621 nan 8.360 nan 0.000 0.452 62 A N -0.179 122.624 122.820 -0.029 0.000 2.019 62 A HA -0.114 4.228 4.320 0.037 0.000 0.219 62 A C 1.644 179.365 177.584 0.228 0.000 1.164 62 A CA 1.137 53.207 52.037 0.054 0.000 0.644 62 A CB -0.648 18.361 19.000 0.016 0.000 0.805 62 A HN 0.339 nan 8.150 nan 0.000 0.449 63 F N 0.300 120.236 119.950 -0.023 0.000 2.789 63 F HA 0.173 4.808 4.527 0.180 0.000 0.300 63 F C 0.804 176.567 175.800 -0.063 0.000 1.132 63 F CA -0.394 57.576 58.000 -0.051 0.000 1.404 63 F CB -0.573 38.403 39.000 -0.041 0.000 1.114 63 F HN 0.115 nan 8.300 nan 0.000 0.584 64 K N 0.938 121.417 120.400 0.131 0.000 2.472 64 K HA 0.310 4.652 4.320 0.037 0.000 0.280 64 K C 0.943 177.546 176.600 0.004 0.000 1.028 64 K CA 0.737 57.056 56.287 0.054 0.000 1.045 64 K CB -0.177 32.345 32.500 0.037 0.000 0.902 64 K HN 0.332 nan 8.250 nan 0.000 0.478 68 T N 1.653 116.136 114.554 -0.118 0.000 2.841 68 T HA 0.590 4.962 4.350 0.037 0.000 0.285 68 T C -0.403 174.115 174.700 -0.304 0.000 0.991 68 T CA -0.365 61.605 62.100 -0.215 0.000 0.966 68 T CB 2.831 71.584 68.868 -0.191 0.000 0.962 68 T HN -0.242 nan 8.240 nan 0.000 0.438 69 V N 4.063 123.736 119.914 -0.401 0.000 2.398 69 V HA 0.449 4.591 4.120 0.037 0.000 0.286 69 V C -0.181 175.749 176.094 -0.273 0.000 1.026 69 V CA -0.713 61.343 62.300 -0.406 0.000 0.868 69 V CB 1.836 33.260 31.823 -0.665 0.000 0.982 69 V HN 0.703 nan 8.190 nan 0.000 0.443 70 V N 5.929 125.743 119.914 -0.167 0.000 2.328 70 V HA 0.376 4.518 4.120 0.037 0.000 0.278 70 V C -0.481 175.616 176.094 0.005 0.000 1.021 70 V CA -0.414 61.833 62.300 -0.089 0.000 0.838 70 V CB 1.033 32.820 31.823 -0.060 0.000 0.999 70 V HN 0.692 nan 8.190 nan 0.000 0.447 71 F N 6.373 126.243 119.950 -0.134 0.000 2.404 71 F HA 0.635 5.187 4.527 0.041 0.000 0.354 71 F C -0.032 175.641 175.800 -0.213 0.000 1.122 71 F CA -0.681 57.238 58.000 -0.135 0.000 1.080 71 F CB 0.926 39.855 39.000 -0.119 0.000 1.131 71 F HN 0.340 nan 8.300 nan 0.000 0.471 72 I N 8.576 128.735 120.570 -0.685 0.000 2.328 72 I HA 0.295 4.487 4.170 0.037 0.000 0.287 72 I C -2.224 173.581 176.117 -0.519 0.000 1.012 72 I CA -2.159 58.884 61.300 -0.428 0.000 1.195 72 I CB 1.187 39.094 38.000 -0.156 0.000 1.350 72 I HN 0.432 nan 8.210 nan 0.000 0.464 73 P HA -0.013 nan 4.420 nan 0.000 0.267 73 P C -0.026 177.339 177.300 0.108 0.000 1.201 73 P CA 0.029 63.187 63.100 0.097 0.000 0.775 73 P CB 0.523 32.441 31.700 0.364 0.000 0.854 74 S N 1.932 117.738 115.700 0.176 0.000 2.632 74 S HA 0.244 4.737 4.470 0.037 0.000 0.267 74 S C 1.129 175.770 174.600 0.068 0.000 1.193 74 S CA -0.343 57.906 58.200 0.081 0.000 1.003 74 S CB -0.056 63.232 63.200 0.147 0.000 1.073 74 S HN 0.511 nan 8.310 nan 0.000 0.553 75 I N -1.863 118.750 120.570 0.073 0.000 3.976 75 I HA 0.409 4.601 4.170 0.037 0.000 0.337 75 I C -0.363 175.847 176.117 0.156 0.000 1.359 75 I CA -0.599 60.769 61.300 0.112 0.000 1.098 75 I CB -0.091 37.974 38.000 0.110 0.000 1.027 75 I HN 0.296 nan 8.210 nan 0.000 0.394 76 I N 4.848 125.484 120.570 0.109 0.000 2.775 76 I HA 0.009 4.201 4.170 0.037 0.000 0.290 76 I C 0.380 176.563 176.117 0.110 0.000 1.203 76 I CA 0.912 62.259 61.300 0.078 0.000 1.433 76 I CB -0.513 37.528 38.000 0.067 0.000 1.354 76 I HN 0.457 nan 8.210 nan 0.000 0.579 77 H N 6.294 125.376 119.070 0.020 0.000 2.928 77 H HA 0.629 5.208 4.556 0.037 0.000 0.371 77 H C -3.005 172.351 175.328 0.048 0.000 1.186 77 H CA -1.888 54.181 56.048 0.036 0.000 1.134 77 H CB 1.397 31.213 29.762 0.091 0.000 1.824 77 H HN 0.281 nan 8.280 nan 0.000 0.554 78 P HA 0.174 nan 4.420 nan 0.000 0.307 78 P C 0.652 178.008 177.300 0.093 0.000 1.306 78 P CA -0.504 62.687 63.100 0.152 0.000 0.742 78 P CB 0.923 32.692 31.700 0.115 0.000 1.349 79 S N -1.149 114.599 115.700 0.080 0.000 2.374 79 S HA -0.185 4.307 4.470 0.037 0.000 0.227 79 S C 1.644 176.302 174.600 0.097 0.000 1.037 79 S CA 1.299 59.549 58.200 0.083 0.000 1.024 79 S CB -1.108 62.154 63.200 0.103 0.000 0.861 79 S HN 0.474 nan 8.310 nan 0.000 0.456 80 F N 2.221 122.157 119.950 -0.023 0.000 2.161 80 F HA -0.098 4.459 4.527 0.050 0.000 0.300 80 F C 1.945 177.739 175.800 -0.011 0.000 1.089 80 F CA 1.359 59.336 58.000 -0.038 0.000 1.282 80 F CB -0.151 38.825 39.000 -0.039 0.000 1.010 80 F HN 0.068 nan 8.300 nan 0.000 0.485 81 K N -0.581 119.832 120.400 0.022 0.000 2.296 81 K HA -0.064 4.279 4.320 0.037 0.000 0.200 81 K C 2.204 178.827 176.600 0.037 0.000 1.048 81 K CA 0.595 56.852 56.287 -0.050 0.000 0.966 81 K CB -0.054 32.422 32.500 -0.039 0.000 0.754 81 K HN 0.217 nan 8.250 nan 0.000 0.466 82 R N 0.775 121.295 120.500 0.034 0.000 2.173 82 R HA 0.053 4.415 4.340 0.037 0.000 0.208 82 R C 1.946 178.338 176.300 0.153 0.000 1.035 82 R CA 0.239 56.382 56.100 0.071 0.000 1.004 82 R CB 0.180 30.299 30.300 -0.302 0.000 0.917 82 R HN 0.024 nan 8.270 nan 0.000 0.462 83 I N 1.834 122.462 120.570 0.097 0.000 2.181 83 I HA -0.226 3.967 4.170 0.037 0.000 0.247 83 I C -0.821 175.273 176.117 -0.038 0.000 1.081 83 I CA 1.687 62.978 61.300 -0.015 0.000 1.340 83 I CB -1.989 35.772 38.000 -0.398 0.000 1.036 83 I HN 0.086 nan 8.210 nan 0.000 0.417 84 P HA -0.199 nan 4.420 nan 0.000 0.217 84 P C 1.544 178.758 177.300 -0.143 0.000 1.148 84 P CA 1.642 64.703 63.100 -0.065 0.000 0.828 84 P CB -0.183 31.547 31.700 0.049 0.000 0.783 85 E N -0.622 119.449 120.200 -0.215 0.000 2.153 85 E HA -0.138 4.234 4.350 0.037 0.000 0.194 85 E C 1.938 178.428 176.600 -0.184 0.000 0.988 85 E CA 1.040 57.266 56.400 -0.289 0.000 0.811 85 E CB -1.136 28.447 29.700 -0.195 0.000 0.746 85 E HN 0.087 nan 8.360 nan 0.000 0.466 86 V N 1.173 121.062 119.914 -0.043 0.000 2.591 86 V HA -0.140 4.002 4.120 0.037 0.000 0.249 86 V C 2.063 178.079 176.094 -0.130 0.000 1.053 86 V CA 1.613 63.827 62.300 -0.143 0.000 1.068 86 V CB -0.049 31.742 31.823 -0.054 0.000 0.689 86 V HN 0.211 nan 8.190 nan 0.000 0.462 87 E N 0.564 120.733 120.200 -0.052 0.000 2.077 87 E HA -0.173 4.199 4.350 0.037 0.000 0.193 87 E C 2.020 178.594 176.600 -0.042 0.000 0.989 87 E CA 1.342 57.731 56.400 -0.019 0.000 0.800 87 E CB -0.386 29.310 29.700 -0.007 0.000 0.746 87 E HN 0.612 nan 8.360 nan 0.000 0.452 88 N N 1.048 119.683 118.700 -0.107 0.000 2.188 88 N HA -0.134 4.629 4.740 0.037 0.000 0.184 88 N C 1.959 177.417 175.510 -0.087 0.000 1.018 88 N CA 0.445 53.431 53.050 -0.107 0.000 0.858 88 N CB -0.424 37.955 38.487 -0.180 0.000 0.989 88 N HN 0.117 nan 8.380 nan 0.000 0.426 89 L N 0.952 122.062 121.223 -0.188 0.000 1.989 89 L HA -0.102 4.260 4.340 0.037 0.000 0.211 89 L C 1.955 178.828 176.870 0.004 0.000 1.071 89 L CA 1.508 56.259 54.840 -0.149 0.000 0.749 89 L CB -0.736 40.993 42.059 -0.550 0.000 0.890 89 L HN -0.093 nan 8.230 nan 0.000 0.431 90 V N -0.988 118.889 119.914 -0.062 0.000 2.358 90 V HA -0.309 3.834 4.120 0.037 0.000 0.246 90 V C 2.305 178.411 176.094 0.020 0.000 1.047 90 V CA 2.017 64.292 62.300 -0.040 0.000 1.035 90 V CB -1.000 30.773 31.823 -0.085 0.000 0.658 90 V HN 0.648 nan 8.190 nan 0.000 0.452 91 Y N 1.417 121.683 120.300 -0.058 0.000 2.145 91 Y HA -0.235 4.195 4.550 -0.199 0.000 0.286 91 Y C 2.412 178.302 175.900 -0.016 0.000 1.145 91 Y CA 1.810 59.884 58.100 -0.043 0.000 1.148 91 Y CB -0.514 37.912 38.460 -0.058 0.000 0.981 91 Y HN 0.149 nan 8.280 nan 0.000 0.507 92 A N 0.341 123.260 122.820 0.166 0.000 1.930 92 A HA -0.091 4.252 4.320 0.037 0.000 0.217 92 A C 2.392 180.118 177.584 0.237 0.000 1.175 92 A CA 1.763 53.864 52.037 0.107 0.000 0.627 92 A CB -1.477 17.420 19.000 -0.172 0.000 0.815 92 A HN 0.611 nan 8.150 nan 0.000 0.443 93 A N -0.125 122.867 122.820 0.286 0.000 1.902 93 A HA -0.164 4.179 4.320 0.037 0.000 0.217 93 A C 2.133 179.729 177.584 0.020 0.000 1.181 93 A CA 1.829 53.959 52.037 0.156 0.000 0.623 93 A CB -0.414 18.602 19.000 0.026 0.000 0.818 93 A HN 0.538 nan 8.150 nan 0.000 0.443 94 K N -1.127 119.242 120.400 -0.051 0.000 2.025 94 K HA -0.185 4.158 4.320 0.037 0.000 0.207 94 K C 2.414 178.935 176.600 -0.131 0.000 1.049 94 K CA 1.571 57.794 56.287 -0.106 0.000 0.933 94 K CB -0.168 32.235 32.500 -0.162 0.000 0.714 94 K HN 0.447 nan 8.250 nan 0.000 0.438 95 Q N 0.933 120.608 119.800 -0.209 0.000 2.096 95 Q HA -0.072 4.290 4.340 0.037 0.000 0.204 95 Q C 1.433 177.394 176.000 -0.065 0.000 0.982 95 Q CA 1.853 57.542 55.803 -0.189 0.000 0.850 95 Q CB -0.025 28.555 28.738 -0.263 0.000 0.901 95 Q HN 0.069 nan 8.270 nan 0.000 0.422 96 S N -1.014 114.685 115.700 -0.002 0.000 2.605 96 S HA 0.306 4.798 4.470 0.037 0.000 0.217 96 S C 0.673 175.283 174.600 0.015 0.000 0.958 96 S CA 0.391 58.612 58.200 0.035 0.000 0.919 96 S CB 0.247 63.517 63.200 0.116 0.000 0.780 96 S HN 0.656 nan 8.310 nan 0.000 0.507 97 G N 1.623 110.419 108.800 -0.008 0.000 2.246 97 G HA2 -0.239 3.744 3.960 0.037 0.000 0.273 97 G HA3 -0.239 3.744 3.960 0.037 0.000 0.273 97 G C 0.039 174.926 174.900 -0.022 0.000 1.055 97 G CA -0.062 45.029 45.100 -0.016 0.000 0.851 97 G HN 0.401 nan 8.290 nan 0.000 0.500 98 V N 0.040 119.931 119.914 -0.038 0.000 2.572 98 V HA 0.431 4.574 4.120 0.037 0.000 0.291 98 V C 1.586 177.654 176.094 -0.043 0.000 1.039 98 V CA 0.904 63.153 62.300 -0.086 0.000 1.055 98 V CB 1.211 32.917 31.823 -0.195 0.000 0.969 98 V HN 0.894 nan 8.190 nan 0.000 0.482 99 A N 3.932 126.746 122.820 -0.010 0.000 2.095 99 A HA 0.118 4.460 4.320 0.037 0.000 0.212 99 A C 0.867 178.523 177.584 0.120 0.000 1.162 99 A CA 0.556 52.626 52.037 0.055 0.000 0.753 99 A CB -0.048 19.002 19.000 0.083 0.000 0.840 99 A HN 0.895 nan 8.150 nan 0.000 0.468 100 H N -1.178 117.839 119.070 -0.089 0.000 2.954 100 H HA 0.609 5.190 4.556 0.041 0.000 0.361 100 H C -2.081 173.125 175.328 -0.204 0.000 1.122 100 H CA -0.755 55.206 56.048 -0.145 0.000 1.217 100 H CB 1.387 30.972 29.762 -0.295 0.000 1.776 100 H HN 0.116 nan 8.280 nan 0.000 0.533 101 I N 6.285 126.547 120.570 -0.514 0.000 2.436 101 I HA 0.275 4.468 4.170 0.037 0.000 0.289 101 I C -0.327 175.485 176.117 -0.509 0.000 1.010 101 I CA -0.715 60.320 61.300 -0.443 0.000 1.098 101 I CB 2.131 40.055 38.000 -0.127 0.000 1.266 101 I HN 0.416 nan 8.210 nan 0.000 0.434 102 I N 6.187 126.492 120.570 -0.442 0.000 2.330 102 I HA 0.281 4.473 4.170 0.037 0.000 0.289 102 I C -0.860 175.273 176.117 0.027 0.000 1.001 102 I CA -0.436 60.738 61.300 -0.209 0.000 1.193 102 I CB 1.160 39.025 38.000 -0.225 0.000 1.345 102 I HN 0.403 nan 8.210 nan 0.000 0.461 103 F N 7.763 127.700 119.950 -0.022 0.000 2.427 103 F HA 0.495 5.036 4.527 0.023 0.000 0.346 103 F C -0.223 175.508 175.800 -0.114 0.000 1.120 103 F CA -0.806 57.193 58.000 -0.001 0.000 1.033 103 F CB 0.920 39.911 39.000 -0.016 0.000 1.126 103 F HN 0.176 nan 8.300 nan 0.000 0.462 104 I N 6.231 126.576 120.570 -0.375 0.000 2.281 104 I HA 0.296 4.489 4.170 0.037 0.000 0.293 104 I C 0.643 176.692 176.117 -0.113 0.000 1.085 104 I CA -0.123 61.065 61.300 -0.186 0.000 1.257 104 I CB -0.036 37.904 38.000 -0.101 0.000 1.430 104 I HN 0.659 nan 8.210 nan 0.000 0.489 105 G N 5.352 114.163 108.800 0.018 0.000 2.509 105 G HA2 0.407 4.390 3.960 0.037 0.000 0.328 105 G HA3 0.407 4.390 3.960 0.037 0.000 0.328 105 G C -1.520 173.376 174.900 -0.006 0.000 1.194 105 G CA -0.328 44.931 45.100 0.265 0.000 0.967 105 G HN 0.369 nan 8.290 nan 0.000 0.488 106 Y N 0.650 120.521 120.300 -0.714 0.000 2.352 106 Y HA 0.323 4.895 4.550 0.036 0.000 0.326 106 Y C 1.321 177.079 175.900 -0.238 0.000 1.166 106 Y CA -1.628 56.107 58.100 -0.608 0.000 1.182 106 Y CB 1.176 39.108 38.460 -0.880 0.000 1.216 106 Y HN 0.631 nan 8.280 nan 0.000 0.474 107 Y N 1.961 121.841 120.300 -0.701 0.000 2.632 107 Y HA 0.389 4.961 4.550 0.036 0.000 0.301 107 Y C 0.593 176.174 175.900 -0.533 0.000 1.172 107 Y CA -0.079 57.715 58.100 -0.511 0.000 1.328 107 Y CB -0.054 38.155 38.460 -0.418 0.000 1.016 107 Y HN 0.556 nan 8.280 nan 0.000 0.529 108 A N 2.534 124.997 122.820 -0.595 0.000 3.126 108 A HA 0.148 4.490 4.320 0.037 0.000 0.268 108 A C -0.234 177.373 177.584 0.038 0.000 1.605 108 A CA -0.151 51.655 52.037 -0.385 0.000 1.305 108 A CB -0.935 17.851 19.000 -0.358 0.000 1.160 108 A HN 0.643 nan 8.150 nan 0.000 0.609 109 D N -0.604 119.805 120.400 0.014 0.000 2.582 109 D HA 0.138 4.800 4.640 0.037 0.000 0.246 109 D C 0.106 176.456 176.300 0.085 0.000 1.334 109 D CA -0.158 53.936 54.000 0.157 0.000 0.805 109 D CB -0.415 40.522 40.800 0.229 0.000 1.087 109 D HN 0.384 nan 8.370 nan 0.000 0.499 110 Q N 0.568 120.364 119.800 -0.007 0.000 2.454 110 Q HA 0.119 4.481 4.340 0.037 0.000 0.247 110 Q C 1.754 177.730 176.000 -0.039 0.000 1.028 110 Q CA -0.174 55.604 55.803 -0.042 0.000 0.910 110 Q CB 0.489 29.131 28.738 -0.161 0.000 1.276 110 Q HN 0.336 nan 8.270 nan 0.000 0.489 111 H N 0.778 119.857 119.070 0.016 0.000 2.489 111 H HA -0.118 4.460 4.556 0.036 0.000 0.295 111 H C 0.092 175.437 175.328 0.030 0.000 1.082 111 H CA 1.565 57.628 56.048 0.025 0.000 1.295 111 H CB 0.079 29.846 29.762 0.009 0.000 1.380 111 H HN 0.671 nan 8.280 nan 0.000 0.548 112 N N 0.355 118.743 118.700 -0.521 0.000 2.338 112 N HA -0.036 4.726 4.740 0.037 0.000 0.251 112 N C -0.522 174.892 175.510 -0.160 0.000 1.199 112 N CA -0.421 52.458 53.050 -0.285 0.000 0.879 112 N CB -0.327 37.938 38.487 -0.371 0.000 1.159 112 N HN 0.133 nan 8.380 nan 0.000 0.514 113 N N 2.404 121.047 118.700 -0.095 0.000 2.422 113 N HA 0.168 4.930 4.740 0.037 0.000 0.264 113 N C -1.635 173.924 175.510 0.082 0.000 1.063 113 N CA -1.254 51.780 53.050 -0.027 0.000 0.959 113 N CB 1.707 40.191 38.487 -0.006 0.000 1.087 113 N HN 0.071 nan 8.380 nan 0.000 0.483 114 P HA -0.042 nan 4.420 nan 0.000 0.242 114 P C 0.327 177.825 177.300 0.330 0.000 1.197 114 P CA -0.044 63.178 63.100 0.204 0.000 0.765 114 P CB -0.103 31.735 31.700 0.230 0.000 0.936 115 F N 2.964 122.995 119.950 0.136 0.000 2.578 115 F HA 0.087 4.637 4.527 0.037 0.000 0.381 115 F C 1.115 177.096 175.800 0.302 0.000 1.069 115 F CA -0.729 57.371 58.000 0.167 0.000 1.231 115 F CB -0.184 38.897 39.000 0.134 0.000 1.086 115 F HN -0.056 nan 8.300 nan 0.000 0.564 119 P HA -0.047 nan 4.420 nan 0.000 0.216 119 P C 1.377 178.786 177.300 0.182 0.000 1.150 119 P CA 1.324 64.528 63.100 0.174 0.000 0.837 119 P CB -0.283 31.489 31.700 0.119 0.000 0.786 120 Y N -0.641 119.674 120.300 0.024 0.000 2.145 120 Y HA -0.211 4.355 4.550 0.028 0.000 0.286 120 Y C 1.922 177.809 175.900 -0.023 0.000 1.145 120 Y CA 1.593 59.640 58.100 -0.089 0.000 1.148 120 Y CB -0.975 37.320 38.460 -0.275 0.000 0.981 120 Y HN -0.185 nan 8.280 nan 0.000 0.507 121 F N 0.069 120.189 119.950 0.284 0.000 2.259 121 F HA 0.036 4.588 4.527 0.041 0.000 0.298 121 F C 2.613 178.470 175.800 0.094 0.000 1.088 121 F CA 1.324 59.468 58.000 0.239 0.000 1.358 121 F CB -1.123 38.152 39.000 0.458 0.000 1.040 121 F HN 0.127 nan 8.300 nan 0.000 0.505 122 G N -1.447 107.502 108.800 0.249 0.000 2.402 122 G HA2 -0.316 3.667 3.960 0.037 0.000 0.216 122 G HA3 -0.316 3.667 3.960 0.037 0.000 0.216 122 G C 1.598 176.513 174.900 0.026 0.000 1.162 122 G CA 0.640 45.810 45.100 0.116 0.000 0.777 122 G HN 0.385 nan 8.290 nan 0.000 0.539 123 Y N 1.938 122.174 120.300 -0.106 0.000 2.200 123 Y HA 0.048 4.614 4.550 0.027 0.000 0.290 123 Y C 2.928 178.654 175.900 -0.289 0.000 1.137 123 Y CA 1.351 59.350 58.100 -0.169 0.000 1.163 123 Y CB -0.298 38.077 38.460 -0.142 0.000 0.988 123 Y HN 0.248 nan 8.280 nan 0.000 0.518 124 A N -0.913 121.790 122.820 -0.196 0.000 1.883 124 A HA -0.240 4.102 4.320 0.037 0.000 0.217 124 A C 2.498 179.779 177.584 -0.505 0.000 1.186 124 A CA 2.095 53.861 52.037 -0.452 0.000 0.624 124 A CB -1.531 17.032 19.000 -0.728 0.000 0.822 124 A HN 0.505 nan 8.150 nan 0.000 0.444 125 S N -0.628 114.825 115.700 -0.411 0.000 2.359 125 S HA -0.224 4.268 4.470 0.037 0.000 0.224 125 S C 2.204 176.533 174.600 -0.450 0.000 1.035 125 S CA 1.749 59.605 58.200 -0.572 0.000 1.018 125 S CB -0.331 62.430 63.200 -0.731 0.000 0.876 125 S HN 0.615 nan 8.310 nan 0.000 0.448 126 R N -0.039 120.242 120.500 -0.365 0.000 2.075 126 R HA 0.013 4.375 4.340 0.037 0.000 0.232 126 R C 2.346 178.411 176.300 -0.391 0.000 1.126 126 R CA 1.393 57.297 56.100 -0.326 0.000 0.963 126 R CB -0.574 29.555 30.300 -0.285 0.000 0.858 126 R HN 0.359 nan 8.270 nan 0.000 0.435 127 L N 1.066 121.995 121.223 -0.491 0.000 2.046 127 L HA -0.139 4.223 4.340 0.037 0.000 0.208 127 L C 1.942 178.562 176.870 -0.417 0.000 1.077 127 L CA 1.583 56.146 54.840 -0.462 0.000 0.747 127 L CB -0.271 41.508 42.059 -0.468 0.000 0.896 127 L HN 0.143 nan 8.230 nan 0.000 0.432 128 L N -1.522 119.371 121.223 -0.551 0.000 2.046 128 L HA -0.232 4.131 4.340 0.037 0.000 0.208 128 L C 2.714 179.174 176.870 -0.684 0.000 1.077 128 L CA 1.557 55.947 54.840 -0.750 0.000 0.747 128 L CB -0.780 40.534 42.059 -1.241 0.000 0.896 128 L HN 0.334 nan 8.230 nan 0.000 0.432 129 S N -0.643 114.743 115.700 -0.523 0.000 2.370 129 S HA -0.218 4.275 4.470 0.037 0.000 0.226 129 S C 2.091 176.624 174.600 -0.111 0.000 1.033 129 S CA 2.058 60.171 58.200 -0.145 0.000 1.011 129 S CB -0.329 62.828 63.200 -0.071 0.000 0.852 129 S HN 0.658 nan 8.310 nan 0.000 0.457 130 T N -0.313 114.137 114.554 -0.173 0.000 2.995 130 T HA -0.015 4.357 4.350 0.037 0.000 0.269 130 T C 1.958 176.593 174.700 -0.109 0.000 1.091 130 T CA 1.437 63.459 62.100 -0.130 0.000 1.128 130 T CB -0.678 68.097 68.868 -0.155 0.000 0.891 130 T HN 0.508 nan 8.240 nan 0.000 0.492 131 S N 1.067 116.686 115.700 -0.136 0.000 2.402 131 S HA 0.239 4.731 4.470 0.037 0.000 0.229 131 S C 2.228 176.796 174.600 -0.053 0.000 1.021 131 S CA 1.027 59.165 58.200 -0.104 0.000 0.974 131 S CB -1.143 61.976 63.200 -0.136 0.000 0.800 131 S HN 1.400 nan 8.310 nan 0.000 0.484 132 G N 0.825 109.612 108.800 -0.021 0.000 2.176 132 G HA2 -0.229 3.753 3.960 0.037 0.000 0.253 132 G HA3 -0.229 3.753 3.960 0.037 0.000 0.253 132 G C 0.065 174.991 174.900 0.043 0.000 0.979 132 G CA 0.256 45.364 45.100 0.013 0.000 0.641 132 G HN 0.613 nan 8.290 nan 0.000 0.530 133 I N 1.837 122.435 120.570 0.046 0.000 2.428 133 I HA 0.263 4.455 4.170 0.037 0.000 0.289 133 I C -0.115 176.121 176.117 0.199 0.000 1.019 133 I CA -0.920 60.427 61.300 0.078 0.000 1.351 133 I CB 0.761 38.776 38.000 0.026 0.000 1.412 133 I HN -0.048 nan 8.210 nan 0.000 0.513 134 D N 5.857 126.373 120.400 0.193 0.000 2.455 134 D HA 0.170 4.833 4.640 0.037 0.000 0.241 134 D C -0.779 175.749 176.300 0.380 0.000 1.138 134 D CA 0.746 54.895 54.000 0.247 0.000 0.877 134 D CB 0.617 41.541 40.800 0.207 0.000 1.187 134 D HN 0.379 nan 8.370 nan 0.000 0.451 135 Y N -2.119 118.287 120.300 0.177 0.000 2.571 135 Y HA 0.550 5.126 4.550 0.043 0.000 0.341 135 Y C -0.999 175.030 175.900 0.216 0.000 1.076 135 Y CA -1.221 56.967 58.100 0.146 0.000 1.029 135 Y CB 1.009 39.511 38.460 0.070 0.000 1.308 135 Y HN 0.016 nan 8.280 nan 0.000 0.461 136 T N 3.342 118.037 114.554 0.235 0.000 2.791 136 T HA 0.244 4.616 4.350 0.037 0.000 0.288 136 T C -1.771 173.122 174.700 0.322 0.000 0.999 136 T CA -0.347 61.894 62.100 0.235 0.000 0.952 136 T CB 0.039 69.114 68.868 0.345 0.000 0.938 136 T HN 0.622 nan 8.240 nan 0.000 0.444 137 Y N 3.992 124.425 120.300 0.222 0.000 2.454 137 Y HA 0.480 5.050 4.550 0.033 0.000 0.345 137 Y C -0.432 175.643 175.900 0.291 0.000 0.970 137 Y CA -0.680 57.616 58.100 0.326 0.000 1.204 137 Y CB 0.563 39.212 38.460 0.316 0.000 1.122 137 Y HN 0.360 nan 8.280 nan 0.000 0.514 138 V N 7.835 127.806 119.914 0.095 0.000 2.318 138 V HA 0.432 4.574 4.120 0.037 0.000 0.271 138 V C 0.137 176.277 176.094 0.077 0.000 1.030 138 V CA -0.659 61.739 62.300 0.164 0.000 0.844 138 V CB 0.600 32.502 31.823 0.132 0.000 1.015 138 V HN 0.752 nan 8.190 nan 0.000 0.460 146 P HA -0.043 nan 4.420 nan 0.000 0.219 146 P C 1.326 178.757 177.300 0.219 0.000 1.146 146 P CA 0.915 64.107 63.100 0.154 0.000 0.808 146 P CB 0.142 31.937 31.700 0.158 0.000 0.779 147 L N -0.766 120.618 121.223 0.270 0.000 2.083 147 L HA -0.197 4.165 4.340 0.037 0.000 0.209 147 L C 2.329 179.335 176.870 0.227 0.000 1.083 147 L CA 1.567 56.579 54.840 0.288 0.000 0.752 147 L CB -0.705 41.483 42.059 0.216 0.000 0.899 147 L HN 0.001 nan 8.230 nan 0.000 0.433 148 K N 0.035 120.551 120.400 0.193 0.000 2.009 148 K HA -0.167 4.175 4.320 0.037 0.000 0.210 148 K C -0.282 176.366 176.600 0.080 0.000 1.049 148 K CA 1.575 57.908 56.287 0.077 0.000 0.929 148 K CB -1.123 31.373 32.500 -0.006 0.000 0.714 148 K HN 0.278 nan 8.250 nan 0.000 0.440 149 P HA -0.132 nan 4.420 nan 0.000 0.226 149 P C 0.721 178.127 177.300 0.178 0.000 1.153 149 P CA 0.858 64.022 63.100 0.108 0.000 0.777 149 P CB 0.060 31.817 31.700 0.095 0.000 0.794 150 Y N 0.002 120.329 120.300 0.046 0.000 2.519 150 Y HA 0.047 4.620 4.550 0.038 0.000 0.287 150 Y C 1.844 177.753 175.900 0.016 0.000 1.128 150 Y CA 0.279 58.405 58.100 0.044 0.000 1.282 150 Y CB -0.976 37.535 38.460 0.084 0.000 1.027 150 Y HN -0.186 nan 8.280 nan 0.000 0.551 151 L N 0.351 121.589 121.223 0.024 0.000 1.990 151 L HA -0.250 4.113 4.340 0.037 0.000 0.213 151 L C -0.248 176.541 176.870 -0.134 0.000 1.072 151 L CA 1.822 56.607 54.840 -0.091 0.000 0.755 151 L CB -1.744 40.282 42.059 -0.054 0.000 0.889 151 L HN 0.160 nan 8.230 nan 0.000 0.432 152 P HA -0.240 nan 4.420 nan 0.000 0.216 152 P C 1.392 178.632 177.300 -0.100 0.000 1.157 152 P CA 1.537 64.596 63.100 -0.068 0.000 0.880 152 P CB 0.061 31.751 31.700 -0.017 0.000 0.791 153 E N -0.939 119.193 120.200 -0.112 0.000 2.107 153 E HA -0.082 4.290 4.350 0.037 0.000 0.191 153 E C 0.876 177.319 176.600 -0.261 0.000 0.982 153 E CA 0.223 56.545 56.400 -0.130 0.000 0.809 153 E CB -0.304 29.378 29.700 -0.030 0.000 0.756 153 E HN 0.096 nan 8.360 nan 0.000 0.459 159 K N 1.010 121.417 120.400 0.012 0.000 2.523 159 K HA 0.445 4.787 4.320 0.037 0.000 0.257 159 K C -1.578 174.999 176.600 -0.038 0.000 0.932 159 K CA -1.117 55.173 56.287 0.006 0.000 0.812 159 K CB 3.019 35.529 32.500 0.017 0.000 1.326 159 K HN -0.099 nan 8.250 nan 0.000 0.433 160 L N 4.659 125.885 121.223 0.004 0.000 2.257 160 L HA 0.403 4.765 4.340 0.037 0.000 0.290 160 L C 0.176 177.081 176.870 0.058 0.000 1.044 160 L CA -0.009 54.813 54.840 -0.030 0.000 0.810 160 L CB 0.658 42.746 42.059 0.049 0.000 1.193 160 L HN 0.785 nan 8.230 nan 0.000 0.425 161 I N 1.041 121.599 120.570 -0.020 0.000 3.941 161 I HA 0.245 4.438 4.170 0.037 0.000 0.335 161 I C -0.423 175.754 176.117 0.101 0.000 1.402 161 I CA -0.604 60.745 61.300 0.081 0.000 1.112 161 I CB -0.320 37.780 38.000 0.168 0.000 1.043 161 I HN 0.336 nan 8.210 nan 0.000 0.395 162 Y N 4.502 124.812 120.300 0.016 0.000 2.805 162 Y HA 0.120 4.693 4.550 0.038 0.000 0.331 162 Y C -1.726 174.039 175.900 -0.224 0.000 1.241 162 Y CA -2.100 55.701 58.100 -0.498 0.000 1.546 162 Y CB -0.312 37.692 38.460 -0.760 0.000 1.248 162 Y HN 0.173 nan 8.280 nan 0.000 0.559 163 P HA 0.160 nan 4.420 nan 0.000 0.220 163 P C -0.140 177.241 177.300 0.135 0.000 1.806 163 P CA 0.221 63.327 63.100 0.010 0.000 0.976 163 P CB -0.137 31.539 31.700 -0.040 0.000 1.952 164 A N 0.734 123.687 122.820 0.221 0.000 2.500 164 A HA 0.538 4.881 4.320 0.037 0.000 0.267 164 A C 1.371 179.078 177.584 0.205 0.000 1.290 164 A CA 0.248 52.412 52.037 0.212 0.000 0.928 164 A CB -0.669 18.454 19.000 0.204 0.000 1.066 164 A HN 0.442 nan 8.150 nan 0.000 0.516 165 G N 1.554 110.504 108.800 0.251 0.000 2.652 165 G HA2 -0.412 3.571 3.960 0.037 0.000 0.318 165 G HA3 -0.412 3.571 3.960 0.037 0.000 0.318 165 G C 0.436 175.487 174.900 0.251 0.000 1.295 165 G CA 0.856 46.086 45.100 0.216 0.000 0.999 165 G HN 0.960 nan 8.290 nan 0.000 0.548 166 D N 1.292 121.782 120.400 0.150 0.000 2.424 166 D HA 0.428 5.090 4.640 0.037 0.000 0.220 166 D C 1.139 177.476 176.300 0.062 0.000 1.150 166 D CA 0.854 54.925 54.000 0.120 0.000 0.831 166 D CB -0.505 40.354 40.800 0.099 0.000 0.981 166 D HN 0.838 nan 8.370 nan 0.000 0.500 167 G N 0.293 109.124 108.800 0.051 0.000 2.636 167 G HA2 0.325 4.307 3.960 0.037 0.000 0.246 167 G HA3 0.325 4.307 3.960 0.037 0.000 0.246 167 G C -0.229 174.681 174.900 0.016 0.000 1.216 167 G CA -0.756 44.354 45.100 0.016 0.000 0.854 167 G HN 0.125 nan 8.290 nan 0.000 0.572 168 R N -0.018 120.483 120.500 0.000 0.000 2.338 168 R HA 0.452 4.814 4.340 0.037 0.000 0.317 168 R C -0.560 175.739 176.300 -0.001 0.000 0.968 168 R CA -0.479 55.632 56.100 0.020 0.000 0.849 168 R CB 1.780 32.083 30.300 0.006 0.000 1.128 168 R HN 0.362 nan 8.270 nan 0.000 0.448 169 I N 1.995 122.599 120.570 0.058 0.000 2.433 169 I HA 0.204 4.396 4.170 0.037 0.000 0.292 169 I C -0.126 176.009 176.117 0.031 0.000 1.001 169 I CA -0.800 60.495 61.300 -0.009 0.000 1.119 169 I CB 1.805 39.775 38.000 -0.050 0.000 1.289 169 I HN 0.485 nan 8.210 nan 0.000 0.438 170 N N 5.804 124.497 118.700 -0.011 0.000 2.455 170 N HA 0.294 5.056 4.740 0.037 0.000 0.280 170 N C -1.652 173.787 175.510 -0.119 0.000 1.055 170 N CA -0.043 53.005 53.050 -0.003 0.000 0.961 170 N CB 0.963 39.465 38.487 0.025 0.000 1.121 170 N HN 0.366 nan 8.380 nan 0.000 0.476 171 Y N 2.146 122.442 120.300 -0.007 0.000 2.509 171 Y HA 0.623 5.196 4.550 0.038 0.000 0.341 171 Y C 0.046 175.911 175.900 -0.059 0.000 1.038 171 Y CA -0.911 57.194 58.100 0.008 0.000 1.089 171 Y CB 1.849 40.407 38.460 0.164 0.000 1.241 171 Y HN 0.405 nan 8.280 nan 0.000 0.468 172 I N 0.793 121.405 120.570 0.070 0.000 2.841 172 I HA 0.355 4.547 4.170 0.037 0.000 0.298 172 I C -0.602 175.457 176.117 -0.097 0.000 1.304 172 I CA -0.379 60.879 61.300 -0.070 0.000 1.019 172 I CB 2.103 40.004 38.000 -0.164 0.000 1.282 172 I HN 0.681 nan 8.210 nan 0.000 0.432 173 T N 3.148 117.563 114.554 -0.233 0.000 2.899 173 T HA 0.408 4.780 4.350 0.037 0.000 0.295 173 T C 1.107 175.658 174.700 -0.248 0.000 1.033 173 T CA -0.374 61.506 62.100 -0.367 0.000 1.084 173 T CB 1.098 69.676 68.868 -0.483 0.000 0.979 173 T HN 0.677 nan 8.240 nan 0.000 0.532 174 R N 1.085 121.385 120.500 -0.333 0.000 2.096 174 R HA -0.122 4.240 4.340 0.037 0.000 0.235 174 R C 2.324 178.332 176.300 -0.486 0.000 1.127 174 R CA 1.554 57.431 56.100 -0.371 0.000 0.968 174 R CB -0.673 29.339 30.300 -0.481 0.000 0.861 174 R HN 0.780 nan 8.270 nan 0.000 0.440 175 N N 1.262 119.582 118.700 -0.634 0.000 2.069 175 N HA -0.187 4.575 4.740 0.037 0.000 0.191 175 N C 1.224 176.657 175.510 -0.129 0.000 1.031 175 N CA 1.860 54.641 53.050 -0.447 0.000 0.852 175 N CB -0.155 38.214 38.487 -0.196 0.000 1.018 175 N HN 0.072 nan 8.380 nan 0.000 0.423 176 D N -0.140 120.202 120.400 -0.097 0.000 2.144 176 D HA -0.051 4.611 4.640 0.037 0.000 0.200 176 D C 2.006 178.399 176.300 0.155 0.000 0.978 176 D CA 0.659 54.686 54.000 0.046 0.000 0.833 176 D CB -0.204 40.420 40.800 -0.292 0.000 0.961 176 D HN 0.413 nan 8.370 nan 0.000 0.470 177 I N 1.158 121.743 120.570 0.025 0.000 2.226 177 I HA -0.273 3.919 4.170 0.037 0.000 0.245 177 I C 2.443 178.610 176.117 0.083 0.000 1.100 177 I CA 1.102 62.445 61.300 0.072 0.000 1.374 177 I CB -0.183 37.859 38.000 0.070 0.000 1.057 177 I HN -0.072 nan 8.210 nan 0.000 0.413 178 A N 0.747 123.593 122.820 0.043 0.000 1.933 178 A HA -0.202 4.140 4.320 0.037 0.000 0.218 178 A C 2.379 180.002 177.584 0.064 0.000 1.175 178 A CA 1.440 53.513 52.037 0.060 0.000 0.628 178 A CB -0.557 18.485 19.000 0.069 0.000 0.814 178 A HN 0.326 nan 8.150 nan 0.000 0.444 179 R N -0.928 119.625 120.500 0.089 0.000 2.096 179 R HA -0.104 4.258 4.340 0.037 0.000 0.235 179 R C 2.364 178.661 176.300 -0.006 0.000 1.127 179 R CA 1.117 57.253 56.100 0.061 0.000 0.968 179 R CB -0.569 29.808 30.300 0.128 0.000 0.861 179 R HN 0.537 nan 8.270 nan 0.000 0.440 180 G N 0.353 109.182 108.800 0.049 0.000 2.402 180 G HA2 -0.180 3.803 3.960 0.037 0.000 0.216 180 G HA3 -0.180 3.803 3.960 0.037 0.000 0.216 180 G C 1.456 176.332 174.900 -0.039 0.000 1.162 180 G CA 0.474 45.549 45.100 -0.042 0.000 0.777 180 G HN 0.113 nan 8.290 nan 0.000 0.539 181 V N 0.893 120.819 119.914 0.019 0.000 2.358 181 V HA -0.121 4.021 4.120 0.037 0.000 0.246 181 V C 2.742 178.866 176.094 0.050 0.000 1.047 181 V CA 1.222 63.543 62.300 0.035 0.000 1.035 181 V CB -0.313 31.543 31.823 0.055 0.000 0.658 181 V HN 0.255 nan 8.190 nan 0.000 0.452 182 I N 0.850 121.443 120.570 0.039 0.000 2.286 182 I HA -0.175 4.017 4.170 0.037 0.000 0.248 182 I C 2.541 178.681 176.117 0.037 0.000 1.115 182 I CA 1.619 62.944 61.300 0.042 0.000 1.392 182 I CB -0.983 37.019 38.000 0.003 0.000 1.065 182 I HN 0.207 nan 8.210 nan 0.000 0.418 183 A N 0.223 123.036 122.820 -0.012 0.000 1.933 183 A HA -0.162 4.180 4.320 0.037 0.000 0.218 183 A C 2.381 179.977 177.584 0.020 0.000 1.175 183 A CA 1.561 53.577 52.037 -0.035 0.000 0.628 183 A CB -0.833 18.093 19.000 -0.123 0.000 0.814 183 A HN 0.392 nan 8.150 nan 0.000 0.444 184 I N -0.359 120.235 120.570 0.039 0.000 2.202 184 I HA -0.252 3.941 4.170 0.037 0.000 0.242 184 I C 2.304 178.656 176.117 0.392 0.000 1.091 184 I CA 1.317 62.713 61.300 0.160 0.000 1.368 184 I CB -0.360 37.705 38.000 0.108 0.000 1.058 184 I HN 0.301 nan 8.210 nan 0.000 0.410 185 I N 0.855 121.605 120.570 0.300 0.000 2.151 185 I HA -0.336 3.857 4.170 0.037 0.000 0.243 185 I C 2.266 178.632 176.117 0.416 0.000 1.080 185 I CA 1.693 63.224 61.300 0.386 0.000 1.339 185 I CB -0.426 37.726 38.000 0.253 0.000 1.039 185 I HN 0.199 nan 8.210 nan 0.000 0.409 186 K N 0.186 120.724 120.400 0.230 0.000 2.439 186 K HA -0.058 4.285 4.320 0.037 0.000 0.197 186 K C 0.645 177.282 176.600 0.061 0.000 1.041 186 K CA 0.460 56.829 56.287 0.136 0.000 0.970 186 K CB -0.242 32.298 32.500 0.067 0.000 0.773 186 K HN 0.350 nan 8.250 nan 0.000 0.479 187 N N 0.913 119.647 118.700 0.057 0.000 2.682 187 N HA 0.116 4.879 4.740 0.037 0.000 0.252 187 N C -2.203 173.104 175.510 -0.339 0.000 1.081 187 N CA -1.782 51.208 53.050 -0.100 0.000 0.844 187 N CB 1.219 39.670 38.487 -0.059 0.000 1.167 187 N HN -0.198 nan 8.380 nan 0.000 0.523 188 P HA -0.137 nan 4.420 nan 0.000 0.223 188 P C 0.088 176.834 177.300 -0.923 0.000 1.144 188 P CA 1.035 63.091 63.100 -1.741 0.000 0.783 188 P CB 0.362 31.169 31.700 -1.489 0.000 0.771 189 D N -0.341 119.794 120.400 -0.441 0.000 2.371 189 D HA -0.053 4.610 4.640 0.037 0.000 0.221 189 D C 1.676 177.933 176.300 -0.071 0.000 0.986 189 D CA 1.352 55.224 54.000 -0.213 0.000 0.899 189 D CB -0.251 40.467 40.800 -0.136 0.000 0.902 189 D HN 0.370 nan 8.370 nan 0.000 0.530 190 T N -3.434 111.111 114.554 -0.015 0.000 3.040 190 T HA 0.001 4.373 4.350 0.037 0.000 0.250 190 T C 0.620 175.596 174.700 0.460 0.000 1.058 190 T CA -0.570 61.681 62.100 0.251 0.000 0.988 190 T CB -0.007 69.010 68.868 0.249 0.000 0.993 190 T HN -0.111 nan 8.240 nan 0.000 0.519 191 W N 1.518 122.848 121.300 0.050 0.000 2.150 191 W HA 0.545 5.233 4.660 0.047 0.000 0.341 191 W C 1.552 178.055 176.519 -0.028 0.000 1.276 191 W CA 0.290 57.629 57.345 -0.010 0.000 1.238 191 W CB -0.520 28.721 29.460 -0.364 0.000 1.128 191 W HN 0.437 nan 8.180 nan 0.000 0.581 192 G N 0.916 109.848 108.800 0.219 0.000 2.157 192 G HA2 -0.273 3.709 3.960 0.037 0.000 0.248 192 G HA3 -0.273 3.709 3.960 0.037 0.000 0.248 192 G C 0.241 175.085 174.900 -0.093 0.000 0.979 192 G CA 0.145 45.254 45.100 0.016 0.000 0.650 192 G HN 0.411 nan 8.290 nan 0.000 0.529 193 K N -0.585 119.770 120.400 -0.074 0.000 2.238 193 K HA 0.680 5.022 4.320 0.037 0.000 0.239 193 K C 0.144 176.509 176.600 -0.392 0.000 0.987 193 K CA -0.997 55.118 56.287 -0.286 0.000 0.857 193 K CB 1.707 33.959 32.500 -0.415 0.000 1.154 193 K HN 0.127 nan 8.250 nan 0.000 0.439 194 R N 1.679 121.932 120.500 -0.412 0.000 2.346 194 R HA 0.296 4.659 4.340 0.037 0.000 0.311 194 R C -1.337 174.741 176.300 -0.370 0.000 0.983 194 R CA -0.311 55.663 56.100 -0.210 0.000 0.880 194 R CB 0.515 30.773 30.300 -0.071 0.000 1.100 194 R HN 0.505 nan 8.270 nan 0.000 0.453 195 Y N 2.977 123.363 120.300 0.145 0.000 2.570 195 Y HA 0.462 5.033 4.550 0.035 0.000 0.345 195 Y C -0.734 175.233 175.900 0.111 0.000 1.014 195 Y CA -1.107 57.058 58.100 0.110 0.000 1.063 195 Y CB 1.870 40.390 38.460 0.100 0.000 1.272 195 Y HN 0.407 nan 8.280 nan 0.000 0.477 196 L N 3.306 124.688 121.223 0.265 0.000 2.372 196 L HA 0.565 4.928 4.340 0.037 0.000 0.274 196 L C -1.867 175.071 176.870 0.114 0.000 0.988 196 L CA -0.555 54.377 54.840 0.153 0.000 0.833 196 L CB 1.016 43.139 42.059 0.107 0.000 1.236 196 L HN 0.568 nan 8.230 nan 0.000 0.410 197 L N 5.262 126.524 121.223 0.066 0.000 2.270 197 L HA 0.537 4.899 4.340 0.037 0.000 0.286 197 L C 0.122 176.946 176.870 -0.077 0.000 1.059 197 L CA -0.256 54.610 54.840 0.043 0.000 0.839 197 L CB 0.873 42.975 42.059 0.071 0.000 1.221 197 L HN 0.818 nan 8.230 nan 0.000 0.431 198 S N 0.973 116.613 115.700 -0.100 0.000 2.607 198 S HA 0.813 5.305 4.470 0.037 0.000 0.303 198 S C 0.274 174.697 174.600 -0.295 0.000 1.086 198 S CA -0.157 57.931 58.200 -0.187 0.000 0.995 198 S CB 2.333 65.453 63.200 -0.134 0.000 1.084 198 S HN 0.507 nan 8.310 nan 0.000 0.507 199 G N 0.032 108.638 108.800 -0.324 0.000 2.508 199 G HA2 0.512 4.495 3.960 0.037 0.000 0.217 199 G HA3 0.512 4.495 3.960 0.037 0.000 0.217 199 G C -1.146 173.275 174.900 -0.799 0.000 2.004 199 G CA -0.302 44.504 45.100 -0.490 0.000 0.750 199 G HN 0.655 nan 8.290 nan 0.000 0.730 200 Y N -0.170 120.034 120.300 -0.159 0.000 2.534 200 Y HA 0.639 5.211 4.550 0.038 0.000 0.345 200 Y C -0.213 175.365 175.900 -0.537 0.000 1.031 200 Y CA -0.892 57.006 58.100 -0.336 0.000 1.022 200 Y CB 2.343 40.571 38.460 -0.387 0.000 1.292 200 Y HN 0.152 nan 8.280 nan 0.000 0.459 201 S N 1.728 117.192 115.700 -0.392 0.000 2.489 201 S HA 0.673 5.165 4.470 0.037 0.000 0.291 201 S C -1.593 172.723 174.600 -0.473 0.000 1.151 201 S CA -0.670 57.345 58.200 -0.309 0.000 1.082 201 S CB 0.362 63.489 63.200 -0.121 0.000 1.019 201 S HN 0.433 nan 8.310 nan 0.000 0.492 202 Y N 0.931 121.336 120.300 0.175 0.000 2.470 202 Y HA 0.335 4.907 4.550 0.037 0.000 0.341 202 Y C 0.070 176.023 175.900 0.088 0.000 1.021 202 Y CA -1.603 56.565 58.100 0.114 0.000 1.025 202 Y CB 1.072 39.589 38.460 0.095 0.000 1.266 202 Y HN 0.633 nan 8.280 nan 0.000 0.448 206 E N 1.709 121.911 120.200 0.003 0.000 2.150 206 E HA -0.102 4.270 4.350 0.037 0.000 0.193 206 E C 1.860 178.416 176.600 -0.074 0.000 0.985 206 E CA 1.106 57.512 56.400 0.011 0.000 0.814 206 E CB 0.170 29.933 29.700 0.105 0.000 0.752 206 E HN 0.296 nan 8.360 nan 0.000 0.466 207 L N 0.667 121.842 121.223 -0.079 0.000 2.027 207 L HA -0.157 4.206 4.340 0.037 0.000 0.206 207 L C 2.428 179.223 176.870 -0.125 0.000 1.074 207 L CA 1.210 55.953 54.840 -0.161 0.000 0.745 207 L CB -0.288 41.734 42.059 -0.061 0.000 0.898 207 L HN 0.140 nan 8.230 nan 0.000 0.433 208 A N -0.306 122.474 122.820 -0.067 0.000 1.933 208 A HA -0.190 4.153 4.320 0.037 0.000 0.218 208 A C 2.383 179.938 177.584 -0.047 0.000 1.175 208 A CA 1.670 53.686 52.037 -0.035 0.000 0.628 208 A CB -0.705 18.313 19.000 0.029 0.000 0.814 208 A HN 0.567 nan 8.150 nan 0.000 0.444 209 A N -0.164 122.626 122.820 -0.049 0.000 1.930 209 A HA -0.002 4.340 4.320 0.037 0.000 0.217 209 A C 1.969 179.505 177.584 -0.080 0.000 1.175 209 A CA 1.477 53.486 52.037 -0.048 0.000 0.627 209 A CB -0.396 18.584 19.000 -0.032 0.000 0.815 209 A HN 0.399 nan 8.150 nan 0.000 0.443 210 I N -0.058 120.434 120.570 -0.130 0.000 2.252 210 I HA -0.175 4.018 4.170 0.037 0.000 0.245 210 I C 2.385 178.423 176.117 -0.131 0.000 1.102 210 I CA 1.114 62.315 61.300 -0.164 0.000 1.385 210 I CB -1.321 36.501 38.000 -0.297 0.000 1.064 210 I HN 0.283 nan 8.210 nan 0.000 0.414 211 L N -0.079 121.071 121.223 -0.122 0.000 2.093 211 L HA -0.150 4.213 4.340 0.037 0.000 0.208 211 L C 2.624 179.441 176.870 -0.088 0.000 1.085 211 L CA 0.872 55.653 54.840 -0.098 0.000 0.755 211 L CB -0.512 41.493 42.059 -0.090 0.000 0.904 211 L HN 0.140 nan 8.230 nan 0.000 0.435 212 S N 0.195 115.849 115.700 -0.076 0.000 2.348 212 S HA -0.217 4.276 4.470 0.037 0.000 0.221 212 S C 1.804 176.369 174.600 -0.058 0.000 1.033 212 S CA 1.807 59.969 58.200 -0.063 0.000 1.010 212 S CB -0.286 62.889 63.200 -0.040 0.000 0.891 212 S HN 0.617 nan 8.310 nan 0.000 0.442 213 E N 1.644 121.810 120.200 -0.057 0.000 2.204 213 E HA 0.009 4.382 4.350 0.037 0.000 0.194 213 E C 2.021 178.588 176.600 -0.057 0.000 0.989 213 E CA 0.940 57.309 56.400 -0.051 0.000 0.824 213 E CB -0.296 29.375 29.700 -0.049 0.000 0.756 213 E HN 0.464 nan 8.360 nan 0.000 0.477 214 A N 1.938 124.718 122.820 -0.068 0.000 1.897 214 A HA -0.129 4.213 4.320 0.037 0.000 0.215 214 A C 2.404 179.947 177.584 -0.069 0.000 1.181 214 A CA 1.624 53.620 52.037 -0.070 0.000 0.620 214 A CB -0.528 18.426 19.000 -0.078 0.000 0.821 214 A HN 0.392 nan 8.150 nan 0.000 0.443 215 S N -2.127 113.528 115.700 -0.074 0.000 2.528 215 S HA 0.362 4.854 4.470 0.037 0.000 0.219 215 S C 1.527 176.087 174.600 -0.067 0.000 0.985 215 S CA 1.117 59.271 58.200 -0.077 0.000 0.914 215 S CB -0.186 62.955 63.200 -0.097 0.000 0.776 215 S HN 1.891 nan 8.310 nan 0.000 0.526 216 G N 0.626 109.391 108.800 -0.057 0.000 2.189 216 G HA2 -0.250 3.732 3.960 0.037 0.000 0.267 216 G HA3 -0.250 3.732 3.960 0.037 0.000 0.267 216 G C 0.183 175.059 174.900 -0.040 0.000 0.975 216 G CA 0.629 45.704 45.100 -0.043 0.000 0.644 216 G HN 0.667 nan 8.290 nan 0.000 0.537 217 T N -0.059 114.458 114.554 -0.061 0.000 2.925 217 T HA 0.525 4.897 4.350 0.037 0.000 0.285 217 T C -0.011 174.660 174.700 -0.048 0.000 1.021 217 T CA -0.296 61.763 62.100 -0.068 0.000 1.042 217 T CB 2.226 70.995 68.868 -0.164 0.000 1.037 217 T HN 0.355 nan 8.240 nan 0.000 0.481 218 E N 2.213 122.424 120.200 0.018 0.000 2.180 218 E HA 0.325 4.698 4.350 0.037 0.000 0.283 218 E C -1.027 175.599 176.600 0.044 0.000 1.061 218 E CA -0.226 56.204 56.400 0.050 0.000 0.861 218 E CB 0.182 29.941 29.700 0.097 0.000 1.056 218 E HN 0.453 nan 8.360 nan 0.000 0.407 219 I N 5.266 125.836 120.570 -0.001 0.000 2.439 219 I HA 0.304 4.497 4.170 0.037 0.000 0.285 219 I C -0.289 175.842 176.117 0.023 0.000 1.021 219 I CA -0.774 60.520 61.300 -0.011 0.000 1.091 219 I CB 1.656 39.614 38.000 -0.069 0.000 1.242 219 I HN 0.333 nan 8.210 nan 0.000 0.439 220 K N 4.632 125.061 120.400 0.048 0.000 2.203 220 K HA 0.377 4.720 4.320 0.037 0.000 0.251 220 K C -1.059 175.612 176.600 0.118 0.000 0.944 220 K CA -0.959 55.372 56.287 0.073 0.000 0.829 220 K CB 2.177 34.710 32.500 0.054 0.000 1.125 220 K HN 0.342 nan 8.250 nan 0.000 0.430 221 Y N 2.385 122.685 120.300 0.000 0.000 2.531 221 Y HA 0.052 4.625 4.550 0.037 0.000 0.347 221 Y C -0.726 175.180 175.900 0.010 0.000 1.024 221 Y CA -0.165 57.937 58.100 0.005 0.000 1.306 221 Y CB 0.363 38.838 38.460 0.024 0.000 1.149 221 Y HN 0.537 nan 8.280 nan 0.000 0.527 222 E N 8.872 128.918 120.200 -0.256 0.000 3.132 222 E HA 0.199 4.571 4.350 0.037 0.000 0.241 222 E C -2.726 173.690 176.600 -0.307 0.000 1.196 222 E CA -2.075 54.144 56.400 -0.302 0.000 0.869 222 E CB 0.831 30.463 29.700 -0.114 0.000 1.387 222 E HN 0.486 nan 8.360 nan 0.000 0.393 223 P HA -0.037 nan 4.420 nan 0.000 0.268 223 P C 0.257 177.502 177.300 -0.092 0.000 1.204 223 P CA -0.022 62.929 63.100 -0.248 0.000 0.768 223 P CB 1.051 32.578 31.700 -0.287 0.000 0.842 224 V N 0.689 120.613 119.914 0.017 0.000 3.234 224 V HA 0.558 4.701 4.120 0.037 0.000 0.317 224 V C 0.700 176.835 176.094 0.069 0.000 1.081 224 V CA -0.819 61.514 62.300 0.054 0.000 1.037 224 V CB 0.590 32.484 31.823 0.118 0.000 1.148 224 V HN 0.704 nan 8.190 nan 0.000 0.453 225 S N 0.300 116.043 115.700 0.071 0.000 2.589 225 S HA 0.292 4.784 4.470 0.037 0.000 0.265 225 S C 0.905 175.574 174.600 0.114 0.000 1.342 225 S CA -0.286 57.956 58.200 0.069 0.000 1.005 225 S CB 0.329 63.559 63.200 0.051 0.000 0.909 225 S HN 0.712 nan 8.310 nan 0.000 0.555 226 L N 0.708 121.980 121.223 0.081 0.000 2.046 226 L HA -0.130 4.232 4.340 0.037 0.000 0.208 226 L C 2.671 179.627 176.870 0.144 0.000 1.077 226 L CA 1.639 56.539 54.840 0.100 0.000 0.747 226 L CB -0.731 41.323 42.059 -0.009 0.000 0.896 226 L HN 0.717 nan 8.230 nan 0.000 0.432 227 E N -0.586 119.668 120.200 0.090 0.000 2.047 227 E HA -0.159 4.214 4.350 0.037 0.000 0.191 227 E C 2.097 178.750 176.600 0.088 0.000 0.987 227 E CA 1.708 58.156 56.400 0.079 0.000 0.799 227 E CB -0.538 29.191 29.700 0.048 0.000 0.752 227 E HN 0.303 nan 8.360 nan 0.000 0.449 228 T N 0.766 115.373 114.554 0.090 0.000 2.746 228 T HA -0.144 4.228 4.350 0.037 0.000 0.267 228 T C 1.487 176.234 174.700 0.079 0.000 1.039 228 T CA 1.116 63.254 62.100 0.063 0.000 1.142 228 T CB -0.429 68.474 68.868 0.059 0.000 0.866 228 T HN 0.118 nan 8.240 nan 0.000 0.444 229 F N 2.144 122.111 119.950 0.029 0.000 2.075 229 F HA -0.011 4.538 4.527 0.036 0.000 0.297 229 F C 2.495 178.361 175.800 0.108 0.000 1.113 229 F CA 1.086 59.140 58.000 0.089 0.000 1.218 229 F CB -0.730 38.381 39.000 0.184 0.000 0.984 229 F HN 0.138 nan 8.300 nan 0.000 0.472 230 A N -0.254 122.694 122.820 0.213 0.000 1.902 230 A HA -0.144 4.198 4.320 0.037 0.000 0.217 230 A C 1.449 179.046 177.584 0.022 0.000 1.181 230 A CA 1.114 53.214 52.037 0.106 0.000 0.623 230 A CB -0.897 18.177 19.000 0.123 0.000 0.818 230 A HN 0.506 nan 8.150 nan 0.000 0.443 234 D N 2.707 123.207 120.400 0.166 0.000 2.498 234 D HA 0.220 4.882 4.640 0.037 0.000 0.229 234 D C -0.191 176.232 176.300 0.206 0.000 1.188 234 D CA 0.917 55.029 54.000 0.187 0.000 1.028 234 D CB 0.008 40.876 40.800 0.113 0.000 1.087 234 D HN 0.457 nan 8.370 nan 0.000 0.510 235 E N 3.305 123.680 120.200 0.291 0.000 2.428 235 E HA 0.213 4.585 4.350 0.037 0.000 0.307 235 E C -2.647 173.974 176.600 0.036 0.000 0.902 235 E CA -1.419 55.077 56.400 0.161 0.000 0.799 235 E CB 1.478 31.247 29.700 0.114 0.000 1.351 235 E HN 0.161 nan 8.360 nan 0.000 0.392 236 P HA 0.095 nan 4.420 nan 0.000 0.275 236 P C -0.786 176.639 177.300 0.207 0.000 1.270 236 P CA -0.402 62.760 63.100 0.104 0.000 0.791 236 P CB 0.705 32.457 31.700 0.087 0.000 1.089 237 K N -0.345 120.154 120.400 0.166 0.000 2.484 237 K HA 0.252 4.594 4.320 0.037 0.000 0.280 237 K C 1.253 178.001 176.600 0.245 0.000 1.013 237 K CA 1.016 57.405 56.287 0.169 0.000 1.029 237 K CB -0.598 31.968 32.500 0.110 0.000 0.902 237 K HN 0.835 nan 8.250 nan 0.000 0.481 238 G N 2.744 111.680 108.800 0.226 0.000 2.241 238 G HA2 -0.335 3.648 3.960 0.037 0.000 0.244 238 G HA3 -0.335 3.648 3.960 0.037 0.000 0.244 238 G C 0.632 175.681 174.900 0.248 0.000 0.998 238 G CA 0.274 45.526 45.100 0.253 0.000 0.621 238 G HN 0.639 nan 8.290 nan 0.000 0.519 239 F N 2.586 122.586 119.950 0.083 0.000 2.186 239 F HA 0.218 4.767 4.527 0.036 0.000 0.299 239 F C 2.387 178.196 175.800 0.014 0.000 1.090 239 F CA 2.324 60.287 58.000 -0.063 0.000 1.307 239 F CB -0.569 38.401 39.000 -0.049 0.000 1.019 239 F HN 0.209 nan 8.300 nan 0.000 0.489 240 G N 0.066 108.884 108.800 0.031 0.000 2.491 240 G HA2 -0.304 3.678 3.960 0.037 0.000 0.218 240 G HA3 -0.304 3.678 3.960 0.037 0.000 0.218 240 G C 1.867 176.741 174.900 -0.044 0.000 1.180 240 G CA 1.033 46.119 45.100 -0.024 0.000 0.774 240 G HN 0.582 nan 8.290 nan 0.000 0.562 241 A N 0.248 123.065 122.820 -0.005 0.000 1.933 241 A HA 0.104 4.447 4.320 0.037 0.000 0.218 241 A C 2.395 179.794 177.584 -0.309 0.000 1.175 241 A CA 1.529 53.551 52.037 -0.025 0.000 0.628 241 A CB -0.378 18.699 19.000 0.128 0.000 0.814 241 A HN 0.451 nan 8.150 nan 0.000 0.444 242 L N -1.200 119.806 121.223 -0.362 0.000 2.027 242 L HA -0.110 4.252 4.340 0.037 0.000 0.206 242 L C 2.374 179.089 176.870 -0.258 0.000 1.074 242 L CA 1.551 56.090 54.840 -0.502 0.000 0.745 242 L CB -0.212 41.682 42.059 -0.274 0.000 0.898 242 L HN 0.371 nan 8.230 nan 0.000 0.433 243 L N 0.149 121.160 121.223 -0.353 0.000 2.046 243 L HA -0.116 4.246 4.340 0.037 0.000 0.208 243 L C 2.608 179.581 176.870 0.172 0.000 1.077 243 L CA 1.985 56.734 54.840 -0.152 0.000 0.747 243 L CB -0.828 41.059 42.059 -0.286 0.000 0.896 243 L HN 0.301 nan 8.230 nan 0.000 0.432 244 A N -0.923 122.053 122.820 0.260 0.000 1.908 244 A HA -0.127 4.216 4.320 0.037 0.000 0.218 244 A C 1.680 179.340 177.584 0.127 0.000 1.181 244 A CA 1.286 53.506 52.037 0.305 0.000 0.627 244 A CB -1.174 18.006 19.000 0.299 0.000 0.818 244 A HN 0.623 nan 8.150 nan 0.000 0.445 248 H N 1.105 120.187 119.070 0.020 0.000 2.387 248 H HA 0.040 4.619 4.556 0.037 0.000 0.299 248 H C 2.073 177.397 175.328 -0.006 0.000 1.090 248 H CA 1.973 58.039 56.048 0.030 0.000 1.332 248 H CB 0.007 29.800 29.762 0.051 0.000 1.386 248 H HN 0.334 nan 8.280 nan 0.000 0.516 249 A N -0.171 122.602 122.820 -0.078 0.000 1.933 249 A HA -0.057 4.286 4.320 0.037 0.000 0.218 249 A C 2.699 180.158 177.584 -0.209 0.000 1.175 249 A CA 1.461 53.390 52.037 -0.180 0.000 0.628 249 A CB -1.266 17.641 19.000 -0.155 0.000 0.814 249 A HN 0.586 nan 8.150 nan 0.000 0.444 250 G N -0.636 108.061 108.800 -0.171 0.000 2.408 250 G HA2 0.058 4.040 3.960 0.037 0.000 0.217 250 G HA3 0.058 4.040 3.960 0.037 0.000 0.217 250 G C 1.672 176.528 174.900 -0.074 0.000 1.150 250 G CA 1.199 46.218 45.100 -0.134 0.000 0.776 250 G HN 0.773 nan 8.290 nan 0.000 0.542 251 A N 0.699 123.495 122.820 -0.039 0.000 1.972 251 A HA 0.034 4.377 4.320 0.037 0.000 0.219 251 A C 2.319 179.861 177.584 -0.070 0.000 1.169 251 A CA 1.099 53.131 52.037 -0.009 0.000 0.635 251 A CB -0.254 18.780 19.000 0.056 0.000 0.810 251 A HN 0.349 nan 8.150 nan 0.000 0.446 252 R N -1.222 119.186 120.500 -0.154 0.000 2.313 252 R HA 0.175 4.537 4.340 0.037 0.000 0.199 252 R C 1.182 177.407 176.300 -0.124 0.000 0.958 252 R CA 0.478 56.486 56.100 -0.154 0.000 1.047 252 R CB -0.166 30.001 30.300 -0.222 0.000 0.955 252 R HN 0.658 nan 8.270 nan 0.000 0.481 253 G N 1.089 109.819 108.800 -0.117 0.000 2.153 253 G HA2 -0.266 3.717 3.960 0.037 0.000 0.252 253 G HA3 -0.266 3.717 3.960 0.037 0.000 0.252 253 G C 0.533 175.338 174.900 -0.159 0.000 0.994 253 G CA -0.008 45.025 45.100 -0.113 0.000 0.698 253 G HN 0.324 nan 8.290 nan 0.000 0.521 254 L N -0.692 120.404 121.223 -0.211 0.000 2.591 254 L HA 0.334 4.696 4.340 0.037 0.000 0.228 254 L C 2.098 178.716 176.870 -0.419 0.000 1.133 254 L CA 0.295 54.972 54.840 -0.271 0.000 0.880 254 L CB 0.030 41.931 42.059 -0.263 0.000 1.033 254 L HN 0.314 nan 8.230 nan 0.000 0.450 255 L N -1.176 119.794 121.223 -0.421 0.000 2.808 255 L HA 0.181 4.543 4.340 0.037 0.000 0.246 255 L C 0.213 176.882 176.870 -0.335 0.000 1.153 255 L CA -0.052 54.415 54.840 -0.623 0.000 0.956 255 L CB 0.174 41.910 42.059 -0.538 0.000 1.270 255 L HN 0.004 nan 8.230 nan 0.000 0.528 256 D N 1.870 122.141 120.400 -0.215 0.000 2.631 256 D HA 0.143 4.805 4.640 0.037 0.000 0.227 256 D C -0.167 176.076 176.300 -0.094 0.000 1.146 256 D CA 0.068 54.002 54.000 -0.111 0.000 1.009 256 D CB 0.233 40.984 40.800 -0.081 0.000 1.057 256 D HN 0.215 nan 8.370 nan 0.000 0.509 257 Q N 1.398 121.162 119.800 -0.060 0.000 2.316 257 Q HA 0.527 4.889 4.340 0.037 0.000 0.264 257 Q C -0.388 175.618 176.000 0.010 0.000 0.987 257 Q CA -0.705 55.087 55.803 -0.019 0.000 0.852 257 Q CB 2.572 31.314 28.738 0.008 0.000 1.287 257 Q HN 0.276 nan 8.270 nan 0.000 0.448 258 E N 0.807 120.998 120.200 -0.014 0.000 2.383 258 E HA 0.617 4.989 4.350 0.037 0.000 0.275 258 E C -1.286 175.306 176.600 -0.015 0.000 0.918 258 E CA -0.605 55.775 56.400 -0.033 0.000 0.764 258 E CB 2.419 32.084 29.700 -0.058 0.000 1.252 258 E HN 0.630 nan 8.360 nan 0.000 0.449 259 S N 0.568 116.258 115.700 -0.016 0.000 2.615 259 S HA 0.288 4.781 4.470 0.037 0.000 0.269 259 S C -0.807 173.803 174.600 0.015 0.000 1.161 259 S CA -0.884 57.325 58.200 0.015 0.000 0.817 259 S CB 1.036 64.267 63.200 0.052 0.000 1.131 259 S HN 0.621 nan 8.310 nan 0.000 0.467 260 N N 0.045 118.769 118.700 0.040 0.000 2.321 260 N HA 0.159 4.922 4.740 0.037 0.000 0.242 260 N C -0.151 175.408 175.510 0.082 0.000 1.141 260 N CA -0.247 52.833 53.050 0.050 0.000 0.864 260 N CB -0.085 38.425 38.487 0.037 0.000 1.100 260 N HN 0.561 nan 8.380 nan 0.000 0.510 261 D N 0.588 121.053 120.400 0.108 0.000 2.144 261 D HA -0.136 4.526 4.640 0.037 0.000 0.199 261 D C 1.203 177.544 176.300 0.068 0.000 0.984 261 D CA 0.724 54.798 54.000 0.124 0.000 0.834 261 D CB -0.172 40.756 40.800 0.213 0.000 0.955 261 D HN 0.288 nan 8.370 nan 0.000 0.465 262 F N 2.091 122.017 119.950 -0.041 0.000 2.069 262 F HA -0.207 4.341 4.527 0.036 0.000 0.298 262 F C 2.186 177.958 175.800 -0.047 0.000 1.113 262 F CA 1.430 59.394 58.000 -0.060 0.000 1.214 262 F CB 0.019 38.975 39.000 -0.072 0.000 0.978 262 F HN -0.249 nan 8.300 nan 0.000 0.474 263 K N 0.571 121.035 120.400 0.107 0.000 2.097 263 K HA -0.205 4.138 4.320 0.037 0.000 0.206 263 K C 1.961 178.519 176.600 -0.070 0.000 1.049 263 K CA 1.897 58.194 56.287 0.016 0.000 0.933 263 K CB -0.412 32.138 32.500 0.084 0.000 0.717 263 K HN 0.501 nan 8.250 nan 0.000 0.442 264 Q N -0.078 119.696 119.800 -0.042 0.000 2.230 264 Q HA -0.046 4.316 4.340 0.037 0.000 0.202 264 Q C 2.209 178.150 176.000 -0.098 0.000 0.963 264 Q CA 0.897 56.675 55.803 -0.042 0.000 0.866 264 Q CB 0.122 28.867 28.738 0.012 0.000 0.931 264 Q HN 0.287 nan 8.270 nan 0.000 0.452 265 L N -0.723 120.392 121.223 -0.179 0.000 2.168 265 L HA -0.031 4.331 4.340 0.037 0.000 0.203 265 L C 1.897 178.603 176.870 -0.273 0.000 1.078 265 L CA 0.483 55.183 54.840 -0.232 0.000 0.780 265 L CB 0.219 42.093 42.059 -0.308 0.000 0.939 265 L HN 0.003 nan 8.230 nan 0.000 0.451 266 V N -1.503 118.154 119.914 -0.429 0.000 3.644 266 V HA 0.037 4.179 4.120 0.037 0.000 0.267 266 V C 0.836 176.764 176.094 -0.276 0.000 1.277 266 V CA 0.279 62.311 62.300 -0.447 0.000 1.096 266 V CB -0.622 30.664 31.823 -0.896 0.000 0.828 266 V HN 0.664 nan 8.190 nan 0.000 0.446 267 N N 1.210 119.784 118.700 -0.211 0.000 2.758 267 N HA -0.209 4.553 4.740 0.037 0.000 0.248 267 N C -0.618 174.858 175.510 -0.056 0.000 1.076 267 N CA 0.756 53.746 53.050 -0.099 0.000 0.696 267 N CB -0.391 38.053 38.487 -0.072 0.000 0.979 267 N HN 0.682 nan 8.380 nan 0.000 0.550 268 D N -0.938 119.437 120.400 -0.041 0.000 2.653 268 D HA 0.214 4.877 4.640 0.037 0.000 0.258 268 D C -1.451 175.010 176.300 0.268 0.000 1.252 268 D CA -0.389 53.665 54.000 0.091 0.000 0.777 268 D CB 1.010 41.869 40.800 0.098 0.000 1.339 268 D HN 0.043 nan 8.370 nan 0.000 0.422 269 Q N 1.328 121.291 119.800 0.273 0.000 2.235 269 Q HA 0.420 4.783 4.340 0.037 0.000 0.250 269 Q C -1.988 174.168 176.000 0.261 0.000 0.909 269 Q CA -1.668 54.301 55.803 0.277 0.000 0.910 269 Q CB 1.145 30.004 28.738 0.201 0.000 1.223 269 Q HN 0.394 nan 8.270 nan 0.000 0.432 270 P HA -0.038 nan 4.420 nan 0.000 0.269 270 P C -0.560 176.784 177.300 0.073 0.000 1.215 270 P CA -0.153 62.690 63.100 -0.429 0.000 0.780 270 P CB 0.713 31.956 31.700 -0.763 0.000 0.898 271 Q N 1.288 121.102 119.800 0.023 0.000 2.313 271 Q HA 0.154 4.516 4.340 0.037 0.000 0.266 271 Q C 0.173 176.288 176.000 0.190 0.000 0.989 271 Q CA -0.277 55.596 55.803 0.117 0.000 0.890 271 Q CB 0.368 29.155 28.738 0.081 0.000 1.200 271 Q HN 0.545 nan 8.270 nan 0.000 0.396 272 T N 0.942 115.530 114.554 0.057 0.000 2.813 272 T HA 0.049 4.421 4.350 0.037 0.000 0.297 272 T C 1.008 175.724 174.700 0.028 0.000 1.036 272 T CA -0.753 61.256 62.100 -0.151 0.000 1.044 272 T CB 0.671 69.327 68.868 -0.354 0.000 0.993 272 T HN 0.672 nan 8.240 nan 0.000 0.535 273 L N 1.010 122.257 121.223 0.040 0.000 2.093 273 L HA 0.004 4.367 4.340 0.037 0.000 0.208 273 L C 2.658 179.538 176.870 0.015 0.000 1.085 273 L CA 1.712 56.572 54.840 0.032 0.000 0.755 273 L CB -1.183 40.771 42.059 -0.175 0.000 0.904 273 L HN 0.788 nan 8.230 nan 0.000 0.435 274 Q N -1.097 118.666 119.800 -0.063 0.000 2.084 274 Q HA -0.186 4.176 4.340 0.037 0.000 0.202 274 Q C 2.543 178.535 176.000 -0.013 0.000 0.978 274 Q CA 1.954 57.722 55.803 -0.059 0.000 0.844 274 Q CB -0.576 28.115 28.738 -0.079 0.000 0.898 274 Q HN 0.577 nan 8.270 nan 0.000 0.426 275 S N -0.559 115.149 115.700 0.013 0.000 2.368 275 S HA -0.157 4.335 4.470 0.037 0.000 0.225 275 S C 1.645 176.295 174.600 0.085 0.000 1.030 275 S CA 0.881 59.104 58.200 0.039 0.000 0.999 275 S CB -0.351 62.879 63.200 0.050 0.000 0.844 275 S HN 0.436 nan 8.310 nan 0.000 0.459 276 F N 2.194 122.127 119.950 -0.028 0.000 2.075 276 F HA 0.013 4.562 4.527 0.038 0.000 0.297 276 F C 1.845 177.631 175.800 -0.024 0.000 1.113 276 F CA 1.600 59.590 58.000 -0.017 0.000 1.218 276 F CB -0.578 38.416 39.000 -0.010 0.000 0.984 276 F HN 0.197 nan 8.300 nan 0.000 0.472 277 L N -0.166 121.005 121.223 -0.088 0.000 2.093 277 L HA -0.197 4.165 4.340 0.037 0.000 0.208 277 L C 2.434 179.200 176.870 -0.173 0.000 1.085 277 L CA 1.479 56.202 54.840 -0.196 0.000 0.755 277 L CB -0.810 41.203 42.059 -0.077 0.000 0.904 277 L HN 0.232 nan 8.230 nan 0.000 0.435 278 Q N 0.749 120.486 119.800 -0.106 0.000 2.224 278 Q HA -0.116 4.247 4.340 0.037 0.000 0.203 278 Q C 1.094 177.037 176.000 -0.095 0.000 0.970 278 Q CA 0.918 56.671 55.803 -0.083 0.000 0.865 278 Q CB 0.060 28.769 28.738 -0.050 0.000 0.922 278 Q HN 0.479 nan 8.270 nan 0.000 0.445 279 E N 0.000 120.129 120.200 -0.119 0.000 2.725 279 E HA 0.000 4.372 4.350 0.037 0.000 0.291 279 E CA 0.000 56.334 56.400 -0.111 0.000 0.976 279 E CB 0.000 29.646 29.700 -0.090 0.000 0.812 279 E HN 0.000 nan 8.360 nan 0.000 0.440