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 1qo5_1_M DATA FIRST_RESID 1 DATA SEQUENCE AHRFPALTQE QKKELSEIAQ SIVANGKGIL AADESVGTMG NRLQRIKVEN DATA SEQUENCE TEENRRQFRE ILFSVDSSIN QSIGGVILFH ETLYQKDSQG KLFRNILKEK DATA SEQUENCE GIVVGIKLDQ GGAPLAGTNK ETTIQGLDGL SERCAQYKKD GVDFGKWRAV DATA SEQUENCE LRIADQCPSS LAIQENANAL ARYASICQQN GLVPIVEPEV IPDGDHDLEH DATA SEQUENCE CQYVTEKVLA AVYKALNDHH VYLEGTLLKP NMVTAGHACT KKYTPEQVAM DATA SEQUENCE ATVTALHRTV PAAVPGICFL SGGMSEEDAT LNLNAINLCP LPKPWKLSFS DATA SEQUENCE YGRALQASAL AAWGGKAANK EATQEAFMKR AMANCQAAKG QYVHTGSSGA DATA SEQUENCE ASTQSLFTAC 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.535 177.584 -0.082 0.000 1.274 1 A CA 0.000 51.899 52.037 -0.230 0.000 0.836 1 A CB 0.000 18.773 19.000 -0.378 0.000 0.831 2 H N -0.395 118.708 119.070 0.055 0.000 4.179 2 H HA 0.495 5.051 4.556 -0.000 0.000 0.413 2 H C 1.584 177.084 175.328 0.286 0.000 1.368 2 H CA 0.549 56.670 56.048 0.122 0.000 1.046 2 H CB -0.242 29.595 29.762 0.125 0.000 0.902 2 H HN 0.957 nan 8.280 nan 0.000 0.774 3 R N 0.727 121.364 120.500 0.229 0.000 3.181 3 R HA -0.341 3.999 4.340 -0.000 0.000 0.675 3 R C -0.073 176.263 176.300 0.060 0.000 0.246 3 R CA 1.993 58.089 56.100 -0.007 0.000 1.920 3 R CB -2.069 28.089 30.300 -0.237 0.000 0.685 3 R HN 0.485 nan 8.270 nan 0.000 0.630 4 F N 1.491 121.413 119.950 -0.046 0.000 2.494 4 F HA -0.114 4.413 4.527 -0.000 0.000 0.177 4 F C -1.543 174.208 175.800 -0.082 0.000 1.046 4 F CA 0.252 58.221 58.000 -0.052 0.000 0.829 4 F CB -1.446 37.529 39.000 -0.043 0.000 0.706 4 F HN 0.392 nan 8.300 nan 0.000 0.834 5 P HA 0.110 nan 4.420 nan 0.000 0.265 5 P C 0.579 177.883 177.300 0.007 0.000 1.193 5 P CA 0.575 63.671 63.100 -0.006 0.000 0.765 5 P CB 1.255 32.937 31.700 -0.030 0.000 0.823 6 A N 4.195 127.018 122.820 0.005 0.000 2.015 6 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 6 A C 1.048 178.630 177.584 -0.003 0.000 1.163 6 A CA 1.106 53.158 52.037 0.025 0.000 0.646 6 A CB -0.395 18.647 19.000 0.069 0.000 0.806 6 A HN 0.564 nan 8.150 nan 0.000 0.448 7 L N -0.949 120.252 121.223 -0.037 0.000 2.393 7 L HA 0.400 4.740 4.340 -0.000 0.000 0.260 7 L C 0.313 177.123 176.870 -0.099 0.000 1.002 7 L CA -0.786 54.003 54.840 -0.085 0.000 0.818 7 L CB 2.275 44.232 42.059 -0.170 0.000 1.369 7 L HN 0.229 nan 8.230 nan 0.000 0.412 8 T N -2.717 111.779 114.554 -0.096 0.000 2.770 8 T HA 0.159 4.509 4.350 -0.000 0.000 0.281 8 T C 0.739 175.368 174.700 -0.119 0.000 0.981 8 T CA -0.470 61.579 62.100 -0.086 0.000 0.955 8 T CB 1.155 69.986 68.868 -0.061 0.000 1.060 8 T HN 0.469 nan 8.240 nan 0.000 0.531 9 Q N 0.156 119.904 119.800 -0.086 0.000 2.050 9 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 9 Q C 2.237 178.184 176.000 -0.088 0.000 0.980 9 Q CA 1.989 57.741 55.803 -0.084 0.000 0.840 9 Q CB -0.695 28.015 28.738 -0.047 0.000 0.898 9 Q HN 0.971 nan 8.270 nan 0.000 0.424 10 E N 0.456 120.617 120.200 -0.066 0.000 2.058 10 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 10 E C 1.783 178.341 176.600 -0.071 0.000 0.997 10 E CA 1.333 57.702 56.400 -0.052 0.000 0.801 10 E CB 0.091 29.769 29.700 -0.037 0.000 0.746 10 E HN 0.467 nan 8.360 nan 0.000 0.450 11 Q N 0.453 120.197 119.800 -0.094 0.000 2.135 11 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 11 Q C 2.189 178.092 176.000 -0.162 0.000 0.981 11 Q CA 1.640 57.380 55.803 -0.105 0.000 0.856 11 Q CB -0.126 28.553 28.738 -0.099 0.000 0.902 11 Q HN 0.186 nan 8.270 nan 0.000 0.425 12 K N 1.101 121.331 120.400 -0.284 0.000 2.026 12 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 12 K C 2.095 178.639 176.600 -0.093 0.000 1.048 12 K CA 1.291 57.297 56.287 -0.468 0.000 0.929 12 K CB -0.107 31.984 32.500 -0.682 0.000 0.713 12 K HN 0.070 nan 8.250 nan 0.000 0.439 13 K N 1.553 121.925 120.400 -0.047 0.000 2.063 13 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 13 K C 2.161 178.779 176.600 0.031 0.000 1.048 13 K CA 1.885 58.182 56.287 0.018 0.000 0.928 13 K CB 0.001 32.502 32.500 0.002 0.000 0.713 13 K HN 0.186 nan 8.250 nan 0.000 0.442 14 E N 0.582 120.786 120.200 0.007 0.000 2.028 14 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 14 E C 2.104 178.731 176.600 0.045 0.000 0.988 14 E CA 1.248 57.660 56.400 0.019 0.000 0.799 14 E CB -0.123 29.582 29.700 0.010 0.000 0.755 14 E HN 0.370 nan 8.360 nan 0.000 0.447 15 L N 0.838 122.093 121.223 0.053 0.000 2.131 15 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 15 L C 2.840 179.789 176.870 0.132 0.000 1.092 15 L CA 1.235 56.139 54.840 0.106 0.000 0.759 15 L CB -0.455 41.691 42.059 0.144 0.000 0.903 15 L HN 0.165 nan 8.230 nan 0.000 0.435 16 S N -0.175 115.630 115.700 0.175 0.000 2.387 16 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 16 S C 1.863 176.498 174.600 0.058 0.000 1.026 16 S CA 1.169 59.446 58.200 0.129 0.000 0.972 16 S CB -0.070 63.235 63.200 0.175 0.000 0.814 16 S HN 0.456 nan 8.310 nan 0.000 0.477 17 E N 0.406 120.637 120.200 0.052 0.000 2.110 17 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 17 E C 1.936 178.545 176.600 0.014 0.000 0.988 17 E CA 1.507 57.923 56.400 0.027 0.000 0.804 17 E CB -0.183 29.531 29.700 0.023 0.000 0.745 17 E HN 0.599 nan 8.360 nan 0.000 0.458 18 I N 0.617 121.201 120.570 0.022 0.000 2.233 18 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 18 I C 2.495 178.591 176.117 -0.035 0.000 1.093 18 I CA 0.770 62.076 61.300 0.009 0.000 1.380 18 I CB -0.262 37.764 38.000 0.044 0.000 1.067 18 I HN 0.082 nan 8.210 nan 0.000 0.413 19 A N 0.567 123.371 122.820 -0.026 0.000 1.908 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 19 A C 2.241 179.774 177.584 -0.084 0.000 1.181 19 A CA 1.594 53.584 52.037 -0.077 0.000 0.627 19 A CB -0.607 18.365 19.000 -0.048 0.000 0.818 19 A HN 0.527 nan 8.150 nan 0.000 0.445 20 Q N 0.053 119.827 119.800 -0.045 0.000 2.230 20 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 20 Q C 2.336 178.303 176.000 -0.055 0.000 0.963 20 Q CA 1.466 57.242 55.803 -0.045 0.000 0.866 20 Q CB -0.347 28.379 28.738 -0.021 0.000 0.931 20 Q HN 0.833 nan 8.270 nan 0.000 0.452 21 S N 1.212 116.882 115.700 -0.050 0.000 2.368 21 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 21 S C 1.994 176.547 174.600 -0.079 0.000 1.029 21 S CA 0.685 58.856 58.200 -0.047 0.000 0.988 21 S CB -0.474 62.709 63.200 -0.029 0.000 0.838 21 S HN 0.324 nan 8.310 nan 0.000 0.462 22 I N 1.983 122.478 120.570 -0.125 0.000 2.454 22 I HA -0.075 4.095 4.170 -0.000 0.000 0.254 22 I C 1.775 177.780 176.117 -0.187 0.000 1.156 22 I CA 1.256 62.446 61.300 -0.183 0.000 1.433 22 I CB -0.214 37.593 38.000 -0.322 0.000 1.082 22 I HN 0.436 nan 8.210 nan 0.000 0.432 23 V N -2.973 116.846 119.914 -0.158 0.000 3.176 23 V HA 0.472 4.592 4.120 -0.000 0.000 0.332 23 V C 1.833 177.875 176.094 -0.086 0.000 1.414 23 V CA 0.243 62.453 62.300 -0.151 0.000 1.133 23 V CB -0.225 31.503 31.823 -0.158 0.000 1.088 23 V HN 0.144 nan 8.190 nan 0.000 0.473 24 A N 2.346 125.125 122.820 -0.068 0.000 1.883 24 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 24 A C 1.080 178.651 177.584 -0.022 0.000 1.186 24 A CA 2.189 54.204 52.037 -0.037 0.000 0.624 24 A CB -0.549 18.434 19.000 -0.029 0.000 0.822 24 A HN 0.779 nan 8.150 nan 0.000 0.444 25 N N -2.500 116.191 118.700 -0.015 0.000 2.726 25 N HA 0.454 5.194 4.740 -0.000 0.000 0.253 25 N C 0.282 175.803 175.510 0.018 0.000 1.530 25 N CA 0.409 53.462 53.050 0.004 0.000 0.772 25 N CB 1.041 39.532 38.487 0.006 0.000 1.220 25 N HN 0.561 nan 8.380 nan 0.000 0.508 26 G N 0.313 109.126 108.800 0.021 0.000 2.205 26 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.261 26 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.261 26 G C 0.074 175.003 174.900 0.049 0.000 0.980 26 G CA 0.202 45.333 45.100 0.052 0.000 0.632 26 G HN 0.455 nan 8.290 nan 0.000 0.533 27 K N 0.553 120.948 120.400 -0.009 0.000 2.230 27 K HA 0.518 4.838 4.320 -0.000 0.000 0.253 27 K C 0.981 177.417 176.600 -0.273 0.000 1.008 27 K CA 0.149 56.407 56.287 -0.048 0.000 0.910 27 K CB 0.716 33.184 32.500 -0.053 0.000 0.994 27 K HN 0.411 nan 8.250 nan 0.000 0.495 28 G N 0.441 108.901 108.800 -0.568 0.000 3.243 28 G HA2 0.660 4.620 3.960 -0.000 0.000 0.248 28 G HA3 0.660 4.620 3.960 -0.000 0.000 0.248 28 G C -1.141 173.310 174.900 -0.748 0.000 1.267 28 G CA -0.884 43.398 45.100 -1.363 0.000 0.906 28 G HN 0.470 nan 8.290 nan 0.000 0.592 29 I N 0.421 120.551 120.570 -0.735 0.000 2.533 29 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 29 I C -1.181 174.968 176.117 0.053 0.000 1.056 29 I CA -0.698 60.475 61.300 -0.211 0.000 1.057 29 I CB 2.349 40.236 38.000 -0.188 0.000 1.240 29 I HN 0.336 nan 8.210 nan 0.000 0.423 30 L N 7.129 128.444 121.223 0.153 0.000 2.260 30 L HA 0.634 4.974 4.340 -0.000 0.000 0.289 30 L C 0.205 177.176 176.870 0.167 0.000 1.057 30 L CA 0.115 55.101 54.840 0.243 0.000 0.811 30 L CB 1.137 43.353 42.059 0.262 0.000 1.184 30 L HN 0.668 nan 8.230 nan 0.000 0.429 31 A N 4.941 127.870 122.820 0.182 0.000 2.923 31 A HA 0.627 4.947 4.320 -0.000 0.000 0.306 31 A C 0.910 178.557 177.584 0.106 0.000 1.542 31 A CA 0.150 52.269 52.037 0.137 0.000 1.225 31 A CB -0.364 18.719 19.000 0.138 0.000 1.147 31 A HN 1.072 nan 8.150 nan 0.000 0.542 32 A N 1.987 124.865 122.820 0.097 0.000 2.370 32 A HA 0.196 4.516 4.320 -0.000 0.000 0.238 32 A C 0.936 178.574 177.584 0.090 0.000 1.289 32 A CA 0.480 52.576 52.037 0.098 0.000 0.885 32 A CB -0.205 18.900 19.000 0.175 0.000 0.961 32 A HN 0.718 nan 8.150 nan 0.000 0.499 33 D N 0.145 120.589 120.400 0.072 0.000 2.344 33 D HA 0.029 4.669 4.640 -0.000 0.000 0.242 33 D C -0.430 175.862 176.300 -0.014 0.000 1.159 33 D CA -0.141 53.910 54.000 0.084 0.000 0.859 33 D CB -0.380 40.466 40.800 0.076 0.000 0.925 33 D HN 0.381 nan 8.370 nan 0.000 0.510 34 E N 0.912 121.074 120.200 -0.063 0.000 2.502 34 E HA 0.087 4.437 4.350 -0.000 0.000 0.261 34 E C 0.741 177.089 176.600 -0.419 0.000 0.974 34 E CA 0.054 56.349 56.400 -0.176 0.000 0.936 34 E CB 0.473 30.099 29.700 -0.124 0.000 0.926 34 E HN 0.332 nan 8.360 nan 0.000 0.459 35 S N 1.289 116.648 115.700 -0.570 0.000 2.686 35 S HA 0.162 4.632 4.470 -0.000 0.000 0.270 35 S C 1.260 175.517 174.600 -0.572 0.000 1.194 35 S CA -0.706 56.839 58.200 -1.092 0.000 0.990 35 S CB 0.855 63.574 63.200 -0.801 0.000 1.029 35 S HN 0.279 nan 8.310 nan 0.000 0.560 36 V N 1.524 121.169 119.914 -0.449 0.000 2.252 36 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 36 V C 2.799 178.823 176.094 -0.116 0.000 1.056 36 V CA 2.496 64.720 62.300 -0.128 0.000 1.022 36 V CB -1.898 29.938 31.823 0.022 0.000 0.641 36 V HN 1.046 nan 8.190 nan 0.000 0.445 37 G N -0.706 108.015 108.800 -0.132 0.000 2.422 37 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 37 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 37 G C 1.670 176.502 174.900 -0.114 0.000 1.146 37 G CA 1.484 46.523 45.100 -0.102 0.000 0.769 37 G HN 0.502 nan 8.290 nan 0.000 0.547 38 T N 0.868 115.328 114.554 -0.157 0.000 2.812 38 T HA -0.093 4.257 4.350 -0.000 0.000 0.264 38 T C 2.290 176.916 174.700 -0.123 0.000 1.042 38 T CA 1.388 63.402 62.100 -0.143 0.000 1.140 38 T CB -0.166 68.601 68.868 -0.169 0.000 0.870 38 T HN 0.180 nan 8.240 nan 0.000 0.445 39 M N 1.825 121.346 119.600 -0.132 0.000 2.229 39 M HA 0.154 4.634 4.480 -0.000 0.000 0.264 39 M C 2.235 178.492 176.300 -0.072 0.000 1.063 39 M CA 1.048 56.291 55.300 -0.095 0.000 1.114 39 M CB -1.016 31.535 32.600 -0.082 0.000 1.387 39 M HN 0.256 nan 8.290 nan 0.000 0.420 40 G N 0.276 109.036 108.800 -0.066 0.000 2.476 40 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 40 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 40 G C 1.426 176.293 174.900 -0.054 0.000 1.164 40 G CA 1.202 46.274 45.100 -0.047 0.000 0.768 40 G HN 0.509 nan 8.290 nan 0.000 0.560 41 N N 0.735 119.394 118.700 -0.069 0.000 2.069 41 N HA -0.093 4.647 4.740 -0.000 0.000 0.191 41 N C 2.340 177.809 175.510 -0.069 0.000 1.031 41 N CA 0.942 53.951 53.050 -0.069 0.000 0.852 41 N CB -0.343 38.094 38.487 -0.083 0.000 1.018 41 N HN 0.188 nan 8.380 nan 0.000 0.423 42 R N 1.124 121.576 120.500 -0.080 0.000 2.080 42 R HA -0.016 4.324 4.340 -0.000 0.000 0.236 42 R C 2.465 178.714 176.300 -0.085 0.000 1.137 42 R CA 0.728 56.774 56.100 -0.090 0.000 0.943 42 R CB -1.241 28.991 30.300 -0.115 0.000 0.846 42 R HN 0.325 nan 8.270 nan 0.000 0.431 43 L N 0.882 122.062 121.223 -0.071 0.000 2.083 43 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 43 L C 2.692 179.538 176.870 -0.040 0.000 1.083 43 L CA 1.070 55.887 54.840 -0.039 0.000 0.752 43 L CB -0.510 41.552 42.059 0.004 0.000 0.899 43 L HN 0.127 nan 8.230 nan 0.000 0.433 44 Q N 0.921 120.697 119.800 -0.041 0.000 2.133 44 Q HA -0.258 4.082 4.340 -0.000 0.000 0.208 44 Q C 2.193 178.169 176.000 -0.039 0.000 0.991 44 Q CA 1.826 57.606 55.803 -0.038 0.000 0.867 44 Q CB -0.251 28.465 28.738 -0.037 0.000 0.911 44 Q HN 0.280 nan 8.270 nan 0.000 0.417 45 R N -0.208 120.268 120.500 -0.041 0.000 2.139 45 R HA -0.104 4.236 4.340 -0.000 0.000 0.243 45 R C 1.505 177.784 176.300 -0.035 0.000 1.145 45 R CA 1.498 57.577 56.100 -0.034 0.000 0.976 45 R CB -0.467 29.812 30.300 -0.034 0.000 0.866 45 R HN 0.535 nan 8.270 nan 0.000 0.449 46 I N -1.751 118.792 120.570 -0.045 0.000 3.731 46 I HA 0.229 4.399 4.170 -0.000 0.000 0.341 46 I C -0.919 175.153 176.117 -0.075 0.000 1.532 46 I CA -0.601 60.667 61.300 -0.052 0.000 1.163 46 I CB 0.143 38.116 38.000 -0.046 0.000 1.339 46 I HN -0.148 nan 8.210 nan 0.000 0.449 47 K N 1.015 121.379 120.400 -0.059 0.000 4.116 47 K HA -0.125 4.195 4.320 -0.000 0.000 0.277 47 K C -0.779 175.768 176.600 -0.088 0.000 0.835 47 K CA 0.287 56.536 56.287 -0.064 0.000 0.740 47 K CB -1.065 31.400 32.500 -0.058 0.000 1.714 47 K HN 0.429 nan 8.250 nan 0.000 0.433 48 V N 1.019 120.884 119.914 -0.082 0.000 2.577 48 V HA 0.132 4.252 4.120 -0.000 0.000 0.303 48 V C 0.194 176.266 176.094 -0.036 0.000 1.042 48 V CA -0.874 61.371 62.300 -0.091 0.000 0.872 48 V CB 1.793 33.545 31.823 -0.119 0.000 0.998 48 V HN 0.428 nan 8.190 nan 0.000 0.423 49 E N 4.202 124.385 120.200 -0.029 0.000 2.366 49 E HA 0.007 4.357 4.350 -0.000 0.000 0.266 49 E C 0.354 176.965 176.600 0.018 0.000 1.015 49 E CA -0.068 56.327 56.400 -0.008 0.000 0.906 49 E CB 0.420 30.115 29.700 -0.008 0.000 0.979 49 E HN 0.740 nan 8.360 nan 0.000 0.443 50 N N 4.142 122.851 118.700 0.014 0.000 2.498 50 N HA -0.006 4.734 4.740 -0.000 0.000 0.277 50 N C -1.129 174.404 175.510 0.038 0.000 1.208 50 N CA 0.102 53.167 53.050 0.025 0.000 1.029 50 N CB 0.439 38.929 38.487 0.006 0.000 1.403 50 N HN 0.269 nan 8.380 nan 0.000 0.500 51 T N 1.426 116.015 114.554 0.059 0.000 2.908 51 T HA 0.078 4.428 4.350 -0.000 0.000 0.290 51 T C 1.053 175.805 174.700 0.087 0.000 1.034 51 T CA -0.594 61.546 62.100 0.065 0.000 1.010 51 T CB 1.992 70.898 68.868 0.063 0.000 1.068 51 T HN 0.503 nan 8.240 nan 0.000 0.481 52 E N 1.232 121.483 120.200 0.086 0.000 2.070 52 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 52 E C 1.551 178.217 176.600 0.109 0.000 1.004 52 E CA 1.681 58.143 56.400 0.103 0.000 0.805 52 E CB 0.093 29.850 29.700 0.096 0.000 0.744 52 E HN 0.605 nan 8.360 nan 0.000 0.451 53 E N 0.639 120.898 120.200 0.098 0.000 2.118 53 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 53 E C 1.697 178.389 176.600 0.152 0.000 0.992 53 E CA 1.361 57.826 56.400 0.108 0.000 0.804 53 E CB -0.137 29.616 29.700 0.088 0.000 0.741 53 E HN 0.216 nan 8.360 nan 0.000 0.458 54 N N 0.039 118.843 118.700 0.173 0.000 2.171 54 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 54 N C 1.751 177.415 175.510 0.256 0.000 1.021 54 N CA 0.870 54.095 53.050 0.292 0.000 0.854 54 N CB -0.177 38.470 38.487 0.267 0.000 0.994 54 N HN 0.156 nan 8.380 nan 0.000 0.426 55 R N 0.772 121.367 120.500 0.158 0.000 2.083 55 R HA -0.058 4.282 4.340 -0.000 0.000 0.237 55 R C 2.244 178.593 176.300 0.081 0.000 1.137 55 R CA 1.013 57.176 56.100 0.104 0.000 0.951 55 R CB -0.214 30.148 30.300 0.104 0.000 0.851 55 R HN 0.236 nan 8.270 nan 0.000 0.434 56 R N 1.061 121.636 120.500 0.126 0.000 2.092 56 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 56 R C 2.004 178.375 176.300 0.119 0.000 1.119 56 R CA 1.517 57.720 56.100 0.172 0.000 0.970 56 R CB 0.012 30.413 30.300 0.168 0.000 0.864 56 R HN 0.315 nan 8.270 nan 0.000 0.440 57 Q N -0.599 119.263 119.800 0.103 0.000 2.079 57 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 57 Q C 1.850 177.731 176.000 -0.197 0.000 0.974 57 Q CA 1.633 57.475 55.803 0.065 0.000 0.840 57 Q CB -0.170 28.722 28.738 0.257 0.000 0.898 57 Q HN 0.269 nan 8.270 nan 0.000 0.430 58 F N 1.476 121.065 119.950 -0.601 0.000 2.069 58 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 58 F C 2.058 177.396 175.800 -0.771 0.000 1.113 58 F CA 1.628 59.016 58.000 -1.019 0.000 1.214 58 F CB -0.074 38.262 39.000 -1.106 0.000 0.978 58 F HN -0.129 nan 8.300 nan 0.000 0.474 59 R N 0.165 120.203 120.500 -0.770 0.000 2.117 59 R HA -0.226 4.114 4.340 -0.000 0.000 0.243 59 R C 2.342 177.778 176.300 -1.440 0.000 1.143 59 R CA 1.767 57.085 56.100 -1.303 0.000 0.968 59 R CB -0.646 28.958 30.300 -1.161 0.000 0.863 59 R HN 0.524 nan 8.270 nan 0.000 0.444 60 E N 0.918 120.666 120.200 -0.753 0.000 2.106 60 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 60 E C 1.817 178.178 176.600 -0.398 0.000 0.984 60 E CA 1.017 57.184 56.400 -0.389 0.000 0.806 60 E CB 0.008 29.774 29.700 0.110 0.000 0.750 60 E HN 0.347 nan 8.360 nan 0.000 0.458 61 I N 1.042 121.308 120.570 -0.505 0.000 2.226 61 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 61 I C 2.467 178.310 176.117 -0.457 0.000 1.100 61 I CA 0.871 61.920 61.300 -0.417 0.000 1.374 61 I CB -0.210 37.515 38.000 -0.458 0.000 1.057 61 I HN 0.202 nan 8.210 nan 0.000 0.413 62 L N -0.132 120.629 121.223 -0.770 0.000 2.056 62 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 62 L C 2.331 179.058 176.870 -0.238 0.000 1.078 62 L CA 1.594 56.012 54.840 -0.704 0.000 0.749 62 L CB -0.559 40.835 42.059 -1.108 0.000 0.901 62 L HN 0.234 nan 8.230 nan 0.000 0.433 63 F N -0.652 119.046 119.950 -0.420 0.000 2.780 63 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 63 F C 2.254 177.987 175.800 -0.111 0.000 1.146 63 F CA 0.186 58.026 58.000 -0.268 0.000 1.428 63 F CB -0.108 38.670 39.000 -0.369 0.000 1.115 63 F HN 0.181 nan 8.300 nan 0.000 0.583 64 S N -0.875 114.864 115.700 0.066 0.000 2.557 64 S HA 0.150 4.620 4.470 -0.000 0.000 0.223 64 S C 0.445 175.087 174.600 0.069 0.000 0.969 64 S CA -0.345 57.900 58.200 0.074 0.000 0.927 64 S CB -0.800 62.427 63.200 0.045 0.000 0.806 64 S HN -0.045 nan 8.310 nan 0.000 0.489 65 V N 3.229 123.199 119.914 0.093 0.000 3.083 65 V HA -0.028 4.092 4.120 -0.000 0.000 0.303 65 V C 0.842 176.981 176.094 0.075 0.000 1.151 65 V CA 0.303 62.666 62.300 0.104 0.000 1.275 65 V CB -0.018 31.928 31.823 0.205 0.000 0.950 65 V HN 0.607 nan 8.190 nan 0.000 0.506 66 D N 2.934 123.365 120.400 0.051 0.000 2.571 66 D HA -0.089 4.551 4.640 -0.000 0.000 0.231 66 D C 0.819 177.139 176.300 0.033 0.000 1.133 66 D CA 0.749 54.770 54.000 0.035 0.000 0.862 66 D CB 0.499 41.312 40.800 0.022 0.000 1.179 66 D HN 0.794 nan 8.370 nan 0.000 0.474 67 S N 2.442 118.159 115.700 0.030 0.000 2.926 67 S HA -0.169 4.301 4.470 -0.000 0.000 0.288 67 S C 1.076 175.687 174.600 0.018 0.000 0.796 67 S CA 0.319 58.535 58.200 0.026 0.000 2.124 67 S CB -0.852 62.361 63.200 0.020 0.000 1.323 67 S HN 0.461 nan 8.310 nan 0.000 0.684 68 S N 2.740 118.457 115.700 0.027 0.000 2.991 68 S HA -0.104 4.366 4.470 -0.000 0.000 0.256 68 S C 0.808 175.414 174.600 0.009 0.000 1.021 68 S CA 0.378 58.595 58.200 0.029 0.000 1.084 68 S CB -1.858 61.382 63.200 0.066 0.000 0.839 68 S HN 1.427 nan 8.310 nan 0.000 0.544 69 I N -1.387 119.185 120.570 0.004 0.000 6.822 69 I HA -0.349 3.821 4.170 -0.000 0.000 0.126 69 I C 0.727 176.847 176.117 0.005 0.000 1.756 69 I CA 0.948 62.242 61.300 -0.010 0.000 2.250 69 I CB -2.968 35.015 38.000 -0.029 0.000 3.407 69 I HN 0.401 nan 8.210 nan 0.000 0.229 70 N N 1.672 120.380 118.700 0.013 0.000 2.287 70 N HA -0.406 4.333 4.740 -0.000 0.000 0.195 70 N C 1.755 177.269 175.510 0.008 0.000 0.922 70 N CA 2.648 55.704 53.050 0.010 0.000 0.929 70 N CB -0.119 38.372 38.487 0.007 0.000 1.068 70 N HN 0.972 nan 8.380 nan 0.000 0.696 71 Q N -0.935 118.868 119.800 0.005 0.000 2.435 71 Q HA 0.106 4.446 4.340 -0.000 0.000 0.207 71 Q C 1.110 177.121 176.000 0.019 0.000 0.956 71 Q CA 1.184 56.992 55.803 0.008 0.000 0.917 71 Q CB 0.540 29.280 28.738 0.005 0.000 0.997 71 Q HN 0.173 nan 8.270 nan 0.000 0.497 72 S N -0.258 115.458 115.700 0.027 0.000 2.665 72 S HA 0.282 4.752 4.470 -0.000 0.000 0.240 72 S C 0.271 174.952 174.600 0.135 0.000 1.081 72 S CA -0.362 57.883 58.200 0.075 0.000 0.887 72 S CB 0.656 63.870 63.200 0.024 0.000 0.805 72 S HN 0.196 nan 8.310 nan 0.000 0.486 73 I N 2.718 123.337 120.570 0.083 0.000 2.312 73 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 73 I C 1.316 177.439 176.117 0.011 0.000 1.008 73 I CA -0.215 61.133 61.300 0.080 0.000 1.226 73 I CB 0.653 38.732 38.000 0.133 0.000 1.371 73 I HN 0.284 nan 8.210 nan 0.000 0.468 74 G N 4.661 113.429 108.800 -0.053 0.000 2.595 74 G HA2 0.375 4.335 3.960 -0.000 0.000 0.213 74 G HA3 0.375 4.335 3.960 -0.000 0.000 0.213 74 G C 0.570 175.441 174.900 -0.049 0.000 1.141 74 G CA 0.399 45.458 45.100 -0.069 0.000 0.806 74 G HN 0.734 nan 8.290 nan 0.000 0.530 75 G N -1.523 107.256 108.800 -0.035 0.000 2.660 75 G HA2 0.501 4.461 3.960 -0.000 0.000 0.290 75 G HA3 0.501 4.461 3.960 -0.000 0.000 0.290 75 G C -2.170 172.799 174.900 0.116 0.000 1.432 75 G CA -0.390 44.760 45.100 0.084 0.000 0.807 75 G HN 0.407 nan 8.290 nan 0.000 0.485 76 V N 1.019 121.017 119.914 0.140 0.000 2.623 76 V HA 0.447 4.567 4.120 -0.000 0.000 0.304 76 V C -0.381 175.695 176.094 -0.031 0.000 1.054 76 V CA -0.607 61.700 62.300 0.011 0.000 0.882 76 V CB 1.747 33.439 31.823 -0.218 0.000 1.002 76 V HN 0.680 nan 8.190 nan 0.000 0.424 77 I N 5.671 126.248 120.570 0.010 0.000 2.315 77 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 77 I C -0.540 175.543 176.117 -0.055 0.000 1.006 77 I CA -0.290 60.970 61.300 -0.067 0.000 1.265 77 I CB 1.177 39.209 38.000 0.053 0.000 1.387 77 I HN 0.354 nan 8.210 nan 0.000 0.475 78 L N 5.563 126.718 121.223 -0.113 0.000 2.330 78 L HA 0.493 4.833 4.340 -0.000 0.000 0.271 78 L C -0.251 176.654 176.870 0.058 0.000 1.013 78 L CA -0.792 54.041 54.840 -0.012 0.000 0.816 78 L CB 1.805 43.815 42.059 -0.082 0.000 1.287 78 L HN 0.378 nan 8.230 nan 0.000 0.435 79 F N 0.958 120.896 119.950 -0.021 0.000 2.410 79 F HA 0.139 4.666 4.527 -0.000 0.000 0.334 79 F C 1.778 177.618 175.800 0.066 0.000 1.134 79 F CA -0.035 57.975 58.000 0.017 0.000 1.227 79 F CB 0.379 39.406 39.000 0.046 0.000 1.194 79 F HN 0.497 nan 8.300 nan 0.000 0.571 80 H N 3.060 121.754 119.070 -0.627 0.000 2.362 80 H HA -0.243 4.313 4.556 -0.000 0.000 0.294 80 H C 1.904 177.088 175.328 -0.240 0.000 1.113 80 H CA 2.522 58.331 56.048 -0.398 0.000 1.253 80 H CB 0.061 29.591 29.762 -0.385 0.000 1.363 80 H HN 0.876 nan 8.280 nan 0.000 0.494 81 E N -0.181 119.811 120.200 -0.346 0.000 2.017 81 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 81 E C 2.026 178.667 176.600 0.070 0.000 0.997 81 E CA 1.898 58.290 56.400 -0.013 0.000 0.804 81 E CB -0.399 29.364 29.700 0.105 0.000 0.757 81 E HN 0.271 nan 8.360 nan 0.000 0.448 82 T N 1.269 115.905 114.554 0.136 0.000 2.849 82 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 82 T C 1.636 176.424 174.700 0.145 0.000 1.066 82 T CA 1.073 63.316 62.100 0.238 0.000 1.130 82 T CB -0.265 68.764 68.868 0.268 0.000 0.864 82 T HN 0.128 nan 8.240 nan 0.000 0.481 83 L N 0.207 121.360 121.223 -0.118 0.000 2.141 83 L HA 0.026 4.366 4.340 -0.000 0.000 0.209 83 L C 1.138 177.636 176.870 -0.621 0.000 1.094 83 L CA 1.611 56.209 54.840 -0.403 0.000 0.763 83 L CB -0.591 41.053 42.059 -0.691 0.000 0.908 83 L HN 0.350 nan 8.230 nan 0.000 0.437 84 Y N -1.153 119.091 120.300 -0.094 0.000 2.485 84 Y HA 0.294 4.844 4.550 -0.000 0.000 0.260 84 Y C 0.982 176.832 175.900 -0.084 0.000 1.173 84 Y CA -0.555 57.491 58.100 -0.091 0.000 1.252 84 Y CB -0.121 38.264 38.460 -0.126 0.000 1.123 84 Y HN 0.252 nan 8.280 nan 0.000 0.524 85 Q N 0.555 120.343 119.800 -0.021 0.000 2.185 85 Q HA 0.482 4.822 4.340 -0.000 0.000 0.225 85 Q C -0.559 175.028 176.000 -0.687 0.000 0.983 85 Q CA -0.681 54.994 55.803 -0.214 0.000 0.950 85 Q CB 1.446 30.140 28.738 -0.073 0.000 1.176 85 Q HN 0.117 nan 8.270 nan 0.000 0.510 86 K N 0.599 120.449 120.400 -0.917 0.000 2.477 86 K HA 0.192 4.512 4.320 -0.000 0.000 0.255 86 K C -1.192 174.914 176.600 -0.823 0.000 0.952 86 K CA -0.770 55.038 56.287 -0.797 0.000 0.826 86 K CB 1.501 33.805 32.500 -0.327 0.000 1.331 86 K HN 0.635 nan 8.250 nan 0.000 0.437 87 D N -0.340 119.818 120.400 -0.402 0.000 2.376 87 D HA 0.025 4.665 4.640 -0.000 0.000 0.268 87 D C 0.396 176.665 176.300 -0.051 0.000 1.252 87 D CA -0.287 53.688 54.000 -0.043 0.000 1.041 87 D CB 0.168 41.041 40.800 0.122 0.000 1.109 87 D HN 0.204 nan 8.370 nan 0.000 0.552 88 S N -1.811 113.901 115.700 0.019 0.000 2.607 88 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 88 S C 0.510 175.113 174.600 0.006 0.000 0.969 88 S CA 0.130 58.338 58.200 0.014 0.000 0.927 88 S CB -0.480 62.742 63.200 0.038 0.000 0.772 88 S HN 0.532 nan 8.310 nan 0.000 0.533 89 Q N -0.588 119.212 119.800 -0.000 0.000 2.158 89 Q HA 0.496 4.836 4.340 -0.000 0.000 0.306 89 Q C 0.652 176.642 176.000 -0.017 0.000 0.878 89 Q CA -0.165 55.636 55.803 -0.003 0.000 1.136 89 Q CB 0.295 29.038 28.738 0.009 0.000 1.253 89 Q HN 0.162 nan 8.270 nan 0.000 0.441 90 G N 1.670 110.444 108.800 -0.042 0.000 2.179 90 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.257 90 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.257 90 G C -0.025 174.842 174.900 -0.055 0.000 1.010 90 G CA 0.731 45.797 45.100 -0.057 0.000 0.736 90 G HN 0.422 nan 8.290 nan 0.000 0.513 91 K N 0.033 120.405 120.400 -0.046 0.000 2.205 91 K HA 0.626 4.946 4.320 -0.000 0.000 0.279 91 K C 0.916 177.481 176.600 -0.058 0.000 1.027 91 K CA -0.883 55.390 56.287 -0.024 0.000 0.932 91 K CB 0.348 32.858 32.500 0.015 0.000 1.032 91 K HN 0.169 nan 8.250 nan 0.000 0.466 92 L N 5.025 126.222 121.223 -0.044 0.000 2.461 92 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 92 L C 1.098 177.997 176.870 0.047 0.000 1.197 92 L CA -0.380 54.417 54.840 -0.071 0.000 0.836 92 L CB 0.178 42.216 42.059 -0.034 0.000 1.105 92 L HN 0.759 nan 8.230 nan 0.000 0.477 93 F N 1.584 121.549 119.950 0.024 0.000 2.065 93 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 93 F C 2.529 178.309 175.800 -0.034 0.000 1.112 93 F CA 1.936 59.977 58.000 0.069 0.000 1.212 93 F CB -0.743 38.359 39.000 0.170 0.000 0.975 93 F HN 0.576 nan 8.300 nan 0.000 0.476 94 R N 0.294 120.869 120.500 0.124 0.000 2.170 94 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 94 R C 1.499 177.783 176.300 -0.027 0.000 1.145 94 R CA 1.981 58.058 56.100 -0.038 0.000 0.984 94 R CB -0.668 29.567 30.300 -0.109 0.000 0.869 94 R HN 0.205 nan 8.270 nan 0.000 0.455 95 N N 0.384 119.092 118.700 0.013 0.000 2.415 95 N HA 0.074 4.814 4.740 -0.000 0.000 0.176 95 N C 1.677 177.200 175.510 0.022 0.000 1.042 95 N CA 0.717 53.771 53.050 0.008 0.000 0.902 95 N CB 0.074 38.567 38.487 0.011 0.000 0.986 95 N HN 0.270 nan 8.380 nan 0.000 0.447 96 I N 0.735 121.340 120.570 0.059 0.000 2.252 96 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 96 I C 1.891 178.018 176.117 0.017 0.000 1.102 96 I CA 0.843 62.184 61.300 0.070 0.000 1.385 96 I CB -0.055 38.034 38.000 0.148 0.000 1.064 96 I HN 0.020 nan 8.210 nan 0.000 0.414 97 L N 0.147 121.347 121.223 -0.039 0.000 2.056 97 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 97 L C 2.502 179.336 176.870 -0.059 0.000 1.078 97 L CA 1.397 56.175 54.840 -0.104 0.000 0.749 97 L CB -0.539 41.366 42.059 -0.256 0.000 0.901 97 L HN 0.120 nan 8.230 nan 0.000 0.433 98 K N -0.071 120.303 120.400 -0.044 0.000 2.148 98 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 98 K C 1.965 178.560 176.600 -0.009 0.000 1.050 98 K CA 1.036 57.309 56.287 -0.025 0.000 0.942 98 K CB -0.011 32.477 32.500 -0.021 0.000 0.724 98 K HN 0.394 nan 8.250 nan 0.000 0.446 99 E N 0.780 120.979 120.200 -0.001 0.000 2.110 99 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 99 E C 1.732 178.337 176.600 0.008 0.000 0.988 99 E CA 0.978 57.382 56.400 0.006 0.000 0.804 99 E CB 0.014 29.722 29.700 0.014 0.000 0.745 99 E HN 0.160 nan 8.360 nan 0.000 0.458 100 K N -0.264 120.140 120.400 0.007 0.000 2.555 100 K HA -0.051 4.269 4.320 -0.000 0.000 0.193 100 K C 0.731 177.335 176.600 0.006 0.000 1.032 100 K CA 0.605 56.898 56.287 0.010 0.000 1.004 100 K CB 0.127 32.635 32.500 0.013 0.000 0.804 100 K HN 0.264 nan 8.250 nan 0.000 0.496 101 G N 1.040 109.840 108.800 0.001 0.000 2.132 101 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.228 101 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.228 101 G C -0.056 174.843 174.900 -0.002 0.000 1.000 101 G CA -0.068 45.033 45.100 0.001 0.000 0.693 101 G HN 0.241 nan 8.290 nan 0.000 0.515 102 I N 0.891 121.456 120.570 -0.009 0.000 2.359 102 I HA 0.364 4.534 4.170 -0.000 0.000 0.294 102 I C 0.877 176.995 176.117 0.001 0.000 0.987 102 I CA -1.171 60.123 61.300 -0.010 0.000 1.225 102 I CB 1.766 39.747 38.000 -0.031 0.000 1.366 102 I HN -0.130 nan 8.210 nan 0.000 0.466 103 V N 7.080 127.020 119.914 0.044 0.000 2.555 103 V HA 0.110 4.230 4.120 -0.000 0.000 0.286 103 V C 0.322 176.506 176.094 0.150 0.000 1.044 103 V CA -0.422 61.944 62.300 0.111 0.000 1.026 103 V CB 1.278 33.201 31.823 0.167 0.000 0.981 103 V HN 0.380 nan 8.190 nan 0.000 0.480 104 V N 4.134 124.062 119.914 0.023 0.000 2.481 104 V HA 0.781 4.901 4.120 -0.000 0.000 0.286 104 V C 0.726 176.541 176.094 -0.465 0.000 1.042 104 V CA -0.013 62.194 62.300 -0.155 0.000 0.928 104 V CB 1.405 33.114 31.823 -0.190 0.000 0.986 104 V HN 1.022 nan 8.190 nan 0.000 0.462 105 G N 2.971 111.237 108.800 -0.889 0.000 2.537 105 G HA2 0.762 4.722 3.960 -0.000 0.000 0.308 105 G HA3 0.762 4.722 3.960 -0.000 0.000 0.308 105 G C -1.672 172.779 174.900 -0.748 0.000 1.237 105 G CA -0.558 43.565 45.100 -1.627 0.000 0.968 105 G HN 0.564 nan 8.290 nan 0.000 0.481 106 I N -0.637 119.569 120.570 -0.607 0.000 2.769 106 I HA 0.496 4.666 4.170 -0.000 0.000 0.298 106 I C -0.355 175.623 176.117 -0.231 0.000 1.128 106 I CA -1.409 59.632 61.300 -0.433 0.000 1.031 106 I CB 2.274 39.834 38.000 -0.733 0.000 1.235 106 I HN 0.401 nan 8.210 nan 0.000 0.423 107 K N 6.658 126.987 120.400 -0.118 0.000 2.312 107 K HA 0.346 4.666 4.320 -0.000 0.000 0.287 107 K C -0.442 176.164 176.600 0.010 0.000 1.062 107 K CA -0.102 56.180 56.287 -0.009 0.000 0.934 107 K CB 0.595 33.141 32.500 0.076 0.000 1.027 107 K HN 0.816 nan 8.250 nan 0.000 0.478 108 L N 2.511 123.758 121.223 0.040 0.000 2.642 108 L HA 0.077 4.417 4.340 -0.000 0.000 0.233 108 L C 0.330 177.201 176.870 0.002 0.000 1.077 108 L CA -0.316 54.604 54.840 0.135 0.000 0.879 108 L CB 0.160 42.430 42.059 0.353 0.000 1.151 108 L HN 0.732 nan 8.230 nan 0.000 0.495 109 D N -0.216 119.994 120.400 -0.316 0.000 2.368 109 D HA -0.008 4.632 4.640 -0.000 0.000 0.240 109 D C 0.094 176.108 176.300 -0.477 0.000 1.169 109 D CA 0.012 53.460 54.000 -0.919 0.000 0.906 109 D CB 0.637 40.563 40.800 -1.457 0.000 1.187 109 D HN 0.042 nan 8.370 nan 0.000 0.435 110 Q N 0.707 120.258 119.800 -0.415 0.000 2.233 110 Q HA 0.433 4.773 4.340 -0.000 0.000 0.340 110 Q C 0.197 176.082 176.000 -0.191 0.000 0.899 110 Q CA -0.379 55.308 55.803 -0.193 0.000 1.139 110 Q CB 0.980 29.666 28.738 -0.088 0.000 1.273 110 Q HN 0.823 nan 8.270 nan 0.000 0.431 111 G N -0.091 108.540 108.800 -0.282 0.000 2.757 111 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.638 111 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.638 111 G C 0.041 174.835 174.900 -0.176 0.000 1.344 111 G CA -0.803 44.170 45.100 -0.213 0.000 0.855 111 G HN 0.436 nan 8.290 nan 0.000 0.537 112 G N -0.840 107.886 108.800 -0.123 0.000 2.572 112 G HA2 0.826 4.786 3.960 -0.000 0.000 0.261 112 G HA3 0.826 4.786 3.960 -0.000 0.000 0.261 112 G C 0.213 175.085 174.900 -0.048 0.000 1.197 112 G CA 0.719 45.772 45.100 -0.079 0.000 0.870 112 G HN 2.215 nan 8.290 nan 0.000 0.548 113 A N 1.981 124.787 122.820 -0.023 0.000 2.488 113 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 113 A C -2.749 174.835 177.584 0.001 0.000 1.044 113 A CA -1.313 50.720 52.037 -0.007 0.000 0.693 113 A CB 2.078 21.082 19.000 0.005 0.000 1.272 113 A HN 0.553 nan 8.150 nan 0.000 0.402 114 P HA 0.289 nan 4.420 nan 0.000 0.269 114 P C -0.956 176.350 177.300 0.010 0.000 1.209 114 P CA -0.094 63.008 63.100 0.003 0.000 0.776 114 P CB 0.776 32.476 31.700 0.001 0.000 0.876 115 L N 2.580 123.811 121.223 0.012 0.000 2.318 115 L HA 0.477 4.817 4.340 -0.000 0.000 0.277 115 L C 0.406 177.284 176.870 0.014 0.000 1.008 115 L CA -1.041 53.809 54.840 0.016 0.000 0.846 115 L CB 0.189 42.259 42.059 0.018 0.000 1.220 115 L HN 0.449 nan 8.230 nan 0.000 0.423 116 A N 3.017 125.845 122.820 0.013 0.000 2.448 116 A HA 0.486 4.806 4.320 -0.000 0.000 0.239 116 A C 1.280 178.871 177.584 0.013 0.000 1.080 116 A CA 0.503 52.547 52.037 0.012 0.000 0.779 116 A CB -0.257 18.750 19.000 0.011 0.000 1.026 116 A HN 1.637 nan 8.150 nan 0.000 0.499 117 G N -0.143 108.664 108.800 0.012 0.000 2.160 117 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.251 117 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.251 117 G C 0.279 175.188 174.900 0.015 0.000 1.008 117 G CA 0.763 45.871 45.100 0.013 0.000 0.724 117 G HN 1.315 nan 8.290 nan 0.000 0.514 118 T N -0.547 114.015 114.554 0.015 0.000 2.906 118 T HA 0.498 4.848 4.350 -0.000 0.000 0.295 118 T C -0.031 174.679 174.700 0.016 0.000 1.061 118 T CA -0.351 61.759 62.100 0.016 0.000 1.000 118 T CB 1.169 70.046 68.868 0.016 0.000 1.103 118 T HN 0.298 nan 8.240 nan 0.000 0.486 119 N N 2.824 121.536 118.700 0.019 0.000 2.671 119 N HA 0.062 4.802 4.740 -0.000 0.000 0.274 119 N C -0.134 175.386 175.510 0.018 0.000 1.188 119 N CA 0.197 53.258 53.050 0.019 0.000 1.065 119 N CB -0.760 37.741 38.487 0.024 0.000 1.415 119 N HN 0.648 nan 8.380 nan 0.000 0.511 120 K N 0.357 120.766 120.400 0.015 0.000 3.035 120 K HA -0.256 4.064 4.320 -0.000 0.000 0.262 120 K C -0.569 176.037 176.600 0.010 0.000 1.024 120 K CA 0.889 57.183 56.287 0.011 0.000 0.748 120 K CB -1.162 31.345 32.500 0.012 0.000 1.247 120 K HN 0.688 nan 8.250 nan 0.000 0.482 121 E N -0.033 120.173 120.200 0.011 0.000 2.267 121 E HA 0.483 4.833 4.350 -0.000 0.000 0.258 121 E C 0.580 177.185 176.600 0.008 0.000 1.074 121 E CA -0.491 55.915 56.400 0.010 0.000 0.915 121 E CB 1.299 31.007 29.700 0.013 0.000 1.186 121 E HN 0.328 nan 8.360 nan 0.000 0.439 122 T N -2.144 112.415 114.554 0.008 0.000 2.804 122 T HA 0.639 4.989 4.350 -0.000 0.000 0.290 122 T C -0.298 174.414 174.700 0.021 0.000 1.099 122 T CA -0.810 61.295 62.100 0.008 0.000 1.011 122 T CB 1.649 70.513 68.868 -0.005 0.000 1.291 122 T HN 0.399 nan 8.240 nan 0.000 0.523 123 T N 0.278 114.849 114.554 0.028 0.000 2.742 123 T HA 0.709 5.059 4.350 -0.000 0.000 0.282 123 T C -1.012 173.719 174.700 0.051 0.000 1.025 123 T CA -0.810 61.326 62.100 0.060 0.000 1.020 123 T CB 1.113 70.031 68.868 0.084 0.000 1.317 123 T HN 0.609 nan 8.240 nan 0.000 0.538 124 I N 1.328 121.973 120.570 0.126 0.000 2.569 124 I HA 0.398 4.568 4.170 -0.000 0.000 0.296 124 I C 0.238 176.410 176.117 0.092 0.000 1.028 124 I CA -0.835 60.478 61.300 0.022 0.000 1.082 124 I CB 1.844 39.876 38.000 0.054 0.000 1.264 124 I HN 0.691 nan 8.210 nan 0.000 0.429 125 Q N 2.482 122.244 119.800 -0.064 0.000 2.166 125 Q HA 0.692 5.032 4.340 -0.000 0.000 0.226 125 Q C 0.566 176.553 176.000 -0.022 0.000 0.989 125 Q CA -0.441 55.379 55.803 0.027 0.000 0.966 125 Q CB 1.505 30.237 28.738 -0.010 0.000 1.173 125 Q HN 0.940 nan 8.270 nan 0.000 0.509 126 G N -0.682 108.194 108.800 0.126 0.000 2.273 126 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.162 126 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.162 126 G C 0.467 175.589 174.900 0.369 0.000 1.006 126 G CA -0.277 44.917 45.100 0.156 0.000 0.704 126 G HN 0.450 nan 8.290 nan 0.000 0.487 127 L N 0.796 122.233 121.223 0.358 0.000 2.270 127 L HA 0.206 4.546 4.340 -0.000 0.000 0.210 127 L C 0.595 177.564 176.870 0.164 0.000 1.104 127 L CA 0.163 55.164 54.840 0.269 0.000 0.804 127 L CB -0.247 41.919 42.059 0.179 0.000 0.937 127 L HN 0.072 nan 8.230 nan 0.000 0.450 128 D N 0.994 121.475 120.400 0.134 0.000 2.487 128 D HA 0.131 4.771 4.640 -0.000 0.000 0.243 128 D C 1.305 177.650 176.300 0.076 0.000 1.154 128 D CA 1.279 55.329 54.000 0.084 0.000 0.876 128 D CB 0.909 41.746 40.800 0.062 0.000 1.161 128 D HN 0.306 nan 8.370 nan 0.000 0.478 129 G N 1.972 110.806 108.800 0.057 0.000 2.228 129 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.270 129 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.270 129 G C 1.171 176.110 174.900 0.064 0.000 0.976 129 G CA 0.665 45.793 45.100 0.046 0.000 0.636 129 G HN 0.511 nan 8.290 nan 0.000 0.542 130 L N 1.496 122.784 121.223 0.108 0.000 2.034 130 L HA -0.085 4.255 4.340 -0.000 0.000 0.217 130 L C 2.785 179.723 176.870 0.114 0.000 1.077 130 L CA 3.255 58.186 54.840 0.153 0.000 0.769 130 L CB -1.162 41.018 42.059 0.202 0.000 0.890 130 L HN 0.393 nan 8.230 nan 0.000 0.435 131 S N -1.047 114.700 115.700 0.078 0.000 2.365 131 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 131 S C 1.801 176.427 174.600 0.043 0.000 1.039 131 S CA 1.705 59.939 58.200 0.057 0.000 1.033 131 S CB -0.211 63.011 63.200 0.037 0.000 0.887 131 S HN 0.640 nan 8.310 nan 0.000 0.447 132 E N 0.547 120.761 120.200 0.025 0.000 2.110 132 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 132 E C 2.407 178.984 176.600 -0.037 0.000 0.988 132 E CA 0.949 57.346 56.400 -0.005 0.000 0.804 132 E CB -0.091 29.602 29.700 -0.011 0.000 0.745 132 E HN 0.402 nan 8.360 nan 0.000 0.458 133 R N -0.198 120.282 120.500 -0.033 0.000 2.066 133 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 133 R C 2.383 178.633 176.300 -0.084 0.000 1.131 133 R CA 1.313 57.328 56.100 -0.143 0.000 0.955 133 R CB -0.618 29.681 30.300 -0.002 0.000 0.851 133 R HN 0.263 nan 8.270 nan 0.000 0.432 134 C N 0.245 119.620 119.300 0.125 0.000 2.413 134 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 134 C C 2.883 177.954 174.990 0.135 0.000 1.265 134 C CA 0.924 60.072 59.018 0.218 0.000 1.752 134 C CB -0.964 26.873 27.740 0.161 0.000 1.998 134 C HN 0.594 nan 8.230 nan 0.000 0.489 135 A N -0.556 122.298 122.820 0.057 0.000 1.968 135 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 135 A C 2.085 179.684 177.584 0.025 0.000 1.169 135 A CA 1.852 53.912 52.037 0.037 0.000 0.638 135 A CB -0.511 18.498 19.000 0.015 0.000 0.812 135 A HN 0.561 nan 8.150 nan 0.000 0.446 136 Q N -0.980 118.805 119.800 -0.025 0.000 2.049 136 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 136 Q C 1.699 177.723 176.000 0.040 0.000 0.971 136 Q CA 1.778 57.555 55.803 -0.044 0.000 0.833 136 Q CB -0.631 28.002 28.738 -0.176 0.000 0.896 136 Q HN 0.645 nan 8.270 nan 0.000 0.434 137 Y N 0.733 121.084 120.300 0.085 0.000 2.081 137 Y HA -0.220 4.330 4.550 -0.000 0.000 0.280 137 Y C 2.281 178.193 175.900 0.020 0.000 1.163 137 Y CA 1.734 59.868 58.100 0.057 0.000 1.135 137 Y CB -0.793 37.696 38.460 0.047 0.000 0.970 137 Y HN 0.126 nan 8.280 nan 0.000 0.498 138 K N 0.766 121.277 120.400 0.185 0.000 2.074 138 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 138 K C 1.928 178.574 176.600 0.076 0.000 1.048 138 K CA 1.790 58.138 56.287 0.102 0.000 0.926 138 K CB -0.234 32.314 32.500 0.080 0.000 0.713 138 K HN 0.193 nan 8.250 nan 0.000 0.444 139 K N -0.121 120.323 120.400 0.075 0.000 2.148 139 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 139 K C 0.524 177.161 176.600 0.061 0.000 1.050 139 K CA 1.314 57.633 56.287 0.054 0.000 0.942 139 K CB 0.064 32.590 32.500 0.044 0.000 0.724 139 K HN 0.175 nan 8.250 nan 0.000 0.446 140 D N -0.399 120.055 120.400 0.091 0.000 2.352 140 D HA 0.068 4.708 4.640 -0.000 0.000 0.236 140 D C 0.723 177.041 176.300 0.031 0.000 1.148 140 D CA 0.489 54.540 54.000 0.085 0.000 0.844 140 D CB 0.479 41.376 40.800 0.162 0.000 0.933 140 D HN 0.395 nan 8.370 nan 0.000 0.507 141 G N -0.281 108.533 108.800 0.024 0.000 2.176 141 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 141 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 141 G C 0.463 175.347 174.900 -0.027 0.000 0.979 141 G CA 0.203 45.301 45.100 -0.003 0.000 0.641 141 G HN 0.307 nan 8.290 nan 0.000 0.530 142 V N 0.779 120.680 119.914 -0.022 0.000 2.686 142 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 142 V C 0.756 176.838 176.094 -0.021 0.000 1.055 142 V CA 0.514 62.765 62.300 -0.082 0.000 1.050 142 V CB 1.615 33.378 31.823 -0.101 0.000 0.984 142 V HN 0.271 nan 8.190 nan 0.000 0.482 143 D N 2.223 122.611 120.400 -0.020 0.000 2.525 143 D HA 0.231 4.871 4.640 -0.000 0.000 0.231 143 D C -0.392 176.029 176.300 0.201 0.000 1.216 143 D CA 0.434 54.484 54.000 0.083 0.000 0.813 143 D CB 1.134 42.011 40.800 0.127 0.000 1.108 143 D HN 0.530 nan 8.370 nan 0.000 0.524 144 F N -0.918 119.029 119.950 -0.004 0.000 2.693 144 F HA 0.683 5.210 4.527 -0.000 0.000 0.309 144 F C -0.592 175.222 175.800 0.024 0.000 1.129 144 F CA -1.090 56.917 58.000 0.011 0.000 0.948 144 F CB 1.136 40.139 39.000 0.005 0.000 1.315 144 F HN -0.208 nan 8.300 nan 0.000 0.447 145 G N 0.930 109.869 108.800 0.232 0.000 2.816 145 G HA2 0.658 4.617 3.960 -0.000 0.000 0.288 145 G HA3 0.658 4.617 3.960 -0.000 0.000 0.288 145 G C -2.195 172.936 174.900 0.384 0.000 1.334 145 G CA -1.083 44.121 45.100 0.173 0.000 0.978 145 G HN 0.732 nan 8.290 nan 0.000 0.493 146 K N -0.204 120.381 120.400 0.309 0.000 2.550 146 K HA 0.315 4.635 4.320 -0.000 0.000 0.252 146 K C -2.420 174.206 176.600 0.042 0.000 0.943 146 K CA -0.732 55.696 56.287 0.234 0.000 0.806 146 K CB 2.414 35.021 32.500 0.178 0.000 1.289 146 K HN 0.590 nan 8.250 nan 0.000 0.435 147 W N 6.194 127.281 121.300 -0.354 0.000 2.900 147 W HA 0.435 5.095 4.660 -0.000 0.000 0.336 147 W C -1.446 174.892 176.519 -0.302 0.000 1.064 147 W CA -0.594 56.399 57.345 -0.587 0.000 1.237 147 W CB 1.319 29.883 29.460 -1.493 0.000 1.391 147 W HN 0.721 nan 8.180 nan 0.000 0.468 148 R N 4.488 124.837 120.500 -0.252 0.000 2.437 148 R HA 0.737 5.077 4.340 -0.000 0.000 0.310 148 R C -1.189 175.070 176.300 -0.068 0.000 0.955 148 R CA -0.272 55.777 56.100 -0.085 0.000 0.851 148 R CB 1.428 31.665 30.300 -0.105 0.000 1.161 148 R HN 0.421 nan 8.270 nan 0.000 0.446 149 A N 3.684 126.536 122.820 0.054 0.000 2.325 149 A HA 0.602 4.922 4.320 -0.000 0.000 0.333 149 A C -0.978 176.611 177.584 0.009 0.000 1.155 149 A CA -0.703 51.365 52.037 0.052 0.000 0.814 149 A CB 1.807 20.866 19.000 0.098 0.000 1.206 149 A HN 0.489 nan 8.150 nan 0.000 0.482 150 V N 3.029 122.941 119.914 -0.004 0.000 2.378 150 V HA 0.446 4.566 4.120 -0.000 0.000 0.288 150 V C -0.575 175.518 176.094 -0.002 0.000 1.016 150 V CA -0.106 62.187 62.300 -0.012 0.000 0.840 150 V CB 0.814 32.618 31.823 -0.032 0.000 0.994 150 V HN 0.724 nan 8.190 nan 0.000 0.431 151 L N 6.282 127.505 121.223 0.000 0.000 2.365 151 L HA 0.755 5.095 4.340 -0.000 0.000 0.273 151 L C 0.105 176.972 176.870 -0.005 0.000 1.000 151 L CA -0.561 54.278 54.840 -0.002 0.000 0.819 151 L CB 1.944 44.000 42.059 -0.004 0.000 1.284 151 L HN 0.738 nan 8.230 nan 0.000 0.418 152 R N 2.923 123.419 120.500 -0.007 0.000 2.919 152 R HA 0.768 5.108 4.340 -0.000 0.000 0.260 152 R C -1.240 175.033 176.300 -0.045 0.000 1.067 152 R CA -0.868 55.228 56.100 -0.008 0.000 1.003 152 R CB 1.738 32.048 30.300 0.018 0.000 1.192 152 R HN 0.488 nan 8.270 nan 0.000 0.488 153 I N 1.205 121.726 120.570 -0.082 0.000 2.330 153 I HA 0.632 4.802 4.170 -0.000 0.000 0.289 153 I C -0.240 175.861 176.117 -0.026 0.000 1.001 153 I CA -0.461 60.736 61.300 -0.171 0.000 1.193 153 I CB 1.448 39.107 38.000 -0.568 0.000 1.345 153 I HN 0.952 nan 8.210 nan 0.000 0.461 154 A N 4.520 127.349 122.820 0.014 0.000 2.438 154 A HA 0.310 4.630 4.320 -0.000 0.000 0.301 154 A C -1.451 176.168 177.584 0.059 0.000 1.101 154 A CA -0.721 51.350 52.037 0.057 0.000 0.621 154 A CB 0.698 19.729 19.000 0.051 0.000 1.350 154 A HN 0.550 nan 8.150 nan 0.000 0.496 155 D N 0.790 121.224 120.400 0.057 0.000 2.502 155 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 155 D C 0.657 176.984 176.300 0.044 0.000 1.188 155 D CA 1.684 55.714 54.000 0.051 0.000 0.890 155 D CB -0.059 40.766 40.800 0.042 0.000 1.140 155 D HN 0.551 nan 8.370 nan 0.000 0.505 156 Q N 0.388 120.217 119.800 0.048 0.000 2.406 156 Q HA -0.241 4.099 4.340 -0.000 0.000 0.236 156 Q C -0.543 175.481 176.000 0.041 0.000 0.799 156 Q CA 0.914 56.743 55.803 0.044 0.000 1.286 156 Q CB -1.905 26.854 28.738 0.035 0.000 1.615 156 Q HN 0.521 nan 8.270 nan 0.000 0.621 157 C N 0.289 119.613 119.300 0.040 0.000 2.529 157 C HA 0.630 5.090 4.460 -0.000 0.000 0.329 157 C C -2.131 172.874 174.990 0.025 0.000 1.194 157 C CA -1.542 57.493 59.018 0.029 0.000 1.779 157 C CB 1.277 29.029 27.740 0.020 0.000 2.322 157 C HN 0.126 nan 8.230 nan 0.000 0.500 158 P HA 0.183 nan 4.420 nan 0.000 0.282 158 P C -0.073 177.245 177.300 0.030 0.000 1.274 158 P CA 0.486 63.595 63.100 0.015 0.000 0.770 158 P CB 0.894 32.595 31.700 0.002 0.000 0.867 159 S N 2.444 118.161 115.700 0.028 0.000 2.596 159 S HA 0.081 4.551 4.470 -0.000 0.000 0.260 159 S C 1.367 175.983 174.600 0.026 0.000 1.336 159 S CA -0.082 58.136 58.200 0.030 0.000 0.993 159 S CB -0.222 62.993 63.200 0.026 0.000 0.923 159 S HN 0.416 nan 8.310 nan 0.000 0.567 160 S N 0.496 116.212 115.700 0.027 0.000 2.428 160 S HA -0.057 4.413 4.470 -0.000 0.000 0.230 160 S C 1.642 176.253 174.600 0.018 0.000 1.014 160 S CA 0.651 58.864 58.200 0.022 0.000 0.957 160 S CB -0.712 62.502 63.200 0.023 0.000 0.784 160 S HN 0.638 nan 8.310 nan 0.000 0.499 161 L N 2.307 123.542 121.223 0.019 0.000 2.093 161 L HA 0.139 4.479 4.340 -0.000 0.000 0.208 161 L C 2.365 179.246 176.870 0.018 0.000 1.085 161 L CA 1.618 56.468 54.840 0.018 0.000 0.755 161 L CB -1.150 40.920 42.059 0.019 0.000 0.904 161 L HN 0.237 nan 8.230 nan 0.000 0.435 162 A N 0.014 122.846 122.820 0.019 0.000 1.877 162 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 162 A C 2.265 179.857 177.584 0.015 0.000 1.186 162 A CA 2.025 54.074 52.037 0.018 0.000 0.620 162 A CB -0.839 18.171 19.000 0.017 0.000 0.822 162 A HN 0.498 nan 8.150 nan 0.000 0.443 163 I N -0.171 120.405 120.570 0.010 0.000 2.127 163 I HA -0.356 3.814 4.170 -0.000 0.000 0.241 163 I C 2.914 179.030 176.117 -0.001 0.000 1.075 163 I CA 2.104 63.405 61.300 0.002 0.000 1.334 163 I CB -0.610 37.390 38.000 -0.001 0.000 1.040 163 I HN 0.623 nan 8.210 nan 0.000 0.405 164 Q N 1.355 121.157 119.800 0.004 0.000 2.030 164 Q HA -0.309 4.031 4.340 -0.000 0.000 0.204 164 Q C 2.067 178.071 176.000 0.007 0.000 0.986 164 Q CA 2.387 58.193 55.803 0.005 0.000 0.843 164 Q CB -0.205 28.540 28.738 0.011 0.000 0.904 164 Q HN 0.443 nan 8.270 nan 0.000 0.420 165 E N 0.983 121.192 120.200 0.015 0.000 2.051 165 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 165 E C 1.640 178.253 176.600 0.021 0.000 0.991 165 E CA 1.995 58.408 56.400 0.022 0.000 0.799 165 E CB -0.346 29.371 29.700 0.029 0.000 0.748 165 E HN 0.470 nan 8.360 nan 0.000 0.449 166 N N -0.144 118.569 118.700 0.023 0.000 2.309 166 N HA -0.092 4.648 4.740 -0.000 0.000 0.182 166 N C 1.554 177.052 175.510 -0.019 0.000 1.018 166 N CA 1.072 54.142 53.050 0.033 0.000 0.876 166 N CB -0.073 38.441 38.487 0.045 0.000 0.972 166 N HN 0.308 nan 8.380 nan 0.000 0.434 167 A N 1.610 124.404 122.820 -0.042 0.000 1.930 167 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 167 A C 1.985 179.486 177.584 -0.139 0.000 1.176 167 A CA 0.825 52.804 52.037 -0.096 0.000 0.632 167 A CB -0.210 18.743 19.000 -0.079 0.000 0.819 167 A HN 0.227 nan 8.150 nan 0.000 0.445 168 N N 0.631 119.284 118.700 -0.080 0.000 2.244 168 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 168 N C 1.905 177.293 175.510 -0.203 0.000 1.016 168 N CA 1.331 54.319 53.050 -0.103 0.000 0.866 168 N CB -0.347 38.174 38.487 0.056 0.000 0.980 168 N HN 0.474 nan 8.380 nan 0.000 0.430 169 A N 1.596 124.329 122.820 -0.144 0.000 1.930 169 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 169 A C 2.389 179.656 177.584 -0.529 0.000 1.175 169 A CA 0.722 52.625 52.037 -0.225 0.000 0.627 169 A CB -0.705 18.293 19.000 -0.003 0.000 0.815 169 A HN 0.171 nan 8.150 nan 0.000 0.443 170 L N -0.778 120.173 121.223 -0.452 0.000 2.043 170 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 170 L C 3.053 179.712 176.870 -0.352 0.000 1.075 170 L CA 1.263 55.830 54.840 -0.456 0.000 0.752 170 L CB -0.428 41.482 42.059 -0.248 0.000 0.891 170 L HN 0.469 nan 8.230 nan 0.000 0.432 171 A N -0.824 121.730 122.820 -0.444 0.000 1.968 171 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 171 A C 2.351 179.593 177.584 -0.571 0.000 1.169 171 A CA 0.944 52.627 52.037 -0.589 0.000 0.638 171 A CB -0.270 18.131 19.000 -0.999 0.000 0.812 171 A HN 0.226 nan 8.150 nan 0.000 0.446 172 R N -1.461 118.749 120.500 -0.484 0.000 2.073 172 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 172 R C 2.098 178.262 176.300 -0.227 0.000 1.120 172 R CA 1.622 57.580 56.100 -0.237 0.000 0.967 172 R CB -1.070 29.150 30.300 -0.134 0.000 0.862 172 R HN 0.769 nan 8.270 nan 0.000 0.436 173 Y N 1.275 121.281 120.300 -0.489 0.000 2.114 173 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 173 Y C 2.198 177.957 175.900 -0.235 0.000 1.143 173 Y CA 1.601 59.432 58.100 -0.448 0.000 1.135 173 Y CB -0.567 37.327 38.460 -0.943 0.000 0.980 173 Y HN 0.036 nan 8.280 nan 0.000 0.499 174 A N -0.239 122.181 122.820 -0.667 0.000 1.908 174 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 174 A C 2.521 179.904 177.584 -0.334 0.000 1.181 174 A CA 2.160 53.843 52.037 -0.591 0.000 0.627 174 A CB -1.555 17.256 19.000 -0.315 0.000 0.818 174 A HN 0.588 nan 8.150 nan 0.000 0.445 175 S N -0.391 115.178 115.700 -0.218 0.000 2.351 175 S HA -0.155 4.315 4.470 -0.000 0.000 0.220 175 S C 1.916 176.474 174.600 -0.070 0.000 1.035 175 S CA 1.593 59.740 58.200 -0.087 0.000 1.031 175 S CB -0.542 62.640 63.200 -0.030 0.000 0.928 175 S HN 0.493 nan 8.310 nan 0.000 0.433 176 I N 0.962 121.481 120.570 -0.085 0.000 2.127 176 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 176 I C 2.624 178.707 176.117 -0.057 0.000 1.075 176 I CA 1.119 62.391 61.300 -0.046 0.000 1.334 176 I CB -0.790 37.198 38.000 -0.020 0.000 1.040 176 I HN 0.411 nan 8.210 nan 0.000 0.405 177 C N 0.690 119.901 119.300 -0.149 0.000 2.391 177 C HA -0.220 4.240 4.460 -0.000 0.000 0.276 177 C C 2.894 177.853 174.990 -0.052 0.000 1.217 177 C CA 1.192 60.144 59.018 -0.110 0.000 1.766 177 C CB -1.256 26.335 27.740 -0.247 0.000 2.046 177 C HN 0.549 nan 8.230 nan 0.000 0.475 178 Q N -0.439 119.326 119.800 -0.059 0.000 2.224 178 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 178 Q C 2.085 178.081 176.000 -0.005 0.000 0.970 178 Q CA 0.847 56.643 55.803 -0.011 0.000 0.865 178 Q CB -0.294 28.454 28.738 0.016 0.000 0.922 178 Q HN 0.677 nan 8.270 nan 0.000 0.445 179 Q N 0.333 120.129 119.800 -0.006 0.000 2.488 179 Q HA -0.002 4.338 4.340 -0.000 0.000 0.211 179 Q C 0.667 176.672 176.000 0.008 0.000 0.967 179 Q CA 0.670 56.474 55.803 0.001 0.000 0.926 179 Q CB 0.167 28.910 28.738 0.008 0.000 0.992 179 Q HN 0.417 nan 8.270 nan 0.000 0.506 180 N N -0.853 117.856 118.700 0.015 0.000 2.235 180 N HA 0.111 4.851 4.740 -0.000 0.000 0.231 180 N C 0.468 175.998 175.510 0.034 0.000 1.177 180 N CA 0.632 53.698 53.050 0.028 0.000 0.874 180 N CB 1.532 40.047 38.487 0.046 0.000 1.097 180 N HN 0.273 nan 8.380 nan 0.000 0.518 181 G N 1.010 109.825 108.800 0.026 0.000 2.143 181 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.249 181 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.249 181 G C -0.089 174.844 174.900 0.056 0.000 0.981 181 G CA -0.025 45.096 45.100 0.035 0.000 0.665 181 G HN 0.238 nan 8.290 nan 0.000 0.528 182 L N 0.443 121.702 121.223 0.060 0.000 2.322 182 L HA 0.610 4.950 4.340 -0.000 0.000 0.279 182 L C 0.583 177.505 176.870 0.088 0.000 1.036 182 L CA -1.143 53.750 54.840 0.089 0.000 0.807 182 L CB 1.884 43.997 42.059 0.089 0.000 1.226 182 L HN -0.095 nan 8.230 nan 0.000 0.433 183 V N 4.552 124.552 119.914 0.144 0.000 2.406 183 V HA 0.246 4.366 4.120 -0.000 0.000 0.272 183 V C -1.934 174.242 176.094 0.137 0.000 1.043 183 V CA -1.397 60.970 62.300 0.112 0.000 0.915 183 V CB 1.319 33.196 31.823 0.090 0.000 0.988 183 V HN 0.593 nan 8.190 nan 0.000 0.466 184 P HA 0.360 nan 4.420 nan 0.000 0.282 184 P C -0.660 176.738 177.300 0.163 0.000 1.249 184 P CA -0.300 62.836 63.100 0.061 0.000 0.806 184 P CB 1.196 32.716 31.700 -0.299 0.000 0.984 185 I N 2.706 123.451 120.570 0.292 0.000 2.307 185 I HA 0.171 4.341 4.170 -0.000 0.000 0.289 185 I C 0.038 176.302 176.117 0.245 0.000 1.021 185 I CA -0.940 60.477 61.300 0.196 0.000 1.224 185 I CB 1.436 39.550 38.000 0.190 0.000 1.376 185 I HN -0.031 nan 8.210 nan 0.000 0.470 186 V N 6.914 126.912 119.914 0.141 0.000 2.408 186 V HA 0.123 4.243 4.120 -0.000 0.000 0.267 186 V C 0.393 176.513 176.094 0.044 0.000 1.047 186 V CA -0.217 62.150 62.300 0.112 0.000 0.937 186 V CB 1.167 32.978 31.823 -0.020 0.000 0.999 186 V HN 0.707 nan 8.190 nan 0.000 0.472 187 E N 8.435 128.677 120.200 0.070 0.000 2.376 187 E HA 0.365 4.715 4.350 -0.000 0.000 0.236 187 E C -2.643 173.980 176.600 0.038 0.000 0.962 187 E CA -1.941 54.485 56.400 0.042 0.000 0.768 187 E CB 1.602 31.330 29.700 0.047 0.000 1.236 187 E HN 0.431 nan 8.360 nan 0.000 0.431 188 P HA 0.165 nan 4.420 nan 0.000 0.245 188 P C -0.928 176.378 177.300 0.010 0.000 1.740 188 P CA -0.231 62.870 63.100 0.003 0.000 1.125 188 P CB 0.347 32.026 31.700 -0.035 0.000 1.747 189 E N 2.529 122.739 120.200 0.017 0.000 2.301 189 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 189 E C -1.032 175.578 176.600 0.017 0.000 1.030 189 E CA -0.862 55.552 56.400 0.023 0.000 0.852 189 E CB 0.996 30.709 29.700 0.021 0.000 1.060 189 E HN 0.018 nan 8.360 nan 0.000 0.401 190 V N 5.907 125.836 119.914 0.025 0.000 2.304 190 V HA 0.140 4.260 4.120 -0.000 0.000 0.269 190 V C 0.207 176.328 176.094 0.045 0.000 1.036 190 V CA -0.866 61.445 62.300 0.019 0.000 0.840 190 V CB 0.460 32.287 31.823 0.005 0.000 1.036 190 V HN 0.735 nan 8.190 nan 0.000 0.466 191 I N 9.126 129.721 120.570 0.042 0.000 2.919 191 I HA 0.056 4.226 4.170 -0.000 0.000 0.303 191 I C -0.714 175.486 176.117 0.138 0.000 1.221 191 I CA -1.486 59.854 61.300 0.066 0.000 1.444 191 I CB 0.703 38.728 38.000 0.041 0.000 1.331 191 I HN 0.462 nan 8.210 nan 0.000 0.572 192 P HA 0.059 nan 4.420 nan 0.000 0.261 192 P C -0.259 177.196 177.300 0.259 0.000 1.268 192 P CA -0.140 63.099 63.100 0.231 0.000 0.833 192 P CB 0.206 32.013 31.700 0.178 0.000 1.231 193 D N 1.141 121.727 120.400 0.310 0.000 2.525 193 D HA 0.360 5.000 4.640 -0.000 0.000 0.235 193 D C 1.384 177.827 176.300 0.238 0.000 1.137 193 D CA 1.765 55.958 54.000 0.321 0.000 0.868 193 D CB -0.059 40.897 40.800 0.260 0.000 1.180 193 D HN 0.261 nan 8.370 nan 0.000 0.465 194 G N 1.927 110.818 108.800 0.152 0.000 2.423 194 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.684 194 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.684 194 G C 0.239 175.110 174.900 -0.048 0.000 1.309 194 G CA -0.525 44.639 45.100 0.106 0.000 0.950 194 G HN 0.356 nan 8.290 nan 0.000 0.587 195 D N 0.111 120.520 120.400 0.015 0.000 2.219 195 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 195 D C 1.594 177.882 176.300 -0.021 0.000 0.970 195 D CA 1.274 55.265 54.000 -0.015 0.000 0.851 195 D CB -0.341 40.499 40.800 0.068 0.000 0.943 195 D HN 0.683 nan 8.370 nan 0.000 0.488 196 H N 0.558 119.678 119.070 0.084 0.000 3.107 196 H HA -0.001 4.555 4.556 -0.000 0.000 0.342 196 H C 0.135 175.534 175.328 0.119 0.000 1.076 196 H CA 0.237 56.362 56.048 0.129 0.000 1.356 196 H CB 0.404 30.217 29.762 0.085 0.000 1.281 196 H HN 0.057 nan 8.280 nan 0.000 0.604 197 D N 1.911 122.494 120.400 0.305 0.000 2.506 197 D HA 0.005 4.645 4.640 -0.000 0.000 0.272 197 D C 1.406 177.826 176.300 0.201 0.000 1.214 197 D CA -0.853 53.287 54.000 0.234 0.000 1.067 197 D CB 0.674 41.621 40.800 0.245 0.000 1.117 197 D HN 0.476 nan 8.370 nan 0.000 0.578 198 L N -0.261 120.969 121.223 0.013 0.000 2.083 198 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 198 L C 2.132 179.021 176.870 0.032 0.000 1.083 198 L CA 2.354 57.095 54.840 -0.165 0.000 0.752 198 L CB -0.940 40.741 42.059 -0.630 0.000 0.899 198 L HN 0.685 nan 8.230 nan 0.000 0.433 199 E N -2.427 117.834 120.200 0.102 0.000 2.285 199 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 199 E C 2.047 178.769 176.600 0.204 0.000 0.997 199 E CA 1.231 57.706 56.400 0.126 0.000 0.845 199 E CB -0.554 29.205 29.700 0.100 0.000 0.782 199 E HN 0.564 nan 8.360 nan 0.000 0.491 200 H N 0.014 119.142 119.070 0.096 0.000 2.470 200 H HA 0.063 4.619 4.556 -0.000 0.000 0.289 200 H C 1.747 177.120 175.328 0.075 0.000 1.033 200 H CA 0.920 57.017 56.048 0.082 0.000 1.331 200 H CB -0.508 29.298 29.762 0.074 0.000 1.414 200 H HN 0.448 nan 8.280 nan 0.000 0.545 201 C N 0.308 119.708 119.300 0.166 0.000 2.450 201 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 201 C C 2.704 177.745 174.990 0.085 0.000 1.335 201 C CA 1.208 60.252 59.018 0.044 0.000 1.749 201 C CB -0.975 26.841 27.740 0.127 0.000 1.963 201 C HN 0.712 nan 8.230 nan 0.000 0.501 202 Q N -1.197 118.680 119.800 0.128 0.000 2.084 202 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 202 Q C 2.079 178.166 176.000 0.145 0.000 0.978 202 Q CA 2.081 57.956 55.803 0.120 0.000 0.844 202 Q CB -0.537 28.268 28.738 0.112 0.000 0.898 202 Q HN 0.854 nan 8.270 nan 0.000 0.426 203 Y N 0.236 120.587 120.300 0.084 0.000 2.114 203 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 203 Y C 2.013 177.955 175.900 0.069 0.000 1.143 203 Y CA 1.755 59.906 58.100 0.085 0.000 1.135 203 Y CB -0.289 38.242 38.460 0.117 0.000 0.980 203 Y HN -0.044 nan 8.280 nan 0.000 0.499 204 V N -0.425 119.600 119.914 0.185 0.000 2.427 204 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 204 V C 2.235 178.302 176.094 -0.045 0.000 1.051 204 V CA 2.331 64.643 62.300 0.021 0.000 1.048 204 V CB -1.092 30.735 31.823 0.007 0.000 0.666 204 V HN 0.492 nan 8.190 nan 0.000 0.456 205 T N -0.055 114.495 114.554 -0.007 0.000 2.746 205 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 205 T C 1.774 176.466 174.700 -0.014 0.000 1.039 205 T CA 1.773 63.874 62.100 0.002 0.000 1.142 205 T CB -0.263 68.626 68.868 0.036 0.000 0.866 205 T HN 0.627 nan 8.240 nan 0.000 0.444 206 E N 0.724 120.903 120.200 -0.035 0.000 2.153 206 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 206 E C 2.278 178.822 176.600 -0.093 0.000 0.988 206 E CA 0.710 57.080 56.400 -0.051 0.000 0.811 206 E CB -0.054 29.610 29.700 -0.060 0.000 0.746 206 E HN 0.353 nan 8.360 nan 0.000 0.466 207 K N 0.843 121.137 120.400 -0.177 0.000 2.057 207 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 207 K C 2.110 178.668 176.600 -0.070 0.000 1.050 207 K CA 0.991 57.182 56.287 -0.160 0.000 0.935 207 K CB 0.043 32.400 32.500 -0.238 0.000 0.715 207 K HN 0.004 nan 8.250 nan 0.000 0.439 208 V N 1.840 121.723 119.914 -0.052 0.000 2.307 208 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 208 V C 2.277 178.358 176.094 -0.020 0.000 1.045 208 V CA 1.507 63.788 62.300 -0.032 0.000 1.024 208 V CB -0.311 31.497 31.823 -0.025 0.000 0.651 208 V HN 0.306 nan 8.190 nan 0.000 0.449 209 L N -0.010 121.217 121.223 0.007 0.000 2.201 209 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 209 L C 2.658 179.597 176.870 0.115 0.000 1.105 209 L CA 1.161 56.043 54.840 0.071 0.000 0.775 209 L CB -0.787 41.349 42.059 0.129 0.000 0.913 209 L HN 0.351 nan 8.230 nan 0.000 0.440 210 A N 0.390 123.241 122.820 0.051 0.000 1.898 210 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 210 A C 2.581 180.197 177.584 0.053 0.000 1.181 210 A CA 1.589 53.663 52.037 0.061 0.000 0.620 210 A CB -0.559 18.450 19.000 0.015 0.000 0.819 210 A HN 0.367 nan 8.150 nan 0.000 0.442 211 A N -0.661 122.165 122.820 0.011 0.000 1.902 211 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 211 A C 2.227 179.787 177.584 -0.039 0.000 1.181 211 A CA 1.793 53.825 52.037 -0.009 0.000 0.623 211 A CB -0.859 18.129 19.000 -0.021 0.000 0.818 211 A HN 0.368 nan 8.150 nan 0.000 0.443 212 V N -1.636 118.221 119.914 -0.096 0.000 2.453 212 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 212 V C 2.320 178.248 176.094 -0.276 0.000 1.048 212 V CA 1.692 63.851 62.300 -0.234 0.000 1.049 212 V CB -0.899 30.711 31.823 -0.355 0.000 0.672 212 V HN 0.659 nan 8.190 nan 0.000 0.457 213 Y N 0.295 120.580 120.300 -0.025 0.000 2.373 213 Y HA -0.132 4.418 4.550 -0.000 0.000 0.293 213 Y C 2.402 178.296 175.900 -0.009 0.000 1.129 213 Y CA 1.541 59.630 58.100 -0.018 0.000 1.226 213 Y CB -0.275 38.178 38.460 -0.012 0.000 1.000 213 Y HN 0.161 nan 8.280 nan 0.000 0.549 214 K N 0.704 121.169 120.400 0.108 0.000 2.062 214 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 214 K C 2.146 178.776 176.600 0.050 0.000 1.051 214 K CA 1.363 57.694 56.287 0.072 0.000 0.941 214 K CB -0.620 31.909 32.500 0.048 0.000 0.719 214 K HN 0.138 nan 8.250 nan 0.000 0.440 215 A N 0.508 123.340 122.820 0.020 0.000 1.898 215 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 215 A C 2.005 179.622 177.584 0.055 0.000 1.181 215 A CA 1.397 53.463 52.037 0.048 0.000 0.620 215 A CB -0.708 18.284 19.000 -0.014 0.000 0.819 215 A HN 0.285 nan 8.150 nan 0.000 0.442 216 L N 0.284 121.475 121.223 -0.053 0.000 2.189 216 L HA -0.203 4.137 4.340 -0.000 0.000 0.214 216 L C 2.064 178.957 176.870 0.039 0.000 1.097 216 L CA 2.165 56.972 54.840 -0.055 0.000 0.764 216 L CB -1.102 40.914 42.059 -0.072 0.000 0.900 216 L HN 0.646 nan 8.230 nan 0.000 0.436 217 N N -1.185 117.554 118.700 0.065 0.000 2.173 217 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 217 N C 1.455 176.966 175.510 0.001 0.000 1.025 217 N CA 0.902 53.991 53.050 0.066 0.000 0.852 217 N CB 0.100 38.633 38.487 0.076 0.000 0.998 217 N HN 0.187 nan 8.380 nan 0.000 0.427 218 D N -0.333 120.063 120.400 -0.005 0.000 2.182 218 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 218 D C 0.493 176.589 176.300 -0.340 0.000 0.986 218 D CA 1.163 55.089 54.000 -0.123 0.000 0.847 218 D CB -0.281 40.491 40.800 -0.045 0.000 0.942 218 D HN 0.581 nan 8.370 nan 0.000 0.467 219 H N -0.825 118.068 119.070 -0.295 0.000 2.568 219 H HA 0.125 4.681 4.556 -0.000 0.000 0.302 219 H C -0.219 174.999 175.328 -0.183 0.000 1.065 219 H CA -0.206 55.661 56.048 -0.302 0.000 1.140 219 H CB -0.223 29.456 29.762 -0.137 0.000 1.474 219 H HN 0.352 nan 8.280 nan 0.000 0.545 220 H N -1.373 117.794 119.070 0.161 0.000 2.741 220 H HA -0.139 4.417 4.556 -0.000 0.000 0.305 220 H C -0.064 175.335 175.328 0.119 0.000 1.169 220 H CA 0.036 56.163 56.048 0.132 0.000 1.144 220 H CB -2.225 27.613 29.762 0.126 0.000 1.397 220 H HN 0.101 nan 8.280 nan 0.000 0.409 221 V N 0.426 120.432 119.914 0.153 0.000 2.811 221 V HA -0.041 4.079 4.120 -0.000 0.000 0.302 221 V C 0.626 176.822 176.094 0.169 0.000 1.063 221 V CA -0.008 62.366 62.300 0.124 0.000 1.088 221 V CB 0.452 32.296 31.823 0.035 0.000 0.982 221 V HN 0.404 nan 8.190 nan 0.000 0.485 222 Y N 4.521 124.846 120.300 0.042 0.000 2.676 222 Y HA 0.361 4.911 4.550 -0.000 0.000 0.338 222 Y C 0.952 176.876 175.900 0.040 0.000 1.057 222 Y CA -0.392 57.733 58.100 0.042 0.000 1.314 222 Y CB 0.144 38.622 38.460 0.030 0.000 1.164 222 Y HN 0.607 nan 8.280 nan 0.000 0.509 223 L N 2.817 123.930 121.223 -0.182 0.000 2.089 223 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 223 L C 1.795 178.484 176.870 -0.301 0.000 1.079 223 L CA 1.468 56.209 54.840 -0.165 0.000 0.758 223 L CB -0.264 41.743 42.059 -0.087 0.000 0.891 223 L HN 0.609 nan 8.230 nan 0.000 0.433 224 E N 0.271 120.057 120.200 -0.689 0.000 2.515 224 E HA -0.067 4.283 4.350 -0.000 0.000 0.201 224 E C 1.308 177.757 176.600 -0.251 0.000 1.071 224 E CA 0.837 56.944 56.400 -0.489 0.000 0.880 224 E CB -0.425 29.001 29.700 -0.457 0.000 0.828 224 E HN 0.422 nan 8.360 nan 0.000 0.540 225 G N 0.084 108.780 108.800 -0.174 0.000 4.828 225 G HA2 0.260 4.220 3.960 -0.000 0.000 0.294 225 G HA3 0.260 4.220 3.960 -0.000 0.000 0.294 225 G C -0.550 174.382 174.900 0.053 0.000 1.288 225 G CA -0.220 44.937 45.100 0.095 0.000 0.987 225 G HN 0.065 nan 8.290 nan 0.000 0.587 226 T N 0.024 114.570 114.554 -0.012 0.000 2.864 226 T HA 0.747 5.097 4.350 -0.000 0.000 0.299 226 T C -1.197 173.487 174.700 -0.026 0.000 1.166 226 T CA -0.329 61.768 62.100 -0.004 0.000 1.007 226 T CB 1.713 70.585 68.868 0.006 0.000 1.219 226 T HN 0.078 nan 8.240 nan 0.000 0.506 227 L N 1.803 123.009 121.223 -0.028 0.000 2.376 227 L HA 0.726 5.066 4.340 -0.000 0.000 0.258 227 L C -1.461 175.378 176.870 -0.050 0.000 1.013 227 L CA -1.122 53.675 54.840 -0.073 0.000 0.822 227 L CB 2.226 44.202 42.059 -0.138 0.000 1.388 227 L HN 0.424 nan 8.230 nan 0.000 0.413 228 L N 2.028 123.194 121.223 -0.096 0.000 2.346 228 L HA 0.487 4.827 4.340 -0.000 0.000 0.276 228 L C -0.542 176.222 176.870 -0.177 0.000 1.006 228 L CA -0.095 54.686 54.840 -0.099 0.000 0.817 228 L CB 1.428 43.432 42.059 -0.091 0.000 1.272 228 L HN 0.551 nan 8.230 nan 0.000 0.421 229 K N 6.718 127.048 120.400 -0.116 0.000 2.606 229 K HA 0.516 4.836 4.320 -0.000 0.000 0.196 229 K C -2.747 173.811 176.600 -0.069 0.000 1.048 229 K CA -1.555 54.668 56.287 -0.106 0.000 1.017 229 K CB 0.855 33.342 32.500 -0.022 0.000 1.413 229 K HN 0.386 nan 8.250 nan 0.000 0.568 230 P HA 0.151 nan 4.420 nan 0.000 0.283 230 P C -1.194 176.183 177.300 0.128 0.000 1.278 230 P CA -0.636 62.454 63.100 -0.017 0.000 0.834 230 P CB 0.690 32.357 31.700 -0.055 0.000 1.150 231 N N -0.037 118.739 118.700 0.127 0.000 2.482 231 N HA 0.241 4.981 4.740 -0.000 0.000 0.260 231 N C 0.281 175.954 175.510 0.272 0.000 1.236 231 N CA -0.481 52.676 53.050 0.177 0.000 0.938 231 N CB 0.145 38.699 38.487 0.111 0.000 1.128 231 N HN 0.303 nan 8.380 nan 0.000 0.448 232 M N 0.596 120.345 119.600 0.249 0.000 2.202 232 M HA 0.135 4.615 4.480 -0.000 0.000 0.316 232 M C -0.507 175.836 176.300 0.071 0.000 1.138 232 M CA -0.677 54.688 55.300 0.108 0.000 1.151 232 M CB 0.972 33.500 32.600 -0.120 0.000 1.422 232 M HN 0.346 nan 8.290 nan 0.000 0.471 233 V N 2.074 122.008 119.914 0.033 0.000 2.320 233 V HA 0.289 4.409 4.120 -0.000 0.000 0.265 233 V C 0.197 176.271 176.094 -0.032 0.000 1.048 233 V CA -0.184 62.131 62.300 0.025 0.000 0.865 233 V CB 0.062 31.907 31.823 0.036 0.000 1.043 233 V HN 0.983 nan 8.190 nan 0.000 0.474 234 T N 2.280 116.819 114.554 -0.024 0.000 2.887 234 T HA 0.859 5.209 4.350 -0.000 0.000 0.292 234 T C 0.061 174.706 174.700 -0.091 0.000 1.087 234 T CA -0.294 61.748 62.100 -0.096 0.000 1.009 234 T CB 1.962 70.804 68.868 -0.044 0.000 1.203 234 T HN 0.720 nan 8.240 nan 0.000 0.518 235 A N 0.321 123.022 122.820 -0.199 0.000 2.366 235 A HA 0.668 4.988 4.320 -0.000 0.000 0.250 235 A C 0.986 178.474 177.584 -0.159 0.000 1.099 235 A CA -0.036 51.934 52.037 -0.113 0.000 0.794 235 A CB -0.813 18.235 19.000 0.080 0.000 1.056 235 A HN 1.363 nan 8.150 nan 0.000 0.499 236 G N -2.101 106.404 108.800 -0.493 0.000 2.537 236 G HA2 0.352 4.312 3.960 -0.000 0.000 0.273 236 G HA3 0.352 4.312 3.960 -0.000 0.000 0.273 236 G C 0.591 175.345 174.900 -0.244 0.000 1.189 236 G CA 0.184 44.896 45.100 -0.647 0.000 0.881 236 G HN 0.929 nan 8.290 nan 0.000 0.535 237 H N 0.850 119.732 119.070 -0.314 0.000 2.426 237 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 237 H C 2.374 177.503 175.328 -0.333 0.000 1.107 237 H CA 2.064 57.863 56.048 -0.416 0.000 1.298 237 H CB 0.139 29.465 29.762 -0.726 0.000 1.377 237 H HN 0.427 nan 8.280 nan 0.000 0.519 238 A N -0.899 121.776 122.820 -0.242 0.000 2.415 238 A HA 0.208 4.528 4.320 -0.000 0.000 0.248 238 A C 0.459 177.945 177.584 -0.164 0.000 1.299 238 A CA 0.043 51.937 52.037 -0.238 0.000 0.899 238 A CB -0.884 18.039 19.000 -0.128 0.000 0.997 238 A HN 0.436 nan 8.150 nan 0.000 0.506 239 C N 1.194 120.401 119.300 -0.155 0.000 2.435 239 C HA 0.430 4.890 4.460 -0.000 0.000 0.375 239 C C 2.101 177.049 174.990 -0.070 0.000 1.281 239 C CA 0.514 59.486 59.018 -0.077 0.000 1.963 239 C CB -0.110 27.617 27.740 -0.021 0.000 2.490 239 C HN 0.663 nan 8.230 nan 0.000 0.557 240 T N 2.624 117.144 114.554 -0.056 0.000 3.014 240 T HA 0.033 4.383 4.350 -0.000 0.000 0.263 240 T C 0.643 175.288 174.700 -0.090 0.000 1.078 240 T CA 0.510 62.567 62.100 -0.072 0.000 1.135 240 T CB -0.141 68.690 68.868 -0.061 0.000 0.895 240 T HN 0.803 nan 8.240 nan 0.000 0.480 241 K N 1.556 121.895 120.400 -0.102 0.000 2.336 241 K HA 0.322 4.642 4.320 -0.000 0.000 0.262 241 K C -0.104 176.290 176.600 -0.343 0.000 0.992 241 K CA -0.302 55.834 56.287 -0.252 0.000 0.927 241 K CB 0.375 32.654 32.500 -0.368 0.000 0.956 241 K HN -0.019 nan 8.250 nan 0.000 0.495 242 K N 1.547 121.679 120.400 -0.448 0.000 2.259 242 K HA 0.425 4.745 4.320 -0.000 0.000 0.249 242 K C -1.028 175.327 176.600 -0.408 0.000 0.942 242 K CA -0.674 55.441 56.287 -0.286 0.000 0.816 242 K CB 1.290 33.699 32.500 -0.153 0.000 1.155 242 K HN 0.473 nan 8.250 nan 0.000 0.428 243 Y N -1.184 119.111 120.300 -0.008 0.000 2.581 243 Y HA 0.298 4.848 4.550 -0.000 0.000 0.345 243 Y C 0.706 176.608 175.900 0.003 0.000 1.036 243 Y CA -0.917 57.183 58.100 0.001 0.000 1.042 243 Y CB 1.959 40.422 38.460 0.005 0.000 1.289 243 Y HN 0.594 nan 8.280 nan 0.000 0.471 244 T N -1.547 113.107 114.554 0.166 0.000 2.927 244 T HA 0.361 4.711 4.350 -0.000 0.000 0.281 244 T C -2.246 172.506 174.700 0.087 0.000 0.998 244 T CA -2.299 59.861 62.100 0.099 0.000 1.019 244 T CB 1.674 70.587 68.868 0.074 0.000 1.061 244 T HN 0.308 nan 8.240 nan 0.000 0.518 245 P HA -0.114 nan 4.420 nan 0.000 0.216 245 P C 1.070 178.388 177.300 0.031 0.000 1.154 245 P CA 1.232 64.353 63.100 0.035 0.000 0.865 245 P CB 0.072 31.796 31.700 0.040 0.000 0.789 246 E N -0.934 119.292 120.200 0.044 0.000 2.204 246 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 246 E C 2.056 178.682 176.600 0.042 0.000 0.989 246 E CA 1.090 57.514 56.400 0.039 0.000 0.824 246 E CB -0.645 29.079 29.700 0.041 0.000 0.756 246 E HN 0.452 nan 8.360 nan 0.000 0.477 247 Q N -0.222 119.616 119.800 0.064 0.000 2.089 247 Q HA 0.006 4.346 4.340 -0.000 0.000 0.195 247 Q C 2.212 178.225 176.000 0.022 0.000 0.963 247 Q CA 1.005 56.852 55.803 0.073 0.000 0.834 247 Q CB -0.029 28.803 28.738 0.157 0.000 0.906 247 Q HN 0.123 nan 8.270 nan 0.000 0.452 248 V N 1.500 121.416 119.914 0.003 0.000 2.469 248 V HA -0.300 3.820 4.120 -0.000 0.000 0.251 248 V C 2.232 178.302 176.094 -0.041 0.000 1.064 248 V CA 1.860 64.131 62.300 -0.049 0.000 1.066 248 V CB -0.880 30.912 31.823 -0.052 0.000 0.667 248 V HN 0.401 nan 8.190 nan 0.000 0.461 249 A N -0.671 122.136 122.820 -0.021 0.000 1.898 249 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 249 A C 2.121 179.711 177.584 0.009 0.000 1.181 249 A CA 2.202 54.228 52.037 -0.017 0.000 0.620 249 A CB -0.463 18.534 19.000 -0.004 0.000 0.819 249 A HN 0.474 nan 8.150 nan 0.000 0.442 250 M N 0.132 119.742 119.600 0.017 0.000 2.200 250 M HA 0.142 4.622 4.480 -0.000 0.000 0.265 250 M C 2.055 178.376 176.300 0.034 0.000 1.066 250 M CA 1.514 56.828 55.300 0.023 0.000 1.127 250 M CB -0.633 31.982 32.600 0.026 0.000 1.379 250 M HN 0.330 nan 8.290 nan 0.000 0.420 251 A N -1.140 121.696 122.820 0.027 0.000 1.898 251 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 251 A C 2.200 179.818 177.584 0.058 0.000 1.181 251 A CA 2.156 54.215 52.037 0.038 0.000 0.620 251 A CB -1.326 17.676 19.000 0.004 0.000 0.819 251 A HN 0.529 nan 8.150 nan 0.000 0.442 252 T N -0.382 114.198 114.554 0.043 0.000 2.746 252 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 252 T C 1.834 176.615 174.700 0.134 0.000 1.039 252 T CA 1.708 63.858 62.100 0.084 0.000 1.142 252 T CB -0.293 68.591 68.868 0.025 0.000 0.866 252 T HN 0.151 nan 8.240 nan 0.000 0.444 253 V N 1.280 121.267 119.914 0.121 0.000 2.719 253 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 253 V C 2.673 178.861 176.094 0.156 0.000 1.065 253 V CA 1.455 63.857 62.300 0.170 0.000 1.086 253 V CB -1.066 30.843 31.823 0.143 0.000 0.700 253 V HN 0.497 nan 8.190 nan 0.000 0.467 254 T N 1.102 115.714 114.554 0.097 0.000 2.580 254 T HA -0.281 4.069 4.350 -0.000 0.000 0.265 254 T C 2.148 177.056 174.700 0.347 0.000 1.063 254 T CA 2.188 64.394 62.100 0.177 0.000 1.170 254 T CB -0.556 68.391 68.868 0.132 0.000 0.863 254 T HN 0.577 nan 8.240 nan 0.000 0.418 255 A N 1.000 123.947 122.820 0.212 0.000 1.917 255 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 255 A C 2.348 180.036 177.584 0.173 0.000 1.182 255 A CA 1.596 53.732 52.037 0.166 0.000 0.633 255 A CB -0.947 18.121 19.000 0.114 0.000 0.819 255 A HN 0.528 nan 8.150 nan 0.000 0.448 256 L N -0.777 120.563 121.223 0.196 0.000 2.109 256 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 256 L C 2.646 179.745 176.870 0.381 0.000 1.086 256 L CA 1.293 56.223 54.840 0.151 0.000 0.760 256 L CB -0.759 41.279 42.059 -0.035 0.000 0.910 256 L HN 0.757 nan 8.230 nan 0.000 0.437 257 H N 0.564 119.832 119.070 0.331 0.000 2.529 257 H HA -0.037 4.519 4.556 -0.000 0.000 0.277 257 H C 1.765 177.188 175.328 0.158 0.000 0.999 257 H CA 0.777 57.014 56.048 0.314 0.000 1.256 257 H CB -0.093 29.802 29.762 0.221 0.000 1.402 257 H HN 0.250 nan 8.280 nan 0.000 0.566 258 R N 0.296 120.780 120.500 -0.027 0.000 2.297 258 R HA 0.053 4.393 4.340 -0.000 0.000 0.197 258 R C 1.050 177.330 176.300 -0.034 0.000 0.943 258 R CA 1.112 57.131 56.100 -0.134 0.000 1.038 258 R CB 0.511 30.779 30.300 -0.052 0.000 0.957 258 R HN 0.601 nan 8.270 nan 0.000 0.484 259 T N -5.571 109.002 114.554 0.031 0.000 3.123 259 T HA 0.173 4.523 4.350 -0.000 0.000 0.266 259 T C 0.205 174.875 174.700 -0.050 0.000 0.873 259 T CA -0.328 61.786 62.100 0.022 0.000 0.854 259 T CB 0.469 69.378 68.868 0.068 0.000 1.254 259 T HN -0.181 nan 8.240 nan 0.000 0.570 260 V N 4.410 124.313 119.914 -0.018 0.000 2.318 260 V HA 0.441 4.561 4.120 -0.000 0.000 0.271 260 V C -2.521 173.566 176.094 -0.012 0.000 1.030 260 V CA -2.166 59.980 62.300 -0.257 0.000 0.844 260 V CB 0.863 32.547 31.823 -0.232 0.000 1.015 260 V HN 0.202 nan 8.190 nan 0.000 0.460 261 P HA -0.029 nan 4.420 nan 0.000 0.264 261 P C 0.800 178.132 177.300 0.053 0.000 1.179 261 P CA 0.345 63.377 63.100 -0.113 0.000 0.763 261 P CB 0.716 32.297 31.700 -0.199 0.000 0.806 262 A N 3.801 126.584 122.820 -0.062 0.000 2.019 262 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 262 A C 2.103 179.654 177.584 -0.055 0.000 1.164 262 A CA 1.874 53.809 52.037 -0.171 0.000 0.644 262 A CB -1.430 17.425 19.000 -0.242 0.000 0.805 262 A HN 0.568 nan 8.150 nan 0.000 0.449 263 A N -0.551 122.238 122.820 -0.051 0.000 2.125 263 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 263 A C 1.042 178.606 177.584 -0.033 0.000 1.156 263 A CA 0.840 52.839 52.037 -0.063 0.000 0.671 263 A CB -0.667 18.272 19.000 -0.101 0.000 0.794 263 A HN 0.298 nan 8.150 nan 0.000 0.459 264 V N 1.959 121.901 119.914 0.047 0.000 2.479 264 V HA 0.073 4.193 4.120 -0.000 0.000 0.281 264 V C -0.990 175.166 176.094 0.102 0.000 1.031 264 V CA -0.688 61.638 62.300 0.044 0.000 1.038 264 V CB 1.201 33.036 31.823 0.020 0.000 0.981 264 V HN 0.348 nan 8.190 nan 0.000 0.478 265 P HA 0.083 nan 4.420 nan 0.000 0.220 265 P C 0.565 177.903 177.300 0.063 0.000 1.152 265 P CA 0.937 64.065 63.100 0.047 0.000 0.812 265 P CB 0.493 32.187 31.700 -0.011 0.000 0.792 266 G N -0.433 108.354 108.800 -0.021 0.000 2.706 266 G HA2 0.610 4.570 3.960 -0.000 0.000 0.297 266 G HA3 0.610 4.570 3.960 -0.000 0.000 0.297 266 G C -1.562 173.211 174.900 -0.212 0.000 1.403 266 G CA -0.479 44.575 45.100 -0.077 0.000 0.954 266 G HN -0.061 nan 8.290 nan 0.000 0.500 267 I N 1.049 121.429 120.570 -0.317 0.000 2.354 267 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 267 I C -0.503 175.300 176.117 -0.524 0.000 1.007 267 I CA -0.541 60.447 61.300 -0.520 0.000 1.167 267 I CB 1.653 39.177 38.000 -0.793 0.000 1.320 267 I HN 0.258 nan 8.210 nan 0.000 0.458 268 C N 6.719 125.760 119.300 -0.432 0.000 2.225 268 C HA 0.438 4.898 4.460 -0.000 0.000 0.323 268 C C 0.327 175.175 174.990 -0.237 0.000 1.164 268 C CA -0.787 58.045 59.018 -0.311 0.000 1.565 268 C CB -0.932 26.652 27.740 -0.259 0.000 2.124 268 C HN 0.469 nan 8.230 nan 0.000 0.461 269 F N 3.257 123.212 119.950 0.009 0.000 2.545 269 F HA 0.332 4.859 4.527 -0.000 0.000 0.348 269 F C 0.821 176.764 175.800 0.238 0.000 1.163 269 F CA -0.501 57.568 58.000 0.116 0.000 1.331 269 F CB 0.416 39.529 39.000 0.189 0.000 1.138 269 F HN 0.463 nan 8.300 nan 0.000 0.602 270 L N 0.027 121.487 121.223 0.396 0.000 2.421 270 L HA 0.549 4.889 4.340 -0.000 0.000 0.263 270 L C 0.673 177.693 176.870 0.250 0.000 1.122 270 L CA -0.155 54.862 54.840 0.296 0.000 0.804 270 L CB 1.144 43.298 42.059 0.158 0.000 1.150 270 L HN 0.635 nan 8.230 nan 0.000 0.457 271 S N -0.945 114.792 115.700 0.061 0.000 2.524 271 S HA 0.255 4.725 4.470 -0.000 0.000 0.222 271 S C 1.239 175.776 174.600 -0.106 0.000 1.040 271 S CA 0.155 58.235 58.200 -0.199 0.000 0.915 271 S CB -0.613 62.136 63.200 -0.750 0.000 0.831 271 S HN 1.297 nan 8.310 nan 0.000 0.492 272 G N 1.522 110.294 108.800 -0.046 0.000 2.500 272 G HA2 0.216 4.176 3.960 -0.000 0.000 0.309 272 G HA3 0.216 4.176 3.960 -0.000 0.000 0.309 272 G C 1.130 176.012 174.900 -0.030 0.000 0.236 272 G CA 0.249 45.325 45.100 -0.039 0.000 1.128 272 G HN 1.686 nan 8.290 nan 0.000 0.495 273 G N 1.804 110.580 108.800 -0.040 0.000 2.308 273 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.221 273 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.221 273 G C 0.772 175.699 174.900 0.045 0.000 1.032 273 G CA 0.374 45.497 45.100 0.038 0.000 0.623 273 G HN 0.876 nan 8.290 nan 0.000 0.506 274 M N 2.505 122.095 119.600 -0.017 0.000 2.250 274 M HA 0.396 4.876 4.480 -0.000 0.000 0.325 274 M C 1.591 177.862 176.300 -0.048 0.000 1.084 274 M CA 0.608 55.888 55.300 -0.034 0.000 1.161 274 M CB 0.664 33.204 32.600 -0.100 0.000 1.481 274 M HN 0.667 nan 8.290 nan 0.000 0.449 275 S N 1.099 116.783 115.700 -0.027 0.000 2.587 275 S HA 0.040 4.510 4.470 -0.000 0.000 0.260 275 S C 0.692 175.246 174.600 -0.076 0.000 1.353 275 S CA -0.463 57.719 58.200 -0.029 0.000 0.995 275 S CB 0.508 63.703 63.200 -0.008 0.000 0.912 275 S HN 0.753 nan 8.310 nan 0.000 0.568 276 E N 0.181 120.342 120.200 -0.066 0.000 2.153 276 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 276 E C 1.743 178.273 176.600 -0.117 0.000 0.988 276 E CA 1.209 57.554 56.400 -0.092 0.000 0.811 276 E CB -0.106 29.568 29.700 -0.043 0.000 0.746 276 E HN 0.750 nan 8.360 nan 0.000 0.466 277 E N 1.003 121.150 120.200 -0.089 0.000 2.076 277 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 277 E C 1.410 177.942 176.600 -0.112 0.000 0.979 277 E CA 0.998 57.330 56.400 -0.113 0.000 0.807 277 E CB 0.052 29.719 29.700 -0.055 0.000 0.761 277 E HN 0.089 nan 8.360 nan 0.000 0.454 278 D N -0.312 120.044 120.400 -0.074 0.000 2.183 278 D HA -0.033 4.607 4.640 -0.000 0.000 0.203 278 D C 1.662 177.907 176.300 -0.093 0.000 0.969 278 D CA 1.148 55.111 54.000 -0.061 0.000 0.842 278 D CB -0.219 40.561 40.800 -0.034 0.000 0.957 278 D HN 0.255 nan 8.370 nan 0.000 0.484 279 A N 0.331 123.066 122.820 -0.141 0.000 1.908 279 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 279 A C 2.341 179.917 177.584 -0.014 0.000 1.181 279 A CA 2.126 54.059 52.037 -0.174 0.000 0.627 279 A CB -0.861 17.829 19.000 -0.517 0.000 0.818 279 A HN 0.220 nan 8.150 nan 0.000 0.445 280 T N 0.284 114.772 114.554 -0.109 0.000 2.737 280 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 280 T C 1.834 176.425 174.700 -0.182 0.000 1.038 280 T CA 1.359 63.319 62.100 -0.234 0.000 1.144 280 T CB -0.355 68.173 68.868 -0.567 0.000 0.866 280 T HN 0.339 nan 8.240 nan 0.000 0.434 281 L N 1.117 122.265 121.223 -0.125 0.000 2.083 281 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 281 L C 2.544 179.417 176.870 0.004 0.000 1.083 281 L CA 0.922 55.762 54.840 0.001 0.000 0.752 281 L CB -0.522 41.547 42.059 0.018 0.000 0.899 281 L HN 0.209 nan 8.230 nan 0.000 0.433 282 N N 0.016 118.696 118.700 -0.034 0.000 2.171 282 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 282 N C 1.783 177.244 175.510 -0.082 0.000 1.021 282 N CA 1.015 54.029 53.050 -0.060 0.000 0.854 282 N CB -0.381 38.048 38.487 -0.096 0.000 0.994 282 N HN 0.169 nan 8.380 nan 0.000 0.426 283 L N 1.493 122.682 121.223 -0.057 0.000 2.079 283 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 283 L C 1.751 178.631 176.870 0.017 0.000 1.081 283 L CA 1.709 56.526 54.840 -0.037 0.000 0.752 283 L CB -0.784 41.317 42.059 0.069 0.000 0.896 283 L HN 0.109 nan 8.230 nan 0.000 0.433 284 N N -0.692 118.030 118.700 0.036 0.000 2.188 284 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 284 N C 1.729 177.280 175.510 0.070 0.000 1.018 284 N CA 1.306 54.405 53.050 0.081 0.000 0.858 284 N CB -0.139 38.441 38.487 0.156 0.000 0.989 284 N HN 0.516 nan 8.380 nan 0.000 0.426 285 A N 0.071 122.918 122.820 0.045 0.000 1.970 285 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 285 A C 2.137 179.741 177.584 0.033 0.000 1.170 285 A CA 0.497 52.557 52.037 0.039 0.000 0.645 285 A CB -0.504 18.512 19.000 0.025 0.000 0.816 285 A HN 0.342 nan 8.150 nan 0.000 0.447 286 I N 0.137 120.715 120.570 0.013 0.000 2.208 286 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 286 I C 1.772 177.944 176.117 0.091 0.000 1.097 286 I CA 1.594 62.915 61.300 0.034 0.000 1.363 286 I CB -0.361 37.623 38.000 -0.028 0.000 1.051 286 I HN 0.354 nan 8.210 nan 0.000 0.413 287 N N 0.006 118.762 118.700 0.092 0.000 2.521 287 N HA 0.048 4.788 4.740 -0.000 0.000 0.188 287 N C 1.074 176.632 175.510 0.080 0.000 1.146 287 N CA 0.407 53.521 53.050 0.106 0.000 0.893 287 N CB 0.231 38.785 38.487 0.110 0.000 0.975 287 N HN 0.298 nan 8.380 nan 0.000 0.451 288 L N -0.678 120.584 121.223 0.064 0.000 2.808 288 L HA 0.282 4.622 4.340 -0.000 0.000 0.246 288 L C 0.105 176.999 176.870 0.040 0.000 1.153 288 L CA -0.485 54.385 54.840 0.049 0.000 0.956 288 L CB 0.280 42.365 42.059 0.044 0.000 1.270 288 L HN 0.170 nan 8.230 nan 0.000 0.528 289 C N 3.209 122.536 119.300 0.046 0.000 2.648 289 C HA 0.210 4.670 4.460 -0.000 0.000 0.419 289 C C -1.482 173.519 174.990 0.017 0.000 1.352 289 C CA -1.037 57.999 59.018 0.031 0.000 1.816 289 C CB 0.189 27.952 27.740 0.037 0.000 2.598 289 C HN 0.134 nan 8.230 nan 0.000 0.598 290 P HA 0.276 nan 4.420 nan 0.000 0.225 290 P C -0.750 176.530 177.300 -0.034 0.000 1.813 290 P CA 0.097 63.193 63.100 -0.008 0.000 1.013 290 P CB -0.178 31.520 31.700 -0.003 0.000 1.961 291 L N 3.007 124.199 121.223 -0.051 0.000 2.415 291 L HA 0.629 4.969 4.340 -0.000 0.000 0.256 291 L C -2.515 174.304 176.870 -0.085 0.000 1.010 291 L CA -2.668 52.097 54.840 -0.124 0.000 0.826 291 L CB 2.049 43.974 42.059 -0.224 0.000 1.405 291 L HN -0.089 nan 8.230 nan 0.000 0.410 292 P HA 0.281 nan 4.420 nan 0.000 0.268 292 P C -1.297 175.915 177.300 -0.147 0.000 1.205 292 P CA -0.064 62.986 63.100 -0.084 0.000 0.771 292 P CB 0.314 31.998 31.700 -0.027 0.000 0.858 293 K N 3.165 123.418 120.400 -0.245 0.000 2.950 293 K HA 0.177 4.497 4.320 -0.000 0.000 0.199 293 K C -1.987 174.280 176.600 -0.555 0.000 1.144 293 K CA -1.012 55.078 56.287 -0.328 0.000 0.983 293 K CB 1.551 34.086 32.500 0.058 0.000 1.187 293 K HN 0.322 nan 8.250 nan 0.000 0.595 294 P HA -0.087 nan 4.420 nan 0.000 0.229 294 P C -0.390 176.620 177.300 -0.484 0.000 1.160 294 P CA 0.617 63.266 63.100 -0.752 0.000 0.777 294 P CB 0.235 31.449 31.700 -0.809 0.000 0.814 295 W N 0.070 121.353 121.300 -0.029 0.000 2.671 295 W HA 0.434 5.094 4.660 -0.000 0.000 0.360 295 W C 0.136 176.636 176.519 -0.032 0.000 1.128 295 W CA -1.331 55.988 57.345 -0.044 0.000 1.184 295 W CB 0.231 29.653 29.460 -0.064 0.000 1.415 295 W HN -0.418 nan 8.180 nan 0.000 0.604 296 K N 1.896 122.438 120.400 0.235 0.000 2.489 296 K HA 0.192 4.512 4.320 -0.000 0.000 0.278 296 K C -0.440 176.225 176.600 0.109 0.000 1.000 296 K CA 0.078 56.444 56.287 0.132 0.000 1.012 296 K CB 0.280 32.798 32.500 0.031 0.000 0.903 296 K HN 0.392 nan 8.250 nan 0.000 0.485 297 L N 1.899 123.195 121.223 0.122 0.000 2.316 297 L HA 0.282 4.622 4.340 -0.000 0.000 0.280 297 L C 0.349 177.306 176.870 0.146 0.000 1.006 297 L CA -0.258 54.667 54.840 0.142 0.000 0.836 297 L CB 1.592 43.816 42.059 0.275 0.000 1.221 297 L HN 0.649 nan 8.230 nan 0.000 0.418 298 S N 2.364 118.112 115.700 0.080 0.000 2.973 298 S HA 0.759 5.229 4.470 -0.000 0.000 0.317 298 S C -1.596 173.034 174.600 0.050 0.000 1.196 298 S CA -0.449 57.777 58.200 0.043 0.000 0.894 298 S CB 1.374 64.475 63.200 -0.165 0.000 1.292 298 S HN 0.313 nan 8.310 nan 0.000 0.614 299 F N 0.457 120.285 119.950 -0.203 0.000 2.565 299 F HA 0.842 5.369 4.527 -0.000 0.000 0.313 299 F C -0.248 175.372 175.800 -0.301 0.000 1.091 299 F CA -0.806 56.905 58.000 -0.481 0.000 0.915 299 F CB 1.837 40.091 39.000 -1.243 0.000 1.208 299 F HN 0.327 nan 8.300 nan 0.000 0.453 300 S N 3.364 118.994 115.700 -0.118 0.000 2.112 300 S HA 0.425 4.895 4.470 -0.000 0.000 0.151 300 S C -1.407 173.390 174.600 0.328 0.000 1.723 300 S CA -0.266 57.954 58.200 0.033 0.000 1.263 300 S CB -0.487 62.730 63.200 0.030 0.000 1.194 300 S HN 0.692 nan 8.310 nan 0.000 0.419 301 Y N 0.961 121.442 120.300 0.302 0.000 2.320 301 Y HA 0.479 5.029 4.550 -0.000 0.000 0.324 301 Y C 1.522 177.523 175.900 0.168 0.000 1.190 301 Y CA -0.728 57.505 58.100 0.221 0.000 1.215 301 Y CB 1.724 40.321 38.460 0.228 0.000 1.221 301 Y HN 0.616 nan 8.280 nan 0.000 0.486 302 G N 2.037 110.988 108.800 0.251 0.000 2.687 302 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.222 302 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.222 302 G C 1.248 176.212 174.900 0.107 0.000 1.445 302 G CA -0.278 44.909 45.100 0.144 0.000 0.836 302 G HN 0.559 nan 8.290 nan 0.000 0.598 303 R N 0.921 121.447 120.500 0.042 0.000 2.070 303 R HA 0.011 4.351 4.340 -0.000 0.000 0.233 303 R C 2.741 179.051 176.300 0.016 0.000 1.137 303 R CA 1.326 57.433 56.100 0.012 0.000 0.945 303 R CB -0.692 29.591 30.300 -0.029 0.000 0.845 303 R HN 0.302 nan 8.270 nan 0.000 0.430 304 A N 0.944 123.734 122.820 -0.050 0.000 2.272 304 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 304 A C 1.855 179.479 177.584 0.067 0.000 1.183 304 A CA 1.017 52.999 52.037 -0.090 0.000 0.719 304 A CB -0.296 18.442 19.000 -0.436 0.000 0.771 304 A HN 0.232 nan 8.150 nan 0.000 0.484 305 L N -2.449 118.882 121.223 0.180 0.000 2.731 305 L HA 0.131 4.471 4.340 -0.000 0.000 0.240 305 L C 1.774 178.807 176.870 0.271 0.000 1.120 305 L CA 0.300 55.294 54.840 0.256 0.000 0.913 305 L CB 0.284 42.570 42.059 0.378 0.000 1.213 305 L HN 0.382 nan 8.230 nan 0.000 0.515 306 Q N -1.159 118.755 119.800 0.190 0.000 2.164 306 Q HA 0.257 4.596 4.340 -0.000 0.000 0.226 306 Q C 1.911 178.005 176.000 0.156 0.000 0.813 306 Q CA 0.386 56.313 55.803 0.207 0.000 0.978 306 Q CB 0.953 29.815 28.738 0.207 0.000 1.149 306 Q HN 0.371 nan 8.270 nan 0.000 0.489 307 A N 1.288 124.167 122.820 0.098 0.000 1.858 307 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 307 A C 2.212 179.843 177.584 0.077 0.000 1.190 307 A CA 2.078 54.149 52.037 0.057 0.000 0.617 307 A CB -0.592 18.429 19.000 0.035 0.000 0.827 307 A HN 0.379 nan 8.150 nan 0.000 0.443 308 S N -0.134 115.623 115.700 0.095 0.000 2.453 308 S HA 0.223 4.693 4.470 -0.000 0.000 0.231 308 S C 1.968 176.655 174.600 0.145 0.000 1.005 308 S CA 1.018 59.278 58.200 0.100 0.000 0.949 308 S CB -0.402 62.848 63.200 0.083 0.000 0.774 308 S HN 0.793 nan 8.310 nan 0.000 0.510 309 A N 2.308 125.248 122.820 0.199 0.000 1.855 309 A HA 0.135 4.455 4.320 -0.000 0.000 0.215 309 A C 2.138 179.919 177.584 0.330 0.000 1.191 309 A CA 1.275 53.476 52.037 0.275 0.000 0.613 309 A CB -1.032 18.174 19.000 0.343 0.000 0.829 309 A HN 0.426 nan 8.150 nan 0.000 0.442 310 L N -0.124 121.257 121.223 0.263 0.000 2.051 310 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 310 L C 2.816 179.779 176.870 0.156 0.000 1.076 310 L CA 2.151 57.011 54.840 0.034 0.000 0.758 310 L CB -0.951 40.989 42.059 -0.197 0.000 0.890 310 L HN 0.432 nan 8.230 nan 0.000 0.433 311 A N -1.244 121.650 122.820 0.124 0.000 1.855 311 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 311 A C 2.406 180.060 177.584 0.117 0.000 1.191 311 A CA 1.651 53.742 52.037 0.090 0.000 0.613 311 A CB -1.081 17.957 19.000 0.063 0.000 0.829 311 A HN 0.452 nan 8.150 nan 0.000 0.442 312 A N -2.035 120.876 122.820 0.152 0.000 2.076 312 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 312 A C 1.890 179.614 177.584 0.233 0.000 1.160 312 A CA 1.659 53.792 52.037 0.160 0.000 0.653 312 A CB -0.692 18.407 19.000 0.164 0.000 0.801 312 A HN 0.876 nan 8.150 nan 0.000 0.455 313 W N 0.028 121.374 121.300 0.076 0.000 2.481 313 W HA 0.225 4.885 4.660 -0.000 0.000 0.293 313 W C 1.629 178.170 176.519 0.037 0.000 1.201 313 W CA 1.158 58.555 57.345 0.087 0.000 1.328 313 W CB -0.582 28.968 29.460 0.150 0.000 1.112 313 W HN 0.562 nan 8.180 nan 0.000 0.546 314 G N 0.519 109.298 108.800 -0.035 0.000 2.320 314 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.291 314 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.291 314 G C 1.255 175.722 174.900 -0.721 0.000 0.994 314 G CA 1.337 46.267 45.100 -0.283 0.000 0.760 314 G HN 1.546 nan 8.290 nan 0.000 0.514 315 G N -1.886 105.868 108.800 -1.744 0.000 2.176 315 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.232 315 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.232 315 G C 0.193 174.375 174.900 -1.197 0.000 0.986 315 G CA 0.663 44.535 45.100 -2.047 0.000 0.643 315 G HN 0.973 nan 8.290 nan 0.000 0.522 316 K N 0.450 120.311 120.400 -0.900 0.000 2.265 316 K HA 0.677 4.997 4.320 -0.000 0.000 0.267 316 K C 1.425 178.033 176.600 0.014 0.000 0.994 316 K CA -0.088 56.025 56.287 -0.289 0.000 0.860 316 K CB 1.753 34.148 32.500 -0.175 0.000 1.099 316 K HN 0.295 nan 8.250 nan 0.000 0.448 317 A N 3.112 125.996 122.820 0.106 0.000 1.986 317 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 317 A C 2.148 179.823 177.584 0.151 0.000 1.171 317 A CA 2.340 54.493 52.037 0.193 0.000 0.640 317 A CB -0.527 18.547 19.000 0.124 0.000 0.811 317 A HN 0.849 nan 8.150 nan 0.000 0.451 318 A N 0.099 122.973 122.820 0.089 0.000 2.024 318 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 318 A C 1.636 179.278 177.584 0.096 0.000 1.164 318 A CA 1.717 53.797 52.037 0.072 0.000 0.643 318 A CB -0.551 18.471 19.000 0.037 0.000 0.806 318 A HN 0.551 nan 8.150 nan 0.000 0.451 319 N N -0.209 118.573 118.700 0.136 0.000 2.521 319 N HA -0.046 4.694 4.740 -0.000 0.000 0.188 319 N C 1.285 176.913 175.510 0.198 0.000 1.146 319 N CA 0.677 53.828 53.050 0.168 0.000 0.893 319 N CB -0.248 38.353 38.487 0.191 0.000 0.975 319 N HN 0.649 nan 8.380 nan 0.000 0.451 320 K N 1.511 122.024 120.400 0.188 0.000 2.066 320 K HA -0.295 4.025 4.320 -0.000 0.000 0.221 320 K C 1.470 178.127 176.600 0.095 0.000 1.056 320 K CA 1.883 58.249 56.287 0.132 0.000 0.950 320 K CB -0.058 32.499 32.500 0.094 0.000 0.726 320 K HN 0.215 nan 8.250 nan 0.000 0.456 321 E N -0.892 119.359 120.200 0.086 0.000 2.077 321 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 321 E C 1.856 178.504 176.600 0.080 0.000 0.989 321 E CA 1.184 57.627 56.400 0.071 0.000 0.800 321 E CB -0.099 29.637 29.700 0.060 0.000 0.746 321 E HN 0.516 nan 8.360 nan 0.000 0.452 322 A N 0.098 122.977 122.820 0.098 0.000 1.929 322 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 322 A C 2.287 179.944 177.584 0.122 0.000 1.176 322 A CA 1.579 53.676 52.037 0.100 0.000 0.628 322 A CB -0.637 18.426 19.000 0.106 0.000 0.816 322 A HN 0.203 nan 8.150 nan 0.000 0.444 323 T N 0.444 115.087 114.554 0.147 0.000 2.622 323 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 323 T C 2.050 176.822 174.700 0.120 0.000 1.047 323 T CA 1.752 63.946 62.100 0.158 0.000 1.159 323 T CB -0.412 68.544 68.868 0.147 0.000 0.863 323 T HN 0.592 nan 8.240 nan 0.000 0.422 324 Q N 0.576 120.426 119.800 0.083 0.000 2.082 324 Q HA -0.214 4.126 4.340 -0.000 0.000 0.211 324 Q C 2.493 178.561 176.000 0.113 0.000 1.002 324 Q CA 1.435 57.297 55.803 0.099 0.000 0.868 324 Q CB -0.290 28.488 28.738 0.066 0.000 0.931 324 Q HN 0.480 nan 8.270 nan 0.000 0.414 325 E N 0.093 120.342 120.200 0.081 0.000 2.085 325 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 325 E C 1.918 178.552 176.600 0.057 0.000 0.994 325 E CA 1.187 57.619 56.400 0.055 0.000 0.801 325 E CB -0.085 29.647 29.700 0.053 0.000 0.743 325 E HN 0.362 nan 8.360 nan 0.000 0.453 326 A N 0.599 123.479 122.820 0.099 0.000 1.873 326 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 326 A C 2.031 179.693 177.584 0.130 0.000 1.186 326 A CA 1.280 53.383 52.037 0.110 0.000 0.616 326 A CB -0.792 18.292 19.000 0.140 0.000 0.823 326 A HN 0.352 nan 8.150 nan 0.000 0.442 327 F N 0.363 120.326 119.950 0.022 0.000 2.146 327 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 327 F C 2.159 177.963 175.800 0.007 0.000 1.096 327 F CA 1.851 59.858 58.000 0.011 0.000 1.275 327 F CB -0.276 38.710 39.000 -0.022 0.000 1.008 327 F HN 0.091 nan 8.300 nan 0.000 0.480 328 M N 0.422 119.841 119.600 -0.302 0.000 2.229 328 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 328 M C 2.246 178.409 176.300 -0.228 0.000 1.063 328 M CA 1.593 56.668 55.300 -0.375 0.000 1.114 328 M CB -0.964 31.532 32.600 -0.174 0.000 1.387 328 M HN 0.262 nan 8.290 nan 0.000 0.420 329 K N 0.270 120.601 120.400 -0.113 0.000 2.025 329 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 329 K C 2.109 178.648 176.600 -0.102 0.000 1.049 329 K CA 1.189 57.435 56.287 -0.068 0.000 0.933 329 K CB 0.104 32.598 32.500 -0.010 0.000 0.714 329 K HN 0.020 nan 8.250 nan 0.000 0.438 330 R N 0.375 120.815 120.500 -0.099 0.000 2.092 330 R HA -0.003 4.337 4.340 -0.000 0.000 0.231 330 R C 2.245 178.413 176.300 -0.221 0.000 1.119 330 R CA 1.349 57.377 56.100 -0.120 0.000 0.970 330 R CB -1.052 29.234 30.300 -0.024 0.000 0.864 330 R HN 0.392 nan 8.270 nan 0.000 0.440 331 A N 0.358 123.002 122.820 -0.294 0.000 2.015 331 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 331 A C 2.160 179.593 177.584 -0.251 0.000 1.163 331 A CA 1.103 52.951 52.037 -0.316 0.000 0.646 331 A CB -0.319 18.413 19.000 -0.448 0.000 0.806 331 A HN 0.185 nan 8.150 nan 0.000 0.448 332 M N -1.084 118.396 119.600 -0.200 0.000 2.349 332 M HA -0.005 4.475 4.480 -0.000 0.000 0.266 332 M C 2.378 178.615 176.300 -0.105 0.000 1.076 332 M CA 0.949 56.179 55.300 -0.116 0.000 1.126 332 M CB -0.137 32.416 32.600 -0.078 0.000 1.392 332 M HN 0.500 nan 8.290 nan 0.000 0.440 333 A N 0.619 123.343 122.820 -0.159 0.000 1.898 333 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 333 A C 1.779 179.168 177.584 -0.326 0.000 1.183 333 A CA 1.239 53.163 52.037 -0.188 0.000 0.622 333 A CB -0.615 18.204 19.000 -0.301 0.000 0.824 333 A HN 0.432 nan 8.150 nan 0.000 0.444 334 N N -0.257 118.155 118.700 -0.480 0.000 2.364 334 N HA -0.150 4.590 4.740 -0.000 0.000 0.183 334 N C 1.708 176.982 175.510 -0.393 0.000 1.022 334 N CA 1.366 53.995 53.050 -0.703 0.000 0.883 334 N CB -0.602 37.044 38.487 -1.402 0.000 0.965 334 N HN 0.624 nan 8.380 nan 0.000 0.438 335 C N 0.972 120.158 119.300 -0.191 0.000 2.450 335 C HA 0.046 4.506 4.460 -0.000 0.000 0.279 335 C C 2.554 177.588 174.990 0.074 0.000 1.335 335 C CA 0.547 59.615 59.018 0.084 0.000 1.749 335 C CB -0.717 27.073 27.740 0.083 0.000 1.963 335 C HN 0.397 nan 8.230 nan 0.000 0.501 336 Q N 0.277 120.099 119.800 0.037 0.000 2.049 336 Q HA -0.019 4.321 4.340 -0.000 0.000 0.198 336 Q C 2.552 178.620 176.000 0.112 0.000 0.971 336 Q CA 1.588 57.447 55.803 0.094 0.000 0.833 336 Q CB -0.274 28.559 28.738 0.159 0.000 0.896 336 Q HN 0.773 nan 8.270 nan 0.000 0.434 337 A N 0.919 123.779 122.820 0.067 0.000 1.940 337 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 337 A C 2.188 179.826 177.584 0.090 0.000 1.176 337 A CA 1.650 53.724 52.037 0.061 0.000 0.631 337 A CB -0.708 18.245 19.000 -0.078 0.000 0.814 337 A HN 0.423 nan 8.150 nan 0.000 0.446 338 A N -0.847 122.038 122.820 0.108 0.000 2.121 338 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 338 A C 1.748 179.400 177.584 0.113 0.000 1.154 338 A CA 1.626 53.753 52.037 0.151 0.000 0.679 338 A CB -0.211 18.919 19.000 0.217 0.000 0.795 338 A HN 0.499 nan 8.150 nan 0.000 0.458 339 K N -1.456 119.003 120.400 0.098 0.000 2.414 339 K HA 0.354 4.674 4.320 -0.000 0.000 0.204 339 K C 0.826 177.472 176.600 0.077 0.000 1.026 339 K CA 0.471 56.806 56.287 0.080 0.000 1.108 339 K CB 0.436 32.976 32.500 0.066 0.000 0.855 339 K HN 0.479 nan 8.250 nan 0.000 0.517 340 G N 1.588 110.441 108.800 0.089 0.000 2.179 340 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 340 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 340 G C 0.523 175.469 174.900 0.077 0.000 1.010 340 G CA 0.424 45.573 45.100 0.081 0.000 0.736 340 G HN 0.452 nan 8.290 nan 0.000 0.513 341 Q N -1.659 118.195 119.800 0.091 0.000 2.217 341 Q HA 0.241 4.581 4.340 -0.000 0.000 0.217 341 Q C 0.371 176.426 176.000 0.093 0.000 0.844 341 Q CA -0.453 55.395 55.803 0.073 0.000 0.957 341 Q CB 0.781 29.556 28.738 0.062 0.000 1.127 341 Q HN 0.641 nan 8.270 nan 0.000 0.503 342 Y N 0.814 121.117 120.300 0.005 0.000 2.316 342 Y HA 0.121 4.671 4.550 -0.000 0.000 0.331 342 Y C 0.904 176.807 175.900 0.006 0.000 1.083 342 Y CA -0.437 57.660 58.100 -0.005 0.000 1.206 342 Y CB 0.884 39.327 38.460 -0.029 0.000 1.195 342 Y HN -0.134 nan 8.280 nan 0.000 0.497 343 V N 1.767 121.249 119.914 -0.721 0.000 3.431 343 V HA 0.286 4.406 4.120 -0.000 0.000 0.253 343 V C -0.150 175.703 176.094 -0.400 0.000 1.184 343 V CA 0.789 62.842 62.300 -0.412 0.000 1.104 343 V CB -0.718 30.970 31.823 -0.225 0.000 0.799 343 V HN 0.907 nan 8.190 nan 0.000 0.462 344 H N -0.399 118.033 119.070 -1.063 0.000 3.280 344 H HA -0.048 4.508 4.556 -0.000 0.000 0.383 344 H C 0.471 175.455 175.328 -0.573 0.000 1.452 344 H CA 0.183 55.895 56.048 -0.560 0.000 1.944 344 H CB 0.253 29.929 29.762 -0.143 0.000 2.496 344 H HN 0.263 nan 8.280 nan 0.000 0.504 345 T N 1.904 116.460 114.554 0.003 0.000 2.559 345 T HA 0.268 4.618 4.350 -0.000 0.000 0.251 345 T C 1.238 175.971 174.700 0.056 0.000 1.122 345 T CA 1.186 63.341 62.100 0.092 0.000 1.231 345 T CB -0.476 68.580 68.868 0.313 0.000 0.881 345 T HN 1.395 nan 8.240 nan 0.000 0.397 346 G N 0.891 109.745 108.800 0.090 0.000 2.932 346 G HA2 0.205 4.165 3.960 -0.000 0.000 0.180 346 G HA3 0.205 4.165 3.960 -0.000 0.000 0.180 346 G C 0.073 175.014 174.900 0.068 0.000 1.072 346 G CA 0.282 45.415 45.100 0.054 0.000 0.997 346 G HN 0.985 nan 8.290 nan 0.000 0.541 347 S N -1.576 114.175 115.700 0.085 0.000 4.261 347 S HA 0.892 5.362 4.470 -0.000 0.000 0.232 347 S C 0.139 174.783 174.600 0.072 0.000 1.122 347 S CA 0.516 58.766 58.200 0.083 0.000 1.487 347 S CB 1.784 65.054 63.200 0.117 0.000 1.550 347 S HN 1.640 nan 8.310 nan 0.000 0.699 348 S N -1.419 114.329 115.700 0.080 0.000 2.685 348 S HA 0.864 5.334 4.470 -0.000 0.000 0.282 348 S C -0.726 173.923 174.600 0.081 0.000 1.159 348 S CA -0.064 58.177 58.200 0.069 0.000 0.833 348 S CB 1.187 64.422 63.200 0.058 0.000 1.151 348 S HN 1.580 nan 8.310 nan 0.000 0.485 349 G N -0.723 108.118 108.800 0.068 0.000 2.608 349 G HA2 0.687 4.646 3.960 -0.000 0.000 0.291 349 G HA3 0.687 4.646 3.960 -0.000 0.000 0.291 349 G C 0.161 175.092 174.900 0.052 0.000 1.425 349 G CA 0.210 45.351 45.100 0.069 0.000 0.787 349 G HN 1.815 nan 8.290 nan 0.000 0.484 350 A N -1.537 121.312 122.820 0.048 0.000 3.681 350 A HA 0.027 4.347 4.320 -0.000 0.000 0.238 350 A C 2.508 180.114 177.584 0.037 0.000 0.760 350 A CA 2.463 54.522 52.037 0.038 0.000 1.474 350 A CB -1.875 17.145 19.000 0.033 0.000 1.081 350 A HN 2.615 nan 8.150 nan 0.000 0.696 351 A N -1.663 121.182 122.820 0.042 0.000 1.870 351 A HA 0.213 4.533 4.320 -0.000 0.000 0.219 351 A C 1.410 179.016 177.584 0.037 0.000 1.224 351 A CA 2.827 54.891 52.037 0.045 0.000 0.650 351 A CB -0.395 18.635 19.000 0.049 0.000 0.836 351 A HN 2.347 nan 8.150 nan 0.000 0.454 352 S N -3.501 112.218 115.700 0.032 0.000 2.523 352 S HA 0.409 4.879 4.470 -0.000 0.000 0.335 352 S C -0.516 174.093 174.600 0.016 0.000 0.817 352 S CA 1.009 59.221 58.200 0.021 0.000 0.800 352 S CB 0.033 63.241 63.200 0.013 0.000 1.106 352 S HN 1.892 nan 8.310 nan 0.000 0.490 353 T N 3.081 117.649 114.554 0.024 0.000 4.517 353 T HA -0.069 4.281 4.350 -0.000 0.000 0.336 353 T C -0.183 174.536 174.700 0.032 0.000 0.790 353 T CA 0.962 63.082 62.100 0.035 0.000 2.037 353 T CB -1.519 67.385 68.868 0.060 0.000 1.896 353 T HN 0.736 nan 8.240 nan 0.000 1.014 354 Q N 0.841 120.657 119.800 0.027 0.000 2.521 354 Q HA 0.335 4.675 4.340 -0.000 0.000 0.215 354 Q C -0.144 175.878 176.000 0.037 0.000 0.750 354 Q CA 1.176 56.996 55.803 0.029 0.000 0.945 354 Q CB 0.882 29.636 28.738 0.027 0.000 1.320 354 Q HN 1.817 nan 8.270 nan 0.000 0.501 355 S N 0.003 115.725 115.700 0.038 0.000 3.225 355 S HA -0.073 4.397 4.470 -0.000 0.000 0.812 355 S C -0.359 174.291 174.600 0.083 0.000 0.610 355 S CA 0.373 58.611 58.200 0.064 0.000 1.518 355 S CB -1.567 61.685 63.200 0.087 0.000 1.023 355 S HN 0.372 nan 8.310 nan 0.000 0.891 356 L N 4.205 125.465 121.223 0.061 0.000 2.851 356 L HA 0.496 4.836 4.340 -0.000 0.000 0.237 356 L C 0.849 177.752 176.870 0.056 0.000 1.257 356 L CA -0.504 54.360 54.840 0.040 0.000 1.061 356 L CB -0.316 41.739 42.059 -0.007 0.000 1.372 356 L HN 0.663 nan 8.230 nan 0.000 0.493 357 F N 1.252 121.168 119.950 -0.057 0.000 2.518 357 F HA 0.292 4.819 4.527 -0.000 0.000 0.359 357 F C 0.368 176.095 175.800 -0.122 0.000 1.118 357 F CA 0.451 58.355 58.000 -0.159 0.000 1.287 357 F CB 0.664 39.453 39.000 -0.351 0.000 1.132 357 F HN -0.045 nan 8.300 nan 0.000 0.587 358 T N 5.642 119.521 114.554 -1.125 0.000 2.991 358 T HA 0.575 4.925 4.350 -0.000 0.000 0.303 358 T C -0.667 173.148 174.700 -1.474 0.000 1.015 358 T CA -0.474 61.078 62.100 -0.914 0.000 1.007 358 T CB 1.324 69.957 68.868 -0.391 0.000 1.034 358 T HN 0.821 nan 8.240 nan 0.000 0.446 359 A N 2.332 124.647 122.820 -0.842 0.000 2.438 359 A HA 0.551 4.871 4.320 -0.000 0.000 0.280 359 A C 0.345 177.823 177.584 -0.177 0.000 1.160 359 A CA -0.286 51.587 52.037 -0.272 0.000 0.821 359 A CB -0.741 18.462 19.000 0.338 0.000 1.101 359 A HN 0.982 nan 8.150 nan 0.000 0.515 360 C N 0.000 119.205 119.300 -0.158 0.000 2.653 360 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 360 C CA 0.000 58.960 59.018 -0.096 0.000 1.963 360 C CB 0.000 27.653 27.740 -0.146 0.000 2.134 360 C HN 0.000 nan 8.230 nan 0.000 0.568