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 2c1m_1_A DATA FIRST_RESID 75 DATA SEQUENCE NWSVEDIVKG INSNNLESQL QATQAARKLL SREKQPPIDN IIRAGLIPKF DATA SEQUENCE VSFLGKTDCS PIQFESAWAL TNIASGTSEQ TKAVVDGGAI PAFISLLASP DATA SEQUENCE HAHISEQAVW ALGNIAGDGS AFRDLVIKHG AIDPLLALLA VPDLSTLACG DATA SEQUENCE YLRNLTWTLS NLCRNKNPAP PLDAVEQILP TLVRLLHHND PEVLADSCWA DATA SEQUENCE ISYLTDGPNE RIEMVVKKGV VPQLVKLLGA TELPIVTPAL RAIGNIVTGT DATA SEQUENCE DEQTQKVIDA GALAVFPSLL TNPKTNIQKE ATWTMSNITA GRQDQIQQVV DATA SEQUENCE NHGLVPFLVG VLSKADFKTQ KEAAWAITNY TSGGTVEQIV YLVHCGIIEP DATA SEQUENCE LMNLLSAKDT KIIQVILDAI SNIFQAAEKL GETEKLSIMI EECGGLDKIE DATA SEQUENCE ALQRHENESV YKASLNLIEK YFSV 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 75 N HA 0.000 nan 4.740 nan 0.000 0.220 75 N C 0.000 175.655 175.510 0.242 0.000 1.280 75 N CA 0.000 53.148 53.050 0.164 0.000 0.885 75 N CB 0.000 38.552 38.487 0.108 0.000 1.341 76 W N 2.578 123.874 121.300 -0.007 0.000 2.126 76 W HA 0.261 4.921 4.660 -0.000 0.000 0.346 76 W C 1.292 177.811 176.519 0.001 0.000 1.279 76 W CA 0.141 57.485 57.345 -0.002 0.000 1.259 76 W CB 0.682 30.141 29.460 -0.001 0.000 1.133 76 W HN 0.031 nan 8.180 nan 0.000 0.592 77 S N -0.217 115.602 115.700 0.198 0.000 2.722 77 S HA 0.410 4.880 4.470 -0.000 0.000 0.292 77 S C 0.423 175.114 174.600 0.152 0.000 1.135 77 S CA -0.816 57.457 58.200 0.121 0.000 1.003 77 S CB 1.331 64.558 63.200 0.044 0.000 1.067 77 S HN 0.258 nan 8.310 nan 0.000 0.546 78 V N 1.354 121.331 119.914 0.105 0.000 2.407 78 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 78 V C 2.489 178.637 176.094 0.089 0.000 1.055 78 V CA 2.191 64.553 62.300 0.103 0.000 1.049 78 V CB -1.364 30.499 31.823 0.068 0.000 0.662 78 V HN 0.876 nan 8.190 nan 0.000 0.455 79 E N 0.211 120.444 120.200 0.054 0.000 2.110 79 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 79 E C 1.958 178.576 176.600 0.031 0.000 0.988 79 E CA 1.394 57.811 56.400 0.028 0.000 0.804 79 E CB -0.319 29.382 29.700 0.001 0.000 0.745 79 E HN 0.572 nan 8.360 nan 0.000 0.458 80 D N 0.176 120.594 120.400 0.030 0.000 2.117 80 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 80 D C 1.985 178.402 176.300 0.195 0.000 0.987 80 D CA 0.852 54.832 54.000 -0.033 0.000 0.829 80 D CB -0.161 40.514 40.800 -0.208 0.000 0.961 80 D HN 0.206 nan 8.370 nan 0.000 0.460 81 I N 0.458 121.237 120.570 0.348 0.000 2.226 81 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 81 I C 2.448 178.692 176.117 0.211 0.000 1.100 81 I CA 0.559 62.081 61.300 0.369 0.000 1.374 81 I CB -0.097 38.064 38.000 0.268 0.000 1.057 81 I HN -0.116 nan 8.210 nan 0.000 0.413 82 V N 1.986 121.971 119.914 0.119 0.000 2.261 82 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 82 V C 2.514 178.644 176.094 0.059 0.000 1.047 82 V CA 2.442 64.774 62.300 0.055 0.000 1.015 82 V CB -0.872 30.963 31.823 0.019 0.000 0.642 82 V HN 0.552 nan 8.190 nan 0.000 0.446 83 K N 0.725 121.156 120.400 0.052 0.000 2.209 83 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 83 K C 2.053 178.694 176.600 0.068 0.000 1.048 83 K CA 1.792 58.100 56.287 0.036 0.000 0.940 83 K CB -0.625 31.875 32.500 0.001 0.000 0.729 83 K HN 0.426 nan 8.250 nan 0.000 0.451 84 G N 1.788 110.665 108.800 0.128 0.000 2.395 84 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 84 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 84 G C 1.540 176.540 174.900 0.168 0.000 1.177 84 G CA 0.289 45.494 45.100 0.175 0.000 0.794 84 G HN 0.109 nan 8.290 nan 0.000 0.532 85 I N 1.758 122.439 120.570 0.184 0.000 2.163 85 I HA -0.142 4.028 4.170 -0.000 0.000 0.243 85 I C 2.020 178.245 176.117 0.180 0.000 1.085 85 I CA 1.126 62.559 61.300 0.221 0.000 1.347 85 I CB -0.802 37.291 38.000 0.156 0.000 1.044 85 I HN 0.170 nan 8.210 nan 0.000 0.408 86 N N 0.965 119.718 118.700 0.089 0.000 2.515 86 N HA -0.048 4.692 4.740 -0.000 0.000 0.185 86 N C 0.954 176.500 175.510 0.059 0.000 1.109 86 N CA 0.165 53.244 53.050 0.050 0.000 0.903 86 N CB 0.325 38.817 38.487 0.009 0.000 0.969 86 N HN 0.393 nan 8.380 nan 0.000 0.450 87 S N -0.245 115.501 115.700 0.077 0.000 2.634 87 S HA 0.171 4.641 4.470 -0.000 0.000 0.261 87 S C 0.743 175.384 174.600 0.068 0.000 1.271 87 S CA -0.374 57.862 58.200 0.061 0.000 0.985 87 S CB 1.022 64.257 63.200 0.058 0.000 0.968 87 S HN 0.127 nan 8.310 nan 0.000 0.568 88 N N -0.076 118.654 118.700 0.050 0.000 2.280 88 N HA 0.090 4.829 4.740 -0.000 0.000 0.192 88 N C -0.445 175.089 175.510 0.041 0.000 1.109 88 N CA -0.087 52.991 53.050 0.047 0.000 0.855 88 N CB -0.094 38.413 38.487 0.034 0.000 0.974 88 N HN 0.638 nan 8.380 nan 0.000 0.482 89 N N 1.312 120.037 118.700 0.041 0.000 2.402 89 N HA 0.112 4.851 4.740 -0.000 0.000 0.252 89 N C 1.101 176.627 175.510 0.027 0.000 1.118 89 N CA -0.214 52.856 53.050 0.033 0.000 0.945 89 N CB 0.641 39.151 38.487 0.037 0.000 1.147 89 N HN 0.065 nan 8.380 nan 0.000 0.495 90 L N 2.123 123.352 121.223 0.011 0.000 2.013 90 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 90 L C 2.042 178.894 176.870 -0.029 0.000 1.073 90 L CA 1.174 56.003 54.840 -0.018 0.000 0.753 90 L CB -0.271 41.777 42.059 -0.018 0.000 0.890 90 L HN 0.665 nan 8.230 nan 0.000 0.432 91 E N -0.287 119.911 120.200 -0.004 0.000 2.110 91 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 91 E C 2.387 179.002 176.600 0.025 0.000 0.988 91 E CA 1.286 57.688 56.400 0.003 0.000 0.804 91 E CB -0.105 29.606 29.700 0.018 0.000 0.745 91 E HN 0.385 nan 8.360 nan 0.000 0.458 92 S N 1.177 116.908 115.700 0.051 0.000 2.382 92 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 92 S C 1.952 176.610 174.600 0.098 0.000 1.027 92 S CA 0.965 59.228 58.200 0.105 0.000 0.991 92 S CB -0.102 63.159 63.200 0.102 0.000 0.823 92 S HN 0.310 nan 8.310 nan 0.000 0.469 93 Q N 0.263 120.086 119.800 0.039 0.000 2.050 93 Q HA -0.095 4.244 4.340 -0.000 0.000 0.202 93 Q C 2.293 178.235 176.000 -0.096 0.000 0.980 93 Q CA 1.251 57.054 55.803 -0.000 0.000 0.840 93 Q CB -0.342 28.339 28.738 -0.095 0.000 0.898 93 Q HN 0.390 nan 8.270 nan 0.000 0.424 94 L N 0.661 121.803 121.223 -0.135 0.000 2.056 94 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 94 L C 2.289 179.092 176.870 -0.111 0.000 1.078 94 L CA 1.851 56.602 54.840 -0.148 0.000 0.749 94 L CB -0.457 41.533 42.059 -0.116 0.000 0.901 94 L HN 0.169 nan 8.230 nan 0.000 0.433 95 Q N -0.922 118.834 119.800 -0.074 0.000 2.124 95 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 95 Q C 2.155 177.966 176.000 -0.314 0.000 0.977 95 Q CA 1.641 57.364 55.803 -0.134 0.000 0.850 95 Q CB -0.181 28.566 28.738 0.014 0.000 0.901 95 Q HN 0.701 nan 8.270 nan 0.000 0.429 96 A N -0.365 122.388 122.820 -0.111 0.000 1.898 96 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 96 A C 2.168 179.706 177.584 -0.077 0.000 1.181 96 A CA 1.779 53.771 52.037 -0.075 0.000 0.620 96 A CB -0.781 18.370 19.000 0.251 0.000 0.819 96 A HN 0.396 nan 8.150 nan 0.000 0.442 97 T N -0.422 114.134 114.554 0.003 0.000 2.746 97 T HA -0.186 4.163 4.350 -0.000 0.000 0.267 97 T C 2.075 176.691 174.700 -0.139 0.000 1.039 97 T CA 1.657 63.802 62.100 0.075 0.000 1.142 97 T CB -0.230 68.687 68.868 0.081 0.000 0.866 97 T HN 0.679 nan 8.240 nan 0.000 0.444 98 Q N 0.660 120.324 119.800 -0.226 0.000 2.119 98 Q HA -0.036 4.303 4.340 -0.000 0.000 0.201 98 Q C 2.422 178.187 176.000 -0.392 0.000 0.972 98 Q CA 1.334 56.954 55.803 -0.305 0.000 0.847 98 Q CB -0.293 28.293 28.738 -0.255 0.000 0.903 98 Q HN 0.530 nan 8.270 nan 0.000 0.433 99 A N 0.590 123.104 122.820 -0.510 0.000 1.972 99 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 99 A C 2.234 179.622 177.584 -0.326 0.000 1.169 99 A CA 1.506 53.180 52.037 -0.605 0.000 0.635 99 A CB -0.845 17.426 19.000 -1.216 0.000 0.810 99 A HN 0.561 nan 8.150 nan 0.000 0.446 100 A N -0.189 122.504 122.820 -0.211 0.000 1.873 100 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 100 A C 2.282 179.743 177.584 -0.204 0.000 1.186 100 A CA 1.594 53.587 52.037 -0.073 0.000 0.616 100 A CB -0.551 18.541 19.000 0.153 0.000 0.823 100 A HN 0.505 nan 8.150 nan 0.000 0.442 101 R N 0.143 120.427 120.500 -0.360 0.000 2.091 101 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 101 R C 2.002 177.988 176.300 -0.524 0.000 1.136 101 R CA 1.918 57.691 56.100 -0.546 0.000 0.959 101 R CB -0.317 29.520 30.300 -0.771 0.000 0.856 101 R HN 0.530 nan 8.270 nan 0.000 0.437 102 K N 0.369 120.505 120.400 -0.440 0.000 2.057 102 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 102 K C 2.242 178.719 176.600 -0.205 0.000 1.049 102 K CA 1.406 57.493 56.287 -0.333 0.000 0.931 102 K CB -0.166 32.166 32.500 -0.279 0.000 0.714 102 K HN 0.244 nan 8.250 nan 0.000 0.440 103 L N 0.853 121.980 121.223 -0.159 0.000 2.046 103 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 103 L C 2.252 179.083 176.870 -0.064 0.000 1.077 103 L CA 0.995 55.789 54.840 -0.076 0.000 0.747 103 L CB -0.371 41.672 42.059 -0.028 0.000 0.896 103 L HN 0.174 nan 8.230 nan 0.000 0.432 104 L N -1.232 119.934 121.223 -0.095 0.000 2.362 104 L HA -0.113 4.227 4.340 -0.000 0.000 0.219 104 L C 2.405 179.248 176.870 -0.046 0.000 1.134 104 L CA 0.505 55.309 54.840 -0.060 0.000 0.807 104 L CB -0.293 41.719 42.059 -0.078 0.000 0.927 104 L HN 0.157 nan 8.230 nan 0.000 0.447 105 S N -1.111 114.535 115.700 -0.091 0.000 2.446 105 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 105 S C 0.799 175.400 174.600 0.001 0.000 1.016 105 S CA -0.094 58.089 58.200 -0.029 0.000 0.943 105 S CB -0.040 63.112 63.200 -0.080 0.000 0.786 105 S HN 0.306 nan 8.310 nan 0.000 0.508 106 R N 2.194 122.684 120.500 -0.018 0.000 2.481 106 R HA -0.056 4.283 4.340 -0.000 0.000 0.291 106 R C 0.987 177.296 176.300 0.016 0.000 0.934 106 R CA 0.352 56.451 56.100 -0.001 0.000 1.116 106 R CB 0.192 30.490 30.300 -0.003 0.000 0.895 106 R HN 0.482 nan 8.270 nan 0.000 0.410 107 E N 2.683 122.895 120.200 0.019 0.000 2.028 107 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 107 E C -0.062 176.550 176.600 0.021 0.000 0.984 107 E CA 1.114 57.528 56.400 0.024 0.000 0.800 107 E CB 0.147 29.861 29.700 0.023 0.000 0.758 107 E HN 0.357 nan 8.360 nan 0.000 0.448 108 K N 1.974 122.384 120.400 0.017 0.000 2.219 108 K HA 0.078 4.398 4.320 -0.000 0.000 0.280 108 K C -0.962 175.648 176.600 0.017 0.000 1.104 108 K CA -0.050 56.247 56.287 0.016 0.000 0.925 108 K CB 0.716 33.225 32.500 0.014 0.000 1.261 108 K HN -0.016 nan 8.250 nan 0.000 0.445 109 Q N 0.766 120.577 119.800 0.019 0.000 2.416 109 Q HA -0.118 4.222 4.340 -0.000 0.000 0.353 109 Q C -2.549 173.463 176.000 0.020 0.000 1.408 109 Q CA 0.355 56.170 55.803 0.020 0.000 0.939 109 Q CB -1.169 27.580 28.738 0.018 0.000 1.112 109 Q HN 0.491 nan 8.270 nan 0.000 0.321 110 P HA 0.317 nan 4.420 nan 0.000 0.294 110 P C -2.337 174.980 177.300 0.027 0.000 1.294 110 P CA -1.733 61.379 63.100 0.021 0.000 0.827 110 P CB 1.315 33.028 31.700 0.021 0.000 0.992 111 P HA 0.078 nan 4.420 nan 0.000 0.249 111 P C 1.272 178.600 177.300 0.047 0.000 1.686 111 P CA -0.178 62.944 63.100 0.038 0.000 0.873 111 P CB -0.168 31.557 31.700 0.042 0.000 1.828 112 I N 0.802 121.400 120.570 0.046 0.000 2.091 112 I HA -0.236 3.934 4.170 -0.000 0.000 0.239 112 I C 1.786 177.938 176.117 0.059 0.000 1.061 112 I CA 1.641 62.976 61.300 0.058 0.000 1.317 112 I CB -1.382 36.652 38.000 0.055 0.000 1.031 112 I HN 0.141 nan 8.210 nan 0.000 0.401 113 D N 0.715 121.143 120.400 0.047 0.000 2.144 113 D HA -0.170 4.469 4.640 -0.000 0.000 0.199 113 D C 1.912 178.234 176.300 0.037 0.000 0.984 113 D CA 1.188 55.212 54.000 0.040 0.000 0.834 113 D CB -0.472 40.347 40.800 0.032 0.000 0.955 113 D HN 0.538 nan 8.370 nan 0.000 0.465 114 N N 0.720 119.443 118.700 0.038 0.000 2.120 114 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 114 N C 2.270 177.803 175.510 0.039 0.000 1.024 114 N CA 0.794 53.865 53.050 0.035 0.000 0.852 114 N CB -0.104 38.406 38.487 0.038 0.000 1.003 114 N HN 0.287 nan 8.380 nan 0.000 0.424 115 I N -0.893 119.712 120.570 0.059 0.000 2.439 115 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 115 I C 1.827 177.969 176.117 0.041 0.000 1.139 115 I CA 1.035 62.376 61.300 0.067 0.000 1.438 115 I CB -0.163 37.923 38.000 0.142 0.000 1.085 115 I HN 0.032 nan 8.210 nan 0.000 0.427 116 I N 1.206 121.806 120.570 0.050 0.000 2.142 116 I HA -0.216 3.953 4.170 -0.000 0.000 0.240 116 I C 2.832 178.952 176.117 0.004 0.000 1.078 116 I CA 1.464 62.783 61.300 0.032 0.000 1.343 116 I CB -0.414 37.612 38.000 0.043 0.000 1.046 116 I HN 0.148 nan 8.210 nan 0.000 0.405 117 R N 0.575 121.080 120.500 0.009 0.000 2.152 117 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 117 R C 2.161 178.453 176.300 -0.014 0.000 1.117 117 R CA 1.194 57.294 56.100 -0.001 0.000 0.981 117 R CB -0.338 29.965 30.300 0.006 0.000 0.870 117 R HN 0.357 nan 8.270 nan 0.000 0.451 118 A N 0.269 123.080 122.820 -0.016 0.000 2.209 118 A HA 0.093 4.413 4.320 -0.000 0.000 0.212 118 A C 1.400 178.945 177.584 -0.065 0.000 1.158 118 A CA 0.915 52.933 52.037 -0.030 0.000 0.742 118 A CB -0.282 18.706 19.000 -0.020 0.000 0.790 118 A HN 0.454 nan 8.150 nan 0.000 0.472 119 G N -1.114 107.643 108.800 -0.072 0.000 2.176 119 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 119 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 119 G C 0.648 175.436 174.900 -0.186 0.000 1.024 119 G CA 0.500 45.538 45.100 -0.103 0.000 0.755 119 G HN 0.464 nan 8.290 nan 0.000 0.507 120 L N -0.071 121.006 121.223 -0.242 0.000 2.240 120 L HA 0.070 4.410 4.340 -0.000 0.000 0.211 120 L C 2.941 179.406 176.870 -0.676 0.000 1.106 120 L CA 0.384 54.905 54.840 -0.532 0.000 0.793 120 L CB -0.419 41.283 42.059 -0.595 0.000 0.927 120 L HN 0.315 nan 8.230 nan 0.000 0.446 121 I N 0.723 121.133 120.570 -0.266 0.000 2.113 121 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 121 I C -0.023 176.002 176.117 -0.152 0.000 1.064 121 I CA 2.097 63.355 61.300 -0.071 0.000 1.320 121 I CB -2.318 35.681 38.000 -0.001 0.000 1.028 121 I HN 0.201 nan 8.210 nan 0.000 0.406 122 P HA -0.158 nan 4.420 nan 0.000 0.216 122 P C 1.541 178.661 177.300 -0.299 0.000 1.150 122 P CA 1.427 64.409 63.100 -0.197 0.000 0.837 122 P CB -0.050 31.549 31.700 -0.169 0.000 0.786 123 K N -1.288 118.845 120.400 -0.445 0.000 2.057 123 K HA -0.053 4.266 4.320 -0.000 0.000 0.206 123 K C 1.958 178.130 176.600 -0.714 0.000 1.050 123 K CA 1.337 57.215 56.287 -0.683 0.000 0.935 123 K CB -1.307 30.761 32.500 -0.720 0.000 0.715 123 K HN 0.189 nan 8.250 nan 0.000 0.439 124 F N 1.331 121.095 119.950 -0.310 0.000 2.134 124 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 124 F C 2.516 178.217 175.800 -0.165 0.000 1.097 124 F CA 0.396 58.312 58.000 -0.140 0.000 1.264 124 F CB -1.371 37.602 39.000 -0.045 0.000 1.001 124 F HN -0.276 nan 8.300 nan 0.000 0.479 125 V N -0.944 118.953 119.914 -0.029 0.000 2.332 125 V HA -0.291 3.828 4.120 -0.000 0.000 0.248 125 V C 2.595 178.615 176.094 -0.124 0.000 1.055 125 V CA 2.058 64.281 62.300 -0.129 0.000 1.038 125 V CB -0.977 30.758 31.823 -0.147 0.000 0.651 125 V HN 0.430 nan 8.190 nan 0.000 0.450 126 S N -0.519 115.077 115.700 -0.174 0.000 2.368 126 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 126 S C 1.824 176.425 174.600 0.002 0.000 1.029 126 S CA 1.348 59.461 58.200 -0.145 0.000 0.988 126 S CB -0.353 62.696 63.200 -0.251 0.000 0.838 126 S HN 0.490 nan 8.310 nan 0.000 0.462 127 F N 1.981 121.938 119.950 0.011 0.000 2.333 127 F HA 0.118 4.645 4.527 0.000 0.000 0.300 127 F C 1.901 177.704 175.800 0.006 0.000 1.083 127 F CA 0.066 58.082 58.000 0.027 0.000 1.395 127 F CB -0.872 38.172 39.000 0.075 0.000 1.056 127 F HN 0.219 nan 8.300 nan 0.000 0.529 128 L N -0.867 120.441 121.223 0.141 0.000 2.191 128 L HA -0.128 4.211 4.340 -0.000 0.000 0.212 128 L C 2.435 179.332 176.870 0.045 0.000 1.103 128 L CA 1.329 56.193 54.840 0.041 0.000 0.769 128 L CB -1.131 40.859 42.059 -0.115 0.000 0.908 128 L HN 0.218 nan 8.230 nan 0.000 0.438 129 G N -0.758 108.073 108.800 0.050 0.000 2.985 129 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.209 129 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.209 129 G C 0.626 175.567 174.900 0.068 0.000 1.165 129 G CA -0.238 44.889 45.100 0.045 0.000 0.776 129 G HN 0.067 nan 8.290 nan 0.000 0.541 130 K N 1.568 122.028 120.400 0.100 0.000 2.243 130 K HA 0.256 4.576 4.320 -0.000 0.000 0.232 130 K C 1.507 178.142 176.600 0.058 0.000 1.237 130 K CA -0.070 56.269 56.287 0.086 0.000 1.161 130 K CB -0.162 32.397 32.500 0.098 0.000 1.505 130 K HN 0.003 nan 8.250 nan 0.000 0.271 131 T N 0.276 114.863 114.554 0.056 0.000 2.849 131 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 131 T C 1.232 175.963 174.700 0.052 0.000 1.066 131 T CA 1.768 63.902 62.100 0.057 0.000 1.130 131 T CB -0.136 68.765 68.868 0.055 0.000 0.864 131 T HN 0.608 nan 8.240 nan 0.000 0.481 132 D N -0.024 120.401 120.400 0.041 0.000 2.183 132 D HA -0.052 4.588 4.640 -0.000 0.000 0.203 132 D C 1.020 177.331 176.300 0.019 0.000 0.969 132 D CA 0.411 54.431 54.000 0.033 0.000 0.842 132 D CB -0.433 40.384 40.800 0.028 0.000 0.957 132 D HN 0.387 nan 8.370 nan 0.000 0.484 133 C N 1.941 121.245 119.300 0.007 0.000 2.439 133 C HA 0.398 4.858 4.460 -0.000 0.000 0.298 133 C C 2.007 176.979 174.990 -0.030 0.000 1.094 133 C CA -0.286 58.720 59.018 -0.020 0.000 1.609 133 C CB -1.004 26.705 27.740 -0.051 0.000 1.723 133 C HN 0.329 nan 8.230 nan 0.000 0.423 134 S N 4.667 120.335 115.700 -0.053 0.000 2.383 134 S HA -0.062 4.408 4.470 -0.000 0.000 0.229 134 S C -0.642 173.916 174.600 -0.070 0.000 1.030 134 S CA 2.026 60.144 58.200 -0.136 0.000 1.002 134 S CB -0.488 62.480 63.200 -0.388 0.000 0.829 134 S HN 0.722 nan 8.310 nan 0.000 0.467 135 P HA 0.048 nan 4.420 nan 0.000 0.217 135 P C 1.557 178.898 177.300 0.068 0.000 1.151 135 P CA 0.754 63.893 63.100 0.065 0.000 0.828 135 P CB -0.071 31.648 31.700 0.032 0.000 0.788 136 I N -1.073 119.481 120.570 -0.027 0.000 2.546 136 I HA -0.213 3.957 4.170 -0.000 0.000 0.255 136 I C 2.176 178.291 176.117 -0.003 0.000 1.163 136 I CA 1.229 62.473 61.300 -0.094 0.000 1.457 136 I CB -0.077 37.743 38.000 -0.299 0.000 1.092 136 I HN -0.074 nan 8.210 nan 0.000 0.434 137 Q N -0.211 119.614 119.800 0.042 0.000 2.050 137 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 137 Q C 2.128 178.210 176.000 0.136 0.000 0.980 137 Q CA 1.997 57.855 55.803 0.092 0.000 0.840 137 Q CB -0.218 28.561 28.738 0.069 0.000 0.898 137 Q HN 0.531 nan 8.270 nan 0.000 0.424 138 F N 1.732 121.678 119.950 -0.006 0.000 2.146 138 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 138 F C 2.062 177.944 175.800 0.138 0.000 1.096 138 F CA 1.571 59.588 58.000 0.029 0.000 1.275 138 F CB -0.114 38.888 39.000 0.004 0.000 1.008 138 F HN -0.020 nan 8.300 nan 0.000 0.480 139 E N 0.403 120.547 120.200 -0.094 0.000 2.051 139 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 139 E C 2.453 178.908 176.600 -0.242 0.000 0.991 139 E CA 1.933 58.192 56.400 -0.234 0.000 0.799 139 E CB -0.472 29.152 29.700 -0.127 0.000 0.748 139 E HN 0.485 nan 8.360 nan 0.000 0.449 140 S N -0.263 115.370 115.700 -0.111 0.000 2.406 140 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 140 S C 2.188 176.723 174.600 -0.108 0.000 1.020 140 S CA 0.807 58.910 58.200 -0.162 0.000 0.965 140 S CB -0.240 63.080 63.200 0.200 0.000 0.798 140 S HN 0.305 nan 8.310 nan 0.000 0.488 141 A N 1.634 124.478 122.820 0.040 0.000 1.877 141 A HA -0.052 4.267 4.320 -0.000 0.000 0.216 141 A C 1.905 179.640 177.584 0.252 0.000 1.186 141 A CA 1.343 53.539 52.037 0.266 0.000 0.620 141 A CB -1.283 17.931 19.000 0.357 0.000 0.822 141 A HN 0.728 nan 8.150 nan 0.000 0.443 142 W N 0.850 122.027 121.300 -0.204 0.000 2.355 142 W HA -0.124 4.536 4.660 -0.000 0.000 0.309 142 W C 2.496 178.896 176.519 -0.199 0.000 1.206 142 W CA 1.664 58.863 57.345 -0.243 0.000 1.284 142 W CB -0.848 28.299 29.460 -0.522 0.000 1.145 142 W HN 0.398 nan 8.180 nan 0.000 0.502 143 A N 0.367 123.084 122.820 -0.172 0.000 1.908 143 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 143 A C 2.290 179.757 177.584 -0.194 0.000 1.181 143 A CA 1.886 53.693 52.037 -0.384 0.000 0.627 143 A CB -1.089 17.355 19.000 -0.927 0.000 0.818 143 A HN 0.330 nan 8.150 nan 0.000 0.445 144 L N -0.998 120.173 121.223 -0.087 0.000 2.156 144 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 144 L C 2.707 179.710 176.870 0.221 0.000 1.095 144 L CA 1.502 56.424 54.840 0.135 0.000 0.770 144 L CB -0.542 41.667 42.059 0.250 0.000 0.914 144 L HN 0.343 nan 8.230 nan 0.000 0.439 145 T N -0.644 114.053 114.554 0.239 0.000 2.737 145 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 145 T C 1.636 176.451 174.700 0.192 0.000 1.038 145 T CA 1.253 63.468 62.100 0.191 0.000 1.144 145 T CB -0.195 68.813 68.868 0.232 0.000 0.866 145 T HN 0.270 nan 8.240 nan 0.000 0.434 146 N N 1.160 119.991 118.700 0.218 0.000 2.272 146 N HA 0.014 4.754 4.740 -0.000 0.000 0.185 146 N C 1.650 177.231 175.510 0.118 0.000 1.014 146 N CA 0.817 53.974 53.050 0.178 0.000 0.870 146 N CB -0.350 38.214 38.487 0.128 0.000 0.975 146 N HN 0.440 nan 8.380 nan 0.000 0.433 147 I N -0.147 120.486 120.570 0.106 0.000 2.480 147 I HA -0.039 4.131 4.170 -0.000 0.000 0.251 147 I C 2.102 178.274 176.117 0.092 0.000 1.124 147 I CA 0.468 61.826 61.300 0.098 0.000 1.444 147 I CB -0.163 37.904 38.000 0.112 0.000 1.098 147 I HN 0.034 nan 8.210 nan 0.000 0.428 148 A N 0.117 122.993 122.820 0.093 0.000 1.969 148 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 148 A C 2.341 179.951 177.584 0.044 0.000 1.169 148 A CA 1.650 53.723 52.037 0.060 0.000 0.635 148 A CB -0.543 18.474 19.000 0.028 0.000 0.810 148 A HN 0.340 nan 8.150 nan 0.000 0.445 149 S N -0.129 115.608 115.700 0.062 0.000 2.603 149 S HA 0.162 4.632 4.470 -0.000 0.000 0.229 149 S C 1.297 175.942 174.600 0.075 0.000 0.972 149 S CA 0.359 58.601 58.200 0.069 0.000 0.935 149 S CB -0.297 62.989 63.200 0.144 0.000 0.769 149 S HN 0.761 nan 8.310 nan 0.000 0.536 150 G N 1.653 110.496 108.800 0.073 0.000 2.624 150 G HA2 0.330 4.290 3.960 -0.000 0.000 0.217 150 G HA3 0.330 4.290 3.960 -0.000 0.000 0.217 150 G C 0.381 175.316 174.900 0.058 0.000 1.506 150 G CA -0.011 45.129 45.100 0.066 0.000 1.072 150 G HN 0.411 nan 8.290 nan 0.000 0.568 151 T N -2.214 112.373 114.554 0.054 0.000 2.734 151 T HA 0.209 4.558 4.350 -0.000 0.000 0.314 151 T C 0.768 175.503 174.700 0.058 0.000 1.057 151 T CA 0.295 62.423 62.100 0.047 0.000 1.047 151 T CB 0.795 69.687 68.868 0.040 0.000 0.991 151 T HN 0.182 nan 8.240 nan 0.000 0.540 152 S N 0.907 116.635 115.700 0.047 0.000 3.122 152 S HA 0.162 4.632 4.470 -0.000 0.000 0.249 152 S C 0.836 175.475 174.600 0.064 0.000 1.334 152 S CA -0.282 57.951 58.200 0.056 0.000 1.251 152 S CB -0.796 62.409 63.200 0.007 0.000 1.034 152 S HN 0.880 nan 8.310 nan 0.000 0.478 153 E N 0.320 120.568 120.200 0.080 0.000 3.027 153 E HA 0.008 4.358 4.350 -0.000 0.000 0.221 153 E C 1.149 177.801 176.600 0.088 0.000 1.070 153 E CA 0.045 56.491 56.400 0.076 0.000 1.705 153 E CB -0.249 29.481 29.700 0.049 0.000 1.998 153 E HN 0.352 nan 8.360 nan 0.000 0.976 154 Q N 0.482 120.329 119.800 0.078 0.000 2.167 154 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 154 Q C 1.813 177.865 176.000 0.087 0.000 0.970 154 Q CA 1.916 57.764 55.803 0.076 0.000 0.855 154 Q CB 0.082 28.862 28.738 0.069 0.000 0.911 154 Q HN 0.219 nan 8.270 nan 0.000 0.438 155 T N 1.191 115.809 114.554 0.107 0.000 2.777 155 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 155 T C 1.688 176.448 174.700 0.099 0.000 1.040 155 T CA 1.197 63.363 62.100 0.111 0.000 1.141 155 T CB -0.087 68.882 68.868 0.170 0.000 0.868 155 T HN 0.235 nan 8.240 nan 0.000 0.444 156 K N 1.097 121.620 120.400 0.204 0.000 2.097 156 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 156 K C 2.469 179.113 176.600 0.073 0.000 1.049 156 K CA 1.122 57.544 56.287 0.224 0.000 0.933 156 K CB -0.284 32.399 32.500 0.305 0.000 0.717 156 K HN 0.283 nan 8.250 nan 0.000 0.442 157 A N 0.631 123.491 122.820 0.067 0.000 1.902 157 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 157 A C 2.202 179.796 177.584 0.016 0.000 1.181 157 A CA 1.652 53.713 52.037 0.040 0.000 0.623 157 A CB -0.615 18.413 19.000 0.048 0.000 0.818 157 A HN 0.168 nan 8.150 nan 0.000 0.443 158 V N -0.431 119.495 119.914 0.021 0.000 2.343 158 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 158 V C 2.556 178.623 176.094 -0.045 0.000 1.051 158 V CA 1.964 64.276 62.300 0.020 0.000 1.036 158 V CB -0.800 31.061 31.823 0.063 0.000 0.654 158 V HN 0.372 nan 8.190 nan 0.000 0.451 159 V N 0.253 120.084 119.914 -0.138 0.000 2.295 159 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 159 V C 2.253 178.271 176.094 -0.126 0.000 1.049 159 V CA 2.183 64.343 62.300 -0.233 0.000 1.024 159 V CB -0.700 30.771 31.823 -0.587 0.000 0.648 159 V HN 0.547 nan 8.190 nan 0.000 0.447 160 D N 0.781 121.139 120.400 -0.070 0.000 2.218 160 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 160 D C 2.075 178.352 176.300 -0.038 0.000 0.976 160 D CA 1.430 55.413 54.000 -0.028 0.000 0.853 160 D CB -0.458 40.344 40.800 0.003 0.000 0.939 160 D HN 0.503 nan 8.370 nan 0.000 0.481 161 G N -0.583 108.189 108.800 -0.046 0.000 2.776 161 G HA2 0.184 4.144 3.960 -0.000 0.000 0.209 161 G HA3 0.184 4.144 3.960 -0.000 0.000 0.209 161 G C 1.246 176.098 174.900 -0.081 0.000 1.145 161 G CA 0.539 45.604 45.100 -0.057 0.000 0.791 161 G HN 0.439 nan 8.290 nan 0.000 0.530 162 G N -0.994 107.753 108.800 -0.089 0.000 2.143 162 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.249 162 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.249 162 G C 1.327 176.134 174.900 -0.156 0.000 0.981 162 G CA 0.997 46.026 45.100 -0.120 0.000 0.665 162 G HN 1.152 nan 8.290 nan 0.000 0.528 163 A N 0.026 122.765 122.820 -0.135 0.000 1.978 163 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 163 A C 2.378 179.919 177.584 -0.071 0.000 1.170 163 A CA 1.850 53.784 52.037 -0.171 0.000 0.636 163 A CB -0.325 18.650 19.000 -0.043 0.000 0.810 163 A HN 0.807 nan 8.150 nan 0.000 0.448 164 I N 0.425 120.960 120.570 -0.059 0.000 2.069 164 I HA -0.210 3.960 4.170 -0.000 0.000 0.237 164 I C -0.232 175.824 176.117 -0.101 0.000 1.053 164 I CA 2.013 63.288 61.300 -0.040 0.000 1.311 164 I CB -1.363 36.562 38.000 -0.125 0.000 1.030 164 I HN 0.270 nan 8.210 nan 0.000 0.398 165 P HA -0.158 nan 4.420 nan 0.000 0.218 165 P C 1.352 178.599 177.300 -0.090 0.000 1.149 165 P CA 1.964 64.936 63.100 -0.213 0.000 0.817 165 P CB -0.035 31.481 31.700 -0.306 0.000 0.785 166 A N -0.479 122.264 122.820 -0.130 0.000 1.902 166 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 166 A C 2.058 179.597 177.584 -0.075 0.000 1.181 166 A CA 1.294 53.247 52.037 -0.140 0.000 0.623 166 A CB -1.697 17.149 19.000 -0.257 0.000 0.818 166 A HN 0.020 nan 8.150 nan 0.000 0.443 167 F N 0.019 119.959 119.950 -0.017 0.000 2.186 167 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 167 F C 2.135 177.945 175.800 0.016 0.000 1.090 167 F CA 0.731 58.736 58.000 0.009 0.000 1.307 167 F CB -0.462 38.539 39.000 0.002 0.000 1.019 167 F HN 0.121 nan 8.300 nan 0.000 0.489 168 I N -0.375 120.306 120.570 0.186 0.000 2.286 168 I HA -0.311 3.858 4.170 -0.000 0.000 0.248 168 I C 2.418 178.594 176.117 0.098 0.000 1.115 168 I CA 1.684 63.054 61.300 0.118 0.000 1.392 168 I CB -0.590 37.459 38.000 0.081 0.000 1.065 168 I HN 0.153 nan 8.210 nan 0.000 0.418 169 S N 0.592 116.338 115.700 0.077 0.000 2.515 169 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 169 S C 1.735 176.385 174.600 0.084 0.000 0.987 169 S CA 0.523 58.762 58.200 0.065 0.000 0.936 169 S CB -0.444 62.780 63.200 0.039 0.000 0.766 169 S HN 0.444 nan 8.310 nan 0.000 0.528 170 L N 0.453 121.746 121.223 0.118 0.000 2.558 170 L HA 0.267 4.607 4.340 -0.000 0.000 0.225 170 L C 2.039 178.994 176.870 0.141 0.000 1.128 170 L CA 0.115 55.037 54.840 0.138 0.000 0.868 170 L CB -0.402 41.769 42.059 0.187 0.000 1.006 170 L HN 0.302 nan 8.230 nan 0.000 0.454 171 L N 0.329 121.630 121.223 0.131 0.000 2.079 171 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 171 L C 2.523 179.460 176.870 0.111 0.000 1.081 171 L CA 1.310 56.224 54.840 0.122 0.000 0.752 171 L CB -0.539 41.580 42.059 0.099 0.000 0.896 171 L HN 0.281 nan 8.230 nan 0.000 0.433 172 A N -0.946 121.929 122.820 0.092 0.000 2.259 172 A HA 0.003 4.323 4.320 -0.000 0.000 0.208 172 A C 1.245 178.871 177.584 0.071 0.000 1.201 172 A CA 0.101 52.182 52.037 0.075 0.000 0.824 172 A CB -0.325 18.711 19.000 0.059 0.000 0.838 172 A HN 0.282 nan 8.150 nan 0.000 0.485 173 S N 0.532 116.287 115.700 0.091 0.000 2.546 173 S HA 0.155 4.625 4.470 -0.000 0.000 0.290 173 S C -1.105 173.529 174.600 0.057 0.000 1.290 173 S CA -0.752 57.510 58.200 0.103 0.000 1.069 173 S CB 0.621 63.906 63.200 0.141 0.000 0.846 173 S HN 0.245 nan 8.310 nan 0.000 0.495 174 P HA -0.042 nan 4.420 nan 0.000 0.218 174 P C -0.630 176.540 177.300 -0.216 0.000 1.149 174 P CA 1.125 64.131 63.100 -0.156 0.000 0.817 174 P CB -0.045 31.489 31.700 -0.277 0.000 0.785 175 H N -0.939 118.135 119.070 0.006 0.000 2.864 175 H HA 0.360 4.916 4.556 -0.000 0.000 0.281 175 H C 1.456 176.778 175.328 -0.009 0.000 1.093 175 H CA 0.106 56.165 56.048 0.019 0.000 1.453 175 H CB 0.325 30.093 29.762 0.011 0.000 1.462 175 H HN -0.023 nan 8.280 nan 0.000 0.480 176 A N 3.726 126.592 122.820 0.076 0.000 1.892 176 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 176 A C 2.082 179.696 177.584 0.050 0.000 1.188 176 A CA 1.937 53.966 52.037 -0.013 0.000 0.631 176 A CB -0.678 18.234 19.000 -0.147 0.000 0.822 176 A HN 0.976 nan 8.150 nan 0.000 0.447 177 H N -0.783 118.226 119.070 -0.101 0.000 2.489 177 H HA 0.028 4.584 4.556 -0.000 0.000 0.293 177 H C 1.808 177.132 175.328 -0.007 0.000 1.066 177 H CA 1.457 57.415 56.048 -0.150 0.000 1.305 177 H CB -0.684 28.825 29.762 -0.421 0.000 1.386 177 H HN 0.523 nan 8.280 nan 0.000 0.551 178 I N 0.381 120.704 120.570 -0.411 0.000 2.400 178 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 178 I C 2.770 178.945 176.117 0.097 0.000 1.109 178 I CA 0.913 62.149 61.300 -0.106 0.000 1.425 178 I CB -0.239 37.682 38.000 -0.132 0.000 1.094 178 I HN 0.232 nan 8.210 nan 0.000 0.425 179 S N 0.788 116.550 115.700 0.104 0.000 2.359 179 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 179 S C 1.886 176.612 174.600 0.210 0.000 1.035 179 S CA 1.728 60.032 58.200 0.172 0.000 1.018 179 S CB -0.243 63.075 63.200 0.195 0.000 0.876 179 S HN 0.396 nan 8.310 nan 0.000 0.448 180 E N 0.009 120.356 120.200 0.245 0.000 2.085 180 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 180 E C 2.314 179.015 176.600 0.168 0.000 0.994 180 E CA 1.373 57.917 56.400 0.240 0.000 0.801 180 E CB -0.233 29.605 29.700 0.230 0.000 0.743 180 E HN 0.452 nan 8.360 nan 0.000 0.453 181 Q N 0.715 120.610 119.800 0.158 0.000 2.096 181 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 181 Q C 1.930 177.969 176.000 0.065 0.000 0.982 181 Q CA 1.839 57.728 55.803 0.143 0.000 0.850 181 Q CB -0.320 28.544 28.738 0.211 0.000 0.901 181 Q HN 0.278 nan 8.270 nan 0.000 0.422 182 A N -0.869 122.010 122.820 0.098 0.000 1.898 182 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 182 A C 2.270 179.805 177.584 -0.081 0.000 1.181 182 A CA 1.550 53.589 52.037 0.002 0.000 0.620 182 A CB -0.833 18.295 19.000 0.213 0.000 0.819 182 A HN 0.258 nan 8.150 nan 0.000 0.442 183 V N -1.306 118.637 119.914 0.048 0.000 2.332 183 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 183 V C 2.225 178.388 176.094 0.114 0.000 1.055 183 V CA 1.889 64.224 62.300 0.058 0.000 1.038 183 V CB -0.898 30.962 31.823 0.062 0.000 0.651 183 V HN 0.830 nan 8.190 nan 0.000 0.450 184 W N 0.613 121.877 121.300 -0.060 0.000 2.355 184 W HA -0.216 4.444 4.660 0.000 0.000 0.309 184 W C 2.505 178.986 176.519 -0.064 0.000 1.206 184 W CA 1.645 58.986 57.345 -0.007 0.000 1.284 184 W CB -0.150 29.278 29.460 -0.054 0.000 1.145 184 W HN 0.304 nan 8.180 nan 0.000 0.502 185 A N 0.946 123.612 122.820 -0.257 0.000 1.883 185 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 185 A C 2.097 179.419 177.584 -0.436 0.000 1.186 185 A CA 1.863 53.575 52.037 -0.541 0.000 0.624 185 A CB -1.236 16.966 19.000 -1.329 0.000 0.822 185 A HN 0.377 nan 8.150 nan 0.000 0.444 186 L N -0.853 120.157 121.223 -0.355 0.000 2.083 186 L HA -0.135 4.204 4.340 -0.000 0.000 0.209 186 L C 2.816 179.559 176.870 -0.212 0.000 1.083 186 L CA 1.069 55.786 54.840 -0.206 0.000 0.752 186 L CB -0.794 41.197 42.059 -0.113 0.000 0.899 186 L HN 0.517 nan 8.230 nan 0.000 0.433 187 G N -0.440 108.215 108.800 -0.241 0.000 2.402 187 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 187 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 187 G C 1.427 176.053 174.900 -0.457 0.000 1.162 187 G CA 0.441 45.307 45.100 -0.390 0.000 0.777 187 G HN 0.281 nan 8.290 nan 0.000 0.539 188 N N 0.554 119.041 118.700 -0.355 0.000 2.120 188 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 188 N C 2.291 177.716 175.510 -0.142 0.000 1.024 188 N CA 0.909 53.816 53.050 -0.238 0.000 0.852 188 N CB -0.129 38.169 38.487 -0.314 0.000 1.003 188 N HN 0.329 nan 8.380 nan 0.000 0.424 189 I N 1.164 121.648 120.570 -0.143 0.000 2.142 189 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 189 I C 2.335 178.463 176.117 0.018 0.000 1.078 189 I CA 1.015 62.281 61.300 -0.056 0.000 1.343 189 I CB -0.328 37.599 38.000 -0.122 0.000 1.046 189 I HN 0.044 nan 8.210 nan 0.000 0.405 190 A N 0.704 123.479 122.820 -0.075 0.000 2.019 190 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 190 A C 2.297 179.816 177.584 -0.109 0.000 1.164 190 A CA 1.675 53.675 52.037 -0.063 0.000 0.644 190 A CB -1.204 17.719 19.000 -0.128 0.000 0.805 190 A HN 0.507 nan 8.150 nan 0.000 0.449 191 G N -0.541 108.149 108.800 -0.183 0.000 2.650 191 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.214 191 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.214 191 G C 1.078 175.924 174.900 -0.089 0.000 1.136 191 G CA 1.079 46.060 45.100 -0.197 0.000 0.789 191 G HN 0.604 nan 8.290 nan 0.000 0.536 192 D N -0.116 120.280 120.400 -0.007 0.000 2.117 192 D HA 0.233 4.873 4.640 -0.000 0.000 0.197 192 D C 1.299 177.540 176.300 -0.098 0.000 0.987 192 D CA 1.641 55.645 54.000 0.006 0.000 0.829 192 D CB -0.010 40.898 40.800 0.179 0.000 0.961 192 D HN 0.399 nan 8.370 nan 0.000 0.460 193 G N -2.339 106.397 108.800 -0.107 0.000 2.322 193 G HA2 0.177 4.137 3.960 -0.000 0.000 0.295 193 G HA3 0.177 4.137 3.960 -0.000 0.000 0.295 193 G C 0.143 174.973 174.900 -0.116 0.000 1.369 193 G CA 0.154 45.165 45.100 -0.150 0.000 0.821 193 G HN -0.093 nan 8.290 nan 0.000 0.536 194 S N -0.857 114.773 115.700 -0.117 0.000 2.400 194 S HA -0.077 4.393 4.470 -0.000 0.000 0.232 194 S C 2.650 177.219 174.600 -0.050 0.000 1.025 194 S CA 2.706 60.858 58.200 -0.081 0.000 0.993 194 S CB -0.511 62.642 63.200 -0.080 0.000 0.808 194 S HN 1.490 nan 8.310 nan 0.000 0.478 195 A N 0.756 123.524 122.820 -0.087 0.000 1.855 195 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 195 A C 1.861 179.534 177.584 0.147 0.000 1.191 195 A CA 1.332 53.351 52.037 -0.030 0.000 0.613 195 A CB -0.894 18.026 19.000 -0.134 0.000 0.829 195 A HN 0.572 nan 8.150 nan 0.000 0.442 196 F N -0.017 119.915 119.950 -0.030 0.000 2.186 196 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 196 F C 2.373 178.156 175.800 -0.029 0.000 1.090 196 F CA 0.939 58.927 58.000 -0.020 0.000 1.307 196 F CB -0.870 38.113 39.000 -0.028 0.000 1.019 196 F HN 0.274 nan 8.300 nan 0.000 0.489 197 R N 0.617 121.200 120.500 0.139 0.000 2.091 197 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 197 R C 1.624 177.943 176.300 0.032 0.000 1.136 197 R CA 2.009 58.130 56.100 0.036 0.000 0.959 197 R CB -0.379 29.908 30.300 -0.022 0.000 0.856 197 R HN 0.121 nan 8.270 nan 0.000 0.437 198 D N 0.293 120.715 120.400 0.038 0.000 2.224 198 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 198 D C 1.840 178.152 176.300 0.020 0.000 0.965 198 D CA 0.609 54.620 54.000 0.018 0.000 0.852 198 D CB 0.062 40.867 40.800 0.007 0.000 0.947 198 D HN 0.156 nan 8.370 nan 0.000 0.494 199 L N 0.265 121.528 121.223 0.067 0.000 2.027 199 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 199 L C 2.502 179.441 176.870 0.114 0.000 1.074 199 L CA 0.906 55.787 54.840 0.069 0.000 0.745 199 L CB -0.753 41.393 42.059 0.146 0.000 0.898 199 L HN -0.087 nan 8.230 nan 0.000 0.433 200 V N -0.380 119.597 119.914 0.104 0.000 2.392 200 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 200 V C 2.362 178.500 176.094 0.073 0.000 1.059 200 V CA 1.798 64.155 62.300 0.094 0.000 1.051 200 V CB -0.371 31.470 31.823 0.030 0.000 0.658 200 V HN 0.336 nan 8.190 nan 0.000 0.455 201 I N -0.210 120.380 120.570 0.032 0.000 2.233 201 I HA -0.239 3.930 4.170 -0.000 0.000 0.243 201 I C 2.554 178.671 176.117 0.000 0.000 1.093 201 I CA 1.802 63.110 61.300 0.013 0.000 1.380 201 I CB -0.434 37.565 38.000 -0.002 0.000 1.067 201 I HN 0.258 nan 8.210 nan 0.000 0.413 202 K N 0.784 121.159 120.400 -0.042 0.000 2.103 202 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 202 K C 1.775 178.299 176.600 -0.127 0.000 1.048 202 K CA 1.783 58.002 56.287 -0.114 0.000 0.930 202 K CB -0.218 32.161 32.500 -0.203 0.000 0.716 202 K HN 0.423 nan 8.250 nan 0.000 0.444 203 H N -1.344 117.731 119.070 0.010 0.000 2.556 203 H HA 0.120 4.676 4.556 -0.000 0.000 0.268 203 H C 0.709 176.046 175.328 0.015 0.000 0.996 203 H CA 0.520 56.575 56.048 0.012 0.000 1.157 203 H CB 0.448 30.217 29.762 0.012 0.000 1.355 203 H HN 0.573 nan 8.280 nan 0.000 0.597 204 G N 0.120 108.978 108.800 0.096 0.000 2.149 204 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.235 204 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.235 204 G C 1.226 176.164 174.900 0.063 0.000 1.018 204 G CA 0.357 45.496 45.100 0.066 0.000 0.728 204 G HN 0.557 nan 8.290 nan 0.000 0.508 205 A N -0.261 122.598 122.820 0.065 0.000 1.933 205 A HA 0.194 4.514 4.320 -0.000 0.000 0.218 205 A C 2.395 179.998 177.584 0.032 0.000 1.175 205 A CA 1.773 53.840 52.037 0.050 0.000 0.628 205 A CB -0.281 18.745 19.000 0.042 0.000 0.814 205 A HN 0.825 nan 8.150 nan 0.000 0.444 206 I N 0.024 120.608 120.570 0.023 0.000 2.118 206 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 206 I C 2.065 178.193 176.117 0.018 0.000 1.070 206 I CA 1.774 63.082 61.300 0.015 0.000 1.327 206 I CB -0.593 37.413 38.000 0.010 0.000 1.034 206 I HN 0.256 nan 8.210 nan 0.000 0.405 207 D N 0.594 121.008 120.400 0.023 0.000 2.092 207 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 207 D C -0.280 176.037 176.300 0.029 0.000 0.994 207 D CA 1.622 55.637 54.000 0.024 0.000 0.828 207 D CB -1.714 39.101 40.800 0.026 0.000 0.963 207 D HN 0.267 nan 8.370 nan 0.000 0.450 208 P HA -0.065 nan 4.420 nan 0.000 0.217 208 P C 1.823 179.148 177.300 0.041 0.000 1.150 208 P CA 0.732 63.858 63.100 0.043 0.000 0.832 208 P CB 0.008 31.739 31.700 0.052 0.000 0.787 209 L N -1.351 119.890 121.223 0.030 0.000 2.017 209 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 209 L C 2.439 179.316 176.870 0.011 0.000 1.073 209 L CA 1.399 56.248 54.840 0.015 0.000 0.745 209 L CB -0.967 41.093 42.059 0.001 0.000 0.894 209 L HN -0.045 nan 8.230 nan 0.000 0.432 210 L N -0.626 120.605 121.223 0.014 0.000 2.131 210 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 210 L C 2.876 179.760 176.870 0.023 0.000 1.092 210 L CA 0.935 55.784 54.840 0.014 0.000 0.759 210 L CB -0.845 41.222 42.059 0.014 0.000 0.903 210 L HN 0.257 nan 8.230 nan 0.000 0.435 211 A N 0.664 123.502 122.820 0.031 0.000 1.883 211 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 211 A C 2.209 179.825 177.584 0.053 0.000 1.186 211 A CA 1.479 53.540 52.037 0.039 0.000 0.624 211 A CB -0.788 18.238 19.000 0.042 0.000 0.822 211 A HN 0.393 nan 8.150 nan 0.000 0.444 212 L N -1.038 120.224 121.223 0.065 0.000 2.349 212 L HA -0.123 4.217 4.340 -0.000 0.000 0.220 212 L C 1.757 178.687 176.870 0.101 0.000 1.130 212 L CA 0.710 55.616 54.840 0.110 0.000 0.791 212 L CB -0.375 41.753 42.059 0.115 0.000 0.918 212 L HN 0.375 nan 8.230 nan 0.000 0.444 213 L N -0.988 120.265 121.223 0.049 0.000 2.693 213 L HA 0.206 4.546 4.340 -0.000 0.000 0.235 213 L C 1.943 178.835 176.870 0.036 0.000 1.127 213 L CA -0.211 54.650 54.840 0.036 0.000 0.914 213 L CB -0.034 42.027 42.059 0.003 0.000 1.193 213 L HN 0.053 nan 8.230 nan 0.000 0.502 214 A N 0.861 123.704 122.820 0.038 0.000 2.223 214 A HA 0.224 4.544 4.320 -0.000 0.000 0.222 214 A C 0.781 178.383 177.584 0.031 0.000 1.317 214 A CA -0.030 52.025 52.037 0.030 0.000 0.985 214 A CB -1.128 17.888 19.000 0.027 0.000 0.858 214 A HN 0.160 nan 8.150 nan 0.000 0.496 215 V N -4.234 115.703 119.914 0.038 0.000 2.785 215 V HA 0.359 4.479 4.120 -0.000 0.000 0.300 215 V C -1.276 174.835 176.094 0.028 0.000 1.062 215 V CA -1.522 60.799 62.300 0.035 0.000 1.029 215 V CB 0.574 32.425 31.823 0.046 0.000 1.024 215 V HN 0.220 nan 8.190 nan 0.000 0.477 216 P HA -0.064 nan 4.420 nan 0.000 0.215 216 P C 0.060 177.374 177.300 0.023 0.000 1.157 216 P CA 1.601 64.711 63.100 0.016 0.000 0.868 216 P CB 0.066 31.773 31.700 0.012 0.000 0.788 217 D N -1.414 119.005 120.400 0.033 0.000 2.464 217 D HA 0.154 4.794 4.640 -0.000 0.000 0.243 217 D C 0.974 177.318 176.300 0.073 0.000 1.104 217 D CA -0.212 53.816 54.000 0.047 0.000 0.883 217 D CB 0.053 40.876 40.800 0.038 0.000 1.050 217 D HN -0.173 nan 8.370 nan 0.000 0.524 218 L N 1.761 123.040 121.223 0.094 0.000 2.263 218 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 218 L C 1.918 178.898 176.870 0.183 0.000 1.111 218 L CA 0.810 55.713 54.840 0.105 0.000 0.773 218 L CB -0.243 41.872 42.059 0.093 0.000 0.906 218 L HN 0.351 nan 8.230 nan 0.000 0.439 219 S N -0.981 114.855 115.700 0.226 0.000 2.474 219 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 219 S C 2.011 176.693 174.600 0.137 0.000 0.997 219 S CA 1.470 59.812 58.200 0.237 0.000 0.949 219 S CB -0.306 62.959 63.200 0.109 0.000 0.766 219 S HN 0.653 nan 8.310 nan 0.000 0.517 220 T N 0.313 114.924 114.554 0.095 0.000 3.023 220 T HA 0.176 4.526 4.350 -0.000 0.000 0.266 220 T C 0.605 175.339 174.700 0.056 0.000 1.093 220 T CA 0.200 62.334 62.100 0.057 0.000 1.129 220 T CB -0.506 68.383 68.868 0.036 0.000 0.899 220 T HN 0.196 nan 8.240 nan 0.000 0.491 221 L N 1.901 123.178 121.223 0.090 0.000 2.397 221 L HA 0.525 4.865 4.340 -0.000 0.000 0.271 221 L C 0.905 177.842 176.870 0.111 0.000 1.148 221 L CA -1.016 53.890 54.840 0.111 0.000 0.825 221 L CB 0.290 42.466 42.059 0.194 0.000 1.117 221 L HN 0.201 nan 8.230 nan 0.000 0.456 222 A N 2.014 124.886 122.820 0.087 0.000 2.520 222 A HA 0.084 4.403 4.320 -0.000 0.000 0.245 222 A C 1.331 178.989 177.584 0.123 0.000 1.072 222 A CA -0.146 51.937 52.037 0.076 0.000 0.761 222 A CB 0.191 19.209 19.000 0.030 0.000 1.004 222 A HN 1.123 nan 8.150 nan 0.000 0.499 223 C N 2.085 121.440 119.300 0.093 0.000 2.376 223 C HA -0.113 4.347 4.460 -0.000 0.000 0.275 223 C C 2.539 177.568 174.990 0.066 0.000 1.200 223 C CA 1.198 60.270 59.018 0.090 0.000 1.756 223 C CB -1.861 25.924 27.740 0.076 0.000 2.050 223 C HN 0.975 nan 8.230 nan 0.000 0.460 224 G N -0.756 108.070 108.800 0.044 0.000 2.469 224 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 224 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 224 G C 1.426 176.357 174.900 0.052 0.000 1.150 224 G CA 1.273 46.377 45.100 0.008 0.000 0.763 224 G HN 0.702 nan 8.290 nan 0.000 0.561 225 Y N 0.706 120.985 120.300 -0.035 0.000 2.114 225 Y HA -0.070 4.480 4.550 -0.000 0.000 0.284 225 Y C 2.558 178.463 175.900 0.009 0.000 1.143 225 Y CA 1.605 59.697 58.100 -0.014 0.000 1.135 225 Y CB -0.580 37.874 38.460 -0.010 0.000 0.980 225 Y HN 0.131 nan 8.280 nan 0.000 0.499 226 L N 0.766 122.005 121.223 0.028 0.000 2.042 226 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 226 L C 2.463 179.294 176.870 -0.064 0.000 1.076 226 L CA 1.820 56.606 54.840 -0.090 0.000 0.749 226 L CB -0.671 41.336 42.059 -0.087 0.000 0.893 226 L HN 0.154 nan 8.230 nan 0.000 0.432 227 R N -0.689 119.810 120.500 -0.001 0.000 2.091 227 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 227 R C 2.027 178.406 176.300 0.132 0.000 1.136 227 R CA 1.552 57.685 56.100 0.056 0.000 0.959 227 R CB -0.620 29.702 30.300 0.036 0.000 0.856 227 R HN 0.468 nan 8.270 nan 0.000 0.437 228 N N 0.776 119.534 118.700 0.097 0.000 2.166 228 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 228 N C 1.881 177.538 175.510 0.245 0.000 1.019 228 N CA 1.086 54.297 53.050 0.268 0.000 0.856 228 N CB -0.176 38.425 38.487 0.191 0.000 0.993 228 N HN 0.196 nan 8.380 nan 0.000 0.426 229 L N 0.594 121.822 121.223 0.009 0.000 2.005 229 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 229 L C 2.232 179.120 176.870 0.030 0.000 1.072 229 L CA 1.193 56.004 54.840 -0.049 0.000 0.744 229 L CB -0.851 41.080 42.059 -0.214 0.000 0.895 229 L HN 0.142 nan 8.230 nan 0.000 0.433 230 T N -1.397 113.188 114.554 0.051 0.000 2.684 230 T HA -0.277 4.073 4.350 -0.000 0.000 0.267 230 T C 1.343 176.133 174.700 0.150 0.000 1.036 230 T CA 1.664 63.812 62.100 0.080 0.000 1.148 230 T CB -0.498 68.421 68.868 0.084 0.000 0.863 230 T HN 0.480 nan 8.240 nan 0.000 0.436 231 W N 1.856 123.189 121.300 0.054 0.000 2.338 231 W HA -0.172 4.488 4.660 -0.000 0.000 0.304 231 W C 2.335 178.877 176.519 0.039 0.000 1.212 231 W CA 1.479 58.871 57.345 0.079 0.000 1.264 231 W CB -0.857 28.687 29.460 0.139 0.000 1.142 231 W HN 0.119 nan 8.180 nan 0.000 0.512 232 T N 1.244 115.800 114.554 0.003 0.000 2.737 232 T HA -0.200 4.150 4.350 -0.000 0.000 0.265 232 T C 1.960 176.537 174.700 -0.204 0.000 1.038 232 T CA 1.872 63.844 62.100 -0.214 0.000 1.144 232 T CB -0.585 68.258 68.868 -0.041 0.000 0.866 232 T HN 0.108 nan 8.240 nan 0.000 0.434 233 L N 0.881 122.050 121.223 -0.090 0.000 2.046 233 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 233 L C 2.871 179.702 176.870 -0.066 0.000 1.077 233 L CA 1.251 56.054 54.840 -0.062 0.000 0.747 233 L CB -0.689 41.358 42.059 -0.020 0.000 0.896 233 L HN 0.306 nan 8.230 nan 0.000 0.432 234 S N 0.318 115.980 115.700 -0.063 0.000 2.383 234 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 234 S C 1.780 176.339 174.600 -0.068 0.000 1.030 234 S CA 1.695 59.892 58.200 -0.005 0.000 1.002 234 S CB -0.250 62.976 63.200 0.043 0.000 0.829 234 S HN 0.437 nan 8.310 nan 0.000 0.467 235 N N 1.210 119.729 118.700 -0.302 0.000 2.381 235 N HA 0.075 4.814 4.740 -0.000 0.000 0.182 235 N C 1.391 176.782 175.510 -0.199 0.000 1.025 235 N CA 0.726 53.566 53.050 -0.350 0.000 0.888 235 N CB -0.404 37.709 38.487 -0.623 0.000 0.965 235 N HN 0.476 nan 8.380 nan 0.000 0.438 236 L N -0.850 120.291 121.223 -0.137 0.000 2.554 236 L HA 0.053 4.393 4.340 -0.000 0.000 0.226 236 L C 1.191 178.042 176.870 -0.031 0.000 1.137 236 L CA 0.204 54.998 54.840 -0.078 0.000 0.863 236 L CB 0.078 42.102 42.059 -0.059 0.000 0.985 236 L HN 0.167 nan 8.230 nan 0.000 0.451 237 C N -1.390 117.915 119.300 0.007 0.000 2.865 237 C HA 0.129 4.589 4.460 -0.000 0.000 0.280 237 C C 1.700 176.753 174.990 0.107 0.000 1.255 237 C CA -0.553 58.512 59.018 0.078 0.000 1.705 237 C CB -0.288 27.532 27.740 0.133 0.000 2.080 237 C HN 0.341 nan 8.230 nan 0.000 0.591 238 R N 2.103 122.611 120.500 0.012 0.000 2.726 238 R HA 0.179 4.519 4.340 -0.000 0.000 0.272 238 R C -0.495 175.679 176.300 -0.210 0.000 1.097 238 R CA 0.430 56.383 56.100 -0.245 0.000 1.198 238 R CB 0.256 30.326 30.300 -0.383 0.000 1.114 238 R HN 0.481 nan 8.270 nan 0.000 0.550 239 N N 0.696 119.224 118.700 -0.287 0.000 4.753 239 N HA -0.153 4.587 4.740 -0.000 0.000 0.349 239 N C -1.008 174.439 175.510 -0.105 0.000 1.769 239 N CA 0.705 53.645 53.050 -0.183 0.000 2.863 239 N CB -0.257 38.140 38.487 -0.151 0.000 0.423 239 N HN 0.726 nan 8.380 nan 0.000 0.781 240 K N 0.144 120.495 120.400 -0.083 0.000 2.553 240 K HA 0.218 4.538 4.320 -0.000 0.000 0.205 240 K C -0.476 176.098 176.600 -0.042 0.000 1.168 240 K CA -0.137 56.122 56.287 -0.047 0.000 1.043 240 K CB 0.604 33.085 32.500 -0.031 0.000 0.967 240 K HN 0.329 nan 8.250 nan 0.000 0.585 241 N N 2.898 121.566 118.700 -0.054 0.000 3.012 241 N HA 0.188 4.928 4.740 -0.000 0.000 0.270 241 N C -2.602 172.879 175.510 -0.049 0.000 1.469 241 N CA -0.691 52.331 53.050 -0.047 0.000 0.928 241 N CB 1.400 39.855 38.487 -0.052 0.000 1.219 241 N HN 0.171 nan 8.380 nan 0.000 0.492 242 P HA 0.417 nan 4.420 nan 0.000 0.284 242 P C -0.453 176.829 177.300 -0.031 0.000 1.287 242 P CA -0.433 62.649 63.100 -0.030 0.000 0.824 242 P CB 1.233 32.919 31.700 -0.022 0.000 1.180 243 A N 0.887 123.695 122.820 -0.020 0.000 2.313 243 A HA 0.491 4.811 4.320 -0.000 0.000 0.261 243 A C -2.125 175.452 177.584 -0.011 0.000 1.090 243 A CA -1.243 50.786 52.037 -0.014 0.000 0.807 243 A CB -1.561 17.440 19.000 0.002 0.000 1.055 243 A HN 0.415 nan 8.150 nan 0.000 0.492 244 P HA 0.187 nan 4.420 nan 0.000 0.267 244 P C -2.429 174.870 177.300 -0.002 0.000 1.200 244 P CA -0.473 62.623 63.100 -0.006 0.000 0.772 244 P CB -0.345 31.356 31.700 0.001 0.000 0.855 245 P HA 0.057 nan 4.420 nan 0.000 0.266 245 P C 0.954 178.255 177.300 0.001 0.000 1.195 245 P CA 0.175 63.273 63.100 -0.003 0.000 0.768 245 P CB 0.325 32.021 31.700 -0.006 0.000 0.838 246 L N 2.051 123.275 121.223 0.002 0.000 2.013 246 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 246 L C 2.116 178.989 176.870 0.005 0.000 1.073 246 L CA 1.973 56.816 54.840 0.005 0.000 0.753 246 L CB -0.832 41.230 42.059 0.004 0.000 0.890 246 L HN 0.541 nan 8.230 nan 0.000 0.432 247 D N 0.390 120.791 120.400 0.003 0.000 2.144 247 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 247 D C 1.981 178.283 176.300 0.004 0.000 0.984 247 D CA 1.464 55.465 54.000 0.003 0.000 0.834 247 D CB -0.048 40.752 40.800 0.001 0.000 0.955 247 D HN 0.324 nan 8.370 nan 0.000 0.465 248 A N 0.990 123.811 122.820 0.003 0.000 1.930 248 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 248 A C 2.666 180.253 177.584 0.006 0.000 1.175 248 A CA 1.298 53.337 52.037 0.003 0.000 0.627 248 A CB -0.733 18.267 19.000 0.000 0.000 0.815 248 A HN 0.194 nan 8.150 nan 0.000 0.443 249 V N -0.043 119.875 119.914 0.008 0.000 2.427 249 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 249 V C 2.457 178.558 176.094 0.012 0.000 1.051 249 V CA 2.190 64.497 62.300 0.013 0.000 1.048 249 V CB -0.658 31.174 31.823 0.016 0.000 0.666 249 V HN 0.710 nan 8.190 nan 0.000 0.456 250 E N -0.053 120.152 120.200 0.010 0.000 2.110 250 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 250 E C 2.281 178.886 176.600 0.009 0.000 0.988 250 E CA 1.358 57.764 56.400 0.009 0.000 0.804 250 E CB 0.006 29.710 29.700 0.007 0.000 0.745 250 E HN 0.738 nan 8.360 nan 0.000 0.458 251 Q N -0.221 119.584 119.800 0.009 0.000 2.172 251 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 251 Q C 2.141 178.147 176.000 0.010 0.000 0.964 251 Q CA 0.903 56.712 55.803 0.009 0.000 0.855 251 Q CB 0.084 28.827 28.738 0.009 0.000 0.918 251 Q HN 0.375 nan 8.270 nan 0.000 0.444 252 I N 0.440 121.016 120.570 0.010 0.000 2.584 252 I HA -0.174 3.996 4.170 -0.000 0.000 0.255 252 I C 2.029 178.154 176.117 0.013 0.000 1.145 252 I CA 0.482 61.788 61.300 0.010 0.000 1.462 252 I CB -0.092 37.913 38.000 0.008 0.000 1.102 252 I HN 0.180 nan 8.210 nan 0.000 0.433 253 L N 1.168 122.399 121.223 0.014 0.000 1.990 253 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 253 L C -0.187 176.695 176.870 0.020 0.000 1.072 253 L CA 2.095 56.945 54.840 0.016 0.000 0.755 253 L CB -2.004 40.063 42.059 0.014 0.000 0.889 253 L HN 0.179 nan 8.230 nan 0.000 0.432 254 P HA -0.163 nan 4.420 nan 0.000 0.216 254 P C 1.575 178.892 177.300 0.028 0.000 1.153 254 P CA 1.608 64.722 63.100 0.023 0.000 0.858 254 P CB -0.070 31.640 31.700 0.017 0.000 0.789 255 T N -0.752 113.816 114.554 0.023 0.000 2.867 255 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 255 T C 1.611 176.330 174.700 0.031 0.000 1.057 255 T CA 0.777 62.891 62.100 0.024 0.000 1.136 255 T CB -0.713 68.164 68.868 0.014 0.000 0.874 255 T HN -0.064 nan 8.240 nan 0.000 0.466 256 L N 1.069 122.309 121.223 0.028 0.000 2.046 256 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 256 L C 2.563 179.460 176.870 0.044 0.000 1.077 256 L CA 1.249 56.106 54.840 0.028 0.000 0.747 256 L CB -1.014 41.056 42.059 0.017 0.000 0.896 256 L HN 0.126 nan 8.230 nan 0.000 0.432 257 V N -0.541 119.406 119.914 0.055 0.000 2.287 257 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 257 V C 2.631 178.842 176.094 0.195 0.000 1.053 257 V CA 1.776 64.131 62.300 0.092 0.000 1.027 257 V CB -0.599 31.279 31.823 0.091 0.000 0.646 257 V HN 0.428 nan 8.190 nan 0.000 0.447 258 R N -0.328 120.264 120.500 0.153 0.000 2.105 258 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 258 R C 2.269 178.685 176.300 0.194 0.000 1.135 258 R CA 1.415 57.615 56.100 0.166 0.000 0.967 258 R CB -0.479 29.858 30.300 0.062 0.000 0.861 258 R HN 0.424 nan 8.270 nan 0.000 0.442 259 L N 0.600 121.894 121.223 0.119 0.000 2.131 259 L HA -0.153 4.186 4.340 -0.000 0.000 0.210 259 L C 2.093 179.034 176.870 0.118 0.000 1.092 259 L CA 0.934 55.831 54.840 0.096 0.000 0.759 259 L CB -0.307 41.777 42.059 0.042 0.000 0.903 259 L HN 0.210 nan 8.230 nan 0.000 0.435 260 L N -1.088 120.180 121.223 0.075 0.000 2.456 260 L HA -0.170 4.170 4.340 -0.000 0.000 0.224 260 L C 2.124 178.950 176.870 -0.073 0.000 1.148 260 L CA 0.534 55.362 54.840 -0.020 0.000 0.825 260 L CB -0.569 41.435 42.059 -0.091 0.000 0.937 260 L HN 0.386 nan 8.230 nan 0.000 0.450 261 H N -2.678 116.424 119.070 0.055 0.000 2.553 261 H HA 0.081 4.637 4.556 -0.000 0.000 0.265 261 H C 0.430 175.802 175.328 0.073 0.000 0.964 261 H CA -0.073 56.004 56.048 0.049 0.000 1.156 261 H CB 0.290 30.078 29.762 0.043 0.000 1.411 261 H HN 0.302 nan 8.280 nan 0.000 0.558 262 H N 1.996 121.129 119.070 0.104 0.000 2.671 262 H HA -0.027 4.529 4.556 -0.000 0.000 0.372 262 H C 1.454 176.806 175.328 0.040 0.000 1.227 262 H CA 0.285 56.374 56.048 0.068 0.000 1.426 262 H CB 0.774 30.570 29.762 0.057 0.000 1.480 262 H HN 0.256 nan 8.280 nan 0.000 0.611 263 N N 1.356 119.779 118.700 -0.461 0.000 2.236 263 N HA -0.038 4.702 4.740 -0.000 0.000 0.196 263 N C -0.637 174.801 175.510 -0.121 0.000 1.114 263 N CA -0.080 52.831 53.050 -0.232 0.000 0.859 263 N CB 0.206 38.553 38.487 -0.234 0.000 0.982 263 N HN 0.483 nan 8.380 nan 0.000 0.493 264 D N 2.557 122.967 120.400 0.017 0.000 2.339 264 D HA 0.201 4.841 4.640 -0.000 0.000 0.241 264 D C -1.231 175.143 176.300 0.123 0.000 1.183 264 D CA -2.146 51.941 54.000 0.145 0.000 0.859 264 D CB 1.752 42.743 40.800 0.318 0.000 1.067 264 D HN -0.054 nan 8.370 nan 0.000 0.484 265 P HA -0.238 nan 4.420 nan 0.000 0.217 265 P C 1.039 178.385 177.300 0.077 0.000 1.148 265 P CA 1.099 64.231 63.100 0.054 0.000 0.828 265 P CB 0.401 32.122 31.700 0.035 0.000 0.783 266 E N 0.191 120.446 120.200 0.090 0.000 2.072 266 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 266 E C 1.981 178.658 176.600 0.127 0.000 0.985 266 E CA 1.033 57.496 56.400 0.105 0.000 0.801 266 E CB -0.888 28.862 29.700 0.084 0.000 0.750 266 E HN -0.061 nan 8.360 nan 0.000 0.452 267 V N 0.767 120.755 119.914 0.124 0.000 2.358 267 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 267 V C 2.423 178.578 176.094 0.102 0.000 1.047 267 V CA 1.650 64.017 62.300 0.111 0.000 1.035 267 V CB -0.456 31.424 31.823 0.095 0.000 0.658 267 V HN 0.320 nan 8.190 nan 0.000 0.452 268 L N 0.020 121.300 121.223 0.094 0.000 2.017 268 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 268 L C 2.749 179.626 176.870 0.012 0.000 1.073 268 L CA 1.647 56.513 54.840 0.043 0.000 0.745 268 L CB -0.840 41.233 42.059 0.023 0.000 0.894 268 L HN 0.345 nan 8.230 nan 0.000 0.432 269 A N -0.348 122.499 122.820 0.045 0.000 1.883 269 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 269 A C 2.063 179.742 177.584 0.158 0.000 1.186 269 A CA 2.071 54.135 52.037 0.045 0.000 0.624 269 A CB -0.661 18.438 19.000 0.164 0.000 0.822 269 A HN 0.392 nan 8.150 nan 0.000 0.444 270 D N -0.356 120.198 120.400 0.256 0.000 2.144 270 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 270 D C 2.238 178.646 176.300 0.180 0.000 0.984 270 D CA 1.577 55.767 54.000 0.317 0.000 0.834 270 D CB -0.038 40.938 40.800 0.293 0.000 0.955 270 D HN 0.404 nan 8.370 nan 0.000 0.465 271 S N -0.097 115.655 115.700 0.085 0.000 2.368 271 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 271 S C 2.293 176.867 174.600 -0.044 0.000 1.029 271 S CA 0.473 58.688 58.200 0.025 0.000 0.988 271 S CB -0.230 62.980 63.200 0.016 0.000 0.838 271 S HN 0.374 nan 8.310 nan 0.000 0.462 272 C N 0.222 119.456 119.300 -0.109 0.000 2.429 272 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 272 C C 2.237 177.034 174.990 -0.322 0.000 1.262 272 C CA 0.153 59.029 59.018 -0.235 0.000 1.733 272 C CB -1.520 26.021 27.740 -0.332 0.000 2.010 272 C HN 0.737 nan 8.230 nan 0.000 0.483 273 W N 0.891 122.058 121.300 -0.221 0.000 2.358 273 W HA -0.133 4.527 4.660 -0.000 0.000 0.303 273 W C 2.664 178.666 176.519 -0.862 0.000 1.208 273 W CA 1.152 58.207 57.345 -0.484 0.000 1.274 273 W CB -0.503 28.779 29.460 -0.297 0.000 1.138 273 W HN 0.281 nan 8.180 nan 0.000 0.515 274 A N 0.223 122.924 122.820 -0.197 0.000 1.883 274 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 274 A C 1.826 179.341 177.584 -0.116 0.000 1.186 274 A CA 1.838 53.807 52.037 -0.114 0.000 0.624 274 A CB -0.853 18.158 19.000 0.018 0.000 0.822 274 A HN 0.186 nan 8.150 nan 0.000 0.444 275 I N 0.973 121.472 120.570 -0.118 0.000 2.315 275 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 275 I C 2.833 178.905 176.117 -0.075 0.000 1.117 275 I CA 1.937 63.193 61.300 -0.074 0.000 1.404 275 I CB -1.534 36.419 38.000 -0.078 0.000 1.071 275 I HN 0.554 nan 8.210 nan 0.000 0.419 276 S N 0.955 116.556 115.700 -0.166 0.000 2.399 276 S HA -0.207 4.263 4.470 -0.000 0.000 0.231 276 S C 2.105 176.747 174.600 0.070 0.000 1.022 276 S CA 0.997 59.148 58.200 -0.082 0.000 0.983 276 S CB -0.697 62.426 63.200 -0.127 0.000 0.803 276 S HN 0.367 nan 8.310 nan 0.000 0.480 277 Y N 1.829 122.203 120.300 0.124 0.000 2.263 277 Y HA 0.285 4.835 4.550 -0.000 0.000 0.292 277 Y C 2.286 178.217 175.900 0.053 0.000 1.130 277 Y CA -0.212 57.941 58.100 0.088 0.000 1.179 277 Y CB -0.955 37.547 38.460 0.070 0.000 0.998 277 Y HN 0.224 nan 8.280 nan 0.000 0.532 278 L N -0.335 120.994 121.223 0.177 0.000 2.201 278 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 278 L C 2.149 179.065 176.870 0.077 0.000 1.105 278 L CA 1.823 56.725 54.840 0.104 0.000 0.775 278 L CB -0.832 41.266 42.059 0.065 0.000 0.913 278 L HN 0.314 nan 8.230 nan 0.000 0.440 279 T N -5.174 109.425 114.554 0.075 0.000 3.081 279 T HA -0.041 4.309 4.350 -0.000 0.000 0.250 279 T C 0.899 175.650 174.700 0.086 0.000 1.100 279 T CA -0.161 61.977 62.100 0.063 0.000 1.038 279 T CB -0.165 68.730 68.868 0.045 0.000 0.962 279 T HN 0.020 nan 8.240 nan 0.000 0.516 280 D N 1.920 122.389 120.400 0.115 0.000 2.551 280 D HA 0.476 5.116 4.640 -0.000 0.000 0.223 280 D C 0.556 176.907 176.300 0.085 0.000 1.144 280 D CA 0.409 54.482 54.000 0.121 0.000 1.025 280 D CB -0.327 40.567 40.800 0.156 0.000 1.085 280 D HN 0.613 nan 8.370 nan 0.000 0.506 281 G N 2.266 111.106 108.800 0.068 0.000 2.356 281 G HA2 0.189 4.149 3.960 -0.000 0.000 0.281 281 G HA3 0.189 4.149 3.960 -0.000 0.000 0.281 281 G C -2.760 172.161 174.900 0.036 0.000 1.246 281 G CA -0.867 44.260 45.100 0.046 0.000 0.889 281 G HN 0.189 nan 8.290 nan 0.000 0.486 282 P HA 0.152 nan 4.420 nan 0.000 0.266 282 P C 0.693 178.003 177.300 0.016 0.000 1.186 282 P CA 0.201 63.311 63.100 0.017 0.000 0.767 282 P CB 0.324 32.031 31.700 0.012 0.000 0.820 283 N N 0.850 119.556 118.700 0.010 0.000 2.348 283 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 283 N C 1.520 177.033 175.510 0.004 0.000 1.019 283 N CA 0.472 53.525 53.050 0.005 0.000 0.880 283 N CB -0.045 38.442 38.487 -0.001 0.000 0.965 283 N HN 0.626 nan 8.380 nan 0.000 0.437 284 E N 1.291 121.494 120.200 0.006 0.000 2.106 284 E HA -0.113 4.236 4.350 -0.000 0.000 0.192 284 E C 1.840 178.445 176.600 0.008 0.000 0.984 284 E CA 0.719 57.122 56.400 0.005 0.000 0.806 284 E CB 0.227 29.930 29.700 0.005 0.000 0.750 284 E HN 0.302 nan 8.360 nan 0.000 0.458 285 R N 0.054 120.562 120.500 0.012 0.000 2.115 285 R HA -0.030 4.310 4.340 -0.000 0.000 0.226 285 R C 2.429 178.739 176.300 0.016 0.000 1.100 285 R CA 1.003 57.113 56.100 0.017 0.000 0.980 285 R CB -0.129 30.185 30.300 0.024 0.000 0.875 285 R HN 0.275 nan 8.270 nan 0.000 0.445 286 I N 0.581 121.159 120.570 0.014 0.000 2.179 286 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 286 I C 2.436 178.554 176.117 0.003 0.000 1.088 286 I CA 1.208 62.514 61.300 0.010 0.000 1.357 286 I CB -0.233 37.770 38.000 0.006 0.000 1.051 286 I HN 0.120 nan 8.210 nan 0.000 0.409 287 E N 1.178 121.379 120.200 0.001 0.000 2.097 287 E HA -0.297 4.053 4.350 -0.000 0.000 0.196 287 E C 2.186 178.787 176.600 0.001 0.000 1.000 287 E CA 1.797 58.196 56.400 -0.001 0.000 0.804 287 E CB -0.260 29.439 29.700 -0.001 0.000 0.740 287 E HN 0.358 nan 8.360 nan 0.000 0.454 288 M N -0.780 118.823 119.600 0.004 0.000 2.099 288 M HA -0.150 4.329 4.480 -0.000 0.000 0.262 288 M C 1.978 178.282 176.300 0.006 0.000 1.067 288 M CA 1.426 56.729 55.300 0.006 0.000 1.124 288 M CB -0.003 32.602 32.600 0.008 0.000 1.353 288 M HN 0.119 nan 8.290 nan 0.000 0.410 289 V N -0.275 119.643 119.914 0.007 0.000 2.332 289 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 289 V C 2.263 178.358 176.094 0.001 0.000 1.055 289 V CA 1.654 63.957 62.300 0.005 0.000 1.038 289 V CB -0.821 31.005 31.823 0.005 0.000 0.651 289 V HN 0.386 nan 8.190 nan 0.000 0.450 290 V N -0.125 119.788 119.914 -0.002 0.000 2.379 290 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 290 V C 2.437 178.530 176.094 -0.001 0.000 1.044 290 V CA 2.169 64.466 62.300 -0.005 0.000 1.036 290 V CB -0.637 31.181 31.823 -0.009 0.000 0.664 290 V HN 0.559 nan 8.190 nan 0.000 0.453 291 K N 0.142 120.542 120.400 0.000 0.000 2.152 291 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 291 K C 1.789 178.392 176.600 0.006 0.000 1.048 291 K CA 1.131 57.419 56.287 0.002 0.000 0.933 291 K CB 0.001 32.503 32.500 0.002 0.000 0.721 291 K HN 0.219 nan 8.250 nan 0.000 0.447 292 K N -0.038 120.367 120.400 0.007 0.000 2.525 292 K HA 0.017 4.336 4.320 -0.000 0.000 0.192 292 K C 0.604 177.213 176.600 0.016 0.000 1.029 292 K CA 0.794 57.088 56.287 0.012 0.000 1.029 292 K CB 0.082 32.589 32.500 0.013 0.000 0.814 292 K HN 0.482 nan 8.250 nan 0.000 0.503 293 G N 1.665 110.473 108.800 0.013 0.000 2.246 293 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.273 293 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.273 293 G C 0.764 175.674 174.900 0.018 0.000 1.055 293 G CA 0.501 45.611 45.100 0.017 0.000 0.851 293 G HN 0.255 nan 8.290 nan 0.000 0.500 294 V N -3.004 116.913 119.914 0.005 0.000 2.951 294 V HA 0.037 4.157 4.120 -0.000 0.000 0.255 294 V C 2.450 178.529 176.094 -0.026 0.000 1.088 294 V CA 1.729 64.024 62.300 -0.008 0.000 1.109 294 V CB -0.332 31.483 31.823 -0.014 0.000 0.724 294 V HN 0.402 nan 8.190 nan 0.000 0.471 295 V N 0.992 120.894 119.914 -0.021 0.000 2.231 295 V HA -0.166 3.953 4.120 -0.000 0.000 0.248 295 V C 0.621 176.695 176.094 -0.034 0.000 1.054 295 V CA 3.005 65.288 62.300 -0.028 0.000 1.015 295 V CB -2.282 29.528 31.823 -0.021 0.000 0.638 295 V HN 0.492 nan 8.190 nan 0.000 0.444 296 P HA -0.199 nan 4.420 nan 0.000 0.217 296 P C 1.742 179.006 177.300 -0.060 0.000 1.151 296 P CA 1.452 64.536 63.100 -0.027 0.000 0.849 296 P CB -0.008 31.691 31.700 -0.003 0.000 0.787 297 Q N -0.986 118.759 119.800 -0.090 0.000 2.083 297 Q HA -0.014 4.326 4.340 -0.000 0.000 0.198 297 Q C 2.083 178.004 176.000 -0.131 0.000 0.969 297 Q CA 1.216 56.919 55.803 -0.168 0.000 0.838 297 Q CB -1.120 27.468 28.738 -0.249 0.000 0.900 297 Q HN 0.195 nan 8.270 nan 0.000 0.436 298 L N -0.813 120.351 121.223 -0.099 0.000 2.083 298 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 298 L C 2.088 178.904 176.870 -0.090 0.000 1.083 298 L CA 0.779 55.561 54.840 -0.096 0.000 0.752 298 L CB -0.373 41.638 42.059 -0.080 0.000 0.899 298 L HN 0.102 nan 8.230 nan 0.000 0.433 299 V N -0.140 119.732 119.914 -0.070 0.000 2.407 299 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 299 V C 2.402 178.453 176.094 -0.071 0.000 1.055 299 V CA 1.774 64.040 62.300 -0.058 0.000 1.049 299 V CB -0.486 31.317 31.823 -0.034 0.000 0.662 299 V HN 0.429 nan 8.190 nan 0.000 0.455 300 K N -0.234 120.120 120.400 -0.077 0.000 2.097 300 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 300 K C 1.964 178.511 176.600 -0.089 0.000 1.050 300 K CA 1.145 57.385 56.287 -0.077 0.000 0.938 300 K CB -0.204 32.245 32.500 -0.085 0.000 0.718 300 K HN 0.374 nan 8.250 nan 0.000 0.442 301 L N 0.612 121.774 121.223 -0.103 0.000 2.395 301 L HA -0.092 4.248 4.340 -0.000 0.000 0.218 301 L C 2.044 178.843 176.870 -0.118 0.000 1.130 301 L CA 0.023 54.798 54.840 -0.108 0.000 0.826 301 L CB -0.211 41.777 42.059 -0.119 0.000 0.941 301 L HN 0.128 nan 8.230 nan 0.000 0.451 302 L N 0.397 121.546 121.223 -0.124 0.000 2.131 302 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 302 L C 2.136 178.913 176.870 -0.155 0.000 1.092 302 L CA 1.684 56.431 54.840 -0.154 0.000 0.759 302 L CB -0.792 41.169 42.059 -0.163 0.000 0.903 302 L HN 0.149 nan 8.230 nan 0.000 0.435 303 G N -1.572 107.156 108.800 -0.121 0.000 3.141 303 G HA2 0.317 4.277 3.960 -0.000 0.000 0.218 303 G HA3 0.317 4.277 3.960 -0.000 0.000 0.218 303 G C 0.683 175.532 174.900 -0.085 0.000 1.170 303 G CA 0.302 45.339 45.100 -0.105 0.000 0.769 303 G HN 0.539 nan 8.290 nan 0.000 0.546 304 A N 0.161 122.928 122.820 -0.087 0.000 2.492 304 A HA 0.420 4.740 4.320 -0.000 0.000 0.236 304 A C 1.827 179.375 177.584 -0.061 0.000 1.078 304 A CA 0.966 52.961 52.037 -0.070 0.000 0.773 304 A CB 0.287 19.243 19.000 -0.074 0.000 1.023 304 A HN 0.512 nan 8.150 nan 0.000 0.504 305 T N -1.450 113.077 114.554 -0.045 0.000 3.037 305 T HA 0.141 4.491 4.350 -0.000 0.000 0.252 305 T C 0.217 174.900 174.700 -0.028 0.000 1.073 305 T CA 0.701 62.780 62.100 -0.035 0.000 1.091 305 T CB -0.265 68.588 68.868 -0.026 0.000 0.935 305 T HN 0.624 nan 8.240 nan 0.000 0.488 306 E N 1.421 121.605 120.200 -0.027 0.000 2.257 306 E HA 0.364 4.714 4.350 -0.000 0.000 0.278 306 E C 0.752 177.341 176.600 -0.019 0.000 1.049 306 E CA -0.312 56.079 56.400 -0.015 0.000 0.876 306 E CB 1.286 30.981 29.700 -0.008 0.000 1.035 306 E HN 0.082 nan 8.360 nan 0.000 0.419 307 L N 6.585 127.805 121.223 -0.004 0.000 2.046 307 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 307 L C -1.014 175.863 176.870 0.011 0.000 1.077 307 L CA 1.839 56.679 54.840 -0.000 0.000 0.747 307 L CB -0.666 41.404 42.059 0.018 0.000 0.896 307 L HN 0.526 nan 8.230 nan 0.000 0.432 308 P HA -0.115 nan 4.420 nan 0.000 0.221 308 P C 1.653 178.961 177.300 0.014 0.000 1.145 308 P CA 1.487 64.641 63.100 0.089 0.000 0.795 308 P CB 0.080 31.846 31.700 0.110 0.000 0.775 309 I N -2.198 118.346 120.570 -0.045 0.000 2.685 309 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 309 I C 2.076 178.088 176.117 -0.176 0.000 1.102 309 I CA 0.554 61.785 61.300 -0.115 0.000 1.442 309 I CB -0.610 37.345 38.000 -0.076 0.000 1.194 309 I HN -0.261 nan 8.210 nan 0.000 0.448 310 V N 1.009 120.846 119.914 -0.128 0.000 2.282 310 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 310 V C 2.536 178.527 176.094 -0.172 0.000 1.057 310 V CA 2.624 64.840 62.300 -0.141 0.000 1.032 310 V CB -1.220 30.540 31.823 -0.106 0.000 0.645 310 V HN 0.464 nan 8.190 nan 0.000 0.447 311 T N 0.969 115.431 114.554 -0.154 0.000 2.597 311 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 311 T C 0.145 174.635 174.700 -0.349 0.000 1.053 311 T CA 2.380 64.384 62.100 -0.159 0.000 1.165 311 T CB -1.425 67.419 68.868 -0.040 0.000 0.863 311 T HN 0.537 nan 8.240 nan 0.000 0.427 312 P HA 0.103 nan 4.420 nan 0.000 0.220 312 P C 1.377 178.354 177.300 -0.538 0.000 1.152 312 P CA 1.201 63.667 63.100 -1.057 0.000 0.812 312 P CB -0.136 30.371 31.700 -1.989 0.000 0.792 313 A N 0.303 122.891 122.820 -0.386 0.000 1.902 313 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 313 A C 2.214 179.698 177.584 -0.167 0.000 1.181 313 A CA 1.449 53.340 52.037 -0.242 0.000 0.623 313 A CB -1.612 17.269 19.000 -0.199 0.000 0.818 313 A HN 0.175 nan 8.150 nan 0.000 0.443 314 L N -0.419 120.712 121.223 -0.153 0.000 2.056 314 L HA -0.061 4.278 4.340 -0.000 0.000 0.207 314 L C 2.332 179.214 176.870 0.020 0.000 1.078 314 L CA 2.346 57.142 54.840 -0.074 0.000 0.749 314 L CB -0.669 41.347 42.059 -0.071 0.000 0.901 314 L HN 0.355 nan 8.230 nan 0.000 0.433 315 R N 0.243 120.741 120.500 -0.002 0.000 2.096 315 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 315 R C 2.123 178.483 176.300 0.099 0.000 1.127 315 R CA 1.660 57.829 56.100 0.115 0.000 0.968 315 R CB -0.966 29.355 30.300 0.036 0.000 0.861 315 R HN 0.483 nan 8.270 nan 0.000 0.440 316 A N 0.434 123.238 122.820 -0.028 0.000 1.877 316 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 316 A C 2.340 179.922 177.584 -0.004 0.000 1.186 316 A CA 1.561 53.581 52.037 -0.027 0.000 0.620 316 A CB -0.562 18.381 19.000 -0.096 0.000 0.822 316 A HN 0.357 nan 8.150 nan 0.000 0.443 317 I N -0.452 120.108 120.570 -0.016 0.000 2.315 317 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 317 I C 2.668 178.763 176.117 -0.036 0.000 1.117 317 I CA 1.081 62.371 61.300 -0.015 0.000 1.404 317 I CB -0.661 37.342 38.000 0.005 0.000 1.071 317 I HN 0.432 nan 8.210 nan 0.000 0.419 318 G N 0.985 109.781 108.800 -0.007 0.000 2.440 318 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 318 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 318 G C 1.411 176.195 174.900 -0.193 0.000 1.154 318 G CA 0.700 45.673 45.100 -0.211 0.000 0.767 318 G HN 0.306 nan 8.290 nan 0.000 0.552 319 N N 0.682 119.450 118.700 0.115 0.000 2.166 319 N HA -0.037 4.703 4.740 -0.000 0.000 0.186 319 N C 2.237 177.759 175.510 0.021 0.000 1.019 319 N CA 0.752 53.888 53.050 0.143 0.000 0.856 319 N CB -0.256 38.328 38.487 0.162 0.000 0.993 319 N HN 0.377 nan 8.380 nan 0.000 0.426 320 I N 0.774 121.335 120.570 -0.015 0.000 2.226 320 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 320 I C 1.844 177.918 176.117 -0.072 0.000 1.100 320 I CA 0.862 62.141 61.300 -0.034 0.000 1.374 320 I CB -0.308 37.672 38.000 -0.034 0.000 1.057 320 I HN -0.010 nan 8.210 nan 0.000 0.413 321 V N -1.658 118.179 119.914 -0.128 0.000 3.510 321 V HA -0.050 4.070 4.120 -0.000 0.000 0.270 321 V C 2.018 178.005 176.094 -0.179 0.000 1.201 321 V CA 1.383 63.584 62.300 -0.165 0.000 1.166 321 V CB -1.738 29.954 31.823 -0.218 0.000 0.825 321 V HN 0.552 nan 8.190 nan 0.000 0.484 322 T N -2.588 111.880 114.554 -0.143 0.000 3.081 322 T HA 0.303 4.652 4.350 -0.000 0.000 0.255 322 T C 1.215 175.882 174.700 -0.054 0.000 1.113 322 T CA 0.582 62.624 62.100 -0.096 0.000 1.082 322 T CB -0.151 68.718 68.868 0.002 0.000 0.939 322 T HN 0.688 nan 8.240 nan 0.000 0.506 323 G N 1.949 110.717 108.800 -0.052 0.000 2.485 323 G HA2 0.425 4.385 3.960 -0.000 0.000 0.260 323 G HA3 0.425 4.385 3.960 -0.000 0.000 0.260 323 G C 0.317 175.192 174.900 -0.041 0.000 1.459 323 G CA -0.045 45.034 45.100 -0.035 0.000 1.060 323 G HN 0.571 nan 8.290 nan 0.000 0.546 324 T N -2.054 112.481 114.554 -0.032 0.000 2.748 324 T HA 0.126 4.475 4.350 -0.000 0.000 0.304 324 T C 0.813 175.488 174.700 -0.041 0.000 1.041 324 T CA 0.341 62.422 62.100 -0.032 0.000 1.033 324 T CB 0.824 69.677 68.868 -0.024 0.000 0.995 324 T HN 0.345 nan 8.240 nan 0.000 0.536 325 D N 0.912 121.288 120.400 -0.039 0.000 2.117 325 D HA -0.092 4.547 4.640 -0.000 0.000 0.197 325 D C 1.970 178.245 176.300 -0.042 0.000 0.987 325 D CA 1.396 55.369 54.000 -0.045 0.000 0.829 325 D CB -0.161 40.615 40.800 -0.039 0.000 0.961 325 D HN 0.709 nan 8.370 nan 0.000 0.460 326 E N 1.007 121.187 120.200 -0.033 0.000 2.051 326 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 326 E C 2.217 178.798 176.600 -0.031 0.000 0.991 326 E CA 0.927 57.310 56.400 -0.029 0.000 0.799 326 E CB -0.264 29.422 29.700 -0.022 0.000 0.748 326 E HN 0.380 nan 8.360 nan 0.000 0.449 327 Q N -0.291 119.490 119.800 -0.032 0.000 2.124 327 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 327 Q C 2.059 178.032 176.000 -0.045 0.000 0.977 327 Q CA 1.705 57.488 55.803 -0.033 0.000 0.850 327 Q CB -0.112 28.608 28.738 -0.030 0.000 0.901 327 Q HN 0.248 nan 8.270 nan 0.000 0.429 328 T N 0.517 115.036 114.554 -0.057 0.000 2.867 328 T HA -0.170 4.179 4.350 -0.000 0.000 0.268 328 T C 1.685 176.342 174.700 -0.072 0.000 1.057 328 T CA 1.237 63.291 62.100 -0.076 0.000 1.136 328 T CB -0.106 68.707 68.868 -0.092 0.000 0.874 328 T HN 0.155 nan 8.240 nan 0.000 0.466 329 Q N 1.269 121.034 119.800 -0.057 0.000 2.124 329 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 329 Q C 2.127 178.102 176.000 -0.043 0.000 0.977 329 Q CA 1.341 57.114 55.803 -0.050 0.000 0.850 329 Q CB -0.113 28.602 28.738 -0.038 0.000 0.901 329 Q HN 0.171 nan 8.270 nan 0.000 0.429 330 K N -0.237 120.141 120.400 -0.037 0.000 2.097 330 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 330 K C 2.011 178.592 176.600 -0.032 0.000 1.049 330 K CA 1.468 57.738 56.287 -0.029 0.000 0.933 330 K CB -0.811 31.675 32.500 -0.024 0.000 0.717 330 K HN 0.411 nan 8.250 nan 0.000 0.442 331 V N -1.537 118.351 119.914 -0.043 0.000 2.719 331 V HA -0.071 4.049 4.120 -0.000 0.000 0.252 331 V C 2.081 178.146 176.094 -0.048 0.000 1.065 331 V CA 0.958 63.234 62.300 -0.041 0.000 1.086 331 V CB -0.512 31.283 31.823 -0.047 0.000 0.700 331 V HN 0.079 nan 8.190 nan 0.000 0.467 332 I N 0.765 121.294 120.570 -0.067 0.000 2.233 332 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 332 I C 2.442 178.531 176.117 -0.046 0.000 1.093 332 I CA 1.817 63.067 61.300 -0.084 0.000 1.380 332 I CB -0.536 37.410 38.000 -0.090 0.000 1.067 332 I HN 0.263 nan 8.210 nan 0.000 0.413 333 D N 1.364 121.747 120.400 -0.028 0.000 2.178 333 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 333 D C 2.088 178.386 176.300 -0.003 0.000 0.980 333 D CA 1.415 55.410 54.000 -0.009 0.000 0.842 333 D CB -0.106 40.688 40.800 -0.009 0.000 0.948 333 D HN 0.329 nan 8.370 nan 0.000 0.472 334 A N -0.006 122.809 122.820 -0.010 0.000 2.239 334 A HA 0.293 4.613 4.320 -0.000 0.000 0.209 334 A C 1.704 179.289 177.584 0.001 0.000 1.171 334 A CA 1.191 53.224 52.037 -0.005 0.000 0.768 334 A CB -0.415 18.577 19.000 -0.013 0.000 0.790 334 A HN 0.278 nan 8.150 nan 0.000 0.478 335 G N -2.227 106.575 108.800 0.004 0.000 2.149 335 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.235 335 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.235 335 G C 0.991 175.899 174.900 0.012 0.000 1.018 335 G CA 0.827 45.940 45.100 0.021 0.000 0.728 335 G HN 1.341 nan 8.290 nan 0.000 0.508 336 A N -0.273 122.550 122.820 0.004 0.000 1.933 336 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 336 A C 2.464 180.147 177.584 0.166 0.000 1.175 336 A CA 1.764 53.850 52.037 0.081 0.000 0.628 336 A CB -0.292 18.773 19.000 0.107 0.000 0.814 336 A HN 0.880 nan 8.150 nan 0.000 0.444 337 L N -0.731 120.457 121.223 -0.058 0.000 2.127 337 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 337 L C 2.915 179.797 176.870 0.019 0.000 1.089 337 L CA 0.983 55.722 54.840 -0.168 0.000 0.757 337 L CB -0.569 41.035 42.059 -0.759 0.000 0.899 337 L HN 0.455 nan 8.230 nan 0.000 0.434 338 A N -0.557 122.303 122.820 0.067 0.000 2.121 338 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 338 A C 2.110 179.734 177.584 0.066 0.000 1.154 338 A CA 1.209 53.349 52.037 0.171 0.000 0.679 338 A CB -0.380 18.718 19.000 0.165 0.000 0.795 338 A HN 0.277 nan 8.150 nan 0.000 0.458 339 V N -2.154 117.784 119.914 0.039 0.000 3.174 339 V HA -0.008 4.112 4.120 -0.000 0.000 0.254 339 V C 1.868 177.834 176.094 -0.213 0.000 1.120 339 V CA 0.598 62.837 62.300 -0.102 0.000 1.114 339 V CB -0.940 30.774 31.823 -0.182 0.000 0.756 339 V HN 0.498 nan 8.190 nan 0.000 0.467 340 F N 0.732 120.598 119.950 -0.140 0.000 2.269 340 F HA -0.009 4.517 4.527 -0.000 0.000 0.301 340 F C -0.067 175.555 175.800 -0.296 0.000 1.082 340 F CA 1.198 59.097 58.000 -0.168 0.000 1.360 340 F CB -1.817 37.102 39.000 -0.134 0.000 1.041 340 F HN 0.300 nan 8.300 nan 0.000 0.512 341 P HA -0.171 nan 4.420 nan 0.000 0.218 341 P C 1.867 178.882 177.300 -0.474 0.000 1.148 341 P CA 1.844 64.430 63.100 -0.856 0.000 0.822 341 P CB 0.004 31.242 31.700 -0.771 0.000 0.784 342 S N -1.377 114.166 115.700 -0.261 0.000 2.388 342 S HA -0.012 4.458 4.470 -0.000 0.000 0.223 342 S C 1.797 176.309 174.600 -0.146 0.000 1.034 342 S CA 0.581 58.686 58.200 -0.158 0.000 0.963 342 S CB -0.942 62.179 63.200 -0.131 0.000 0.827 342 S HN -0.041 nan 8.310 nan 0.000 0.481 343 L N 1.071 122.164 121.223 -0.216 0.000 2.056 343 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 343 L C 2.265 179.085 176.870 -0.082 0.000 1.078 343 L CA 1.072 55.787 54.840 -0.208 0.000 0.749 343 L CB -0.495 41.298 42.059 -0.442 0.000 0.901 343 L HN 0.336 nan 8.230 nan 0.000 0.433 344 L N -0.559 120.640 121.223 -0.039 0.000 2.465 344 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 344 L C 1.986 178.910 176.870 0.090 0.000 1.145 344 L CA 1.218 56.100 54.840 0.069 0.000 0.834 344 L CB -0.600 41.541 42.059 0.136 0.000 0.944 344 L HN 0.419 nan 8.230 nan 0.000 0.451 345 T N -5.404 109.179 114.554 0.049 0.000 3.129 345 T HA 0.081 4.431 4.350 -0.000 0.000 0.267 345 T C 0.480 175.205 174.700 0.041 0.000 1.018 345 T CA -0.485 61.665 62.100 0.084 0.000 0.903 345 T CB -0.497 68.444 68.868 0.122 0.000 1.067 345 T HN 0.110 nan 8.240 nan 0.000 0.549 346 N N 2.502 121.209 118.700 0.013 0.000 2.468 346 N HA 0.197 4.937 4.740 -0.000 0.000 0.265 346 N C -1.690 173.832 175.510 0.019 0.000 1.199 346 N CA -1.534 51.517 53.050 0.001 0.000 0.928 346 N CB 1.070 39.543 38.487 -0.023 0.000 1.059 346 N HN -0.105 nan 8.380 nan 0.000 0.467 347 P HA -0.199 nan 4.420 nan 0.000 0.217 347 P C -0.504 176.812 177.300 0.026 0.000 1.148 347 P CA 1.271 64.385 63.100 0.024 0.000 0.828 347 P CB 0.168 31.880 31.700 0.019 0.000 0.783 348 K N 0.463 120.875 120.400 0.020 0.000 2.336 348 K HA 0.034 4.354 4.320 -0.000 0.000 0.290 348 K C 1.118 177.736 176.600 0.030 0.000 1.067 348 K CA 0.375 56.676 56.287 0.024 0.000 0.962 348 K CB -0.507 32.003 32.500 0.017 0.000 1.008 348 K HN 0.072 nan 8.250 nan 0.000 0.467 349 T N 1.346 115.922 114.554 0.036 0.000 2.849 349 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 349 T C 1.347 176.074 174.700 0.045 0.000 1.066 349 T CA 1.161 63.287 62.100 0.044 0.000 1.130 349 T CB -0.214 68.681 68.868 0.046 0.000 0.864 349 T HN 0.511 nan 8.240 nan 0.000 0.481 350 N N 1.375 120.099 118.700 0.040 0.000 2.120 350 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 350 N C 1.842 177.379 175.510 0.046 0.000 1.024 350 N CA 1.106 54.181 53.050 0.042 0.000 0.852 350 N CB -0.295 38.217 38.487 0.043 0.000 1.003 350 N HN 0.350 nan 8.380 nan 0.000 0.424 351 I N 1.531 122.122 120.570 0.035 0.000 2.202 351 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 351 I C 2.436 178.577 176.117 0.040 0.000 1.091 351 I CA 1.022 62.335 61.300 0.022 0.000 1.368 351 I CB -1.156 36.838 38.000 -0.009 0.000 1.058 351 I HN 0.256 nan 8.210 nan 0.000 0.410 352 Q N 0.798 120.625 119.800 0.046 0.000 2.096 352 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 352 Q C 2.370 178.430 176.000 0.101 0.000 0.982 352 Q CA 1.766 57.610 55.803 0.068 0.000 0.850 352 Q CB -0.003 28.774 28.738 0.065 0.000 0.901 352 Q HN 0.221 nan 8.270 nan 0.000 0.422 353 K N 0.477 120.932 120.400 0.093 0.000 2.002 353 K HA -0.186 4.133 4.320 -0.000 0.000 0.209 353 K C 1.746 178.451 176.600 0.175 0.000 1.048 353 K CA 1.548 57.899 56.287 0.108 0.000 0.930 353 K CB -0.078 32.460 32.500 0.064 0.000 0.714 353 K HN 0.257 nan 8.250 nan 0.000 0.438 354 E N 0.183 120.484 120.200 0.169 0.000 2.153 354 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 354 E C 1.881 178.695 176.600 0.357 0.000 0.988 354 E CA 1.056 57.631 56.400 0.292 0.000 0.811 354 E CB -0.063 29.757 29.700 0.201 0.000 0.746 354 E HN 0.411 nan 8.360 nan 0.000 0.466 355 A N 0.724 123.681 122.820 0.229 0.000 1.929 355 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 355 A C 2.384 180.162 177.584 0.323 0.000 1.176 355 A CA 1.609 53.809 52.037 0.272 0.000 0.628 355 A CB -0.547 18.524 19.000 0.118 0.000 0.816 355 A HN 0.171 nan 8.150 nan 0.000 0.444 356 T N -1.472 113.229 114.554 0.245 0.000 2.857 356 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 356 T C 1.496 176.316 174.700 0.201 0.000 1.048 356 T CA 1.339 63.559 62.100 0.200 0.000 1.139 356 T CB -0.337 68.634 68.868 0.171 0.000 0.874 356 T HN 0.779 nan 8.240 nan 0.000 0.455 357 W N 2.364 123.704 121.300 0.067 0.000 2.335 357 W HA -0.181 4.479 4.660 -0.000 0.000 0.311 357 W C 2.073 178.607 176.519 0.025 0.000 1.213 357 W CA 1.579 58.941 57.345 0.029 0.000 1.274 357 W CB -1.031 28.435 29.460 0.009 0.000 1.148 357 W HN 0.086 nan 8.180 nan 0.000 0.498 358 T N 1.525 115.957 114.554 -0.204 0.000 2.720 358 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 358 T C 1.869 176.361 174.700 -0.348 0.000 1.037 358 T CA 2.070 63.905 62.100 -0.443 0.000 1.144 358 T CB -0.421 68.432 68.868 -0.024 0.000 0.864 358 T HN 0.048 nan 8.240 nan 0.000 0.444 359 M N 1.807 121.289 119.600 -0.197 0.000 2.159 359 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 359 M C 2.760 178.967 176.300 -0.154 0.000 1.063 359 M CA 1.478 56.632 55.300 -0.244 0.000 1.110 359 M CB -1.530 30.997 32.600 -0.123 0.000 1.374 359 M HN 0.436 nan 8.290 nan 0.000 0.411 360 S N 0.483 116.124 115.700 -0.098 0.000 2.399 360 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 360 S C 1.644 176.179 174.600 -0.108 0.000 1.022 360 S CA 1.300 59.484 58.200 -0.026 0.000 0.983 360 S CB -0.473 62.767 63.200 0.067 0.000 0.803 360 S HN 0.448 nan 8.310 nan 0.000 0.480 361 N N 1.281 119.824 118.700 -0.262 0.000 2.409 361 N HA 0.210 4.950 4.740 -0.000 0.000 0.179 361 N C 1.594 176.984 175.510 -0.201 0.000 1.032 361 N CA 0.957 53.850 53.050 -0.262 0.000 0.898 361 N CB -0.272 37.966 38.487 -0.415 0.000 0.971 361 N HN 0.529 nan 8.380 nan 0.000 0.441 362 I N 0.550 120.992 120.570 -0.214 0.000 2.480 362 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 362 I C 1.945 177.994 176.117 -0.113 0.000 1.124 362 I CA 1.014 62.202 61.300 -0.187 0.000 1.444 362 I CB -0.323 37.518 38.000 -0.264 0.000 1.098 362 I HN 0.117 nan 8.210 nan 0.000 0.428 363 T N -1.042 113.472 114.554 -0.065 0.000 3.113 363 T HA 0.103 4.453 4.350 -0.000 0.000 0.263 363 T C 1.598 176.302 174.700 0.006 0.000 1.143 363 T CA 0.683 62.789 62.100 0.010 0.000 1.090 363 T CB -0.108 68.838 68.868 0.131 0.000 0.922 363 T HN 0.293 nan 8.240 nan 0.000 0.521 364 A N 0.812 123.622 122.820 -0.018 0.000 2.238 364 A HA 0.616 4.936 4.320 -0.000 0.000 0.208 364 A C 1.531 179.097 177.584 -0.031 0.000 1.177 364 A CA 0.252 52.285 52.037 -0.006 0.000 0.804 364 A CB -0.695 18.292 19.000 -0.021 0.000 0.823 364 A HN 0.612 nan 8.150 nan 0.000 0.482 365 G N -0.414 108.354 108.800 -0.053 0.000 2.630 365 G HA2 0.428 4.388 3.960 -0.000 0.000 0.223 365 G HA3 0.428 4.388 3.960 -0.000 0.000 0.223 365 G C 0.082 174.947 174.900 -0.058 0.000 1.434 365 G CA -0.919 44.146 45.100 -0.058 0.000 1.057 365 G HN 0.437 nan 8.290 nan 0.000 0.570 366 R N -0.123 120.341 120.500 -0.060 0.000 2.679 366 R HA 0.127 4.467 4.340 -0.000 0.000 0.269 366 R C 1.742 177.995 176.300 -0.078 0.000 1.076 366 R CA -0.166 55.898 56.100 -0.060 0.000 1.160 366 R CB 0.685 30.956 30.300 -0.050 0.000 1.054 366 R HN 0.575 nan 8.270 nan 0.000 0.507 367 Q N 1.398 121.150 119.800 -0.080 0.000 2.112 367 Q HA -0.233 4.106 4.340 -0.000 0.000 0.206 367 Q C 1.448 177.393 176.000 -0.091 0.000 0.987 367 Q CA 1.989 57.731 55.803 -0.103 0.000 0.858 367 Q CB -0.109 28.577 28.738 -0.087 0.000 0.905 367 Q HN 0.716 nan 8.270 nan 0.000 0.420 368 D N 0.313 120.673 120.400 -0.066 0.000 2.218 368 D HA -0.209 4.430 4.640 -0.000 0.000 0.204 368 D C 1.553 177.823 176.300 -0.051 0.000 0.976 368 D CA 1.062 55.031 54.000 -0.052 0.000 0.853 368 D CB -0.131 40.645 40.800 -0.039 0.000 0.939 368 D HN 0.386 nan 8.370 nan 0.000 0.481 369 Q N 0.114 119.876 119.800 -0.063 0.000 2.096 369 Q HA 0.062 4.402 4.340 -0.000 0.000 0.197 369 Q C 2.702 178.660 176.000 -0.071 0.000 0.964 369 Q CA 0.545 56.308 55.803 -0.067 0.000 0.838 369 Q CB 0.133 28.825 28.738 -0.077 0.000 0.906 369 Q HN 0.332 nan 8.270 nan 0.000 0.444 370 I N 0.896 121.408 120.570 -0.096 0.000 2.264 370 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 370 I C 2.509 178.587 176.117 -0.065 0.000 1.111 370 I CA 1.019 62.247 61.300 -0.120 0.000 1.382 370 I CB -0.139 37.685 38.000 -0.293 0.000 1.060 370 I HN 0.213 nan 8.210 nan 0.000 0.418 371 Q N 1.025 120.784 119.800 -0.068 0.000 2.135 371 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 371 Q C 2.111 178.123 176.000 0.019 0.000 0.981 371 Q CA 1.800 57.584 55.803 -0.032 0.000 0.856 371 Q CB -0.177 28.536 28.738 -0.042 0.000 0.902 371 Q HN 0.502 nan 8.270 nan 0.000 0.425 372 Q N -1.153 118.662 119.800 0.025 0.000 2.172 372 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 372 Q C 2.032 178.113 176.000 0.136 0.000 0.964 372 Q CA 1.255 57.114 55.803 0.094 0.000 0.855 372 Q CB 0.167 28.930 28.738 0.041 0.000 0.918 372 Q HN 0.257 nan 8.270 nan 0.000 0.444 373 V N 0.132 120.082 119.914 0.060 0.000 2.343 373 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 373 V C 2.210 178.421 176.094 0.195 0.000 1.051 373 V CA 1.367 63.717 62.300 0.083 0.000 1.036 373 V CB -0.431 31.445 31.823 0.088 0.000 0.654 373 V HN 0.173 nan 8.190 nan 0.000 0.451 374 V N 0.686 120.718 119.914 0.197 0.000 2.237 374 V HA -0.318 3.802 4.120 -0.000 0.000 0.245 374 V C 2.094 178.255 176.094 0.112 0.000 1.046 374 V CA 2.630 65.049 62.300 0.199 0.000 1.007 374 V CB -1.080 30.791 31.823 0.081 0.000 0.638 374 V HN 0.635 nan 8.190 nan 0.000 0.445 375 N N -0.629 118.115 118.700 0.075 0.000 2.192 375 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 375 N C 1.439 176.956 175.510 0.012 0.000 1.013 375 N CA 1.348 54.410 53.050 0.021 0.000 0.863 375 N CB -0.204 38.291 38.487 0.013 0.000 0.990 375 N HN 0.597 nan 8.380 nan 0.000 0.430 376 H N -0.746 118.358 119.070 0.057 0.000 2.536 376 H HA 0.211 4.767 4.556 -0.000 0.000 0.276 376 H C 1.126 176.539 175.328 0.141 0.000 1.019 376 H CA 0.394 56.488 56.048 0.076 0.000 1.159 376 H CB -0.009 29.788 29.762 0.057 0.000 1.373 376 H HN 0.244 nan 8.280 nan 0.000 0.584 377 G N 0.708 109.659 108.800 0.251 0.000 2.225 377 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.267 377 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.267 377 G C 0.920 176.096 174.900 0.460 0.000 1.024 377 G CA 0.656 45.946 45.100 0.316 0.000 0.784 377 G HN 0.479 nan 8.290 nan 0.000 0.507 378 L N -0.719 120.741 121.223 0.395 0.000 2.341 378 L HA 0.035 4.375 4.340 -0.000 0.000 0.214 378 L C 2.828 179.904 176.870 0.344 0.000 1.115 378 L CA 0.606 55.699 54.840 0.422 0.000 0.820 378 L CB -0.301 41.888 42.059 0.218 0.000 0.944 378 L HN 0.233 nan 8.230 nan 0.000 0.452 379 V N 0.693 120.759 119.914 0.254 0.000 2.332 379 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 379 V C -0.144 175.935 176.094 -0.024 0.000 1.055 379 V CA 2.055 64.397 62.300 0.071 0.000 1.038 379 V CB -1.493 30.329 31.823 -0.001 0.000 0.651 379 V HN 0.334 nan 8.190 nan 0.000 0.450 380 P HA -0.121 nan 4.420 nan 0.000 0.218 380 P C 1.527 178.676 177.300 -0.252 0.000 1.148 380 P CA 1.472 64.445 63.100 -0.212 0.000 0.822 380 P CB -0.118 31.402 31.700 -0.301 0.000 0.784 381 F N -1.329 118.637 119.950 0.026 0.000 2.186 381 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 381 F C 2.211 178.026 175.800 0.025 0.000 1.090 381 F CA 1.073 59.095 58.000 0.038 0.000 1.307 381 F CB -1.217 37.826 39.000 0.071 0.000 1.019 381 F HN -0.188 nan 8.300 nan 0.000 0.489 382 L N -0.903 120.418 121.223 0.165 0.000 2.056 382 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 382 L C 2.357 179.234 176.870 0.012 0.000 1.078 382 L CA 0.573 55.461 54.840 0.081 0.000 0.749 382 L CB -0.772 41.307 42.059 0.034 0.000 0.901 382 L HN -0.042 nan 8.230 nan 0.000 0.433 383 V N 0.352 120.238 119.914 -0.046 0.000 2.332 383 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 383 V C 2.632 178.701 176.094 -0.041 0.000 1.055 383 V CA 2.059 64.313 62.300 -0.076 0.000 1.038 383 V CB -1.273 30.474 31.823 -0.127 0.000 0.651 383 V HN 0.578 nan 8.190 nan 0.000 0.450 384 G N -0.475 108.305 108.800 -0.034 0.000 2.418 384 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 384 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 384 G C 1.665 176.585 174.900 0.033 0.000 1.158 384 G CA 1.206 46.300 45.100 -0.011 0.000 0.771 384 G HN 0.391 nan 8.290 nan 0.000 0.545 385 V N 0.463 120.416 119.914 0.064 0.000 2.453 385 V HA -0.068 4.052 4.120 -0.000 0.000 0.247 385 V C 2.661 178.789 176.094 0.057 0.000 1.048 385 V CA 1.424 63.769 62.300 0.075 0.000 1.049 385 V CB -0.223 31.660 31.823 0.100 0.000 0.672 385 V HN 0.341 nan 8.190 nan 0.000 0.457 386 L N -0.068 121.178 121.223 0.038 0.000 2.083 386 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 386 L C 2.430 179.321 176.870 0.035 0.000 1.083 386 L CA 2.149 57.008 54.840 0.030 0.000 0.752 386 L CB -0.439 41.622 42.059 0.003 0.000 0.899 386 L HN 0.319 nan 8.230 nan 0.000 0.433 387 S N -1.141 114.572 115.700 0.022 0.000 2.325 387 S HA -0.077 4.393 4.470 -0.000 0.000 0.214 387 S C 0.966 175.587 174.600 0.036 0.000 1.031 387 S CA 0.760 58.973 58.200 0.020 0.000 0.972 387 S CB -0.172 63.028 63.200 0.000 0.000 0.908 387 S HN 0.309 nan 8.310 nan 0.000 0.453 388 K N 1.252 121.674 120.400 0.036 0.000 2.367 388 K HA 0.613 4.933 4.320 -0.000 0.000 0.263 388 K C -1.231 175.403 176.600 0.057 0.000 1.000 388 K CA -0.209 56.104 56.287 0.044 0.000 0.891 388 K CB 0.947 33.468 32.500 0.034 0.000 1.117 388 K HN 0.356 nan 8.250 nan 0.000 0.443 389 A N 3.226 126.087 122.820 0.068 0.000 2.567 389 A HA 0.110 4.430 4.320 -0.000 0.000 0.301 389 A C -1.597 176.044 177.584 0.095 0.000 0.940 389 A CA -0.924 51.159 52.037 0.076 0.000 0.637 389 A CB 0.175 19.220 19.000 0.075 0.000 1.332 389 A HN 0.893 nan 8.150 nan 0.000 0.427 390 D N 0.122 120.579 120.400 0.093 0.000 2.478 390 D HA 0.169 4.808 4.640 -0.000 0.000 0.234 390 D C 0.839 177.233 176.300 0.157 0.000 1.154 390 D CA 0.420 54.492 54.000 0.120 0.000 0.874 390 D CB 0.157 41.014 40.800 0.094 0.000 1.198 390 D HN 0.695 nan 8.370 nan 0.000 0.455 391 F N 2.646 122.621 119.950 0.042 0.000 2.161 391 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 391 F C 1.916 177.752 175.800 0.060 0.000 1.089 391 F CA 1.447 59.475 58.000 0.046 0.000 1.282 391 F CB -0.063 38.961 39.000 0.039 0.000 1.010 391 F HN 0.374 nan 8.300 nan 0.000 0.485 392 K N -0.539 119.825 120.400 -0.059 0.000 2.097 392 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 392 K C 1.960 178.502 176.600 -0.096 0.000 1.049 392 K CA 1.858 58.068 56.287 -0.129 0.000 0.933 392 K CB -0.820 31.675 32.500 -0.008 0.000 0.717 392 K HN 0.280 nan 8.250 nan 0.000 0.442 393 T N 1.599 116.141 114.554 -0.020 0.000 2.904 393 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 393 T C 1.860 176.568 174.700 0.014 0.000 1.059 393 T CA 0.905 63.020 62.100 0.026 0.000 1.137 393 T CB 0.034 68.937 68.868 0.059 0.000 0.879 393 T HN 0.297 nan 8.240 nan 0.000 0.467 394 Q N 0.692 120.475 119.800 -0.029 0.000 2.167 394 Q HA -0.015 4.324 4.340 -0.000 0.000 0.202 394 Q C 2.262 178.214 176.000 -0.080 0.000 0.970 394 Q CA 0.985 56.776 55.803 -0.020 0.000 0.855 394 Q CB -0.073 28.694 28.738 0.047 0.000 0.911 394 Q HN 0.463 nan 8.270 nan 0.000 0.438 395 K N 0.392 120.660 120.400 -0.220 0.000 2.057 395 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 395 K C 1.946 178.617 176.600 0.118 0.000 1.050 395 K CA 0.966 57.162 56.287 -0.152 0.000 0.935 395 K CB 0.123 32.465 32.500 -0.263 0.000 0.715 395 K HN 0.102 nan 8.250 nan 0.000 0.439 396 E N 0.627 120.908 120.200 0.136 0.000 2.106 396 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 396 E C 2.041 178.777 176.600 0.226 0.000 0.984 396 E CA 1.164 57.713 56.400 0.249 0.000 0.806 396 E CB -0.214 29.612 29.700 0.210 0.000 0.750 396 E HN 0.312 nan 8.360 nan 0.000 0.458 397 A N 1.499 124.398 122.820 0.131 0.000 1.930 397 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 397 A C 2.419 180.050 177.584 0.079 0.000 1.175 397 A CA 1.857 53.953 52.037 0.098 0.000 0.627 397 A CB -0.499 18.539 19.000 0.063 0.000 0.815 397 A HN 0.257 nan 8.150 nan 0.000 0.443 398 A N -1.444 121.405 122.820 0.048 0.000 1.933 398 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 398 A C 1.980 179.551 177.584 -0.023 0.000 1.175 398 A CA 1.333 53.351 52.037 -0.031 0.000 0.628 398 A CB -0.844 18.092 19.000 -0.107 0.000 0.814 398 A HN 0.746 nan 8.150 nan 0.000 0.444 399 W N -0.350 120.961 121.300 0.019 0.000 2.381 399 W HA -0.031 4.629 4.660 -0.000 0.000 0.301 399 W C 2.789 179.327 176.519 0.032 0.000 1.205 399 W CA 1.424 58.789 57.345 0.033 0.000 1.285 399 W CB -0.125 29.366 29.460 0.052 0.000 1.133 399 W HN 0.386 nan 8.180 nan 0.000 0.521 400 A N 0.063 123.048 122.820 0.276 0.000 1.908 400 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 400 A C 1.848 179.511 177.584 0.132 0.000 1.181 400 A CA 1.778 53.916 52.037 0.167 0.000 0.627 400 A CB -0.793 18.272 19.000 0.109 0.000 0.818 400 A HN 0.172 nan 8.150 nan 0.000 0.445 401 I N -0.775 119.836 120.570 0.068 0.000 2.286 401 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 401 I C 2.614 178.769 176.117 0.063 0.000 1.104 401 I CA 2.017 63.318 61.300 0.001 0.000 1.397 401 I CB -1.771 36.189 38.000 -0.066 0.000 1.072 401 I HN 0.329 nan 8.210 nan 0.000 0.417 402 T N 1.216 115.798 114.554 0.047 0.000 2.821 402 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 402 T C 1.686 176.457 174.700 0.118 0.000 1.046 402 T CA 1.479 63.601 62.100 0.037 0.000 1.139 402 T CB -0.103 68.715 68.868 -0.083 0.000 0.871 402 T HN 0.232 nan 8.240 nan 0.000 0.454 403 N N 0.122 118.931 118.700 0.182 0.000 2.188 403 N HA -0.057 4.683 4.740 -0.000 0.000 0.184 403 N C 1.432 177.038 175.510 0.159 0.000 1.018 403 N CA 1.014 54.172 53.050 0.179 0.000 0.858 403 N CB -0.602 37.996 38.487 0.185 0.000 0.989 403 N HN 0.523 nan 8.380 nan 0.000 0.426 404 Y N 1.931 122.252 120.300 0.035 0.000 2.145 404 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 404 Y C 2.563 178.469 175.900 0.011 0.000 1.145 404 Y CA 2.146 60.257 58.100 0.018 0.000 1.148 404 Y CB -0.866 37.603 38.460 0.016 0.000 0.981 404 Y HN 0.185 nan 8.280 nan 0.000 0.507 405 T N -3.155 111.605 114.554 0.343 0.000 2.962 405 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 405 T C 2.134 176.890 174.700 0.093 0.000 1.088 405 T CA 1.299 63.524 62.100 0.208 0.000 1.127 405 T CB -0.726 68.215 68.868 0.121 0.000 0.883 405 T HN 0.322 nan 8.240 nan 0.000 0.493 406 S N 0.638 116.387 115.700 0.082 0.000 2.406 406 S HA 0.238 4.708 4.470 -0.000 0.000 0.224 406 S C 2.102 176.713 174.600 0.018 0.000 1.030 406 S CA 0.891 59.122 58.200 0.051 0.000 0.958 406 S CB -0.715 62.525 63.200 0.067 0.000 0.811 406 S HN 0.719 nan 8.310 nan 0.000 0.489 407 G N -0.113 108.682 108.800 -0.007 0.000 3.044 407 G HA2 0.452 4.412 3.960 -0.000 0.000 0.223 407 G HA3 0.452 4.412 3.960 -0.000 0.000 0.223 407 G C 0.524 175.362 174.900 -0.102 0.000 1.123 407 G CA 0.257 45.330 45.100 -0.044 0.000 0.765 407 G HN 0.612 nan 8.290 nan 0.000 0.546 408 G N 0.461 109.167 108.800 -0.157 0.000 2.537 408 G HA2 0.438 4.398 3.960 -0.000 0.000 0.273 408 G HA3 0.438 4.398 3.960 -0.000 0.000 0.273 408 G C 0.498 175.323 174.900 -0.125 0.000 1.189 408 G CA 0.405 45.358 45.100 -0.244 0.000 0.881 408 G HN 0.334 nan 8.290 nan 0.000 0.535 409 T N -2.091 112.392 114.554 -0.118 0.000 2.788 409 T HA 0.232 4.582 4.350 -0.000 0.000 0.280 409 T C 1.592 176.271 174.700 -0.034 0.000 0.984 409 T CA -0.265 61.798 62.100 -0.062 0.000 0.972 409 T CB 1.245 70.079 68.868 -0.056 0.000 1.039 409 T HN 0.165 nan 8.240 nan 0.000 0.530 410 V N 1.997 121.898 119.914 -0.021 0.000 2.287 410 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 410 V C 3.002 179.091 176.094 -0.008 0.000 1.053 410 V CA 2.188 64.481 62.300 -0.013 0.000 1.027 410 V CB -1.017 30.798 31.823 -0.014 0.000 0.646 410 V HN 0.996 nan 8.190 nan 0.000 0.447 411 E N 0.563 120.758 120.200 -0.008 0.000 2.118 411 E HA -0.307 4.043 4.350 -0.000 0.000 0.195 411 E C 2.020 178.648 176.600 0.047 0.000 0.992 411 E CA 1.585 57.986 56.400 0.002 0.000 0.804 411 E CB -0.589 29.106 29.700 -0.007 0.000 0.741 411 E HN 0.700 nan 8.360 nan 0.000 0.458 412 Q N 0.383 120.211 119.800 0.046 0.000 2.079 412 Q HA -0.010 4.329 4.340 -0.000 0.000 0.200 412 Q C 2.508 178.690 176.000 0.303 0.000 0.974 412 Q CA 1.249 57.134 55.803 0.137 0.000 0.840 412 Q CB -0.129 28.558 28.738 -0.085 0.000 0.898 412 Q HN 0.330 nan 8.270 nan 0.000 0.430 413 I N -0.157 120.521 120.570 0.180 0.000 2.252 413 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 413 I C 2.104 178.232 176.117 0.019 0.000 1.102 413 I CA 0.706 62.105 61.300 0.165 0.000 1.385 413 I CB -0.158 37.882 38.000 0.067 0.000 1.064 413 I HN 0.041 nan 8.210 nan 0.000 0.414 414 V N 0.369 120.259 119.914 -0.041 0.000 2.392 414 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 414 V C 2.312 178.215 176.094 -0.319 0.000 1.059 414 V CA 1.966 64.140 62.300 -0.211 0.000 1.051 414 V CB -0.879 30.822 31.823 -0.204 0.000 0.658 414 V HN 0.438 nan 8.190 nan 0.000 0.455 415 Y N 0.670 120.855 120.300 -0.192 0.000 2.181 415 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 415 Y C 2.189 178.057 175.900 -0.053 0.000 1.146 415 Y CA 1.645 59.689 58.100 -0.093 0.000 1.164 415 Y CB -0.428 38.053 38.460 0.035 0.000 0.982 415 Y HN 0.215 nan 8.280 nan 0.000 0.515 416 L N -0.368 120.734 121.223 -0.202 0.000 2.012 416 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 416 L C 2.332 179.027 176.870 -0.292 0.000 1.073 416 L CA 1.935 56.553 54.840 -0.369 0.000 0.748 416 L CB -1.091 40.782 42.059 -0.311 0.000 0.891 416 L HN 0.134 nan 8.230 nan 0.000 0.431 417 V N -0.541 119.250 119.914 -0.205 0.000 2.392 417 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 417 V C 2.360 178.425 176.094 -0.048 0.000 1.059 417 V CA 2.238 64.452 62.300 -0.142 0.000 1.051 417 V CB -1.020 30.719 31.823 -0.140 0.000 0.658 417 V HN 0.631 nan 8.190 nan 0.000 0.455 418 H N -1.793 117.192 119.070 -0.142 0.000 2.456 418 H HA -0.143 4.413 4.556 -0.000 0.000 0.296 418 H C 2.078 177.302 175.328 -0.173 0.000 1.079 418 H CA 1.219 57.198 56.048 -0.115 0.000 1.322 418 H CB -0.012 29.730 29.762 -0.034 0.000 1.388 418 H HN 0.423 nan 8.280 nan 0.000 0.538 419 C N 0.468 119.662 119.300 -0.176 0.000 2.576 419 C HA 0.176 4.636 4.460 -0.000 0.000 0.267 419 C C 1.641 176.535 174.990 -0.159 0.000 1.364 419 C CA 0.685 59.564 59.018 -0.233 0.000 1.723 419 C CB -0.950 26.542 27.740 -0.414 0.000 1.778 419 C HN 0.836 nan 8.230 nan 0.000 0.572 420 G N 1.001 109.733 108.800 -0.115 0.000 2.204 420 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 420 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 420 G C 0.419 175.258 174.900 -0.101 0.000 1.062 420 G CA 0.295 45.341 45.100 -0.090 0.000 0.798 420 G HN 0.432 nan 8.290 nan 0.000 0.496 421 I N 0.121 120.615 120.570 -0.126 0.000 2.617 421 I HA 0.060 4.230 4.170 -0.000 0.000 0.256 421 I C 2.429 178.490 176.117 -0.092 0.000 1.167 421 I CA 0.521 61.746 61.300 -0.126 0.000 1.469 421 I CB -0.117 37.781 38.000 -0.169 0.000 1.098 421 I HN 0.367 nan 8.210 nan 0.000 0.436 422 I N 0.620 121.139 120.570 -0.085 0.000 2.091 422 I HA -0.340 3.830 4.170 -0.000 0.000 0.239 422 I C 2.462 178.554 176.117 -0.041 0.000 1.061 422 I CA 1.748 63.008 61.300 -0.067 0.000 1.317 422 I CB -1.456 36.505 38.000 -0.065 0.000 1.031 422 I HN 0.414 nan 8.210 nan 0.000 0.401 423 E N 1.332 121.511 120.200 -0.035 0.000 2.033 423 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 423 E C -0.546 176.045 176.600 -0.016 0.000 1.011 423 E CA 2.052 58.439 56.400 -0.021 0.000 0.815 423 E CB -0.869 28.818 29.700 -0.021 0.000 0.755 423 E HN 0.290 nan 8.360 nan 0.000 0.451 424 P HA -0.146 nan 4.420 nan 0.000 0.220 424 P C 1.753 179.050 177.300 -0.005 0.000 1.148 424 P CA 0.795 63.889 63.100 -0.010 0.000 0.803 424 P CB -0.055 31.634 31.700 -0.018 0.000 0.782 425 L N -0.871 120.340 121.223 -0.021 0.000 2.056 425 L HA -0.086 4.253 4.340 -0.000 0.000 0.207 425 L C 2.566 179.434 176.870 -0.003 0.000 1.078 425 L CA 1.892 56.721 54.840 -0.020 0.000 0.749 425 L CB -1.187 40.848 42.059 -0.040 0.000 0.901 425 L HN -0.166 nan 8.230 nan 0.000 0.433 426 M N -1.104 118.495 119.600 -0.001 0.000 2.099 426 M HA -0.199 4.281 4.480 -0.000 0.000 0.262 426 M C 2.175 178.483 176.300 0.014 0.000 1.067 426 M CA 1.748 57.053 55.300 0.008 0.000 1.124 426 M CB -1.927 30.677 32.600 0.007 0.000 1.353 426 M HN 0.402 nan 8.290 nan 0.000 0.410 427 N N 0.732 119.441 118.700 0.014 0.000 2.182 427 N HA -0.172 4.568 4.740 -0.000 0.000 0.192 427 N C 1.331 176.861 175.510 0.034 0.000 1.007 427 N CA 1.065 54.127 53.050 0.019 0.000 0.873 427 N CB -0.108 38.391 38.487 0.020 0.000 0.998 427 N HN 0.359 nan 8.380 nan 0.000 0.436 428 L N 0.051 121.304 121.223 0.049 0.000 2.591 428 L HA 0.121 4.461 4.340 -0.000 0.000 0.228 428 L C 1.094 178.006 176.870 0.070 0.000 1.133 428 L CA -0.057 54.835 54.840 0.086 0.000 0.880 428 L CB 0.018 42.147 42.059 0.117 0.000 1.033 428 L HN 0.281 nan 8.230 nan 0.000 0.450 429 L N -0.227 121.021 121.223 0.042 0.000 2.627 429 L HA -0.011 4.329 4.340 -0.000 0.000 0.233 429 L C 1.620 178.520 176.870 0.050 0.000 1.144 429 L CA 0.436 55.300 54.840 0.039 0.000 0.892 429 L CB -0.099 41.975 42.059 0.025 0.000 1.039 429 L HN 0.344 nan 8.230 nan 0.000 0.442 430 S N -2.132 113.593 115.700 0.042 0.000 2.650 430 S HA 0.349 4.819 4.470 -0.000 0.000 0.240 430 S C 0.712 175.323 174.600 0.018 0.000 1.007 430 S CA -0.328 57.891 58.200 0.031 0.000 0.984 430 S CB 0.402 63.605 63.200 0.005 0.000 0.910 430 S HN 0.143 nan 8.310 nan 0.000 0.509 431 A N 2.672 125.515 122.820 0.038 0.000 2.386 431 A HA 0.465 4.784 4.320 -0.000 0.000 0.248 431 A C 1.341 178.961 177.584 0.060 0.000 1.082 431 A CA -0.262 51.780 52.037 0.008 0.000 0.789 431 A CB 0.379 19.442 19.000 0.106 0.000 1.025 431 A HN 0.580 nan 8.150 nan 0.000 0.490 432 K N 0.528 120.937 120.400 0.015 0.000 2.217 432 K HA -0.058 4.262 4.320 -0.000 0.000 0.202 432 K C -0.055 176.621 176.600 0.127 0.000 1.051 432 K CA 0.989 57.306 56.287 0.049 0.000 0.952 432 K CB -0.020 32.484 32.500 0.006 0.000 0.736 432 K HN 0.536 nan 8.250 nan 0.000 0.453 433 D N 2.087 122.598 120.400 0.185 0.000 2.348 433 D HA 0.018 4.658 4.640 -0.000 0.000 0.259 433 D C 0.079 176.484 176.300 0.175 0.000 1.296 433 D CA 0.215 54.338 54.000 0.205 0.000 0.931 433 D CB 1.242 42.211 40.800 0.282 0.000 1.067 433 D HN 0.140 nan 8.370 nan 0.000 0.503 434 T N 3.102 117.758 114.554 0.171 0.000 2.720 434 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 434 T C 1.741 176.465 174.700 0.040 0.000 1.037 434 T CA 1.274 63.456 62.100 0.136 0.000 1.144 434 T CB 0.076 69.053 68.868 0.182 0.000 0.864 434 T HN 0.297 nan 8.240 nan 0.000 0.444 435 K N 1.408 121.848 120.400 0.067 0.000 2.063 435 K HA 0.025 4.345 4.320 -0.000 0.000 0.208 435 K C 2.004 178.578 176.600 -0.044 0.000 1.048 435 K CA 1.216 57.527 56.287 0.039 0.000 0.928 435 K CB -0.820 31.749 32.500 0.116 0.000 0.713 435 K HN 0.419 nan 8.250 nan 0.000 0.442 436 I N -0.127 120.437 120.570 -0.010 0.000 2.394 436 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 436 I C 1.867 177.930 176.117 -0.090 0.000 1.136 436 I CA 1.004 62.256 61.300 -0.080 0.000 1.425 436 I CB 0.038 38.054 38.000 0.027 0.000 1.079 436 I HN 0.201 nan 8.210 nan 0.000 0.425 437 I N 0.614 121.161 120.570 -0.037 0.000 2.226 437 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 437 I C 2.484 178.537 176.117 -0.106 0.000 1.100 437 I CA 1.420 62.685 61.300 -0.059 0.000 1.374 437 I CB -0.309 37.648 38.000 -0.073 0.000 1.057 437 I HN 0.348 nan 8.210 nan 0.000 0.413 438 Q N -0.085 119.640 119.800 -0.125 0.000 2.084 438 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 438 Q C 2.376 178.278 176.000 -0.164 0.000 0.978 438 Q CA 1.430 57.159 55.803 -0.124 0.000 0.844 438 Q CB -0.334 28.346 28.738 -0.096 0.000 0.898 438 Q HN 0.371 nan 8.270 nan 0.000 0.426 439 V N 1.450 121.201 119.914 -0.271 0.000 2.295 439 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 439 V C 2.202 178.146 176.094 -0.248 0.000 1.049 439 V CA 1.705 63.758 62.300 -0.412 0.000 1.024 439 V CB -0.465 30.885 31.823 -0.788 0.000 0.648 439 V HN 0.339 nan 8.190 nan 0.000 0.447 440 I N -0.650 119.809 120.570 -0.184 0.000 2.315 440 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 440 I C 2.300 178.384 176.117 -0.056 0.000 1.117 440 I CA 1.418 62.656 61.300 -0.103 0.000 1.404 440 I CB -0.266 37.695 38.000 -0.065 0.000 1.071 440 I HN 0.267 nan 8.210 nan 0.000 0.419 441 L N 0.266 121.458 121.223 -0.053 0.000 2.093 441 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 441 L C 2.036 178.909 176.870 0.006 0.000 1.085 441 L CA 1.193 56.027 54.840 -0.010 0.000 0.755 441 L CB -0.579 41.466 42.059 -0.024 0.000 0.904 441 L HN 0.288 nan 8.230 nan 0.000 0.435 442 D N 0.030 120.412 120.400 -0.030 0.000 2.183 442 D HA -0.105 4.535 4.640 -0.000 0.000 0.203 442 D C 2.182 178.486 176.300 0.006 0.000 0.969 442 D CA 1.266 55.261 54.000 -0.008 0.000 0.842 442 D CB 0.091 40.870 40.800 -0.034 0.000 0.957 442 D HN 0.310 nan 8.370 nan 0.000 0.484 443 A N 1.069 123.877 122.820 -0.019 0.000 1.873 443 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 443 A C 2.347 179.938 177.584 0.011 0.000 1.186 443 A CA 0.748 52.780 52.037 -0.008 0.000 0.616 443 A CB -0.726 18.252 19.000 -0.037 0.000 0.823 443 A HN 0.141 nan 8.150 nan 0.000 0.442 444 I N -0.471 120.116 120.570 0.028 0.000 2.264 444 I HA -0.237 3.932 4.170 -0.000 0.000 0.248 444 I C 2.847 179.058 176.117 0.157 0.000 1.111 444 I CA 1.481 62.821 61.300 0.067 0.000 1.382 444 I CB -0.188 37.891 38.000 0.132 0.000 1.060 444 I HN 0.426 nan 8.210 nan 0.000 0.418 445 S N 1.124 116.922 115.700 0.163 0.000 2.356 445 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 445 S C 1.897 176.590 174.600 0.154 0.000 1.032 445 S CA 1.803 60.125 58.200 0.203 0.000 1.005 445 S CB -0.278 63.002 63.200 0.134 0.000 0.867 445 S HN 0.422 nan 8.310 nan 0.000 0.449 446 N N 1.555 120.307 118.700 0.087 0.000 2.166 446 N HA -0.008 4.732 4.740 -0.000 0.000 0.186 446 N C 1.789 177.319 175.510 0.033 0.000 1.019 446 N CA 1.462 54.548 53.050 0.061 0.000 0.856 446 N CB -0.570 37.946 38.487 0.049 0.000 0.993 446 N HN 0.500 nan 8.380 nan 0.000 0.426 447 I N -0.204 120.362 120.570 -0.007 0.000 2.315 447 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 447 I C 1.703 177.720 176.117 -0.167 0.000 1.117 447 I CA 0.870 62.110 61.300 -0.100 0.000 1.404 447 I CB -0.255 37.639 38.000 -0.176 0.000 1.071 447 I HN -0.068 nan 8.210 nan 0.000 0.419 448 F N 1.311 121.161 119.950 -0.166 0.000 2.234 448 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 448 F C 2.658 178.328 175.800 -0.217 0.000 1.087 448 F CA 1.399 59.185 58.000 -0.357 0.000 1.340 448 F CB -0.479 38.100 39.000 -0.703 0.000 1.031 448 F HN 0.074 nan 8.300 nan 0.000 0.500 449 Q N -0.709 119.155 119.800 0.107 0.000 2.119 449 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 449 Q C 2.461 178.486 176.000 0.043 0.000 0.972 449 Q CA 1.358 57.218 55.803 0.095 0.000 0.847 449 Q CB -0.346 28.445 28.738 0.088 0.000 0.903 449 Q HN 0.413 nan 8.270 nan 0.000 0.433 450 A N 0.754 123.578 122.820 0.007 0.000 1.930 450 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 450 A C 2.226 179.794 177.584 -0.027 0.000 1.175 450 A CA 1.410 53.439 52.037 -0.013 0.000 0.627 450 A CB -0.624 18.359 19.000 -0.028 0.000 0.815 450 A HN 0.390 nan 8.150 nan 0.000 0.443 451 A N -0.118 122.668 122.820 -0.056 0.000 2.015 451 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 451 A C 1.857 179.440 177.584 -0.001 0.000 1.163 451 A CA 1.483 53.483 52.037 -0.062 0.000 0.646 451 A CB -0.427 18.486 19.000 -0.145 0.000 0.806 451 A HN 0.647 nan 8.150 nan 0.000 0.448 452 E N -0.248 119.973 120.200 0.035 0.000 2.072 452 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 452 E C 1.919 178.543 176.600 0.040 0.000 0.985 452 E CA 1.342 57.781 56.400 0.066 0.000 0.801 452 E CB -0.126 29.637 29.700 0.105 0.000 0.750 452 E HN 0.411 nan 8.360 nan 0.000 0.452 453 K N 0.553 120.969 120.400 0.027 0.000 2.147 453 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 453 K C 1.651 178.257 176.600 0.010 0.000 1.049 453 K CA 0.834 57.132 56.287 0.017 0.000 0.936 453 K CB 0.072 32.579 32.500 0.011 0.000 0.722 453 K HN 0.107 nan 8.250 nan 0.000 0.446 454 L N -1.079 120.147 121.223 0.005 0.000 2.607 454 L HA 0.231 4.571 4.340 -0.000 0.000 0.228 454 L C 0.881 177.755 176.870 0.007 0.000 1.123 454 L CA 0.185 55.026 54.840 0.002 0.000 0.890 454 L CB -0.102 41.952 42.059 -0.009 0.000 1.103 454 L HN 0.346 nan 8.230 nan 0.000 0.468 455 G N 0.989 109.798 108.800 0.015 0.000 2.258 455 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.274 455 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.274 455 G C 0.578 175.488 174.900 0.016 0.000 1.021 455 G CA 0.414 45.526 45.100 0.020 0.000 0.798 455 G HN 0.504 nan 8.290 nan 0.000 0.507 456 E N -0.115 120.089 120.200 0.006 0.000 2.465 456 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 456 E C 2.254 178.849 176.600 -0.008 0.000 1.028 456 E CA 0.731 57.129 56.400 -0.005 0.000 0.899 456 E CB -0.142 29.546 29.700 -0.021 0.000 1.032 456 E HN 0.715 nan 8.360 nan 0.000 0.468 457 T N -0.397 114.173 114.554 0.027 0.000 2.685 457 T HA -0.242 4.107 4.350 -0.000 0.000 0.268 457 T C 1.625 176.379 174.700 0.090 0.000 1.034 457 T CA 1.304 63.455 62.100 0.085 0.000 1.149 457 T CB -0.088 68.864 68.868 0.140 0.000 0.860 457 T HN 0.136 nan 8.240 nan 0.000 0.449 458 E N 1.364 121.591 120.200 0.046 0.000 2.038 458 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 458 E C 2.446 179.060 176.600 0.023 0.000 1.000 458 E CA 1.369 57.786 56.400 0.028 0.000 0.803 458 E CB -0.193 29.520 29.700 0.021 0.000 0.750 458 E HN 0.653 nan 8.360 nan 0.000 0.448 459 K N 0.476 120.881 120.400 0.007 0.000 2.209 459 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 459 K C 2.204 178.790 176.600 -0.024 0.000 1.048 459 K CA 0.562 56.848 56.287 -0.001 0.000 0.940 459 K CB -0.129 32.368 32.500 -0.005 0.000 0.729 459 K HN 0.021 nan 8.250 nan 0.000 0.451 460 L N 1.198 122.375 121.223 -0.076 0.000 2.056 460 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 460 L C 2.036 178.869 176.870 -0.062 0.000 1.078 460 L CA 1.703 56.425 54.840 -0.198 0.000 0.749 460 L CB -0.528 41.207 42.059 -0.541 0.000 0.901 460 L HN -0.035 nan 8.230 nan 0.000 0.433 461 S N -0.207 115.545 115.700 0.086 0.000 2.370 461 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 461 S C 1.953 176.705 174.600 0.254 0.000 1.033 461 S CA 1.920 60.254 58.200 0.223 0.000 1.011 461 S CB -0.491 62.684 63.200 -0.041 0.000 0.852 461 S HN 0.494 nan 8.310 nan 0.000 0.457 462 I N 1.096 121.745 120.570 0.132 0.000 2.315 462 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 462 I C 2.385 178.556 176.117 0.090 0.000 1.117 462 I CA 1.122 62.489 61.300 0.111 0.000 1.404 462 I CB -0.367 37.672 38.000 0.064 0.000 1.071 462 I HN 0.292 nan 8.210 nan 0.000 0.419 463 M N 0.210 119.843 119.600 0.056 0.000 2.086 463 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 463 M C 2.414 178.744 176.300 0.050 0.000 1.067 463 M CA 2.000 57.316 55.300 0.028 0.000 1.116 463 M CB -0.381 32.210 32.600 -0.016 0.000 1.348 463 M HN 0.181 nan 8.290 nan 0.000 0.407 464 I N -0.096 120.531 120.570 0.095 0.000 2.179 464 I HA -0.296 3.873 4.170 -0.000 0.000 0.242 464 I C 2.547 178.734 176.117 0.117 0.000 1.088 464 I CA 1.564 62.941 61.300 0.128 0.000 1.357 464 I CB -0.525 37.639 38.000 0.274 0.000 1.051 464 I HN 0.403 nan 8.210 nan 0.000 0.409 465 E N 1.268 121.572 120.200 0.173 0.000 2.051 465 E HA -0.301 4.049 4.350 -0.000 0.000 0.192 465 E C 2.110 178.749 176.600 0.066 0.000 0.991 465 E CA 1.430 57.899 56.400 0.115 0.000 0.799 465 E CB -0.091 29.717 29.700 0.180 0.000 0.748 465 E HN 0.412 nan 8.360 nan 0.000 0.449 466 E N -0.145 120.095 120.200 0.067 0.000 2.267 466 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 466 E C 1.704 178.318 176.600 0.025 0.000 0.998 466 E CA 1.289 57.714 56.400 0.040 0.000 0.830 466 E CB -0.128 29.594 29.700 0.036 0.000 0.751 466 E HN 0.545 nan 8.360 nan 0.000 0.491 467 C N -2.082 117.233 119.300 0.024 0.000 2.780 467 C HA 0.639 5.099 4.460 -0.000 0.000 0.287 467 C C 1.514 176.509 174.990 0.008 0.000 1.288 467 C CA 0.012 59.037 59.018 0.012 0.000 1.713 467 C CB -0.530 27.214 27.740 0.007 0.000 1.955 467 C HN 0.463 nan 8.230 nan 0.000 0.613 468 G N 0.518 109.323 108.800 0.009 0.000 2.159 468 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.256 468 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.256 468 G C 1.098 175.992 174.900 -0.010 0.000 0.977 468 G CA 0.283 45.382 45.100 -0.002 0.000 0.652 468 G HN 1.049 nan 8.290 nan 0.000 0.531 469 G N 0.084 108.883 108.800 -0.001 0.000 2.421 469 G HA2 0.143 4.103 3.960 -0.000 0.000 0.217 469 G HA3 0.143 4.103 3.960 -0.000 0.000 0.217 469 G C 1.691 176.563 174.900 -0.047 0.000 1.143 469 G CA 1.516 46.614 45.100 -0.004 0.000 0.784 469 G HN 0.900 nan 8.290 nan 0.000 0.541 470 L N 1.065 122.234 121.223 -0.091 0.000 2.046 470 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 470 L C 2.000 178.760 176.870 -0.184 0.000 1.077 470 L CA 1.929 56.616 54.840 -0.255 0.000 0.747 470 L CB -0.518 41.359 42.059 -0.304 0.000 0.896 470 L HN 0.058 nan 8.230 nan 0.000 0.432 471 D N -0.268 120.074 120.400 -0.098 0.000 2.144 471 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 471 D C 2.142 178.413 176.300 -0.049 0.000 0.984 471 D CA 1.243 55.204 54.000 -0.064 0.000 0.834 471 D CB 0.028 40.807 40.800 -0.036 0.000 0.955 471 D HN 0.424 nan 8.370 nan 0.000 0.465 472 K N 0.068 120.445 120.400 -0.039 0.000 2.103 472 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 472 K C 2.283 178.875 176.600 -0.014 0.000 1.052 472 K CA 0.466 56.743 56.287 -0.015 0.000 0.945 472 K CB 0.143 32.641 32.500 -0.003 0.000 0.722 472 K HN 0.172 nan 8.250 nan 0.000 0.443 473 I N 1.150 121.693 120.570 -0.044 0.000 2.252 473 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 473 I C 2.626 178.720 176.117 -0.038 0.000 1.102 473 I CA 1.226 62.502 61.300 -0.040 0.000 1.385 473 I CB -0.224 37.726 38.000 -0.084 0.000 1.064 473 I HN 0.265 nan 8.210 nan 0.000 0.414 474 E N 1.511 121.666 120.200 -0.075 0.000 2.051 474 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 474 E C 2.268 178.870 176.600 0.003 0.000 0.991 474 E CA 1.419 57.791 56.400 -0.047 0.000 0.799 474 E CB -0.040 29.616 29.700 -0.073 0.000 0.748 474 E HN 0.466 nan 8.360 nan 0.000 0.449 475 A N 1.009 123.830 122.820 0.003 0.000 1.972 475 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 475 A C 2.128 179.748 177.584 0.059 0.000 1.169 475 A CA 0.873 52.923 52.037 0.022 0.000 0.635 475 A CB -0.558 18.449 19.000 0.013 0.000 0.810 475 A HN 0.341 nan 8.150 nan 0.000 0.446 476 L N -0.591 120.678 121.223 0.077 0.000 2.549 476 L HA -0.162 4.178 4.340 -0.000 0.000 0.229 476 L C 2.318 179.297 176.870 0.180 0.000 1.158 476 L CA 0.596 55.519 54.840 0.137 0.000 0.842 476 L CB -0.424 41.691 42.059 0.094 0.000 0.952 476 L HN 0.524 nan 8.230 nan 0.000 0.452 477 Q N -0.202 119.696 119.800 0.162 0.000 2.436 477 Q HA -0.086 4.254 4.340 -0.000 0.000 0.209 477 Q C 1.510 177.592 176.000 0.136 0.000 0.965 477 Q CA 0.690 56.657 55.803 0.274 0.000 0.910 477 Q CB 0.169 29.046 28.738 0.232 0.000 0.980 477 Q HN 0.460 nan 8.270 nan 0.000 0.491 478 R N -0.706 119.846 120.500 0.086 0.000 2.432 478 R HA 0.102 4.441 4.340 -0.000 0.000 0.260 478 R C -0.199 176.125 176.300 0.039 0.000 0.935 478 R CA -0.178 55.931 56.100 0.014 0.000 1.080 478 R CB 0.272 30.568 30.300 -0.007 0.000 1.155 478 R HN 0.216 nan 8.270 nan 0.000 0.531 479 H N 1.451 120.537 119.070 0.027 0.000 2.790 479 H HA -0.061 4.495 4.556 -0.000 0.000 0.358 479 H C 1.510 176.850 175.328 0.019 0.000 1.103 479 H CA 0.570 56.637 56.048 0.031 0.000 1.426 479 H CB 1.011 30.807 29.762 0.058 0.000 1.424 479 H HN 0.143 nan 8.280 nan 0.000 0.599 480 E N 3.729 123.883 120.200 -0.077 0.000 2.153 480 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 480 E C 0.061 176.767 176.600 0.176 0.000 0.988 480 E CA 0.554 56.968 56.400 0.022 0.000 0.811 480 E CB 0.014 29.679 29.700 -0.058 0.000 0.746 480 E HN 0.584 nan 8.360 nan 0.000 0.466 481 N N 1.568 120.533 118.700 0.442 0.000 2.411 481 N HA -0.072 4.668 4.740 -0.000 0.000 0.259 481 N C 0.586 176.217 175.510 0.202 0.000 1.103 481 N CA 0.180 53.390 53.050 0.267 0.000 0.954 481 N CB 1.328 39.940 38.487 0.207 0.000 1.085 481 N HN 0.274 nan 8.380 nan 0.000 0.485 482 E N 2.514 122.812 120.200 0.163 0.000 2.058 482 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 482 E C 1.355 178.065 176.600 0.184 0.000 0.997 482 E CA 1.209 57.740 56.400 0.219 0.000 0.801 482 E CB 0.025 29.826 29.700 0.167 0.000 0.746 482 E HN 0.676 nan 8.360 nan 0.000 0.450 483 S N -0.450 115.302 115.700 0.086 0.000 2.370 483 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 483 S C 2.038 176.629 174.600 -0.016 0.000 1.033 483 S CA 1.380 59.593 58.200 0.022 0.000 1.011 483 S CB -0.223 62.984 63.200 0.011 0.000 0.852 483 S HN 0.222 nan 8.310 nan 0.000 0.457 484 V N 1.185 121.079 119.914 -0.034 0.000 2.343 484 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 484 V C 2.149 178.242 176.094 -0.001 0.000 1.051 484 V CA 2.045 64.281 62.300 -0.106 0.000 1.036 484 V CB -1.054 30.538 31.823 -0.385 0.000 0.654 484 V HN 0.771 nan 8.190 nan 0.000 0.451 485 Y N 1.683 121.972 120.300 -0.018 0.000 2.145 485 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 485 Y C 2.399 178.300 175.900 0.002 0.000 1.145 485 Y CA 1.997 60.105 58.100 0.013 0.000 1.148 485 Y CB -0.444 38.037 38.460 0.035 0.000 0.981 485 Y HN 0.080 nan 8.280 nan 0.000 0.507 486 K N 0.723 120.842 120.400 -0.468 0.000 2.097 486 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 486 K C 2.356 178.786 176.600 -0.283 0.000 1.049 486 K CA 1.477 57.453 56.287 -0.519 0.000 0.933 486 K CB -0.836 31.508 32.500 -0.259 0.000 0.717 486 K HN 0.478 nan 8.250 nan 0.000 0.442 487 A N -0.287 122.439 122.820 -0.157 0.000 1.929 487 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 487 A C 2.198 179.744 177.584 -0.064 0.000 1.176 487 A CA 1.859 53.845 52.037 -0.085 0.000 0.628 487 A CB -0.548 18.422 19.000 -0.049 0.000 0.816 487 A HN 0.232 nan 8.150 nan 0.000 0.444 488 S N -0.341 115.318 115.700 -0.068 0.000 2.345 488 S HA -0.135 4.335 4.470 -0.000 0.000 0.220 488 S C 1.899 176.469 174.600 -0.050 0.000 1.031 488 S CA 1.396 59.581 58.200 -0.025 0.000 0.996 488 S CB -0.526 62.683 63.200 0.016 0.000 0.882 488 S HN 0.524 nan 8.310 nan 0.000 0.445 489 L N 3.263 124.406 121.223 -0.134 0.000 1.990 489 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 489 L C 2.083 178.886 176.870 -0.113 0.000 1.072 489 L CA 1.997 56.754 54.840 -0.140 0.000 0.755 489 L CB -0.976 40.895 42.059 -0.313 0.000 0.889 489 L HN 0.335 nan 8.230 nan 0.000 0.432 490 N N -0.127 118.489 118.700 -0.140 0.000 2.094 490 N HA -0.245 4.495 4.740 -0.000 0.000 0.191 490 N C 1.962 177.394 175.510 -0.130 0.000 1.023 490 N CA 2.289 55.261 53.050 -0.129 0.000 0.857 490 N CB -0.226 38.193 38.487 -0.113 0.000 1.013 490 N HN 0.528 nan 8.380 nan 0.000 0.426 491 L N 0.630 121.829 121.223 -0.041 0.000 2.083 491 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 491 L C 2.448 179.377 176.870 0.098 0.000 1.083 491 L CA 0.602 55.469 54.840 0.046 0.000 0.752 491 L CB -0.344 41.834 42.059 0.198 0.000 0.899 491 L HN 0.199 nan 8.230 nan 0.000 0.433 492 I N 0.601 121.229 120.570 0.097 0.000 2.179 492 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 492 I C 2.427 178.581 176.117 0.060 0.000 1.088 492 I CA 1.664 63.059 61.300 0.159 0.000 1.357 492 I CB -1.135 36.893 38.000 0.046 0.000 1.051 492 I HN 0.489 nan 8.210 nan 0.000 0.409 493 E N 0.802 120.966 120.200 -0.061 0.000 2.516 493 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 493 E C 1.508 177.966 176.600 -0.236 0.000 1.069 493 E CA 0.566 56.898 56.400 -0.113 0.000 0.876 493 E CB -0.007 29.632 29.700 -0.102 0.000 0.843 493 E HN 0.508 nan 8.360 nan 0.000 0.530 494 K N -0.466 119.677 120.400 -0.428 0.000 2.403 494 K HA 0.109 4.429 4.320 -0.000 0.000 0.199 494 K C 0.363 176.405 176.600 -0.931 0.000 1.199 494 K CA 0.289 56.101 56.287 -0.793 0.000 0.924 494 K CB 0.459 32.198 32.500 -1.268 0.000 1.137 494 K HN 0.092 nan 8.250 nan 0.000 0.510 495 Y N -1.237 118.791 120.300 -0.452 0.000 2.557 495 Y HA 0.301 4.851 4.550 -0.000 0.000 0.247 495 Y C 0.015 175.274 175.900 -1.068 0.000 1.164 495 Y CA -0.597 57.010 58.100 -0.821 0.000 1.218 495 Y CB 0.527 38.100 38.460 -1.478 0.000 1.210 495 Y HN -0.093 nan 8.280 nan 0.000 0.529 496 F N -1.451 118.472 119.950 -0.045 0.000 2.697 496 F HA 0.290 4.817 4.527 -0.000 0.000 0.367 496 F C 0.545 176.326 175.800 -0.032 0.000 1.300 496 F CA -0.727 57.270 58.000 -0.004 0.000 1.121 496 F CB 0.283 39.291 39.000 0.013 0.000 1.188 496 F HN -0.313 nan 8.300 nan 0.000 0.511 497 S N 0.929 116.644 115.700 0.025 0.000 2.564 497 S HA 0.672 5.142 4.470 -0.000 0.000 0.278 497 S C 0.103 174.715 174.600 0.019 0.000 1.333 497 S CA 0.222 58.422 58.200 0.000 0.000 1.048 497 S CB 0.519 63.682 63.200 -0.061 0.000 0.900 497 S HN 0.240 nan 8.310 nan 0.000 0.505 498 V N 0.000 119.925 119.914 0.019 0.000 2.409 498 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 498 V CA 0.000 62.312 62.300 0.020 0.000 1.235 498 V CB 0.000 31.835 31.823 0.021 0.000 1.184 498 V HN 0.000 nan 8.190 nan 0.000 0.556