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 1ejl_1_I DATA FIRST_RESID 72 DATA SEQUENCE GTVNWSVEDI VKGINSNNLE SQLQATQAAR KLLSREKQPP IDNIIRAGLI DATA SEQUENCE PKFVSFLGKT DCSPIQFESA WALTNIASGT SEQTKAVVDG GAIPAFISLL DATA SEQUENCE ASPHAHISEQ AVWALGNIAG DGSAFRDLVI KHGAIDPLLA LLAVPDLSTL DATA SEQUENCE ACGYLRNLTW TLSNLCRNKN PAPPLDAVEQ ILPTLVRLLH HNDPEVLADS DATA SEQUENCE CWAISYLTDG PNERIEMVVK KGVVPQLVKL LGATELPIVT PALRAIGNIV DATA SEQUENCE TGTDEQTQKV IDAGALAVFP SLLTNPKTNI QKEATWTMSN ITAGRQDQIQ DATA SEQUENCE QVVNHGLVPF LVGVLSKADF KTQKEAAWAI TNYTSGGTVE QIVYLVHCGI DATA SEQUENCE IEPLMNLLSA KDTKIIQVIL DAISNIFQAA EKLGETEKLS IMIEECGGLD DATA SEQUENCE KIEALQRHEN ESVYKASLNL IEKYFS 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 72 G HA2 0.000 nan 3.960 nan 0.000 0.244 72 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 72 G C 0.000 175.125 174.900 0.375 0.000 0.946 72 G CA 0.000 45.213 45.100 0.188 0.000 0.502 73 T N 0.103 114.754 114.554 0.162 0.000 3.176 73 T HA 0.526 4.877 4.350 0.001 0.000 0.263 73 T C 0.148 174.800 174.700 -0.081 0.000 1.021 73 T CA -0.111 61.927 62.100 -0.102 0.000 0.905 73 T CB 0.796 69.445 68.868 -0.365 0.000 1.057 73 T HN 0.241 nan 8.240 nan 0.000 0.558 74 V N 3.487 123.480 119.914 0.131 0.000 2.432 74 V HA 0.300 4.420 4.120 0.001 0.000 0.271 74 V C 0.130 176.340 176.094 0.192 0.000 1.046 74 V CA -0.663 61.694 62.300 0.097 0.000 0.945 74 V CB -0.060 31.801 31.823 0.063 0.000 0.992 74 V HN 0.680 nan 8.190 nan 0.000 0.471 75 N N 3.029 121.810 118.700 0.135 0.000 2.756 75 N HA -0.163 4.577 4.740 0.001 0.000 0.248 75 N C -0.640 175.021 175.510 0.252 0.000 1.062 75 N CA 0.517 53.653 53.050 0.144 0.000 0.696 75 N CB -0.608 37.934 38.487 0.090 0.000 0.946 75 N HN 0.665 nan 8.380 nan 0.000 0.548 76 W N 1.526 122.811 121.300 -0.025 0.000 2.161 76 W HA 0.305 4.965 4.660 0.001 0.000 0.344 76 W C 1.271 177.783 176.519 -0.011 0.000 1.262 76 W CA -0.368 56.967 57.345 -0.016 0.000 1.270 76 W CB 0.290 29.741 29.460 -0.014 0.000 1.126 76 W HN 0.141 nan 8.180 nan 0.000 0.598 77 S N -0.092 115.730 115.700 0.202 0.000 2.610 77 S HA 0.266 4.737 4.470 0.001 0.000 0.273 77 S C 0.482 175.175 174.600 0.154 0.000 1.274 77 S CA -0.862 57.408 58.200 0.118 0.000 1.023 77 S CB 1.422 64.647 63.200 0.042 0.000 0.962 77 S HN 0.294 nan 8.310 nan 0.000 0.523 78 V N 1.573 121.552 119.914 0.108 0.000 2.594 78 V HA -0.150 3.970 4.120 0.001 0.000 0.253 78 V C 2.694 178.848 176.094 0.100 0.000 1.069 78 V CA 2.226 64.589 62.300 0.106 0.000 1.082 78 V CB -1.091 30.772 31.823 0.068 0.000 0.680 78 V HN 1.051 nan 8.190 nan 0.000 0.469 79 E N -0.150 120.093 120.200 0.072 0.000 2.110 79 E HA -0.238 4.112 4.350 0.001 0.000 0.193 79 E C 1.781 178.422 176.600 0.069 0.000 0.988 79 E CA 1.387 57.817 56.400 0.050 0.000 0.804 79 E CB 0.025 29.738 29.700 0.021 0.000 0.745 79 E HN 0.623 nan 8.360 nan 0.000 0.458 80 D N 0.331 120.785 120.400 0.090 0.000 2.123 80 D HA -0.108 4.533 4.640 0.001 0.000 0.200 80 D C 2.073 178.565 176.300 0.320 0.000 0.976 80 D CA 0.733 54.791 54.000 0.097 0.000 0.831 80 D CB -0.156 40.597 40.800 -0.077 0.000 0.974 80 D HN 0.283 nan 8.370 nan 0.000 0.469 81 I N 0.795 121.615 120.570 0.416 0.000 2.208 81 I HA -0.240 3.931 4.170 0.001 0.000 0.245 81 I C 2.427 178.678 176.117 0.224 0.000 1.097 81 I CA 0.647 62.164 61.300 0.362 0.000 1.363 81 I CB -0.144 37.993 38.000 0.228 0.000 1.051 81 I HN -0.118 nan 8.210 nan 0.000 0.413 82 V N 0.566 120.570 119.914 0.149 0.000 2.295 82 V HA -0.284 3.837 4.120 0.001 0.000 0.246 82 V C 2.586 178.735 176.094 0.091 0.000 1.049 82 V CA 1.632 63.982 62.300 0.083 0.000 1.024 82 V CB -0.755 31.095 31.823 0.044 0.000 0.648 82 V HN 0.346 nan 8.190 nan 0.000 0.447 83 K N 0.836 121.296 120.400 0.099 0.000 2.034 83 K HA -0.203 4.118 4.320 0.001 0.000 0.214 83 K C 2.186 178.852 176.600 0.110 0.000 1.051 83 K CA 2.103 58.438 56.287 0.080 0.000 0.931 83 K CB -1.178 31.355 32.500 0.055 0.000 0.715 83 K HN 0.530 nan 8.250 nan 0.000 0.446 84 G N 0.536 109.448 108.800 0.185 0.000 2.408 84 G HA2 -0.162 3.798 3.960 0.001 0.000 0.217 84 G HA3 -0.162 3.798 3.960 0.001 0.000 0.217 84 G C 1.721 176.718 174.900 0.162 0.000 1.150 84 G CA 0.562 45.784 45.100 0.203 0.000 0.776 84 G HN 0.323 nan 8.290 nan 0.000 0.542 85 I N 0.473 121.147 120.570 0.174 0.000 2.676 85 I HA -0.068 4.102 4.170 0.001 0.000 0.259 85 I C 2.121 178.330 176.117 0.154 0.000 1.194 85 I CA 0.640 62.066 61.300 0.210 0.000 1.473 85 I CB -0.117 38.003 38.000 0.200 0.000 1.096 85 I HN 0.193 nan 8.210 nan 0.000 0.443 86 N N 0.088 118.846 118.700 0.096 0.000 2.422 86 N HA -0.017 4.723 4.740 0.001 0.000 0.181 86 N C 0.851 176.397 175.510 0.060 0.000 1.080 86 N CA -0.044 53.043 53.050 0.061 0.000 0.893 86 N CB 0.332 38.839 38.487 0.034 0.000 0.973 86 N HN 0.275 nan 8.380 nan 0.000 0.456 87 S N 0.151 115.893 115.700 0.071 0.000 2.606 87 S HA 0.093 4.563 4.470 0.001 0.000 0.257 87 S C 0.565 175.196 174.600 0.053 0.000 1.327 87 S CA -0.293 57.941 58.200 0.055 0.000 0.984 87 S CB 0.583 63.818 63.200 0.059 0.000 0.941 87 S HN 0.207 nan 8.310 nan 0.000 0.576 88 N N 0.092 118.815 118.700 0.038 0.000 2.280 88 N HA 0.062 4.802 4.740 0.001 0.000 0.192 88 N C -0.293 175.232 175.510 0.025 0.000 1.109 88 N CA -0.130 52.941 53.050 0.034 0.000 0.855 88 N CB 0.015 38.517 38.487 0.025 0.000 0.974 88 N HN 0.479 nan 8.380 nan 0.000 0.482 89 N N 2.295 121.009 118.700 0.023 0.000 2.415 89 N HA 0.019 4.759 4.740 0.001 0.000 0.246 89 N C 0.922 176.425 175.510 -0.011 0.000 1.078 89 N CA -0.202 52.855 53.050 0.010 0.000 0.942 89 N CB 1.110 39.608 38.487 0.018 0.000 1.140 89 N HN 0.118 nan 8.380 nan 0.000 0.501 90 L N 4.290 125.497 121.223 -0.028 0.000 2.051 90 L HA -0.180 4.160 4.340 0.001 0.000 0.214 90 L C 1.877 178.689 176.870 -0.097 0.000 1.076 90 L CA 1.926 56.720 54.840 -0.076 0.000 0.758 90 L CB -0.214 41.808 42.059 -0.062 0.000 0.890 90 L HN 0.544 nan 8.230 nan 0.000 0.433 91 E N -0.563 119.606 120.200 -0.052 0.000 2.072 91 E HA -0.136 4.214 4.350 0.001 0.000 0.191 91 E C 2.268 178.852 176.600 -0.026 0.000 0.985 91 E CA 1.371 57.746 56.400 -0.042 0.000 0.801 91 E CB -0.248 29.443 29.700 -0.015 0.000 0.750 91 E HN 0.570 nan 8.360 nan 0.000 0.452 92 S N 1.302 117.004 115.700 0.004 0.000 2.370 92 S HA -0.194 4.277 4.470 0.001 0.000 0.226 92 S C 1.951 176.573 174.600 0.037 0.000 1.033 92 S CA 1.162 59.393 58.200 0.051 0.000 1.011 92 S CB -0.171 63.068 63.200 0.064 0.000 0.852 92 S HN 0.322 nan 8.310 nan 0.000 0.457 93 Q N 0.101 119.887 119.800 -0.024 0.000 2.119 93 Q HA -0.066 4.274 4.340 0.001 0.000 0.201 93 Q C 2.257 178.157 176.000 -0.168 0.000 0.972 93 Q CA 0.972 56.732 55.803 -0.071 0.000 0.847 93 Q CB -0.328 28.299 28.738 -0.186 0.000 0.903 93 Q HN 0.371 nan 8.270 nan 0.000 0.433 94 L N 1.104 122.206 121.223 -0.202 0.000 1.994 94 L HA -0.216 4.124 4.340 0.001 0.000 0.208 94 L C 2.019 178.793 176.870 -0.161 0.000 1.071 94 L CA 1.903 56.626 54.840 -0.196 0.000 0.745 94 L CB -0.651 41.319 42.059 -0.148 0.000 0.892 94 L HN 0.158 nan 8.230 nan 0.000 0.431 95 Q N -0.683 119.046 119.800 -0.119 0.000 2.124 95 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 95 Q C 2.212 177.965 176.000 -0.411 0.000 0.977 95 Q CA 1.641 57.345 55.803 -0.165 0.000 0.850 95 Q CB -0.319 28.420 28.738 0.002 0.000 0.901 95 Q HN 0.707 nan 8.270 nan 0.000 0.429 96 A N 0.205 122.860 122.820 -0.275 0.000 1.930 96 A HA -0.139 4.181 4.320 0.001 0.000 0.217 96 A C 2.185 179.593 177.584 -0.294 0.000 1.175 96 A CA 1.662 53.475 52.037 -0.372 0.000 0.627 96 A CB -0.654 18.389 19.000 0.072 0.000 0.815 96 A HN 0.289 nan 8.150 nan 0.000 0.443 97 T N -0.501 113.976 114.554 -0.129 0.000 2.867 97 T HA -0.145 4.206 4.350 0.001 0.000 0.268 97 T C 2.012 176.543 174.700 -0.281 0.000 1.057 97 T CA 1.479 63.537 62.100 -0.070 0.000 1.136 97 T CB -0.178 68.716 68.868 0.043 0.000 0.874 97 T HN 0.649 nan 8.240 nan 0.000 0.466 98 Q N 0.416 120.020 119.800 -0.327 0.000 2.224 98 Q HA 0.002 4.342 4.340 0.001 0.000 0.203 98 Q C 2.378 178.092 176.000 -0.477 0.000 0.970 98 Q CA 1.084 56.664 55.803 -0.373 0.000 0.865 98 Q CB -0.183 28.383 28.738 -0.287 0.000 0.922 98 Q HN 0.551 nan 8.270 nan 0.000 0.445 99 A N 0.518 122.962 122.820 -0.627 0.000 1.929 99 A HA -0.010 4.311 4.320 0.001 0.000 0.216 99 A C 2.225 179.547 177.584 -0.436 0.000 1.176 99 A CA 1.308 52.901 52.037 -0.740 0.000 0.628 99 A CB -0.704 17.366 19.000 -1.550 0.000 0.816 99 A HN 0.509 nan 8.150 nan 0.000 0.444 100 A N -0.039 122.576 122.820 -0.343 0.000 1.898 100 A HA -0.158 4.163 4.320 0.001 0.000 0.216 100 A C 2.270 179.652 177.584 -0.336 0.000 1.181 100 A CA 1.632 53.541 52.037 -0.214 0.000 0.620 100 A CB -0.535 18.418 19.000 -0.079 0.000 0.819 100 A HN 0.534 nan 8.150 nan 0.000 0.442 101 R N 0.090 120.303 120.500 -0.479 0.000 2.091 101 R HA -0.163 4.177 4.340 0.001 0.000 0.238 101 R C 1.966 177.876 176.300 -0.650 0.000 1.136 101 R CA 1.941 57.641 56.100 -0.667 0.000 0.959 101 R CB -0.288 29.500 30.300 -0.852 0.000 0.856 101 R HN 0.523 nan 8.270 nan 0.000 0.437 102 K N 0.414 120.505 120.400 -0.514 0.000 2.057 102 K HA -0.075 4.245 4.320 0.001 0.000 0.206 102 K C 2.230 178.679 176.600 -0.252 0.000 1.050 102 K CA 1.172 57.226 56.287 -0.388 0.000 0.935 102 K CB -0.135 32.185 32.500 -0.299 0.000 0.715 102 K HN 0.209 nan 8.250 nan 0.000 0.439 103 L N 0.933 122.033 121.223 -0.206 0.000 2.043 103 L HA -0.217 4.124 4.340 0.001 0.000 0.212 103 L C 2.109 178.909 176.870 -0.116 0.000 1.075 103 L CA 1.296 56.067 54.840 -0.116 0.000 0.752 103 L CB -0.323 41.693 42.059 -0.073 0.000 0.891 103 L HN 0.229 nan 8.230 nan 0.000 0.432 104 L N -1.642 119.478 121.223 -0.172 0.000 2.478 104 L HA -0.058 4.283 4.340 0.001 0.000 0.223 104 L C 1.882 178.677 176.870 -0.125 0.000 1.140 104 L CA 0.304 55.058 54.840 -0.143 0.000 0.842 104 L CB -0.130 41.822 42.059 -0.178 0.000 0.953 104 L HN 0.102 nan 8.230 nan 0.000 0.452 105 S N -0.874 114.725 115.700 -0.168 0.000 2.539 105 S HA 0.105 4.575 4.470 0.001 0.000 0.221 105 S C 0.647 175.232 174.600 -0.024 0.000 0.987 105 S CA -0.518 57.638 58.200 -0.073 0.000 0.929 105 S CB 0.031 63.142 63.200 -0.148 0.000 0.832 105 S HN 0.401 nan 8.310 nan 0.000 0.492 106 R N 2.415 122.889 120.500 -0.043 0.000 2.491 106 R HA 0.134 4.474 4.340 0.001 0.000 0.283 106 R C 0.913 177.216 176.300 0.005 0.000 1.072 106 R CA 0.033 56.123 56.100 -0.016 0.000 1.048 106 R CB 0.108 30.396 30.300 -0.021 0.000 0.983 106 R HN 0.344 nan 8.270 nan 0.000 0.450 107 E N 2.498 122.708 120.200 0.017 0.000 2.333 107 E HA -0.189 4.161 4.350 0.001 0.000 0.200 107 E C -0.484 176.127 176.600 0.017 0.000 1.010 107 E CA 1.185 57.599 56.400 0.023 0.000 0.841 107 E CB 0.069 29.784 29.700 0.025 0.000 0.757 107 E HN 0.565 nan 8.360 nan 0.000 0.508 108 K N 1.106 121.513 120.400 0.012 0.000 2.378 108 K HA 0.191 4.511 4.320 0.001 0.000 0.252 108 K C -0.886 175.719 176.600 0.008 0.000 0.931 108 K CA -0.763 55.531 56.287 0.011 0.000 0.794 108 K CB 1.628 34.134 32.500 0.011 0.000 1.181 108 K HN -0.003 nan 8.250 nan 0.000 0.425 109 Q N 2.020 121.826 119.800 0.010 0.000 2.337 109 Q HA -0.173 4.167 4.340 0.001 0.000 0.338 109 Q C -2.188 173.816 176.000 0.006 0.000 1.211 109 Q CA -0.044 55.764 55.803 0.010 0.000 1.072 109 Q CB -1.279 27.465 28.738 0.010 0.000 1.189 109 Q HN 0.351 nan 8.270 nan 0.000 0.295 110 P HA 0.087 nan 4.420 nan 0.000 0.281 110 P C -2.181 175.119 177.300 0.001 0.000 1.252 110 P CA -1.559 61.538 63.100 -0.006 0.000 0.778 110 P CB 0.661 32.354 31.700 -0.012 0.000 0.895 111 P HA 0.053 nan 4.420 nan 0.000 0.271 111 P C 1.339 178.649 177.300 0.017 0.000 1.601 111 P CA 0.047 63.154 63.100 0.012 0.000 0.856 111 P CB -0.456 31.253 31.700 0.015 0.000 1.820 112 I N 0.151 120.731 120.570 0.016 0.000 2.113 112 I HA -0.286 3.884 4.170 0.001 0.000 0.242 112 I C 2.031 178.167 176.117 0.032 0.000 1.064 112 I CA 1.676 62.991 61.300 0.025 0.000 1.320 112 I CB -0.577 37.438 38.000 0.025 0.000 1.028 112 I HN 0.078 nan 8.210 nan 0.000 0.406 113 D N 0.700 121.116 120.400 0.026 0.000 2.144 113 D HA -0.148 4.492 4.640 0.001 0.000 0.199 113 D C 1.890 178.204 176.300 0.023 0.000 0.984 113 D CA 1.073 55.088 54.000 0.024 0.000 0.834 113 D CB -0.387 40.425 40.800 0.020 0.000 0.955 113 D HN 0.437 nan 8.370 nan 0.000 0.465 114 N N 0.605 119.319 118.700 0.024 0.000 2.270 114 N HA -0.088 4.653 4.740 0.001 0.000 0.181 114 N C 1.918 177.445 175.510 0.029 0.000 1.016 114 N CA 0.459 53.523 53.050 0.024 0.000 0.870 114 N CB 0.219 38.721 38.487 0.025 0.000 0.979 114 N HN 0.229 nan 8.380 nan 0.000 0.431 115 I N 1.748 122.343 120.570 0.043 0.000 2.233 115 I HA -0.128 4.042 4.170 0.001 0.000 0.243 115 I C 2.386 178.528 176.117 0.042 0.000 1.093 115 I CA 0.724 62.064 61.300 0.067 0.000 1.380 115 I CB -0.912 37.157 38.000 0.114 0.000 1.067 115 I HN 0.027 nan 8.210 nan 0.000 0.413 116 I N 0.533 121.127 120.570 0.039 0.000 2.127 116 I HA -0.323 3.847 4.170 0.001 0.000 0.241 116 I C 2.832 178.945 176.117 -0.006 0.000 1.075 116 I CA 1.318 62.629 61.300 0.018 0.000 1.334 116 I CB -0.460 37.555 38.000 0.025 0.000 1.040 116 I HN 0.184 nan 8.210 nan 0.000 0.405 117 R N 1.123 121.624 120.500 0.002 0.000 2.117 117 R HA -0.203 4.137 4.340 0.001 0.000 0.243 117 R C 2.175 178.465 176.300 -0.016 0.000 1.143 117 R CA 1.688 57.785 56.100 -0.005 0.000 0.968 117 R CB -0.265 30.037 30.300 0.004 0.000 0.863 117 R HN 0.403 nan 8.270 nan 0.000 0.444 118 A N -0.329 122.481 122.820 -0.017 0.000 2.216 118 A HA 0.108 4.428 4.320 0.001 0.000 0.214 118 A C 1.347 178.891 177.584 -0.066 0.000 1.160 118 A CA 0.941 52.960 52.037 -0.029 0.000 0.725 118 A CB -0.478 18.513 19.000 -0.015 0.000 0.784 118 A HN 0.598 nan 8.150 nan 0.000 0.472 119 G N -1.159 107.593 108.800 -0.079 0.000 2.198 119 G HA2 -0.249 3.712 3.960 0.001 0.000 0.257 119 G HA3 -0.249 3.712 3.960 0.001 0.000 0.257 119 G C 0.566 175.339 174.900 -0.213 0.000 1.042 119 G CA 0.457 45.487 45.100 -0.117 0.000 0.791 119 G HN 0.485 nan 8.290 nan 0.000 0.502 120 L N -0.562 120.490 121.223 -0.284 0.000 2.418 120 L HA 0.231 4.571 4.340 0.001 0.000 0.218 120 L C 2.871 179.196 176.870 -0.908 0.000 1.125 120 L CA 0.311 54.770 54.840 -0.635 0.000 0.835 120 L CB -0.272 41.382 42.059 -0.674 0.000 0.953 120 L HN 0.399 nan 8.230 nan 0.000 0.454 121 I N 0.740 121.067 120.570 -0.405 0.000 2.208 121 I HA -0.224 3.947 4.170 0.001 0.000 0.245 121 I C -0.308 175.657 176.117 -0.253 0.000 1.097 121 I CA 1.585 62.766 61.300 -0.199 0.000 1.363 121 I CB -1.227 36.745 38.000 -0.047 0.000 1.051 121 I HN 0.216 nan 8.210 nan 0.000 0.413 122 P HA -0.151 nan 4.420 nan 0.000 0.218 122 P C 1.455 178.540 177.300 -0.357 0.000 1.149 122 P CA 1.182 64.135 63.100 -0.244 0.000 0.817 122 P CB 0.020 31.602 31.700 -0.196 0.000 0.785 123 K N -1.279 118.791 120.400 -0.550 0.000 2.031 123 K HA -0.029 4.291 4.320 0.001 0.000 0.205 123 K C 1.958 177.905 176.600 -1.088 0.000 1.049 123 K CA 1.305 57.095 56.287 -0.829 0.000 0.939 123 K CB -1.123 30.864 32.500 -0.856 0.000 0.717 123 K HN 0.144 nan 8.250 nan 0.000 0.438 124 F N 1.342 120.908 119.950 -0.640 0.000 2.046 124 F HA -0.165 4.362 4.527 0.001 0.000 0.297 124 F C 2.574 178.177 175.800 -0.328 0.000 1.123 124 F CA 0.452 58.200 58.000 -0.420 0.000 1.199 124 F CB -1.527 37.369 39.000 -0.173 0.000 0.972 124 F HN -0.276 nan 8.300 nan 0.000 0.474 125 V N -0.263 119.598 119.914 -0.088 0.000 2.317 125 V HA -0.358 3.762 4.120 0.001 0.000 0.251 125 V C 2.666 178.665 176.094 -0.158 0.000 1.065 125 V CA 2.263 64.466 62.300 -0.162 0.000 1.049 125 V CB -1.103 30.628 31.823 -0.152 0.000 0.651 125 V HN 0.510 nan 8.190 nan 0.000 0.450 126 S N -0.578 114.995 115.700 -0.211 0.000 2.382 126 S HA -0.158 4.313 4.470 0.001 0.000 0.228 126 S C 1.783 176.404 174.600 0.035 0.000 1.027 126 S CA 1.492 59.607 58.200 -0.142 0.000 0.991 126 S CB -0.370 62.696 63.200 -0.223 0.000 0.823 126 S HN 0.514 nan 8.310 nan 0.000 0.469 127 F N 1.860 121.816 119.950 0.011 0.000 2.407 127 F HA 0.234 4.761 4.527 0.001 0.000 0.299 127 F C 1.910 177.704 175.800 -0.011 0.000 1.097 127 F CA -0.277 57.734 58.000 0.019 0.000 1.422 127 F CB -0.987 38.050 39.000 0.062 0.000 1.067 127 F HN 0.207 nan 8.300 nan 0.000 0.539 128 L N -0.499 120.788 121.223 0.107 0.000 2.079 128 L HA -0.165 4.176 4.340 0.001 0.000 0.210 128 L C 2.582 179.465 176.870 0.023 0.000 1.081 128 L CA 1.525 56.362 54.840 -0.004 0.000 0.752 128 L CB -1.263 40.678 42.059 -0.197 0.000 0.896 128 L HN 0.242 nan 8.230 nan 0.000 0.433 129 G N -0.547 108.273 108.800 0.033 0.000 2.712 129 G HA2 -0.099 3.861 3.960 0.001 0.000 0.212 129 G HA3 -0.099 3.861 3.960 0.001 0.000 0.212 129 G C 0.824 175.760 174.900 0.060 0.000 1.142 129 G CA -0.260 44.863 45.100 0.038 0.000 0.789 129 G HN 0.230 nan 8.290 nan 0.000 0.535 130 K N 1.852 122.303 120.400 0.084 0.000 2.034 130 K HA 0.091 4.411 4.320 0.001 0.000 0.225 130 K C 1.191 177.824 176.600 0.056 0.000 1.190 130 K CA -0.097 56.231 56.287 0.070 0.000 1.152 130 K CB 0.058 32.600 32.500 0.069 0.000 1.300 130 K HN 0.030 nan 8.250 nan 0.000 0.268 131 T N 0.880 115.467 114.554 0.056 0.000 2.778 131 T HA -0.185 4.165 4.350 0.001 0.000 0.269 131 T C 1.231 175.969 174.700 0.063 0.000 1.050 131 T CA 1.278 63.417 62.100 0.065 0.000 1.137 131 T CB -0.029 68.874 68.868 0.059 0.000 0.860 131 T HN 0.483 nan 8.240 nan 0.000 0.468 132 D N -0.293 120.135 120.400 0.046 0.000 2.317 132 D HA 0.004 4.645 4.640 0.001 0.000 0.211 132 D C 0.503 176.819 176.300 0.025 0.000 0.966 132 D CA 0.516 54.539 54.000 0.038 0.000 0.876 132 D CB 0.079 40.896 40.800 0.027 0.000 0.927 132 D HN 0.295 nan 8.370 nan 0.000 0.519 133 C N 1.789 121.098 119.300 0.016 0.000 3.075 133 C HA 0.191 4.651 4.460 0.001 0.000 0.262 133 C C 2.159 177.144 174.990 -0.008 0.000 1.371 133 C CA -0.488 58.524 59.018 -0.009 0.000 1.594 133 C CB -1.363 26.354 27.740 -0.038 0.000 1.849 133 C HN 0.241 nan 8.230 nan 0.000 0.475 134 S N 2.821 118.507 115.700 -0.023 0.000 2.392 134 S HA -0.156 4.314 4.470 0.001 0.000 0.232 134 S C -0.787 173.801 174.600 -0.019 0.000 1.041 134 S CA 1.983 60.136 58.200 -0.077 0.000 1.026 134 S CB -1.424 61.557 63.200 -0.364 0.000 0.845 134 S HN 0.607 nan 8.310 nan 0.000 0.465 135 P HA -0.015 nan 4.420 nan 0.000 0.215 135 P C 1.667 179.024 177.300 0.095 0.000 1.157 135 P CA 0.973 64.118 63.100 0.076 0.000 0.868 135 P CB -0.129 31.585 31.700 0.023 0.000 0.788 136 I N -1.078 119.494 120.570 0.003 0.000 2.614 136 I HA -0.242 3.928 4.170 0.001 0.000 0.258 136 I C 2.142 178.288 176.117 0.049 0.000 1.189 136 I CA 1.249 62.522 61.300 -0.046 0.000 1.462 136 I CB -0.140 37.729 38.000 -0.217 0.000 1.092 136 I HN -0.023 nan 8.210 nan 0.000 0.442 137 Q N -0.206 119.642 119.800 0.080 0.000 2.046 137 Q HA -0.243 4.097 4.340 0.001 0.000 0.200 137 Q C 2.150 178.241 176.000 0.153 0.000 0.975 137 Q CA 1.915 57.784 55.803 0.109 0.000 0.836 137 Q CB -0.284 28.508 28.738 0.090 0.000 0.896 137 Q HN 0.482 nan 8.270 nan 0.000 0.428 138 F N 2.168 122.126 119.950 0.013 0.000 2.075 138 F HA -0.209 4.319 4.527 0.001 0.000 0.297 138 F C 2.130 178.004 175.800 0.124 0.000 1.113 138 F CA 1.463 59.495 58.000 0.052 0.000 1.218 138 F CB -0.144 38.909 39.000 0.088 0.000 0.984 138 F HN -0.019 nan 8.300 nan 0.000 0.472 139 E N 0.377 120.558 120.200 -0.032 0.000 2.058 139 E HA -0.222 4.128 4.350 0.001 0.000 0.194 139 E C 2.493 178.948 176.600 -0.242 0.000 0.997 139 E CA 1.818 58.091 56.400 -0.212 0.000 0.801 139 E CB -0.982 28.635 29.700 -0.138 0.000 0.746 139 E HN 0.549 nan 8.360 nan 0.000 0.450 140 S N 0.827 116.459 115.700 -0.113 0.000 2.402 140 S HA -0.018 4.452 4.470 0.001 0.000 0.229 140 S C 2.240 176.783 174.600 -0.095 0.000 1.021 140 S CA 1.121 59.228 58.200 -0.155 0.000 0.974 140 S CB -0.163 63.123 63.200 0.143 0.000 0.800 140 S HN 0.263 nan 8.310 nan 0.000 0.484 141 A N 1.837 124.671 122.820 0.023 0.000 1.865 141 A HA -0.081 4.239 4.320 0.001 0.000 0.217 141 A C 1.956 179.611 177.584 0.119 0.000 1.191 141 A CA 1.499 53.673 52.037 0.228 0.000 0.623 141 A CB -1.499 17.662 19.000 0.268 0.000 0.826 141 A HN 0.771 nan 8.150 nan 0.000 0.444 142 W N 0.808 121.894 121.300 -0.356 0.000 2.335 142 W HA -0.176 4.485 4.660 0.001 0.000 0.311 142 W C 2.541 178.824 176.519 -0.392 0.000 1.213 142 W CA 1.871 58.928 57.345 -0.480 0.000 1.274 142 W CB -0.915 28.137 29.460 -0.679 0.000 1.148 142 W HN 0.425 nan 8.180 nan 0.000 0.498 143 A N 0.626 123.324 122.820 -0.203 0.000 1.865 143 A HA -0.229 4.091 4.320 0.001 0.000 0.217 143 A C 2.325 179.797 177.584 -0.186 0.000 1.191 143 A CA 2.230 54.048 52.037 -0.365 0.000 0.623 143 A CB -1.269 17.265 19.000 -0.778 0.000 0.826 143 A HN 0.319 nan 8.150 nan 0.000 0.444 144 L N -0.708 120.466 121.223 -0.082 0.000 2.191 144 L HA -0.152 4.189 4.340 0.001 0.000 0.212 144 L C 2.712 179.636 176.870 0.089 0.000 1.103 144 L CA 1.562 56.466 54.840 0.107 0.000 0.769 144 L CB -0.752 41.486 42.059 0.298 0.000 0.908 144 L HN 0.383 nan 8.230 nan 0.000 0.438 145 T N -0.617 113.936 114.554 -0.001 0.000 2.777 145 T HA -0.124 4.227 4.350 0.001 0.000 0.266 145 T C 1.653 176.270 174.700 -0.138 0.000 1.040 145 T CA 1.387 63.384 62.100 -0.172 0.000 1.141 145 T CB -0.173 68.450 68.868 -0.408 0.000 0.868 145 T HN 0.283 nan 8.240 nan 0.000 0.444 146 N N 0.825 119.466 118.700 -0.098 0.000 2.331 146 N HA 0.146 4.886 4.740 0.001 0.000 0.180 146 N C 1.749 177.249 175.510 -0.015 0.000 1.019 146 N CA 0.509 53.523 53.050 -0.060 0.000 0.881 146 N CB -0.301 38.163 38.487 -0.039 0.000 0.972 146 N HN 0.388 nan 8.380 nan 0.000 0.435 147 I N 0.513 121.082 120.570 -0.002 0.000 2.202 147 I HA -0.178 3.993 4.170 0.001 0.000 0.242 147 I C 1.983 178.125 176.117 0.041 0.000 1.091 147 I CA 0.875 62.192 61.300 0.030 0.000 1.368 147 I CB -0.277 37.758 38.000 0.058 0.000 1.058 147 I HN 0.055 nan 8.210 nan 0.000 0.410 148 A N 0.508 123.352 122.820 0.039 0.000 2.178 148 A HA -0.162 4.158 4.320 0.001 0.000 0.218 148 A C 2.366 179.993 177.584 0.072 0.000 1.157 148 A CA 1.680 53.746 52.037 0.049 0.000 0.689 148 A CB -0.635 18.381 19.000 0.026 0.000 0.787 148 A HN 0.549 nan 8.150 nan 0.000 0.465 149 S N -0.710 115.027 115.700 0.062 0.000 2.496 149 S HA 0.249 4.719 4.470 0.001 0.000 0.224 149 S C 1.364 176.013 174.600 0.081 0.000 0.996 149 S CA 0.587 58.841 58.200 0.091 0.000 0.927 149 S CB -0.544 62.698 63.200 0.070 0.000 0.774 149 S HN 0.600 nan 8.310 nan 0.000 0.524 150 G N 1.841 110.679 108.800 0.064 0.000 2.580 150 G HA2 0.379 4.340 3.960 0.001 0.000 0.225 150 G HA3 0.379 4.340 3.960 0.001 0.000 0.225 150 G C 0.259 175.196 174.900 0.062 0.000 1.521 150 G CA 0.139 45.273 45.100 0.056 0.000 1.068 150 G HN 0.590 nan 8.290 nan 0.000 0.564 151 T N -2.406 112.179 114.554 0.053 0.000 2.856 151 T HA 0.213 4.564 4.350 0.001 0.000 0.306 151 T C 1.522 176.263 174.700 0.068 0.000 1.062 151 T CA 0.474 62.604 62.100 0.050 0.000 1.083 151 T CB 1.149 70.040 68.868 0.038 0.000 0.984 151 T HN 0.219 nan 8.240 nan 0.000 0.542 152 S N 0.127 115.863 115.700 0.060 0.000 2.392 152 S HA -0.176 4.295 4.470 0.001 0.000 0.232 152 S C 1.879 176.548 174.600 0.115 0.000 1.041 152 S CA 1.710 59.959 58.200 0.082 0.000 1.026 152 S CB -0.525 62.686 63.200 0.018 0.000 0.845 152 S HN 0.900 nan 8.310 nan 0.000 0.465 153 E N 0.582 120.829 120.200 0.077 0.000 2.072 153 E HA -0.169 4.182 4.350 0.001 0.000 0.191 153 E C 2.164 178.818 176.600 0.089 0.000 0.985 153 E CA 0.913 57.361 56.400 0.079 0.000 0.801 153 E CB -0.043 29.687 29.700 0.049 0.000 0.750 153 E HN 0.598 nan 8.360 nan 0.000 0.452 154 Q N -0.368 119.478 119.800 0.077 0.000 2.084 154 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 154 Q C 2.216 178.264 176.000 0.080 0.000 0.978 154 Q CA 1.844 57.688 55.803 0.068 0.000 0.844 154 Q CB -0.105 28.667 28.738 0.058 0.000 0.898 154 Q HN 0.230 nan 8.270 nan 0.000 0.426 155 T N 1.271 115.891 114.554 0.110 0.000 2.821 155 T HA -0.154 4.196 4.350 0.001 0.000 0.267 155 T C 1.704 176.463 174.700 0.098 0.000 1.046 155 T CA 1.352 63.520 62.100 0.113 0.000 1.139 155 T CB -0.099 68.884 68.868 0.192 0.000 0.871 155 T HN 0.255 nan 8.240 nan 0.000 0.454 156 K N 1.161 121.697 120.400 0.227 0.000 2.057 156 K HA -0.040 4.280 4.320 0.001 0.000 0.207 156 K C 2.503 179.149 176.600 0.078 0.000 1.049 156 K CA 1.204 57.646 56.287 0.258 0.000 0.931 156 K CB -0.339 32.336 32.500 0.292 0.000 0.714 156 K HN 0.260 nan 8.250 nan 0.000 0.440 157 A N 0.748 123.606 122.820 0.064 0.000 1.892 157 A HA -0.154 4.166 4.320 0.001 0.000 0.218 157 A C 2.253 179.839 177.584 0.003 0.000 1.188 157 A CA 1.973 54.029 52.037 0.031 0.000 0.631 157 A CB -0.810 18.212 19.000 0.035 0.000 0.822 157 A HN 0.188 nan 8.150 nan 0.000 0.447 158 V N -0.559 119.357 119.914 0.003 0.000 2.295 158 V HA -0.230 3.890 4.120 0.001 0.000 0.246 158 V C 2.565 178.618 176.094 -0.068 0.000 1.049 158 V CA 1.954 64.254 62.300 -0.000 0.000 1.024 158 V CB -0.874 30.973 31.823 0.040 0.000 0.648 158 V HN 0.368 nan 8.190 nan 0.000 0.447 159 V N 0.333 120.138 119.914 -0.180 0.000 2.332 159 V HA -0.281 3.840 4.120 0.001 0.000 0.248 159 V C 2.289 178.296 176.094 -0.145 0.000 1.055 159 V CA 2.276 64.400 62.300 -0.292 0.000 1.038 159 V CB -0.759 30.621 31.823 -0.738 0.000 0.651 159 V HN 0.556 nan 8.190 nan 0.000 0.450 160 D N 0.730 121.085 120.400 -0.074 0.000 2.182 160 D HA -0.120 4.520 4.640 0.001 0.000 0.201 160 D C 2.102 178.381 176.300 -0.035 0.000 0.986 160 D CA 1.506 55.492 54.000 -0.024 0.000 0.847 160 D CB -0.538 40.266 40.800 0.007 0.000 0.942 160 D HN 0.504 nan 8.370 nan 0.000 0.467 161 G N -0.818 107.953 108.800 -0.048 0.000 2.776 161 G HA2 0.166 4.127 3.960 0.001 0.000 0.209 161 G HA3 0.166 4.127 3.960 0.001 0.000 0.209 161 G C 1.214 176.073 174.900 -0.068 0.000 1.145 161 G CA 0.657 45.721 45.100 -0.060 0.000 0.791 161 G HN 0.478 nan 8.290 nan 0.000 0.530 162 G N -1.181 107.581 108.800 -0.063 0.000 2.141 162 G HA2 -0.010 3.950 3.960 0.001 0.000 0.231 162 G HA3 -0.010 3.950 3.960 0.001 0.000 0.231 162 G C 1.268 176.115 174.900 -0.088 0.000 0.984 162 G CA 0.959 46.025 45.100 -0.057 0.000 0.660 162 G HN 1.112 nan 8.290 nan 0.000 0.525 163 A N 0.064 122.820 122.820 -0.105 0.000 1.933 163 A HA 0.182 4.503 4.320 0.001 0.000 0.218 163 A C 2.363 179.908 177.584 -0.065 0.000 1.175 163 A CA 1.812 53.767 52.037 -0.137 0.000 0.628 163 A CB -0.316 18.662 19.000 -0.037 0.000 0.814 163 A HN 0.772 nan 8.150 nan 0.000 0.444 164 I N 0.536 121.050 120.570 -0.094 0.000 2.069 164 I HA -0.205 3.966 4.170 0.001 0.000 0.237 164 I C -0.160 175.904 176.117 -0.089 0.000 1.053 164 I CA 2.003 63.215 61.300 -0.146 0.000 1.311 164 I CB -1.298 36.400 38.000 -0.504 0.000 1.030 164 I HN 0.271 nan 8.210 nan 0.000 0.398 165 P HA -0.212 nan 4.420 nan 0.000 0.217 165 P C 1.323 178.647 177.300 0.040 0.000 1.148 165 P CA 2.237 65.390 63.100 0.088 0.000 0.828 165 P CB -0.034 31.770 31.700 0.173 0.000 0.783 166 A N -0.505 122.295 122.820 -0.032 0.000 1.873 166 A HA -0.147 4.173 4.320 0.001 0.000 0.215 166 A C 2.104 179.648 177.584 -0.067 0.000 1.186 166 A CA 1.266 53.247 52.037 -0.094 0.000 0.616 166 A CB -1.710 17.157 19.000 -0.222 0.000 0.823 166 A HN 0.017 nan 8.150 nan 0.000 0.442 167 F N 0.180 120.129 119.950 -0.001 0.000 2.171 167 F HA -0.095 4.432 4.527 0.001 0.000 0.300 167 F C 2.139 177.953 175.800 0.024 0.000 1.090 167 F CA 0.868 58.875 58.000 0.012 0.000 1.293 167 F CB -0.458 38.539 39.000 -0.006 0.000 1.013 167 F HN 0.123 nan 8.300 nan 0.000 0.486 168 I N -1.304 119.387 120.570 0.201 0.000 2.286 168 I HA -0.300 3.870 4.170 0.001 0.000 0.248 168 I C 2.365 178.551 176.117 0.115 0.000 1.115 168 I CA 1.135 62.517 61.300 0.136 0.000 1.392 168 I CB -0.583 37.483 38.000 0.110 0.000 1.065 168 I HN -0.012 nan 8.210 nan 0.000 0.418 169 S N 0.770 116.529 115.700 0.098 0.000 2.382 169 S HA -0.063 4.407 4.470 0.001 0.000 0.228 169 S C 1.913 176.569 174.600 0.092 0.000 1.027 169 S CA 1.055 59.302 58.200 0.078 0.000 0.991 169 S CB -0.233 62.998 63.200 0.052 0.000 0.823 169 S HN 0.371 nan 8.310 nan 0.000 0.469 170 L N 1.245 122.540 121.223 0.120 0.000 2.456 170 L HA -0.008 4.332 4.340 0.001 0.000 0.224 170 L C 1.762 178.720 176.870 0.146 0.000 1.148 170 L CA 0.448 55.373 54.840 0.141 0.000 0.825 170 L CB -0.537 41.638 42.059 0.193 0.000 0.937 170 L HN 0.320 nan 8.230 nan 0.000 0.450 171 L N -0.177 121.128 121.223 0.137 0.000 2.131 171 L HA -0.149 4.192 4.340 0.001 0.000 0.210 171 L C 2.381 179.319 176.870 0.113 0.000 1.092 171 L CA 0.979 55.895 54.840 0.126 0.000 0.759 171 L CB -0.528 41.592 42.059 0.102 0.000 0.903 171 L HN 0.237 nan 8.230 nan 0.000 0.435 172 A N -1.020 121.855 122.820 0.092 0.000 2.302 172 A HA 0.078 4.398 4.320 0.001 0.000 0.219 172 A C 1.130 178.751 177.584 0.063 0.000 1.243 172 A CA -0.028 52.052 52.037 0.072 0.000 0.856 172 A CB -0.217 18.817 19.000 0.057 0.000 0.893 172 A HN 0.244 nan 8.150 nan 0.000 0.491 173 S N 0.315 116.064 115.700 0.082 0.000 2.562 173 S HA 0.256 4.727 4.470 0.001 0.000 0.281 173 S C -1.362 173.249 174.600 0.018 0.000 1.333 173 S CA -0.823 57.422 58.200 0.076 0.000 1.052 173 S CB 0.679 63.955 63.200 0.127 0.000 0.884 173 S HN 0.224 nan 8.310 nan 0.000 0.506 174 P HA 0.043 nan 4.420 nan 0.000 0.233 174 P C -0.450 176.665 177.300 -0.309 0.000 1.167 174 P CA 0.795 63.762 63.100 -0.223 0.000 0.770 174 P CB 0.029 31.529 31.700 -0.333 0.000 0.837 175 H N -0.421 118.672 119.070 0.038 0.000 2.741 175 H HA 0.349 4.905 4.556 0.001 0.000 0.282 175 H C 1.309 176.668 175.328 0.052 0.000 1.122 175 H CA -0.378 55.715 56.048 0.074 0.000 1.293 175 H CB 0.957 30.754 29.762 0.059 0.000 1.415 175 H HN -0.016 nan 8.280 nan 0.000 0.472 176 A N 3.837 126.725 122.820 0.114 0.000 1.958 176 A HA -0.272 4.048 4.320 0.001 0.000 0.221 176 A C 2.129 179.811 177.584 0.165 0.000 1.178 176 A CA 1.942 53.994 52.037 0.026 0.000 0.642 176 A CB -0.724 18.155 19.000 -0.202 0.000 0.816 176 A HN 0.857 nan 8.150 nan 0.000 0.453 177 H N -0.974 118.124 119.070 0.046 0.000 2.491 177 H HA 0.059 4.615 4.556 0.001 0.000 0.290 177 H C 1.752 177.195 175.328 0.190 0.000 1.050 177 H CA 1.453 57.529 56.048 0.047 0.000 1.309 177 H CB -0.571 29.065 29.762 -0.209 0.000 1.392 177 H HN 0.527 nan 8.280 nan 0.000 0.554 178 I N 0.436 120.798 120.570 -0.346 0.000 2.703 178 I HA -0.145 4.025 4.170 0.001 0.000 0.259 178 I C 2.724 178.924 176.117 0.138 0.000 1.151 178 I CA 0.754 62.009 61.300 -0.074 0.000 1.470 178 I CB -0.115 37.815 38.000 -0.117 0.000 1.112 178 I HN 0.224 nan 8.210 nan 0.000 0.437 179 S N 0.786 116.585 115.700 0.165 0.000 2.355 179 S HA -0.251 4.220 4.470 0.001 0.000 0.222 179 S C 2.013 176.765 174.600 0.253 0.000 1.031 179 S CA 1.714 60.049 58.200 0.226 0.000 0.993 179 S CB -0.204 63.163 63.200 0.277 0.000 0.859 179 S HN 0.416 nan 8.310 nan 0.000 0.453 180 E N 0.012 120.421 120.200 0.349 0.000 2.070 180 E HA -0.229 4.121 4.350 0.001 0.000 0.197 180 E C 2.368 179.108 176.600 0.234 0.000 1.004 180 E CA 1.485 58.057 56.400 0.287 0.000 0.805 180 E CB -0.181 29.758 29.700 0.400 0.000 0.744 180 E HN 0.445 nan 8.360 nan 0.000 0.451 181 Q N -0.183 119.762 119.800 0.242 0.000 2.112 181 Q HA -0.197 4.143 4.340 0.001 0.000 0.206 181 Q C 2.101 178.149 176.000 0.079 0.000 0.987 181 Q CA 1.542 57.440 55.803 0.158 0.000 0.858 181 Q CB -0.504 28.338 28.738 0.173 0.000 0.905 181 Q HN 0.382 nan 8.270 nan 0.000 0.420 182 A N 0.076 122.989 122.820 0.156 0.000 1.883 182 A HA -0.156 4.164 4.320 0.001 0.000 0.217 182 A C 2.438 180.005 177.584 -0.028 0.000 1.186 182 A CA 1.804 53.920 52.037 0.132 0.000 0.624 182 A CB -0.790 18.366 19.000 0.260 0.000 0.822 182 A HN 0.232 nan 8.150 nan 0.000 0.444 183 V N -1.631 118.317 119.914 0.056 0.000 2.343 183 V HA -0.251 3.870 4.120 0.001 0.000 0.247 183 V C 2.276 178.440 176.094 0.116 0.000 1.051 183 V CA 1.840 64.162 62.300 0.038 0.000 1.036 183 V CB -0.896 30.917 31.823 -0.016 0.000 0.654 183 V HN 0.841 nan 8.190 nan 0.000 0.451 184 W N 0.986 122.251 121.300 -0.058 0.000 2.355 184 W HA -0.182 4.478 4.660 0.001 0.000 0.309 184 W C 2.564 179.051 176.519 -0.054 0.000 1.206 184 W CA 2.186 59.536 57.345 0.009 0.000 1.284 184 W CB -0.762 28.639 29.460 -0.099 0.000 1.145 184 W HN 0.280 nan 8.180 nan 0.000 0.502 185 A N 0.541 123.306 122.820 -0.090 0.000 1.858 185 A HA -0.200 4.120 4.320 0.001 0.000 0.216 185 A C 2.279 179.683 177.584 -0.301 0.000 1.190 185 A CA 1.964 53.724 52.037 -0.461 0.000 0.617 185 A CB -1.224 16.815 19.000 -1.602 0.000 0.827 185 A HN 0.288 nan 8.150 nan 0.000 0.443 186 L N -0.572 120.479 121.223 -0.287 0.000 2.127 186 L HA -0.149 4.191 4.340 0.001 0.000 0.211 186 L C 2.765 179.582 176.870 -0.089 0.000 1.089 186 L CA 0.898 55.654 54.840 -0.139 0.000 0.757 186 L CB -0.839 41.174 42.059 -0.077 0.000 0.899 186 L HN 0.528 nan 8.230 nan 0.000 0.434 187 G N -0.004 108.782 108.800 -0.025 0.000 2.433 187 G HA2 -0.279 3.682 3.960 0.001 0.000 0.216 187 G HA3 -0.279 3.682 3.960 0.001 0.000 0.216 187 G C 1.388 176.217 174.900 -0.118 0.000 1.186 187 G CA 0.671 45.664 45.100 -0.179 0.000 0.779 187 G HN 0.291 nan 8.290 nan 0.000 0.543 188 N N 0.660 119.498 118.700 0.230 0.000 2.104 188 N HA -0.070 4.671 4.740 0.001 0.000 0.190 188 N C 2.255 177.817 175.510 0.087 0.000 1.024 188 N CA 0.895 54.089 53.050 0.240 0.000 0.853 188 N CB -0.244 38.387 38.487 0.241 0.000 1.008 188 N HN 0.391 nan 8.380 nan 0.000 0.424 189 I N 0.727 121.307 120.570 0.016 0.000 2.163 189 I HA -0.214 3.957 4.170 0.001 0.000 0.240 189 I C 2.277 178.430 176.117 0.060 0.000 1.081 189 I CA 1.090 62.390 61.300 -0.001 0.000 1.353 189 I CB -0.351 37.583 38.000 -0.110 0.000 1.054 189 I HN 0.052 nan 8.210 nan 0.000 0.407 190 A N 0.899 123.711 122.820 -0.014 0.000 1.972 190 A HA -0.102 4.218 4.320 0.001 0.000 0.219 190 A C 2.360 179.915 177.584 -0.049 0.000 1.169 190 A CA 1.688 53.715 52.037 -0.017 0.000 0.635 190 A CB -1.365 17.582 19.000 -0.088 0.000 0.810 190 A HN 0.489 nan 8.150 nan 0.000 0.446 191 G N -0.478 108.262 108.800 -0.100 0.000 2.535 191 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 191 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 191 G C 1.093 175.976 174.900 -0.028 0.000 1.122 191 G CA 1.224 46.257 45.100 -0.112 0.000 0.769 191 G HN 0.605 nan 8.290 nan 0.000 0.549 192 D N -0.405 120.026 120.400 0.052 0.000 2.178 192 D HA 0.266 4.906 4.640 0.001 0.000 0.202 192 D C 1.281 177.565 176.300 -0.027 0.000 0.974 192 D CA 1.509 55.551 54.000 0.069 0.000 0.841 192 D CB 0.024 40.968 40.800 0.239 0.000 0.953 192 D HN 0.449 nan 8.370 nan 0.000 0.478 193 G N -2.716 106.057 108.800 -0.045 0.000 2.356 193 G HA2 0.063 4.023 3.960 0.001 0.000 0.300 193 G HA3 0.063 4.023 3.960 0.001 0.000 0.300 193 G C 0.545 175.393 174.900 -0.086 0.000 1.331 193 G CA 0.004 45.045 45.100 -0.098 0.000 0.905 193 G HN -0.093 nan 8.290 nan 0.000 0.587 194 S N -0.110 115.533 115.700 -0.095 0.000 2.393 194 S HA -0.235 4.236 4.470 0.001 0.000 0.235 194 S C 2.914 177.488 174.600 -0.044 0.000 1.061 194 S CA 3.290 61.449 58.200 -0.069 0.000 1.129 194 S CB -0.809 62.349 63.200 -0.069 0.000 1.011 194 S HN 1.675 nan 8.310 nan 0.000 0.436 195 A N 1.549 124.317 122.820 -0.086 0.000 1.849 195 A HA -0.124 4.196 4.320 0.001 0.000 0.217 195 A C 1.930 179.564 177.584 0.084 0.000 1.202 195 A CA 1.956 53.954 52.037 -0.064 0.000 0.629 195 A CB -1.129 17.747 19.000 -0.205 0.000 0.834 195 A HN 0.439 nan 8.150 nan 0.000 0.447 196 F N -0.074 119.867 119.950 -0.015 0.000 2.171 196 F HA -0.104 4.424 4.527 0.001 0.000 0.300 196 F C 2.410 178.196 175.800 -0.023 0.000 1.090 196 F CA 1.099 59.090 58.000 -0.015 0.000 1.293 196 F CB -0.907 38.079 39.000 -0.022 0.000 1.013 196 F HN 0.305 nan 8.300 nan 0.000 0.486 197 R N 0.683 121.269 120.500 0.144 0.000 2.096 197 R HA -0.193 4.147 4.340 0.001 0.000 0.240 197 R C 1.618 177.952 176.300 0.056 0.000 1.139 197 R CA 2.235 58.365 56.100 0.050 0.000 0.952 197 R CB -0.454 29.840 30.300 -0.009 0.000 0.854 197 R HN 0.151 nan 8.270 nan 0.000 0.436 198 D N 0.433 120.871 120.400 0.063 0.000 2.269 198 D HA -0.115 4.525 4.640 0.001 0.000 0.208 198 D C 1.776 178.139 176.300 0.105 0.000 0.963 198 D CA 0.505 54.543 54.000 0.064 0.000 0.864 198 D CB -0.038 40.788 40.800 0.043 0.000 0.936 198 D HN 0.202 nan 8.370 nan 0.000 0.505 199 L N 0.487 121.803 121.223 0.155 0.000 2.109 199 L HA -0.073 4.267 4.340 0.001 0.000 0.207 199 L C 2.123 179.138 176.870 0.242 0.000 1.086 199 L CA 1.012 55.983 54.840 0.220 0.000 0.760 199 L CB -0.228 41.981 42.059 0.250 0.000 0.910 199 L HN -0.173 nan 8.230 nan 0.000 0.437 200 V N -0.199 119.782 119.914 0.110 0.000 2.343 200 V HA -0.303 3.817 4.120 0.001 0.000 0.247 200 V C 2.471 178.629 176.094 0.107 0.000 1.051 200 V CA 2.158 64.490 62.300 0.053 0.000 1.036 200 V CB -0.529 31.298 31.823 0.006 0.000 0.654 200 V HN 0.384 nan 8.190 nan 0.000 0.451 201 I N -0.469 120.154 120.570 0.088 0.000 2.286 201 I HA -0.235 3.935 4.170 0.001 0.000 0.248 201 I C 2.525 178.693 176.117 0.085 0.000 1.115 201 I CA 1.552 62.893 61.300 0.070 0.000 1.392 201 I CB -0.393 37.634 38.000 0.045 0.000 1.065 201 I HN 0.269 nan 8.210 nan 0.000 0.418 202 K N -0.171 120.295 120.400 0.110 0.000 2.211 202 K HA -0.144 4.176 4.320 0.001 0.000 0.203 202 K C 1.613 178.228 176.600 0.024 0.000 1.050 202 K CA 1.061 57.383 56.287 0.058 0.000 0.945 202 K CB -0.144 32.379 32.500 0.038 0.000 0.732 202 K HN 0.375 nan 8.250 nan 0.000 0.451 203 H N -0.512 118.572 119.070 0.023 0.000 2.556 203 H HA 0.099 4.656 4.556 0.001 0.000 0.268 203 H C 0.606 175.949 175.328 0.024 0.000 0.996 203 H CA 0.671 56.732 56.048 0.023 0.000 1.157 203 H CB 0.217 29.995 29.762 0.026 0.000 1.355 203 H HN 0.363 nan 8.280 nan 0.000 0.597 204 G N 0.469 109.336 108.800 0.112 0.000 2.324 204 G HA2 -0.245 3.715 3.960 0.001 0.000 0.292 204 G HA3 -0.245 3.715 3.960 0.001 0.000 0.292 204 G C 1.007 175.951 174.900 0.073 0.000 1.079 204 G CA 0.424 45.567 45.100 0.072 0.000 1.026 204 G HN 0.605 nan 8.290 nan 0.000 0.506 205 A N -0.548 122.315 122.820 0.072 0.000 2.030 205 A HA 0.421 4.742 4.320 0.001 0.000 0.215 205 A C 2.340 179.944 177.584 0.034 0.000 1.164 205 A CA 1.312 53.382 52.037 0.055 0.000 0.697 205 A CB -0.099 18.928 19.000 0.045 0.000 0.827 205 A HN 0.707 nan 8.150 nan 0.000 0.457 206 I N 0.233 120.819 120.570 0.028 0.000 2.208 206 I HA -0.286 3.884 4.170 0.001 0.000 0.245 206 I C 1.908 178.036 176.117 0.019 0.000 1.097 206 I CA 1.593 62.903 61.300 0.016 0.000 1.363 206 I CB -0.515 37.493 38.000 0.015 0.000 1.051 206 I HN 0.346 nan 8.210 nan 0.000 0.413 207 D N 0.995 121.410 120.400 0.025 0.000 2.087 207 D HA -0.148 4.493 4.640 0.001 0.000 0.192 207 D C -0.314 176.003 176.300 0.029 0.000 0.993 207 D CA 1.705 55.720 54.000 0.025 0.000 0.828 207 D CB -1.621 39.195 40.800 0.027 0.000 0.968 207 D HN 0.272 nan 8.370 nan 0.000 0.448 208 P HA -0.109 nan 4.420 nan 0.000 0.215 208 P C 1.923 179.246 177.300 0.038 0.000 1.157 208 P CA 0.806 63.932 63.100 0.043 0.000 0.874 208 P CB -0.071 31.661 31.700 0.053 0.000 0.790 209 L N -1.366 119.872 121.223 0.026 0.000 1.970 209 L HA -0.198 4.142 4.340 0.001 0.000 0.212 209 L C 2.524 179.398 176.870 0.006 0.000 1.071 209 L CA 1.563 56.407 54.840 0.007 0.000 0.751 209 L CB -1.171 40.883 42.059 -0.009 0.000 0.889 209 L HN -0.065 nan 8.230 nan 0.000 0.432 210 L N -0.510 120.718 121.223 0.008 0.000 2.127 210 L HA -0.237 4.103 4.340 0.001 0.000 0.211 210 L C 2.806 179.687 176.870 0.019 0.000 1.089 210 L CA 1.069 55.914 54.840 0.009 0.000 0.757 210 L CB -0.791 41.273 42.059 0.010 0.000 0.899 210 L HN 0.303 nan 8.230 nan 0.000 0.434 211 A N 0.124 122.961 122.820 0.027 0.000 1.972 211 A HA -0.143 4.177 4.320 0.001 0.000 0.219 211 A C 2.221 179.834 177.584 0.048 0.000 1.169 211 A CA 1.228 53.285 52.037 0.034 0.000 0.635 211 A CB -0.585 18.437 19.000 0.037 0.000 0.810 211 A HN 0.387 nan 8.150 nan 0.000 0.446 212 L N -1.005 120.253 121.223 0.059 0.000 2.265 212 L HA -0.082 4.258 4.340 0.001 0.000 0.215 212 L C 1.776 178.705 176.870 0.099 0.000 1.117 212 L CA 0.718 55.619 54.840 0.102 0.000 0.782 212 L CB -0.257 41.867 42.059 0.109 0.000 0.914 212 L HN 0.354 nan 8.230 nan 0.000 0.441 213 L N -0.631 120.620 121.223 0.048 0.000 2.640 213 L HA 0.226 4.567 4.340 0.001 0.000 0.230 213 L C 1.250 178.136 176.870 0.027 0.000 1.123 213 L CA -0.412 54.447 54.840 0.032 0.000 0.900 213 L CB 0.015 42.072 42.059 -0.002 0.000 1.146 213 L HN 0.038 nan 8.230 nan 0.000 0.484 214 A N 1.594 124.433 122.820 0.032 0.000 3.037 214 A HA 0.446 4.766 4.320 0.001 0.000 0.272 214 A C 0.090 177.689 177.584 0.025 0.000 1.723 214 A CA -0.131 51.921 52.037 0.025 0.000 1.413 214 A CB -0.835 18.179 19.000 0.023 0.000 1.112 214 A HN 0.115 nan 8.150 nan 0.000 0.606 215 V N -0.987 118.942 119.914 0.025 0.000 3.040 215 V HA 0.623 4.743 4.120 0.001 0.000 0.312 215 V C -1.966 174.140 176.094 0.021 0.000 1.115 215 V CA -1.714 60.600 62.300 0.024 0.000 0.998 215 V CB 1.043 32.883 31.823 0.029 0.000 1.042 215 V HN 0.333 nan 8.190 nan 0.000 0.433 216 P HA 0.023 nan 4.420 nan 0.000 0.215 216 P C -0.196 177.118 177.300 0.025 0.000 1.153 216 P CA 1.438 64.549 63.100 0.018 0.000 0.853 216 P CB 0.173 31.881 31.700 0.014 0.000 0.788 217 D N -1.367 119.053 120.400 0.032 0.000 2.620 217 D HA 0.134 4.774 4.640 0.001 0.000 0.252 217 D C 0.985 177.321 176.300 0.060 0.000 1.207 217 D CA -0.384 53.645 54.000 0.049 0.000 0.884 217 D CB 1.146 41.973 40.800 0.046 0.000 1.262 217 D HN -0.180 nan 8.370 nan 0.000 0.552 218 L N 1.976 123.241 121.223 0.070 0.000 2.189 218 L HA -0.170 4.170 4.340 0.001 0.000 0.214 218 L C 2.123 179.054 176.870 0.101 0.000 1.097 218 L CA 0.793 55.649 54.840 0.026 0.000 0.764 218 L CB -0.240 41.752 42.059 -0.111 0.000 0.900 218 L HN 0.313 nan 8.230 nan 0.000 0.436 219 S N -0.836 114.984 115.700 0.199 0.000 2.440 219 S HA -0.180 4.290 4.470 0.001 0.000 0.238 219 S C 2.030 176.694 174.600 0.105 0.000 1.010 219 S CA 1.731 60.049 58.200 0.197 0.000 0.972 219 S CB -0.373 62.906 63.200 0.132 0.000 0.774 219 S HN 0.669 nan 8.310 nan 0.000 0.501 220 T N 0.223 114.819 114.554 0.071 0.000 3.072 220 T HA 0.155 4.505 4.350 0.001 0.000 0.266 220 T C 0.486 175.207 174.700 0.035 0.000 1.127 220 T CA 0.179 62.304 62.100 0.042 0.000 1.107 220 T CB -0.446 68.438 68.868 0.027 0.000 0.910 220 T HN 0.176 nan 8.240 nan 0.000 0.513 221 L N 1.524 122.780 121.223 0.055 0.000 2.399 221 L HA 0.635 4.975 4.340 0.001 0.000 0.266 221 L C 0.866 177.782 176.870 0.076 0.000 1.114 221 L CA -1.228 53.651 54.840 0.064 0.000 0.804 221 L CB 0.639 42.772 42.059 0.124 0.000 1.146 221 L HN 0.136 nan 8.230 nan 0.000 0.451 222 A N 0.796 123.656 122.820 0.065 0.000 2.520 222 A HA -0.000 4.320 4.320 0.001 0.000 0.245 222 A C 1.141 178.801 177.584 0.126 0.000 1.072 222 A CA -0.180 51.903 52.037 0.077 0.000 0.761 222 A CB 0.240 19.271 19.000 0.052 0.000 1.004 222 A HN 1.070 nan 8.150 nan 0.000 0.499 223 C N 2.825 122.182 119.300 0.094 0.000 2.367 223 C HA -0.145 4.315 4.460 0.001 0.000 0.276 223 C C 2.712 177.745 174.990 0.072 0.000 1.195 223 C CA 2.138 61.211 59.018 0.091 0.000 1.756 223 C CB -1.536 26.245 27.740 0.070 0.000 2.046 223 C HN 0.968 nan 8.230 nan 0.000 0.453 224 G N -2.306 106.532 108.800 0.064 0.000 2.422 224 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 224 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 224 G C 1.432 176.363 174.900 0.051 0.000 1.140 224 G CA 1.002 46.119 45.100 0.028 0.000 0.775 224 G HN 0.711 nan 8.290 nan 0.000 0.545 225 Y N 0.668 120.960 120.300 -0.014 0.000 2.145 225 Y HA -0.059 4.491 4.550 0.001 0.000 0.286 225 Y C 2.434 178.325 175.900 -0.016 0.000 1.145 225 Y CA 1.474 59.574 58.100 -0.001 0.000 1.148 225 Y CB -0.273 38.196 38.460 0.015 0.000 0.981 225 Y HN 0.139 nan 8.280 nan 0.000 0.507 226 L N 0.718 121.973 121.223 0.054 0.000 2.141 226 L HA -0.111 4.230 4.340 0.001 0.000 0.209 226 L C 2.224 179.040 176.870 -0.090 0.000 1.094 226 L CA 1.579 56.385 54.840 -0.056 0.000 0.763 226 L CB -0.637 41.397 42.059 -0.042 0.000 0.908 226 L HN 0.122 nan 8.230 nan 0.000 0.437 227 R N -0.763 119.701 120.500 -0.061 0.000 2.075 227 R HA -0.093 4.248 4.340 0.001 0.000 0.232 227 R C 2.101 178.351 176.300 -0.084 0.000 1.126 227 R CA 1.164 57.226 56.100 -0.062 0.000 0.963 227 R CB -0.503 29.750 30.300 -0.079 0.000 0.858 227 R HN 0.440 nan 8.270 nan 0.000 0.435 228 N N 0.977 119.582 118.700 -0.159 0.000 2.104 228 N HA -0.141 4.599 4.740 0.001 0.000 0.190 228 N C 1.873 177.353 175.510 -0.049 0.000 1.024 228 N CA 1.239 54.191 53.050 -0.163 0.000 0.853 228 N CB -0.069 38.286 38.487 -0.220 0.000 1.008 228 N HN 0.161 nan 8.380 nan 0.000 0.424 229 L N 0.481 121.612 121.223 -0.154 0.000 1.994 229 L HA -0.146 4.195 4.340 0.001 0.000 0.208 229 L C 2.373 179.209 176.870 -0.056 0.000 1.071 229 L CA 1.165 55.925 54.840 -0.135 0.000 0.745 229 L CB -0.853 41.081 42.059 -0.208 0.000 0.892 229 L HN 0.109 nan 8.230 nan 0.000 0.431 230 T N -1.292 113.241 114.554 -0.036 0.000 2.699 230 T HA -0.279 4.071 4.350 0.001 0.000 0.268 230 T C 1.308 176.042 174.700 0.056 0.000 1.036 230 T CA 1.829 63.931 62.100 0.004 0.000 1.147 230 T CB -0.411 68.466 68.868 0.015 0.000 0.862 230 T HN 0.488 nan 8.240 nan 0.000 0.446 231 W N 1.724 122.957 121.300 -0.110 0.000 2.353 231 W HA -0.174 4.486 4.660 0.000 0.000 0.319 231 W C 2.439 178.910 176.519 -0.081 0.000 1.207 231 W CA 1.655 58.937 57.345 -0.105 0.000 1.291 231 W CB -0.985 28.358 29.460 -0.195 0.000 1.159 231 W HN 0.079 nan 8.180 nan 0.000 0.478 232 T N 1.665 116.110 114.554 -0.182 0.000 2.759 232 T HA -0.239 4.111 4.350 0.001 0.000 0.269 232 T C 1.947 176.473 174.700 -0.291 0.000 1.042 232 T CA 1.875 63.734 62.100 -0.402 0.000 1.140 232 T CB -0.562 68.218 68.868 -0.145 0.000 0.864 232 T HN 0.149 nan 8.240 nan 0.000 0.455 233 L N 1.231 122.361 121.223 -0.155 0.000 2.046 233 L HA -0.122 4.219 4.340 0.001 0.000 0.208 233 L C 2.916 179.737 176.870 -0.082 0.000 1.077 233 L CA 1.555 56.338 54.840 -0.095 0.000 0.747 233 L CB -0.687 41.343 42.059 -0.048 0.000 0.896 233 L HN 0.404 nan 8.230 nan 0.000 0.432 234 S N -0.244 115.403 115.700 -0.088 0.000 2.399 234 S HA -0.185 4.285 4.470 0.001 0.000 0.231 234 S C 1.719 176.333 174.600 0.023 0.000 1.022 234 S CA 1.424 59.638 58.200 0.024 0.000 0.983 234 S CB -0.385 62.848 63.200 0.056 0.000 0.803 234 S HN 0.409 nan 8.310 nan 0.000 0.480 235 N N 1.341 119.894 118.700 -0.246 0.000 2.459 235 N HA 0.189 4.929 4.740 0.001 0.000 0.181 235 N C 1.414 176.813 175.510 -0.185 0.000 1.046 235 N CA 0.681 53.557 53.050 -0.291 0.000 0.904 235 N CB -0.449 37.731 38.487 -0.512 0.000 0.964 235 N HN 0.477 nan 8.380 nan 0.000 0.444 236 L N -0.745 120.402 121.223 -0.128 0.000 2.492 236 L HA 0.026 4.366 4.340 0.001 0.000 0.223 236 L C 1.138 177.990 176.870 -0.031 0.000 1.132 236 L CA 0.323 55.119 54.840 -0.074 0.000 0.850 236 L CB 0.130 42.155 42.059 -0.057 0.000 0.966 236 L HN 0.155 nan 8.230 nan 0.000 0.454 237 C N -1.234 118.073 119.300 0.012 0.000 2.906 237 C HA 0.155 4.616 4.460 0.001 0.000 0.274 237 C C 1.543 176.568 174.990 0.059 0.000 1.257 237 C CA -0.594 58.474 59.018 0.083 0.000 1.695 237 C CB -0.718 27.125 27.740 0.172 0.000 1.958 237 C HN 0.297 nan 8.230 nan 0.000 0.619 238 R N 2.135 122.557 120.500 -0.131 0.000 2.577 238 R HA 0.269 4.610 4.340 0.001 0.000 0.269 238 R C -0.530 175.578 176.300 -0.321 0.000 1.084 238 R CA 0.187 55.980 56.100 -0.513 0.000 1.163 238 R CB 0.326 30.206 30.300 -0.700 0.000 1.100 238 R HN 0.446 nan 8.270 nan 0.000 0.547 239 N N 1.036 119.520 118.700 -0.361 0.000 4.497 239 N HA -0.143 4.597 4.740 0.001 0.000 0.341 239 N C -0.773 174.667 175.510 -0.115 0.000 1.998 239 N CA 0.491 53.420 53.050 -0.203 0.000 2.907 239 N CB -0.166 38.224 38.487 -0.162 0.000 0.374 239 N HN 0.723 nan 8.380 nan 0.000 0.762 240 K N 0.167 120.519 120.400 -0.080 0.000 2.399 240 K HA 0.188 4.508 4.320 0.001 0.000 0.196 240 K C -0.231 176.349 176.600 -0.034 0.000 1.103 240 K CA 0.180 56.442 56.287 -0.041 0.000 0.986 240 K CB 0.379 32.865 32.500 -0.023 0.000 0.952 240 K HN 0.338 nan 8.250 nan 0.000 0.541 241 N N 2.786 121.460 118.700 -0.043 0.000 2.816 241 N HA 0.210 4.950 4.740 0.001 0.000 0.236 241 N C -2.539 172.948 175.510 -0.039 0.000 1.076 241 N CA -0.830 52.199 53.050 -0.035 0.000 0.902 241 N CB 1.429 39.896 38.487 -0.034 0.000 1.149 241 N HN 0.154 nan 8.380 nan 0.000 0.506 242 P HA 0.407 nan 4.420 nan 0.000 0.284 242 P C -0.559 176.728 177.300 -0.023 0.000 1.287 242 P CA -0.513 62.574 63.100 -0.022 0.000 0.824 242 P CB 1.158 32.849 31.700 -0.015 0.000 1.180 243 A N 1.090 123.902 122.820 -0.013 0.000 2.366 243 A HA 0.453 4.773 4.320 0.001 0.000 0.249 243 A C -2.076 175.504 177.584 -0.007 0.000 1.084 243 A CA -1.123 50.908 52.037 -0.009 0.000 0.794 243 A CB -1.599 17.404 19.000 0.005 0.000 1.034 243 A HN 0.419 nan 8.150 nan 0.000 0.491 244 P HA 0.127 nan 4.420 nan 0.000 0.269 244 P C -2.402 174.901 177.300 0.005 0.000 1.211 244 P CA -0.406 62.693 63.100 -0.002 0.000 0.781 244 P CB -0.399 31.303 31.700 0.003 0.000 0.877 245 P HA 0.032 nan 4.420 nan 0.000 0.266 245 P C 1.046 178.352 177.300 0.010 0.000 1.195 245 P CA 0.271 63.376 63.100 0.008 0.000 0.768 245 P CB 0.295 32.002 31.700 0.011 0.000 0.838 246 L N 2.105 123.334 121.223 0.010 0.000 2.012 246 L HA -0.204 4.136 4.340 0.001 0.000 0.210 246 L C 1.942 178.819 176.870 0.011 0.000 1.073 246 L CA 2.017 56.863 54.840 0.011 0.000 0.748 246 L CB -0.697 41.368 42.059 0.009 0.000 0.891 246 L HN 0.537 nan 8.230 nan 0.000 0.431 247 D N -0.201 120.205 120.400 0.010 0.000 2.348 247 D HA -0.130 4.510 4.640 0.001 0.000 0.216 247 D C 1.806 178.113 176.300 0.011 0.000 0.970 247 D CA 1.103 55.109 54.000 0.010 0.000 0.889 247 D CB 0.134 40.939 40.800 0.009 0.000 0.912 247 D HN 0.291 nan 8.370 nan 0.000 0.524 248 A N 0.807 123.634 122.820 0.012 0.000 1.898 248 A HA 0.049 4.369 4.320 0.001 0.000 0.214 248 A C 2.502 180.094 177.584 0.013 0.000 1.183 248 A CA 0.869 52.914 52.037 0.012 0.000 0.622 248 A CB -0.542 18.466 19.000 0.012 0.000 0.824 248 A HN 0.156 nan 8.150 nan 0.000 0.444 249 V N 0.420 120.343 119.914 0.015 0.000 2.427 249 V HA -0.183 3.937 4.120 0.001 0.000 0.248 249 V C 2.460 178.564 176.094 0.017 0.000 1.051 249 V CA 1.952 64.263 62.300 0.019 0.000 1.048 249 V CB -0.696 31.140 31.823 0.022 0.000 0.666 249 V HN 0.465 nan 8.190 nan 0.000 0.456 250 E N -0.042 120.167 120.200 0.014 0.000 2.110 250 E HA -0.242 4.108 4.350 0.001 0.000 0.193 250 E C 2.192 178.799 176.600 0.012 0.000 0.988 250 E CA 1.234 57.642 56.400 0.013 0.000 0.804 250 E CB -0.181 29.526 29.700 0.011 0.000 0.745 250 E HN 0.699 nan 8.360 nan 0.000 0.458 251 Q N -0.060 119.747 119.800 0.012 0.000 2.187 251 Q HA -0.022 4.319 4.340 0.001 0.000 0.199 251 Q C 2.137 178.144 176.000 0.011 0.000 0.957 251 Q CA 0.596 56.405 55.803 0.011 0.000 0.857 251 Q CB 0.186 28.931 28.738 0.011 0.000 0.929 251 Q HN 0.257 nan 8.270 nan 0.000 0.453 252 I N 0.031 120.607 120.570 0.011 0.000 2.494 252 I HA -0.206 3.964 4.170 0.001 0.000 0.250 252 I C 2.140 178.265 176.117 0.013 0.000 1.112 252 I CA 0.274 61.580 61.300 0.010 0.000 1.438 252 I CB -0.159 37.846 38.000 0.009 0.000 1.111 252 I HN 0.208 nan 8.210 nan 0.000 0.431 253 L N 1.236 122.469 121.223 0.016 0.000 2.030 253 L HA -0.242 4.098 4.340 0.001 0.000 0.222 253 L C -0.261 176.621 176.870 0.020 0.000 1.082 253 L CA 2.295 57.146 54.840 0.018 0.000 0.785 253 L CB -1.831 40.239 42.059 0.018 0.000 0.895 253 L HN 0.190 nan 8.230 nan 0.000 0.439 254 P HA -0.139 nan 4.420 nan 0.000 0.216 254 P C 1.490 178.804 177.300 0.024 0.000 1.150 254 P CA 1.537 64.649 63.100 0.021 0.000 0.837 254 P CB -0.023 31.686 31.700 0.015 0.000 0.786 255 T N -0.688 113.877 114.554 0.019 0.000 2.896 255 T HA -0.056 4.294 4.350 0.001 0.000 0.263 255 T C 1.626 176.338 174.700 0.020 0.000 1.050 255 T CA 0.569 62.679 62.100 0.016 0.000 1.140 255 T CB -0.805 68.067 68.868 0.007 0.000 0.877 255 T HN -0.029 nan 8.240 nan 0.000 0.457 256 L N 1.542 122.776 121.223 0.018 0.000 2.046 256 L HA -0.013 4.327 4.340 0.001 0.000 0.208 256 L C 2.446 179.335 176.870 0.031 0.000 1.077 256 L CA 1.422 56.271 54.840 0.016 0.000 0.747 256 L CB -0.829 41.237 42.059 0.012 0.000 0.896 256 L HN 0.065 nan 8.230 nan 0.000 0.432 257 V N -0.287 119.655 119.914 0.047 0.000 2.332 257 V HA -0.322 3.798 4.120 0.001 0.000 0.248 257 V C 2.774 178.970 176.094 0.170 0.000 1.055 257 V CA 2.123 64.477 62.300 0.091 0.000 1.038 257 V CB -0.668 31.209 31.823 0.090 0.000 0.651 257 V HN 0.496 nan 8.190 nan 0.000 0.450 258 R N -0.455 120.115 120.500 0.116 0.000 2.096 258 R HA -0.104 4.237 4.340 0.001 0.000 0.235 258 R C 2.199 178.579 176.300 0.134 0.000 1.127 258 R CA 1.435 57.608 56.100 0.123 0.000 0.968 258 R CB -0.226 30.108 30.300 0.057 0.000 0.861 258 R HN 0.455 nan 8.270 nan 0.000 0.440 259 L N 0.213 121.481 121.223 0.076 0.000 2.217 259 L HA -0.113 4.227 4.340 0.001 0.000 0.211 259 L C 1.998 178.912 176.870 0.073 0.000 1.107 259 L CA 0.239 55.114 54.840 0.057 0.000 0.783 259 L CB -0.210 41.854 42.059 0.009 0.000 0.919 259 L HN 0.220 nan 8.230 nan 0.000 0.442 260 L N -1.020 120.222 121.223 0.031 0.000 2.549 260 L HA -0.145 4.195 4.340 0.001 0.000 0.229 260 L C 1.816 178.569 176.870 -0.195 0.000 1.158 260 L CA 1.576 56.364 54.840 -0.087 0.000 0.842 260 L CB -0.663 41.310 42.059 -0.143 0.000 0.952 260 L HN 0.300 nan 8.230 nan 0.000 0.452 261 H N -3.001 116.096 119.070 0.044 0.000 2.672 261 H HA 0.173 4.729 4.556 0.001 0.000 0.277 261 H C -0.098 175.276 175.328 0.076 0.000 1.074 261 H CA -0.267 55.806 56.048 0.041 0.000 1.173 261 H CB 0.208 29.988 29.762 0.031 0.000 1.558 261 H HN 0.313 nan 8.280 nan 0.000 0.539 262 H N 1.989 121.102 119.070 0.072 0.000 2.607 262 H HA -0.004 4.552 4.556 0.001 0.000 0.367 262 H C 1.089 176.432 175.328 0.025 0.000 1.181 262 H CA -0.019 56.057 56.048 0.047 0.000 1.402 262 H CB 0.843 30.625 29.762 0.033 0.000 1.474 262 H HN 0.226 nan 8.280 nan 0.000 0.596 263 N N 0.751 119.091 118.700 -0.600 0.000 2.313 263 N HA 0.004 4.745 4.740 0.001 0.000 0.207 263 N C -0.958 174.395 175.510 -0.261 0.000 1.141 263 N CA -0.222 52.618 53.050 -0.349 0.000 0.830 263 N CB 0.163 38.472 38.487 -0.297 0.000 1.008 263 N HN 0.452 nan 8.380 nan 0.000 0.481 264 D N 0.250 120.556 120.400 -0.156 0.000 2.193 264 D HA 0.266 4.906 4.640 0.001 0.000 0.244 264 D C -1.434 174.884 176.300 0.029 0.000 1.064 264 D CA -2.458 51.548 54.000 0.010 0.000 0.845 264 D CB 1.880 42.784 40.800 0.172 0.000 1.148 264 D HN -0.070 nan 8.370 nan 0.000 0.464 265 P HA -0.178 nan 4.420 nan 0.000 0.218 265 P C 0.610 177.924 177.300 0.024 0.000 1.148 265 P CA 1.202 64.304 63.100 0.003 0.000 0.822 265 P CB 0.444 32.141 31.700 -0.004 0.000 0.784 266 E N -0.218 120.005 120.200 0.037 0.000 2.051 266 E HA -0.057 4.293 4.350 0.001 0.000 0.189 266 E C 2.232 178.873 176.600 0.068 0.000 0.979 266 E CA 0.777 57.205 56.400 0.047 0.000 0.803 266 E CB -0.524 29.189 29.700 0.022 0.000 0.761 266 E HN 0.056 nan 8.360 nan 0.000 0.451 267 V N 1.964 121.927 119.914 0.082 0.000 2.392 267 V HA -0.256 3.864 4.120 0.001 0.000 0.249 267 V C 2.358 178.493 176.094 0.067 0.000 1.059 267 V CA 1.440 63.792 62.300 0.086 0.000 1.051 267 V CB -0.446 31.465 31.823 0.145 0.000 0.658 267 V HN 0.229 nan 8.190 nan 0.000 0.455 268 L N -0.237 121.017 121.223 0.051 0.000 2.027 268 L HA -0.105 4.235 4.340 0.001 0.000 0.206 268 L C 2.755 179.605 176.870 -0.033 0.000 1.074 268 L CA 1.535 56.374 54.840 -0.003 0.000 0.745 268 L CB -0.817 41.227 42.059 -0.025 0.000 0.898 268 L HN 0.340 nan 8.230 nan 0.000 0.433 269 A N -0.135 122.682 122.820 -0.006 0.000 1.883 269 A HA -0.248 4.072 4.320 0.001 0.000 0.217 269 A C 1.938 179.572 177.584 0.082 0.000 1.186 269 A CA 2.126 54.151 52.037 -0.021 0.000 0.624 269 A CB -0.576 18.472 19.000 0.079 0.000 0.822 269 A HN 0.356 nan 8.150 nan 0.000 0.444 270 D N -0.475 120.044 120.400 0.199 0.000 2.178 270 D HA -0.046 4.595 4.640 0.001 0.000 0.202 270 D C 2.268 178.644 176.300 0.127 0.000 0.974 270 D CA 1.328 55.493 54.000 0.274 0.000 0.841 270 D CB -0.234 40.701 40.800 0.224 0.000 0.953 270 D HN 0.354 nan 8.370 nan 0.000 0.478 271 S N -0.351 115.372 115.700 0.039 0.000 2.368 271 S HA -0.141 4.330 4.470 0.001 0.000 0.225 271 S C 2.249 176.805 174.600 -0.073 0.000 1.030 271 S CA 0.635 58.827 58.200 -0.013 0.000 0.999 271 S CB -0.264 62.922 63.200 -0.024 0.000 0.844 271 S HN 0.373 nan 8.310 nan 0.000 0.459 272 C N 0.124 119.343 119.300 -0.135 0.000 2.436 272 C HA -0.108 4.353 4.460 0.001 0.000 0.277 272 C C 2.243 177.058 174.990 -0.293 0.000 1.241 272 C CA 0.312 59.183 59.018 -0.245 0.000 1.721 272 C CB -1.634 25.887 27.740 -0.365 0.000 2.043 272 C HN 0.757 nan 8.230 nan 0.000 0.472 273 W N 0.933 122.066 121.300 -0.278 0.000 2.318 273 W HA -0.221 4.439 4.660 0.001 0.000 0.313 273 W C 2.685 178.617 176.519 -0.978 0.000 1.221 273 W CA 1.299 58.305 57.345 -0.564 0.000 1.266 273 W CB -0.578 28.629 29.460 -0.421 0.000 1.150 273 W HN 0.336 nan 8.180 nan 0.000 0.496 274 A N 0.165 122.808 122.820 -0.295 0.000 1.865 274 A HA -0.228 4.092 4.320 0.001 0.000 0.217 274 A C 1.847 179.367 177.584 -0.108 0.000 1.191 274 A CA 1.889 53.827 52.037 -0.166 0.000 0.623 274 A CB -0.932 18.064 19.000 -0.007 0.000 0.826 274 A HN 0.195 nan 8.150 nan 0.000 0.444 275 I N 1.155 121.662 120.570 -0.105 0.000 2.286 275 I HA -0.209 3.961 4.170 0.001 0.000 0.248 275 I C 2.831 178.920 176.117 -0.047 0.000 1.115 275 I CA 2.031 63.296 61.300 -0.059 0.000 1.392 275 I CB -1.433 36.521 38.000 -0.076 0.000 1.065 275 I HN 0.558 nan 8.210 nan 0.000 0.418 276 S N 0.662 116.293 115.700 -0.116 0.000 2.383 276 S HA -0.197 4.273 4.470 0.001 0.000 0.227 276 S C 2.113 176.789 174.600 0.126 0.000 1.026 276 S CA 0.856 59.038 58.200 -0.029 0.000 0.981 276 S CB -0.773 62.384 63.200 -0.072 0.000 0.818 276 S HN 0.322 nan 8.310 nan 0.000 0.472 277 Y N 2.278 122.649 120.300 0.118 0.000 2.114 277 Y HA 0.145 4.696 4.550 0.001 0.000 0.284 277 Y C 2.396 178.328 175.900 0.053 0.000 1.143 277 Y CA 0.063 58.215 58.100 0.086 0.000 1.135 277 Y CB -1.180 37.319 38.460 0.065 0.000 0.980 277 Y HN 0.205 nan 8.280 nan 0.000 0.499 278 L N -0.115 121.232 121.223 0.206 0.000 2.353 278 L HA -0.154 4.186 4.340 0.001 0.000 0.220 278 L C 1.817 178.738 176.870 0.086 0.000 1.133 278 L CA 1.810 56.720 54.840 0.116 0.000 0.798 278 L CB -0.988 41.118 42.059 0.078 0.000 0.922 278 L HN 0.366 nan 8.230 nan 0.000 0.445 279 T N -5.484 109.123 114.554 0.089 0.000 3.122 279 T HA 0.026 4.377 4.350 0.001 0.000 0.250 279 T C 0.447 175.201 174.700 0.090 0.000 1.067 279 T CA -0.350 61.791 62.100 0.069 0.000 0.966 279 T CB -0.101 68.795 68.868 0.046 0.000 1.002 279 T HN 0.006 nan 8.240 nan 0.000 0.542 280 D N 1.128 121.598 120.400 0.116 0.000 2.479 280 D HA 0.579 5.219 4.640 0.001 0.000 0.218 280 D C 0.509 176.860 176.300 0.084 0.000 1.131 280 D CA 0.198 54.270 54.000 0.121 0.000 0.916 280 D CB 0.142 41.033 40.800 0.152 0.000 1.022 280 D HN 0.525 nan 8.370 nan 0.000 0.515 281 G N 2.891 111.732 108.800 0.068 0.000 2.368 281 G HA2 0.132 4.093 3.960 0.001 0.000 0.269 281 G HA3 0.132 4.093 3.960 0.001 0.000 0.269 281 G C -2.641 172.280 174.900 0.035 0.000 1.291 281 G CA -0.904 44.224 45.100 0.046 0.000 0.903 281 G HN 0.329 nan 8.290 nan 0.000 0.483 282 P HA 0.162 nan 4.420 nan 0.000 0.269 282 P C 0.754 178.062 177.300 0.015 0.000 1.211 282 P CA 0.077 63.187 63.100 0.017 0.000 0.781 282 P CB 0.291 31.998 31.700 0.013 0.000 0.877 283 N N 0.694 119.399 118.700 0.008 0.000 2.381 283 N HA -0.163 4.577 4.740 0.001 0.000 0.182 283 N C 1.030 176.542 175.510 0.004 0.000 1.025 283 N CA 0.586 53.638 53.050 0.003 0.000 0.888 283 N CB -0.060 38.425 38.487 -0.004 0.000 0.965 283 N HN 0.497 nan 8.380 nan 0.000 0.438 284 E N 1.049 121.252 120.200 0.006 0.000 2.110 284 E HA -0.069 4.281 4.350 0.001 0.000 0.193 284 E C 1.925 178.530 176.600 0.009 0.000 0.988 284 E CA 0.796 57.200 56.400 0.006 0.000 0.804 284 E CB 0.059 29.763 29.700 0.006 0.000 0.745 284 E HN 0.214 nan 8.360 nan 0.000 0.458 285 R N 0.186 120.695 120.500 0.014 0.000 2.075 285 R HA -0.017 4.323 4.340 0.001 0.000 0.232 285 R C 2.420 178.732 176.300 0.020 0.000 1.126 285 R CA 0.981 57.093 56.100 0.020 0.000 0.963 285 R CB -0.599 29.717 30.300 0.027 0.000 0.858 285 R HN 0.298 nan 8.270 nan 0.000 0.435 286 I N 0.741 121.321 120.570 0.017 0.000 2.226 286 I HA -0.249 3.921 4.170 0.001 0.000 0.245 286 I C 2.418 178.538 176.117 0.005 0.000 1.100 286 I CA 1.249 62.556 61.300 0.012 0.000 1.374 286 I CB -0.320 37.683 38.000 0.005 0.000 1.057 286 I HN 0.092 nan 8.210 nan 0.000 0.413 287 E N 1.281 121.483 120.200 0.003 0.000 2.118 287 E HA -0.224 4.127 4.350 0.001 0.000 0.195 287 E C 2.204 178.806 176.600 0.004 0.000 0.992 287 E CA 1.550 57.950 56.400 0.001 0.000 0.804 287 E CB -0.186 29.513 29.700 -0.000 0.000 0.741 287 E HN 0.357 nan 8.360 nan 0.000 0.458 288 M N -0.806 118.799 119.600 0.008 0.000 2.108 288 M HA -0.179 4.302 4.480 0.001 0.000 0.261 288 M C 2.054 178.360 176.300 0.010 0.000 1.066 288 M CA 1.327 56.633 55.300 0.010 0.000 1.107 288 M CB -0.156 32.452 32.600 0.014 0.000 1.356 288 M HN 0.068 nan 8.290 nan 0.000 0.406 289 V N -0.857 119.063 119.914 0.010 0.000 2.273 289 V HA -0.161 3.959 4.120 0.001 0.000 0.242 289 V C 2.313 178.409 176.094 0.004 0.000 1.035 289 V CA 1.281 63.586 62.300 0.008 0.000 1.013 289 V CB -0.625 31.202 31.823 0.007 0.000 0.652 289 V HN 0.227 nan 8.190 nan 0.000 0.452 290 V N 0.034 119.948 119.914 -0.000 0.000 2.380 290 V HA -0.281 3.840 4.120 0.001 0.000 0.251 290 V C 2.451 178.544 176.094 -0.000 0.000 1.063 290 V CA 2.116 64.414 62.300 -0.004 0.000 1.055 290 V CB -0.675 31.142 31.823 -0.009 0.000 0.657 290 V HN 0.437 nan 8.190 nan 0.000 0.455 291 K N 0.120 120.521 120.400 0.002 0.000 2.515 291 K HA -0.071 4.250 4.320 0.001 0.000 0.196 291 K C 1.626 178.230 176.600 0.007 0.000 1.038 291 K CA 0.823 57.111 56.287 0.003 0.000 0.967 291 K CB -0.088 32.413 32.500 0.003 0.000 0.780 291 K HN 0.250 nan 8.250 nan 0.000 0.483 292 K N -0.779 119.627 120.400 0.011 0.000 2.404 292 K HA 0.168 4.489 4.320 0.001 0.000 0.194 292 K C 0.498 177.113 176.600 0.025 0.000 1.023 292 K CA 0.645 56.943 56.287 0.018 0.000 1.094 292 K CB 0.283 32.796 32.500 0.021 0.000 0.841 292 K HN 0.258 nan 8.250 nan 0.000 0.523 293 G N 2.047 110.859 108.800 0.019 0.000 2.249 293 G HA2 -0.269 3.692 3.960 0.001 0.000 0.273 293 G HA3 -0.269 3.692 3.960 0.001 0.000 0.273 293 G C 0.705 175.628 174.900 0.039 0.000 1.036 293 G CA 0.578 45.692 45.100 0.024 0.000 0.824 293 G HN 0.278 nan 8.290 nan 0.000 0.504 294 V N -3.152 116.776 119.914 0.025 0.000 3.608 294 V HA 0.232 4.353 4.120 0.001 0.000 0.269 294 V C 2.251 178.335 176.094 -0.018 0.000 1.245 294 V CA 1.365 63.672 62.300 0.012 0.000 1.138 294 V CB 0.211 32.030 31.823 -0.007 0.000 0.841 294 V HN 0.279 nan 8.190 nan 0.000 0.451 295 V N 1.092 120.999 119.914 -0.013 0.000 2.287 295 V HA -0.113 4.008 4.120 0.001 0.000 0.248 295 V C 0.505 176.585 176.094 -0.023 0.000 1.053 295 V CA 2.956 65.242 62.300 -0.024 0.000 1.027 295 V CB -1.662 30.149 31.823 -0.020 0.000 0.646 295 V HN 0.509 nan 8.190 nan 0.000 0.447 296 P HA -0.194 nan 4.420 nan 0.000 0.215 296 P C 1.760 179.050 177.300 -0.016 0.000 1.157 296 P CA 1.389 64.488 63.100 -0.003 0.000 0.868 296 P CB -0.025 31.686 31.700 0.018 0.000 0.788 297 Q N -0.411 119.373 119.800 -0.025 0.000 2.170 297 Q HA -0.115 4.226 4.340 0.001 0.000 0.203 297 Q C 1.935 177.864 176.000 -0.118 0.000 0.976 297 Q CA 1.548 57.294 55.803 -0.096 0.000 0.858 297 Q CB -1.201 27.398 28.738 -0.233 0.000 0.907 297 Q HN 0.195 nan 8.270 nan 0.000 0.433 298 L N -1.137 120.028 121.223 -0.097 0.000 2.109 298 L HA -0.110 4.230 4.340 0.001 0.000 0.207 298 L C 2.186 179.005 176.870 -0.084 0.000 1.086 298 L CA 0.679 55.458 54.840 -0.101 0.000 0.760 298 L CB -0.404 41.603 42.059 -0.087 0.000 0.910 298 L HN 0.085 nan 8.230 nan 0.000 0.437 299 V N 0.332 120.211 119.914 -0.058 0.000 2.407 299 V HA -0.303 3.817 4.120 0.001 0.000 0.248 299 V C 2.565 178.627 176.094 -0.052 0.000 1.055 299 V CA 1.899 64.173 62.300 -0.043 0.000 1.049 299 V CB -0.532 31.277 31.823 -0.022 0.000 0.662 299 V HN 0.466 nan 8.190 nan 0.000 0.455 300 K N 0.189 120.557 120.400 -0.053 0.000 2.025 300 K HA -0.110 4.210 4.320 0.001 0.000 0.207 300 K C 2.091 178.648 176.600 -0.072 0.000 1.049 300 K CA 1.461 57.717 56.287 -0.052 0.000 0.933 300 K CB -0.208 32.267 32.500 -0.042 0.000 0.714 300 K HN 0.404 nan 8.250 nan 0.000 0.438 301 L N 1.257 122.424 121.223 -0.093 0.000 2.265 301 L HA -0.140 4.201 4.340 0.001 0.000 0.215 301 L C 2.345 179.147 176.870 -0.114 0.000 1.117 301 L CA 0.075 54.851 54.840 -0.107 0.000 0.782 301 L CB -0.355 41.625 42.059 -0.132 0.000 0.914 301 L HN 0.242 nan 8.230 nan 0.000 0.441 302 L N 0.300 121.457 121.223 -0.111 0.000 2.191 302 L HA -0.058 4.283 4.340 0.001 0.000 0.212 302 L C 2.013 178.807 176.870 -0.126 0.000 1.103 302 L CA 1.621 56.384 54.840 -0.128 0.000 0.769 302 L CB -0.738 41.253 42.059 -0.113 0.000 0.908 302 L HN 0.117 nan 8.230 nan 0.000 0.438 303 G N -1.338 107.404 108.800 -0.098 0.000 3.284 303 G HA2 0.350 4.310 3.960 0.001 0.000 0.236 303 G HA3 0.350 4.310 3.960 0.001 0.000 0.236 303 G C 0.633 175.487 174.900 -0.076 0.000 1.158 303 G CA 0.259 45.307 45.100 -0.086 0.000 0.774 303 G HN 0.563 nan 8.290 nan 0.000 0.545 304 A N -0.363 122.408 122.820 -0.082 0.000 2.507 304 A HA 0.413 4.734 4.320 0.001 0.000 0.235 304 A C 1.621 179.168 177.584 -0.062 0.000 1.070 304 A CA 0.710 52.705 52.037 -0.070 0.000 0.768 304 A CB 0.328 19.280 19.000 -0.079 0.000 1.011 304 A HN 0.138 nan 8.150 nan 0.000 0.502 305 T N 0.827 115.352 114.554 -0.048 0.000 2.942 305 T HA 0.010 4.360 4.350 0.001 0.000 0.265 305 T C 0.310 174.988 174.700 -0.036 0.000 1.062 305 T CA 1.475 63.552 62.100 -0.038 0.000 1.139 305 T CB -0.202 68.648 68.868 -0.029 0.000 0.883 305 T HN 0.746 nan 8.240 nan 0.000 0.468 306 E N 1.582 121.760 120.200 -0.038 0.000 2.180 306 E HA 0.252 4.603 4.350 0.001 0.000 0.283 306 E C 0.722 177.299 176.600 -0.037 0.000 1.061 306 E CA -0.227 56.155 56.400 -0.030 0.000 0.861 306 E CB 0.970 30.655 29.700 -0.025 0.000 1.056 306 E HN 0.015 nan 8.360 nan 0.000 0.407 307 L N 6.511 127.719 121.223 -0.025 0.000 2.043 307 L HA -0.112 4.229 4.340 0.001 0.000 0.212 307 L C -1.020 175.837 176.870 -0.021 0.000 1.075 307 L CA 2.033 56.858 54.840 -0.025 0.000 0.752 307 L CB -0.689 41.368 42.059 -0.004 0.000 0.891 307 L HN 0.516 nan 8.230 nan 0.000 0.432 308 P HA -0.146 nan 4.420 nan 0.000 0.221 308 P C 1.693 178.976 177.300 -0.028 0.000 1.145 308 P CA 1.536 64.660 63.100 0.040 0.000 0.795 308 P CB 0.027 31.761 31.700 0.057 0.000 0.775 309 I N -2.240 118.285 120.570 -0.075 0.000 2.729 309 I HA -0.094 4.076 4.170 0.001 0.000 0.256 309 I C 2.060 178.061 176.117 -0.194 0.000 1.115 309 I CA 0.632 61.850 61.300 -0.137 0.000 1.446 309 I CB -0.646 37.294 38.000 -0.100 0.000 1.176 309 I HN -0.241 nan 8.210 nan 0.000 0.446 310 V N 0.986 120.811 119.914 -0.148 0.000 2.332 310 V HA -0.302 3.818 4.120 0.001 0.000 0.248 310 V C 2.545 178.520 176.094 -0.198 0.000 1.055 310 V CA 2.512 64.716 62.300 -0.160 0.000 1.038 310 V CB -1.137 30.611 31.823 -0.124 0.000 0.651 310 V HN 0.449 nan 8.190 nan 0.000 0.450 311 T N 0.900 115.343 114.554 -0.185 0.000 2.607 311 T HA -0.122 4.228 4.350 0.001 0.000 0.267 311 T C 0.162 174.604 174.700 -0.430 0.000 1.049 311 T CA 2.327 64.306 62.100 -0.201 0.000 1.162 311 T CB -1.276 67.550 68.868 -0.070 0.000 0.863 311 T HN 0.528 nan 8.240 nan 0.000 0.424 312 P HA 0.060 nan 4.420 nan 0.000 0.219 312 P C 1.308 178.229 177.300 -0.631 0.000 1.150 312 P CA 1.200 63.531 63.100 -1.283 0.000 0.814 312 P CB -0.103 30.325 31.700 -2.120 0.000 0.787 313 A N 0.456 123.017 122.820 -0.432 0.000 1.873 313 A HA -0.144 4.177 4.320 0.001 0.000 0.215 313 A C 2.231 179.703 177.584 -0.187 0.000 1.186 313 A CA 1.442 53.318 52.037 -0.268 0.000 0.616 313 A CB -1.676 17.195 19.000 -0.216 0.000 0.823 313 A HN 0.179 nan 8.150 nan 0.000 0.442 314 L N -0.068 121.050 121.223 -0.175 0.000 2.079 314 L HA -0.152 4.188 4.340 0.001 0.000 0.210 314 L C 2.358 179.218 176.870 -0.017 0.000 1.081 314 L CA 2.545 57.325 54.840 -0.100 0.000 0.752 314 L CB -0.650 41.344 42.059 -0.107 0.000 0.896 314 L HN 0.425 nan 8.230 nan 0.000 0.433 315 R N 0.162 120.632 120.500 -0.049 0.000 2.073 315 R HA -0.060 4.281 4.340 0.001 0.000 0.234 315 R C 2.148 178.486 176.300 0.064 0.000 1.134 315 R CA 1.785 57.923 56.100 0.062 0.000 0.952 315 R CB -0.977 29.306 30.300 -0.028 0.000 0.850 315 R HN 0.467 nan 8.270 nan 0.000 0.433 316 A N 1.048 123.839 122.820 -0.048 0.000 1.858 316 A HA -0.114 4.207 4.320 0.001 0.000 0.216 316 A C 2.150 179.725 177.584 -0.016 0.000 1.190 316 A CA 1.654 53.670 52.037 -0.035 0.000 0.617 316 A CB -0.638 18.306 19.000 -0.093 0.000 0.827 316 A HN 0.320 nan 8.150 nan 0.000 0.443 317 I N 0.147 120.698 120.570 -0.032 0.000 2.248 317 I HA -0.234 3.937 4.170 0.001 0.000 0.248 317 I C 2.627 178.716 176.117 -0.047 0.000 1.107 317 I CA 1.679 62.962 61.300 -0.027 0.000 1.373 317 I CB -1.928 36.071 38.000 -0.002 0.000 1.055 317 I HN 0.387 nan 8.210 nan 0.000 0.418 318 G N 0.811 109.595 108.800 -0.027 0.000 2.408 318 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 318 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 318 G C 1.525 176.267 174.900 -0.263 0.000 1.150 318 G CA 0.392 45.368 45.100 -0.205 0.000 0.776 318 G HN 0.337 nan 8.290 nan 0.000 0.542 319 N N 0.829 119.542 118.700 0.022 0.000 2.109 319 N HA -0.021 4.720 4.740 0.001 0.000 0.188 319 N C 2.291 177.790 175.510 -0.019 0.000 1.034 319 N CA 0.724 53.821 53.050 0.077 0.000 0.846 319 N CB -0.321 38.248 38.487 0.137 0.000 1.010 319 N HN 0.308 nan 8.380 nan 0.000 0.425 320 I N 1.332 121.884 120.570 -0.030 0.000 2.315 320 I HA -0.206 3.965 4.170 0.001 0.000 0.251 320 I C 1.780 177.850 176.117 -0.079 0.000 1.125 320 I CA 1.005 62.279 61.300 -0.043 0.000 1.392 320 I CB -0.335 37.640 38.000 -0.041 0.000 1.065 320 I HN 0.013 nan 8.210 nan 0.000 0.424 321 V N -2.000 117.835 119.914 -0.132 0.000 3.620 321 V HA 0.050 4.170 4.120 0.001 0.000 0.286 321 V C 1.720 177.703 176.094 -0.185 0.000 1.288 321 V CA 1.074 63.274 62.300 -0.167 0.000 1.178 321 V CB -1.292 30.401 31.823 -0.218 0.000 0.986 321 V HN 0.507 nan 8.190 nan 0.000 0.431 322 T N -3.275 111.191 114.554 -0.148 0.000 3.086 322 T HA 0.422 4.772 4.350 0.001 0.000 0.250 322 T C 1.102 175.764 174.700 -0.063 0.000 1.074 322 T CA 0.523 62.555 62.100 -0.113 0.000 0.988 322 T CB 0.305 69.147 68.868 -0.043 0.000 0.988 322 T HN 0.641 nan 8.240 nan 0.000 0.530 323 G N 1.981 110.745 108.800 -0.059 0.000 2.714 323 G HA2 0.466 4.426 3.960 0.001 0.000 0.197 323 G HA3 0.466 4.426 3.960 0.001 0.000 0.197 323 G C 0.233 175.106 174.900 -0.044 0.000 1.449 323 G CA -0.051 45.026 45.100 -0.039 0.000 1.065 323 G HN 0.539 nan 8.290 nan 0.000 0.575 324 T N -1.661 112.872 114.554 -0.035 0.000 2.802 324 T HA 0.149 4.499 4.350 0.001 0.000 0.305 324 T C 0.588 175.262 174.700 -0.044 0.000 1.053 324 T CA 0.199 62.278 62.100 -0.035 0.000 1.058 324 T CB 0.989 69.841 68.868 -0.026 0.000 0.988 324 T HN 0.288 nan 8.240 nan 0.000 0.539 325 D N 0.779 121.153 120.400 -0.043 0.000 2.264 325 D HA -0.045 4.595 4.640 0.001 0.000 0.208 325 D C 1.762 178.034 176.300 -0.046 0.000 0.966 325 D CA 0.888 54.858 54.000 -0.050 0.000 0.864 325 D CB 0.049 40.821 40.800 -0.047 0.000 0.933 325 D HN 0.660 nan 8.370 nan 0.000 0.499 326 E N 0.785 120.963 120.200 -0.037 0.000 2.072 326 E HA -0.094 4.256 4.350 0.001 0.000 0.190 326 E C 2.141 178.720 176.600 -0.035 0.000 0.982 326 E CA 0.723 57.104 56.400 -0.032 0.000 0.803 326 E CB -0.175 29.510 29.700 -0.025 0.000 0.755 326 E HN 0.368 nan 8.360 nan 0.000 0.453 327 Q N -0.183 119.595 119.800 -0.036 0.000 2.079 327 Q HA -0.078 4.262 4.340 0.001 0.000 0.200 327 Q C 2.093 178.063 176.000 -0.050 0.000 0.974 327 Q CA 1.633 57.413 55.803 -0.037 0.000 0.840 327 Q CB -0.186 28.531 28.738 -0.034 0.000 0.898 327 Q HN 0.220 nan 8.270 nan 0.000 0.430 328 T N 0.980 115.496 114.554 -0.062 0.000 2.720 328 T HA -0.219 4.131 4.350 0.001 0.000 0.268 328 T C 1.769 176.423 174.700 -0.076 0.000 1.037 328 T CA 1.575 63.626 62.100 -0.082 0.000 1.144 328 T CB -0.221 68.591 68.868 -0.094 0.000 0.864 328 T HN 0.171 nan 8.240 nan 0.000 0.444 329 Q N 1.201 120.964 119.800 -0.062 0.000 2.152 329 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 329 Q C 2.130 178.102 176.000 -0.046 0.000 0.985 329 Q CA 1.504 57.275 55.803 -0.053 0.000 0.863 329 Q CB -0.191 28.521 28.738 -0.042 0.000 0.904 329 Q HN 0.229 nan 8.270 nan 0.000 0.422 330 K N -0.290 120.085 120.400 -0.041 0.000 2.063 330 K HA -0.125 4.195 4.320 0.001 0.000 0.208 330 K C 2.079 178.657 176.600 -0.037 0.000 1.048 330 K CA 1.624 57.892 56.287 -0.033 0.000 0.928 330 K CB -1.086 31.397 32.500 -0.029 0.000 0.713 330 K HN 0.424 nan 8.250 nan 0.000 0.442 331 V N -1.003 118.881 119.914 -0.050 0.000 2.379 331 V HA -0.146 3.974 4.120 0.001 0.000 0.245 331 V C 2.243 178.300 176.094 -0.061 0.000 1.044 331 V CA 1.165 63.434 62.300 -0.052 0.000 1.036 331 V CB -0.675 31.110 31.823 -0.063 0.000 0.664 331 V HN 0.109 nan 8.190 nan 0.000 0.453 332 I N 0.828 121.351 120.570 -0.079 0.000 2.179 332 I HA -0.186 3.985 4.170 0.001 0.000 0.242 332 I C 2.570 178.661 176.117 -0.044 0.000 1.088 332 I CA 2.144 63.392 61.300 -0.088 0.000 1.357 332 I CB -0.748 37.201 38.000 -0.085 0.000 1.051 332 I HN 0.290 nan 8.210 nan 0.000 0.409 333 D N 1.287 121.670 120.400 -0.030 0.000 2.144 333 D HA -0.149 4.491 4.640 0.001 0.000 0.199 333 D C 2.258 178.554 176.300 -0.006 0.000 0.984 333 D CA 1.570 55.563 54.000 -0.011 0.000 0.834 333 D CB -0.125 40.668 40.800 -0.013 0.000 0.955 333 D HN 0.358 nan 8.370 nan 0.000 0.465 334 A N 0.084 122.895 122.820 -0.014 0.000 2.024 334 A HA 0.069 4.389 4.320 0.001 0.000 0.220 334 A C 1.942 179.524 177.584 -0.003 0.000 1.164 334 A CA 2.192 54.224 52.037 -0.009 0.000 0.643 334 A CB -0.362 18.629 19.000 -0.015 0.000 0.806 334 A HN 0.371 nan 8.150 nan 0.000 0.451 335 G N -3.072 105.724 108.800 -0.006 0.000 2.184 335 G HA2 0.072 4.033 3.960 0.001 0.000 0.206 335 G HA3 0.072 4.033 3.960 0.001 0.000 0.206 335 G C 1.181 176.074 174.900 -0.011 0.000 0.995 335 G CA 1.041 46.145 45.100 0.007 0.000 0.651 335 G HN 1.365 nan 8.290 nan 0.000 0.511 336 A N 0.660 123.469 122.820 -0.018 0.000 1.896 336 A HA -0.042 4.278 4.320 0.001 0.000 0.220 336 A C 2.469 180.091 177.584 0.063 0.000 1.206 336 A CA 2.099 54.160 52.037 0.039 0.000 0.647 336 A CB -0.610 18.420 19.000 0.050 0.000 0.828 336 A HN 1.038 nan 8.150 nan 0.000 0.455 337 L N -1.049 120.065 121.223 -0.181 0.000 2.151 337 L HA -0.319 4.022 4.340 0.001 0.000 0.215 337 L C 2.995 179.733 176.870 -0.220 0.000 1.084 337 L CA 1.181 55.783 54.840 -0.398 0.000 0.764 337 L CB -0.619 40.890 42.059 -0.917 0.000 0.891 337 L HN 0.523 nan 8.230 nan 0.000 0.435 338 A N -0.604 122.150 122.820 -0.109 0.000 2.019 338 A HA -0.097 4.223 4.320 0.001 0.000 0.219 338 A C 2.115 179.730 177.584 0.051 0.000 1.164 338 A CA 1.404 53.491 52.037 0.082 0.000 0.644 338 A CB -0.494 18.579 19.000 0.122 0.000 0.805 338 A HN 0.272 nan 8.150 nan 0.000 0.449 339 V N -1.419 118.528 119.914 0.054 0.000 3.380 339 V HA -0.078 4.042 4.120 0.001 0.000 0.268 339 V C 1.814 177.812 176.094 -0.160 0.000 1.168 339 V CA 0.877 63.146 62.300 -0.051 0.000 1.156 339 V CB -1.115 30.646 31.823 -0.104 0.000 0.785 339 V HN 0.517 nan 8.190 nan 0.000 0.487 340 F N 0.345 120.178 119.950 -0.194 0.000 2.367 340 F HA 0.078 4.605 4.527 0.001 0.000 0.298 340 F C -0.034 175.515 175.800 -0.420 0.000 1.094 340 F CA 0.408 58.264 58.000 -0.239 0.000 1.409 340 F CB -1.733 37.145 39.000 -0.202 0.000 1.064 340 F HN 0.292 nan 8.300 nan 0.000 0.528 341 P HA -0.142 nan 4.420 nan 0.000 0.216 341 P C 1.880 178.840 177.300 -0.567 0.000 1.150 341 P CA 1.726 64.135 63.100 -1.153 0.000 0.837 341 P CB 0.057 31.319 31.700 -0.730 0.000 0.786 342 S N -1.019 114.508 115.700 -0.288 0.000 2.335 342 S HA -0.058 4.413 4.470 0.001 0.000 0.217 342 S C 1.767 176.266 174.600 -0.170 0.000 1.032 342 S CA 0.990 59.092 58.200 -0.162 0.000 0.985 342 S CB -1.109 62.011 63.200 -0.134 0.000 0.896 342 S HN 0.041 nan 8.310 nan 0.000 0.445 343 L N 1.268 122.332 121.223 -0.266 0.000 2.081 343 L HA -0.127 4.213 4.340 0.001 0.000 0.212 343 L C 1.989 178.765 176.870 -0.158 0.000 1.080 343 L CA 1.065 55.733 54.840 -0.286 0.000 0.754 343 L CB -0.597 41.105 42.059 -0.596 0.000 0.893 343 L HN 0.305 nan 8.230 nan 0.000 0.433 344 L N -0.510 120.642 121.223 -0.118 0.000 2.552 344 L HA -0.048 4.292 4.340 0.001 0.000 0.227 344 L C 1.455 178.386 176.870 0.101 0.000 1.146 344 L CA 0.934 55.795 54.840 0.035 0.000 0.858 344 L CB -0.470 41.653 42.059 0.105 0.000 0.969 344 L HN 0.418 nan 8.230 nan 0.000 0.451 345 T N -5.773 108.819 114.554 0.063 0.000 3.231 345 T HA 0.120 4.470 4.350 0.001 0.000 0.292 345 T C 0.340 175.068 174.700 0.045 0.000 1.001 345 T CA -0.508 61.654 62.100 0.103 0.000 0.920 345 T CB -0.361 68.611 68.868 0.173 0.000 1.140 345 T HN 0.024 nan 8.240 nan 0.000 0.525 346 N N 2.731 121.435 118.700 0.007 0.000 2.458 346 N HA 0.182 4.923 4.740 0.001 0.000 0.258 346 N C -1.596 173.919 175.510 0.009 0.000 1.219 346 N CA -1.276 51.768 53.050 -0.010 0.000 0.902 346 N CB 1.033 39.496 38.487 -0.040 0.000 1.076 346 N HN -0.077 nan 8.380 nan 0.000 0.455 347 P HA -0.137 nan 4.420 nan 0.000 0.215 347 P C -0.532 176.778 177.300 0.016 0.000 1.157 347 P CA 1.190 64.299 63.100 0.015 0.000 0.863 347 P CB 0.179 31.886 31.700 0.011 0.000 0.787 348 K N 0.580 120.986 120.400 0.010 0.000 2.382 348 K HA 0.020 4.340 4.320 0.001 0.000 0.286 348 K C 1.251 177.863 176.600 0.020 0.000 1.062 348 K CA 0.474 56.770 56.287 0.014 0.000 1.000 348 K CB -0.529 31.977 32.500 0.009 0.000 0.954 348 K HN 0.087 nan 8.250 nan 0.000 0.470 349 T N 1.427 115.998 114.554 0.028 0.000 2.737 349 T HA -0.242 4.109 4.350 0.001 0.000 0.269 349 T C 1.177 175.898 174.700 0.035 0.000 1.040 349 T CA 2.040 64.161 62.100 0.035 0.000 1.142 349 T CB -0.427 68.465 68.868 0.040 0.000 0.861 349 T HN 0.737 nan 8.240 nan 0.000 0.456 350 N N 0.752 119.472 118.700 0.033 0.000 2.223 350 N HA 0.010 4.750 4.740 0.001 0.000 0.185 350 N C 1.795 177.326 175.510 0.034 0.000 1.016 350 N CA 1.087 54.158 53.050 0.035 0.000 0.863 350 N CB -0.189 38.323 38.487 0.041 0.000 0.983 350 N HN 0.298 nan 8.380 nan 0.000 0.429 351 I N 1.325 121.905 120.570 0.017 0.000 2.315 351 I HA -0.214 3.957 4.170 0.001 0.000 0.248 351 I C 2.426 178.544 176.117 0.001 0.000 1.117 351 I CA 1.285 62.581 61.300 -0.007 0.000 1.404 351 I CB -0.939 37.038 38.000 -0.038 0.000 1.071 351 I HN 0.298 nan 8.210 nan 0.000 0.419 352 Q N 0.636 120.446 119.800 0.017 0.000 2.123 352 Q HA -0.202 4.138 4.340 0.001 0.000 0.199 352 Q C 2.328 178.374 176.000 0.076 0.000 0.966 352 Q CA 1.244 57.070 55.803 0.037 0.000 0.845 352 Q CB 0.115 28.878 28.738 0.042 0.000 0.907 352 Q HN 0.184 nan 8.270 nan 0.000 0.439 353 K N 0.505 120.949 120.400 0.073 0.000 2.025 353 K HA -0.159 4.161 4.320 0.001 0.000 0.207 353 K C 1.718 178.414 176.600 0.160 0.000 1.049 353 K CA 1.307 57.649 56.287 0.092 0.000 0.933 353 K CB 0.073 32.604 32.500 0.051 0.000 0.714 353 K HN 0.240 nan 8.250 nan 0.000 0.438 354 E N 0.271 120.563 120.200 0.154 0.000 2.153 354 E HA -0.134 4.217 4.350 0.001 0.000 0.194 354 E C 1.894 178.692 176.600 0.330 0.000 0.988 354 E CA 1.015 57.583 56.400 0.281 0.000 0.811 354 E CB -0.106 29.707 29.700 0.188 0.000 0.746 354 E HN 0.363 nan 8.360 nan 0.000 0.466 355 A N 0.843 123.774 122.820 0.185 0.000 1.929 355 A HA -0.101 4.220 4.320 0.001 0.000 0.216 355 A C 2.414 180.189 177.584 0.319 0.000 1.176 355 A CA 1.728 53.882 52.037 0.194 0.000 0.628 355 A CB -0.646 18.343 19.000 -0.019 0.000 0.816 355 A HN 0.192 nan 8.150 nan 0.000 0.444 356 T N -1.542 113.159 114.554 0.244 0.000 2.857 356 T HA -0.158 4.193 4.350 0.001 0.000 0.266 356 T C 1.493 176.334 174.700 0.235 0.000 1.048 356 T CA 1.349 63.581 62.100 0.219 0.000 1.139 356 T CB -0.324 68.650 68.868 0.177 0.000 0.874 356 T HN 0.763 nan 8.240 nan 0.000 0.455 357 W N 2.347 123.697 121.300 0.083 0.000 2.355 357 W HA -0.172 4.488 4.660 0.001 0.000 0.309 357 W C 2.105 178.653 176.519 0.047 0.000 1.206 357 W CA 1.552 58.927 57.345 0.049 0.000 1.284 357 W CB -1.033 28.443 29.460 0.027 0.000 1.145 357 W HN 0.094 nan 8.180 nan 0.000 0.502 358 T N 1.566 116.053 114.554 -0.111 0.000 2.720 358 T HA -0.254 4.096 4.350 0.001 0.000 0.268 358 T C 1.893 176.438 174.700 -0.258 0.000 1.037 358 T CA 2.125 64.019 62.100 -0.343 0.000 1.144 358 T CB -0.447 68.437 68.868 0.027 0.000 0.864 358 T HN 0.054 nan 8.240 nan 0.000 0.444 359 M N 1.922 121.468 119.600 -0.091 0.000 2.117 359 M HA -0.073 4.408 4.480 0.001 0.000 0.262 359 M C 2.769 179.013 176.300 -0.094 0.000 1.065 359 M CA 1.602 56.817 55.300 -0.141 0.000 1.114 359 M CB -1.596 30.989 32.600 -0.025 0.000 1.361 359 M HN 0.445 nan 8.290 nan 0.000 0.408 360 S N 0.319 115.993 115.700 -0.043 0.000 2.419 360 S HA -0.118 4.352 4.470 0.001 0.000 0.235 360 S C 1.514 176.064 174.600 -0.083 0.000 1.019 360 S CA 1.242 59.447 58.200 0.009 0.000 0.982 360 S CB -0.477 62.783 63.200 0.101 0.000 0.789 360 S HN 0.460 nan 8.310 nan 0.000 0.490 361 N N 0.759 119.323 118.700 -0.226 0.000 2.353 361 N HA 0.319 5.060 4.740 0.001 0.000 0.185 361 N C 1.295 176.692 175.510 -0.188 0.000 1.098 361 N CA 0.425 53.331 53.050 -0.240 0.000 0.872 361 N CB -0.013 38.242 38.487 -0.388 0.000 0.970 361 N HN 0.505 nan 8.380 nan 0.000 0.467 362 I N 0.367 120.829 120.570 -0.180 0.000 3.035 362 I HA -0.090 4.081 4.170 0.001 0.000 0.271 362 I C 1.645 177.703 176.117 -0.099 0.000 1.190 362 I CA 0.871 62.072 61.300 -0.165 0.000 1.472 362 I CB 0.004 37.866 38.000 -0.230 0.000 1.116 362 I HN 0.066 nan 8.210 nan 0.000 0.443 363 T N -1.614 112.913 114.554 -0.045 0.000 3.148 363 T HA 0.215 4.565 4.350 0.001 0.000 0.253 363 T C 1.344 176.044 174.700 0.000 0.000 1.134 363 T CA 0.521 62.630 62.100 0.015 0.000 1.051 363 T CB 0.144 69.104 68.868 0.154 0.000 0.959 363 T HN 0.239 nan 8.240 nan 0.000 0.525 364 A N 0.512 123.317 122.820 -0.025 0.000 2.387 364 A HA 0.719 5.039 4.320 0.001 0.000 0.234 364 A C 1.343 178.899 177.584 -0.045 0.000 1.253 364 A CA -0.045 51.981 52.037 -0.019 0.000 0.894 364 A CB -0.375 18.608 19.000 -0.028 0.000 0.963 364 A HN 0.587 nan 8.150 nan 0.000 0.508 365 G N -0.351 108.410 108.800 -0.065 0.000 2.574 365 G HA2 0.443 4.404 3.960 0.001 0.000 0.248 365 G HA3 0.443 4.404 3.960 0.001 0.000 0.248 365 G C 0.095 174.953 174.900 -0.070 0.000 1.422 365 G CA -0.939 44.120 45.100 -0.069 0.000 1.051 365 G HN 0.442 nan 8.290 nan 0.000 0.560 366 R N -0.392 120.066 120.500 -0.069 0.000 2.774 366 R HA 0.088 4.429 4.340 0.001 0.000 0.269 366 R C 1.651 177.898 176.300 -0.088 0.000 1.068 366 R CA -0.081 55.979 56.100 -0.068 0.000 1.180 366 R CB 0.498 30.764 30.300 -0.057 0.000 1.077 366 R HN 0.586 nan 8.270 nan 0.000 0.513 367 Q N 1.056 120.803 119.800 -0.088 0.000 2.119 367 Q HA -0.172 4.168 4.340 0.001 0.000 0.201 367 Q C 1.448 177.389 176.000 -0.099 0.000 0.972 367 Q CA 1.657 57.392 55.803 -0.112 0.000 0.847 367 Q CB -0.038 28.643 28.738 -0.095 0.000 0.903 367 Q HN 0.699 nan 8.270 nan 0.000 0.433 368 D N 0.419 120.775 120.400 -0.073 0.000 2.264 368 D HA -0.200 4.440 4.640 0.001 0.000 0.208 368 D C 1.442 177.706 176.300 -0.059 0.000 0.966 368 D CA 0.934 54.898 54.000 -0.060 0.000 0.864 368 D CB -0.014 40.758 40.800 -0.047 0.000 0.933 368 D HN 0.367 nan 8.370 nan 0.000 0.499 369 Q N -0.026 119.732 119.800 -0.070 0.000 2.250 369 Q HA 0.134 4.474 4.340 0.001 0.000 0.200 369 Q C 2.617 178.570 176.000 -0.078 0.000 0.941 369 Q CA 0.244 56.004 55.803 -0.071 0.000 0.872 369 Q CB 0.373 29.064 28.738 -0.079 0.000 0.965 369 Q HN 0.347 nan 8.270 nan 0.000 0.480 370 I N 0.886 121.391 120.570 -0.108 0.000 2.315 370 I HA -0.246 3.925 4.170 0.001 0.000 0.248 370 I C 2.448 178.517 176.117 -0.081 0.000 1.117 370 I CA 0.863 62.079 61.300 -0.141 0.000 1.404 370 I CB -0.158 37.655 38.000 -0.312 0.000 1.071 370 I HN 0.235 nan 8.210 nan 0.000 0.419 371 Q N 0.513 120.264 119.800 -0.082 0.000 2.124 371 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 371 Q C 2.198 178.192 176.000 -0.010 0.000 0.977 371 Q CA 1.337 57.105 55.803 -0.057 0.000 0.850 371 Q CB -0.154 28.544 28.738 -0.066 0.000 0.901 371 Q HN 0.534 nan 8.270 nan 0.000 0.429 372 Q N -0.380 119.423 119.800 0.006 0.000 2.170 372 Q HA -0.087 4.253 4.340 0.001 0.000 0.203 372 Q C 2.191 178.281 176.000 0.149 0.000 0.976 372 Q CA 0.908 56.758 55.803 0.078 0.000 0.858 372 Q CB -0.119 28.641 28.738 0.036 0.000 0.907 372 Q HN 0.233 nan 8.270 nan 0.000 0.433 373 V N 0.094 120.047 119.914 0.064 0.000 2.323 373 V HA -0.192 3.928 4.120 0.001 0.000 0.244 373 V C 2.485 178.677 176.094 0.162 0.000 1.041 373 V CA 1.214 63.565 62.300 0.084 0.000 1.025 373 V CB -0.643 31.230 31.823 0.084 0.000 0.656 373 V HN 0.077 nan 8.190 nan 0.000 0.451 374 V N 0.836 120.834 119.914 0.140 0.000 2.282 374 V HA -0.351 3.770 4.120 0.001 0.000 0.249 374 V C 2.146 178.259 176.094 0.031 0.000 1.057 374 V CA 2.649 65.003 62.300 0.090 0.000 1.032 374 V CB -1.081 30.694 31.823 -0.080 0.000 0.645 374 V HN 0.644 nan 8.190 nan 0.000 0.447 375 N N -0.697 118.008 118.700 0.009 0.000 2.149 375 N HA -0.199 4.541 4.740 0.001 0.000 0.188 375 N C 1.286 176.765 175.510 -0.052 0.000 1.019 375 N CA 1.296 54.317 53.050 -0.048 0.000 0.857 375 N CB -0.200 38.234 38.487 -0.088 0.000 0.997 375 N HN 0.605 nan 8.380 nan 0.000 0.426 376 H N -0.410 118.681 119.070 0.035 0.000 2.607 376 H HA 0.202 4.758 4.556 0.001 0.000 0.288 376 H C 0.982 176.387 175.328 0.129 0.000 1.058 376 H CA 0.241 56.325 56.048 0.060 0.000 1.178 376 H CB -0.276 29.506 29.762 0.032 0.000 1.340 376 H HN 0.225 nan 8.280 nan 0.000 0.591 377 G N 0.871 109.805 108.800 0.225 0.000 2.379 377 G HA2 -0.311 3.649 3.960 0.001 0.000 0.297 377 G HA3 -0.311 3.649 3.960 0.001 0.000 0.297 377 G C 0.903 176.043 174.900 0.400 0.000 1.004 377 G CA 0.659 45.928 45.100 0.282 0.000 0.921 377 G HN 0.516 nan 8.290 nan 0.000 0.511 378 L N -0.895 120.538 121.223 0.351 0.000 2.375 378 L HA 0.016 4.357 4.340 0.001 0.000 0.215 378 L C 2.770 179.825 176.870 0.307 0.000 1.108 378 L CA 0.519 55.579 54.840 0.367 0.000 0.830 378 L CB -0.266 41.909 42.059 0.193 0.000 0.959 378 L HN 0.271 nan 8.230 nan 0.000 0.457 379 V N 0.786 120.855 119.914 0.258 0.000 2.332 379 V HA -0.163 3.958 4.120 0.001 0.000 0.248 379 V C -0.172 175.947 176.094 0.042 0.000 1.055 379 V CA 1.928 64.307 62.300 0.131 0.000 1.038 379 V CB -1.504 30.422 31.823 0.171 0.000 0.651 379 V HN 0.329 nan 8.190 nan 0.000 0.450 380 P HA -0.115 nan 4.420 nan 0.000 0.217 380 P C 1.598 178.813 177.300 -0.142 0.000 1.150 380 P CA 1.417 64.453 63.100 -0.106 0.000 0.832 380 P CB -0.115 31.492 31.700 -0.154 0.000 0.787 381 F N -1.161 118.811 119.950 0.037 0.000 2.186 381 F HA -0.105 4.423 4.527 0.001 0.000 0.299 381 F C 2.203 178.024 175.800 0.036 0.000 1.090 381 F CA 1.202 59.230 58.000 0.047 0.000 1.307 381 F CB -1.033 38.015 39.000 0.080 0.000 1.019 381 F HN -0.177 nan 8.300 nan 0.000 0.489 382 L N -1.113 120.221 121.223 0.185 0.000 2.044 382 L HA -0.180 4.160 4.340 0.001 0.000 0.205 382 L C 2.382 179.269 176.870 0.029 0.000 1.075 382 L CA 0.679 55.578 54.840 0.100 0.000 0.747 382 L CB -0.839 41.251 42.059 0.051 0.000 0.903 382 L HN -0.082 nan 8.230 nan 0.000 0.435 383 V N 0.446 120.346 119.914 -0.023 0.000 2.380 383 V HA -0.266 3.854 4.120 0.001 0.000 0.251 383 V C 2.592 178.663 176.094 -0.038 0.000 1.063 383 V CA 2.077 64.341 62.300 -0.060 0.000 1.055 383 V CB -1.291 30.470 31.823 -0.103 0.000 0.657 383 V HN 0.599 nan 8.190 nan 0.000 0.455 384 G N -0.531 108.249 108.800 -0.033 0.000 2.433 384 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 384 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 384 G C 1.696 176.612 174.900 0.027 0.000 1.186 384 G CA 1.109 46.196 45.100 -0.021 0.000 0.779 384 G HN 0.359 nan 8.290 nan 0.000 0.543 385 V N 0.633 120.587 119.914 0.066 0.000 2.332 385 V HA -0.150 3.970 4.120 0.001 0.000 0.248 385 V C 2.764 178.884 176.094 0.043 0.000 1.055 385 V CA 1.702 64.044 62.300 0.071 0.000 1.038 385 V CB -0.425 31.457 31.823 0.098 0.000 0.651 385 V HN 0.319 nan 8.190 nan 0.000 0.450 386 L N -0.217 121.021 121.223 0.026 0.000 2.127 386 L HA -0.135 4.206 4.340 0.001 0.000 0.211 386 L C 2.439 179.316 176.870 0.012 0.000 1.089 386 L CA 2.046 56.892 54.840 0.010 0.000 0.757 386 L CB -0.501 41.551 42.059 -0.011 0.000 0.899 386 L HN 0.278 nan 8.230 nan 0.000 0.434 387 S N -1.441 114.263 115.700 0.007 0.000 2.414 387 S HA -0.006 4.464 4.470 0.001 0.000 0.227 387 S C 0.788 175.400 174.600 0.020 0.000 1.022 387 S CA 0.585 58.788 58.200 0.005 0.000 0.958 387 S CB 0.041 63.234 63.200 -0.012 0.000 0.797 387 S HN 0.333 nan 8.310 nan 0.000 0.493 388 K N 0.062 120.479 120.400 0.029 0.000 2.616 388 K HA 0.572 4.893 4.320 0.001 0.000 0.255 388 K C -1.717 174.912 176.600 0.049 0.000 0.995 388 K CA -0.185 56.126 56.287 0.039 0.000 0.860 388 K CB 1.355 33.872 32.500 0.028 0.000 1.264 388 K HN 0.175 nan 8.250 nan 0.000 0.451 389 A N 2.846 125.703 122.820 0.061 0.000 2.452 389 A HA 0.263 4.583 4.320 0.001 0.000 0.294 389 A C -1.806 175.827 177.584 0.082 0.000 1.010 389 A CA -0.828 51.248 52.037 0.064 0.000 0.613 389 A CB 0.758 19.794 19.000 0.059 0.000 1.363 389 A HN 0.827 nan 8.150 nan 0.000 0.463 390 D N -0.376 120.070 120.400 0.078 0.000 2.506 390 D HA 0.161 4.801 4.640 0.001 0.000 0.234 390 D C 0.885 177.261 176.300 0.127 0.000 1.143 390 D CA 0.395 54.456 54.000 0.101 0.000 0.871 390 D CB 0.146 40.994 40.800 0.079 0.000 1.190 390 D HN 0.566 nan 8.370 nan 0.000 0.459 391 F N 3.428 123.400 119.950 0.037 0.000 2.120 391 F HA -0.188 4.340 4.527 0.000 0.000 0.300 391 F C 1.888 177.720 175.800 0.053 0.000 1.095 391 F CA 1.481 59.504 58.000 0.039 0.000 1.249 391 F CB -0.021 38.998 39.000 0.031 0.000 0.995 391 F HN 0.354 nan 8.300 nan 0.000 0.480 392 K N -0.254 120.102 120.400 -0.072 0.000 2.097 392 K HA -0.115 4.206 4.320 0.001 0.000 0.206 392 K C 1.995 178.525 176.600 -0.117 0.000 1.049 392 K CA 1.770 57.975 56.287 -0.137 0.000 0.933 392 K CB -1.102 31.402 32.500 0.007 0.000 0.717 392 K HN 0.312 nan 8.250 nan 0.000 0.442 393 T N 1.700 116.226 114.554 -0.046 0.000 2.904 393 T HA -0.086 4.264 4.350 0.001 0.000 0.267 393 T C 1.920 176.608 174.700 -0.020 0.000 1.059 393 T CA 0.984 63.088 62.100 0.006 0.000 1.137 393 T CB 0.033 68.925 68.868 0.041 0.000 0.879 393 T HN 0.322 nan 8.240 nan 0.000 0.467 394 Q N 0.679 120.419 119.800 -0.100 0.000 2.123 394 Q HA 0.004 4.345 4.340 0.001 0.000 0.199 394 Q C 2.350 178.246 176.000 -0.173 0.000 0.966 394 Q CA 0.982 56.720 55.803 -0.109 0.000 0.845 394 Q CB -0.096 28.586 28.738 -0.093 0.000 0.907 394 Q HN 0.417 nan 8.270 nan 0.000 0.439 395 K N 0.499 120.688 120.400 -0.351 0.000 2.097 395 K HA -0.153 4.167 4.320 0.001 0.000 0.206 395 K C 1.928 178.562 176.600 0.057 0.000 1.049 395 K CA 1.046 57.181 56.287 -0.254 0.000 0.933 395 K CB 0.175 32.477 32.500 -0.329 0.000 0.717 395 K HN 0.126 nan 8.250 nan 0.000 0.442 396 E N -0.009 120.261 120.200 0.117 0.000 2.208 396 E HA -0.125 4.226 4.350 0.001 0.000 0.193 396 E C 1.890 178.625 176.600 0.224 0.000 0.988 396 E CA 0.903 57.464 56.400 0.269 0.000 0.828 396 E CB -0.014 29.826 29.700 0.233 0.000 0.763 396 E HN 0.315 nan 8.360 nan 0.000 0.478 397 A N 1.554 124.442 122.820 0.113 0.000 1.897 397 A HA 0.012 4.332 4.320 0.001 0.000 0.215 397 A C 2.439 180.064 177.584 0.068 0.000 1.181 397 A CA 1.630 53.720 52.037 0.087 0.000 0.620 397 A CB -0.492 18.535 19.000 0.046 0.000 0.821 397 A HN 0.250 nan 8.150 nan 0.000 0.443 398 A N -1.264 121.563 122.820 0.012 0.000 1.908 398 A HA -0.200 4.121 4.320 0.001 0.000 0.218 398 A C 2.016 179.583 177.584 -0.028 0.000 1.181 398 A CA 1.419 53.419 52.037 -0.061 0.000 0.627 398 A CB -0.933 17.968 19.000 -0.164 0.000 0.818 398 A HN 0.756 nan 8.150 nan 0.000 0.445 399 W N -0.415 120.900 121.300 0.026 0.000 2.355 399 W HA -0.073 4.588 4.660 0.001 0.000 0.309 399 W C 2.839 179.388 176.519 0.051 0.000 1.206 399 W CA 1.420 58.793 57.345 0.047 0.000 1.284 399 W CB -0.200 29.301 29.460 0.068 0.000 1.145 399 W HN 0.410 nan 8.180 nan 0.000 0.502 400 A N 0.443 123.446 122.820 0.306 0.000 1.884 400 A HA -0.268 4.053 4.320 0.001 0.000 0.219 400 A C 1.844 179.533 177.584 0.175 0.000 1.197 400 A CA 2.184 54.339 52.037 0.197 0.000 0.637 400 A CB -1.053 18.030 19.000 0.138 0.000 0.827 400 A HN 0.188 nan 8.150 nan 0.000 0.450 401 I N -0.574 120.057 120.570 0.102 0.000 2.127 401 I HA -0.197 3.974 4.170 0.001 0.000 0.241 401 I C 2.687 178.868 176.117 0.105 0.000 1.075 401 I CA 2.256 63.578 61.300 0.037 0.000 1.334 401 I CB -1.855 36.121 38.000 -0.040 0.000 1.040 401 I HN 0.399 nan 8.210 nan 0.000 0.405 402 T N 1.102 115.711 114.554 0.092 0.000 2.881 402 T HA -0.146 4.204 4.350 0.001 0.000 0.270 402 T C 1.671 176.478 174.700 0.177 0.000 1.068 402 T CA 1.559 63.716 62.100 0.095 0.000 1.131 402 T CB -0.162 68.707 68.868 0.001 0.000 0.871 402 T HN 0.252 nan 8.240 nan 0.000 0.479 403 N N -0.200 118.641 118.700 0.236 0.000 2.250 403 N HA -0.015 4.725 4.740 0.001 0.000 0.181 403 N C 1.441 177.059 175.510 0.180 0.000 1.017 403 N CA 0.892 54.068 53.050 0.209 0.000 0.866 403 N CB -0.556 38.047 38.487 0.194 0.000 0.985 403 N HN 0.507 nan 8.380 nan 0.000 0.429 404 Y N 2.240 122.576 120.300 0.059 0.000 2.114 404 Y HA -0.201 4.349 4.550 0.000 0.000 0.284 404 Y C 2.398 178.316 175.900 0.031 0.000 1.143 404 Y CA 2.158 60.281 58.100 0.037 0.000 1.135 404 Y CB -0.949 37.534 38.460 0.039 0.000 0.980 404 Y HN 0.134 nan 8.280 nan 0.000 0.499 405 T N -2.693 112.089 114.554 0.381 0.000 3.155 405 T HA -0.083 4.267 4.350 0.001 0.000 0.264 405 T C 1.968 176.741 174.700 0.122 0.000 1.160 405 T CA 0.981 63.223 62.100 0.236 0.000 1.075 405 T CB -0.539 68.416 68.868 0.145 0.000 0.921 405 T HN 0.345 nan 8.240 nan 0.000 0.533 406 S N 0.545 116.310 115.700 0.109 0.000 2.427 406 S HA 0.306 4.777 4.470 0.001 0.000 0.224 406 S C 2.016 176.638 174.600 0.036 0.000 1.047 406 S CA 0.612 58.858 58.200 0.076 0.000 0.953 406 S CB -0.514 62.744 63.200 0.095 0.000 0.824 406 S HN 0.655 nan 8.310 nan 0.000 0.502 407 G N 0.164 108.966 108.800 0.003 0.000 3.228 407 G HA2 0.483 4.444 3.960 0.001 0.000 0.245 407 G HA3 0.483 4.444 3.960 0.001 0.000 0.245 407 G C 0.494 175.343 174.900 -0.086 0.000 1.051 407 G CA 0.205 45.285 45.100 -0.034 0.000 0.809 407 G HN 0.627 nan 8.290 nan 0.000 0.531 408 G N 0.500 109.225 108.800 -0.126 0.000 2.606 408 G HA2 0.423 4.383 3.960 0.001 0.000 0.252 408 G HA3 0.423 4.383 3.960 0.001 0.000 0.252 408 G C 0.544 175.384 174.900 -0.100 0.000 1.206 408 G CA 0.487 45.462 45.100 -0.208 0.000 0.861 408 G HN 0.387 nan 8.290 nan 0.000 0.561 409 T N -1.995 112.499 114.554 -0.100 0.000 2.849 409 T HA 0.215 4.565 4.350 0.001 0.000 0.284 409 T C 1.579 176.270 174.700 -0.015 0.000 1.004 409 T CA -0.234 61.838 62.100 -0.047 0.000 1.021 409 T CB 1.317 70.156 68.868 -0.048 0.000 1.013 409 T HN 0.184 nan 8.240 nan 0.000 0.527 410 V N 1.297 121.209 119.914 -0.004 0.000 2.255 410 V HA -0.167 3.953 4.120 0.001 0.000 0.247 410 V C 2.855 178.956 176.094 0.011 0.000 1.051 410 V CA 2.512 64.815 62.300 0.005 0.000 1.018 410 V CB -1.112 30.712 31.823 0.002 0.000 0.641 410 V HN 1.104 nan 8.190 nan 0.000 0.445 411 E N -0.456 119.750 120.200 0.010 0.000 2.130 411 E HA -0.318 4.032 4.350 0.001 0.000 0.196 411 E C 2.244 178.881 176.600 0.061 0.000 0.998 411 E CA 1.869 58.282 56.400 0.022 0.000 0.806 411 E CB -0.082 29.624 29.700 0.010 0.000 0.738 411 E HN 0.704 nan 8.360 nan 0.000 0.459 412 Q N -0.169 119.670 119.800 0.066 0.000 2.083 412 Q HA -0.067 4.273 4.340 0.001 0.000 0.198 412 Q C 2.304 178.494 176.000 0.318 0.000 0.969 412 Q CA 1.266 57.168 55.803 0.165 0.000 0.838 412 Q CB 0.039 28.779 28.738 0.004 0.000 0.900 412 Q HN 0.408 nan 8.270 nan 0.000 0.436 413 I N 0.092 120.787 120.570 0.208 0.000 2.614 413 I HA -0.208 3.962 4.170 0.001 0.000 0.258 413 I C 1.988 178.125 176.117 0.034 0.000 1.189 413 I CA 0.456 61.871 61.300 0.192 0.000 1.462 413 I CB -0.097 37.963 38.000 0.101 0.000 1.092 413 I HN 0.041 nan 8.210 nan 0.000 0.442 414 V N 0.465 120.373 119.914 -0.010 0.000 2.244 414 V HA -0.325 3.796 4.120 0.001 0.000 0.244 414 V C 2.326 178.264 176.094 -0.259 0.000 1.042 414 V CA 2.027 64.218 62.300 -0.181 0.000 1.006 414 V CB -0.823 30.905 31.823 -0.158 0.000 0.641 414 V HN 0.401 nan 8.190 nan 0.000 0.446 415 Y N 0.752 120.958 120.300 -0.156 0.000 2.114 415 Y HA -0.309 4.241 4.550 0.000 0.000 0.282 415 Y C 2.259 178.125 175.900 -0.058 0.000 1.165 415 Y CA 2.003 60.070 58.100 -0.055 0.000 1.148 415 Y CB -0.478 38.013 38.460 0.051 0.000 0.972 415 Y HN 0.207 nan 8.280 nan 0.000 0.504 416 L N -0.356 120.823 121.223 -0.074 0.000 2.043 416 L HA -0.211 4.129 4.340 0.001 0.000 0.212 416 L C 2.235 178.936 176.870 -0.281 0.000 1.075 416 L CA 1.937 56.616 54.840 -0.269 0.000 0.752 416 L CB -1.036 40.861 42.059 -0.269 0.000 0.891 416 L HN 0.214 nan 8.230 nan 0.000 0.432 417 V N -0.997 118.778 119.914 -0.232 0.000 2.379 417 V HA -0.270 3.850 4.120 0.001 0.000 0.245 417 V C 2.226 178.251 176.094 -0.115 0.000 1.044 417 V CA 1.860 64.046 62.300 -0.190 0.000 1.036 417 V CB -0.882 30.824 31.823 -0.195 0.000 0.664 417 V HN 0.596 nan 8.190 nan 0.000 0.453 418 H N -1.878 117.089 119.070 -0.172 0.000 2.560 418 H HA -0.130 4.427 4.556 0.001 0.000 0.283 418 H C 1.954 177.140 175.328 -0.237 0.000 1.028 418 H CA 0.909 56.860 56.048 -0.162 0.000 1.221 418 H CB -0.018 29.683 29.762 -0.101 0.000 1.363 418 H HN 0.394 nan 8.280 nan 0.000 0.594 419 C N 0.127 119.285 119.300 -0.237 0.000 2.697 419 C HA 0.219 4.679 4.460 0.001 0.000 0.267 419 C C 1.655 176.540 174.990 -0.175 0.000 1.278 419 C CA 0.675 59.525 59.018 -0.280 0.000 1.708 419 C CB -0.670 26.807 27.740 -0.438 0.000 1.860 419 C HN 0.846 nan 8.230 nan 0.000 0.589 420 G N 1.130 109.851 108.800 -0.132 0.000 2.248 420 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 420 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 420 G C 0.385 175.221 174.900 -0.107 0.000 1.085 420 G CA 0.348 45.388 45.100 -0.100 0.000 0.845 420 G HN 0.414 nan 8.290 nan 0.000 0.494 421 I N 0.017 120.510 120.570 -0.129 0.000 2.584 421 I HA 0.110 4.281 4.170 0.001 0.000 0.255 421 I C 2.378 178.436 176.117 -0.098 0.000 1.145 421 I CA 0.464 61.689 61.300 -0.125 0.000 1.462 421 I CB -0.114 37.787 38.000 -0.165 0.000 1.102 421 I HN 0.329 nan 8.210 nan 0.000 0.433 422 I N 0.661 121.173 120.570 -0.097 0.000 2.099 422 I HA -0.323 3.847 4.170 0.001 0.000 0.239 422 I C 2.436 178.520 176.117 -0.056 0.000 1.066 422 I CA 1.645 62.897 61.300 -0.081 0.000 1.324 422 I CB -1.497 36.452 38.000 -0.085 0.000 1.037 422 I HN 0.405 nan 8.210 nan 0.000 0.401 423 E N 1.315 121.485 120.200 -0.049 0.000 2.033 423 E HA -0.214 4.136 4.350 0.001 0.000 0.199 423 E C -0.553 176.028 176.600 -0.031 0.000 1.011 423 E CA 2.134 58.513 56.400 -0.036 0.000 0.815 423 E CB -0.796 28.883 29.700 -0.034 0.000 0.755 423 E HN 0.285 nan 8.360 nan 0.000 0.451 424 P HA -0.158 nan 4.420 nan 0.000 0.220 424 P C 1.715 179.003 177.300 -0.021 0.000 1.148 424 P CA 0.875 63.960 63.100 -0.024 0.000 0.803 424 P CB -0.045 31.638 31.700 -0.029 0.000 0.782 425 L N -1.035 120.168 121.223 -0.033 0.000 2.093 425 L HA -0.072 4.268 4.340 0.001 0.000 0.208 425 L C 2.528 179.386 176.870 -0.020 0.000 1.085 425 L CA 1.833 56.654 54.840 -0.032 0.000 0.755 425 L CB -1.097 40.933 42.059 -0.048 0.000 0.904 425 L HN -0.172 nan 8.230 nan 0.000 0.435 426 M N -0.782 118.806 119.600 -0.020 0.000 2.132 426 M HA -0.131 4.350 4.480 0.001 0.000 0.263 426 M C 1.903 178.196 176.300 -0.012 0.000 1.065 426 M CA 1.186 56.478 55.300 -0.014 0.000 1.122 426 M CB -1.392 31.199 32.600 -0.015 0.000 1.365 426 M HN 0.331 nan 8.290 nan 0.000 0.411 427 N N 0.714 119.408 118.700 -0.009 0.000 2.364 427 N HA -0.078 4.663 4.740 0.001 0.000 0.183 427 N C 1.659 177.175 175.510 0.009 0.000 1.022 427 N CA 0.947 53.994 53.050 -0.004 0.000 0.883 427 N CB -0.168 38.319 38.487 -0.001 0.000 0.965 427 N HN 0.409 nan 8.380 nan 0.000 0.438 428 L N 0.475 121.709 121.223 0.018 0.000 2.599 428 L HA 0.095 4.436 4.340 0.001 0.000 0.230 428 L C 1.569 178.459 176.870 0.032 0.000 1.141 428 L CA 0.096 54.966 54.840 0.050 0.000 0.877 428 L CB -0.039 42.054 42.059 0.055 0.000 1.009 428 L HN 0.067 nan 8.230 nan 0.000 0.447 429 L N -1.048 120.174 121.223 -0.002 0.000 2.599 429 L HA 0.006 4.347 4.340 0.001 0.000 0.230 429 L C 1.375 178.217 176.870 -0.046 0.000 1.141 429 L CA 0.220 55.044 54.840 -0.027 0.000 0.877 429 L CB 0.001 42.041 42.059 -0.032 0.000 1.009 429 L HN 0.125 nan 8.230 nan 0.000 0.447 430 S N -0.060 115.623 115.700 -0.029 0.000 2.583 430 S HA 0.354 4.824 4.470 0.001 0.000 0.239 430 S C 0.643 175.213 174.600 -0.050 0.000 0.966 430 S CA -0.278 57.897 58.200 -0.042 0.000 0.973 430 S CB 0.269 63.450 63.200 -0.031 0.000 0.794 430 S HN 0.301 nan 8.310 nan 0.000 0.463 431 A N 1.559 124.355 122.820 -0.040 0.000 2.295 431 A HA 0.567 4.888 4.320 0.001 0.000 0.318 431 A C 0.685 178.218 177.584 -0.084 0.000 1.134 431 A CA -0.661 51.328 52.037 -0.081 0.000 0.827 431 A CB 0.600 19.609 19.000 0.015 0.000 1.136 431 A HN 0.075 nan 8.150 nan 0.000 0.493 432 K N 1.290 121.604 120.400 -0.144 0.000 2.665 432 K HA 0.072 4.393 4.320 0.001 0.000 0.214 432 K C -0.573 176.015 176.600 -0.020 0.000 1.032 432 K CA 0.306 56.549 56.287 -0.073 0.000 1.198 432 K CB -0.113 32.328 32.500 -0.098 0.000 0.941 432 K HN 0.623 nan 8.250 nan 0.000 0.491 433 D N 1.077 121.495 120.400 0.029 0.000 2.440 433 D HA 0.028 4.668 4.640 0.001 0.000 0.239 433 D C 1.047 177.428 176.300 0.134 0.000 1.084 433 D CA -0.029 54.054 54.000 0.138 0.000 0.843 433 D CB 1.490 42.496 40.800 0.344 0.000 1.097 433 D HN 0.125 nan 8.370 nan 0.000 0.531 434 T N 1.734 116.373 114.554 0.142 0.000 2.867 434 T HA -0.164 4.186 4.350 0.001 0.000 0.268 434 T C 1.641 176.406 174.700 0.110 0.000 1.057 434 T CA 0.886 63.082 62.100 0.160 0.000 1.136 434 T CB 0.187 69.161 68.868 0.178 0.000 0.874 434 T HN 0.144 nan 8.240 nan 0.000 0.466 435 K N 0.989 121.451 120.400 0.103 0.000 2.167 435 K HA 0.284 4.605 4.320 0.001 0.000 0.203 435 K C 2.053 178.640 176.600 -0.021 0.000 1.052 435 K CA 0.756 57.084 56.287 0.069 0.000 0.956 435 K CB -0.754 31.819 32.500 0.122 0.000 0.735 435 K HN 0.533 nan 8.250 nan 0.000 0.451 436 I N 0.077 120.652 120.570 0.008 0.000 2.315 436 I HA -0.176 3.994 4.170 0.001 0.000 0.248 436 I C 1.574 177.644 176.117 -0.077 0.000 1.117 436 I CA 1.067 62.322 61.300 -0.075 0.000 1.404 436 I CB 0.070 38.099 38.000 0.049 0.000 1.071 436 I HN 0.133 nan 8.210 nan 0.000 0.419 437 I N 0.504 121.065 120.570 -0.014 0.000 2.361 437 I HA -0.304 3.866 4.170 0.001 0.000 0.251 437 I C 2.362 178.459 176.117 -0.034 0.000 1.133 437 I CA 1.247 62.531 61.300 -0.027 0.000 1.413 437 I CB -0.381 37.596 38.000 -0.037 0.000 1.073 437 I HN 0.373 nan 8.210 nan 0.000 0.424 438 Q N 0.021 119.800 119.800 -0.034 0.000 2.083 438 Q HA -0.110 4.231 4.340 0.001 0.000 0.198 438 Q C 2.461 178.396 176.000 -0.108 0.000 0.969 438 Q CA 1.164 56.947 55.803 -0.033 0.000 0.838 438 Q CB -0.069 28.665 28.738 -0.006 0.000 0.900 438 Q HN 0.348 nan 8.270 nan 0.000 0.436 439 V N 1.322 121.093 119.914 -0.238 0.000 2.261 439 V HA -0.275 3.846 4.120 0.001 0.000 0.246 439 V C 2.174 178.130 176.094 -0.231 0.000 1.047 439 V CA 1.689 63.743 62.300 -0.409 0.000 1.015 439 V CB -0.481 30.867 31.823 -0.792 0.000 0.642 439 V HN 0.339 nan 8.190 nan 0.000 0.446 440 I N -0.568 119.903 120.570 -0.165 0.000 2.142 440 I HA -0.270 3.900 4.170 0.001 0.000 0.240 440 I C 2.421 178.518 176.117 -0.033 0.000 1.078 440 I CA 1.656 62.903 61.300 -0.088 0.000 1.343 440 I CB -0.435 37.530 38.000 -0.060 0.000 1.046 440 I HN 0.246 nan 8.210 nan 0.000 0.405 441 L N 0.317 121.533 121.223 -0.012 0.000 2.013 441 L HA -0.297 4.043 4.340 0.001 0.000 0.212 441 L C 2.447 179.349 176.870 0.054 0.000 1.073 441 L CA 1.530 56.394 54.840 0.041 0.000 0.753 441 L CB -0.726 41.361 42.059 0.048 0.000 0.890 441 L HN 0.385 nan 8.230 nan 0.000 0.432 442 D N -0.082 120.329 120.400 0.018 0.000 2.149 442 D HA -0.198 4.443 4.640 0.001 0.000 0.198 442 D C 2.059 178.383 176.300 0.041 0.000 0.990 442 D CA 1.458 55.476 54.000 0.030 0.000 0.839 442 D CB 0.333 41.130 40.800 -0.006 0.000 0.948 442 D HN 0.351 nan 8.370 nan 0.000 0.460 443 A N 1.078 123.905 122.820 0.012 0.000 1.855 443 A HA -0.135 4.186 4.320 0.001 0.000 0.215 443 A C 2.281 179.881 177.584 0.028 0.000 1.191 443 A CA 0.885 52.931 52.037 0.015 0.000 0.613 443 A CB -0.539 18.450 19.000 -0.019 0.000 0.829 443 A HN 0.228 nan 8.150 nan 0.000 0.442 444 I N 0.177 120.772 120.570 0.042 0.000 2.151 444 I HA -0.232 3.938 4.170 0.001 0.000 0.243 444 I C 2.761 178.975 176.117 0.161 0.000 1.080 444 I CA 2.015 63.354 61.300 0.065 0.000 1.339 444 I CB -1.565 36.528 38.000 0.155 0.000 1.039 444 I HN 0.413 nan 8.210 nan 0.000 0.409 445 S N 1.218 117.043 115.700 0.209 0.000 2.365 445 S HA -0.216 4.254 4.470 0.001 0.000 0.225 445 S C 1.818 176.524 174.600 0.176 0.000 1.039 445 S CA 1.804 60.152 58.200 0.246 0.000 1.033 445 S CB -0.275 63.034 63.200 0.182 0.000 0.887 445 S HN 0.450 nan 8.310 nan 0.000 0.447 446 N N 1.201 119.966 118.700 0.108 0.000 2.205 446 N HA -0.025 4.715 4.740 0.001 0.000 0.186 446 N C 1.734 177.270 175.510 0.043 0.000 1.015 446 N CA 1.433 54.530 53.050 0.079 0.000 0.862 446 N CB -0.432 38.098 38.487 0.071 0.000 0.986 446 N HN 0.541 nan 8.380 nan 0.000 0.429 447 I N -0.528 120.036 120.570 -0.011 0.000 2.333 447 I HA -0.157 4.014 4.170 0.001 0.000 0.246 447 I C 1.685 177.696 176.117 -0.177 0.000 1.106 447 I CA 0.654 61.884 61.300 -0.117 0.000 1.411 447 I CB -0.267 37.601 38.000 -0.219 0.000 1.082 447 I HN -0.107 nan 8.210 nan 0.000 0.420 448 F N 1.292 121.127 119.950 -0.193 0.000 2.102 448 F HA -0.223 4.304 4.527 0.000 0.000 0.298 448 F C 2.757 178.450 175.800 -0.178 0.000 1.105 448 F CA 1.569 59.346 58.000 -0.372 0.000 1.239 448 F CB -0.707 37.772 39.000 -0.870 0.000 0.991 448 F HN 0.035 nan 8.300 nan 0.000 0.474 449 Q N -0.559 119.329 119.800 0.146 0.000 2.268 449 Q HA -0.233 4.107 4.340 0.001 0.000 0.210 449 Q C 2.030 178.074 176.000 0.074 0.000 0.988 449 Q CA 1.476 57.358 55.803 0.132 0.000 0.883 449 Q CB -0.211 28.598 28.738 0.118 0.000 0.911 449 Q HN 0.435 nan 8.270 nan 0.000 0.430 450 A N -0.843 121.997 122.820 0.034 0.000 2.115 450 A HA 0.272 4.592 4.320 0.001 0.000 0.211 450 A C 1.926 179.508 177.584 -0.004 0.000 1.169 450 A CA 0.713 52.757 52.037 0.012 0.000 0.787 450 A CB -0.027 18.972 19.000 -0.001 0.000 0.858 450 A HN 0.382 nan 8.150 nan 0.000 0.474 451 A N 0.253 123.060 122.820 -0.021 0.000 2.067 451 A HA -0.020 4.301 4.320 0.001 0.000 0.217 451 A C 1.767 179.367 177.584 0.027 0.000 1.156 451 A CA 1.268 53.286 52.037 -0.031 0.000 0.683 451 A CB -0.278 18.662 19.000 -0.099 0.000 0.808 451 A HN 0.593 nan 8.150 nan 0.000 0.455 452 E N 0.227 120.466 120.200 0.065 0.000 2.046 452 E HA -0.127 4.224 4.350 0.001 0.000 0.190 452 E C 1.658 178.291 176.600 0.055 0.000 0.982 452 E CA 1.015 57.467 56.400 0.087 0.000 0.800 452 E CB -0.173 29.601 29.700 0.125 0.000 0.756 452 E HN 0.516 nan 8.360 nan 0.000 0.449 453 K N 0.471 120.897 120.400 0.043 0.000 2.360 453 K HA -0.102 4.218 4.320 0.001 0.000 0.201 453 K C 1.714 178.328 176.600 0.023 0.000 1.046 453 K CA 0.782 57.087 56.287 0.030 0.000 0.940 453 K CB 0.064 32.578 32.500 0.024 0.000 0.748 453 K HN 0.170 nan 8.250 nan 0.000 0.465 454 L N -1.652 119.584 121.223 0.022 0.000 2.701 454 L HA 0.203 4.543 4.340 0.001 0.000 0.238 454 L C 1.223 178.107 176.870 0.023 0.000 1.106 454 L CA 0.197 55.048 54.840 0.018 0.000 0.898 454 L CB 0.504 42.567 42.059 0.008 0.000 1.188 454 L HN 0.298 nan 8.230 nan 0.000 0.508 455 G N 0.526 109.345 108.800 0.032 0.000 2.162 455 G HA2 -0.262 3.698 3.960 0.001 0.000 0.260 455 G HA3 -0.262 3.698 3.960 0.001 0.000 0.260 455 G C 0.638 175.559 174.900 0.036 0.000 0.976 455 G CA 0.322 45.445 45.100 0.038 0.000 0.655 455 G HN 0.370 nan 8.290 nan 0.000 0.533 456 E N 0.586 120.802 120.200 0.026 0.000 2.416 456 E HA 0.058 4.408 4.350 0.001 0.000 0.189 456 E C 2.064 178.675 176.600 0.018 0.000 1.091 456 E CA 0.795 57.205 56.400 0.016 0.000 0.889 456 E CB -0.422 29.277 29.700 -0.003 0.000 1.015 456 E HN 0.550 nan 8.360 nan 0.000 0.479 457 T N 1.565 116.150 114.554 0.052 0.000 2.685 457 T HA -0.211 4.140 4.350 0.001 0.000 0.268 457 T C 1.459 176.226 174.700 0.110 0.000 1.034 457 T CA 1.713 63.876 62.100 0.104 0.000 1.149 457 T CB 0.005 68.965 68.868 0.154 0.000 0.860 457 T HN 0.213 nan 8.240 nan 0.000 0.449 458 E N 0.982 121.229 120.200 0.077 0.000 2.072 458 E HA -0.038 4.313 4.350 0.001 0.000 0.191 458 E C 2.361 179.004 176.600 0.073 0.000 0.985 458 E CA 0.726 57.172 56.400 0.076 0.000 0.801 458 E CB -0.164 29.572 29.700 0.060 0.000 0.750 458 E HN 0.287 nan 8.360 nan 0.000 0.452 459 K N 0.553 120.980 120.400 0.045 0.000 2.063 459 K HA -0.132 4.189 4.320 0.001 0.000 0.208 459 K C 2.118 178.726 176.600 0.014 0.000 1.048 459 K CA 0.792 57.097 56.287 0.030 0.000 0.928 459 K CB -0.761 31.750 32.500 0.017 0.000 0.713 459 K HN 0.163 nan 8.250 nan 0.000 0.442 460 L N 1.600 122.802 121.223 -0.034 0.000 2.093 460 L HA -0.081 4.259 4.340 0.001 0.000 0.208 460 L C 2.002 178.868 176.870 -0.006 0.000 1.085 460 L CA 1.636 56.389 54.840 -0.145 0.000 0.755 460 L CB -0.751 41.051 42.059 -0.428 0.000 0.904 460 L HN 0.036 nan 8.230 nan 0.000 0.435 461 S N 0.077 115.876 115.700 0.165 0.000 2.351 461 S HA -0.195 4.276 4.470 0.001 0.000 0.220 461 S C 1.981 176.811 174.600 0.383 0.000 1.035 461 S CA 1.943 60.361 58.200 0.363 0.000 1.031 461 S CB -0.541 62.763 63.200 0.173 0.000 0.928 461 S HN 0.500 nan 8.310 nan 0.000 0.433 462 I N 1.347 122.048 120.570 0.219 0.000 2.118 462 I HA -0.318 3.852 4.170 0.001 0.000 0.241 462 I C 2.600 178.785 176.117 0.114 0.000 1.070 462 I CA 1.597 62.989 61.300 0.155 0.000 1.327 462 I CB -0.407 37.650 38.000 0.094 0.000 1.034 462 I HN 0.313 nan 8.210 nan 0.000 0.405 463 M N 0.804 120.450 119.600 0.077 0.000 2.088 463 M HA -0.291 4.189 4.480 0.001 0.000 0.256 463 M C 2.348 178.674 176.300 0.042 0.000 1.071 463 M CA 2.193 57.514 55.300 0.035 0.000 1.097 463 M CB -0.216 32.380 32.600 -0.007 0.000 1.315 463 M HN 0.146 nan 8.290 nan 0.000 0.406 464 I N -0.496 120.124 120.570 0.084 0.000 2.335 464 I HA -0.301 3.870 4.170 0.001 0.000 0.251 464 I C 2.415 178.560 176.117 0.046 0.000 1.129 464 I CA 1.587 62.939 61.300 0.086 0.000 1.402 464 I CB -0.713 37.418 38.000 0.219 0.000 1.069 464 I HN 0.510 nan 8.210 nan 0.000 0.424 465 E N 1.048 121.290 120.200 0.070 0.000 2.107 465 E HA -0.200 4.150 4.350 0.001 0.000 0.191 465 E C 1.937 178.540 176.600 0.004 0.000 0.982 465 E CA 0.800 57.205 56.400 0.008 0.000 0.809 465 E CB 0.187 29.914 29.700 0.045 0.000 0.756 465 E HN 0.406 nan 8.360 nan 0.000 0.459 466 E N 0.349 120.561 120.200 0.019 0.000 2.049 466 E HA -0.215 4.135 4.350 0.001 0.000 0.198 466 E C 2.390 178.987 176.600 -0.005 0.000 1.007 466 E CA 1.574 57.979 56.400 0.008 0.000 0.809 466 E CB -0.666 29.040 29.700 0.009 0.000 0.749 466 E HN 0.542 nan 8.360 nan 0.000 0.450 467 C N -0.680 118.616 119.300 -0.008 0.000 2.576 467 C HA 0.557 5.017 4.460 0.001 0.000 0.267 467 C C 1.628 176.606 174.990 -0.021 0.000 1.364 467 C CA 0.010 59.019 59.018 -0.015 0.000 1.723 467 C CB -0.802 26.928 27.740 -0.017 0.000 1.778 467 C HN 0.498 nan 8.230 nan 0.000 0.572 468 G N 0.226 109.010 108.800 -0.027 0.000 2.142 468 G HA2 -0.052 3.908 3.960 0.001 0.000 0.225 468 G HA3 -0.052 3.908 3.960 0.001 0.000 0.225 468 G C 0.884 175.753 174.900 -0.051 0.000 1.015 468 G CA 0.234 45.309 45.100 -0.041 0.000 0.716 468 G HN 0.931 nan 8.290 nan 0.000 0.508 469 G N -0.066 108.707 108.800 -0.046 0.000 2.408 469 G HA2 0.180 4.141 3.960 0.001 0.000 0.215 469 G HA3 0.180 4.141 3.960 0.001 0.000 0.215 469 G C 1.700 176.545 174.900 -0.092 0.000 1.156 469 G CA 1.429 46.504 45.100 -0.042 0.000 0.793 469 G HN 1.018 nan 8.290 nan 0.000 0.535 470 L N 1.109 122.224 121.223 -0.181 0.000 2.131 470 L HA 0.081 4.422 4.340 0.001 0.000 0.210 470 L C 1.681 178.404 176.870 -0.246 0.000 1.092 470 L CA 1.930 56.537 54.840 -0.389 0.000 0.759 470 L CB -0.568 41.115 42.059 -0.628 0.000 0.903 470 L HN 0.179 nan 8.230 nan 0.000 0.435 471 D N -1.174 119.132 120.400 -0.156 0.000 2.358 471 D HA -0.078 4.563 4.640 0.001 0.000 0.241 471 D C 1.536 177.786 176.300 -0.084 0.000 1.094 471 D CA 0.710 54.646 54.000 -0.107 0.000 0.907 471 D CB 0.147 40.901 40.800 -0.077 0.000 0.893 471 D HN 0.450 nan 8.370 nan 0.000 0.528 472 K N -1.423 118.924 120.400 -0.088 0.000 2.550 472 K HA 0.207 4.528 4.320 0.001 0.000 0.205 472 K C 1.685 178.249 176.600 -0.061 0.000 1.429 472 K CA -0.072 56.175 56.287 -0.067 0.000 0.997 472 K CB 0.561 33.028 32.500 -0.056 0.000 1.328 472 K HN 0.054 nan 8.250 nan 0.000 0.546 473 I N 2.000 122.534 120.570 -0.060 0.000 2.286 473 I HA -0.177 3.994 4.170 0.001 0.000 0.245 473 I C 2.304 178.404 176.117 -0.027 0.000 1.104 473 I CA 1.363 62.651 61.300 -0.019 0.000 1.397 473 I CB -0.043 37.969 38.000 0.021 0.000 1.072 473 I HN 0.218 nan 8.210 nan 0.000 0.417 474 E N 1.213 121.368 120.200 -0.075 0.000 2.401 474 E HA -0.176 4.175 4.350 0.001 0.000 0.199 474 E C 1.962 178.533 176.600 -0.048 0.000 1.023 474 E CA 0.974 57.335 56.400 -0.065 0.000 0.859 474 E CB 0.135 29.770 29.700 -0.109 0.000 0.780 474 E HN 0.522 nan 8.360 nan 0.000 0.523 475 A N -0.020 122.771 122.820 -0.049 0.000 2.085 475 A HA 0.151 4.471 4.320 0.001 0.000 0.208 475 A C 1.711 179.276 177.584 -0.031 0.000 1.191 475 A CA -0.167 51.845 52.037 -0.042 0.000 0.799 475 A CB 0.093 19.066 19.000 -0.046 0.000 0.877 475 A HN 0.236 nan 8.150 nan 0.000 0.473 476 L N 0.268 121.473 121.223 -0.030 0.000 2.675 476 L HA -0.037 4.303 4.340 0.001 0.000 0.239 476 L C 1.972 178.867 176.870 0.041 0.000 1.151 476 L CA 0.231 55.063 54.840 -0.014 0.000 0.905 476 L CB -0.380 41.648 42.059 -0.052 0.000 1.057 476 L HN 0.529 nan 8.230 nan 0.000 0.435 477 Q N 0.212 120.009 119.800 -0.004 0.000 2.212 477 Q HA -0.022 4.318 4.340 0.001 0.000 0.199 477 Q C 0.971 176.853 176.000 -0.196 0.000 0.950 477 Q CA 0.681 56.453 55.803 -0.052 0.000 0.863 477 Q CB 0.176 28.874 28.738 -0.065 0.000 0.944 477 Q HN 0.456 nan 8.270 nan 0.000 0.465 478 R N 0.988 121.419 120.500 -0.116 0.000 4.263 478 R HA 0.131 4.471 4.340 0.001 0.000 0.248 478 R C -0.625 175.678 176.300 0.005 0.000 1.796 478 R CA -0.102 55.926 56.100 -0.121 0.000 1.518 478 R CB -0.210 30.043 30.300 -0.078 0.000 1.342 478 R HN 0.093 nan 8.270 nan 0.000 0.706 479 H N 0.655 119.677 119.070 -0.081 0.000 2.505 479 H HA 0.066 4.622 4.556 0.001 0.000 0.338 479 H C 0.798 176.147 175.328 0.034 0.000 1.057 479 H CA -1.002 55.040 56.048 -0.010 0.000 1.202 479 H CB 1.101 30.875 29.762 0.019 0.000 1.466 479 H HN 0.300 nan 8.280 nan 0.000 0.499 480 E N 2.344 122.335 120.200 -0.348 0.000 2.401 480 E HA -0.301 4.049 4.350 0.001 0.000 0.204 480 E C 0.377 176.893 176.600 -0.140 0.000 1.036 480 E CA 0.809 57.073 56.400 -0.226 0.000 0.856 480 E CB 0.038 29.589 29.700 -0.250 0.000 0.770 480 E HN 0.431 nan 8.360 nan 0.000 0.527 481 N N 1.101 119.702 118.700 -0.165 0.000 2.413 481 N HA -0.048 4.692 4.740 0.001 0.000 0.266 481 N C 0.920 176.510 175.510 0.134 0.000 1.238 481 N CA 0.422 53.483 53.050 0.017 0.000 0.972 481 N CB 1.058 39.607 38.487 0.102 0.000 1.210 481 N HN 0.313 nan 8.380 nan 0.000 0.547 482 E N -0.146 120.103 120.200 0.083 0.000 2.099 482 E HA 0.016 4.366 4.350 0.001 0.000 0.191 482 E C 1.436 178.058 176.600 0.035 0.000 0.962 482 E CA 0.461 56.872 56.400 0.019 0.000 0.826 482 E CB -0.299 29.381 29.700 -0.034 0.000 0.788 482 E HN 0.394 nan 8.360 nan 0.000 0.461 483 S N 1.250 116.988 115.700 0.063 0.000 2.356 483 S HA -0.112 4.359 4.470 0.001 0.000 0.223 483 S C 2.228 176.901 174.600 0.122 0.000 1.032 483 S CA 1.309 59.552 58.200 0.071 0.000 1.005 483 S CB -0.308 62.932 63.200 0.067 0.000 0.867 483 S HN 0.150 nan 8.310 nan 0.000 0.449 484 V N 1.385 121.402 119.914 0.171 0.000 2.231 484 V HA -0.281 3.840 4.120 0.001 0.000 0.248 484 V C 1.891 178.132 176.094 0.244 0.000 1.054 484 V CA 2.271 64.693 62.300 0.203 0.000 1.015 484 V CB -1.041 30.988 31.823 0.344 0.000 0.638 484 V HN 0.604 nan 8.190 nan 0.000 0.444 485 Y N 1.249 121.613 120.300 0.106 0.000 2.002 485 Y HA -0.401 4.149 4.550 0.000 0.000 0.268 485 Y C 2.753 178.686 175.900 0.054 0.000 1.177 485 Y CA 2.353 60.498 58.100 0.075 0.000 1.111 485 Y CB -0.122 38.369 38.460 0.051 0.000 0.952 485 Y HN 0.182 nan 8.280 nan 0.000 0.491 486 K N 0.314 120.899 120.400 0.309 0.000 1.984 486 K HA -0.150 4.170 4.320 0.001 0.000 0.209 486 K C 2.415 179.095 176.600 0.133 0.000 1.046 486 K CA 1.092 57.462 56.287 0.138 0.000 0.934 486 K CB -0.545 31.924 32.500 -0.051 0.000 0.717 486 K HN 0.446 nan 8.250 nan 0.000 0.438 487 A N 1.539 124.425 122.820 0.110 0.000 1.927 487 A HA -0.237 4.083 4.320 0.001 0.000 0.220 487 A C 2.262 179.917 177.584 0.118 0.000 1.185 487 A CA 2.242 54.339 52.037 0.100 0.000 0.639 487 A CB -0.723 18.331 19.000 0.091 0.000 0.820 487 A HN 0.239 nan 8.150 nan 0.000 0.451 488 S N -0.569 115.211 115.700 0.133 0.000 2.349 488 S HA -0.136 4.335 4.470 0.001 0.000 0.216 488 S C 1.876 176.549 174.600 0.122 0.000 1.033 488 S CA 1.316 59.589 58.200 0.122 0.000 1.021 488 S CB -0.680 62.581 63.200 0.101 0.000 0.968 488 S HN 0.532 nan 8.310 nan 0.000 0.426 489 L N 3.225 124.529 121.223 0.134 0.000 2.010 489 L HA -0.230 4.110 4.340 0.001 0.000 0.219 489 L C 2.040 178.960 176.870 0.084 0.000 1.077 489 L CA 2.017 56.927 54.840 0.116 0.000 0.773 489 L CB -1.067 41.100 42.059 0.180 0.000 0.892 489 L HN 0.282 nan 8.230 nan 0.000 0.436 490 N N -0.224 118.521 118.700 0.075 0.000 2.104 490 N HA -0.221 4.520 4.740 0.001 0.000 0.190 490 N C 1.953 177.459 175.510 -0.006 0.000 1.024 490 N CA 2.114 55.175 53.050 0.019 0.000 0.853 490 N CB -0.299 38.201 38.487 0.021 0.000 1.008 490 N HN 0.523 nan 8.380 nan 0.000 0.424 491 L N 0.446 121.712 121.223 0.073 0.000 1.989 491 L HA -0.196 4.145 4.340 0.001 0.000 0.211 491 L C 2.361 179.322 176.870 0.152 0.000 1.071 491 L CA 0.839 55.756 54.840 0.128 0.000 0.749 491 L CB -0.428 41.772 42.059 0.235 0.000 0.890 491 L HN 0.175 nan 8.230 nan 0.000 0.431 492 I N 0.030 120.735 120.570 0.225 0.000 2.058 492 I HA -0.343 3.827 4.170 0.001 0.000 0.235 492 I C 2.532 178.721 176.117 0.120 0.000 1.053 492 I CA 1.723 63.205 61.300 0.304 0.000 1.313 492 I CB -1.376 36.723 38.000 0.164 0.000 1.039 492 I HN 0.450 nan 8.210 nan 0.000 0.396 493 E N 1.333 121.555 120.200 0.037 0.000 2.136 493 E HA -0.343 4.007 4.350 0.001 0.000 0.208 493 E C 2.238 178.753 176.600 -0.141 0.000 1.035 493 E CA 2.533 58.913 56.400 -0.032 0.000 0.838 493 E CB -0.166 29.518 29.700 -0.026 0.000 0.748 493 E HN 0.425 nan 8.360 nan 0.000 0.459 494 K N -1.613 118.625 120.400 -0.271 0.000 2.305 494 K HA -0.073 4.248 4.320 0.001 0.000 0.199 494 K C 0.673 176.747 176.600 -0.876 0.000 1.047 494 K CA 0.818 56.768 56.287 -0.561 0.000 0.976 494 K CB 0.240 32.313 32.500 -0.712 0.000 0.765 494 K HN 0.212 nan 8.250 nan 0.000 0.474 495 Y N -1.828 118.210 120.300 -0.435 0.000 2.563 495 Y HA 0.252 4.802 4.550 0.000 0.000 0.250 495 Y C -0.367 174.984 175.900 -0.914 0.000 1.126 495 Y CA -0.574 57.055 58.100 -0.784 0.000 1.231 495 Y CB 0.895 38.473 38.460 -1.470 0.000 1.288 495 Y HN -0.097 nan 8.280 nan 0.000 0.537 496 F N -0.446 119.498 119.950 -0.010 0.000 2.688 496 F HA 0.468 4.996 4.527 0.000 0.000 0.376 496 F C 0.418 176.217 175.800 -0.001 0.000 1.428 496 F CA -0.756 57.256 58.000 0.020 0.000 1.156 496 F CB 0.804 39.824 39.000 0.033 0.000 1.141 496 F HN -0.191 nan 8.300 nan 0.000 0.521 497 S N 0.000 115.747 115.700 0.078 0.000 2.498 497 S HA 0.000 4.470 4.470 0.001 0.000 0.327 497 S CA 0.000 58.228 58.200 0.047 0.000 1.107 497 S CB 0.000 63.206 63.200 0.010 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517