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 3n0g_1_B DATA FIRST_RESID 63 DATA SEQUENCE NSWDYDFLLS XXXXXXXXVY KDKAKKLEAE VRREINNEKA EFLTLLELID DATA SEQUENCE NVQRLGLGYR FESDIRRALD RFVSSGGFDG VTKTSLHATA LSFRLLRQHG DATA SEQUENCE FEVSQEAFSG FKDQNGNFLE NLKEDTKAIL SLYEASFLAL EGENILDEAR DATA SEQUENCE VFAISHLKEL SEEKIGKELA EQVNHALELP LHRRTQRLEA VWSIEAYRKK DATA SEQUENCE EDANQVLLEL AILDYNMIQS VYQRDLRETS RWWRRVGLAT KLHFARDRLI DATA SEQUENCE ESFYWAVGVA FEPQYSDCRN SVAKMFSFVT IIDDIYDVYG TLDELELFTD DATA SEQUENCE AVERWDVNAI NDLPDYMKLC FLALYNTINE IAYDNLKDKG ENILPYLTKA DATA SEQUENCE WADLCNAFLQ EAKWLYNKST PTFDDYFGNA WKSSSGPLQL IFAYFAVVQN DATA SEQUENCE IKKEEIENLQ KYHDIISRPS HIFRLCNDLA SASAEIARGE TANSVSCYMR DATA SEQUENCE TKGISEELAT ESVMNLIDET WKKMNKEKLG GSLFAKPFVE TAINLARQSH DATA SEQUENCE CTYHNGDAHT SPDELTRKRV LSVITEPILP FE 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 63 N HA 0.000 nan 4.740 nan 0.000 0.220 63 N C 0.000 175.117 175.510 -0.655 0.000 1.280 63 N CA 0.000 52.560 53.050 -0.816 0.000 0.885 63 N CB 0.000 37.610 38.487 -1.462 0.000 1.341 64 S N 0.236 115.534 115.700 -0.671 0.000 2.447 64 S HA -0.067 4.404 4.470 0.001 0.000 0.233 64 S C 1.105 175.591 174.600 -0.191 0.000 1.006 64 S CA 0.722 58.722 58.200 -0.334 0.000 0.957 64 S CB -0.135 62.934 63.200 -0.218 0.000 0.773 64 S HN 0.718 nan 8.310 nan 0.000 0.507 65 W N 1.330 122.599 121.300 -0.052 0.000 3.278 65 W HA 0.376 5.037 4.660 0.002 0.000 0.308 65 W C -0.887 175.517 176.519 -0.193 0.000 1.253 65 W CA -0.924 56.373 57.345 -0.081 0.000 1.759 65 W CB -0.731 28.739 29.460 0.017 0.000 1.093 65 W HN 0.038 nan 8.180 nan 0.000 0.648 66 D N 1.370 121.682 120.400 -0.148 0.000 2.449 66 D HA -0.115 4.526 4.640 0.001 0.000 0.236 66 D C 0.641 176.859 176.300 -0.136 0.000 1.149 66 D CA 0.594 54.493 54.000 -0.168 0.000 0.878 66 D CB 0.881 41.602 40.800 -0.133 0.000 1.198 66 D HN -0.006 nan 8.370 nan 0.000 0.446 67 Y N 0.555 120.861 120.300 0.011 0.000 2.509 67 Y HA -0.080 4.471 4.550 0.001 0.000 0.293 67 Y C 1.781 177.627 175.900 -0.089 0.000 1.133 67 Y CA 0.619 58.722 58.100 0.005 0.000 1.283 67 Y CB -0.059 38.417 38.460 0.027 0.000 1.001 67 Y HN 0.348 nan 8.280 nan 0.000 0.555 68 D N -1.160 119.151 120.400 -0.149 0.000 2.234 68 D HA -0.070 4.571 4.640 0.001 0.000 0.205 68 D C 0.616 176.684 176.300 -0.387 0.000 0.962 68 D CA 1.058 54.831 54.000 -0.378 0.000 0.855 68 D CB -0.188 40.161 40.800 -0.751 0.000 0.951 68 D HN 0.223 nan 8.370 nan 0.000 0.500 69 F N -0.246 119.706 119.950 0.003 0.000 2.684 69 F HA 0.421 4.949 4.527 0.001 0.000 0.298 69 F C 1.188 176.984 175.800 -0.008 0.000 1.120 69 F CA -0.161 57.826 58.000 -0.023 0.000 1.332 69 F CB 0.208 39.163 39.000 -0.075 0.000 0.986 69 F HN -0.096 nan 8.300 nan 0.000 0.524 70 L N -1.198 120.107 121.223 0.137 0.000 3.316 70 L HA 0.309 4.650 4.340 0.001 0.000 0.300 70 L C -0.236 176.701 176.870 0.112 0.000 1.128 70 L CA 0.268 55.179 54.840 0.119 0.000 1.111 70 L CB 0.712 42.841 42.059 0.117 0.000 1.687 70 L HN -0.104 nan 8.230 nan 0.000 0.594 71 L N 0.368 121.666 121.223 0.125 0.000 2.825 71 L HA 0.431 4.772 4.340 0.001 0.000 0.236 71 L C -0.335 176.574 176.870 0.065 0.000 1.301 71 L CA 0.312 55.213 54.840 0.103 0.000 0.977 71 L CB 0.765 42.920 42.059 0.160 0.000 1.300 71 L HN -0.030 nan 8.230 nan 0.000 0.486 82 Y N 1.055 121.337 120.300 -0.030 0.000 2.242 82 Y HA 0.029 4.580 4.550 0.001 0.000 0.291 82 Y C 2.685 178.530 175.900 -0.092 0.000 1.137 82 Y CA 2.734 60.806 58.100 -0.047 0.000 1.181 82 Y CB 0.051 38.496 38.460 -0.025 0.000 0.989 82 Y HN 0.759 nan 8.280 nan 0.000 0.527 83 K N -0.074 120.416 120.400 0.149 0.000 2.025 83 K HA -0.197 4.123 4.320 0.001 0.000 0.207 83 K C 1.575 178.141 176.600 -0.057 0.000 1.049 83 K CA 1.940 58.255 56.287 0.047 0.000 0.933 83 K CB -0.334 32.208 32.500 0.069 0.000 0.714 83 K HN 0.239 nan 8.250 nan 0.000 0.438 84 D N 0.775 121.153 120.400 -0.037 0.000 2.218 84 D HA -0.143 4.498 4.640 0.001 0.000 0.204 84 D C 1.818 178.060 176.300 -0.097 0.000 0.976 84 D CA 0.977 54.945 54.000 -0.053 0.000 0.853 84 D CB 0.099 40.880 40.800 -0.031 0.000 0.939 84 D HN 0.149 nan 8.370 nan 0.000 0.481 85 K N 1.293 121.606 120.400 -0.144 0.000 2.025 85 K HA -0.016 4.304 4.320 0.001 0.000 0.207 85 K C 1.841 178.301 176.600 -0.233 0.000 1.049 85 K CA 1.490 57.664 56.287 -0.189 0.000 0.933 85 K CB -0.543 31.802 32.500 -0.258 0.000 0.714 85 K HN -0.034 nan 8.250 nan 0.000 0.438 86 A N 1.218 123.830 122.820 -0.347 0.000 1.883 86 A HA -0.216 4.105 4.320 0.001 0.000 0.217 86 A C 1.968 179.382 177.584 -0.283 0.000 1.186 86 A CA 2.158 53.899 52.037 -0.493 0.000 0.624 86 A CB -0.590 17.716 19.000 -1.157 0.000 0.822 86 A HN 0.431 nan 8.150 nan 0.000 0.444 87 K N -0.103 120.188 120.400 -0.181 0.000 2.044 87 K HA -0.244 4.077 4.320 0.001 0.000 0.210 87 K C 2.237 178.852 176.600 0.025 0.000 1.049 87 K CA 1.847 58.155 56.287 0.035 0.000 0.927 87 K CB -0.270 32.250 32.500 0.034 0.000 0.713 87 K HN 0.581 nan 8.250 nan 0.000 0.443 88 K N 1.600 121.983 120.400 -0.029 0.000 2.044 88 K HA -0.193 4.127 4.320 0.001 0.000 0.210 88 K C 2.089 178.679 176.600 -0.017 0.000 1.049 88 K CA 1.501 57.773 56.287 -0.024 0.000 0.927 88 K CB -0.178 32.292 32.500 -0.050 0.000 0.713 88 K HN 0.106 nan 8.250 nan 0.000 0.443 89 L N 0.676 121.873 121.223 -0.042 0.000 2.005 89 L HA -0.144 4.197 4.340 0.001 0.000 0.207 89 L C 2.786 179.687 176.870 0.051 0.000 1.072 89 L CA 1.678 56.498 54.840 -0.033 0.000 0.744 89 L CB -0.727 41.280 42.059 -0.086 0.000 0.895 89 L HN 0.389 nan 8.230 nan 0.000 0.433 90 E N 0.615 120.897 120.200 0.137 0.000 2.086 90 E HA -0.303 4.048 4.350 0.001 0.000 0.200 90 E C 2.194 178.939 176.600 0.241 0.000 1.012 90 E CA 1.568 58.151 56.400 0.305 0.000 0.812 90 E CB -0.032 29.903 29.700 0.392 0.000 0.743 90 E HN 0.463 nan 8.360 nan 0.000 0.453 91 A N 0.906 123.813 122.820 0.145 0.000 1.883 91 A HA -0.272 4.048 4.320 0.001 0.000 0.217 91 A C 2.077 179.686 177.584 0.042 0.000 1.186 91 A CA 1.842 53.938 52.037 0.098 0.000 0.624 91 A CB -0.697 18.340 19.000 0.062 0.000 0.822 91 A HN 0.456 nan 8.150 nan 0.000 0.444 92 E N -0.416 119.792 120.200 0.014 0.000 2.085 92 E HA -0.152 4.199 4.350 0.001 0.000 0.194 92 E C 1.900 178.460 176.600 -0.066 0.000 0.994 92 E CA 1.508 57.895 56.400 -0.023 0.000 0.801 92 E CB -0.147 29.536 29.700 -0.028 0.000 0.743 92 E HN 0.332 nan 8.360 nan 0.000 0.453 93 V N 1.678 121.530 119.914 -0.104 0.000 2.295 93 V HA -0.264 3.857 4.120 0.001 0.000 0.246 93 V C 2.631 178.527 176.094 -0.329 0.000 1.049 93 V CA 2.025 64.165 62.300 -0.266 0.000 1.024 93 V CB -0.726 30.826 31.823 -0.452 0.000 0.648 93 V HN 0.341 nan 8.190 nan 0.000 0.447 94 R N 0.827 121.197 120.500 -0.217 0.000 2.105 94 R HA -0.218 4.123 4.340 0.001 0.000 0.239 94 R C 2.355 178.619 176.300 -0.060 0.000 1.135 94 R CA 2.188 58.234 56.100 -0.090 0.000 0.967 94 R CB -0.524 29.853 30.300 0.129 0.000 0.861 94 R HN 0.496 nan 8.270 nan 0.000 0.442 95 R N 0.231 120.703 120.500 -0.047 0.000 2.081 95 R HA -0.107 4.234 4.340 0.001 0.000 0.235 95 R C 1.879 178.147 176.300 -0.054 0.000 1.131 95 R CA 1.671 57.752 56.100 -0.033 0.000 0.960 95 R CB -0.038 30.247 30.300 -0.024 0.000 0.856 95 R HN 0.198 nan 8.270 nan 0.000 0.436 96 E N 0.499 120.649 120.200 -0.084 0.000 2.150 96 E HA -0.133 4.218 4.350 0.001 0.000 0.193 96 E C 1.989 178.533 176.600 -0.092 0.000 0.985 96 E CA 0.968 57.316 56.400 -0.085 0.000 0.814 96 E CB -0.031 29.611 29.700 -0.097 0.000 0.752 96 E HN 0.511 nan 8.360 nan 0.000 0.466 97 I N 1.150 121.646 120.570 -0.123 0.000 2.617 97 I HA -0.141 4.029 4.170 0.001 0.000 0.256 97 I C 1.675 177.763 176.117 -0.047 0.000 1.167 97 I CA 0.583 61.820 61.300 -0.104 0.000 1.469 97 I CB -0.181 37.728 38.000 -0.152 0.000 1.098 97 I HN -0.001 nan 8.210 nan 0.000 0.436 98 N N 1.129 119.808 118.700 -0.034 0.000 2.422 98 N HA -0.047 4.694 4.740 0.001 0.000 0.181 98 N C 0.552 176.056 175.510 -0.010 0.000 1.080 98 N CA 0.115 53.162 53.050 -0.005 0.000 0.893 98 N CB -0.209 38.284 38.487 0.010 0.000 0.973 98 N HN 0.227 nan 8.380 nan 0.000 0.456 99 N N 2.412 121.095 118.700 -0.029 0.000 2.418 99 N HA -0.084 4.657 4.740 0.001 0.000 0.277 99 N C 0.300 175.783 175.510 -0.046 0.000 1.317 99 N CA 0.495 53.523 53.050 -0.036 0.000 0.922 99 N CB 0.223 38.681 38.487 -0.047 0.000 1.194 99 N HN 0.126 nan 8.380 nan 0.000 0.485 100 E N 2.502 122.679 120.200 -0.038 0.000 2.416 100 E HA 0.000 4.351 4.350 0.001 0.000 0.189 100 E C 0.101 176.642 176.600 -0.100 0.000 1.091 100 E CA 0.329 56.698 56.400 -0.052 0.000 0.889 100 E CB 0.241 29.932 29.700 -0.014 0.000 1.015 100 E HN 0.613 nan 8.360 nan 0.000 0.479 101 K N 0.132 120.472 120.400 -0.101 0.000 2.469 101 K HA 0.261 4.581 4.320 0.001 0.000 0.204 101 K C -0.006 176.516 176.600 -0.130 0.000 1.047 101 K CA -0.285 55.937 56.287 -0.109 0.000 1.072 101 K CB 1.487 33.947 32.500 -0.067 0.000 0.863 101 K HN -0.065 nan 8.250 nan 0.000 0.530 102 A N 1.559 124.284 122.820 -0.159 0.000 2.304 102 A HA 0.251 4.572 4.320 0.001 0.000 0.301 102 A C -0.103 177.353 177.584 -0.214 0.000 1.132 102 A CA -0.531 51.421 52.037 -0.142 0.000 0.819 102 A CB 0.440 19.379 19.000 -0.102 0.000 1.094 102 A HN 0.080 nan 8.150 nan 0.000 0.492 103 E N 1.959 122.083 120.200 -0.126 0.000 2.351 103 E HA 0.043 4.394 4.350 0.001 0.000 0.266 103 E C 0.158 176.736 176.600 -0.037 0.000 1.031 103 E CA 0.080 56.424 56.400 -0.093 0.000 0.911 103 E CB 0.058 29.752 29.700 -0.010 0.000 0.986 103 E HN 0.569 nan 8.360 nan 0.000 0.446 104 F N 1.726 121.695 119.950 0.032 0.000 2.085 104 F HA -0.298 4.230 4.527 0.001 0.000 0.299 104 F C 2.130 177.879 175.800 -0.084 0.000 1.096 104 F CA 1.247 59.242 58.000 -0.008 0.000 1.227 104 F CB -0.736 38.344 39.000 0.133 0.000 0.983 104 F HN 0.429 nan 8.300 nan 0.000 0.482 105 L N -0.105 121.224 121.223 0.177 0.000 2.042 105 L HA -0.201 4.140 4.340 0.001 0.000 0.210 105 L C 2.268 179.170 176.870 0.053 0.000 1.076 105 L CA 2.319 57.208 54.840 0.082 0.000 0.749 105 L CB -1.392 40.736 42.059 0.114 0.000 0.893 105 L HN 0.182 nan 8.230 nan 0.000 0.432 106 T N 0.199 114.785 114.554 0.053 0.000 2.746 106 T HA -0.163 4.188 4.350 0.001 0.000 0.267 106 T C 1.893 176.598 174.700 0.009 0.000 1.039 106 T CA 1.403 63.523 62.100 0.033 0.000 1.142 106 T CB -0.416 68.462 68.868 0.016 0.000 0.866 106 T HN 0.261 nan 8.240 nan 0.000 0.444 107 L N 0.971 122.193 121.223 -0.002 0.000 2.056 107 L HA 0.034 4.375 4.340 0.001 0.000 0.207 107 L C 2.234 179.072 176.870 -0.053 0.000 1.078 107 L CA 1.655 56.481 54.840 -0.024 0.000 0.749 107 L CB -1.015 41.045 42.059 0.002 0.000 0.901 107 L HN 0.329 nan 8.230 nan 0.000 0.433 108 L N -0.239 120.934 121.223 -0.084 0.000 2.083 108 L HA -0.226 4.115 4.340 0.001 0.000 0.209 108 L C 2.555 179.387 176.870 -0.062 0.000 1.083 108 L CA 1.277 56.033 54.840 -0.140 0.000 0.752 108 L CB -0.402 41.519 42.059 -0.230 0.000 0.899 108 L HN 0.335 nan 8.230 nan 0.000 0.433 109 E N -0.141 120.052 120.200 -0.011 0.000 2.150 109 E HA -0.235 4.116 4.350 0.001 0.000 0.193 109 E C 2.074 178.680 176.600 0.009 0.000 0.985 109 E CA 0.874 57.295 56.400 0.036 0.000 0.814 109 E CB -0.090 29.662 29.700 0.087 0.000 0.752 109 E HN 0.282 nan 8.360 nan 0.000 0.466 110 L N 1.316 122.530 121.223 -0.015 0.000 1.994 110 L HA -0.150 4.191 4.340 0.001 0.000 0.208 110 L C 2.073 178.904 176.870 -0.064 0.000 1.071 110 L CA 1.543 56.359 54.840 -0.041 0.000 0.745 110 L CB -0.371 41.654 42.059 -0.056 0.000 0.892 110 L HN 0.062 nan 8.230 nan 0.000 0.431 111 I N -0.078 120.454 120.570 -0.063 0.000 2.163 111 I HA -0.320 3.850 4.170 0.001 0.000 0.243 111 I C 2.281 178.386 176.117 -0.020 0.000 1.085 111 I CA 1.808 63.075 61.300 -0.054 0.000 1.347 111 I CB -0.621 37.338 38.000 -0.069 0.000 1.044 111 I HN 0.394 nan 8.210 nan 0.000 0.408 112 D N 1.071 121.465 120.400 -0.011 0.000 2.123 112 D HA -0.199 4.441 4.640 0.001 0.000 0.196 112 D C 1.933 178.228 176.300 -0.009 0.000 0.992 112 D CA 1.477 55.486 54.000 0.015 0.000 0.833 112 D CB -0.105 40.718 40.800 0.038 0.000 0.954 112 D HN 0.200 nan 8.370 nan 0.000 0.455 113 N N -0.259 118.409 118.700 -0.053 0.000 2.106 113 N HA -0.111 4.630 4.740 0.001 0.000 0.188 113 N C 2.078 177.497 175.510 -0.151 0.000 1.029 113 N CA 0.882 53.840 53.050 -0.154 0.000 0.848 113 N CB -0.418 37.922 38.487 -0.243 0.000 1.007 113 N HN 0.128 nan 8.380 nan 0.000 0.423 114 V N 2.172 122.025 119.914 -0.102 0.000 2.282 114 V HA -0.272 3.849 4.120 0.001 0.000 0.249 114 V C 2.471 178.575 176.094 0.017 0.000 1.057 114 V CA 1.703 63.975 62.300 -0.047 0.000 1.032 114 V CB -0.555 31.238 31.823 -0.049 0.000 0.645 114 V HN 0.367 nan 8.190 nan 0.000 0.447 115 Q N -0.570 119.248 119.800 0.030 0.000 2.020 115 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 115 Q C 2.519 178.534 176.000 0.026 0.000 0.982 115 Q CA 1.607 57.444 55.803 0.058 0.000 0.838 115 Q CB -0.251 28.537 28.738 0.083 0.000 0.899 115 Q HN 0.595 nan 8.270 nan 0.000 0.423 116 R N 0.451 120.956 120.500 0.007 0.000 2.120 116 R HA -0.092 4.249 4.340 0.001 0.000 0.234 116 R C 2.165 178.463 176.300 -0.004 0.000 1.123 116 R CA 0.881 56.988 56.100 0.012 0.000 0.975 116 R CB -0.350 29.972 30.300 0.036 0.000 0.866 116 R HN 0.261 nan 8.270 nan 0.000 0.446 117 L N -0.021 121.177 121.223 -0.041 0.000 2.549 117 L HA 0.021 4.362 4.340 0.001 0.000 0.229 117 L C 1.127 178.014 176.870 0.029 0.000 1.158 117 L CA 0.739 55.553 54.840 -0.043 0.000 0.842 117 L CB -0.189 41.811 42.059 -0.098 0.000 0.952 117 L HN 0.519 nan 8.230 nan 0.000 0.452 118 G N -0.222 108.605 108.800 0.045 0.000 2.131 118 G HA2 -0.260 3.701 3.960 0.001 0.000 0.223 118 G HA3 -0.260 3.701 3.960 0.001 0.000 0.223 118 G C 0.509 175.545 174.900 0.226 0.000 0.990 118 G CA 0.054 45.212 45.100 0.098 0.000 0.671 118 G HN 0.325 nan 8.290 nan 0.000 0.521 119 L N 0.306 121.622 121.223 0.156 0.000 2.693 119 L HA 0.309 4.650 4.340 0.001 0.000 0.235 119 L C 2.659 179.521 176.870 -0.014 0.000 1.127 119 L CA 0.584 55.474 54.840 0.083 0.000 0.914 119 L CB -0.022 42.168 42.059 0.218 0.000 1.193 119 L HN 0.253 nan 8.230 nan 0.000 0.502 120 G N 1.226 110.089 108.800 0.105 0.000 2.469 120 G HA2 -0.369 3.592 3.960 0.001 0.000 0.219 120 G HA3 -0.369 3.592 3.960 0.001 0.000 0.219 120 G C 1.407 176.301 174.900 -0.011 0.000 1.150 120 G CA 1.373 46.541 45.100 0.112 0.000 0.763 120 G HN 0.611 nan 8.290 nan 0.000 0.561 121 Y N 0.174 120.431 120.300 -0.072 0.000 2.483 121 Y HA 0.090 4.641 4.550 0.001 0.000 0.291 121 Y C 2.424 177.884 175.900 -0.733 0.000 1.143 121 Y CA 1.190 59.138 58.100 -0.253 0.000 1.289 121 Y CB -0.239 38.105 38.460 -0.193 0.000 0.983 121 Y HN 0.182 nan 8.280 nan 0.000 0.556 122 R N -0.703 118.806 120.500 -1.652 0.000 2.223 122 R HA 0.141 4.481 4.340 0.001 0.000 0.198 122 R C -0.093 175.395 176.300 -1.354 0.000 0.984 122 R CA 0.426 55.316 56.100 -2.016 0.000 1.018 122 R CB 0.037 29.117 30.300 -2.032 0.000 0.945 122 R HN 0.386 nan 8.270 nan 0.000 0.479 123 F N 0.236 119.983 119.950 -0.338 0.000 2.805 123 F HA 0.300 4.828 4.527 0.002 0.000 0.317 123 F C 1.404 177.182 175.800 -0.036 0.000 1.146 123 F CA -0.686 57.245 58.000 -0.115 0.000 1.265 123 F CB 0.473 39.418 39.000 -0.092 0.000 0.992 123 F HN -0.044 nan 8.300 nan 0.000 0.511 124 E N 1.136 121.374 120.200 0.063 0.000 2.065 124 E HA -0.246 4.105 4.350 0.001 0.000 0.201 124 E C 2.210 178.899 176.600 0.149 0.000 1.016 124 E CA 2.272 58.758 56.400 0.145 0.000 0.818 124 E CB 0.049 29.828 29.700 0.133 0.000 0.749 124 E HN 0.440 nan 8.360 nan 0.000 0.453 125 S N 0.615 116.403 115.700 0.147 0.000 2.368 125 S HA -0.196 4.275 4.470 0.001 0.000 0.225 125 S C 1.638 176.309 174.600 0.118 0.000 1.030 125 S CA 1.742 60.021 58.200 0.132 0.000 0.999 125 S CB -0.574 62.707 63.200 0.134 0.000 0.844 125 S HN 0.223 nan 8.310 nan 0.000 0.459 126 D N 1.843 122.327 120.400 0.140 0.000 2.117 126 D HA 0.026 4.667 4.640 0.001 0.000 0.197 126 D C 1.867 178.203 176.300 0.061 0.000 0.987 126 D CA 1.326 55.393 54.000 0.112 0.000 0.829 126 D CB -0.361 40.528 40.800 0.148 0.000 0.961 126 D HN 0.405 nan 8.370 nan 0.000 0.460 127 I N 0.622 121.220 120.570 0.047 0.000 2.179 127 I HA -0.255 3.916 4.170 0.001 0.000 0.242 127 I C 2.429 178.490 176.117 -0.092 0.000 1.088 127 I CA 1.113 62.378 61.300 -0.059 0.000 1.357 127 I CB -0.183 37.745 38.000 -0.119 0.000 1.051 127 I HN -0.021 nan 8.210 nan 0.000 0.409 128 R N 0.430 120.913 120.500 -0.029 0.000 2.083 128 R HA -0.153 4.187 4.340 0.001 0.000 0.237 128 R C 2.451 178.842 176.300 0.152 0.000 1.137 128 R CA 1.364 57.517 56.100 0.088 0.000 0.951 128 R CB -0.352 30.025 30.300 0.128 0.000 0.851 128 R HN 0.380 nan 8.270 nan 0.000 0.434 129 R N 0.118 120.683 120.500 0.108 0.000 2.096 129 R HA -0.078 4.262 4.340 0.001 0.000 0.235 129 R C 2.308 178.667 176.300 0.099 0.000 1.127 129 R CA 1.249 57.416 56.100 0.112 0.000 0.968 129 R CB -0.303 30.051 30.300 0.089 0.000 0.861 129 R HN 0.217 nan 8.270 nan 0.000 0.440 130 A N 1.344 124.203 122.820 0.065 0.000 1.855 130 A HA -0.119 4.202 4.320 0.001 0.000 0.215 130 A C 2.176 179.799 177.584 0.066 0.000 1.191 130 A CA 1.066 53.144 52.037 0.070 0.000 0.613 130 A CB -0.571 18.440 19.000 0.018 0.000 0.829 130 A HN 0.171 nan 8.150 nan 0.000 0.442 131 L N -0.530 120.676 121.223 -0.028 0.000 2.131 131 L HA -0.194 4.146 4.340 0.001 0.000 0.210 131 L C 2.323 179.056 176.870 -0.228 0.000 1.092 131 L CA 1.400 56.148 54.840 -0.153 0.000 0.759 131 L CB -0.492 41.413 42.059 -0.258 0.000 0.903 131 L HN 0.426 nan 8.230 nan 0.000 0.435 132 D N 0.701 121.093 120.400 -0.014 0.000 2.097 132 D HA -0.174 4.467 4.640 0.001 0.000 0.197 132 D C 2.072 178.391 176.300 0.032 0.000 0.984 132 D CA 1.176 55.223 54.000 0.079 0.000 0.826 132 D CB 0.116 41.069 40.800 0.254 0.000 0.973 132 D HN 0.402 nan 8.370 nan 0.000 0.460 133 R N -0.255 120.304 120.500 0.098 0.000 2.323 133 R HA -0.004 4.337 4.340 0.001 0.000 0.198 133 R C 2.035 178.447 176.300 0.186 0.000 0.988 133 R CA 0.255 56.438 56.100 0.137 0.000 1.041 133 R CB -0.710 29.692 30.300 0.171 0.000 0.926 133 R HN 0.242 nan 8.270 nan 0.000 0.476 134 F N 0.394 120.262 119.950 -0.136 0.000 2.374 134 F HA 0.059 4.587 4.527 0.001 0.000 0.291 134 F C 1.633 177.162 175.800 -0.453 0.000 1.084 134 F CA 0.304 57.993 58.000 -0.520 0.000 1.413 134 F CB 0.269 38.931 39.000 -0.563 0.000 1.099 134 F HN -0.194 nan 8.300 nan 0.000 0.534 135 V N 0.848 120.457 119.914 -0.509 0.000 2.239 135 V HA -0.253 3.868 4.120 0.001 0.000 0.242 135 V C 2.711 178.634 176.094 -0.284 0.000 1.038 135 V CA 1.987 63.984 62.300 -0.505 0.000 1.002 135 V CB -1.025 30.566 31.823 -0.387 0.000 0.641 135 V HN 0.557 nan 8.190 nan 0.000 0.449 136 S N 1.765 117.381 115.700 -0.140 0.000 2.380 136 S HA -0.269 4.202 4.470 0.001 0.000 0.229 136 S C 1.977 176.544 174.600 -0.055 0.000 1.043 136 S CA 1.983 60.149 58.200 -0.057 0.000 1.038 136 S CB -1.053 62.150 63.200 0.006 0.000 0.872 136 S HN 0.757 nan 8.310 nan 0.000 0.456 137 S N 0.846 116.517 115.700 -0.048 0.000 2.603 137 S HA 0.314 4.785 4.470 0.001 0.000 0.229 137 S C 1.731 176.290 174.600 -0.068 0.000 0.972 137 S CA 0.723 58.935 58.200 0.020 0.000 0.935 137 S CB -1.165 62.166 63.200 0.219 0.000 0.769 137 S HN 1.630 nan 8.310 nan 0.000 0.536 138 G N 0.592 109.280 108.800 -0.186 0.000 2.196 138 G HA2 -0.300 3.661 3.960 0.001 0.000 0.268 138 G HA3 -0.300 3.661 3.960 0.001 0.000 0.268 138 G C 1.029 175.761 174.900 -0.280 0.000 0.975 138 G CA 0.341 45.318 45.100 -0.205 0.000 0.648 138 G HN 1.032 nan 8.290 nan 0.000 0.538 139 G N 0.152 108.709 108.800 -0.405 0.000 2.469 139 G HA2 -0.116 3.845 3.960 0.001 0.000 0.220 139 G HA3 -0.116 3.845 3.960 0.001 0.000 0.220 139 G C 1.432 176.078 174.900 -0.423 0.000 1.136 139 G CA 1.530 46.407 45.100 -0.372 0.000 0.759 139 G HN 0.796 nan 8.290 nan 0.000 0.562 140 F N 1.600 120.890 119.950 -1.099 0.000 2.333 140 F HA -0.006 4.521 4.527 0.002 0.000 0.300 140 F C 1.931 177.564 175.800 -0.277 0.000 1.083 140 F CA 1.229 58.808 58.000 -0.702 0.000 1.395 140 F CB -0.088 38.401 39.000 -0.851 0.000 1.056 140 F HN 0.149 nan 8.300 nan 0.000 0.529 141 D N -0.320 119.862 120.400 -0.363 0.000 2.137 141 D HA -0.040 4.600 4.640 0.001 0.000 0.202 141 D C 2.420 178.571 176.300 -0.249 0.000 0.970 141 D CA 1.400 55.196 54.000 -0.340 0.000 0.837 141 D CB -0.575 40.099 40.800 -0.210 0.000 0.981 141 D HN 0.328 nan 8.370 nan 0.000 0.475 142 G N -0.180 108.529 108.800 -0.152 0.000 2.572 142 G HA2 -0.072 3.889 3.960 0.001 0.000 0.216 142 G HA3 -0.072 3.889 3.960 0.001 0.000 0.216 142 G C 1.769 176.649 174.900 -0.033 0.000 1.133 142 G CA 0.462 45.519 45.100 -0.071 0.000 0.791 142 G HN 0.239 nan 8.290 nan 0.000 0.538 143 V N 1.683 121.579 119.914 -0.030 0.000 2.323 143 V HA -0.147 3.973 4.120 0.001 0.000 0.244 143 V C 3.272 179.378 176.094 0.021 0.000 1.041 143 V CA 2.309 64.650 62.300 0.068 0.000 1.025 143 V CB -0.801 31.166 31.823 0.239 0.000 0.656 143 V HN 0.597 nan 8.190 nan 0.000 0.451 144 T N -1.890 112.566 114.554 -0.164 0.000 3.051 144 T HA -0.147 4.204 4.350 0.001 0.000 0.269 144 T C 1.285 175.923 174.700 -0.104 0.000 1.127 144 T CA 1.097 63.114 62.100 -0.138 0.000 1.107 144 T CB -0.290 68.322 68.868 -0.428 0.000 0.898 144 T HN 0.487 nan 8.240 nan 0.000 0.517 145 K N 0.825 121.161 120.400 -0.107 0.000 2.440 145 K HA 0.216 4.537 4.320 0.001 0.000 0.206 145 K C 1.268 177.854 176.600 -0.023 0.000 1.025 145 K CA 0.444 56.661 56.287 -0.115 0.000 1.135 145 K CB 0.708 33.133 32.500 -0.124 0.000 0.856 145 K HN 0.592 nan 8.250 nan 0.000 0.502 146 T N -4.387 110.205 114.554 0.064 0.000 3.254 146 T HA 0.069 4.420 4.350 0.001 0.000 0.267 146 T C 0.524 175.331 174.700 0.178 0.000 0.946 146 T CA -0.305 61.856 62.100 0.101 0.000 0.991 146 T CB 0.566 69.485 68.868 0.085 0.000 1.205 146 T HN -0.042 nan 8.240 nan 0.000 0.494 147 S N 0.356 116.194 115.700 0.230 0.000 2.557 147 S HA 0.602 5.073 4.470 0.001 0.000 0.291 147 S C 0.516 175.269 174.600 0.254 0.000 1.116 147 S CA -0.907 57.436 58.200 0.240 0.000 0.992 147 S CB 1.618 64.930 63.200 0.187 0.000 1.028 147 S HN 0.410 nan 8.310 nan 0.000 0.484 148 L N 3.788 125.078 121.223 0.112 0.000 1.994 148 L HA -0.040 4.301 4.340 0.001 0.000 0.208 148 L C 2.324 179.152 176.870 -0.069 0.000 1.071 148 L CA 2.354 56.986 54.840 -0.347 0.000 0.745 148 L CB -0.606 41.208 42.059 -0.409 0.000 0.892 148 L HN 1.069 nan 8.230 nan 0.000 0.431 149 H N 0.131 119.184 119.070 -0.029 0.000 2.267 149 H HA -0.203 4.354 4.556 0.001 0.000 0.297 149 H C 2.024 177.406 175.328 0.091 0.000 1.080 149 H CA 2.188 58.254 56.048 0.029 0.000 1.278 149 H CB -0.365 29.419 29.762 0.037 0.000 1.365 149 H HN 0.419 nan 8.280 nan 0.000 0.489 150 A N -0.479 122.262 122.820 -0.131 0.000 1.917 150 A HA -0.231 4.090 4.320 0.001 0.000 0.219 150 A C 2.557 180.168 177.584 0.046 0.000 1.182 150 A CA 2.462 54.423 52.037 -0.126 0.000 0.633 150 A CB -1.213 17.826 19.000 0.066 0.000 0.819 150 A HN 0.636 nan 8.150 nan 0.000 0.448 151 T N 0.127 114.772 114.554 0.152 0.000 2.737 151 T HA 0.028 4.379 4.350 0.001 0.000 0.265 151 T C 2.267 177.167 174.700 0.334 0.000 1.038 151 T CA 1.623 63.884 62.100 0.269 0.000 1.144 151 T CB -0.505 68.521 68.868 0.264 0.000 0.866 151 T HN 0.616 nan 8.240 nan 0.000 0.434 152 A N 1.344 124.344 122.820 0.301 0.000 1.877 152 A HA -0.013 4.308 4.320 0.001 0.000 0.216 152 A C 2.261 180.004 177.584 0.265 0.000 1.186 152 A CA 1.326 53.593 52.037 0.382 0.000 0.620 152 A CB -0.887 18.224 19.000 0.185 0.000 0.822 152 A HN 0.387 nan 8.150 nan 0.000 0.443 153 L N 0.954 122.221 121.223 0.073 0.000 2.012 153 L HA -0.173 4.168 4.340 0.001 0.000 0.210 153 L C 2.796 179.692 176.870 0.044 0.000 1.073 153 L CA 2.956 57.801 54.840 0.007 0.000 0.748 153 L CB -0.729 41.204 42.059 -0.209 0.000 0.891 153 L HN 0.516 nan 8.230 nan 0.000 0.431 154 S N -1.237 114.499 115.700 0.060 0.000 2.368 154 S HA -0.264 4.207 4.470 0.001 0.000 0.225 154 S C 2.105 176.708 174.600 0.004 0.000 1.030 154 S CA 1.268 59.465 58.200 -0.005 0.000 0.999 154 S CB -1.494 61.819 63.200 0.188 0.000 0.844 154 S HN 0.488 nan 8.310 nan 0.000 0.459 155 F N 3.043 123.027 119.950 0.056 0.000 2.095 155 F HA -0.112 4.416 4.527 0.002 0.000 0.298 155 F C 2.759 178.593 175.800 0.056 0.000 1.104 155 F CA 1.904 59.940 58.000 0.061 0.000 1.232 155 F CB -0.248 38.906 39.000 0.258 0.000 0.987 155 F HN 0.129 nan 8.300 nan 0.000 0.475 156 R N 0.507 121.233 120.500 0.377 0.000 2.062 156 R HA -0.139 4.201 4.340 0.001 0.000 0.231 156 R C 2.266 178.617 176.300 0.085 0.000 1.136 156 R CA 1.984 58.217 56.100 0.222 0.000 0.948 156 R CB -0.575 29.845 30.300 0.201 0.000 0.845 156 R HN 0.430 nan 8.270 nan 0.000 0.430 157 L N 0.752 122.018 121.223 0.073 0.000 2.042 157 L HA -0.210 4.131 4.340 0.001 0.000 0.210 157 L C 2.520 179.467 176.870 0.128 0.000 1.076 157 L CA 1.207 56.110 54.840 0.106 0.000 0.749 157 L CB -0.520 41.546 42.059 0.012 0.000 0.893 157 L HN 0.287 nan 8.230 nan 0.000 0.432 158 L N -0.453 120.744 121.223 -0.044 0.000 1.970 158 L HA -0.249 4.092 4.340 0.001 0.000 0.212 158 L C 2.866 179.791 176.870 0.091 0.000 1.071 158 L CA 1.489 56.304 54.840 -0.041 0.000 0.751 158 L CB -0.535 41.316 42.059 -0.347 0.000 0.889 158 L HN 0.231 nan 8.230 nan 0.000 0.432 159 R N -0.014 120.416 120.500 -0.117 0.000 2.096 159 R HA -0.233 4.107 4.340 0.001 0.000 0.235 159 R C 2.368 178.668 176.300 0.000 0.000 1.127 159 R CA 1.630 57.663 56.100 -0.112 0.000 0.968 159 R CB -0.215 29.917 30.300 -0.279 0.000 0.861 159 R HN 0.386 nan 8.270 nan 0.000 0.440 160 Q N -0.401 119.420 119.800 0.035 0.000 2.135 160 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 160 Q C 0.461 176.392 176.000 -0.116 0.000 0.981 160 Q CA 1.452 57.254 55.803 -0.002 0.000 0.856 160 Q CB 0.048 28.799 28.738 0.022 0.000 0.902 160 Q HN 0.595 nan 8.270 nan 0.000 0.425 161 H N -1.555 117.572 119.070 0.095 0.000 2.605 161 H HA 0.192 4.749 4.556 0.001 0.000 0.308 161 H C 0.783 176.085 175.328 -0.043 0.000 1.080 161 H CA 0.449 56.546 56.048 0.081 0.000 1.119 161 H CB 0.611 30.480 29.762 0.178 0.000 1.479 161 H HN 0.578 nan 8.280 nan 0.000 0.537 162 G N 0.876 109.679 108.800 0.006 0.000 2.189 162 G HA2 -0.314 3.647 3.960 0.001 0.000 0.267 162 G HA3 -0.314 3.647 3.960 0.001 0.000 0.267 162 G C 0.141 174.954 174.900 -0.146 0.000 0.975 162 G CA 0.006 45.053 45.100 -0.088 0.000 0.644 162 G HN 0.268 nan 8.290 nan 0.000 0.537 163 F N 0.922 120.856 119.950 -0.026 0.000 2.490 163 F HA 0.452 4.980 4.527 0.002 0.000 0.336 163 F C 1.171 176.909 175.800 -0.103 0.000 1.178 163 F CA 0.129 58.090 58.000 -0.065 0.000 1.301 163 F CB 0.588 39.529 39.000 -0.097 0.000 1.175 163 F HN 0.066 nan 8.300 nan 0.000 0.593 164 E N 1.645 121.926 120.200 0.136 0.000 2.081 164 E HA 0.469 4.820 4.350 0.001 0.000 0.281 164 E C -1.390 175.209 176.600 -0.002 0.000 0.986 164 E CA -0.513 55.909 56.400 0.037 0.000 0.796 164 E CB 0.918 30.646 29.700 0.046 0.000 1.085 164 E HN 0.436 nan 8.360 nan 0.000 0.398 165 V N 0.710 120.575 119.914 -0.081 0.000 2.876 165 V HA 0.644 4.765 4.120 0.001 0.000 0.312 165 V C -0.297 175.832 176.094 0.058 0.000 1.085 165 V CA -0.946 61.312 62.300 -0.071 0.000 0.945 165 V CB 1.817 33.404 31.823 -0.393 0.000 1.017 165 V HN 0.468 nan 8.190 nan 0.000 0.428 166 S N 1.130 116.961 115.700 0.217 0.000 2.593 166 S HA 0.346 4.817 4.470 0.001 0.000 0.297 166 S C 0.910 175.761 174.600 0.419 0.000 1.112 166 S CA 0.067 58.422 58.200 0.259 0.000 1.043 166 S CB 1.928 65.221 63.200 0.154 0.000 1.054 166 S HN 1.096 nan 8.310 nan 0.000 0.516 167 Q N 1.953 121.964 119.800 0.351 0.000 2.224 167 Q HA -0.114 4.226 4.340 0.001 0.000 0.203 167 Q C 1.124 177.270 176.000 0.243 0.000 0.970 167 Q CA 1.715 57.724 55.803 0.344 0.000 0.865 167 Q CB -0.484 28.405 28.738 0.252 0.000 0.922 167 Q HN 0.901 nan 8.270 nan 0.000 0.445 168 E N 0.356 120.644 120.200 0.147 0.000 2.515 168 E HA -0.044 4.307 4.350 0.001 0.000 0.201 168 E C 1.424 178.026 176.600 0.004 0.000 1.071 168 E CA 0.563 57.006 56.400 0.071 0.000 0.880 168 E CB -0.035 29.685 29.700 0.033 0.000 0.828 168 E HN 0.490 nan 8.360 nan 0.000 0.540 169 A N 0.632 123.420 122.820 -0.053 0.000 2.168 169 A HA 0.038 4.359 4.320 0.001 0.000 0.215 169 A C 1.097 178.520 177.584 -0.268 0.000 1.152 169 A CA 0.354 52.256 52.037 -0.225 0.000 0.716 169 A CB -0.409 18.460 19.000 -0.219 0.000 0.794 169 A HN 0.259 nan 8.150 nan 0.000 0.465 170 F N -1.045 119.020 119.950 0.191 0.000 2.678 170 F HA 0.154 4.682 4.527 0.001 0.000 0.305 170 F C 2.153 178.108 175.800 0.258 0.000 1.090 170 F CA 0.283 58.536 58.000 0.421 0.000 1.272 170 F CB -0.111 39.094 39.000 0.342 0.000 1.060 170 F HN 0.047 nan 8.300 nan 0.000 0.576 171 S N 0.299 116.081 115.700 0.137 0.000 2.400 171 S HA -0.154 4.316 4.470 0.001 0.000 0.232 171 S C 2.407 176.920 174.600 -0.144 0.000 1.025 171 S CA 1.321 59.506 58.200 -0.025 0.000 0.993 171 S CB -0.760 62.405 63.200 -0.058 0.000 0.808 171 S HN 0.516 nan 8.310 nan 0.000 0.478 172 G N -0.374 108.238 108.800 -0.313 0.000 2.708 172 G HA2 -0.024 3.937 3.960 0.001 0.000 0.210 172 G HA3 -0.024 3.937 3.960 0.001 0.000 0.210 172 G C 0.426 174.977 174.900 -0.580 0.000 1.141 172 G CA 0.129 44.931 45.100 -0.498 0.000 0.788 172 G HN 0.516 nan 8.290 nan 0.000 0.531 173 F N 0.245 120.219 119.950 0.040 0.000 2.647 173 F HA 0.432 4.960 4.527 0.001 0.000 0.300 173 F C 0.927 176.700 175.800 -0.046 0.000 1.106 173 F CA -0.444 57.609 58.000 0.088 0.000 1.313 173 F CB 0.500 39.672 39.000 0.287 0.000 1.007 173 F HN -0.144 nan 8.300 nan 0.000 0.536 174 K N 0.645 120.989 120.400 -0.092 0.000 2.208 174 K HA 0.307 4.628 4.320 0.001 0.000 0.247 174 K C -0.344 176.168 176.600 -0.145 0.000 0.953 174 K CA -0.899 55.240 56.287 -0.246 0.000 0.837 174 K CB 1.518 33.804 32.500 -0.357 0.000 1.131 174 K HN -0.019 nan 8.250 nan 0.000 0.431 175 D N 0.456 120.774 120.400 -0.138 0.000 2.399 175 D HA -0.029 4.611 4.640 0.001 0.000 0.288 175 D C 0.774 177.022 176.300 -0.088 0.000 1.197 175 D CA 0.161 54.109 54.000 -0.086 0.000 1.081 175 D CB 0.167 40.931 40.800 -0.060 0.000 1.139 175 D HN 0.284 nan 8.370 nan 0.000 0.554 176 Q N -0.831 118.931 119.800 -0.064 0.000 2.083 176 Q HA 0.090 4.430 4.340 0.001 0.000 0.198 176 Q C 1.446 177.409 176.000 -0.062 0.000 0.969 176 Q CA 1.384 57.152 55.803 -0.058 0.000 0.838 176 Q CB -0.492 28.221 28.738 -0.041 0.000 0.900 176 Q HN 0.502 nan 8.270 nan 0.000 0.436 177 N N -0.135 118.529 118.700 -0.059 0.000 2.515 177 N HA 0.125 4.865 4.740 0.001 0.000 0.191 177 N C -0.055 175.406 175.510 -0.082 0.000 1.182 177 N CA 0.246 53.262 53.050 -0.057 0.000 0.879 177 N CB 0.295 38.758 38.487 -0.041 0.000 0.984 177 N HN 0.348 nan 8.380 nan 0.000 0.453 178 G N 1.305 110.036 108.800 -0.115 0.000 2.248 178 G HA2 -0.219 3.742 3.960 0.001 0.000 0.263 178 G HA3 -0.219 3.742 3.960 0.001 0.000 0.263 178 G C -0.831 173.934 174.900 -0.224 0.000 1.082 178 G CA -0.476 44.523 45.100 -0.169 0.000 0.863 178 G HN 0.306 nan 8.290 nan 0.000 0.495 179 N N -0.597 117.969 118.700 -0.222 0.000 2.258 179 N HA 0.554 5.295 4.740 0.001 0.000 0.299 179 N C -0.098 175.218 175.510 -0.324 0.000 1.047 179 N CA -0.649 52.261 53.050 -0.232 0.000 0.814 179 N CB 0.938 39.371 38.487 -0.091 0.000 1.413 179 N HN 0.019 nan 8.380 nan 0.000 0.478 180 F N 1.336 121.033 119.950 -0.422 0.000 2.608 180 F HA 0.050 4.578 4.527 0.001 0.000 0.380 180 F C 1.306 176.791 175.800 -0.525 0.000 1.083 180 F CA -0.049 57.542 58.000 -0.682 0.000 1.266 180 F CB 0.179 38.215 39.000 -1.605 0.000 1.076 180 F HN 0.158 nan 8.300 nan 0.000 0.574 181 L N 4.358 125.547 121.223 -0.058 0.000 2.514 181 L HA -0.048 4.293 4.340 0.001 0.000 0.280 181 L C 1.540 178.499 176.870 0.148 0.000 1.223 181 L CA -0.108 54.758 54.840 0.042 0.000 0.864 181 L CB 0.338 42.450 42.059 0.088 0.000 1.118 181 L HN 0.616 nan 8.230 nan 0.000 0.494 182 E N 2.046 122.346 120.200 0.167 0.000 2.107 182 E HA -0.143 4.208 4.350 0.001 0.000 0.191 182 E C 1.642 178.326 176.600 0.141 0.000 0.982 182 E CA 1.382 57.909 56.400 0.212 0.000 0.809 182 E CB -0.195 29.587 29.700 0.136 0.000 0.756 182 E HN 0.786 nan 8.360 nan 0.000 0.459 183 N N 0.896 119.658 118.700 0.103 0.000 2.503 183 N HA -0.161 4.579 4.740 0.001 0.000 0.189 183 N C 1.770 177.323 175.510 0.071 0.000 1.048 183 N CA 0.763 53.856 53.050 0.073 0.000 0.905 183 N CB -0.485 38.043 38.487 0.068 0.000 0.951 183 N HN 0.142 nan 8.380 nan 0.000 0.446 184 L N 0.155 121.447 121.223 0.115 0.000 2.217 184 L HA 0.012 4.353 4.340 0.001 0.000 0.211 184 L C 2.056 178.911 176.870 -0.025 0.000 1.107 184 L CA 0.859 55.755 54.840 0.094 0.000 0.783 184 L CB -0.267 41.900 42.059 0.179 0.000 0.919 184 L HN 0.151 nan 8.230 nan 0.000 0.442 185 K N 0.072 120.405 120.400 -0.112 0.000 2.360 185 K HA -0.142 4.179 4.320 0.001 0.000 0.201 185 K C 1.265 177.687 176.600 -0.297 0.000 1.046 185 K CA 0.633 56.622 56.287 -0.497 0.000 0.940 185 K CB -0.029 32.124 32.500 -0.578 0.000 0.748 185 K HN 0.218 nan 8.250 nan 0.000 0.465 186 E N 1.306 121.446 120.200 -0.100 0.000 2.438 186 E HA -0.068 4.283 4.350 0.001 0.000 0.192 186 E C -0.609 175.984 176.600 -0.012 0.000 1.110 186 E CA 0.550 56.934 56.400 -0.026 0.000 0.893 186 E CB -0.014 29.688 29.700 0.002 0.000 0.990 186 E HN 0.154 nan 8.360 nan 0.000 0.490 187 D N -0.922 119.458 120.400 -0.032 0.000 2.472 187 D HA 0.093 4.734 4.640 0.001 0.000 0.248 187 D C 0.647 176.939 176.300 -0.014 0.000 1.271 187 D CA -0.124 53.867 54.000 -0.014 0.000 0.888 187 D CB 0.440 41.236 40.800 -0.008 0.000 1.337 187 D HN -0.281 nan 8.370 nan 0.000 0.526 188 T N 1.192 115.764 114.554 0.029 0.000 2.685 188 T HA -0.234 4.116 4.350 0.001 0.000 0.268 188 T C 1.725 176.423 174.700 -0.002 0.000 1.034 188 T CA 1.570 63.701 62.100 0.051 0.000 1.149 188 T CB 0.052 68.946 68.868 0.043 0.000 0.860 188 T HN 0.374 nan 8.240 nan 0.000 0.449 189 K N 0.945 121.322 120.400 -0.038 0.000 2.074 189 K HA -0.129 4.192 4.320 0.001 0.000 0.209 189 K C 2.429 178.981 176.600 -0.080 0.000 1.048 189 K CA 1.452 57.682 56.287 -0.095 0.000 0.926 189 K CB -0.331 32.057 32.500 -0.186 0.000 0.713 189 K HN 0.321 nan 8.250 nan 0.000 0.444 190 A N 1.077 123.871 122.820 -0.045 0.000 1.897 190 A HA -0.082 4.238 4.320 0.001 0.000 0.215 190 A C 2.013 179.605 177.584 0.013 0.000 1.181 190 A CA 1.128 53.189 52.037 0.039 0.000 0.620 190 A CB -0.388 18.627 19.000 0.025 0.000 0.821 190 A HN 0.295 nan 8.150 nan 0.000 0.443 191 I N -0.095 120.462 120.570 -0.021 0.000 2.361 191 I HA -0.186 3.985 4.170 0.001 0.000 0.251 191 I C 2.397 178.516 176.117 0.004 0.000 1.133 191 I CA 1.053 62.329 61.300 -0.041 0.000 1.413 191 I CB -1.127 36.842 38.000 -0.052 0.000 1.073 191 I HN 0.305 nan 8.210 nan 0.000 0.424 192 L N -0.056 121.182 121.223 0.025 0.000 2.093 192 L HA -0.184 4.156 4.340 0.001 0.000 0.208 192 L C 2.637 179.592 176.870 0.142 0.000 1.085 192 L CA 1.059 55.937 54.840 0.065 0.000 0.755 192 L CB -0.201 41.883 42.059 0.041 0.000 0.904 192 L HN 0.192 nan 8.230 nan 0.000 0.435 193 S N -0.170 115.611 115.700 0.135 0.000 2.368 193 S HA -0.163 4.307 4.470 0.001 0.000 0.224 193 S C 1.852 176.497 174.600 0.074 0.000 1.029 193 S CA 0.892 59.190 58.200 0.163 0.000 0.988 193 S CB -0.203 63.172 63.200 0.291 0.000 0.838 193 S HN 0.330 nan 8.310 nan 0.000 0.462 194 L N 0.302 121.517 121.223 -0.013 0.000 1.989 194 L HA -0.176 4.165 4.340 0.001 0.000 0.211 194 L C 2.275 179.057 176.870 -0.147 0.000 1.071 194 L CA 2.066 56.786 54.840 -0.199 0.000 0.749 194 L CB -0.664 41.207 42.059 -0.312 0.000 0.890 194 L HN 0.405 nan 8.230 nan 0.000 0.431 195 Y N 1.267 121.477 120.300 -0.151 0.000 2.081 195 Y HA -0.331 4.220 4.550 0.002 0.000 0.280 195 Y C 2.603 178.535 175.900 0.054 0.000 1.163 195 Y CA 2.194 60.248 58.100 -0.077 0.000 1.135 195 Y CB -0.296 38.149 38.460 -0.025 0.000 0.970 195 Y HN 0.248 nan 8.280 nan 0.000 0.498 196 E N 0.422 120.677 120.200 0.092 0.000 2.097 196 E HA -0.253 4.098 4.350 0.001 0.000 0.196 196 E C 2.421 179.032 176.600 0.018 0.000 1.000 196 E CA 1.337 57.753 56.400 0.027 0.000 0.804 196 E CB -0.865 28.885 29.700 0.084 0.000 0.740 196 E HN 0.615 nan 8.360 nan 0.000 0.454 197 A N 1.453 124.273 122.820 -0.000 0.000 1.969 197 A HA -0.166 4.155 4.320 0.001 0.000 0.218 197 A C 2.361 179.884 177.584 -0.102 0.000 1.169 197 A CA 1.988 54.044 52.037 0.033 0.000 0.635 197 A CB -0.639 18.407 19.000 0.076 0.000 0.810 197 A HN 0.335 nan 8.150 nan 0.000 0.445 198 S N -0.934 114.588 115.700 -0.296 0.000 2.440 198 S HA -0.162 4.309 4.470 0.001 0.000 0.240 198 S C 1.431 175.721 174.600 -0.516 0.000 1.014 198 S CA 1.475 59.401 58.200 -0.457 0.000 0.980 198 S CB -0.794 62.042 63.200 -0.607 0.000 0.775 198 S HN 0.418 nan 8.310 nan 0.000 0.499 199 F N 0.409 120.170 119.950 -0.315 0.000 2.710 199 F HA 0.392 4.919 4.527 0.001 0.000 0.298 199 F C 1.230 176.830 175.800 -0.334 0.000 1.137 199 F CA 0.033 57.834 58.000 -0.332 0.000 1.444 199 F CB -0.086 38.659 39.000 -0.426 0.000 1.111 199 F HN 0.209 nan 8.300 nan 0.000 0.580 200 L N 0.018 121.124 121.223 -0.195 0.000 2.627 200 L HA 0.253 4.594 4.340 0.001 0.000 0.232 200 L C 1.208 178.103 176.870 0.042 0.000 1.150 200 L CA -0.215 54.486 54.840 -0.232 0.000 0.917 200 L CB -1.443 40.517 42.059 -0.165 0.000 1.104 200 L HN -0.040 nan 8.230 nan 0.000 0.445 201 A N 0.031 122.875 122.820 0.041 0.000 2.483 201 A HA 0.417 4.738 4.320 0.001 0.000 0.238 201 A C 0.047 177.695 177.584 0.108 0.000 1.070 201 A CA 0.052 52.142 52.037 0.087 0.000 0.770 201 A CB 0.101 19.096 19.000 -0.009 0.000 1.008 201 A HN 0.222 nan 8.150 nan 0.000 0.497 202 L N 0.905 122.200 121.223 0.120 0.000 2.322 202 L HA 0.355 4.696 4.340 0.001 0.000 0.269 202 L C 0.527 177.449 176.870 0.088 0.000 1.012 202 L CA -0.752 54.152 54.840 0.107 0.000 0.815 202 L CB 1.196 43.318 42.059 0.105 0.000 1.295 202 L HN 0.748 nan 8.230 nan 0.000 0.438 203 E N 0.962 121.210 120.200 0.079 0.000 2.608 203 E HA 0.044 4.394 4.350 0.001 0.000 0.259 203 E C 0.821 177.457 176.600 0.060 0.000 0.951 203 E CA 1.143 57.582 56.400 0.065 0.000 0.945 203 E CB 0.335 30.071 29.700 0.060 0.000 0.916 203 E HN 0.876 nan 8.360 nan 0.000 0.477 204 G N 3.525 112.355 108.800 0.051 0.000 2.268 204 G HA2 -0.316 3.645 3.960 0.001 0.000 0.240 204 G HA3 -0.316 3.645 3.960 0.001 0.000 0.240 204 G C 0.069 175.000 174.900 0.052 0.000 1.010 204 G CA -0.027 45.101 45.100 0.047 0.000 0.618 204 G HN 0.606 nan 8.290 nan 0.000 0.516 205 E N 2.270 122.509 120.200 0.065 0.000 1.775 205 E HA 0.124 4.474 4.350 0.001 0.000 0.266 205 E C 1.612 178.240 176.600 0.047 0.000 1.191 205 E CA 0.092 56.539 56.400 0.078 0.000 1.048 205 E CB 0.032 29.803 29.700 0.117 0.000 1.081 205 E HN 0.664 nan 8.360 nan 0.000 0.434 206 N N 3.358 122.081 118.700 0.038 0.000 2.166 206 N HA -0.199 4.542 4.740 0.001 0.000 0.186 206 N C 1.514 177.038 175.510 0.023 0.000 1.019 206 N CA 1.078 54.141 53.050 0.021 0.000 0.856 206 N CB -0.152 38.343 38.487 0.014 0.000 0.993 206 N HN 0.385 nan 8.380 nan 0.000 0.426 207 I N 0.904 121.498 120.570 0.039 0.000 2.264 207 I HA -0.221 3.950 4.170 0.001 0.000 0.248 207 I C 2.369 178.533 176.117 0.078 0.000 1.111 207 I CA 0.936 62.272 61.300 0.060 0.000 1.382 207 I CB -0.181 37.878 38.000 0.099 0.000 1.060 207 I HN 0.088 nan 8.210 nan 0.000 0.418 208 L N -0.073 121.152 121.223 0.003 0.000 2.109 208 L HA -0.184 4.157 4.340 0.001 0.000 0.207 208 L C 2.147 178.934 176.870 -0.138 0.000 1.086 208 L CA 1.122 55.885 54.840 -0.129 0.000 0.760 208 L CB -0.580 41.406 42.059 -0.122 0.000 0.910 208 L HN 0.240 nan 8.230 nan 0.000 0.437 209 D N 0.210 120.564 120.400 -0.077 0.000 2.117 209 D HA -0.180 4.461 4.640 0.001 0.000 0.197 209 D C 2.061 178.340 176.300 -0.035 0.000 0.987 209 D CA 1.190 55.139 54.000 -0.085 0.000 0.829 209 D CB 0.059 40.834 40.800 -0.042 0.000 0.961 209 D HN 0.403 nan 8.370 nan 0.000 0.460 210 E N 0.703 120.927 120.200 0.040 0.000 2.072 210 E HA -0.091 4.260 4.350 0.001 0.000 0.191 210 E C 2.137 178.862 176.600 0.207 0.000 0.985 210 E CA 0.904 57.383 56.400 0.131 0.000 0.801 210 E CB -0.034 29.752 29.700 0.144 0.000 0.750 210 E HN 0.168 nan 8.360 nan 0.000 0.452 211 A N 1.789 124.708 122.820 0.164 0.000 1.883 211 A HA -0.242 4.079 4.320 0.001 0.000 0.217 211 A C 2.141 179.640 177.584 -0.141 0.000 1.186 211 A CA 1.702 53.630 52.037 -0.182 0.000 0.624 211 A CB -0.542 18.166 19.000 -0.486 0.000 0.822 211 A HN 0.102 nan 8.150 nan 0.000 0.444 212 R N -0.380 120.020 120.500 -0.165 0.000 2.105 212 R HA -0.119 4.221 4.340 0.001 0.000 0.239 212 R C 1.899 178.196 176.300 -0.005 0.000 1.135 212 R CA 1.843 57.857 56.100 -0.143 0.000 0.967 212 R CB -0.394 29.707 30.300 -0.331 0.000 0.861 212 R HN 0.354 nan 8.270 nan 0.000 0.442 213 V N 0.576 120.503 119.914 0.021 0.000 2.244 213 V HA -0.230 3.891 4.120 0.001 0.000 0.244 213 V C 2.018 178.165 176.094 0.089 0.000 1.042 213 V CA 1.974 64.310 62.300 0.060 0.000 1.006 213 V CB -0.800 31.070 31.823 0.078 0.000 0.641 213 V HN 0.351 nan 8.190 nan 0.000 0.446 214 F N 1.404 121.347 119.950 -0.013 0.000 2.147 214 F HA -0.292 4.236 4.527 0.001 0.000 0.301 214 F C 2.199 177.965 175.800 -0.058 0.000 1.084 214 F CA 1.871 59.859 58.000 -0.020 0.000 1.268 214 F CB -0.302 38.687 39.000 -0.019 0.000 1.009 214 F HN 0.088 nan 8.300 nan 0.000 0.486 215 A N 0.723 123.456 122.820 -0.145 0.000 1.854 215 A HA -0.083 4.238 4.320 0.001 0.000 0.214 215 A C 2.223 179.707 177.584 -0.167 0.000 1.192 215 A CA 1.632 53.549 52.037 -0.200 0.000 0.611 215 A CB -1.150 17.837 19.000 -0.021 0.000 0.832 215 A HN 0.465 nan 8.150 nan 0.000 0.442 216 I N 1.029 121.556 120.570 -0.071 0.000 2.194 216 I HA -0.310 3.861 4.170 0.001 0.000 0.246 216 I C 2.929 178.972 176.117 -0.123 0.000 1.093 216 I CA 1.758 62.996 61.300 -0.104 0.000 1.355 216 I CB -0.302 37.707 38.000 0.015 0.000 1.046 216 I HN 0.549 nan 8.210 nan 0.000 0.413 217 S N -0.207 115.434 115.700 -0.098 0.000 2.383 217 S HA -0.327 4.144 4.470 0.001 0.000 0.229 217 S C 1.963 176.494 174.600 -0.115 0.000 1.030 217 S CA 1.818 59.965 58.200 -0.088 0.000 1.002 217 S CB -0.621 62.542 63.200 -0.060 0.000 0.829 217 S HN 0.612 nan 8.310 nan 0.000 0.467 218 H N 1.732 120.635 119.070 -0.278 0.000 2.294 218 H HA 0.254 4.811 4.556 0.001 0.000 0.306 218 H C 1.933 177.132 175.328 -0.214 0.000 1.065 218 H CA 1.681 57.565 56.048 -0.273 0.000 1.343 218 H CB -0.644 28.879 29.762 -0.399 0.000 1.396 218 H HN 0.333 nan 8.280 nan 0.000 0.506 219 L N 0.458 121.438 121.223 -0.404 0.000 2.081 219 L HA -0.219 4.122 4.340 0.001 0.000 0.212 219 L C 2.610 179.280 176.870 -0.333 0.000 1.080 219 L CA 1.641 56.231 54.840 -0.415 0.000 0.754 219 L CB -0.498 41.343 42.059 -0.364 0.000 0.893 219 L HN 0.302 nan 8.230 nan 0.000 0.433 220 K N 0.319 120.564 120.400 -0.259 0.000 2.152 220 K HA -0.206 4.115 4.320 0.001 0.000 0.206 220 K C 1.780 178.279 176.600 -0.169 0.000 1.048 220 K CA 1.635 57.813 56.287 -0.183 0.000 0.933 220 K CB 0.018 32.439 32.500 -0.131 0.000 0.721 220 K HN 0.436 nan 8.250 nan 0.000 0.447 221 E N 0.036 120.114 120.200 -0.203 0.000 2.478 221 E HA -0.023 4.327 4.350 0.001 0.000 0.194 221 E C -0.413 176.082 176.600 -0.175 0.000 1.045 221 E CA -0.197 56.105 56.400 -0.162 0.000 0.868 221 E CB 0.250 29.866 29.700 -0.141 0.000 0.885 221 E HN 0.015 nan 8.360 nan 0.000 0.505 222 L N 1.559 122.638 121.223 -0.241 0.000 2.453 222 L HA 0.070 4.411 4.340 0.001 0.000 0.272 222 L C 0.519 177.317 176.870 -0.121 0.000 1.182 222 L CA 0.285 55.005 54.840 -0.200 0.000 0.858 222 L CB 0.846 42.756 42.059 -0.249 0.000 1.120 222 L HN -0.039 nan 8.230 nan 0.000 0.474 223 S N 1.103 116.753 115.700 -0.083 0.000 2.634 223 S HA 0.401 4.872 4.470 0.001 0.000 0.296 223 S C 0.713 175.293 174.600 -0.034 0.000 1.104 223 S CA -0.652 57.517 58.200 -0.051 0.000 0.920 223 S CB 1.278 64.456 63.200 -0.037 0.000 1.111 223 S HN 0.657 nan 8.310 nan 0.000 0.493 224 E N 0.636 120.826 120.200 -0.017 0.000 2.160 224 E HA -0.200 4.151 4.350 0.001 0.000 0.195 224 E C 1.403 177.999 176.600 -0.008 0.000 0.991 224 E CA 1.554 57.950 56.400 -0.006 0.000 0.810 224 E CB -0.124 29.581 29.700 0.008 0.000 0.742 224 E HN 0.800 nan 8.360 nan 0.000 0.466 225 E N 0.012 120.206 120.200 -0.010 0.000 2.150 225 E HA -0.174 4.177 4.350 0.001 0.000 0.193 225 E C 1.934 178.528 176.600 -0.010 0.000 0.985 225 E CA 1.024 57.419 56.400 -0.008 0.000 0.814 225 E CB 0.106 29.801 29.700 -0.008 0.000 0.752 225 E HN 0.273 nan 8.360 nan 0.000 0.466 226 K N 0.447 120.837 120.400 -0.017 0.000 2.098 226 K HA 0.025 4.346 4.320 0.001 0.000 0.203 226 K C 2.287 178.880 176.600 -0.011 0.000 1.051 226 K CA 1.086 57.364 56.287 -0.016 0.000 0.957 226 K CB 0.064 32.548 32.500 -0.027 0.000 0.738 226 K HN 0.220 nan 8.250 nan 0.000 0.447 227 I N -2.976 117.585 120.570 -0.016 0.000 3.939 227 I HA 0.338 4.509 4.170 0.001 0.000 0.313 227 I C 0.496 176.609 176.117 -0.006 0.000 1.274 227 I CA -0.132 61.162 61.300 -0.010 0.000 1.301 227 I CB 0.676 38.666 38.000 -0.017 0.000 1.105 227 I HN 0.107 nan 8.210 nan 0.000 0.427 228 G N 2.281 111.078 108.800 -0.006 0.000 2.617 228 G HA2 -0.168 3.793 3.960 0.001 0.000 0.686 228 G HA3 -0.168 3.793 3.960 0.001 0.000 0.686 228 G C 0.056 174.957 174.900 0.002 0.000 1.214 228 G CA -0.012 45.086 45.100 -0.003 0.000 0.796 228 G HN 0.242 nan 8.290 nan 0.000 0.654 229 K N 0.019 120.420 120.400 0.003 0.000 2.034 229 K HA -0.191 4.130 4.320 0.001 0.000 0.214 229 K C 2.160 178.770 176.600 0.016 0.000 1.051 229 K CA 2.341 58.634 56.287 0.010 0.000 0.931 229 K CB -0.174 32.328 32.500 0.003 0.000 0.715 229 K HN 0.660 nan 8.250 nan 0.000 0.446 230 E N 0.306 120.510 120.200 0.007 0.000 2.005 230 E HA -0.235 4.116 4.350 0.001 0.000 0.198 230 E C 2.016 178.643 176.600 0.045 0.000 1.010 230 E CA 1.418 57.826 56.400 0.014 0.000 0.825 230 E CB -0.205 29.494 29.700 -0.002 0.000 0.769 230 E HN 0.230 nan 8.360 nan 0.000 0.456 231 L N 0.552 121.793 121.223 0.031 0.000 2.349 231 L HA -0.127 4.214 4.340 0.001 0.000 0.220 231 L C 1.974 178.863 176.870 0.032 0.000 1.130 231 L CA 1.817 56.677 54.840 0.034 0.000 0.791 231 L CB -0.467 41.598 42.059 0.011 0.000 0.918 231 L HN 0.291 nan 8.230 nan 0.000 0.444 232 A N -1.142 121.696 122.820 0.030 0.000 1.903 232 A HA -0.108 4.213 4.320 0.001 0.000 0.213 232 A C 2.123 179.741 177.584 0.056 0.000 1.185 232 A CA 1.070 53.118 52.037 0.019 0.000 0.628 232 A CB -0.360 18.646 19.000 0.010 0.000 0.830 232 A HN 0.515 nan 8.150 nan 0.000 0.446 233 E N -0.386 119.879 120.200 0.109 0.000 2.110 233 E HA -0.259 4.092 4.350 0.001 0.000 0.193 233 E C 2.185 178.970 176.600 0.309 0.000 0.988 233 E CA 1.331 57.859 56.400 0.213 0.000 0.804 233 E CB -0.178 29.660 29.700 0.229 0.000 0.745 233 E HN 0.763 nan 8.360 nan 0.000 0.458 234 Q N 0.672 120.640 119.800 0.280 0.000 2.061 234 Q HA -0.176 4.165 4.340 0.001 0.000 0.204 234 Q C 2.271 178.317 176.000 0.076 0.000 0.984 234 Q CA 1.476 57.437 55.803 0.264 0.000 0.846 234 Q CB 0.107 28.970 28.738 0.207 0.000 0.902 234 Q HN 0.143 nan 8.270 nan 0.000 0.421 235 V N 1.717 121.641 119.914 0.016 0.000 2.343 235 V HA -0.271 3.850 4.120 0.001 0.000 0.247 235 V C 1.885 177.910 176.094 -0.115 0.000 1.051 235 V CA 1.875 64.124 62.300 -0.086 0.000 1.036 235 V CB -0.660 31.097 31.823 -0.110 0.000 0.654 235 V HN 0.443 nan 8.190 nan 0.000 0.451 236 N N -0.240 118.426 118.700 -0.056 0.000 2.120 236 N HA -0.196 4.545 4.740 0.001 0.000 0.188 236 N C 1.833 177.280 175.510 -0.106 0.000 1.024 236 N CA 1.800 54.806 53.050 -0.073 0.000 0.852 236 N CB -0.574 37.895 38.487 -0.029 0.000 1.003 236 N HN 0.668 nan 8.380 nan 0.000 0.424 237 H N 0.985 119.909 119.070 -0.244 0.000 2.321 237 H HA 0.070 4.626 4.556 0.001 0.000 0.300 237 H C 1.866 176.957 175.328 -0.395 0.000 1.087 237 H CA 2.114 57.866 56.048 -0.493 0.000 1.319 237 H CB -0.346 28.788 29.762 -1.048 0.000 1.379 237 H HN 0.210 nan 8.280 nan 0.000 0.501 238 A N 0.517 123.124 122.820 -0.355 0.000 1.902 238 A HA -0.075 4.246 4.320 0.001 0.000 0.217 238 A C 2.561 180.036 177.584 -0.182 0.000 1.181 238 A CA 1.477 53.355 52.037 -0.265 0.000 0.623 238 A CB -0.847 18.088 19.000 -0.108 0.000 0.818 238 A HN 0.480 nan 8.150 nan 0.000 0.443 239 L N -0.674 120.411 121.223 -0.230 0.000 2.201 239 L HA -0.163 4.177 4.340 0.001 0.000 0.212 239 L C 2.587 179.380 176.870 -0.128 0.000 1.105 239 L CA 1.535 56.273 54.840 -0.170 0.000 0.775 239 L CB -0.420 41.525 42.059 -0.190 0.000 0.913 239 L HN 0.637 nan 8.230 nan 0.000 0.440 240 E N 0.264 120.352 120.200 -0.187 0.000 2.072 240 E HA -0.091 4.260 4.350 0.001 0.000 0.191 240 E C 0.530 177.011 176.600 -0.199 0.000 0.985 240 E CA 0.756 57.056 56.400 -0.166 0.000 0.801 240 E CB 0.498 30.082 29.700 -0.193 0.000 0.750 240 E HN 0.233 nan 8.360 nan 0.000 0.452 241 L N 0.734 121.764 121.223 -0.321 0.000 2.787 241 L HA 0.284 4.625 4.340 0.001 0.000 0.260 241 L C -2.721 173.840 176.870 -0.515 0.000 0.921 241 L CA -1.765 52.838 54.840 -0.395 0.000 0.984 241 L CB 2.453 44.303 42.059 -0.349 0.000 1.519 241 L HN -0.017 nan 8.230 nan 0.000 0.452 242 P HA 0.086 nan 4.420 nan 0.000 0.274 242 P C 0.694 177.662 177.300 -0.555 0.000 1.237 242 P CA -0.546 62.136 63.100 -0.697 0.000 0.793 242 P CB 1.321 32.123 31.700 -1.498 0.000 0.977 243 L N 1.711 122.718 121.223 -0.361 0.000 2.021 243 L HA -0.227 4.114 4.340 0.001 0.000 0.215 243 L C 2.536 179.279 176.870 -0.211 0.000 1.074 243 L CA 2.180 56.885 54.840 -0.226 0.000 0.760 243 L CB -2.307 39.695 42.059 -0.096 0.000 0.889 243 L HN 0.583 nan 8.230 nan 0.000 0.433 244 H N -0.756 118.104 119.070 -0.350 0.000 2.489 244 H HA -0.064 4.493 4.556 0.001 0.000 0.295 244 H C 2.034 177.095 175.328 -0.444 0.000 1.082 244 H CA 1.537 57.391 56.048 -0.323 0.000 1.295 244 H CB 0.143 29.729 29.762 -0.294 0.000 1.380 244 H HN 0.260 nan 8.280 nan 0.000 0.548 245 R N -0.642 119.504 120.500 -0.589 0.000 2.335 245 R HA 0.178 4.518 4.340 0.001 0.000 0.210 245 R C 0.523 176.641 176.300 -0.304 0.000 0.892 245 R CA -0.275 55.468 56.100 -0.595 0.000 1.048 245 R CB 0.771 30.502 30.300 -0.949 0.000 1.067 245 R HN 0.041 nan 8.270 nan 0.000 0.524 246 R N 2.126 122.445 120.500 -0.302 0.000 2.490 246 R HA 0.071 4.411 4.340 0.001 0.000 0.278 246 R C -0.265 175.928 176.300 -0.177 0.000 1.069 246 R CA -0.052 55.916 56.100 -0.219 0.000 1.080 246 R CB 0.858 31.012 30.300 -0.243 0.000 1.030 246 R HN -0.045 nan 8.270 nan 0.000 0.491 247 T N 0.729 115.183 114.554 -0.166 0.000 2.919 247 T HA -0.041 4.310 4.350 0.001 0.000 0.302 247 T C 1.165 175.741 174.700 -0.207 0.000 1.031 247 T CA -0.486 61.496 62.100 -0.196 0.000 1.127 247 T CB 1.441 70.162 68.868 -0.244 0.000 0.952 247 T HN 0.738 nan 8.240 nan 0.000 0.540 248 Q N 2.081 121.703 119.800 -0.297 0.000 2.112 248 Q HA -0.244 4.097 4.340 0.001 0.000 0.206 248 Q C 2.206 178.014 176.000 -0.320 0.000 0.987 248 Q CA 1.835 57.386 55.803 -0.420 0.000 0.858 248 Q CB -0.296 27.893 28.738 -0.916 0.000 0.905 248 Q HN 0.719 nan 8.270 nan 0.000 0.420 249 R N -0.139 120.207 120.500 -0.257 0.000 2.075 249 R HA 0.106 4.447 4.340 0.001 0.000 0.232 249 R C 2.216 178.553 176.300 0.062 0.000 1.126 249 R CA 1.440 57.535 56.100 -0.009 0.000 0.963 249 R CB -0.550 29.788 30.300 0.064 0.000 0.858 249 R HN 0.450 nan 8.270 nan 0.000 0.435 250 L N 0.253 121.477 121.223 0.001 0.000 2.131 250 L HA -0.150 4.191 4.340 0.001 0.000 0.210 250 L C 2.213 179.128 176.870 0.076 0.000 1.092 250 L CA 1.184 56.056 54.840 0.053 0.000 0.759 250 L CB -0.295 41.772 42.059 0.013 0.000 0.903 250 L HN 0.280 nan 8.230 nan 0.000 0.435 251 E N 0.060 120.277 120.200 0.028 0.000 2.047 251 E HA -0.169 4.182 4.350 0.001 0.000 0.191 251 E C 2.191 178.846 176.600 0.092 0.000 0.987 251 E CA 1.304 57.755 56.400 0.086 0.000 0.799 251 E CB -0.039 29.670 29.700 0.014 0.000 0.752 251 E HN 0.425 nan 8.360 nan 0.000 0.449 252 A N 0.790 123.613 122.820 0.006 0.000 1.908 252 A HA -0.183 4.138 4.320 0.001 0.000 0.218 252 A C 2.582 180.067 177.584 -0.166 0.000 1.181 252 A CA 1.906 53.913 52.037 -0.050 0.000 0.627 252 A CB -0.817 18.174 19.000 -0.014 0.000 0.818 252 A HN 0.162 nan 8.150 nan 0.000 0.445 253 V N -2.128 117.672 119.914 -0.189 0.000 2.233 253 V HA -0.295 3.826 4.120 0.001 0.000 0.247 253 V C 2.192 178.234 176.094 -0.087 0.000 1.050 253 V CA 2.062 64.210 62.300 -0.252 0.000 1.010 253 V CB -1.272 30.515 31.823 -0.060 0.000 0.637 253 V HN 0.848 nan 8.190 nan 0.000 0.444 254 W N 1.051 122.263 121.300 -0.145 0.000 2.332 254 W HA -0.236 4.424 4.660 0.001 0.000 0.321 254 W C 2.865 179.272 176.519 -0.187 0.000 1.219 254 W CA 2.367 59.605 57.345 -0.180 0.000 1.277 254 W CB -0.407 28.891 29.460 -0.270 0.000 1.161 254 W HN 0.124 nan 8.180 nan 0.000 0.476 255 S N 0.624 116.431 115.700 0.179 0.000 2.374 255 S HA -0.262 4.208 4.470 0.001 0.000 0.227 255 S C 1.762 176.304 174.600 -0.096 0.000 1.037 255 S CA 1.841 60.077 58.200 0.060 0.000 1.024 255 S CB -0.584 62.695 63.200 0.132 0.000 0.861 255 S HN 0.307 nan 8.310 nan 0.000 0.456 256 I N 1.056 121.564 120.570 -0.103 0.000 2.252 256 I HA -0.114 4.057 4.170 0.001 0.000 0.245 256 I C 2.679 178.741 176.117 -0.092 0.000 1.102 256 I CA 1.004 62.270 61.300 -0.056 0.000 1.385 256 I CB -0.301 37.644 38.000 -0.090 0.000 1.064 256 I HN 0.193 nan 8.210 nan 0.000 0.414 257 E N 1.050 121.125 120.200 -0.209 0.000 2.204 257 E HA -0.180 4.171 4.350 0.001 0.000 0.195 257 E C 2.098 178.511 176.600 -0.312 0.000 0.990 257 E CA 1.378 57.633 56.400 -0.241 0.000 0.821 257 E CB 0.093 29.623 29.700 -0.284 0.000 0.750 257 E HN 0.496 nan 8.360 nan 0.000 0.477 258 A N -0.781 121.765 122.820 -0.455 0.000 2.044 258 A HA -0.072 4.249 4.320 0.001 0.000 0.213 258 A C 1.894 179.372 177.584 -0.176 0.000 1.169 258 A CA 0.307 52.071 52.037 -0.455 0.000 0.724 258 A CB -0.375 18.105 19.000 -0.867 0.000 0.840 258 A HN 0.268 nan 8.150 nan 0.000 0.463 259 Y N 1.687 121.856 120.300 -0.219 0.000 2.337 259 Y HA -0.111 4.439 4.550 0.001 0.000 0.293 259 Y C 2.414 178.268 175.900 -0.077 0.000 1.123 259 Y CA 1.576 59.610 58.100 -0.110 0.000 1.201 259 Y CB -0.110 38.311 38.460 -0.064 0.000 1.011 259 Y HN 0.446 nan 8.280 nan 0.000 0.545 260 R N -0.039 120.426 120.500 -0.057 0.000 2.328 260 R HA -0.059 4.282 4.340 0.001 0.000 0.207 260 R C 1.429 177.639 176.300 -0.150 0.000 1.056 260 R CA 1.224 57.264 56.100 -0.101 0.000 1.016 260 R CB -0.339 29.941 30.300 -0.034 0.000 0.872 260 R HN 0.259 nan 8.270 nan 0.000 0.471 261 K N 1.006 121.310 120.400 -0.160 0.000 2.211 261 K HA 0.079 4.399 4.320 0.001 0.000 0.201 261 K C 0.231 176.739 176.600 -0.153 0.000 1.052 261 K CA 0.384 56.585 56.287 -0.144 0.000 0.973 261 K CB 0.219 32.639 32.500 -0.134 0.000 0.766 261 K HN 0.098 nan 8.250 nan 0.000 0.466 262 K N 1.706 121.988 120.400 -0.197 0.000 2.448 262 K HA -0.026 4.295 4.320 0.001 0.000 0.278 262 K C 0.706 177.190 176.600 -0.194 0.000 1.009 262 K CA -0.025 56.147 56.287 -0.192 0.000 0.995 262 K CB 0.657 33.013 32.500 -0.240 0.000 0.917 262 K HN 0.028 nan 8.250 nan 0.000 0.481 263 E N 1.859 121.980 120.200 -0.133 0.000 2.112 263 E HA -0.133 4.218 4.350 0.001 0.000 0.190 263 E C 0.877 177.412 176.600 -0.108 0.000 0.979 263 E CA 1.126 57.461 56.400 -0.110 0.000 0.814 263 E CB -0.014 29.640 29.700 -0.076 0.000 0.762 263 E HN 0.647 nan 8.360 nan 0.000 0.460 264 D N 0.677 121.016 120.400 -0.101 0.000 2.338 264 D HA 0.050 4.691 4.640 0.001 0.000 0.239 264 D C 0.305 176.538 176.300 -0.112 0.000 1.095 264 D CA 0.005 53.959 54.000 -0.076 0.000 0.888 264 D CB -0.476 40.299 40.800 -0.042 0.000 0.899 264 D HN -0.070 nan 8.370 nan 0.000 0.525 265 A N 0.992 123.669 122.820 -0.238 0.000 2.488 265 A HA 0.083 4.404 4.320 0.001 0.000 0.249 265 A C 0.540 178.019 177.584 -0.176 0.000 1.083 265 A CA -0.478 51.284 52.037 -0.459 0.000 0.768 265 A CB 0.050 18.534 19.000 -0.858 0.000 1.017 265 A HN 0.166 nan 8.150 nan 0.000 0.496 266 N N 2.495 121.206 118.700 0.018 0.000 2.416 266 N HA -0.030 4.711 4.740 0.001 0.000 0.271 266 N C 0.889 176.472 175.510 0.120 0.000 1.245 266 N CA -0.034 53.077 53.050 0.101 0.000 0.940 266 N CB 0.651 39.233 38.487 0.158 0.000 1.175 266 N HN 0.607 nan 8.380 nan 0.000 0.483 267 Q N 2.910 122.768 119.800 0.097 0.000 2.124 267 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 267 Q C 1.718 177.719 176.000 0.002 0.000 0.977 267 Q CA 1.035 56.945 55.803 0.178 0.000 0.850 267 Q CB -0.264 28.630 28.738 0.260 0.000 0.901 267 Q HN 0.536 nan 8.270 nan 0.000 0.429 268 V N 1.159 121.057 119.914 -0.027 0.000 2.295 268 V HA -0.235 3.886 4.120 0.001 0.000 0.246 268 V C 2.313 178.348 176.094 -0.097 0.000 1.049 268 V CA 1.548 63.785 62.300 -0.105 0.000 1.024 268 V CB -0.639 31.149 31.823 -0.058 0.000 0.648 268 V HN 0.232 nan 8.190 nan 0.000 0.447 269 L N -0.601 120.618 121.223 -0.007 0.000 2.093 269 L HA -0.107 4.234 4.340 0.001 0.000 0.208 269 L C 2.145 179.048 176.870 0.055 0.000 1.085 269 L CA 1.662 56.514 54.840 0.020 0.000 0.755 269 L CB -0.571 41.516 42.059 0.047 0.000 0.904 269 L HN 0.217 nan 8.230 nan 0.000 0.435 270 L N -0.604 120.703 121.223 0.140 0.000 1.989 270 L HA -0.270 4.070 4.340 0.001 0.000 0.211 270 L C 2.576 179.456 176.870 0.017 0.000 1.071 270 L CA 2.069 57.032 54.840 0.204 0.000 0.749 270 L CB -0.285 41.973 42.059 0.331 0.000 0.890 270 L HN 0.472 nan 8.230 nan 0.000 0.431 271 E N -0.150 119.828 120.200 -0.371 0.000 2.077 271 E HA -0.277 4.074 4.350 0.001 0.000 0.193 271 E C 2.377 178.828 176.600 -0.249 0.000 0.989 271 E CA 1.185 57.194 56.400 -0.652 0.000 0.800 271 E CB -0.085 28.790 29.700 -1.374 0.000 0.746 271 E HN 0.513 nan 8.360 nan 0.000 0.452 272 L N 0.235 121.361 121.223 -0.161 0.000 2.017 272 L HA -0.206 4.135 4.340 0.001 0.000 0.208 272 L C 2.521 179.434 176.870 0.071 0.000 1.073 272 L CA 1.402 56.224 54.840 -0.031 0.000 0.745 272 L CB -0.468 41.614 42.059 0.037 0.000 0.894 272 L HN 0.249 nan 8.230 nan 0.000 0.432 273 A N 0.351 123.219 122.820 0.080 0.000 1.873 273 A HA -0.274 4.047 4.320 0.001 0.000 0.218 273 A C 2.078 179.765 177.584 0.171 0.000 1.193 273 A CA 2.168 54.281 52.037 0.126 0.000 0.629 273 A CB -0.836 18.214 19.000 0.084 0.000 0.826 273 A HN 0.492 nan 8.150 nan 0.000 0.447 274 I N -1.134 119.521 120.570 0.141 0.000 2.113 274 I HA -0.249 3.922 4.170 0.001 0.000 0.238 274 I C 2.383 178.631 176.117 0.218 0.000 1.070 274 I CA 1.085 62.498 61.300 0.188 0.000 1.332 274 I CB -0.504 37.601 38.000 0.175 0.000 1.044 274 I HN 0.235 nan 8.210 nan 0.000 0.402 275 L N 0.674 121.978 121.223 0.136 0.000 1.978 275 L HA -0.344 3.996 4.340 0.001 0.000 0.218 275 L C 2.372 179.394 176.870 0.253 0.000 1.075 275 L CA 2.120 57.056 54.840 0.160 0.000 0.767 275 L CB -0.993 41.051 42.059 -0.025 0.000 0.890 275 L HN 0.363 nan 8.230 nan 0.000 0.434 276 D N -2.027 118.528 120.400 0.257 0.000 2.149 276 D HA -0.275 4.366 4.640 0.001 0.000 0.198 276 D C 2.164 178.629 176.300 0.276 0.000 0.990 276 D CA 1.125 55.321 54.000 0.327 0.000 0.839 276 D CB 0.131 41.141 40.800 0.349 0.000 0.948 276 D HN 0.421 nan 8.370 nan 0.000 0.460 277 Y N 1.711 122.104 120.300 0.155 0.000 2.184 277 Y HA -0.117 4.434 4.550 0.002 0.000 0.290 277 Y C 2.098 178.053 175.900 0.092 0.000 1.129 277 Y CA 1.514 59.684 58.100 0.118 0.000 1.144 277 Y CB -0.358 38.169 38.460 0.112 0.000 0.995 277 Y HN -0.057 nan 8.280 nan 0.000 0.513 278 N N 0.113 118.911 118.700 0.163 0.000 2.244 278 N HA -0.204 4.537 4.740 0.001 0.000 0.183 278 N C 2.037 177.528 175.510 -0.031 0.000 1.016 278 N CA 1.547 54.629 53.050 0.055 0.000 0.866 278 N CB -0.469 38.123 38.487 0.174 0.000 0.980 278 N HN 0.513 nan 8.380 nan 0.000 0.430 279 M N 0.566 120.191 119.600 0.041 0.000 2.086 279 M HA -0.087 4.394 4.480 0.001 0.000 0.261 279 M C 1.811 178.050 176.300 -0.102 0.000 1.067 279 M CA 1.387 56.695 55.300 0.013 0.000 1.116 279 M CB -0.103 32.595 32.600 0.163 0.000 1.348 279 M HN -0.012 nan 8.290 nan 0.000 0.407 280 I N 0.129 120.598 120.570 -0.168 0.000 2.286 280 I HA -0.322 3.849 4.170 0.001 0.000 0.248 280 I C 2.607 178.286 176.117 -0.730 0.000 1.115 280 I CA 1.461 62.527 61.300 -0.391 0.000 1.392 280 I CB -0.578 37.202 38.000 -0.367 0.000 1.065 280 I HN 0.537 nan 8.210 nan 0.000 0.418 281 Q N 0.758 120.191 119.800 -0.611 0.000 2.226 281 Q HA -0.213 4.128 4.340 0.001 0.000 0.204 281 Q C 2.298 178.169 176.000 -0.215 0.000 0.975 281 Q CA 1.992 57.514 55.803 -0.469 0.000 0.866 281 Q CB 0.032 28.578 28.738 -0.321 0.000 0.915 281 Q HN 0.597 nan 8.270 nan 0.000 0.440 282 S N -1.109 114.485 115.700 -0.177 0.000 2.402 282 S HA -0.090 4.381 4.470 0.001 0.000 0.229 282 S C 1.900 176.466 174.600 -0.057 0.000 1.021 282 S CA 1.130 59.281 58.200 -0.082 0.000 0.974 282 S CB -0.462 62.689 63.200 -0.082 0.000 0.800 282 S HN 0.240 nan 8.310 nan 0.000 0.484 283 V N 0.866 120.708 119.914 -0.120 0.000 2.358 283 V HA -0.130 3.991 4.120 0.001 0.000 0.246 283 V C 2.424 178.585 176.094 0.112 0.000 1.047 283 V CA 1.685 63.961 62.300 -0.041 0.000 1.035 283 V CB -1.156 30.608 31.823 -0.098 0.000 0.658 283 V HN 0.445 nan 8.190 nan 0.000 0.452 284 Y N 1.029 121.398 120.300 0.115 0.000 2.165 284 Y HA -0.250 4.301 4.550 0.001 0.000 0.286 284 Y C 2.679 178.658 175.900 0.131 0.000 1.155 284 Y CA 1.216 59.475 58.100 0.265 0.000 1.164 284 Y CB -1.194 37.454 38.460 0.314 0.000 0.978 284 Y HN 0.365 nan 8.280 nan 0.000 0.513 285 Q N -0.379 119.539 119.800 0.197 0.000 2.124 285 Q HA -0.204 4.136 4.340 0.001 0.000 0.202 285 Q C 2.416 178.420 176.000 0.007 0.000 0.977 285 Q CA 1.520 57.358 55.803 0.057 0.000 0.850 285 Q CB -0.251 28.516 28.738 0.048 0.000 0.901 285 Q HN 0.409 nan 8.270 nan 0.000 0.429 286 R N 0.588 121.111 120.500 0.039 0.000 2.115 286 R HA -0.147 4.194 4.340 0.001 0.000 0.230 286 R C 1.080 177.399 176.300 0.032 0.000 1.111 286 R CA 1.508 57.627 56.100 0.031 0.000 0.976 286 R CB 0.148 30.472 30.300 0.040 0.000 0.870 286 R HN 0.217 nan 8.270 nan 0.000 0.445 287 D N 0.737 121.181 120.400 0.072 0.000 2.084 287 D HA -0.168 4.473 4.640 0.001 0.000 0.196 287 D C 1.788 178.006 176.300 -0.137 0.000 0.985 287 D CA 0.804 54.861 54.000 0.094 0.000 0.826 287 D CB -0.310 40.723 40.800 0.388 0.000 0.978 287 D HN 0.147 nan 8.370 nan 0.000 0.456 288 L N 1.104 122.024 121.223 -0.505 0.000 2.083 288 L HA -0.088 4.253 4.340 0.001 0.000 0.209 288 L C 2.165 178.887 176.870 -0.247 0.000 1.083 288 L CA 1.557 55.957 54.840 -0.734 0.000 0.752 288 L CB -0.439 41.104 42.059 -0.861 0.000 0.899 288 L HN -0.108 nan 8.230 nan 0.000 0.433 289 R N -0.562 119.863 120.500 -0.125 0.000 2.096 289 R HA -0.169 4.172 4.340 0.001 0.000 0.235 289 R C 2.079 178.393 176.300 0.023 0.000 1.127 289 R CA 1.854 57.938 56.100 -0.028 0.000 0.968 289 R CB -0.050 30.247 30.300 -0.006 0.000 0.861 289 R HN 0.557 nan 8.270 nan 0.000 0.440 290 E N -1.216 119.003 120.200 0.032 0.000 2.076 290 E HA -0.068 4.283 4.350 0.001 0.000 0.190 290 E C 1.820 178.507 176.600 0.146 0.000 0.979 290 E CA 1.433 57.885 56.400 0.087 0.000 0.807 290 E CB 0.074 29.823 29.700 0.082 0.000 0.761 290 E HN 0.263 nan 8.360 nan 0.000 0.454 291 T N 0.685 115.305 114.554 0.110 0.000 2.833 291 T HA -0.111 4.240 4.350 0.001 0.000 0.269 291 T C 2.074 176.976 174.700 0.337 0.000 1.054 291 T CA 1.138 63.361 62.100 0.205 0.000 1.135 291 T CB -0.111 68.824 68.868 0.112 0.000 0.869 291 T HN 0.019 nan 8.240 nan 0.000 0.466 292 S N 1.017 116.834 115.700 0.194 0.000 2.355 292 S HA -0.047 4.424 4.470 0.001 0.000 0.222 292 S C 2.187 176.939 174.600 0.254 0.000 1.031 292 S CA 0.909 59.245 58.200 0.228 0.000 0.993 292 S CB -0.165 63.104 63.200 0.115 0.000 0.859 292 S HN 0.435 nan 8.310 nan 0.000 0.453 293 R N -0.228 120.390 120.500 0.198 0.000 2.117 293 R HA -0.173 4.168 4.340 0.001 0.000 0.243 293 R C 2.046 178.474 176.300 0.212 0.000 1.143 293 R CA 1.780 57.977 56.100 0.162 0.000 0.968 293 R CB -0.337 30.044 30.300 0.136 0.000 0.863 293 R HN 0.594 nan 8.270 nan 0.000 0.444 294 W N 0.304 121.683 121.300 0.133 0.000 2.378 294 W HA -0.203 4.458 4.660 0.001 0.000 0.313 294 W C 1.969 178.612 176.519 0.207 0.000 1.197 294 W CA 0.915 58.356 57.345 0.160 0.000 1.304 294 W CB -0.621 28.953 29.460 0.191 0.000 1.148 294 W HN 0.157 nan 8.180 nan 0.000 0.494 295 W N 1.731 122.981 121.300 -0.084 0.000 2.318 295 W HA -0.280 4.381 4.660 0.001 0.000 0.313 295 W C 2.170 178.476 176.519 -0.355 0.000 1.221 295 W CA 1.912 59.009 57.345 -0.415 0.000 1.266 295 W CB -0.283 29.151 29.460 -0.043 0.000 1.150 295 W HN -0.076 nan 8.180 nan 0.000 0.496 296 R N -0.243 120.168 120.500 -0.148 0.000 2.092 296 R HA -0.147 4.194 4.340 0.001 0.000 0.231 296 R C 2.349 178.489 176.300 -0.267 0.000 1.119 296 R CA 1.297 57.257 56.100 -0.233 0.000 0.970 296 R CB -0.682 29.572 30.300 -0.076 0.000 0.864 296 R HN 0.194 nan 8.270 nan 0.000 0.440 297 R N 0.982 121.357 120.500 -0.208 0.000 2.083 297 R HA -0.129 4.211 4.340 0.001 0.000 0.237 297 R C 2.058 178.186 176.300 -0.286 0.000 1.137 297 R CA 1.580 57.570 56.100 -0.183 0.000 0.951 297 R CB -0.187 30.055 30.300 -0.097 0.000 0.851 297 R HN 0.034 nan 8.270 nan 0.000 0.434 298 V N 0.213 119.843 119.914 -0.474 0.000 2.343 298 V HA -0.083 4.038 4.120 0.001 0.000 0.247 298 V C 1.728 177.518 176.094 -0.507 0.000 1.051 298 V CA 1.666 63.656 62.300 -0.517 0.000 1.036 298 V CB -1.063 30.294 31.823 -0.777 0.000 0.654 298 V HN 0.758 nan 8.190 nan 0.000 0.451 299 G N 0.093 108.511 108.800 -0.636 0.000 2.269 299 G HA2 -0.347 3.613 3.960 0.001 0.000 0.277 299 G HA3 -0.347 3.613 3.960 0.001 0.000 0.277 299 G C 0.810 175.384 174.900 -0.543 0.000 1.008 299 G CA 0.791 45.560 45.100 -0.551 0.000 0.774 299 G HN 0.481 nan 8.290 nan 0.000 0.511 300 L N 0.000 120.817 121.223 -0.678 0.000 2.191 300 L HA 0.307 4.648 4.340 0.001 0.000 0.212 300 L C 2.824 179.379 176.870 -0.525 0.000 1.103 300 L CA 2.907 57.432 54.840 -0.526 0.000 0.769 300 L CB -0.597 41.149 42.059 -0.522 0.000 0.908 300 L HN 0.497 nan 8.230 nan 0.000 0.438 301 A N -1.220 121.190 122.820 -0.684 0.000 1.897 301 A HA -0.180 4.141 4.320 0.001 0.000 0.215 301 A C 2.350 179.734 177.584 -0.332 0.000 1.181 301 A CA 1.951 53.716 52.037 -0.453 0.000 0.620 301 A CB -1.217 17.554 19.000 -0.381 0.000 0.821 301 A HN 0.573 nan 8.150 nan 0.000 0.443 302 T N -3.155 111.206 114.554 -0.322 0.000 3.035 302 T HA 0.005 4.356 4.350 0.001 0.000 0.268 302 T C 1.662 176.259 174.700 -0.171 0.000 1.109 302 T CA 1.543 63.523 62.100 -0.199 0.000 1.119 302 T CB -0.088 68.674 68.868 -0.175 0.000 0.900 302 T HN 0.230 nan 8.240 nan 0.000 0.503 303 K N 0.490 120.743 120.400 -0.245 0.000 2.211 303 K HA 0.383 4.704 4.320 0.001 0.000 0.201 303 K C 0.516 176.876 176.600 -0.400 0.000 1.052 303 K CA 0.269 56.413 56.287 -0.239 0.000 0.973 303 K CB -0.121 32.253 32.500 -0.210 0.000 0.766 303 K HN 0.422 nan 8.250 nan 0.000 0.466 304 L N 1.987 122.950 121.223 -0.434 0.000 2.260 304 L HA 0.174 4.515 4.340 0.001 0.000 0.289 304 L C 0.653 177.217 176.870 -0.511 0.000 1.057 304 L CA -0.523 53.964 54.840 -0.588 0.000 0.811 304 L CB 1.030 42.587 42.059 -0.835 0.000 1.184 304 L HN 0.261 nan 8.230 nan 0.000 0.429 305 H N 3.755 122.743 119.070 -0.137 0.000 2.546 305 H HA -0.104 4.453 4.556 0.001 0.000 0.277 305 H C 1.498 176.803 175.328 -0.039 0.000 1.004 305 H CA 1.135 57.147 56.048 -0.060 0.000 1.231 305 H CB -0.064 29.715 29.762 0.029 0.000 1.382 305 H HN 0.755 nan 8.280 nan 0.000 0.580 306 F N 0.030 119.906 119.950 -0.124 0.000 2.678 306 F HA 0.589 5.116 4.527 0.001 0.000 0.291 306 F C 1.227 176.965 175.800 -0.104 0.000 1.123 306 F CA -0.487 57.446 58.000 -0.111 0.000 1.395 306 F CB -0.121 38.748 39.000 -0.218 0.000 1.121 306 F HN -0.044 nan 8.300 nan 0.000 0.592 307 A N 3.223 125.384 122.820 -1.099 0.000 2.511 307 A HA 0.379 4.699 4.320 0.001 0.000 0.242 307 A C 0.401 177.821 177.584 -0.273 0.000 1.069 307 A CA -0.506 51.102 52.037 -0.714 0.000 0.763 307 A CB -0.000 18.552 19.000 -0.747 0.000 1.001 307 A HN 0.597 nan 8.150 nan 0.000 0.498 308 R N 2.301 122.724 120.500 -0.130 0.000 2.407 308 R HA 0.415 4.756 4.340 0.001 0.000 0.303 308 R C -1.325 174.999 176.300 0.040 0.000 0.981 308 R CA -0.743 55.341 56.100 -0.027 0.000 0.905 308 R CB 1.338 31.640 30.300 0.003 0.000 1.099 308 R HN 0.568 nan 8.270 nan 0.000 0.459 309 D N 2.853 123.307 120.400 0.089 0.000 2.393 309 D HA 0.105 4.746 4.640 0.001 0.000 0.232 309 D C -0.276 176.099 176.300 0.126 0.000 1.192 309 D CA -0.191 53.934 54.000 0.207 0.000 0.882 309 D CB 0.726 41.668 40.800 0.236 0.000 1.038 309 D HN 0.537 nan 8.370 nan 0.000 0.499 310 R N 3.793 124.329 120.500 0.060 0.000 2.767 310 R HA 0.112 4.452 4.340 0.001 0.000 0.377 310 R C 1.466 177.754 176.300 -0.021 0.000 1.151 310 R CA -0.539 55.587 56.100 0.044 0.000 1.046 310 R CB 0.733 31.072 30.300 0.066 0.000 1.404 310 R HN 0.390 nan 8.270 nan 0.000 0.580 311 L N 1.058 122.176 121.223 -0.176 0.000 2.042 311 L HA -0.170 4.171 4.340 0.001 0.000 0.210 311 L C 1.618 178.472 176.870 -0.028 0.000 1.076 311 L CA 1.968 56.609 54.840 -0.330 0.000 0.749 311 L CB -0.130 41.567 42.059 -0.603 0.000 0.893 311 L HN 0.252 nan 8.230 nan 0.000 0.432 312 I N 0.140 120.739 120.570 0.048 0.000 2.315 312 I HA -0.227 3.943 4.170 0.001 0.000 0.248 312 I C 2.467 178.703 176.117 0.199 0.000 1.117 312 I CA 1.051 62.425 61.300 0.123 0.000 1.404 312 I CB -1.124 36.933 38.000 0.095 0.000 1.071 312 I HN 0.335 nan 8.210 nan 0.000 0.419 313 E N 0.635 120.942 120.200 0.178 0.000 2.150 313 E HA -0.113 4.238 4.350 0.001 0.000 0.193 313 E C 2.257 178.999 176.600 0.236 0.000 0.985 313 E CA 1.128 57.667 56.400 0.232 0.000 0.814 313 E CB -0.011 29.827 29.700 0.231 0.000 0.752 313 E HN 0.339 nan 8.360 nan 0.000 0.466 314 S N 0.418 116.267 115.700 0.248 0.000 2.419 314 S HA -0.119 4.352 4.470 0.001 0.000 0.233 314 S C 1.463 176.139 174.600 0.126 0.000 1.016 314 S CA 0.725 59.051 58.200 0.210 0.000 0.974 314 S CB -0.139 63.249 63.200 0.313 0.000 0.786 314 S HN 0.246 nan 8.310 nan 0.000 0.492 315 F N 0.422 120.403 119.950 0.051 0.000 2.317 315 F HA 0.110 4.638 4.527 0.001 0.000 0.293 315 F C 1.955 177.752 175.800 -0.004 0.000 1.085 315 F CA 0.317 58.328 58.000 0.018 0.000 1.390 315 F CB -0.378 38.641 39.000 0.031 0.000 1.077 315 F HN 0.220 nan 8.300 nan 0.000 0.517 316 Y N -0.295 120.024 120.300 0.031 0.000 2.224 316 Y HA -0.268 4.283 4.550 0.001 0.000 0.289 316 Y C 2.376 178.180 175.900 -0.161 0.000 1.146 316 Y CA 2.024 60.092 58.100 -0.054 0.000 1.182 316 Y CB -0.791 37.691 38.460 0.038 0.000 0.983 316 Y HN 0.355 nan 8.280 nan 0.000 0.524 317 W N 1.026 122.105 121.300 -0.368 0.000 2.378 317 W HA -0.174 4.486 4.660 0.001 0.000 0.313 317 W C 2.328 178.517 176.519 -0.551 0.000 1.197 317 W CA 2.279 59.288 57.345 -0.559 0.000 1.304 317 W CB -0.824 28.129 29.460 -0.844 0.000 1.148 317 W HN 0.203 nan 8.180 nan 0.000 0.494 318 A N 0.666 123.317 122.820 -0.281 0.000 1.948 318 A HA -0.213 4.108 4.320 0.001 0.000 0.220 318 A C 2.116 179.377 177.584 -0.538 0.000 1.177 318 A CA 2.374 54.192 52.037 -0.365 0.000 0.636 318 A CB -1.192 17.579 19.000 -0.383 0.000 0.815 318 A HN 0.150 nan 8.150 nan 0.000 0.449 319 V N -0.227 119.270 119.914 -0.696 0.000 2.490 319 V HA -0.189 3.931 4.120 0.001 0.000 0.250 319 V C 2.730 178.537 176.094 -0.479 0.000 1.061 319 V CA 1.877 63.769 62.300 -0.680 0.000 1.064 319 V CB -1.216 30.111 31.823 -0.827 0.000 0.670 319 V HN 0.648 nan 8.190 nan 0.000 0.461 320 G N -0.413 108.031 108.800 -0.594 0.000 2.418 320 G HA2 -0.185 3.776 3.960 0.001 0.000 0.217 320 G HA3 -0.185 3.776 3.960 0.001 0.000 0.217 320 G C 1.605 176.253 174.900 -0.419 0.000 1.158 320 G CA 1.197 45.971 45.100 -0.543 0.000 0.771 320 G HN 0.421 nan 8.290 nan 0.000 0.545 321 V N 0.299 119.928 119.914 -0.476 0.000 2.548 321 V HA 0.340 4.461 4.120 0.001 0.000 0.249 321 V C 1.399 177.359 176.094 -0.224 0.000 1.055 321 V CA 1.492 63.583 62.300 -0.348 0.000 1.065 321 V CB -0.240 31.385 31.823 -0.330 0.000 0.681 321 V HN 0.514 nan 8.190 nan 0.000 0.462 322 A N -0.459 122.242 122.820 -0.198 0.000 2.872 322 A HA 0.530 4.851 4.320 0.001 0.000 0.305 322 A C 0.222 177.775 177.584 -0.051 0.000 1.171 322 A CA -0.503 51.460 52.037 -0.123 0.000 0.782 322 A CB 0.151 19.043 19.000 -0.181 0.000 1.329 322 A HN 0.341 nan 8.150 nan 0.000 0.432 323 F N 0.730 120.646 119.950 -0.058 0.000 2.293 323 F HA 0.253 4.781 4.527 0.002 0.000 0.297 323 F C 0.601 176.427 175.800 0.045 0.000 1.089 323 F CA 0.218 58.211 58.000 -0.012 0.000 1.377 323 F CB -0.382 38.595 39.000 -0.039 0.000 1.051 323 F HN 0.429 nan 8.300 nan 0.000 0.511 324 E N 4.005 123.526 120.200 -1.131 0.000 2.558 324 E HA -0.048 4.303 4.350 0.001 0.000 0.255 324 E C -1.367 174.980 176.600 -0.422 0.000 0.968 324 E CA -0.779 55.039 56.400 -0.970 0.000 0.939 324 E CB 0.331 29.429 29.700 -1.002 0.000 0.921 324 E HN 0.136 nan 8.360 nan 0.000 0.477 325 P HA -0.325 nan 4.420 nan 0.000 0.217 325 P C 1.150 178.387 177.300 -0.105 0.000 1.158 325 P CA 1.609 64.626 63.100 -0.138 0.000 0.887 325 P CB 0.098 31.734 31.700 -0.106 0.000 0.792 326 Q N -0.984 118.690 119.800 -0.211 0.000 2.439 326 Q HA -0.166 4.175 4.340 0.001 0.000 0.211 326 Q C 0.562 176.487 176.000 -0.125 0.000 0.978 326 Q CA 1.244 56.931 55.803 -0.193 0.000 0.897 326 Q CB -1.152 27.426 28.738 -0.268 0.000 0.956 326 Q HN 0.329 nan 8.270 nan 0.000 0.483 327 Y N 1.784 122.059 120.300 -0.041 0.000 2.873 327 Y HA 0.270 4.821 4.550 0.001 0.000 0.375 327 Y C 1.689 177.587 175.900 -0.003 0.000 1.070 327 Y CA -0.752 57.322 58.100 -0.042 0.000 1.644 327 Y CB -0.103 38.298 38.460 -0.097 0.000 1.495 327 Y HN 0.068 nan 8.280 nan 0.000 0.494 328 S N -0.283 115.514 115.700 0.163 0.000 2.356 328 S HA -0.180 4.291 4.470 0.001 0.000 0.223 328 S C 1.627 176.310 174.600 0.139 0.000 1.032 328 S CA 1.495 59.791 58.200 0.160 0.000 1.005 328 S CB -0.016 63.269 63.200 0.143 0.000 0.867 328 S HN 0.573 nan 8.310 nan 0.000 0.449 329 D N 0.813 121.285 120.400 0.120 0.000 2.104 329 D HA -0.136 4.505 4.640 0.001 0.000 0.194 329 D C 2.191 178.545 176.300 0.091 0.000 0.994 329 D CA 1.120 55.179 54.000 0.098 0.000 0.830 329 D CB -0.587 40.264 40.800 0.085 0.000 0.959 329 D HN 0.429 nan 8.370 nan 0.000 0.452 330 C N 1.216 120.563 119.300 0.080 0.000 2.429 330 C HA -0.094 4.367 4.460 0.001 0.000 0.277 330 C C 2.777 177.777 174.990 0.017 0.000 1.262 330 C CA 0.761 59.798 59.018 0.031 0.000 1.733 330 C CB -0.974 26.719 27.740 -0.079 0.000 2.010 330 C HN 0.209 nan 8.230 nan 0.000 0.483 331 R N 0.689 121.191 120.500 0.004 0.000 2.096 331 R HA -0.086 4.255 4.340 0.001 0.000 0.235 331 R C 2.119 178.423 176.300 0.008 0.000 1.127 331 R CA 2.038 58.086 56.100 -0.085 0.000 0.968 331 R CB -0.241 29.985 30.300 -0.123 0.000 0.861 331 R HN 0.628 nan 8.270 nan 0.000 0.440 332 N N -0.429 118.333 118.700 0.102 0.000 2.135 332 N HA -0.088 4.652 4.740 0.001 0.000 0.186 332 N C 1.739 177.272 175.510 0.038 0.000 1.027 332 N CA 1.542 54.658 53.050 0.110 0.000 0.849 332 N CB -0.363 38.172 38.487 0.080 0.000 1.002 332 N HN 0.073 nan 8.380 nan 0.000 0.425 333 S N 0.631 116.366 115.700 0.058 0.000 2.370 333 S HA -0.058 4.413 4.470 0.001 0.000 0.226 333 S C 2.210 176.849 174.600 0.064 0.000 1.033 333 S CA 0.756 59.003 58.200 0.079 0.000 1.011 333 S CB -0.212 63.119 63.200 0.218 0.000 0.852 333 S HN 0.093 nan 8.310 nan 0.000 0.457 334 V N 1.645 121.612 119.914 0.087 0.000 2.548 334 V HA -0.108 4.013 4.120 0.001 0.000 0.249 334 V C 2.526 178.706 176.094 0.144 0.000 1.055 334 V CA 1.416 63.786 62.300 0.118 0.000 1.065 334 V CB -1.133 30.747 31.823 0.094 0.000 0.681 334 V HN 0.519 nan 8.190 nan 0.000 0.462 335 A N 0.290 123.174 122.820 0.106 0.000 1.855 335 A HA -0.213 4.108 4.320 0.001 0.000 0.215 335 A C 2.289 179.968 177.584 0.158 0.000 1.191 335 A CA 1.880 54.011 52.037 0.156 0.000 0.613 335 A CB -0.435 18.706 19.000 0.235 0.000 0.829 335 A HN 0.511 nan 8.150 nan 0.000 0.442 336 K N -1.483 118.950 120.400 0.055 0.000 2.063 336 K HA -0.163 4.158 4.320 0.001 0.000 0.208 336 K C 2.040 178.851 176.600 0.353 0.000 1.048 336 K CA 1.687 58.012 56.287 0.063 0.000 0.928 336 K CB -0.305 32.000 32.500 -0.324 0.000 0.713 336 K HN 0.327 nan 8.250 nan 0.000 0.442 337 M N 0.193 119.927 119.600 0.223 0.000 2.059 337 M HA -0.107 4.374 4.480 0.001 0.000 0.259 337 M C 1.955 178.490 176.300 0.392 0.000 1.072 337 M CA 1.391 56.865 55.300 0.290 0.000 1.117 337 M CB -0.661 31.952 32.600 0.021 0.000 1.320 337 M HN 0.059 nan 8.290 nan 0.000 0.408 338 F N 0.151 120.177 119.950 0.125 0.000 2.154 338 F HA -0.270 4.258 4.527 0.001 0.000 0.301 338 F C 2.352 178.198 175.800 0.075 0.000 1.087 338 F CA 1.860 59.887 58.000 0.044 0.000 1.274 338 F CB -0.511 38.437 39.000 -0.087 0.000 1.009 338 F HN 0.101 nan 8.300 nan 0.000 0.485 339 S N -0.119 115.683 115.700 0.169 0.000 2.356 339 S HA -0.188 4.283 4.470 0.001 0.000 0.223 339 S C 1.861 176.480 174.600 0.031 0.000 1.032 339 S CA 1.460 59.614 58.200 -0.077 0.000 1.005 339 S CB -0.724 62.255 63.200 -0.367 0.000 0.867 339 S HN 0.360 nan 8.310 nan 0.000 0.449 340 F N 1.371 121.465 119.950 0.240 0.000 2.234 340 F HA -0.060 4.468 4.527 0.001 0.000 0.299 340 F C 2.241 178.248 175.800 0.344 0.000 1.087 340 F CA 0.483 58.671 58.000 0.314 0.000 1.340 340 F CB -0.540 38.652 39.000 0.320 0.000 1.031 340 F HN 0.000 nan 8.300 nan 0.000 0.500 341 V N -0.999 119.215 119.914 0.500 0.000 2.270 341 V HA -0.292 3.829 4.120 0.001 0.000 0.245 341 V C 2.307 178.479 176.094 0.129 0.000 1.043 341 V CA 2.311 64.841 62.300 0.383 0.000 1.014 341 V CB -1.162 30.760 31.823 0.165 0.000 0.645 341 V HN 0.297 nan 8.190 nan 0.000 0.447 342 T N 0.583 115.084 114.554 -0.088 0.000 2.653 342 T HA -0.236 4.114 4.350 0.001 0.000 0.268 342 T C 1.720 176.406 174.700 -0.024 0.000 1.035 342 T CA 2.278 64.293 62.100 -0.141 0.000 1.154 342 T CB -0.336 68.406 68.868 -0.210 0.000 0.862 342 T HN 0.351 nan 8.240 nan 0.000 0.441 343 I N 0.323 120.917 120.570 0.040 0.000 2.094 343 I HA -0.109 4.062 4.170 0.001 0.000 0.234 343 I C 2.317 178.492 176.117 0.095 0.000 1.063 343 I CA 1.406 62.733 61.300 0.045 0.000 1.328 343 I CB -0.474 37.556 38.000 0.050 0.000 1.058 343 I HN 0.184 nan 8.210 nan 0.000 0.400 344 I N 1.058 121.735 120.570 0.178 0.000 2.315 344 I HA -0.338 3.833 4.170 0.001 0.000 0.251 344 I C 2.229 178.343 176.117 -0.006 0.000 1.125 344 I CA 1.821 63.219 61.300 0.163 0.000 1.392 344 I CB -0.610 37.642 38.000 0.419 0.000 1.065 344 I HN 0.388 nan 8.210 nan 0.000 0.424 345 D N 1.238 121.537 120.400 -0.169 0.000 2.104 345 D HA -0.247 4.394 4.640 0.001 0.000 0.194 345 D C 1.748 177.901 176.300 -0.245 0.000 0.994 345 D CA 1.663 55.322 54.000 -0.568 0.000 0.830 345 D CB -0.025 40.594 40.800 -0.302 0.000 0.959 345 D HN 0.206 nan 8.370 nan 0.000 0.452 346 D N -0.248 120.127 120.400 -0.042 0.000 2.178 346 D HA -0.104 4.537 4.640 0.001 0.000 0.201 346 D C 2.172 178.539 176.300 0.112 0.000 0.980 346 D CA 0.581 54.626 54.000 0.076 0.000 0.842 346 D CB -0.172 40.737 40.800 0.182 0.000 0.948 346 D HN 0.441 nan 8.370 nan 0.000 0.472 347 I N -0.401 120.235 120.570 0.110 0.000 2.394 347 I HA -0.250 3.920 4.170 0.001 0.000 0.251 347 I C 1.830 177.882 176.117 -0.108 0.000 1.136 347 I CA 0.858 62.172 61.300 0.024 0.000 1.425 347 I CB -0.179 37.794 38.000 -0.045 0.000 1.079 347 I HN -0.011 nan 8.210 nan 0.000 0.425 348 Y N 0.985 121.199 120.300 -0.144 0.000 2.420 348 Y HA -0.134 4.417 4.550 0.001 0.000 0.292 348 Y C 2.130 177.988 175.900 -0.070 0.000 1.119 348 Y CA 1.054 59.080 58.100 -0.123 0.000 1.229 348 Y CB 0.028 38.358 38.460 -0.216 0.000 1.026 348 Y HN 0.335 nan 8.280 nan 0.000 0.554 349 D N -1.248 119.191 120.400 0.066 0.000 2.433 349 D HA 0.045 4.686 4.640 0.001 0.000 0.211 349 D C 0.836 177.168 176.300 0.054 0.000 1.114 349 D CA 0.854 54.896 54.000 0.071 0.000 0.837 349 D CB 0.122 40.962 40.800 0.067 0.000 0.984 349 D HN 0.337 nan 8.370 nan 0.000 0.505 350 V N -3.297 116.638 119.914 0.034 0.000 3.119 350 V HA 0.178 4.299 4.120 0.001 0.000 0.245 350 V C 1.506 177.576 176.094 -0.039 0.000 1.598 350 V CA -0.356 61.957 62.300 0.021 0.000 1.116 350 V CB -0.492 31.368 31.823 0.062 0.000 0.981 350 V HN 0.063 nan 8.190 nan 0.000 0.430 351 Y N 2.772 122.933 120.300 -0.232 0.000 2.314 351 Y HA 0.724 5.274 4.550 0.001 0.000 0.294 351 Y C 1.713 177.386 175.900 -0.379 0.000 1.139 351 Y CA 0.806 58.640 58.100 -0.443 0.000 1.162 351 Y CB 0.035 37.927 38.460 -0.947 0.000 1.121 351 Y HN 0.332 nan 8.280 nan 0.000 0.529 352 G N 0.695 109.406 108.800 -0.148 0.000 2.444 352 G HA2 0.385 4.346 3.960 0.001 0.000 0.268 352 G HA3 0.385 4.346 3.960 0.001 0.000 0.268 352 G C -0.447 174.358 174.900 -0.159 0.000 1.203 352 G CA 0.040 45.067 45.100 -0.122 0.000 0.835 352 G HN 0.295 nan 8.290 nan 0.000 0.543 353 T N 0.073 114.538 114.554 -0.149 0.000 2.899 353 T HA 0.264 4.615 4.350 0.001 0.000 0.284 353 T C 1.759 176.370 174.700 -0.148 0.000 1.004 353 T CA -0.804 61.202 62.100 -0.156 0.000 1.043 353 T CB 1.148 69.927 68.868 -0.149 0.000 1.013 353 T HN 0.250 nan 8.240 nan 0.000 0.518 354 L N 0.461 121.563 121.223 -0.201 0.000 2.089 354 L HA -0.161 4.180 4.340 0.001 0.000 0.213 354 L C 2.377 179.180 176.870 -0.111 0.000 1.079 354 L CA 1.613 56.350 54.840 -0.171 0.000 0.758 354 L CB -0.591 41.296 42.059 -0.286 0.000 0.891 354 L HN 0.716 nan 8.230 nan 0.000 0.433 355 D N -0.292 120.039 120.400 -0.115 0.000 2.144 355 D HA -0.158 4.483 4.640 0.001 0.000 0.200 355 D C 2.132 178.402 176.300 -0.051 0.000 0.978 355 D CA 1.070 55.027 54.000 -0.072 0.000 0.833 355 D CB -0.005 40.754 40.800 -0.068 0.000 0.961 355 D HN 0.457 nan 8.370 nan 0.000 0.470 356 E N 0.258 120.424 120.200 -0.056 0.000 2.046 356 E HA -0.044 4.306 4.350 0.001 0.000 0.190 356 E C 2.425 178.998 176.600 -0.046 0.000 0.982 356 E CA 0.275 56.654 56.400 -0.036 0.000 0.800 356 E CB -0.034 29.668 29.700 0.003 0.000 0.756 356 E HN 0.241 nan 8.360 nan 0.000 0.449 357 L N 0.942 122.106 121.223 -0.098 0.000 2.042 357 L HA -0.225 4.116 4.340 0.001 0.000 0.210 357 L C 2.558 179.469 176.870 0.068 0.000 1.076 357 L CA 1.205 55.958 54.840 -0.144 0.000 0.749 357 L CB -0.349 41.631 42.059 -0.131 0.000 0.893 357 L HN 0.108 nan 8.230 nan 0.000 0.432 358 E N 0.478 120.706 120.200 0.047 0.000 2.085 358 E HA -0.205 4.146 4.350 0.001 0.000 0.194 358 E C 2.247 178.881 176.600 0.055 0.000 0.994 358 E CA 1.194 57.632 56.400 0.064 0.000 0.801 358 E CB -0.181 29.528 29.700 0.016 0.000 0.743 358 E HN 0.341 nan 8.360 nan 0.000 0.453 359 L N -0.650 120.584 121.223 0.017 0.000 2.046 359 L HA -0.147 4.193 4.340 0.001 0.000 0.208 359 L C 2.218 179.064 176.870 -0.040 0.000 1.077 359 L CA 1.065 55.887 54.840 -0.030 0.000 0.747 359 L CB -0.387 41.637 42.059 -0.058 0.000 0.896 359 L HN 0.205 nan 8.230 nan 0.000 0.432 360 F N 0.662 120.559 119.950 -0.089 0.000 2.113 360 F HA -0.233 4.295 4.527 0.001 0.000 0.297 360 F C 2.554 178.416 175.800 0.103 0.000 1.103 360 F CA 2.015 59.987 58.000 -0.046 0.000 1.248 360 F CB -0.348 38.623 39.000 -0.049 0.000 0.999 360 F HN -0.048 nan 8.300 nan 0.000 0.475 361 T N -0.590 114.185 114.554 0.368 0.000 2.665 361 T HA -0.287 4.064 4.350 0.001 0.000 0.268 361 T C 1.493 176.279 174.700 0.143 0.000 1.035 361 T CA 1.926 64.229 62.100 0.339 0.000 1.151 361 T CB -0.571 68.485 68.868 0.313 0.000 0.862 361 T HN 0.341 nan 8.240 nan 0.000 0.438 362 D N 0.829 121.262 120.400 0.056 0.000 2.178 362 D HA 0.039 4.680 4.640 0.001 0.000 0.202 362 D C 2.153 178.417 176.300 -0.061 0.000 0.974 362 D CA 0.961 54.965 54.000 0.006 0.000 0.841 362 D CB -0.267 40.522 40.800 -0.019 0.000 0.953 362 D HN 0.358 nan 8.370 nan 0.000 0.478 363 A N -0.248 122.442 122.820 -0.216 0.000 1.898 363 A HA -0.083 4.238 4.320 0.001 0.000 0.216 363 A C 2.408 179.904 177.584 -0.146 0.000 1.181 363 A CA 1.391 53.158 52.037 -0.451 0.000 0.620 363 A CB -0.698 17.678 19.000 -1.040 0.000 0.819 363 A HN 0.205 nan 8.150 nan 0.000 0.442 364 V N 0.179 120.116 119.914 0.039 0.000 2.515 364 V HA -0.223 3.898 4.120 0.001 0.000 0.250 364 V C 2.348 178.720 176.094 0.463 0.000 1.058 364 V CA 2.058 64.633 62.300 0.458 0.000 1.064 364 V CB -0.784 31.303 31.823 0.441 0.000 0.675 364 V HN 0.609 nan 8.190 nan 0.000 0.461 365 E N 0.132 120.487 120.200 0.258 0.000 2.047 365 E HA -0.174 4.177 4.350 0.001 0.000 0.191 365 E C 2.458 179.192 176.600 0.222 0.000 0.987 365 E CA 1.038 57.562 56.400 0.208 0.000 0.799 365 E CB -0.160 29.615 29.700 0.125 0.000 0.752 365 E HN 0.530 nan 8.360 nan 0.000 0.449 366 R N -0.204 120.405 120.500 0.182 0.000 2.148 366 R HA -0.082 4.259 4.340 0.001 0.000 0.223 366 R C 0.550 177.044 176.300 0.322 0.000 1.088 366 R CA 0.266 56.469 56.100 0.171 0.000 0.985 366 R CB -0.073 30.265 30.300 0.063 0.000 0.880 366 R HN 0.374 nan 8.270 nan 0.000 0.451 367 W N 2.389 123.793 121.300 0.174 0.000 6.351 367 W HA -0.239 4.421 4.660 0.001 0.000 0.403 367 W C -1.191 175.540 176.519 0.354 0.000 1.540 367 W CA 0.564 58.107 57.345 0.331 0.000 1.055 367 W CB -1.106 28.483 29.460 0.215 0.000 2.721 367 W HN 0.102 nan 8.180 nan 0.000 1.542 368 D N 0.911 121.378 120.400 0.113 0.000 2.453 368 D HA 0.250 4.891 4.640 0.001 0.000 0.238 368 D C 0.592 176.753 176.300 -0.232 0.000 1.088 368 D CA 0.048 54.038 54.000 -0.016 0.000 0.854 368 D CB 1.667 42.459 40.800 -0.013 0.000 1.076 368 D HN -0.072 nan 8.370 nan 0.000 0.533 369 V N 4.730 124.393 119.914 -0.420 0.000 2.407 369 V HA -0.171 3.950 4.120 0.001 0.000 0.248 369 V C 1.289 177.221 176.094 -0.270 0.000 1.055 369 V CA 1.560 63.518 62.300 -0.570 0.000 1.049 369 V CB -0.404 31.062 31.823 -0.594 0.000 0.662 369 V HN 0.584 nan 8.190 nan 0.000 0.455 370 N N 0.985 119.585 118.700 -0.167 0.000 2.666 370 N HA -0.008 4.733 4.740 0.001 0.000 0.194 370 N C 0.603 176.037 175.510 -0.126 0.000 1.220 370 N CA 1.038 54.019 53.050 -0.116 0.000 0.928 370 N CB 0.045 38.490 38.487 -0.070 0.000 0.997 370 N HN 0.603 nan 8.380 nan 0.000 0.447 371 A N 0.361 123.077 122.820 -0.174 0.000 2.992 371 A HA 0.272 4.593 4.320 0.001 0.000 0.263 371 A C 1.015 178.435 177.584 -0.274 0.000 0.928 371 A CA -0.517 51.407 52.037 -0.189 0.000 1.061 371 A CB -0.446 18.452 19.000 -0.170 0.000 1.173 371 A HN 0.287 nan 8.150 nan 0.000 0.482 372 I N -4.016 116.406 120.570 -0.246 0.000 3.968 372 I HA 0.191 4.362 4.170 0.001 0.000 0.328 372 I C 0.784 176.786 176.117 -0.192 0.000 1.290 372 I CA 0.094 61.227 61.300 -0.279 0.000 1.163 372 I CB 0.054 37.960 38.000 -0.157 0.000 1.024 372 I HN 0.136 nan 8.210 nan 0.000 0.413 373 N N 1.915 120.525 118.700 -0.151 0.000 2.494 373 N HA -0.077 4.663 4.740 0.001 0.000 0.182 373 N C 0.717 176.162 175.510 -0.109 0.000 1.076 373 N CA 0.814 53.798 53.050 -0.109 0.000 0.908 373 N CB -0.075 38.361 38.487 -0.086 0.000 0.967 373 N HN 0.521 nan 8.380 nan 0.000 0.449 374 D N 0.461 120.777 120.400 -0.140 0.000 2.347 374 D HA 0.059 4.700 4.640 0.001 0.000 0.213 374 D C 0.611 176.833 176.300 -0.131 0.000 0.985 374 D CA 0.246 54.171 54.000 -0.125 0.000 0.879 374 D CB 0.798 41.516 40.800 -0.137 0.000 0.919 374 D HN 0.228 nan 8.370 nan 0.000 0.526 375 L N 2.426 123.553 121.223 -0.160 0.000 2.343 375 L HA 0.308 4.649 4.340 0.001 0.000 0.275 375 L C -2.045 174.758 176.870 -0.112 0.000 1.056 375 L CA -1.972 52.775 54.840 -0.154 0.000 0.804 375 L CB 1.160 43.092 42.059 -0.213 0.000 1.203 375 L HN -0.252 nan 8.230 nan 0.000 0.440 376 P HA -0.005 nan 4.420 nan 0.000 0.269 376 P C -0.293 176.972 177.300 -0.058 0.000 1.215 376 P CA -0.264 62.811 63.100 -0.041 0.000 0.780 376 P CB 0.857 32.577 31.700 0.034 0.000 0.898 377 D N 1.552 121.974 120.400 0.035 0.000 2.204 377 D HA -0.250 4.391 4.640 0.001 0.000 0.189 377 D C 1.890 178.228 176.300 0.063 0.000 1.006 377 D CA 2.092 56.122 54.000 0.050 0.000 0.855 377 D CB -1.004 39.847 40.800 0.086 0.000 0.946 377 D HN 0.649 nan 8.370 nan 0.000 0.448 378 Y N -0.037 120.289 120.300 0.043 0.000 2.207 378 Y HA -0.098 4.453 4.550 0.001 0.000 0.287 378 Y C 2.450 178.399 175.900 0.080 0.000 1.156 378 Y CA 1.027 59.153 58.100 0.043 0.000 1.182 378 Y CB -0.661 37.834 38.460 0.059 0.000 0.979 378 Y HN -0.115 nan 8.280 nan 0.000 0.521 379 M N 0.556 119.715 119.600 -0.736 0.000 2.254 379 M HA -0.093 4.388 4.480 0.001 0.000 0.265 379 M C 2.357 178.669 176.300 0.019 0.000 1.066 379 M CA 1.509 56.585 55.300 -0.374 0.000 1.123 379 M CB -0.250 32.119 32.600 -0.385 0.000 1.388 379 M HN 0.316 nan 8.290 nan 0.000 0.425 380 K N 1.017 121.389 120.400 -0.047 0.000 2.009 380 K HA -0.174 4.147 4.320 0.001 0.000 0.210 380 K C 1.999 178.642 176.600 0.071 0.000 1.049 380 K CA 1.183 57.475 56.287 0.008 0.000 0.929 380 K CB -0.162 32.317 32.500 -0.034 0.000 0.714 380 K HN 0.227 nan 8.250 nan 0.000 0.440 381 L N 1.238 122.484 121.223 0.038 0.000 2.042 381 L HA -0.245 4.096 4.340 0.001 0.000 0.210 381 L C 2.569 179.483 176.870 0.073 0.000 1.076 381 L CA 1.702 56.559 54.840 0.028 0.000 0.749 381 L CB -0.834 41.221 42.059 -0.006 0.000 0.893 381 L HN 0.544 nan 8.230 nan 0.000 0.432 382 C N -0.602 118.776 119.300 0.131 0.000 2.453 382 C HA -0.229 4.232 4.460 0.001 0.000 0.277 382 C C 2.794 177.986 174.990 0.336 0.000 1.262 382 C CA 0.691 59.845 59.018 0.227 0.000 1.718 382 C CB -1.112 26.765 27.740 0.229 0.000 2.031 382 C HN 0.606 nan 8.230 nan 0.000 0.480 383 F N 0.838 120.913 119.950 0.208 0.000 2.102 383 F HA -0.080 4.448 4.527 0.001 0.000 0.298 383 F C 2.069 177.828 175.800 -0.069 0.000 1.105 383 F CA 1.723 59.748 58.000 0.042 0.000 1.239 383 F CB -0.612 38.276 39.000 -0.186 0.000 0.991 383 F HN 0.183 nan 8.300 nan 0.000 0.474 384 L N -0.160 121.027 121.223 -0.060 0.000 2.042 384 L HA -0.214 4.127 4.340 0.001 0.000 0.210 384 L C 2.620 179.432 176.870 -0.098 0.000 1.076 384 L CA 1.485 56.221 54.840 -0.173 0.000 0.749 384 L CB -0.834 41.192 42.059 -0.055 0.000 0.893 384 L HN 0.320 nan 8.230 nan 0.000 0.432 385 A N -0.333 122.506 122.820 0.031 0.000 1.902 385 A HA -0.233 4.088 4.320 0.001 0.000 0.217 385 A C 2.236 179.917 177.584 0.162 0.000 1.181 385 A CA 1.519 53.667 52.037 0.184 0.000 0.623 385 A CB -0.709 18.460 19.000 0.283 0.000 0.818 385 A HN 0.477 nan 8.150 nan 0.000 0.443 386 L N -2.021 119.127 121.223 -0.124 0.000 1.976 386 L HA -0.204 4.137 4.340 0.001 0.000 0.209 386 L C 2.510 179.129 176.870 -0.418 0.000 1.071 386 L CA 2.325 56.721 54.840 -0.739 0.000 0.746 386 L CB -0.582 41.057 42.059 -0.699 0.000 0.890 386 L HN 0.569 nan 8.230 nan 0.000 0.432 387 Y N 1.371 121.265 120.300 -0.676 0.000 2.096 387 Y HA -0.390 4.161 4.550 0.001 0.000 0.278 387 Y C 2.540 178.312 175.900 -0.213 0.000 1.192 387 Y CA 2.440 60.100 58.100 -0.734 0.000 1.143 387 Y CB -0.294 37.465 38.460 -1.169 0.000 0.963 387 Y HN 0.369 nan 8.280 nan 0.000 0.505 388 N N -0.988 117.705 118.700 -0.013 0.000 2.106 388 N HA -0.141 4.600 4.740 0.001 0.000 0.188 388 N C 1.829 177.391 175.510 0.087 0.000 1.029 388 N CA 1.940 55.021 53.050 0.051 0.000 0.848 388 N CB -0.929 37.625 38.487 0.112 0.000 1.007 388 N HN 0.356 nan 8.380 nan 0.000 0.423 389 T N 2.532 117.170 114.554 0.139 0.000 2.684 389 T HA -0.059 4.292 4.350 0.001 0.000 0.267 389 T C 1.930 176.689 174.700 0.099 0.000 1.036 389 T CA 0.766 62.977 62.100 0.186 0.000 1.148 389 T CB -0.081 68.955 68.868 0.281 0.000 0.863 389 T HN 0.083 nan 8.240 nan 0.000 0.436 390 I N 2.090 122.697 120.570 0.060 0.000 2.142 390 I HA -0.102 4.069 4.170 0.001 0.000 0.240 390 I C 2.133 178.313 176.117 0.104 0.000 1.078 390 I CA 1.288 62.676 61.300 0.147 0.000 1.343 390 I CB -1.562 36.544 38.000 0.176 0.000 1.046 390 I HN 0.198 nan 8.210 nan 0.000 0.405 391 N N 0.888 119.624 118.700 0.060 0.000 2.272 391 N HA -0.206 4.535 4.740 0.001 0.000 0.185 391 N C 1.822 177.372 175.510 0.068 0.000 1.014 391 N CA 0.967 54.027 53.050 0.017 0.000 0.870 391 N CB -0.255 38.176 38.487 -0.093 0.000 0.975 391 N HN 0.383 nan 8.380 nan 0.000 0.433 392 E N 0.445 120.698 120.200 0.089 0.000 2.072 392 E HA 0.055 4.406 4.350 0.001 0.000 0.191 392 E C 1.891 178.580 176.600 0.149 0.000 0.985 392 E CA 0.592 57.068 56.400 0.127 0.000 0.801 392 E CB -0.090 29.683 29.700 0.121 0.000 0.750 392 E HN 0.323 nan 8.360 nan 0.000 0.452 393 I N 0.244 120.887 120.570 0.122 0.000 2.226 393 I HA -0.278 3.893 4.170 0.001 0.000 0.245 393 I C 2.323 178.460 176.117 0.033 0.000 1.100 393 I CA 0.978 62.344 61.300 0.109 0.000 1.374 393 I CB -0.399 37.728 38.000 0.211 0.000 1.057 393 I HN 0.139 nan 8.210 nan 0.000 0.413 394 A N 0.350 123.173 122.820 0.006 0.000 1.908 394 A HA -0.302 4.019 4.320 0.001 0.000 0.218 394 A C 2.308 179.878 177.584 -0.023 0.000 1.181 394 A CA 1.741 53.737 52.037 -0.069 0.000 0.627 394 A CB -1.074 17.881 19.000 -0.074 0.000 0.818 394 A HN 0.539 nan 8.150 nan 0.000 0.445 395 Y N 1.335 121.611 120.300 -0.041 0.000 2.181 395 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 395 Y C 1.785 177.673 175.900 -0.020 0.000 1.146 395 Y CA 1.918 60.003 58.100 -0.024 0.000 1.164 395 Y CB -0.172 38.285 38.460 -0.005 0.000 0.982 395 Y HN 0.381 nan 8.280 nan 0.000 0.515 396 D N -0.253 120.110 120.400 -0.062 0.000 2.144 396 D HA -0.198 4.442 4.640 0.001 0.000 0.199 396 D C 1.665 177.865 176.300 -0.167 0.000 0.984 396 D CA 1.296 55.224 54.000 -0.119 0.000 0.834 396 D CB -0.412 40.393 40.800 0.009 0.000 0.955 396 D HN 0.479 nan 8.370 nan 0.000 0.465 397 N N 0.572 119.188 118.700 -0.140 0.000 2.270 397 N HA -0.053 4.688 4.740 0.001 0.000 0.181 397 N C 1.932 177.347 175.510 -0.158 0.000 1.016 397 N CA 0.100 53.070 53.050 -0.134 0.000 0.870 397 N CB 0.099 38.486 38.487 -0.166 0.000 0.979 397 N HN 0.224 nan 8.380 nan 0.000 0.431 398 L N 1.446 122.542 121.223 -0.211 0.000 2.109 398 L HA -0.087 4.254 4.340 0.001 0.000 0.207 398 L C 2.442 179.161 176.870 -0.251 0.000 1.086 398 L CA 1.150 55.868 54.840 -0.203 0.000 0.760 398 L CB -0.136 41.809 42.059 -0.192 0.000 0.910 398 L HN 0.106 nan 8.230 nan 0.000 0.437 399 K N -0.441 119.719 120.400 -0.401 0.000 2.076 399 K HA -0.154 4.167 4.320 0.001 0.000 0.204 399 K C 1.413 177.902 176.600 -0.185 0.000 1.051 399 K CA 1.528 57.606 56.287 -0.349 0.000 0.949 399 K CB 0.148 32.332 32.500 -0.527 0.000 0.726 399 K HN 0.297 nan 8.250 nan 0.000 0.443 400 D N 0.566 120.872 120.400 -0.157 0.000 2.197 400 D HA -0.041 4.600 4.640 0.001 0.000 0.212 400 D C 1.519 177.773 176.300 -0.076 0.000 0.963 400 D CA 1.101 55.045 54.000 -0.095 0.000 0.864 400 D CB 0.147 40.903 40.800 -0.072 0.000 1.009 400 D HN 0.199 nan 8.370 nan 0.000 0.479 401 K N -0.183 120.171 120.400 -0.076 0.000 2.356 401 K HA 0.217 4.538 4.320 0.001 0.000 0.195 401 K C 0.873 177.441 176.600 -0.054 0.000 1.037 401 K CA 0.469 56.724 56.287 -0.054 0.000 1.014 401 K CB 0.828 33.307 32.500 -0.034 0.000 0.815 401 K HN 0.105 nan 8.250 nan 0.000 0.507 402 G N 2.486 111.241 108.800 -0.075 0.000 2.272 402 G HA2 -0.267 3.694 3.960 0.001 0.000 0.280 402 G HA3 -0.267 3.694 3.960 0.001 0.000 0.280 402 G C -0.519 174.352 174.900 -0.047 0.000 1.067 402 G CA 0.425 45.486 45.100 -0.065 0.000 0.902 402 G HN 0.320 nan 8.290 nan 0.000 0.500 403 E N -0.629 119.539 120.200 -0.052 0.000 2.331 403 E HA 0.450 4.800 4.350 0.001 0.000 0.275 403 E C -0.398 176.171 176.600 -0.053 0.000 0.895 403 E CA -0.870 55.513 56.400 -0.028 0.000 0.753 403 E CB 0.872 30.577 29.700 0.009 0.000 1.216 403 E HN 0.255 nan 8.360 nan 0.000 0.434 404 N N 4.167 122.841 118.700 -0.043 0.000 2.469 404 N HA 0.189 4.929 4.740 0.001 0.000 0.239 404 N C 0.556 176.004 175.510 -0.102 0.000 1.053 404 N CA -0.057 52.943 53.050 -0.083 0.000 0.937 404 N CB 0.380 38.820 38.487 -0.079 0.000 1.163 404 N HN 0.559 nan 8.380 nan 0.000 0.509 405 I N 1.488 121.957 120.570 -0.169 0.000 3.956 405 I HA 0.111 4.282 4.170 0.001 0.000 0.333 405 I C 1.420 177.328 176.117 -0.348 0.000 1.302 405 I CA -0.322 60.869 61.300 -0.182 0.000 1.122 405 I CB 0.151 37.815 38.000 -0.560 0.000 1.013 405 I HN 0.390 nan 8.210 nan 0.000 0.405 406 L N 2.883 123.909 121.223 -0.328 0.000 2.051 406 L HA -0.070 4.270 4.340 0.001 0.000 0.214 406 L C -0.502 176.101 176.870 -0.446 0.000 1.076 406 L CA 2.549 57.178 54.840 -0.350 0.000 0.758 406 L CB -1.512 40.393 42.059 -0.256 0.000 0.890 406 L HN 0.199 nan 8.230 nan 0.000 0.433 407 P HA -0.185 nan 4.420 nan 0.000 0.216 407 P C 1.047 178.059 177.300 -0.481 0.000 1.150 407 P CA 1.648 64.425 63.100 -0.539 0.000 0.837 407 P CB -0.164 31.151 31.700 -0.641 0.000 0.786 408 Y N -1.013 119.166 120.300 -0.201 0.000 2.220 408 Y HA -0.065 4.486 4.550 0.001 0.000 0.291 408 Y C 2.348 178.134 175.900 -0.191 0.000 1.129 408 Y CA 0.715 58.724 58.100 -0.153 0.000 1.161 408 Y CB -1.639 36.783 38.460 -0.064 0.000 0.997 408 Y HN -0.147 nan 8.280 nan 0.000 0.522 409 L N -0.372 120.740 121.223 -0.185 0.000 2.027 409 L HA -0.194 4.147 4.340 0.001 0.000 0.206 409 L C 2.611 179.445 176.870 -0.061 0.000 1.074 409 L CA 2.013 56.710 54.840 -0.237 0.000 0.745 409 L CB -1.317 40.510 42.059 -0.387 0.000 0.898 409 L HN 0.344 nan 8.230 nan 0.000 0.433 410 T N -2.938 111.423 114.554 -0.321 0.000 2.833 410 T HA -0.188 4.163 4.350 0.001 0.000 0.269 410 T C 2.001 176.636 174.700 -0.108 0.000 1.054 410 T CA 0.787 62.617 62.100 -0.450 0.000 1.135 410 T CB -0.170 68.145 68.868 -0.922 0.000 0.869 410 T HN 0.039 nan 8.240 nan 0.000 0.466 411 K N 1.687 122.034 120.400 -0.088 0.000 2.057 411 K HA 0.149 4.469 4.320 0.001 0.000 0.206 411 K C 2.651 179.280 176.600 0.049 0.000 1.050 411 K CA 1.430 57.711 56.287 -0.011 0.000 0.935 411 K CB -1.011 31.471 32.500 -0.030 0.000 0.715 411 K HN 0.480 nan 8.250 nan 0.000 0.439 412 A N -0.140 122.712 122.820 0.053 0.000 1.883 412 A HA -0.196 4.124 4.320 0.001 0.000 0.217 412 A C 2.162 179.739 177.584 -0.011 0.000 1.186 412 A CA 1.664 53.729 52.037 0.048 0.000 0.624 412 A CB -1.091 17.953 19.000 0.074 0.000 0.822 412 A HN 0.492 nan 8.150 nan 0.000 0.444 413 W N -0.512 120.858 121.300 0.116 0.000 2.388 413 W HA 0.014 4.675 4.660 0.001 0.000 0.294 413 W C 2.766 179.365 176.519 0.134 0.000 1.212 413 W CA 1.385 58.817 57.345 0.145 0.000 1.271 413 W CB -0.077 29.486 29.460 0.171 0.000 1.126 413 W HN 0.409 nan 8.180 nan 0.000 0.535 414 A N 0.084 123.084 122.820 0.300 0.000 1.902 414 A HA -0.220 4.101 4.320 0.001 0.000 0.217 414 A C 1.602 179.252 177.584 0.110 0.000 1.181 414 A CA 2.162 54.333 52.037 0.222 0.000 0.623 414 A CB -0.819 18.273 19.000 0.155 0.000 0.818 414 A HN 0.152 nan 8.150 nan 0.000 0.443 415 D N -0.582 119.848 120.400 0.051 0.000 2.117 415 D HA -0.108 4.533 4.640 0.001 0.000 0.198 415 D C 1.811 178.005 176.300 -0.176 0.000 0.982 415 D CA 1.092 55.073 54.000 -0.032 0.000 0.828 415 D CB -0.343 40.487 40.800 0.051 0.000 0.967 415 D HN 0.335 nan 8.370 nan 0.000 0.464 416 L N 0.336 121.429 121.223 -0.217 0.000 2.027 416 L HA -0.126 4.215 4.340 0.001 0.000 0.206 416 L C 2.080 178.652 176.870 -0.496 0.000 1.074 416 L CA 1.569 56.123 54.840 -0.477 0.000 0.745 416 L CB -0.569 41.170 42.059 -0.534 0.000 0.898 416 L HN 0.069 nan 8.230 nan 0.000 0.433 417 C N -0.046 119.213 119.300 -0.067 0.000 2.425 417 C HA -0.111 4.350 4.460 0.001 0.000 0.277 417 C C 2.599 177.511 174.990 -0.129 0.000 1.280 417 C CA 0.865 59.901 59.018 0.030 0.000 1.744 417 C CB -1.402 26.598 27.740 0.433 0.000 1.989 417 C HN 0.614 nan 8.230 nan 0.000 0.491 418 N N 1.012 119.659 118.700 -0.089 0.000 2.244 418 N HA -0.083 4.658 4.740 0.001 0.000 0.183 418 N C 1.863 177.229 175.510 -0.240 0.000 1.016 418 N CA 1.545 54.529 53.050 -0.110 0.000 0.866 418 N CB -0.279 38.158 38.487 -0.083 0.000 0.980 418 N HN 0.557 nan 8.380 nan 0.000 0.430 419 A N 0.679 123.280 122.820 -0.364 0.000 1.898 419 A HA -0.071 4.250 4.320 0.001 0.000 0.216 419 A C 1.883 179.241 177.584 -0.376 0.000 1.181 419 A CA 0.844 52.604 52.037 -0.462 0.000 0.620 419 A CB -0.682 17.951 19.000 -0.611 0.000 0.819 419 A HN 0.098 nan 8.150 nan 0.000 0.442 420 F N -0.526 119.171 119.950 -0.421 0.000 2.134 420 F HA -0.131 4.397 4.527 0.001 0.000 0.299 420 F C 2.079 177.676 175.800 -0.338 0.000 1.097 420 F CA 1.106 58.808 58.000 -0.497 0.000 1.264 420 F CB -0.984 37.394 39.000 -1.036 0.000 1.001 420 F HN 0.234 nan 8.300 nan 0.000 0.479 421 L N 0.156 121.320 121.223 -0.099 0.000 2.046 421 L HA -0.221 4.120 4.340 0.001 0.000 0.208 421 L C 2.466 179.296 176.870 -0.066 0.000 1.077 421 L CA 1.735 56.637 54.840 0.103 0.000 0.747 421 L CB -1.052 41.084 42.059 0.129 0.000 0.896 421 L HN 0.152 nan 8.230 nan 0.000 0.432 422 Q N 0.120 119.765 119.800 -0.257 0.000 2.061 422 Q HA -0.248 4.093 4.340 0.001 0.000 0.204 422 Q C 2.080 177.732 176.000 -0.580 0.000 0.984 422 Q CA 2.291 57.758 55.803 -0.559 0.000 0.846 422 Q CB -0.280 27.984 28.738 -0.790 0.000 0.902 422 Q HN 0.654 nan 8.270 nan 0.000 0.421 423 E N -0.560 119.468 120.200 -0.287 0.000 2.110 423 E HA -0.165 4.186 4.350 0.001 0.000 0.193 423 E C 1.871 178.563 176.600 0.153 0.000 0.988 423 E CA 0.857 57.281 56.400 0.040 0.000 0.804 423 E CB -0.223 29.544 29.700 0.112 0.000 0.745 423 E HN 0.501 nan 8.360 nan 0.000 0.458 424 A N 1.717 124.609 122.820 0.119 0.000 1.902 424 A HA -0.211 4.110 4.320 0.001 0.000 0.217 424 A C 1.963 179.645 177.584 0.164 0.000 1.181 424 A CA 1.414 53.550 52.037 0.166 0.000 0.623 424 A CB -0.215 18.906 19.000 0.202 0.000 0.818 424 A HN 0.045 nan 8.150 nan 0.000 0.443 425 K N -1.438 119.016 120.400 0.092 0.000 2.062 425 K HA -0.138 4.183 4.320 0.001 0.000 0.205 425 K C 1.873 178.631 176.600 0.265 0.000 1.051 425 K CA 1.226 57.590 56.287 0.128 0.000 0.941 425 K CB -0.240 32.263 32.500 0.005 0.000 0.719 425 K HN 0.636 nan 8.250 nan 0.000 0.440 426 W N 1.393 122.771 121.300 0.131 0.000 2.342 426 W HA -0.165 4.496 4.660 0.001 0.000 0.297 426 W C 2.044 178.636 176.519 0.121 0.000 1.213 426 W CA 0.594 58.011 57.345 0.121 0.000 1.251 426 W CB -0.981 28.559 29.460 0.134 0.000 1.136 426 W HN 0.105 nan 8.180 nan 0.000 0.526 427 L N -0.591 120.856 121.223 0.374 0.000 2.005 427 L HA -0.219 4.122 4.340 0.001 0.000 0.207 427 L C 2.488 179.488 176.870 0.217 0.000 1.072 427 L CA 1.942 56.935 54.840 0.255 0.000 0.744 427 L CB -1.575 40.622 42.059 0.230 0.000 0.895 427 L HN -0.020 nan 8.230 nan 0.000 0.433 428 Y N 0.844 121.216 120.300 0.120 0.000 2.070 428 Y HA -0.258 4.293 4.550 0.001 0.000 0.280 428 Y C 2.211 178.160 175.900 0.082 0.000 1.148 428 Y CA 2.221 60.370 58.100 0.082 0.000 1.125 428 Y CB -0.402 38.098 38.460 0.066 0.000 0.975 428 Y HN 0.353 nan 8.280 nan 0.000 0.492 429 N N 1.018 119.810 118.700 0.152 0.000 2.521 429 N HA -0.078 4.663 4.740 0.001 0.000 0.188 429 N C -0.091 175.442 175.510 0.038 0.000 1.146 429 N CA 0.951 54.036 53.050 0.057 0.000 0.893 429 N CB -0.206 38.386 38.487 0.175 0.000 0.975 429 N HN 0.392 nan 8.380 nan 0.000 0.451 430 K N 0.105 120.537 120.400 0.054 0.000 3.035 430 K HA -0.145 4.176 4.320 0.001 0.000 0.262 430 K C -0.285 176.338 176.600 0.038 0.000 1.024 430 K CA 0.251 56.560 56.287 0.036 0.000 0.748 430 K CB -1.931 30.559 32.500 -0.016 0.000 1.247 430 K HN 0.132 nan 8.250 nan 0.000 0.482 431 S N 0.682 116.436 115.700 0.091 0.000 2.598 431 S HA 0.138 4.609 4.470 0.001 0.000 0.256 431 S C 1.005 175.546 174.600 -0.099 0.000 1.350 431 S CA 0.314 58.534 58.200 0.033 0.000 0.984 431 S CB 0.848 64.135 63.200 0.146 0.000 0.930 431 S HN 0.425 nan 8.310 nan 0.000 0.577 432 T N -0.339 114.118 114.554 -0.163 0.000 3.418 432 T HA 0.384 4.734 4.350 0.001 0.000 0.315 432 T C -2.545 171.997 174.700 -0.263 0.000 1.447 432 T CA -1.332 60.646 62.100 -0.203 0.000 1.641 432 T CB 0.230 69.028 68.868 -0.116 0.000 0.904 432 T HN 0.392 nan 8.240 nan 0.000 0.640 433 P HA 0.239 nan 4.420 nan 0.000 0.272 433 P C 0.318 177.480 177.300 -0.230 0.000 1.230 433 P CA -0.096 62.730 63.100 -0.457 0.000 0.788 433 P CB 0.648 31.703 31.700 -1.075 0.000 0.949 434 T N -1.549 112.943 114.554 -0.102 0.000 2.907 434 T HA 0.068 4.419 4.350 0.001 0.000 0.298 434 T C 1.008 175.752 174.700 0.073 0.000 1.017 434 T CA -0.553 61.549 62.100 0.003 0.000 1.118 434 T CB 0.100 68.993 68.868 0.043 0.000 0.948 434 T HN 0.340 nan 8.240 nan 0.000 0.531 435 F N 2.189 122.150 119.950 0.019 0.000 2.141 435 F HA -0.224 4.304 4.527 0.002 0.000 0.300 435 F C 1.850 177.786 175.800 0.228 0.000 1.079 435 F CA 2.125 60.202 58.000 0.128 0.000 1.264 435 F CB -0.381 38.693 39.000 0.123 0.000 1.011 435 F HN 0.715 nan 8.300 nan 0.000 0.487 436 D N -0.097 120.418 120.400 0.192 0.000 2.117 436 D HA -0.174 4.467 4.640 0.001 0.000 0.198 436 D C 1.702 178.049 176.300 0.078 0.000 0.982 436 D CA 1.538 55.625 54.000 0.146 0.000 0.828 436 D CB -0.320 40.600 40.800 0.201 0.000 0.967 436 D HN 0.412 nan 8.370 nan 0.000 0.464 437 D N -0.101 120.344 120.400 0.076 0.000 2.123 437 D HA -0.124 4.517 4.640 0.001 0.000 0.200 437 D C 1.906 178.282 176.300 0.127 0.000 0.976 437 D CA 0.543 54.605 54.000 0.103 0.000 0.831 437 D CB -0.276 40.593 40.800 0.114 0.000 0.974 437 D HN 0.269 nan 8.370 nan 0.000 0.469 438 Y N 0.511 120.743 120.300 -0.114 0.000 2.109 438 Y HA -0.225 4.326 4.550 0.001 0.000 0.285 438 Y C 2.187 178.054 175.900 -0.055 0.000 1.131 438 Y CA 1.347 59.382 58.100 -0.107 0.000 1.121 438 Y CB -0.584 37.728 38.460 -0.247 0.000 0.987 438 Y HN -0.135 nan 8.280 nan 0.000 0.495 439 F N 0.849 120.638 119.950 -0.269 0.000 2.202 439 F HA -0.064 4.464 4.527 0.001 0.000 0.301 439 F C 2.287 177.947 175.800 -0.234 0.000 1.082 439 F CA 1.653 59.441 58.000 -0.354 0.000 1.313 439 F CB -0.846 37.688 39.000 -0.776 0.000 1.024 439 F HN 0.115 nan 8.300 nan 0.000 0.495 440 G N -0.445 108.236 108.800 -0.199 0.000 2.422 440 G HA2 -0.360 3.601 3.960 0.001 0.000 0.218 440 G HA3 -0.360 3.601 3.960 0.001 0.000 0.218 440 G C 1.496 175.887 174.900 -0.847 0.000 1.146 440 G CA 1.027 45.934 45.100 -0.321 0.000 0.769 440 G HN 0.438 nan 8.290 nan 0.000 0.547 441 N N 0.544 118.893 118.700 -0.585 0.000 2.251 441 N HA 0.115 4.856 4.740 0.001 0.000 0.181 441 N C 2.411 177.463 175.510 -0.762 0.000 1.019 441 N CA 1.272 53.940 53.050 -0.638 0.000 0.862 441 N CB -0.300 37.961 38.487 -0.376 0.000 0.992 441 N HN 0.183 nan 8.380 nan 0.000 0.429 442 A N 1.082 123.457 122.820 -0.743 0.000 1.940 442 A HA -0.147 4.174 4.320 0.001 0.000 0.219 442 A C 1.909 179.166 177.584 -0.545 0.000 1.176 442 A CA 1.597 53.255 52.037 -0.631 0.000 0.631 442 A CB -1.227 17.431 19.000 -0.570 0.000 0.814 442 A HN 0.762 nan 8.150 nan 0.000 0.446 443 W N -0.542 120.352 121.300 -0.677 0.000 2.800 443 W HA 0.107 4.768 4.660 0.001 0.000 0.249 443 W C 1.115 177.378 176.519 -0.427 0.000 1.294 443 W CA 0.788 57.809 57.345 -0.541 0.000 1.402 443 W CB -0.368 28.773 29.460 -0.533 0.000 1.126 443 W HN 0.233 nan 8.180 nan 0.000 0.652 444 K N 1.322 121.214 120.400 -0.847 0.000 2.166 444 K HA -0.073 4.248 4.320 0.001 0.000 0.201 444 K C 2.330 178.563 176.600 -0.611 0.000 1.052 444 K CA 1.471 57.280 56.287 -0.796 0.000 0.969 444 K CB -0.321 31.535 32.500 -1.072 0.000 0.761 444 K HN 0.052 nan 8.250 nan 0.000 0.459 445 S N 1.054 116.368 115.700 -0.643 0.000 2.603 445 S HA -0.079 4.392 4.470 0.001 0.000 0.229 445 S C 1.916 176.241 174.600 -0.460 0.000 0.972 445 S CA 1.113 58.891 58.200 -0.704 0.000 0.935 445 S CB -0.246 62.639 63.200 -0.525 0.000 0.769 445 S HN 0.249 nan 8.310 nan 0.000 0.536 446 S N 1.702 117.171 115.700 -0.385 0.000 2.428 446 S HA -0.032 4.439 4.470 0.001 0.000 0.230 446 S C 1.397 175.884 174.600 -0.188 0.000 1.014 446 S CA 1.074 59.021 58.200 -0.421 0.000 0.957 446 S CB -0.779 62.045 63.200 -0.627 0.000 0.784 446 S HN 1.766 nan 8.310 nan 0.000 0.499 447 S N -1.565 114.048 115.700 -0.144 0.000 2.659 447 S HA -0.162 4.309 4.470 0.001 0.000 0.264 447 S C 1.465 176.172 174.600 0.178 0.000 1.310 447 S CA 1.242 59.411 58.200 -0.051 0.000 1.262 447 S CB -2.612 60.590 63.200 0.004 0.000 1.548 447 S HN 1.220 nan 8.310 nan 0.000 0.657 448 G N 3.155 112.153 108.800 0.330 0.000 2.459 448 G HA2 -0.057 3.904 3.960 0.001 0.000 0.217 448 G HA3 -0.057 3.904 3.960 0.001 0.000 0.217 448 G C -0.059 174.992 174.900 0.251 0.000 1.183 448 G CA 1.405 46.778 45.100 0.454 0.000 0.776 448 G HN 0.664 nan 8.290 nan 0.000 0.552 449 P HA -0.048 nan 4.420 nan 0.000 0.217 449 P C 2.195 179.621 177.300 0.211 0.000 1.151 449 P CA 0.654 63.887 63.100 0.220 0.000 0.828 449 P CB -0.065 31.808 31.700 0.288 0.000 0.788 450 L N -0.296 121.003 121.223 0.127 0.000 2.046 450 L HA -0.201 4.140 4.340 0.001 0.000 0.208 450 L C 2.767 179.781 176.870 0.239 0.000 1.077 450 L CA 1.765 56.663 54.840 0.098 0.000 0.747 450 L CB -0.716 41.223 42.059 -0.200 0.000 0.896 450 L HN -0.114 nan 8.230 nan 0.000 0.432 451 Q N -0.343 119.579 119.800 0.204 0.000 2.050 451 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 451 Q C 2.302 178.472 176.000 0.283 0.000 0.980 451 Q CA 1.923 57.880 55.803 0.257 0.000 0.840 451 Q CB -0.250 28.650 28.738 0.269 0.000 0.898 451 Q HN 0.550 nan 8.270 nan 0.000 0.424 452 L N 0.223 121.584 121.223 0.230 0.000 2.131 452 L HA -0.185 4.156 4.340 0.001 0.000 0.210 452 L C 2.275 179.310 176.870 0.275 0.000 1.092 452 L CA 0.810 55.788 54.840 0.231 0.000 0.759 452 L CB -0.323 41.816 42.059 0.135 0.000 0.903 452 L HN 0.281 nan 8.230 nan 0.000 0.435 453 I N -1.187 119.514 120.570 0.219 0.000 2.315 453 I HA -0.297 3.874 4.170 0.001 0.000 0.248 453 I C 2.278 178.507 176.117 0.188 0.000 1.117 453 I CA 1.485 62.853 61.300 0.113 0.000 1.404 453 I CB -0.126 37.940 38.000 0.111 0.000 1.071 453 I HN 0.116 nan 8.210 nan 0.000 0.419 454 F N 0.592 120.668 119.950 0.210 0.000 2.206 454 F HA -0.107 4.420 4.527 0.001 0.000 0.298 454 F C 2.561 178.485 175.800 0.206 0.000 1.090 454 F CA 1.253 59.412 58.000 0.265 0.000 1.323 454 F CB -0.369 38.756 39.000 0.208 0.000 1.028 454 F HN -0.026 nan 8.300 nan 0.000 0.492 455 A N -0.828 122.185 122.820 0.323 0.000 1.972 455 A HA -0.265 4.056 4.320 0.001 0.000 0.219 455 A C 1.971 179.578 177.584 0.039 0.000 1.169 455 A CA 1.471 53.614 52.037 0.177 0.000 0.635 455 A CB -1.419 17.683 19.000 0.170 0.000 0.810 455 A HN 0.527 nan 8.150 nan 0.000 0.446 456 Y N -0.018 120.142 120.300 -0.233 0.000 2.040 456 Y HA -0.303 4.248 4.550 0.001 0.000 0.275 456 Y C 1.839 177.378 175.900 -0.601 0.000 1.171 456 Y CA 2.317 59.934 58.100 -0.806 0.000 1.123 456 Y CB -0.695 37.064 38.460 -1.169 0.000 0.963 456 Y HN 0.289 nan 8.280 nan 0.000 0.493 457 F N -0.259 119.547 119.950 -0.241 0.000 2.408 457 F HA -0.062 4.466 4.527 0.001 0.000 0.300 457 F C 2.357 178.031 175.800 -0.210 0.000 1.090 457 F CA 1.010 58.854 58.000 -0.261 0.000 1.427 457 F CB -0.771 38.156 39.000 -0.121 0.000 1.070 457 F HN 0.194 nan 8.300 nan 0.000 0.549 458 A N -1.186 121.628 122.820 -0.011 0.000 2.267 458 A HA 0.268 4.589 4.320 0.001 0.000 0.213 458 A C 1.935 179.468 177.584 -0.085 0.000 1.192 458 A CA 0.511 52.546 52.037 -0.003 0.000 0.851 458 A CB -0.313 18.721 19.000 0.057 0.000 0.881 458 A HN 0.163 nan 8.150 nan 0.000 0.494 459 V N -0.216 119.567 119.914 -0.219 0.000 2.908 459 V HA 0.037 4.158 4.120 0.001 0.000 0.240 459 V C 1.088 177.066 176.094 -0.194 0.000 1.117 459 V CA 1.068 63.217 62.300 -0.252 0.000 1.133 459 V CB 0.576 32.212 31.823 -0.311 0.000 0.857 459 V HN 0.417 nan 8.190 nan 0.000 0.478 460 V N -0.096 119.577 119.914 -0.402 0.000 2.732 460 V HA 0.312 4.432 4.120 0.001 0.000 0.297 460 V C 0.883 176.829 176.094 -0.246 0.000 1.060 460 V CA -0.247 61.832 62.300 -0.369 0.000 1.038 460 V CB 1.405 32.819 31.823 -0.681 0.000 1.003 460 V HN 0.440 nan 8.190 nan 0.000 0.481 461 Q N 2.258 121.969 119.800 -0.148 0.000 2.250 461 Q HA 0.257 4.598 4.340 0.001 0.000 0.200 461 Q C 0.062 176.002 176.000 -0.100 0.000 0.941 461 Q CA 0.940 56.684 55.803 -0.098 0.000 0.872 461 Q CB -0.155 28.546 28.738 -0.063 0.000 0.965 461 Q HN 0.856 nan 8.270 nan 0.000 0.480 462 N N 1.509 120.140 118.700 -0.116 0.000 2.531 462 N HA 0.309 5.050 4.740 0.001 0.000 0.268 462 N C -0.545 174.901 175.510 -0.106 0.000 1.023 462 N CA -0.407 52.590 53.050 -0.088 0.000 0.896 462 N CB 1.855 40.304 38.487 -0.064 0.000 1.233 462 N HN 0.237 nan 8.380 nan 0.000 0.512 463 I N -1.260 119.266 120.570 -0.074 0.000 2.779 463 I HA 0.340 4.511 4.170 0.001 0.000 0.285 463 I C -0.131 175.985 176.117 -0.003 0.000 1.134 463 I CA -0.159 61.128 61.300 -0.022 0.000 1.398 463 I CB 0.575 38.636 38.000 0.103 0.000 1.404 463 I HN 0.060 nan 8.210 nan 0.000 0.587 464 K N 3.870 124.272 120.400 0.004 0.000 2.426 464 K HA 0.253 4.573 4.320 0.001 0.000 0.254 464 K C 0.288 176.833 176.600 -0.091 0.000 0.936 464 K CA -0.882 55.374 56.287 -0.052 0.000 0.801 464 K CB 2.475 34.925 32.500 -0.084 0.000 1.139 464 K HN 0.662 nan 8.250 nan 0.000 0.424 465 K N 1.617 121.974 120.400 -0.072 0.000 2.127 465 K HA -0.303 4.018 4.320 0.001 0.000 0.208 465 K C 1.507 178.033 176.600 -0.124 0.000 1.047 465 K CA 1.872 58.110 56.287 -0.082 0.000 0.927 465 K CB 0.077 32.554 32.500 -0.037 0.000 0.716 465 K HN 0.646 nan 8.250 nan 0.000 0.450 466 E N 1.139 121.258 120.200 -0.134 0.000 2.051 466 E HA -0.204 4.147 4.350 0.001 0.000 0.192 466 E C 1.867 178.318 176.600 -0.248 0.000 0.991 466 E CA 1.361 57.663 56.400 -0.163 0.000 0.799 466 E CB 0.080 29.683 29.700 -0.162 0.000 0.748 466 E HN 0.502 nan 8.360 nan 0.000 0.449 467 E N 0.445 120.443 120.200 -0.337 0.000 2.031 467 E HA -0.191 4.160 4.350 0.001 0.000 0.193 467 E C 2.316 178.691 176.600 -0.376 0.000 0.994 467 E CA 1.256 57.355 56.400 -0.501 0.000 0.800 467 E CB -0.178 29.260 29.700 -0.437 0.000 0.752 467 E HN 0.376 nan 8.360 nan 0.000 0.447 468 I N 1.292 121.603 120.570 -0.431 0.000 2.208 468 I HA -0.282 3.888 4.170 0.001 0.000 0.245 468 I C 2.262 178.179 176.117 -0.333 0.000 1.097 468 I CA 1.336 62.324 61.300 -0.521 0.000 1.363 468 I CB -0.287 37.343 38.000 -0.616 0.000 1.051 468 I HN 0.090 nan 8.210 nan 0.000 0.413 469 E N 0.613 120.683 120.200 -0.216 0.000 2.204 469 E HA -0.188 4.163 4.350 0.001 0.000 0.195 469 E C 1.911 178.462 176.600 -0.081 0.000 0.990 469 E CA 0.880 57.211 56.400 -0.116 0.000 0.821 469 E CB -0.002 29.653 29.700 -0.075 0.000 0.750 469 E HN 0.454 nan 8.360 nan 0.000 0.477 470 N N -0.004 118.665 118.700 -0.052 0.000 2.251 470 N HA -0.041 4.699 4.740 0.001 0.000 0.181 470 N C 1.878 177.435 175.510 0.079 0.000 1.019 470 N CA 0.593 53.699 53.050 0.093 0.000 0.862 470 N CB 0.046 38.693 38.487 0.266 0.000 0.992 470 N HN 0.163 nan 8.380 nan 0.000 0.429 471 L N 1.321 122.534 121.223 -0.018 0.000 2.042 471 L HA -0.185 4.156 4.340 0.001 0.000 0.210 471 L C 2.540 179.255 176.870 -0.259 0.000 1.076 471 L CA 1.216 55.973 54.840 -0.138 0.000 0.749 471 L CB -0.404 41.455 42.059 -0.332 0.000 0.893 471 L HN 0.218 nan 8.230 nan 0.000 0.432 472 Q N 0.158 119.799 119.800 -0.266 0.000 2.226 472 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 472 Q C 1.707 177.424 176.000 -0.470 0.000 0.975 472 Q CA 1.260 56.861 55.803 -0.338 0.000 0.866 472 Q CB 0.235 28.885 28.738 -0.147 0.000 0.915 472 Q HN 0.391 nan 8.270 nan 0.000 0.440 473 K N -0.834 119.406 120.400 -0.267 0.000 2.404 473 K HA 0.000 4.321 4.320 0.001 0.000 0.194 473 K C -0.952 175.642 176.600 -0.010 0.000 1.023 473 K CA -0.071 56.135 56.287 -0.135 0.000 1.094 473 K CB 0.629 33.120 32.500 -0.015 0.000 0.841 473 K HN 0.137 nan 8.250 nan 0.000 0.523 474 Y N 0.062 120.425 120.300 0.104 0.000 3.233 474 Y HA -0.273 4.278 4.550 0.001 0.000 0.201 474 Y C 0.374 176.338 175.900 0.107 0.000 1.486 474 Y CA -0.122 58.059 58.100 0.135 0.000 1.326 474 Y CB -2.940 35.678 38.460 0.263 0.000 1.460 474 Y HN 0.336 nan 8.280 nan 0.000 0.512 475 H N 2.024 121.146 119.070 0.087 0.000 3.016 475 H HA -0.046 4.511 4.556 0.001 0.000 0.345 475 H C 1.196 176.501 175.328 -0.039 0.000 1.066 475 H CA 1.413 57.494 56.048 0.055 0.000 1.390 475 H CB 0.857 30.698 29.762 0.133 0.000 1.344 475 H HN 0.460 nan 8.280 nan 0.000 0.605 476 D N 4.668 125.113 120.400 0.074 0.000 2.239 476 D HA -0.210 4.431 4.640 0.001 0.000 0.202 476 D C 2.226 178.519 176.300 -0.012 0.000 0.993 476 D CA 1.076 55.064 54.000 -0.021 0.000 0.874 476 D CB -0.034 40.722 40.800 -0.073 0.000 0.922 476 D HN 0.664 nan 8.370 nan 0.000 0.464 477 I N 1.011 121.678 120.570 0.160 0.000 2.248 477 I HA -0.260 3.911 4.170 0.001 0.000 0.248 477 I C 2.140 178.064 176.117 -0.321 0.000 1.107 477 I CA 1.321 62.477 61.300 -0.239 0.000 1.373 477 I CB 0.096 37.709 38.000 -0.644 0.000 1.055 477 I HN 0.013 nan 8.210 nan 0.000 0.418 478 I N -2.810 117.622 120.570 -0.230 0.000 4.035 478 I HA 0.070 4.240 4.170 0.001 0.000 0.321 478 I C 2.228 178.225 176.117 -0.200 0.000 1.289 478 I CA 0.643 61.834 61.300 -0.182 0.000 1.236 478 I CB -0.188 37.785 38.000 -0.044 0.000 1.076 478 I HN 0.120 nan 8.210 nan 0.000 0.418 479 S N 1.658 117.169 115.700 -0.315 0.000 2.377 479 S HA -0.011 4.460 4.470 0.001 0.000 0.223 479 S C 2.124 176.075 174.600 -1.082 0.000 1.030 479 S CA 0.366 58.119 58.200 -0.745 0.000 0.970 479 S CB -0.312 62.367 63.200 -0.869 0.000 0.830 479 S HN 0.306 nan 8.310 nan 0.000 0.473 480 R N 2.866 122.877 120.500 -0.815 0.000 2.080 480 R HA 0.064 4.405 4.340 0.001 0.000 0.236 480 R C -0.469 175.544 176.300 -0.478 0.000 1.137 480 R CA 1.816 57.487 56.100 -0.715 0.000 0.943 480 R CB -1.833 28.223 30.300 -0.407 0.000 0.846 480 R HN 0.473 nan 8.270 nan 0.000 0.431 481 P HA -0.030 nan 4.420 nan 0.000 0.218 481 P C 0.727 177.963 177.300 -0.108 0.000 1.149 481 P CA 1.372 64.296 63.100 -0.294 0.000 0.817 481 P CB 0.070 31.591 31.700 -0.299 0.000 0.785 482 S N -0.858 114.782 115.700 -0.101 0.000 2.402 482 S HA -0.146 4.325 4.470 0.001 0.000 0.229 482 S C 1.812 176.515 174.600 0.172 0.000 1.021 482 S CA 0.843 59.119 58.200 0.127 0.000 0.974 482 S CB -1.161 62.127 63.200 0.145 0.000 0.800 482 S HN 0.438 nan 8.310 nan 0.000 0.484 483 H N 0.594 119.589 119.070 -0.125 0.000 2.353 483 H HA -0.008 4.549 4.556 0.001 0.000 0.300 483 H C 2.018 177.454 175.328 0.179 0.000 1.090 483 H CA 1.356 57.415 56.048 0.019 0.000 1.327 483 H CB -0.123 29.641 29.762 0.003 0.000 1.383 483 H HN 0.308 nan 8.280 nan 0.000 0.508 484 I N 0.306 120.997 120.570 0.201 0.000 2.179 484 I HA -0.280 3.891 4.170 0.001 0.000 0.242 484 I C 2.377 178.618 176.117 0.208 0.000 1.088 484 I CA 0.668 62.048 61.300 0.134 0.000 1.357 484 I CB -0.237 37.739 38.000 -0.041 0.000 1.051 484 I HN 0.213 nan 8.210 nan 0.000 0.409 485 F N 2.430 122.416 119.950 0.061 0.000 2.065 485 F HA -0.293 4.235 4.527 0.001 0.000 0.298 485 F C 2.667 178.507 175.800 0.068 0.000 1.112 485 F CA 2.018 60.096 58.000 0.129 0.000 1.212 485 F CB -0.732 38.391 39.000 0.205 0.000 0.975 485 F HN -0.047 nan 8.300 nan 0.000 0.476 486 R N 0.832 121.375 120.500 0.073 0.000 2.066 486 R HA -0.108 4.233 4.340 0.001 0.000 0.232 486 R C 2.391 178.743 176.300 0.087 0.000 1.131 486 R CA 1.919 57.982 56.100 -0.061 0.000 0.955 486 R CB -1.183 29.104 30.300 -0.021 0.000 0.851 486 R HN 0.467 nan 8.270 nan 0.000 0.432 487 L N -0.415 120.949 121.223 0.236 0.000 2.042 487 L HA -0.277 4.064 4.340 0.001 0.000 0.210 487 L C 2.557 179.476 176.870 0.081 0.000 1.076 487 L CA 1.640 56.600 54.840 0.199 0.000 0.749 487 L CB -0.528 41.651 42.059 0.200 0.000 0.893 487 L HN 0.321 nan 8.230 nan 0.000 0.432 488 C N -0.749 118.575 119.300 0.041 0.000 2.446 488 C HA -0.131 4.330 4.460 0.001 0.000 0.277 488 C C 2.698 177.557 174.990 -0.218 0.000 1.275 488 C CA 0.778 59.790 59.018 -0.009 0.000 1.727 488 C CB -1.158 26.608 27.740 0.044 0.000 2.010 488 C HN 0.604 nan 8.230 nan 0.000 0.486 489 N N 1.584 119.971 118.700 -0.523 0.000 2.025 489 N HA -0.150 4.591 4.740 0.001 0.000 0.194 489 N C 1.143 176.527 175.510 -0.210 0.000 1.044 489 N CA 2.067 54.649 53.050 -0.779 0.000 0.851 489 N CB -0.567 37.571 38.487 -0.581 0.000 1.036 489 N HN 0.425 nan 8.380 nan 0.000 0.422 490 D N 0.497 120.854 120.400 -0.071 0.000 2.117 490 D HA -0.076 4.565 4.640 0.001 0.000 0.197 490 D C 2.119 178.452 176.300 0.054 0.000 0.987 490 D CA 0.499 54.525 54.000 0.043 0.000 0.829 490 D CB -0.327 40.547 40.800 0.124 0.000 0.961 490 D HN 0.289 nan 8.370 nan 0.000 0.460 491 L N 0.309 121.561 121.223 0.048 0.000 2.083 491 L HA -0.144 4.196 4.340 0.001 0.000 0.209 491 L C 2.277 179.196 176.870 0.082 0.000 1.083 491 L CA 1.086 55.965 54.840 0.065 0.000 0.752 491 L CB -0.332 41.771 42.059 0.074 0.000 0.899 491 L HN 0.018 nan 8.230 nan 0.000 0.433 492 A N -0.798 122.081 122.820 0.098 0.000 2.121 492 A HA -0.119 4.201 4.320 0.001 0.000 0.218 492 A C 2.109 179.766 177.584 0.122 0.000 1.154 492 A CA 1.627 53.751 52.037 0.145 0.000 0.679 492 A CB -0.282 18.880 19.000 0.269 0.000 0.795 492 A HN 0.523 nan 8.150 nan 0.000 0.458 493 S N -2.471 113.289 115.700 0.100 0.000 2.733 493 S HA 0.559 5.030 4.470 0.001 0.000 0.247 493 S C 1.547 176.191 174.600 0.073 0.000 1.043 493 S CA 0.609 58.863 58.200 0.091 0.000 1.066 493 S CB 0.002 63.262 63.200 0.101 0.000 1.045 493 S HN 0.642 nan 8.310 nan 0.000 0.586 494 A N 3.006 125.866 122.820 0.068 0.000 1.834 494 A HA -0.037 4.284 4.320 0.001 0.000 0.216 494 A C 2.370 179.983 177.584 0.048 0.000 1.203 494 A CA 2.182 54.253 52.037 0.057 0.000 0.621 494 A CB -1.568 17.464 19.000 0.054 0.000 0.841 494 A HN 0.520 nan 8.150 nan 0.000 0.446 495 S N -0.032 115.696 115.700 0.046 0.000 2.378 495 S HA -0.232 4.239 4.470 0.001 0.000 0.229 495 S C 2.302 176.925 174.600 0.038 0.000 1.052 495 S CA 1.808 60.031 58.200 0.039 0.000 1.084 495 S CB -0.788 62.436 63.200 0.040 0.000 0.950 495 S HN 0.905 nan 8.310 nan 0.000 0.440 496 A N 1.352 124.198 122.820 0.044 0.000 1.873 496 A HA -0.215 4.106 4.320 0.001 0.000 0.218 496 A C 2.073 179.681 177.584 0.041 0.000 1.193 496 A CA 1.843 53.906 52.037 0.043 0.000 0.629 496 A CB -0.692 18.338 19.000 0.051 0.000 0.826 496 A HN 0.600 nan 8.150 nan 0.000 0.447 497 E N -0.476 119.751 120.200 0.045 0.000 2.072 497 E HA -0.120 4.231 4.350 0.001 0.000 0.191 497 E C 1.955 178.574 176.600 0.031 0.000 0.985 497 E CA 1.135 57.560 56.400 0.042 0.000 0.801 497 E CB -0.287 29.443 29.700 0.049 0.000 0.750 497 E HN 0.703 nan 8.360 nan 0.000 0.452 498 I N 1.225 121.811 120.570 0.027 0.000 2.226 498 I HA -0.278 3.893 4.170 0.001 0.000 0.245 498 I C 2.583 178.710 176.117 0.017 0.000 1.100 498 I CA 0.964 62.275 61.300 0.018 0.000 1.374 498 I CB -0.398 37.613 38.000 0.019 0.000 1.057 498 I HN 0.084 nan 8.210 nan 0.000 0.413 499 A N 1.010 123.842 122.820 0.021 0.000 1.933 499 A HA -0.188 4.133 4.320 0.001 0.000 0.218 499 A C 2.222 179.817 177.584 0.017 0.000 1.175 499 A CA 1.455 53.503 52.037 0.019 0.000 0.628 499 A CB -0.548 18.465 19.000 0.022 0.000 0.814 499 A HN 0.363 nan 8.150 nan 0.000 0.444 500 R N -0.829 119.684 120.500 0.021 0.000 2.319 500 R HA 0.267 4.608 4.340 0.001 0.000 0.204 500 R C 0.819 177.129 176.300 0.017 0.000 0.954 500 R CA 0.479 56.592 56.100 0.021 0.000 1.066 500 R CB -0.285 30.031 30.300 0.027 0.000 0.991 500 R HN 0.646 nan 8.270 nan 0.000 0.486 501 G N 1.770 110.578 108.800 0.013 0.000 2.422 501 G HA2 -0.274 3.687 3.960 0.001 0.000 0.290 501 G HA3 -0.274 3.687 3.960 0.001 0.000 0.290 501 G C -0.761 174.144 174.900 0.008 0.000 1.059 501 G CA -0.205 44.899 45.100 0.007 0.000 1.242 501 G HN 0.388 nan 8.290 nan 0.000 0.520 502 E N -0.355 119.850 120.200 0.007 0.000 2.290 502 E HA 0.528 4.879 4.350 0.001 0.000 0.274 502 E C 0.755 177.348 176.600 -0.012 0.000 0.889 502 E CA -0.313 56.093 56.400 0.008 0.000 0.760 502 E CB 1.358 31.074 29.700 0.027 0.000 1.206 502 E HN 0.328 nan 8.360 nan 0.000 0.419 503 T N -1.689 112.846 114.554 -0.031 0.000 3.134 503 T HA 0.268 4.618 4.350 0.001 0.000 0.260 503 T C 0.965 175.571 174.700 -0.156 0.000 1.027 503 T CA -0.228 61.819 62.100 -0.088 0.000 0.913 503 T CB 0.353 69.160 68.868 -0.100 0.000 1.046 503 T HN 0.350 nan 8.240 nan 0.000 0.553 504 A N 2.022 124.809 122.820 -0.056 0.000 2.840 504 A HA 0.361 4.681 4.320 0.001 0.000 0.269 504 A C 0.530 178.128 177.584 0.023 0.000 1.439 504 A CA -0.547 51.497 52.037 0.012 0.000 1.083 504 A CB -0.565 18.528 19.000 0.156 0.000 1.019 504 A HN 0.435 nan 8.150 nan 0.000 0.607 505 N N -1.091 117.517 118.700 -0.153 0.000 2.225 505 N HA 0.213 4.954 4.740 0.001 0.000 0.298 505 N C 0.561 176.016 175.510 -0.091 0.000 1.076 505 N CA -0.210 52.830 53.050 -0.016 0.000 0.792 505 N CB 1.982 40.486 38.487 0.028 0.000 1.498 505 N HN -0.024 nan 8.380 nan 0.000 0.474 506 S N 0.975 116.781 115.700 0.176 0.000 2.399 506 S HA -0.083 4.387 4.470 0.001 0.000 0.231 506 S C 1.805 176.582 174.600 0.295 0.000 1.022 506 S CA 1.015 59.413 58.200 0.331 0.000 0.983 506 S CB 0.071 63.569 63.200 0.497 0.000 0.803 506 S HN 0.471 nan 8.310 nan 0.000 0.480 507 V N 2.171 122.177 119.914 0.154 0.000 2.255 507 V HA -0.142 3.979 4.120 0.001 0.000 0.243 507 V C 2.683 178.843 176.094 0.110 0.000 1.038 507 V CA 1.887 64.250 62.300 0.105 0.000 1.008 507 V CB -1.218 30.639 31.823 0.057 0.000 0.645 507 V HN 0.679 nan 8.190 nan 0.000 0.449 508 S N -0.763 114.965 115.700 0.047 0.000 2.382 508 S HA -0.264 4.206 4.470 0.001 0.000 0.228 508 S C 1.964 176.562 174.600 -0.003 0.000 1.027 508 S CA 1.682 59.889 58.200 0.011 0.000 0.991 508 S CB -1.262 61.923 63.200 -0.025 0.000 0.823 508 S HN 0.532 nan 8.310 nan 0.000 0.469 509 C N 0.285 119.569 119.300 -0.027 0.000 2.466 509 C HA 0.195 4.656 4.460 0.001 0.000 0.283 509 C C 2.080 177.175 174.990 0.175 0.000 1.472 509 C CA 0.445 59.434 59.018 -0.049 0.000 1.765 509 C CB -1.905 25.643 27.740 -0.319 0.000 1.724 509 C HN 0.732 nan 8.230 nan 0.000 0.560 510 Y N 1.239 121.576 120.300 0.062 0.000 2.422 510 Y HA 0.199 4.750 4.550 0.001 0.000 0.291 510 Y C 2.110 177.938 175.900 -0.120 0.000 1.144 510 Y CA 1.248 59.288 58.100 -0.100 0.000 1.208 510 Y CB -0.396 37.859 38.460 -0.341 0.000 1.195 510 Y HN 0.311 nan 8.280 nan 0.000 0.535 511 M N -0.163 119.455 119.600 0.031 0.000 2.747 511 M HA 0.146 4.626 4.480 0.001 0.000 0.221 511 M C 1.379 177.629 176.300 -0.083 0.000 1.107 511 M CA 1.177 56.454 55.300 -0.038 0.000 1.031 511 M CB -0.130 32.490 32.600 0.033 0.000 1.727 511 M HN 0.218 nan 8.290 nan 0.000 0.517 512 R N 0.736 121.172 120.500 -0.107 0.000 2.243 512 R HA 0.089 4.430 4.340 0.001 0.000 0.193 512 R C 1.471 177.699 176.300 -0.119 0.000 0.933 512 R CA 1.122 57.167 56.100 -0.092 0.000 1.105 512 R CB 0.100 30.355 30.300 -0.074 0.000 1.169 512 R HN 0.476 nan 8.270 nan 0.000 0.599 513 T N -0.336 114.125 114.554 -0.155 0.000 3.085 513 T HA 0.149 4.500 4.350 0.001 0.000 0.263 513 T C 1.374 175.937 174.700 -0.228 0.000 1.127 513 T CA 0.382 62.389 62.100 -0.155 0.000 1.103 513 T CB 0.231 69.035 68.868 -0.107 0.000 0.921 513 T HN -0.011 nan 8.240 nan 0.000 0.510 514 K N 0.519 120.730 120.400 -0.315 0.000 2.399 514 K HA 0.327 4.648 4.320 0.001 0.000 0.196 514 K C 1.485 177.979 176.600 -0.178 0.000 1.103 514 K CA 0.607 56.710 56.287 -0.307 0.000 0.986 514 K CB 0.278 32.476 32.500 -0.504 0.000 0.952 514 K HN 0.430 nan 8.250 nan 0.000 0.541 515 G N 3.285 111.998 108.800 -0.146 0.000 2.246 515 G HA2 -0.248 3.713 3.960 0.001 0.000 0.273 515 G HA3 -0.248 3.713 3.960 0.001 0.000 0.273 515 G C 0.233 175.090 174.900 -0.070 0.000 1.055 515 G CA 0.835 45.881 45.100 -0.089 0.000 0.851 515 G HN 0.419 nan 8.290 nan 0.000 0.500 516 I N -2.665 117.862 120.570 -0.072 0.000 3.217 516 I HA 0.890 5.060 4.170 0.001 0.000 0.308 516 I C 0.802 176.911 176.117 -0.013 0.000 1.091 516 I CA -0.657 60.622 61.300 -0.036 0.000 1.013 516 I CB 1.699 39.684 38.000 -0.024 0.000 1.250 516 I HN 0.304 nan 8.210 nan 0.000 0.496 517 S N 0.175 115.875 115.700 0.001 0.000 2.634 517 S HA 0.165 4.635 4.470 0.001 0.000 0.261 517 S C 0.795 175.407 174.600 0.020 0.000 1.271 517 S CA -0.168 58.036 58.200 0.007 0.000 0.985 517 S CB 1.325 64.529 63.200 0.007 0.000 0.968 517 S HN 0.864 nan 8.310 nan 0.000 0.568 518 E N 0.290 120.501 120.200 0.019 0.000 2.106 518 E HA -0.172 4.178 4.350 0.001 0.000 0.192 518 E C 1.549 178.163 176.600 0.024 0.000 0.984 518 E CA 1.204 57.619 56.400 0.025 0.000 0.806 518 E CB -0.151 29.562 29.700 0.021 0.000 0.750 518 E HN 0.737 nan 8.360 nan 0.000 0.458 519 E N 0.572 120.783 120.200 0.019 0.000 2.058 519 E HA -0.187 4.164 4.350 0.001 0.000 0.194 519 E C 1.957 178.567 176.600 0.016 0.000 0.997 519 E CA 0.826 57.236 56.400 0.017 0.000 0.801 519 E CB -0.201 29.508 29.700 0.014 0.000 0.746 519 E HN 0.216 nan 8.360 nan 0.000 0.450 520 L N -0.020 121.216 121.223 0.022 0.000 2.093 520 L HA -0.026 4.315 4.340 0.001 0.000 0.208 520 L C 2.169 179.067 176.870 0.046 0.000 1.085 520 L CA 1.585 56.443 54.840 0.030 0.000 0.755 520 L CB -1.371 40.708 42.059 0.033 0.000 0.904 520 L HN 0.141 nan 8.230 nan 0.000 0.435 521 A N -0.619 122.241 122.820 0.067 0.000 1.858 521 A HA -0.189 4.132 4.320 0.001 0.000 0.216 521 A C 2.359 179.901 177.584 -0.070 0.000 1.190 521 A CA 2.245 54.337 52.037 0.092 0.000 0.617 521 A CB -0.857 18.225 19.000 0.135 0.000 0.827 521 A HN 0.370 nan 8.150 nan 0.000 0.443 522 T N -0.475 114.062 114.554 -0.029 0.000 2.746 522 T HA -0.159 4.192 4.350 0.001 0.000 0.267 522 T C 1.878 176.545 174.700 -0.054 0.000 1.039 522 T CA 1.557 63.634 62.100 -0.038 0.000 1.142 522 T CB -0.228 68.641 68.868 0.002 0.000 0.866 522 T HN 0.703 nan 8.240 nan 0.000 0.444 523 E N 0.789 120.967 120.200 -0.037 0.000 2.031 523 E HA -0.140 4.211 4.350 0.001 0.000 0.193 523 E C 2.311 178.868 176.600 -0.072 0.000 0.994 523 E CA 1.450 57.832 56.400 -0.030 0.000 0.800 523 E CB -0.117 29.578 29.700 -0.009 0.000 0.752 523 E HN 0.376 nan 8.360 nan 0.000 0.447 524 S N 0.246 115.876 115.700 -0.117 0.000 2.370 524 S HA -0.142 4.329 4.470 0.001 0.000 0.226 524 S C 2.068 176.466 174.600 -0.335 0.000 1.033 524 S CA 1.164 59.242 58.200 -0.203 0.000 1.011 524 S CB -0.230 62.842 63.200 -0.212 0.000 0.852 524 S HN 0.164 nan 8.310 nan 0.000 0.457 525 V N 2.247 121.917 119.914 -0.406 0.000 2.407 525 V HA -0.157 3.964 4.120 0.001 0.000 0.248 525 V C 2.328 178.339 176.094 -0.137 0.000 1.055 525 V CA 1.375 63.466 62.300 -0.348 0.000 1.049 525 V CB -0.543 31.117 31.823 -0.272 0.000 0.662 525 V HN 0.481 nan 8.190 nan 0.000 0.455 526 M N -0.043 119.516 119.600 -0.069 0.000 2.159 526 M HA -0.118 4.363 4.480 0.001 0.000 0.263 526 M C 1.989 178.311 176.300 0.036 0.000 1.063 526 M CA 1.459 56.771 55.300 0.020 0.000 1.110 526 M CB -1.218 31.402 32.600 0.033 0.000 1.374 526 M HN 0.454 nan 8.290 nan 0.000 0.411 527 N N 0.595 119.288 118.700 -0.011 0.000 2.331 527 N HA -0.098 4.643 4.740 0.001 0.000 0.180 527 N C 1.731 177.252 175.510 0.019 0.000 1.019 527 N CA 0.792 53.847 53.050 0.009 0.000 0.881 527 N CB -0.335 38.142 38.487 -0.016 0.000 0.972 527 N HN 0.223 nan 8.380 nan 0.000 0.435 528 L N 1.503 122.708 121.223 -0.031 0.000 2.141 528 L HA 0.066 4.407 4.340 0.001 0.000 0.209 528 L C 1.921 178.836 176.870 0.073 0.000 1.094 528 L CA 0.979 55.807 54.840 -0.021 0.000 0.763 528 L CB -0.406 41.572 42.059 -0.136 0.000 0.908 528 L HN 0.063 nan 8.230 nan 0.000 0.437 529 I N -0.955 119.688 120.570 0.121 0.000 2.252 529 I HA -0.252 3.919 4.170 0.001 0.000 0.245 529 I C 2.056 178.384 176.117 0.352 0.000 1.102 529 I CA 1.214 62.663 61.300 0.250 0.000 1.385 529 I CB -0.415 37.768 38.000 0.305 0.000 1.064 529 I HN 0.263 nan 8.210 nan 0.000 0.414 530 D N 0.570 121.129 120.400 0.265 0.000 2.117 530 D HA -0.231 4.410 4.640 0.001 0.000 0.197 530 D C 2.001 178.437 176.300 0.227 0.000 0.987 530 D CA 1.262 55.416 54.000 0.255 0.000 0.829 530 D CB -0.121 40.757 40.800 0.130 0.000 0.961 530 D HN 0.406 nan 8.370 nan 0.000 0.460 531 E N 0.236 120.526 120.200 0.151 0.000 2.085 531 E HA -0.151 4.200 4.350 0.001 0.000 0.194 531 E C 1.752 178.432 176.600 0.134 0.000 0.994 531 E CA 1.197 57.668 56.400 0.118 0.000 0.801 531 E CB 0.169 29.916 29.700 0.079 0.000 0.743 531 E HN 0.100 nan 8.360 nan 0.000 0.453 532 T N -0.197 114.441 114.554 0.140 0.000 2.777 532 T HA -0.162 4.189 4.350 0.001 0.000 0.266 532 T C 1.118 175.853 174.700 0.059 0.000 1.040 532 T CA 1.373 63.520 62.100 0.077 0.000 1.141 532 T CB -0.463 68.438 68.868 0.055 0.000 0.868 532 T HN 0.387 nan 8.240 nan 0.000 0.444 533 W N 1.743 123.103 121.300 0.101 0.000 2.342 533 W HA -0.044 4.617 4.660 0.002 0.000 0.297 533 W C 2.482 179.060 176.519 0.100 0.000 1.213 533 W CA 0.893 58.306 57.345 0.113 0.000 1.251 533 W CB -0.076 29.480 29.460 0.159 0.000 1.136 533 W HN 0.184 nan 8.180 nan 0.000 0.526 534 K N 0.060 120.646 120.400 0.310 0.000 2.148 534 K HA -0.153 4.167 4.320 0.001 0.000 0.204 534 K C 1.804 178.488 176.600 0.139 0.000 1.050 534 K CA 1.219 57.627 56.287 0.202 0.000 0.942 534 K CB -0.154 32.431 32.500 0.141 0.000 0.724 534 K HN 0.134 nan 8.250 nan 0.000 0.446 535 K N 0.067 120.527 120.400 0.100 0.000 2.167 535 K HA 0.018 4.339 4.320 0.001 0.000 0.203 535 K C 2.063 178.677 176.600 0.024 0.000 1.052 535 K CA 0.954 57.271 56.287 0.050 0.000 0.956 535 K CB 0.061 32.574 32.500 0.022 0.000 0.735 535 K HN 0.114 nan 8.250 nan 0.000 0.451 536 M N 0.957 120.558 119.600 0.001 0.000 2.156 536 M HA -0.121 4.360 4.480 0.001 0.000 0.264 536 M C 1.507 177.835 176.300 0.047 0.000 1.067 536 M CA 1.214 56.485 55.300 -0.048 0.000 1.131 536 M CB -0.353 32.131 32.600 -0.193 0.000 1.368 536 M HN 0.080 nan 8.290 nan 0.000 0.416 537 N N 0.784 119.579 118.700 0.159 0.000 2.192 537 N HA -0.176 4.564 4.740 0.001 0.000 0.188 537 N C 1.520 177.094 175.510 0.107 0.000 1.013 537 N CA 1.208 54.372 53.050 0.190 0.000 0.863 537 N CB -0.364 38.266 38.487 0.238 0.000 0.990 537 N HN 0.407 nan 8.380 nan 0.000 0.430 538 K N 0.966 121.417 120.400 0.084 0.000 2.025 538 K HA -0.142 4.178 4.320 0.001 0.000 0.207 538 K C 1.823 178.452 176.600 0.049 0.000 1.049 538 K CA 1.143 57.467 56.287 0.063 0.000 0.933 538 K CB -0.006 32.529 32.500 0.058 0.000 0.714 538 K HN -0.049 nan 8.250 nan 0.000 0.438 539 E N 1.049 121.273 120.200 0.040 0.000 2.097 539 E HA -0.236 4.115 4.350 0.001 0.000 0.196 539 E C 1.738 178.353 176.600 0.026 0.000 1.000 539 E CA 1.650 58.072 56.400 0.037 0.000 0.804 539 E CB -0.008 29.701 29.700 0.014 0.000 0.740 539 E HN 0.074 nan 8.360 nan 0.000 0.454 540 K N -0.192 120.218 120.400 0.018 0.000 2.217 540 K HA 0.030 4.351 4.320 0.001 0.000 0.202 540 K C 1.895 178.506 176.600 0.019 0.000 1.051 540 K CA 0.831 57.125 56.287 0.013 0.000 0.952 540 K CB -0.219 32.297 32.500 0.026 0.000 0.736 540 K HN 0.227 nan 8.250 nan 0.000 0.453 541 L N -0.957 120.283 121.223 0.028 0.000 2.217 541 L HA 0.120 4.460 4.340 0.001 0.000 0.211 541 L C 0.920 177.794 176.870 0.007 0.000 1.107 541 L CA 0.597 55.446 54.840 0.015 0.000 0.783 541 L CB 0.045 42.118 42.059 0.023 0.000 0.919 541 L HN 0.428 nan 8.230 nan 0.000 0.442 542 G N -3.655 105.156 108.800 0.019 0.000 2.320 542 G HA2 0.348 4.309 3.960 0.001 0.000 0.297 542 G HA3 0.348 4.309 3.960 0.001 0.000 0.297 542 G C 0.280 175.198 174.900 0.030 0.000 1.344 542 G CA -0.278 44.832 45.100 0.016 0.000 0.851 542 G HN 0.069 nan 8.290 nan 0.000 0.567 543 G N -1.081 107.734 108.800 0.025 0.000 2.228 543 G HA2 -0.088 3.873 3.960 0.001 0.000 0.270 543 G HA3 -0.088 3.873 3.960 0.001 0.000 0.270 543 G C 1.073 176.004 174.900 0.052 0.000 0.976 543 G CA 1.657 46.776 45.100 0.033 0.000 0.636 543 G HN 2.097 nan 8.290 nan 0.000 0.542 544 S N -0.613 115.124 115.700 0.062 0.000 2.573 544 S HA 0.391 4.862 4.470 0.001 0.000 0.277 544 S C 1.486 176.122 174.600 0.060 0.000 1.346 544 S CA 0.340 58.599 58.200 0.098 0.000 1.034 544 S CB 0.945 64.207 63.200 0.103 0.000 0.879 544 S HN 1.229 nan 8.310 nan 0.000 0.528 545 L N 4.840 126.092 121.223 0.049 0.000 2.298 545 L HA 0.500 4.841 4.340 0.001 0.000 0.209 545 L C -0.070 176.654 176.870 -0.243 0.000 1.084 545 L CA 1.020 55.782 54.840 -0.131 0.000 0.816 545 L CB -0.398 41.521 42.059 -0.233 0.000 0.967 545 L HN 0.604 nan 8.230 nan 0.000 0.460 546 F N 0.961 120.879 119.950 -0.053 0.000 2.380 546 F HA 0.562 5.090 4.527 0.001 0.000 0.325 546 F C 1.163 176.981 175.800 0.031 0.000 1.136 546 F CA -0.394 57.609 58.000 0.006 0.000 1.171 546 F CB 0.284 39.317 39.000 0.055 0.000 1.230 546 F HN -0.002 nan 8.300 nan 0.000 0.554 547 A N 2.031 125.002 122.820 0.251 0.000 2.462 547 A HA 0.205 4.526 4.320 0.001 0.000 0.243 547 A C 1.269 178.943 177.584 0.150 0.000 1.076 547 A CA -0.562 51.564 52.037 0.149 0.000 0.773 547 A CB 0.401 19.471 19.000 0.116 0.000 1.010 547 A HN 0.830 nan 8.150 nan 0.000 0.493 548 K N 1.828 122.278 120.400 0.082 0.000 2.074 548 K HA -0.100 4.221 4.320 0.001 0.000 0.209 548 K C -0.980 175.643 176.600 0.039 0.000 1.048 548 K CA 2.240 58.555 56.287 0.046 0.000 0.926 548 K CB -1.303 31.213 32.500 0.026 0.000 0.713 548 K HN 0.555 nan 8.250 nan 0.000 0.444 549 P HA -0.186 nan 4.420 nan 0.000 0.215 549 P C 1.281 178.612 177.300 0.052 0.000 1.163 549 P CA 1.202 64.350 63.100 0.080 0.000 0.894 549 P CB -0.064 31.707 31.700 0.118 0.000 0.791 550 F N -0.420 119.500 119.950 -0.050 0.000 2.259 550 F HA -0.142 4.386 4.527 0.002 0.000 0.298 550 F C 1.823 177.548 175.800 -0.124 0.000 1.088 550 F CA 0.797 58.739 58.000 -0.097 0.000 1.358 550 F CB -0.319 38.658 39.000 -0.038 0.000 1.040 550 F HN -0.311 nan 8.300 nan 0.000 0.505 551 V N 0.460 120.180 119.914 -0.322 0.000 2.343 551 V HA -0.294 3.826 4.120 0.001 0.000 0.247 551 V C 2.264 178.133 176.094 -0.374 0.000 1.051 551 V CA 2.191 64.243 62.300 -0.414 0.000 1.036 551 V CB -0.735 30.990 31.823 -0.163 0.000 0.654 551 V HN 0.321 nan 8.190 nan 0.000 0.451 552 E N 0.531 120.593 120.200 -0.230 0.000 2.110 552 E HA -0.183 4.168 4.350 0.001 0.000 0.193 552 E C 2.191 178.654 176.600 -0.228 0.000 0.988 552 E CA 1.943 58.242 56.400 -0.168 0.000 0.804 552 E CB -0.473 29.185 29.700 -0.069 0.000 0.745 552 E HN 0.570 nan 8.360 nan 0.000 0.458 553 T N 0.144 114.523 114.554 -0.293 0.000 2.788 553 T HA -0.134 4.217 4.350 0.001 0.000 0.268 553 T C 1.756 176.220 174.700 -0.393 0.000 1.044 553 T CA 1.324 63.239 62.100 -0.309 0.000 1.139 553 T CB -0.443 68.257 68.868 -0.280 0.000 0.867 553 T HN 0.355 nan 8.240 nan 0.000 0.454 554 A N 1.315 123.780 122.820 -0.592 0.000 1.877 554 A HA -0.012 4.309 4.320 0.001 0.000 0.216 554 A C 2.267 179.621 177.584 -0.383 0.000 1.186 554 A CA 1.205 52.921 52.037 -0.535 0.000 0.620 554 A CB -0.787 17.799 19.000 -0.689 0.000 0.822 554 A HN 0.516 nan 8.150 nan 0.000 0.443 555 I N 0.280 120.635 120.570 -0.359 0.000 2.264 555 I HA -0.284 3.887 4.170 0.001 0.000 0.248 555 I C 1.940 177.898 176.117 -0.265 0.000 1.111 555 I CA 1.106 62.207 61.300 -0.332 0.000 1.382 555 I CB -0.532 37.320 38.000 -0.247 0.000 1.060 555 I HN 0.312 nan 8.210 nan 0.000 0.418 556 N N 0.946 119.504 118.700 -0.236 0.000 2.205 556 N HA -0.209 4.532 4.740 0.001 0.000 0.186 556 N C 1.842 177.165 175.510 -0.311 0.000 1.015 556 N CA 1.196 54.111 53.050 -0.224 0.000 0.862 556 N CB -0.451 37.913 38.487 -0.206 0.000 0.986 556 N HN 0.312 nan 8.380 nan 0.000 0.429 557 L N 0.659 121.687 121.223 -0.325 0.000 2.083 557 L HA -0.082 4.258 4.340 0.001 0.000 0.209 557 L C 2.051 178.720 176.870 -0.335 0.000 1.083 557 L CA 1.494 56.108 54.840 -0.376 0.000 0.752 557 L CB -0.400 41.526 42.059 -0.221 0.000 0.899 557 L HN 0.112 nan 8.230 nan 0.000 0.433 558 A N -0.299 122.373 122.820 -0.247 0.000 1.898 558 A HA -0.162 4.159 4.320 0.001 0.000 0.216 558 A C 2.372 179.998 177.584 0.071 0.000 1.181 558 A CA 1.484 53.428 52.037 -0.154 0.000 0.620 558 A CB -0.500 18.253 19.000 -0.412 0.000 0.819 558 A HN 0.480 nan 8.150 nan 0.000 0.442 559 R N -1.007 119.540 120.500 0.078 0.000 2.091 559 R HA -0.187 4.154 4.340 0.001 0.000 0.238 559 R C 2.433 178.696 176.300 -0.062 0.000 1.136 559 R CA 1.662 57.841 56.100 0.133 0.000 0.959 559 R CB -0.300 29.997 30.300 -0.006 0.000 0.856 559 R HN 0.594 nan 8.270 nan 0.000 0.437 560 Q N 0.756 120.356 119.800 -0.334 0.000 2.119 560 Q HA -0.066 4.275 4.340 0.001 0.000 0.201 560 Q C 1.904 177.645 176.000 -0.432 0.000 0.972 560 Q CA 1.830 57.267 55.803 -0.610 0.000 0.847 560 Q CB -0.059 27.933 28.738 -1.242 0.000 0.903 560 Q HN 0.142 nan 8.270 nan 0.000 0.433 561 S N -0.201 115.346 115.700 -0.255 0.000 2.368 561 S HA -0.147 4.324 4.470 0.001 0.000 0.225 561 S C 1.652 176.406 174.600 0.256 0.000 1.030 561 S CA 1.158 59.468 58.200 0.183 0.000 0.999 561 S CB -0.454 62.860 63.200 0.191 0.000 0.844 561 S HN 0.539 nan 8.310 nan 0.000 0.459 562 H N -0.125 119.067 119.070 0.202 0.000 2.389 562 H HA 0.022 4.579 4.556 0.001 0.000 0.299 562 H C 2.156 177.571 175.328 0.146 0.000 1.081 562 H CA 1.105 57.269 56.048 0.193 0.000 1.345 562 H CB -0.382 29.452 29.762 0.121 0.000 1.393 562 H HN 0.413 nan 8.280 nan 0.000 0.520 563 C N 0.429 119.831 119.300 0.170 0.000 2.514 563 C HA -0.014 4.447 4.460 0.001 0.000 0.271 563 C C 2.646 177.736 174.990 0.166 0.000 1.399 563 C CA 1.254 60.323 59.018 0.085 0.000 1.765 563 C CB -0.735 26.986 27.740 -0.032 0.000 1.893 563 C HN 0.728 nan 8.230 nan 0.000 0.531 564 T N -3.963 110.717 114.554 0.211 0.000 3.015 564 T HA 0.104 4.455 4.350 0.001 0.000 0.250 564 T C 0.425 175.181 174.700 0.092 0.000 1.057 564 T CA 0.455 62.683 62.100 0.213 0.000 1.066 564 T CB -0.377 68.597 68.868 0.178 0.000 0.959 564 T HN 0.408 nan 8.240 nan 0.000 0.488 565 Y N 4.662 125.191 120.300 0.382 0.000 2.827 565 Y HA 0.353 4.904 4.550 0.001 0.000 0.373 565 Y C 0.946 176.996 175.900 0.250 0.000 1.198 565 Y CA -1.686 56.581 58.100 0.278 0.000 1.589 565 Y CB -0.522 38.096 38.460 0.263 0.000 1.682 565 Y HN 0.455 nan 8.280 nan 0.000 0.506 566 H N -1.755 117.437 119.070 0.204 0.000 2.748 566 H HA 0.457 5.014 4.556 0.001 0.000 0.315 566 H C -0.670 174.741 175.328 0.138 0.000 1.429 566 H CA -1.245 54.898 56.048 0.159 0.000 1.444 566 H CB 1.301 31.131 29.762 0.113 0.000 1.827 566 H HN 0.186 nan 8.280 nan 0.000 0.754 567 N N -0.627 118.133 118.700 0.099 0.000 2.571 567 N HA 0.225 4.966 4.740 0.001 0.000 0.298 567 N C 0.386 175.954 175.510 0.097 0.000 1.671 567 N CA 0.625 53.687 53.050 0.021 0.000 0.900 567 N CB 0.134 38.660 38.487 0.065 0.000 1.365 567 N HN 1.087 nan 8.380 nan 0.000 0.493 568 G N 1.120 110.066 108.800 0.243 0.000 2.566 568 G HA2 -0.309 3.652 3.960 0.001 0.000 0.280 568 G HA3 -0.309 3.652 3.960 0.001 0.000 0.280 568 G C -0.502 174.511 174.900 0.188 0.000 1.225 568 G CA 0.784 46.052 45.100 0.280 0.000 0.966 568 G HN 0.722 nan 8.290 nan 0.000 0.560 569 D N -3.355 117.116 120.400 0.118 0.000 2.970 569 D HA 0.677 5.318 4.640 0.001 0.000 0.344 569 D C 1.070 177.399 176.300 0.048 0.000 1.365 569 D CA 0.537 54.574 54.000 0.061 0.000 0.910 569 D CB 0.336 41.152 40.800 0.026 0.000 1.445 569 D HN 1.404 nan 8.370 nan 0.000 0.532 570 A N -1.299 121.512 122.820 -0.016 0.000 2.070 570 A HA -0.059 4.261 4.320 0.001 0.000 0.220 570 A C 1.283 178.980 177.584 0.188 0.000 1.159 570 A CA 1.516 53.561 52.037 0.013 0.000 0.656 570 A CB -1.045 17.895 19.000 -0.100 0.000 0.800 570 A HN 0.597 nan 8.150 nan 0.000 0.453 571 H N -1.774 117.324 119.070 0.048 0.000 2.329 571 H HA 0.092 4.649 4.556 0.001 0.000 0.285 571 H C 0.461 175.820 175.328 0.052 0.000 1.062 571 H CA 0.042 56.117 56.048 0.046 0.000 1.511 571 H CB -0.007 29.783 29.762 0.047 0.000 1.471 571 H HN 0.326 nan 8.280 nan 0.000 0.613 572 T N 0.802 115.482 114.554 0.210 0.000 2.795 572 T HA 0.074 4.425 4.350 0.001 0.000 0.314 572 T C 0.443 175.218 174.700 0.124 0.000 1.069 572 T CA -0.237 61.949 62.100 0.143 0.000 1.071 572 T CB 1.423 70.371 68.868 0.133 0.000 0.988 572 T HN 0.159 nan 8.240 nan 0.000 0.543 573 S N 0.986 116.750 115.700 0.107 0.000 2.617 573 S HA 0.368 4.839 4.470 0.001 0.000 0.283 573 S C -1.686 172.976 174.600 0.104 0.000 1.189 573 S CA -1.955 56.300 58.200 0.091 0.000 1.036 573 S CB 0.855 64.097 63.200 0.069 0.000 1.014 573 S HN 0.336 nan 8.310 nan 0.000 0.522 574 P HA -0.127 nan 4.420 nan 0.000 0.214 574 P C 0.369 177.684 177.300 0.024 0.000 1.172 574 P CA 1.398 64.500 63.100 0.003 0.000 0.925 574 P CB 0.032 31.709 31.700 -0.038 0.000 0.793 575 D N -1.662 118.754 120.400 0.027 0.000 2.378 575 D HA -0.086 4.555 4.640 0.001 0.000 0.227 575 D C 1.684 178.022 176.300 0.062 0.000 1.012 575 D CA 0.650 54.673 54.000 0.039 0.000 0.905 575 D CB -0.108 40.711 40.800 0.031 0.000 0.895 575 D HN 0.238 nan 8.370 nan 0.000 0.532 576 E N 0.018 120.269 120.200 0.085 0.000 2.244 576 E HA 0.013 4.363 4.350 0.001 0.000 0.196 576 E C 1.690 178.349 176.600 0.098 0.000 0.939 576 E CA 0.006 56.454 56.400 0.080 0.000 0.884 576 E CB -0.149 29.597 29.700 0.076 0.000 0.850 576 E HN 0.057 nan 8.360 nan 0.000 0.481 577 L N 0.665 121.983 121.223 0.159 0.000 2.083 577 L HA -0.074 4.267 4.340 0.001 0.000 0.209 577 L C 2.005 178.935 176.870 0.100 0.000 1.083 577 L CA 1.966 56.894 54.840 0.146 0.000 0.752 577 L CB -0.837 41.345 42.059 0.205 0.000 0.899 577 L HN 0.137 nan 8.230 nan 0.000 0.433 578 T N -0.825 113.835 114.554 0.178 0.000 2.788 578 T HA -0.204 4.147 4.350 0.001 0.000 0.268 578 T C 2.033 176.689 174.700 -0.073 0.000 1.044 578 T CA 1.482 63.617 62.100 0.058 0.000 1.139 578 T CB -0.194 68.734 68.868 0.101 0.000 0.867 578 T HN 0.312 nan 8.240 nan 0.000 0.454 579 R N 0.944 121.439 120.500 -0.010 0.000 2.073 579 R HA -0.067 4.273 4.340 0.001 0.000 0.234 579 R C 2.401 178.691 176.300 -0.017 0.000 1.134 579 R CA 1.178 57.267 56.100 -0.018 0.000 0.952 579 R CB -0.009 30.301 30.300 0.017 0.000 0.850 579 R HN 0.202 nan 8.270 nan 0.000 0.433 580 K N 0.346 120.753 120.400 0.013 0.000 2.032 580 K HA -0.178 4.143 4.320 0.001 0.000 0.209 580 K C 2.194 178.811 176.600 0.029 0.000 1.048 580 K CA 1.446 57.752 56.287 0.032 0.000 0.927 580 K CB -0.279 32.252 32.500 0.052 0.000 0.712 580 K HN 0.261 nan 8.250 nan 0.000 0.441 581 R N 0.584 121.081 120.500 -0.005 0.000 2.091 581 R HA -0.102 4.239 4.340 0.001 0.000 0.238 581 R C 2.412 178.709 176.300 -0.005 0.000 1.136 581 R CA 1.244 57.356 56.100 0.020 0.000 0.959 581 R CB -0.509 29.790 30.300 -0.002 0.000 0.856 581 R HN -0.023 nan 8.270 nan 0.000 0.437 582 V N 1.639 121.414 119.914 -0.231 0.000 2.392 582 V HA -0.240 3.881 4.120 0.001 0.000 0.249 582 V C 2.253 178.385 176.094 0.062 0.000 1.059 582 V CA 1.706 63.902 62.300 -0.172 0.000 1.051 582 V CB -0.452 31.241 31.823 -0.217 0.000 0.658 582 V HN 0.291 nan 8.190 nan 0.000 0.455 583 L N 0.747 122.003 121.223 0.055 0.000 2.072 583 L HA -0.098 4.243 4.340 0.001 0.000 0.205 583 L C 2.698 179.656 176.870 0.147 0.000 1.079 583 L CA 1.692 56.589 54.840 0.096 0.000 0.752 583 L CB -0.936 41.165 42.059 0.071 0.000 0.906 583 L HN 0.523 nan 8.230 nan 0.000 0.436 584 S N -0.664 115.131 115.700 0.159 0.000 2.423 584 S HA -0.077 4.394 4.470 0.001 0.000 0.231 584 S C 1.777 176.577 174.600 0.333 0.000 1.014 584 S CA 0.941 59.270 58.200 0.215 0.000 0.965 584 S CB -0.444 62.861 63.200 0.174 0.000 0.785 584 S HN 0.191 nan 8.310 nan 0.000 0.495 585 V N 0.637 120.750 119.914 0.333 0.000 2.825 585 V HA 0.259 4.380 4.120 0.001 0.000 0.246 585 V C 2.014 178.321 176.094 0.354 0.000 1.068 585 V CA 0.966 63.503 62.300 0.396 0.000 1.088 585 V CB -0.346 31.718 31.823 0.402 0.000 0.733 585 V HN 0.460 nan 8.190 nan 0.000 0.468 586 I N -1.253 119.501 120.570 0.307 0.000 3.366 586 I HA -0.001 4.170 4.170 0.001 0.000 0.267 586 I C 2.242 178.484 176.117 0.208 0.000 1.149 586 I CA 0.767 62.246 61.300 0.298 0.000 1.436 586 I CB -0.239 37.939 38.000 0.297 0.000 1.379 586 I HN 0.158 nan 8.210 nan 0.000 0.460 587 T N 0.633 115.287 114.554 0.166 0.000 2.613 587 T HA -0.021 4.330 4.350 0.001 0.000 0.248 587 T C 0.417 175.186 174.700 0.115 0.000 1.107 587 T CA 0.649 62.822 62.100 0.121 0.000 1.238 587 T CB -0.425 68.501 68.868 0.097 0.000 0.899 587 T HN 0.216 nan 8.240 nan 0.000 0.400 588 E N 2.745 123.018 120.200 0.122 0.000 2.324 588 E HA 0.225 4.576 4.350 0.001 0.000 0.271 588 E C -2.506 174.189 176.600 0.158 0.000 1.028 588 E CA -1.566 54.906 56.400 0.120 0.000 0.890 588 E CB 0.516 30.280 29.700 0.107 0.000 1.004 588 E HN 0.266 nan 8.360 nan 0.000 0.431 589 P HA 0.093 nan 4.420 nan 0.000 0.276 589 P C -0.278 177.144 177.300 0.203 0.000 1.252 589 P CA -0.346 62.862 63.100 0.181 0.000 0.802 589 P CB 0.659 32.437 31.700 0.131 0.000 1.035 590 I N 1.171 121.901 120.570 0.266 0.000 2.634 590 I HA 0.039 4.210 4.170 0.001 0.000 0.284 590 I C 0.787 176.988 176.117 0.140 0.000 1.124 590 I CA -0.308 61.102 61.300 0.185 0.000 1.417 590 I CB 0.087 38.193 38.000 0.176 0.000 1.396 590 I HN 0.125 nan 8.210 nan 0.000 0.571 591 L N 7.503 128.782 121.223 0.093 0.000 2.525 591 L HA 0.066 4.407 4.340 0.001 0.000 0.278 591 L C -1.925 175.001 176.870 0.093 0.000 1.218 591 L CA -1.341 53.544 54.840 0.076 0.000 0.878 591 L CB -0.289 41.793 42.059 0.039 0.000 1.127 591 L HN 0.321 nan 8.230 nan 0.000 0.492 592 P HA -0.151 nan 4.420 nan 0.000 0.266 592 P C -0.524 176.849 177.300 0.123 0.000 1.186 592 P CA -0.015 63.159 63.100 0.123 0.000 0.767 592 P CB 0.261 32.020 31.700 0.097 0.000 0.820 593 F N 2.836 122.793 119.950 0.012 0.000 2.543 593 F HA 0.068 4.596 4.527 0.001 0.000 0.375 593 F C 0.779 176.572 175.800 -0.013 0.000 1.075 593 F CA 0.297 58.295 58.000 -0.003 0.000 1.225 593 F CB 0.196 39.188 39.000 -0.013 0.000 1.099 593 F HN 0.328 nan 8.300 nan 0.000 0.561 594 E N 0.000 119.774 120.200 -0.709 0.000 2.725 594 E HA 0.000 4.351 4.350 0.001 0.000 0.291 594 E CA 0.000 56.080 56.400 -0.534 0.000 0.976 594 E CB 0.000 29.508 29.700 -0.320 0.000 0.812 594 E HN 0.000 nan 8.360 nan 0.000 0.440