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 1g5h_1_C DATA FIRST_RESID 41 DATA SEQUENCE EALVDLCRRR HFLSGTPQQL STAALLSGCH ARFGPLGVEL RKNLASQWWS DATA SEQUENCE SXVVFREQVF AVDSLHQEPG SSQPRDSAFR LVSPESIREI LQDXXXSKEQ DATA SEQUENCE LVAFLENLLK TSGKLRATLL HGALEHYVNC LDLVNRKLPF GLAQIGVCFH DATA SEQUENCE PVSXXXXXXX XXTRVGEKTE ASLVWFTPTR TSSQWLDFWL RHRLLWWRKF DATA SEQUENCE AXSPSNFSSA DCQDELGRKG SKLYYSFPWG KEPIETLWNL GDQELLHTYP DATA SEQUENCE GNVSTIQGRD GRKNVVPCVL SVSGDVDLGT LAYLYDSFQL XXXXXXXXXX DATA SEQUENCE XXRKVLKLHP CLAPIKVALD VGKGPTVELR QVCQGLLNEL LENGISVWPG DATA SEQUENCE YSETVHSSLE QLHSKYDEXS VLFSVLVTET TLENGLIQLR SRDTTXKEXX DATA SEQUENCE HISKLRDFLV KYLASASNVA AALDHHHHH 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 41 E HA 0.000 nan 4.350 nan 0.000 0.291 41 E C 0.000 176.580 176.600 -0.034 0.000 1.382 41 E CA 0.000 56.413 56.400 0.022 0.000 0.976 41 E CB 0.000 29.714 29.700 0.024 0.000 0.812 42 A N 2.243 125.051 122.820 -0.020 0.000 2.054 42 A HA -0.227 4.093 4.320 0.000 0.000 0.223 42 A C 2.054 179.462 177.584 -0.293 0.000 1.169 42 A CA 1.637 53.642 52.037 -0.053 0.000 0.655 42 A CB -0.486 18.573 19.000 0.099 0.000 0.812 42 A HN 0.267 nan 8.150 nan 0.000 0.462 43 L N -0.387 120.540 121.223 -0.493 0.000 2.084 43 L HA -0.037 4.303 4.340 0.000 0.000 0.202 43 L C 2.408 179.020 176.870 -0.430 0.000 1.074 43 L CA 1.991 56.354 54.840 -0.795 0.000 0.757 43 L CB -0.993 40.480 42.059 -0.977 0.000 0.918 43 L HN 0.248 nan 8.230 nan 0.000 0.444 44 V N 0.944 120.703 119.914 -0.259 0.000 2.332 44 V HA -0.311 3.809 4.120 0.000 0.000 0.248 44 V C 2.208 178.243 176.094 -0.098 0.000 1.055 44 V CA 2.248 64.467 62.300 -0.135 0.000 1.038 44 V CB -0.716 31.086 31.823 -0.036 0.000 0.651 44 V HN 0.439 nan 8.190 nan 0.000 0.450 45 D N -0.225 120.119 120.400 -0.092 0.000 2.117 45 D HA -0.164 4.476 4.640 0.000 0.000 0.198 45 D C 2.063 178.327 176.300 -0.059 0.000 0.982 45 D CA 1.208 55.171 54.000 -0.061 0.000 0.828 45 D CB -0.141 40.634 40.800 -0.041 0.000 0.967 45 D HN 0.399 nan 8.370 nan 0.000 0.464 46 L N 0.057 121.232 121.223 -0.079 0.000 2.046 46 L HA -0.169 4.171 4.340 0.000 0.000 0.208 46 L C 1.676 178.543 176.870 -0.005 0.000 1.077 46 L CA 1.220 56.039 54.840 -0.037 0.000 0.747 46 L CB -0.154 41.890 42.059 -0.025 0.000 0.896 46 L HN 0.181 nan 8.230 nan 0.000 0.432 47 C N -0.244 119.034 119.300 -0.036 0.000 2.435 47 C HA -0.092 4.368 4.460 0.000 0.000 0.279 47 C C 2.835 177.889 174.990 0.106 0.000 1.321 47 C CA 0.864 59.934 59.018 0.085 0.000 1.752 47 C CB -0.961 26.779 27.740 0.001 0.000 1.959 47 C HN 0.573 nan 8.230 nan 0.000 0.500 48 R N 1.809 122.311 120.500 0.004 0.000 2.062 48 R HA -0.067 4.273 4.340 0.000 0.000 0.229 48 R C 2.360 178.543 176.300 -0.196 0.000 1.128 48 R CA 1.627 57.698 56.100 -0.049 0.000 0.960 48 R CB -0.713 29.562 30.300 -0.041 0.000 0.855 48 R HN 0.604 nan 8.270 nan 0.000 0.432 49 R N -0.473 119.935 120.500 -0.153 0.000 2.115 49 R HA -0.013 4.327 4.340 0.000 0.000 0.230 49 R C 0.922 177.044 176.300 -0.296 0.000 1.111 49 R CA 1.164 57.142 56.100 -0.204 0.000 0.976 49 R CB -0.002 30.248 30.300 -0.083 0.000 0.870 49 R HN -0.009 nan 8.270 nan 0.000 0.445 50 R N -0.029 120.381 120.500 -0.149 0.000 2.334 50 R HA 0.083 4.423 4.340 0.000 0.000 0.216 50 R C -0.301 175.966 176.300 -0.055 0.000 0.905 50 R CA 0.064 56.134 56.100 -0.050 0.000 1.064 50 R CB -0.387 29.999 30.300 0.144 0.000 1.046 50 R HN 0.412 nan 8.270 nan 0.000 0.508 51 H N -1.534 117.556 119.070 0.033 0.000 2.941 51 H HA -0.170 4.386 4.556 0.000 0.000 0.279 51 H C 0.478 175.781 175.328 -0.041 0.000 1.247 51 H CA 0.718 56.765 56.048 -0.001 0.000 1.129 51 H CB -1.955 27.786 29.762 -0.035 0.000 1.313 51 H HN 0.170 nan 8.280 nan 0.000 0.384 52 F N 0.106 120.135 119.950 0.133 0.000 2.270 52 F HA 0.171 4.698 4.527 0.000 0.000 0.295 52 F C 1.733 177.683 175.800 0.249 0.000 1.087 52 F CA 0.810 58.910 58.000 0.166 0.000 1.365 52 F CB 0.521 39.589 39.000 0.114 0.000 1.056 52 F HN -0.014 nan 8.300 nan 0.000 0.506 53 L N -0.728 120.694 121.223 0.332 0.000 2.322 53 L HA 0.477 4.817 4.340 0.000 0.000 0.269 53 L C 0.152 177.120 176.870 0.164 0.000 1.012 53 L CA -0.768 54.203 54.840 0.217 0.000 0.815 53 L CB 1.837 43.973 42.059 0.129 0.000 1.295 53 L HN -0.088 nan 8.230 nan 0.000 0.438 54 S N -0.355 115.426 115.700 0.135 0.000 2.745 54 S HA 0.999 5.469 4.470 0.000 0.000 0.306 54 S C -0.267 174.397 174.600 0.106 0.000 1.137 54 S CA -0.237 58.045 58.200 0.137 0.000 0.900 54 S CB 2.095 65.385 63.200 0.149 0.000 1.176 54 S HN 1.232 nan 8.310 nan 0.000 0.520 55 G N 0.283 109.118 108.800 0.058 0.000 2.515 55 G HA2 0.316 4.276 3.960 0.000 0.000 0.686 55 G HA3 0.316 4.276 3.960 0.000 0.000 0.686 55 G C -0.296 174.561 174.900 -0.072 0.000 1.274 55 G CA -0.383 44.685 45.100 -0.054 0.000 0.874 55 G HN 1.728 nan 8.290 nan 0.000 0.631 56 T N -0.579 113.900 114.554 -0.125 0.000 2.828 56 T HA 0.621 4.971 4.350 0.000 0.000 0.290 56 T C -0.896 173.746 174.700 -0.097 0.000 1.019 56 T CA -0.557 61.488 62.100 -0.091 0.000 1.031 56 T CB 1.600 70.413 68.868 -0.093 0.000 1.001 56 T HN 0.276 nan 8.240 nan 0.000 0.531 57 P HA -0.146 nan 4.420 nan 0.000 0.216 57 P C 1.691 178.946 177.300 -0.075 0.000 1.154 57 P CA 1.351 64.415 63.100 -0.059 0.000 0.865 57 P CB -0.002 31.672 31.700 -0.043 0.000 0.789 58 Q N -1.002 118.746 119.800 -0.086 0.000 2.224 58 Q HA -0.147 4.193 4.340 0.000 0.000 0.203 58 Q C 1.935 177.856 176.000 -0.132 0.000 0.970 58 Q CA 1.015 56.762 55.803 -0.093 0.000 0.865 58 Q CB -0.262 28.426 28.738 -0.083 0.000 0.922 58 Q HN 0.487 nan 8.270 nan 0.000 0.445 59 Q N -0.350 119.329 119.800 -0.201 0.000 2.403 59 Q HA 0.066 4.406 4.340 0.000 0.000 0.203 59 Q C 1.068 176.957 176.000 -0.185 0.000 0.932 59 Q CA 0.253 55.845 55.803 -0.352 0.000 0.945 59 Q CB 0.495 28.782 28.738 -0.751 0.000 1.045 59 Q HN 0.321 nan 8.270 nan 0.000 0.511 60 L N 0.647 121.806 121.223 -0.107 0.000 2.728 60 L HA 0.158 4.499 4.340 0.000 0.000 0.238 60 L C 0.656 177.496 176.870 -0.051 0.000 1.143 60 L CA -0.384 54.428 54.840 -0.047 0.000 0.937 60 L CB 0.434 42.469 42.059 -0.040 0.000 1.225 60 L HN 0.056 nan 8.230 nan 0.000 0.507 61 S N -1.931 113.724 115.700 -0.075 0.000 2.593 61 S HA 0.085 4.555 4.470 0.000 0.000 0.269 61 S C 1.310 175.814 174.600 -0.159 0.000 1.334 61 S CA -0.264 57.875 58.200 -0.102 0.000 1.015 61 S CB 1.317 64.455 63.200 -0.103 0.000 0.912 61 S HN 0.118 nan 8.310 nan 0.000 0.541 62 T N 2.309 116.705 114.554 -0.263 0.000 2.665 62 T HA -0.153 4.197 4.350 0.000 0.000 0.268 62 T C 2.155 176.606 174.700 -0.416 0.000 1.035 62 T CA 1.908 63.705 62.100 -0.506 0.000 1.151 62 T CB -0.996 67.361 68.868 -0.853 0.000 0.862 62 T HN 0.866 nan 8.240 nan 0.000 0.438 63 A N 1.205 123.846 122.820 -0.298 0.000 1.933 63 A HA 0.162 4.482 4.320 0.000 0.000 0.218 63 A C 2.604 180.114 177.584 -0.122 0.000 1.175 63 A CA 1.832 53.745 52.037 -0.206 0.000 0.628 63 A CB -0.968 17.947 19.000 -0.143 0.000 0.814 63 A HN 0.528 nan 8.150 nan 0.000 0.444 64 A N -0.488 122.278 122.820 -0.091 0.000 1.968 64 A HA 0.098 4.418 4.320 0.000 0.000 0.217 64 A C 2.088 179.693 177.584 0.036 0.000 1.169 64 A CA 1.195 53.228 52.037 -0.006 0.000 0.638 64 A CB -0.480 18.512 19.000 -0.014 0.000 0.812 64 A HN 0.455 nan 8.150 nan 0.000 0.446 65 L N -0.565 120.636 121.223 -0.036 0.000 2.141 65 L HA -0.103 4.237 4.340 0.000 0.000 0.209 65 L C 2.204 179.018 176.870 -0.092 0.000 1.094 65 L CA 0.770 55.575 54.840 -0.058 0.000 0.763 65 L CB -0.332 41.692 42.059 -0.059 0.000 0.908 65 L HN 0.372 nan 8.230 nan 0.000 0.437 66 L N -1.131 120.023 121.223 -0.115 0.000 2.375 66 L HA -0.037 4.303 4.340 0.000 0.000 0.215 66 L C 2.752 179.615 176.870 -0.012 0.000 1.108 66 L CA 0.876 55.668 54.840 -0.080 0.000 0.830 66 L CB -0.432 41.549 42.059 -0.130 0.000 0.959 66 L HN 0.326 nan 8.230 nan 0.000 0.457 67 S N 0.035 115.741 115.700 0.009 0.000 2.406 67 S HA -0.041 4.429 4.470 0.000 0.000 0.228 67 S C 1.701 176.389 174.600 0.146 0.000 1.020 67 S CA 0.801 59.061 58.200 0.100 0.000 0.965 67 S CB -0.205 63.034 63.200 0.065 0.000 0.798 67 S HN 0.515 nan 8.310 nan 0.000 0.488 68 G N -0.182 108.633 108.800 0.024 0.000 2.147 68 G HA2 -0.265 3.695 3.960 0.000 0.000 0.244 68 G HA3 -0.265 3.695 3.960 0.000 0.000 0.244 68 G C 0.633 175.490 174.900 -0.070 0.000 1.005 68 G CA 0.182 45.262 45.100 -0.034 0.000 0.713 68 G HN 0.642 nan 8.290 nan 0.000 0.515 69 C N 1.039 120.330 119.300 -0.016 0.000 2.500 69 C HA 0.310 4.770 4.460 0.000 0.000 0.273 69 C C 1.207 176.234 174.990 0.061 0.000 1.428 69 C CA 0.703 59.723 59.018 0.003 0.000 1.766 69 C CB -1.196 26.563 27.740 0.032 0.000 1.817 69 C HN 0.788 nan 8.230 nan 0.000 0.543 70 H N -1.467 117.568 119.070 -0.058 0.000 2.894 70 H HA 0.605 5.161 4.556 0.000 0.000 0.368 70 H C -0.733 174.558 175.328 -0.061 0.000 1.181 70 H CA -0.723 55.293 56.048 -0.053 0.000 1.146 70 H CB 1.414 31.145 29.762 -0.053 0.000 1.839 70 H HN -0.052 nan 8.280 nan 0.000 0.557 71 A N 2.447 125.203 122.820 -0.108 0.000 2.475 71 A HA 0.144 4.464 4.320 0.000 0.000 0.293 71 A C 1.148 178.563 177.584 -0.281 0.000 1.252 71 A CA -0.452 51.498 52.037 -0.146 0.000 0.920 71 A CB -0.434 18.569 19.000 0.006 0.000 1.125 71 A HN 0.769 nan 8.150 nan 0.000 0.528 72 R N 1.397 121.523 120.500 -0.624 0.000 2.189 72 R HA -0.011 4.329 4.340 0.000 0.000 0.223 72 R C -0.656 175.322 176.300 -0.537 0.000 1.092 72 R CA 0.831 56.474 56.100 -0.762 0.000 0.989 72 R CB -0.037 29.585 30.300 -1.129 0.000 0.876 72 R HN 0.660 nan 8.270 nan 0.000 0.457 73 F N -0.212 119.764 119.950 0.043 0.000 2.443 73 F HA 0.437 4.964 4.527 0.000 0.000 0.335 73 F C 1.221 177.077 175.800 0.093 0.000 1.104 73 F CA -1.191 56.863 58.000 0.090 0.000 1.013 73 F CB 1.069 40.121 39.000 0.087 0.000 1.136 73 F HN -0.105 nan 8.300 nan 0.000 0.470 74 G N 1.886 110.868 108.800 0.303 0.000 2.563 74 G HA2 0.343 4.303 3.960 0.000 0.000 0.283 74 G HA3 0.343 4.303 3.960 0.000 0.000 0.283 74 G C -1.950 173.038 174.900 0.146 0.000 1.309 74 G CA -1.264 43.962 45.100 0.211 0.000 1.022 74 G HN 0.396 nan 8.290 nan 0.000 0.501 75 P HA -0.103 nan 4.420 nan 0.000 0.216 75 P C 2.022 179.302 177.300 -0.032 0.000 1.153 75 P CA 0.740 63.851 63.100 0.018 0.000 0.858 75 P CB 0.110 31.806 31.700 -0.007 0.000 0.789 76 L N -0.791 120.349 121.223 -0.138 0.000 2.093 76 L HA -0.013 4.327 4.340 0.000 0.000 0.208 76 L C 2.673 179.442 176.870 -0.167 0.000 1.085 76 L CA 2.203 56.833 54.840 -0.349 0.000 0.755 76 L CB -1.850 39.590 42.059 -1.032 0.000 0.904 76 L HN 0.010 nan 8.230 nan 0.000 0.435 77 G N -1.233 107.583 108.800 0.027 0.000 2.408 77 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 77 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 77 G C 1.630 176.490 174.900 -0.067 0.000 1.150 77 G CA 0.928 46.148 45.100 0.199 0.000 0.776 77 G HN 0.240 nan 8.290 nan 0.000 0.542 78 V N 0.653 120.573 119.914 0.009 0.000 2.407 78 V HA -0.133 3.987 4.120 0.000 0.000 0.248 78 V C 2.651 178.712 176.094 -0.055 0.000 1.055 78 V CA 2.254 64.534 62.300 -0.033 0.000 1.049 78 V CB -0.155 31.697 31.823 0.048 0.000 0.662 78 V HN 0.453 nan 8.190 nan 0.000 0.455 79 E N 0.193 120.376 120.200 -0.028 0.000 2.072 79 E HA -0.193 4.157 4.350 0.000 0.000 0.191 79 E C 1.933 178.518 176.600 -0.024 0.000 0.985 79 E CA 1.037 57.425 56.400 -0.019 0.000 0.801 79 E CB -0.379 29.316 29.700 -0.008 0.000 0.750 79 E HN 0.395 nan 8.360 nan 0.000 0.452 80 L N 1.080 122.298 121.223 -0.007 0.000 2.012 80 L HA -0.146 4.194 4.340 0.000 0.000 0.210 80 L C 2.395 179.214 176.870 -0.085 0.000 1.073 80 L CA 2.150 56.986 54.840 -0.006 0.000 0.748 80 L CB -0.634 41.484 42.059 0.099 0.000 0.891 80 L HN 0.097 nan 8.230 nan 0.000 0.431 81 R N -0.316 120.087 120.500 -0.162 0.000 2.075 81 R HA -0.231 4.109 4.340 0.000 0.000 0.232 81 R C 2.428 178.677 176.300 -0.085 0.000 1.126 81 R CA 1.750 57.743 56.100 -0.178 0.000 0.963 81 R CB -0.225 29.872 30.300 -0.338 0.000 0.858 81 R HN 0.502 nan 8.270 nan 0.000 0.435 82 K N 0.444 120.803 120.400 -0.070 0.000 2.063 82 K HA -0.152 4.168 4.320 0.000 0.000 0.208 82 K C 1.651 178.240 176.600 -0.018 0.000 1.048 82 K CA 2.019 58.286 56.287 -0.034 0.000 0.928 82 K CB -0.144 32.340 32.500 -0.025 0.000 0.713 82 K HN 0.149 nan 8.250 nan 0.000 0.442 83 N N 0.869 119.546 118.700 -0.038 0.000 2.069 83 N HA -0.181 4.559 4.740 0.000 0.000 0.191 83 N C 1.694 177.153 175.510 -0.084 0.000 1.031 83 N CA 1.380 54.395 53.050 -0.058 0.000 0.852 83 N CB -0.512 37.918 38.487 -0.094 0.000 1.018 83 N HN 0.182 nan 8.380 nan 0.000 0.423 84 L N 1.092 122.249 121.223 -0.111 0.000 2.042 84 L HA -0.097 4.244 4.340 0.000 0.000 0.210 84 L C 2.085 179.049 176.870 0.156 0.000 1.076 84 L CA 1.698 56.498 54.840 -0.068 0.000 0.749 84 L CB -0.921 41.134 42.059 -0.006 0.000 0.893 84 L HN 0.170 nan 8.230 nan 0.000 0.432 85 A N -1.840 121.047 122.820 0.111 0.000 1.933 85 A HA -0.172 4.149 4.320 0.000 0.000 0.218 85 A C 2.375 180.120 177.584 0.270 0.000 1.175 85 A CA 1.878 54.007 52.037 0.153 0.000 0.628 85 A CB -0.841 18.183 19.000 0.040 0.000 0.814 85 A HN 0.520 nan 8.150 nan 0.000 0.444 86 S N -0.188 115.626 115.700 0.189 0.000 2.382 86 S HA -0.158 4.312 4.470 0.000 0.000 0.228 86 S C 2.082 176.868 174.600 0.310 0.000 1.027 86 S CA 1.297 59.634 58.200 0.229 0.000 0.991 86 S CB -0.273 63.004 63.200 0.128 0.000 0.823 86 S HN 0.592 nan 8.310 nan 0.000 0.469 87 Q N -0.447 119.519 119.800 0.277 0.000 2.167 87 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 87 Q C 1.786 178.130 176.000 0.573 0.000 0.970 87 Q CA 0.964 56.983 55.803 0.360 0.000 0.855 87 Q CB -0.318 28.553 28.738 0.222 0.000 0.911 87 Q HN 0.760 nan 8.270 nan 0.000 0.438 88 W N 0.281 121.803 121.300 0.370 0.000 2.407 88 W HA -0.160 4.500 4.660 0.000 0.000 0.305 88 W C 2.098 178.641 176.519 0.039 0.000 1.196 88 W CA 0.929 58.266 57.345 -0.012 0.000 1.311 88 W CB -0.412 28.929 29.460 -0.199 0.000 1.135 88 W HN 0.234 nan 8.180 nan 0.000 0.514 89 W N 1.025 122.567 121.300 0.404 0.000 2.338 89 W HA -0.244 4.416 4.660 0.000 0.000 0.304 89 W C 2.147 178.733 176.519 0.112 0.000 1.212 89 W CA 2.234 59.747 57.345 0.280 0.000 1.264 89 W CB -0.794 28.823 29.460 0.261 0.000 1.142 89 W HN -0.165 nan 8.180 nan 0.000 0.512 90 S N 0.528 116.398 115.700 0.284 0.000 2.348 90 S HA -0.131 4.340 4.470 0.000 0.000 0.221 90 S C 1.214 175.850 174.600 0.060 0.000 1.033 90 S CA 1.087 59.422 58.200 0.224 0.000 1.010 90 S CB -0.549 62.817 63.200 0.277 0.000 0.891 90 S HN 0.051 nan 8.310 nan 0.000 0.442 94 V N 0.074 119.871 119.914 -0.196 0.000 2.323 94 V HA -0.106 4.014 4.120 0.000 0.000 0.244 94 V C 1.893 178.026 176.094 0.065 0.000 1.041 94 V CA 2.511 64.817 62.300 0.009 0.000 1.025 94 V CB -0.506 31.420 31.823 0.171 0.000 0.656 94 V HN 0.538 nan 8.190 nan 0.000 0.451 95 F N 0.647 120.566 119.950 -0.051 0.000 2.804 95 F HA 0.192 4.719 4.527 0.000 0.000 0.303 95 F C 1.138 177.012 175.800 0.124 0.000 1.154 95 F CA 0.283 58.316 58.000 0.056 0.000 1.401 95 F CB -0.039 38.958 39.000 -0.005 0.000 1.106 95 F HN 0.020 nan 8.300 nan 0.000 0.568 96 R N 1.116 121.694 120.500 0.129 0.000 2.435 96 R HA 0.143 4.483 4.340 0.000 0.000 0.308 96 R C 0.909 177.175 176.300 -0.057 0.000 0.975 96 R CA -0.145 55.999 56.100 0.073 0.000 0.867 96 R CB 1.173 31.501 30.300 0.046 0.000 1.171 96 R HN 0.186 nan 8.270 nan 0.000 0.470 97 E N 2.547 122.726 120.200 -0.036 0.000 2.358 97 E HA -0.160 4.190 4.350 0.000 0.000 0.195 97 E C 0.264 176.766 176.600 -0.164 0.000 1.010 97 E CA 1.145 57.481 56.400 -0.107 0.000 0.856 97 E CB 0.325 30.003 29.700 -0.037 0.000 0.795 97 E HN 0.579 nan 8.360 nan 0.000 0.504 98 Q N 0.684 120.472 119.800 -0.020 0.000 2.280 98 Q HA 0.221 4.561 4.340 0.000 0.000 0.201 98 Q C -0.378 175.699 176.000 0.128 0.000 0.890 98 Q CA -0.107 55.772 55.803 0.127 0.000 0.947 98 Q CB 1.317 30.229 28.738 0.289 0.000 1.081 98 Q HN 0.006 nan 8.270 nan 0.000 0.502 99 V N 1.318 121.118 119.914 -0.190 0.000 2.384 99 V HA 0.399 4.519 4.120 0.000 0.000 0.287 99 V C -0.670 175.116 176.094 -0.514 0.000 1.020 99 V CA -0.588 61.648 62.300 -0.107 0.000 0.850 99 V CB 0.691 32.467 31.823 -0.079 0.000 0.987 99 V HN 0.069 nan 8.190 nan 0.000 0.436 100 F N 2.034 122.054 119.950 0.116 0.000 2.541 100 F HA 0.816 5.343 4.527 0.000 0.000 0.331 100 F C 0.657 176.521 175.800 0.107 0.000 1.057 100 F CA -0.822 57.232 58.000 0.089 0.000 0.975 100 F CB 1.461 40.519 39.000 0.097 0.000 1.246 100 F HN 0.529 nan 8.300 nan 0.000 0.484 101 A N 1.046 124.067 122.820 0.335 0.000 2.340 101 A HA 0.642 4.962 4.320 0.000 0.000 0.268 101 A C -0.920 176.845 177.584 0.301 0.000 1.100 101 A CA -0.533 51.742 52.037 0.395 0.000 0.803 101 A CB 1.004 20.348 19.000 0.573 0.000 1.043 101 A HN 0.669 nan 8.150 nan 0.000 0.488 102 V N 1.378 121.445 119.914 0.256 0.000 2.876 102 V HA 0.656 4.776 4.120 0.000 0.000 0.312 102 V C -1.520 174.590 176.094 0.027 0.000 1.085 102 V CA -0.532 61.808 62.300 0.067 0.000 0.945 102 V CB 2.234 34.084 31.823 0.046 0.000 1.017 102 V HN 1.103 nan 8.190 nan 0.000 0.428 103 D N 3.293 123.625 120.400 -0.114 0.000 2.646 103 D HA 0.763 5.403 4.640 0.000 0.000 0.245 103 D C -0.749 175.497 176.300 -0.089 0.000 1.099 103 D CA -0.027 53.938 54.000 -0.059 0.000 0.849 103 D CB 2.325 43.122 40.800 -0.006 0.000 1.448 103 D HN 0.869 nan 8.370 nan 0.000 0.489 104 S N 2.586 118.285 115.700 -0.001 0.000 2.595 104 S HA 0.572 5.042 4.470 0.000 0.000 0.281 104 S C -0.459 174.179 174.600 0.063 0.000 1.117 104 S CA -1.028 57.235 58.200 0.105 0.000 0.873 104 S CB 0.779 64.074 63.200 0.158 0.000 1.108 104 S HN 0.486 nan 8.310 nan 0.000 0.477 105 L N 1.657 122.951 121.223 0.119 0.000 2.467 105 L HA 0.271 4.611 4.340 0.000 0.000 0.270 105 L C 1.300 178.233 176.870 0.106 0.000 1.205 105 L CA -0.434 54.486 54.840 0.134 0.000 0.828 105 L CB 0.120 42.266 42.059 0.144 0.000 1.101 105 L HN 0.869 nan 8.230 nan 0.000 0.479 106 H N -0.677 118.474 119.070 0.136 0.000 2.502 106 H HA 0.030 4.587 4.556 0.000 0.000 0.283 106 H C 0.039 175.452 175.328 0.141 0.000 1.015 106 H CA 0.523 56.685 56.048 0.190 0.000 1.298 106 H CB 0.097 30.003 29.762 0.240 0.000 1.411 106 H HN 0.491 nan 8.280 nan 0.000 0.556 107 Q N 0.655 120.578 119.800 0.207 0.000 2.230 107 Q HA 0.321 4.661 4.340 0.000 0.000 0.253 107 Q C -0.420 175.637 176.000 0.095 0.000 0.919 107 Q CA -0.347 55.525 55.803 0.115 0.000 0.908 107 Q CB 1.851 30.633 28.738 0.074 0.000 1.245 107 Q HN 0.390 nan 8.270 nan 0.000 0.437 108 E N 1.911 122.153 120.200 0.070 0.000 2.299 108 E HA 0.392 4.742 4.350 0.000 0.000 0.265 108 E C -2.515 174.098 176.600 0.022 0.000 0.911 108 E CA -2.426 54.004 56.400 0.050 0.000 0.789 108 E CB 1.386 31.118 29.700 0.054 0.000 1.246 108 E HN 0.307 nan 8.360 nan 0.000 0.427 109 P HA -0.004 nan 4.420 nan 0.000 0.264 109 P C -0.323 176.969 177.300 -0.013 0.000 1.193 109 P CA 0.121 63.216 63.100 -0.008 0.000 0.763 109 P CB 0.357 32.045 31.700 -0.019 0.000 0.810 110 G N 2.200 110.989 108.800 -0.017 0.000 2.396 110 G HA2 0.344 4.304 3.960 0.000 0.000 0.292 110 G HA3 0.344 4.304 3.960 0.000 0.000 0.292 110 G C -0.469 174.412 174.900 -0.030 0.000 1.106 110 G CA -0.133 44.952 45.100 -0.025 0.000 1.055 110 G HN 0.380 nan 8.290 nan 0.000 0.424 111 S N 1.070 116.753 115.700 -0.029 0.000 2.620 111 S HA 0.367 4.837 4.470 0.000 0.000 0.244 111 S C -0.030 174.553 174.600 -0.029 0.000 1.192 111 S CA -0.799 57.383 58.200 -0.029 0.000 1.148 111 S CB 1.251 64.435 63.200 -0.026 0.000 1.106 111 S HN 0.902 nan 8.310 nan 0.000 0.474 112 S N 2.207 117.888 115.700 -0.033 0.000 2.422 112 S HA 0.471 4.941 4.470 0.000 0.000 0.298 112 S C 0.327 174.911 174.600 -0.028 0.000 1.118 112 S CA -0.508 57.672 58.200 -0.033 0.000 1.083 112 S CB 1.553 64.728 63.200 -0.042 0.000 0.971 112 S HN 0.780 nan 8.310 nan 0.000 0.478 113 Q N 3.094 122.880 119.800 -0.024 0.000 2.563 113 Q HA 0.273 4.613 4.340 0.000 0.000 0.236 113 Q C -1.508 174.481 176.000 -0.019 0.000 0.792 113 Q CA -0.224 55.568 55.803 -0.019 0.000 0.960 113 Q CB -0.265 28.465 28.738 -0.013 0.000 1.304 113 Q HN 0.728 nan 8.270 nan 0.000 0.566 114 P HA 0.313 nan 4.420 nan 0.000 0.344 114 P C -0.882 176.405 177.300 -0.022 0.000 1.321 114 P CA -0.446 62.642 63.100 -0.020 0.000 0.773 114 P CB 0.578 32.265 31.700 -0.021 0.000 1.723 115 R N 0.071 120.558 120.500 -0.020 0.000 2.477 115 R HA 0.139 4.479 4.340 0.000 0.000 0.285 115 R C 0.473 176.762 176.300 -0.019 0.000 1.415 115 R CA -0.218 55.868 56.100 -0.024 0.000 1.446 115 R CB 0.388 30.675 30.300 -0.021 0.000 1.110 115 R HN 0.406 nan 8.270 nan 0.000 0.590 116 D N 0.302 120.690 120.400 -0.021 0.000 2.097 116 D HA -0.128 4.512 4.640 0.000 0.000 0.197 116 D C 0.698 177.001 176.300 0.004 0.000 0.984 116 D CA 1.545 55.541 54.000 -0.006 0.000 0.826 116 D CB 0.465 41.261 40.800 -0.006 0.000 0.973 116 D HN 0.404 nan 8.370 nan 0.000 0.460 117 S N -2.077 113.610 115.700 -0.022 0.000 2.000 117 S HA -0.220 4.250 4.470 0.000 0.000 0.243 117 S C 0.451 175.047 174.600 -0.006 0.000 1.092 117 S CA 0.929 59.115 58.200 -0.022 0.000 1.426 117 S CB -1.786 61.432 63.200 0.031 0.000 1.779 117 S HN 0.674 nan 8.310 nan 0.000 0.565 118 A N 1.365 124.209 122.820 0.039 0.000 2.546 118 A HA 0.452 4.772 4.320 0.000 0.000 0.243 118 A C 0.103 177.718 177.584 0.051 0.000 1.063 118 A CA 0.369 52.470 52.037 0.107 0.000 0.757 118 A CB -0.303 18.755 19.000 0.096 0.000 0.991 118 A HN 0.446 nan 8.150 nan 0.000 0.503 119 F N 1.764 121.713 119.950 -0.002 0.000 2.572 119 F HA 0.249 4.776 4.527 0.000 0.000 0.370 119 F C 1.183 176.951 175.800 -0.054 0.000 1.103 119 F CA 1.040 59.018 58.000 -0.036 0.000 1.286 119 F CB 0.582 39.544 39.000 -0.064 0.000 1.105 119 F HN 0.514 nan 8.300 nan 0.000 0.583 120 R N 2.845 123.366 120.500 0.035 0.000 2.536 120 R HA 0.543 4.883 4.340 0.000 0.000 0.279 120 R C -1.097 175.221 176.300 0.029 0.000 1.001 120 R CA -0.761 55.342 56.100 0.005 0.000 1.027 120 R CB 0.697 30.970 30.300 -0.045 0.000 1.096 120 R HN 0.568 nan 8.270 nan 0.000 0.502 121 L N 2.426 123.649 121.223 0.000 0.000 2.280 121 L HA 0.507 4.847 4.340 0.000 0.000 0.287 121 L C -0.764 176.101 176.870 -0.008 0.000 1.023 121 L CA -0.900 53.936 54.840 -0.005 0.000 0.819 121 L CB 1.469 43.516 42.059 -0.020 0.000 1.212 121 L HN 0.169 nan 8.230 nan 0.000 0.420 122 V N 1.793 121.710 119.914 0.005 0.000 2.540 122 V HA 0.266 4.386 4.120 0.000 0.000 0.302 122 V C 0.277 176.388 176.094 0.030 0.000 1.035 122 V CA -0.634 61.673 62.300 0.011 0.000 0.873 122 V CB 1.948 33.787 31.823 0.027 0.000 0.992 122 V HN 0.774 nan 8.190 nan 0.000 0.428 123 S N 6.453 122.175 115.700 0.036 0.000 2.488 123 S HA 0.225 4.695 4.470 0.000 0.000 0.278 123 S C -0.968 173.674 174.600 0.071 0.000 1.259 123 S CA -0.920 57.308 58.200 0.047 0.000 1.061 123 S CB 0.947 64.176 63.200 0.047 0.000 0.910 123 S HN 0.659 nan 8.310 nan 0.000 0.491 124 P HA -0.070 nan 4.420 nan 0.000 0.221 124 P C 0.831 178.160 177.300 0.048 0.000 1.150 124 P CA 1.011 64.141 63.100 0.050 0.000 0.800 124 P CB 0.115 31.833 31.700 0.030 0.000 0.787 125 E N 0.415 120.642 120.200 0.045 0.000 2.110 125 E HA -0.133 4.217 4.350 0.000 0.000 0.193 125 E C 2.252 178.886 176.600 0.058 0.000 0.988 125 E CA 1.722 58.146 56.400 0.039 0.000 0.804 125 E CB -0.403 29.317 29.700 0.033 0.000 0.745 125 E HN 0.363 nan 8.360 nan 0.000 0.458 126 S N 0.835 116.599 115.700 0.107 0.000 2.383 126 S HA -0.121 4.350 4.470 0.000 0.000 0.227 126 S C 2.052 176.747 174.600 0.160 0.000 1.026 126 S CA 0.678 58.993 58.200 0.191 0.000 0.981 126 S CB -0.381 62.989 63.200 0.283 0.000 0.818 126 S HN 0.172 nan 8.310 nan 0.000 0.472 127 I N 1.318 121.967 120.570 0.131 0.000 2.286 127 I HA -0.080 4.090 4.170 0.000 0.000 0.245 127 I C 3.108 179.155 176.117 -0.117 0.000 1.104 127 I CA 1.031 62.312 61.300 -0.032 0.000 1.397 127 I CB -0.258 37.775 38.000 0.054 0.000 1.072 127 I HN 0.233 nan 8.210 nan 0.000 0.417 128 R N 0.657 121.131 120.500 -0.044 0.000 2.081 128 R HA -0.161 4.179 4.340 0.000 0.000 0.235 128 R C 2.185 178.447 176.300 -0.063 0.000 1.131 128 R CA 1.350 57.421 56.100 -0.049 0.000 0.960 128 R CB -0.247 30.042 30.300 -0.019 0.000 0.856 128 R HN 0.405 nan 8.270 nan 0.000 0.436 129 E N 0.567 120.739 120.200 -0.047 0.000 2.085 129 E HA -0.223 4.128 4.350 0.000 0.000 0.194 129 E C 1.975 178.526 176.600 -0.082 0.000 0.994 129 E CA 1.166 57.541 56.400 -0.042 0.000 0.801 129 E CB -0.124 29.574 29.700 -0.003 0.000 0.743 129 E HN 0.328 nan 8.360 nan 0.000 0.453 130 I N 0.524 120.995 120.570 -0.166 0.000 2.546 130 I HA -0.188 3.982 4.170 0.000 0.000 0.255 130 I C 1.662 177.670 176.117 -0.182 0.000 1.163 130 I CA 0.815 61.981 61.300 -0.223 0.000 1.457 130 I CB 0.257 37.962 38.000 -0.493 0.000 1.092 130 I HN 0.081 nan 8.210 nan 0.000 0.434 131 L N -0.453 120.670 121.223 -0.167 0.000 2.554 131 L HA 0.065 4.405 4.340 0.000 0.000 0.225 131 L C 2.084 178.910 176.870 -0.074 0.000 1.104 131 L CA 0.314 55.083 54.840 -0.118 0.000 0.866 131 L CB -0.112 41.878 42.059 -0.115 0.000 1.047 131 L HN 0.256 nan 8.230 nan 0.000 0.468 132 Q N -0.822 118.940 119.800 -0.064 0.000 2.394 132 Q HA 0.056 4.396 4.340 0.000 0.000 0.218 132 Q C -0.060 175.919 176.000 -0.035 0.000 0.907 132 Q CA 0.224 56.002 55.803 -0.042 0.000 0.919 132 Q CB 0.855 29.573 28.738 -0.033 0.000 1.051 132 Q HN 0.397 nan 8.270 nan 0.000 0.538 138 K N 1.976 122.374 120.400 -0.003 0.000 2.032 138 K HA -0.171 4.149 4.320 0.000 0.000 0.209 138 K C 1.477 178.084 176.600 0.011 0.000 1.048 138 K CA 2.049 58.337 56.287 0.003 0.000 0.927 138 K CB -0.278 32.224 32.500 0.002 0.000 0.712 138 K HN 0.800 nan 8.250 nan 0.000 0.441 139 E N 0.462 120.669 120.200 0.011 0.000 2.065 139 E HA -0.258 4.092 4.350 0.000 0.000 0.201 139 E C 2.269 178.886 176.600 0.029 0.000 1.016 139 E CA 1.814 58.224 56.400 0.017 0.000 0.818 139 E CB -0.073 29.635 29.700 0.013 0.000 0.749 139 E HN 0.454 nan 8.360 nan 0.000 0.453 140 Q N 0.158 119.975 119.800 0.028 0.000 2.135 140 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 140 Q C 2.425 178.470 176.000 0.075 0.000 0.981 140 Q CA 0.974 56.805 55.803 0.046 0.000 0.856 140 Q CB -0.123 28.631 28.738 0.026 0.000 0.902 140 Q HN 0.337 nan 8.270 nan 0.000 0.425 141 L N -0.200 121.050 121.223 0.045 0.000 2.046 141 L HA -0.176 4.164 4.340 0.000 0.000 0.208 141 L C 2.347 179.284 176.870 0.112 0.000 1.077 141 L CA 0.771 55.646 54.840 0.057 0.000 0.747 141 L CB -0.380 41.685 42.059 0.011 0.000 0.896 141 L HN 0.090 nan 8.230 nan 0.000 0.432 142 V N -0.113 119.845 119.914 0.072 0.000 2.427 142 V HA -0.255 3.865 4.120 0.000 0.000 0.248 142 V C 2.672 178.808 176.094 0.070 0.000 1.051 142 V CA 1.670 64.008 62.300 0.063 0.000 1.048 142 V CB -0.610 31.234 31.823 0.034 0.000 0.666 142 V HN 0.471 nan 8.190 nan 0.000 0.456 143 A N -0.582 122.285 122.820 0.077 0.000 1.898 143 A HA -0.221 4.099 4.320 0.000 0.000 0.216 143 A C 2.097 179.729 177.584 0.080 0.000 1.181 143 A CA 1.863 53.938 52.037 0.063 0.000 0.620 143 A CB -0.694 18.342 19.000 0.061 0.000 0.819 143 A HN 0.517 nan 8.150 nan 0.000 0.442 144 F N 0.624 120.570 119.950 -0.008 0.000 2.095 144 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 144 F C 1.963 177.757 175.800 -0.010 0.000 1.104 144 F CA 1.851 59.846 58.000 -0.008 0.000 1.232 144 F CB -0.224 38.772 39.000 -0.007 0.000 0.987 144 F HN 0.139 nan 8.300 nan 0.000 0.475 145 L N -0.046 121.272 121.223 0.158 0.000 2.046 145 L HA -0.216 4.124 4.340 0.000 0.000 0.208 145 L C 2.384 179.221 176.870 -0.055 0.000 1.077 145 L CA 1.666 56.531 54.840 0.042 0.000 0.747 145 L CB -0.765 41.348 42.059 0.091 0.000 0.896 145 L HN 0.216 nan 8.230 nan 0.000 0.432 146 E N -0.211 119.968 120.200 -0.035 0.000 2.110 146 E HA -0.237 4.113 4.350 0.000 0.000 0.193 146 E C 1.903 178.448 176.600 -0.092 0.000 0.988 146 E CA 0.962 57.332 56.400 -0.049 0.000 0.804 146 E CB -0.161 29.524 29.700 -0.025 0.000 0.745 146 E HN 0.456 nan 8.360 nan 0.000 0.458 147 N N 0.754 119.371 118.700 -0.139 0.000 2.188 147 N HA -0.125 4.615 4.740 0.000 0.000 0.184 147 N C 1.958 177.337 175.510 -0.219 0.000 1.018 147 N CA 0.561 53.503 53.050 -0.178 0.000 0.858 147 N CB 0.093 38.444 38.487 -0.227 0.000 0.989 147 N HN 0.148 nan 8.380 nan 0.000 0.426 148 L N 0.542 121.592 121.223 -0.290 0.000 2.017 148 L HA -0.198 4.142 4.340 0.000 0.000 0.208 148 L C 2.454 179.238 176.870 -0.144 0.000 1.073 148 L CA 0.825 55.519 54.840 -0.244 0.000 0.745 148 L CB -0.483 41.439 42.059 -0.228 0.000 0.894 148 L HN 0.205 nan 8.230 nan 0.000 0.432 149 L N -0.024 121.129 121.223 -0.117 0.000 2.017 149 L HA -0.217 4.123 4.340 0.000 0.000 0.208 149 L C 2.532 179.357 176.870 -0.075 0.000 1.073 149 L CA 1.871 56.660 54.840 -0.085 0.000 0.745 149 L CB -0.486 41.532 42.059 -0.069 0.000 0.894 149 L HN 0.095 nan 8.230 nan 0.000 0.432 150 K N -1.789 118.565 120.400 -0.077 0.000 2.116 150 K HA -0.043 4.277 4.320 0.000 0.000 0.203 150 K C 1.639 178.202 176.600 -0.063 0.000 1.052 150 K CA 1.588 57.837 56.287 -0.062 0.000 0.952 150 K CB 0.067 32.533 32.500 -0.056 0.000 0.729 150 K HN 0.555 nan 8.250 nan 0.000 0.446 151 T N -3.039 111.467 114.554 -0.080 0.000 2.985 151 T HA 0.179 4.529 4.350 0.000 0.000 0.254 151 T C 0.705 175.365 174.700 -0.067 0.000 1.021 151 T CA -0.461 61.597 62.100 -0.070 0.000 0.957 151 T CB 0.439 69.262 68.868 -0.075 0.000 1.047 151 T HN -0.199 nan 8.240 nan 0.000 0.511 152 S N 1.611 117.265 115.700 -0.077 0.000 2.572 152 S HA 0.562 5.032 4.470 0.000 0.000 0.279 152 S C 1.037 175.613 174.600 -0.040 0.000 1.341 152 S CA -0.384 57.779 58.200 -0.063 0.000 1.043 152 S CB 0.655 63.812 63.200 -0.070 0.000 0.887 152 S HN 0.704 nan 8.310 nan 0.000 0.516 153 G N 1.305 110.090 108.800 -0.026 0.000 2.634 153 G HA2 0.456 4.416 3.960 0.000 0.000 0.255 153 G HA3 0.456 4.416 3.960 0.000 0.000 0.255 153 G C -0.445 174.451 174.900 -0.008 0.000 1.205 153 G CA -0.604 44.488 45.100 -0.012 0.000 0.884 153 G HN 0.710 nan 8.290 nan 0.000 0.549 154 K N -0.922 119.482 120.400 0.007 0.000 2.444 154 K HA 0.630 4.950 4.320 0.000 0.000 0.252 154 K C -1.005 175.613 176.600 0.031 0.000 0.993 154 K CA -1.044 55.254 56.287 0.019 0.000 0.847 154 K CB 1.855 34.370 32.500 0.026 0.000 1.340 154 K HN 0.302 nan 8.250 nan 0.000 0.446 155 L N 2.588 123.826 121.223 0.025 0.000 2.350 155 L HA 0.349 4.690 4.340 0.000 0.000 0.275 155 L C 0.618 177.593 176.870 0.176 0.000 1.099 155 L CA -0.853 53.993 54.840 0.009 0.000 0.808 155 L CB 1.046 42.938 42.059 -0.278 0.000 1.149 155 L HN 0.734 nan 8.230 nan 0.000 0.442 156 R N 2.396 123.061 120.500 0.275 0.000 2.594 156 R HA 0.348 4.688 4.340 0.000 0.000 0.272 156 R C 0.276 176.766 176.300 0.317 0.000 1.074 156 R CA 0.115 56.375 56.100 0.267 0.000 1.105 156 R CB 0.654 31.092 30.300 0.229 0.000 1.008 156 R HN 0.688 nan 8.270 nan 0.000 0.472 157 A N 1.988 124.948 122.820 0.234 0.000 2.197 157 A HA 0.139 4.459 4.320 0.000 0.000 0.210 157 A C 0.379 178.047 177.584 0.140 0.000 1.180 157 A CA 0.874 53.036 52.037 0.208 0.000 0.846 157 A CB 0.204 19.313 19.000 0.182 0.000 0.884 157 A HN 0.921 nan 8.150 nan 0.000 0.487 158 T N -4.288 110.337 114.554 0.118 0.000 2.816 158 T HA 0.561 4.911 4.350 0.000 0.000 0.299 158 T C 0.189 174.913 174.700 0.041 0.000 1.230 158 T CA -0.547 61.584 62.100 0.052 0.000 1.007 158 T CB 0.844 69.715 68.868 0.006 0.000 1.289 158 T HN -0.041 nan 8.240 nan 0.000 0.508 159 L N 0.803 122.027 121.223 0.002 0.000 2.607 159 L HA 0.253 4.593 4.340 0.000 0.000 0.228 159 L C 2.137 179.002 176.870 -0.008 0.000 1.123 159 L CA -0.050 54.795 54.840 0.008 0.000 0.890 159 L CB -0.368 41.689 42.059 -0.003 0.000 1.103 159 L HN 0.573 nan 8.230 nan 0.000 0.468 160 L N 0.234 121.398 121.223 -0.098 0.000 1.990 160 L HA -0.271 4.069 4.340 0.000 0.000 0.213 160 L C 2.696 179.476 176.870 -0.150 0.000 1.072 160 L CA 2.077 56.809 54.840 -0.180 0.000 0.755 160 L CB -0.767 41.086 42.059 -0.342 0.000 0.889 160 L HN 0.281 nan 8.230 nan 0.000 0.432 161 H N -0.540 118.582 119.070 0.086 0.000 2.457 161 H HA -0.046 4.510 4.556 0.000 0.000 0.297 161 H C 2.095 177.507 175.328 0.141 0.000 1.092 161 H CA 1.090 57.196 56.048 0.096 0.000 1.309 161 H CB -0.743 29.060 29.762 0.069 0.000 1.382 161 H HN 0.567 nan 8.280 nan 0.000 0.535 162 G N 0.674 109.608 108.800 0.224 0.000 2.433 162 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 162 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 162 G C 2.043 177.164 174.900 0.369 0.000 1.186 162 G CA 1.271 46.534 45.100 0.272 0.000 0.779 162 G HN 0.510 nan 8.290 nan 0.000 0.543 163 A N 0.607 123.592 122.820 0.274 0.000 1.877 163 A HA 0.067 4.387 4.320 0.000 0.000 0.216 163 A C 2.458 180.321 177.584 0.466 0.000 1.186 163 A CA 1.343 53.591 52.037 0.351 0.000 0.620 163 A CB -0.480 18.683 19.000 0.270 0.000 0.822 163 A HN 0.347 nan 8.150 nan 0.000 0.443 164 L N -0.675 120.774 121.223 0.377 0.000 2.079 164 L HA -0.222 4.118 4.340 0.000 0.000 0.210 164 L C 2.473 179.565 176.870 0.369 0.000 1.081 164 L CA 1.752 56.828 54.840 0.393 0.000 0.752 164 L CB -0.670 41.553 42.059 0.273 0.000 0.896 164 L HN 0.505 nan 8.230 nan 0.000 0.433 165 E N -1.142 119.212 120.200 0.256 0.000 2.338 165 E HA -0.142 4.208 4.350 0.000 0.000 0.197 165 E C 1.287 177.954 176.600 0.111 0.000 1.007 165 E CA 0.594 57.048 56.400 0.090 0.000 0.849 165 E CB 0.069 29.761 29.700 -0.013 0.000 0.774 165 E HN 0.600 nan 8.360 nan 0.000 0.506 166 H N -1.487 117.749 119.070 0.277 0.000 2.542 166 H HA 0.021 4.577 4.556 0.000 0.000 0.283 166 H C 0.933 176.402 175.328 0.235 0.000 1.059 166 H CA -0.073 56.111 56.048 0.227 0.000 1.162 166 H CB 0.380 30.256 29.762 0.190 0.000 1.539 166 H HN 0.251 nan 8.280 nan 0.000 0.543 167 Y N 1.433 121.885 120.300 0.253 0.000 2.200 167 Y HA -0.184 4.366 4.550 0.000 0.000 0.290 167 Y C 2.031 177.908 175.900 -0.039 0.000 1.137 167 Y CA 1.040 59.162 58.100 0.037 0.000 1.163 167 Y CB -0.356 37.999 38.460 -0.174 0.000 0.988 167 Y HN -0.108 nan 8.280 nan 0.000 0.518 168 V N 1.406 121.258 119.914 -0.104 0.000 2.343 168 V HA -0.316 3.804 4.120 0.000 0.000 0.247 168 V C 2.088 178.012 176.094 -0.283 0.000 1.051 168 V CA 2.128 64.218 62.300 -0.350 0.000 1.036 168 V CB -0.729 30.950 31.823 -0.240 0.000 0.654 168 V HN 0.486 nan 8.190 nan 0.000 0.451 169 N N -0.631 117.991 118.700 -0.130 0.000 2.084 169 N HA -0.181 4.559 4.740 0.000 0.000 0.190 169 N C 1.853 177.215 175.510 -0.247 0.000 1.030 169 N CA 1.806 54.778 53.050 -0.130 0.000 0.849 169 N CB -0.878 37.601 38.487 -0.013 0.000 1.012 169 N HN 0.497 nan 8.380 nan 0.000 0.423 170 C N 0.601 119.738 119.300 -0.272 0.000 2.422 170 C HA 0.038 4.498 4.460 0.000 0.000 0.279 170 C C 2.646 177.138 174.990 -0.830 0.000 1.305 170 C CA 0.029 58.743 59.018 -0.507 0.000 1.757 170 C CB -1.262 26.294 27.740 -0.306 0.000 1.962 170 C HN 0.316 nan 8.230 nan 0.000 0.499 171 L N 1.271 122.042 121.223 -0.753 0.000 2.042 171 L HA -0.141 4.199 4.340 0.000 0.000 0.210 171 L C 2.084 178.652 176.870 -0.504 0.000 1.076 171 L CA 2.663 57.078 54.840 -0.709 0.000 0.749 171 L CB -1.054 40.586 42.059 -0.699 0.000 0.893 171 L HN 0.444 nan 8.230 nan 0.000 0.432 172 D N -1.518 118.642 120.400 -0.401 0.000 2.117 172 D HA -0.233 4.407 4.640 0.000 0.000 0.197 172 D C 2.178 178.295 176.300 -0.306 0.000 0.987 172 D CA 1.040 54.865 54.000 -0.292 0.000 0.829 172 D CB -0.075 40.592 40.800 -0.221 0.000 0.961 172 D HN 0.224 nan 8.370 nan 0.000 0.460 173 L N 0.413 121.406 121.223 -0.384 0.000 2.079 173 L HA -0.088 4.252 4.340 0.000 0.000 0.210 173 L C 1.953 178.580 176.870 -0.404 0.000 1.081 173 L CA 1.628 56.229 54.840 -0.398 0.000 0.752 173 L CB -0.424 41.313 42.059 -0.537 0.000 0.896 173 L HN 0.268 nan 8.230 nan 0.000 0.433 174 V N -3.659 115.955 119.914 -0.500 0.000 3.596 174 V HA 0.236 4.357 4.120 0.000 0.000 0.289 174 V C 0.920 176.863 176.094 -0.252 0.000 1.336 174 V CA 0.227 62.298 62.300 -0.383 0.000 1.137 174 V CB -1.034 30.493 31.823 -0.494 0.000 0.966 174 V HN 0.633 nan 8.190 nan 0.000 0.428 175 N N 2.410 120.966 118.700 -0.240 0.000 2.721 175 N HA -0.253 4.487 4.740 0.000 0.000 0.249 175 N C 0.679 176.099 175.510 -0.149 0.000 1.072 175 N CA 1.151 54.100 53.050 -0.168 0.000 0.710 175 N CB -0.560 37.859 38.487 -0.113 0.000 0.993 175 N HN 0.835 nan 8.380 nan 0.000 0.547 176 R N -2.680 117.701 120.500 -0.198 0.000 3.922 176 R HA -0.178 4.162 4.340 0.000 0.000 0.447 176 R C -0.508 175.762 176.300 -0.050 0.000 1.035 176 R CA 1.334 57.354 56.100 -0.134 0.000 1.289 176 R CB -1.334 28.908 30.300 -0.096 0.000 1.906 176 R HN 0.370 nan 8.270 nan 0.000 0.540 177 K N 1.970 122.337 120.400 -0.056 0.000 2.412 177 K HA 0.218 4.539 4.320 0.000 0.000 0.284 177 K C 0.433 177.098 176.600 0.109 0.000 1.046 177 K CA 0.266 56.562 56.287 0.015 0.000 0.999 177 K CB 0.498 33.000 32.500 0.004 0.000 0.941 177 K HN 0.083 nan 8.250 nan 0.000 0.474 178 L N 5.152 126.434 121.223 0.098 0.000 2.375 178 L HA 0.452 4.792 4.340 0.000 0.000 0.268 178 L C -1.754 175.129 176.870 0.022 0.000 1.058 178 L CA -2.125 52.760 54.840 0.075 0.000 0.803 178 L CB 0.846 42.918 42.059 0.022 0.000 1.212 178 L HN 0.509 nan 8.230 nan 0.000 0.451 179 P HA 0.508 nan 4.420 nan 0.000 0.283 179 P C -1.372 175.681 177.300 -0.411 0.000 1.271 179 P CA -0.336 62.480 63.100 -0.472 0.000 0.841 179 P CB 1.458 32.606 31.700 -0.920 0.000 1.122 180 F N -2.630 116.886 119.950 -0.724 0.000 2.713 180 F HA 0.805 5.332 4.527 0.000 0.000 0.311 180 F C -1.000 174.671 175.800 -0.215 0.000 1.141 180 F CA -0.922 56.874 58.000 -0.339 0.000 0.939 180 F CB 1.077 40.104 39.000 0.046 0.000 1.325 180 F HN 0.521 nan 8.300 nan 0.000 0.453 181 G N 1.066 110.118 108.800 0.420 0.000 2.574 181 G HA2 0.698 4.658 3.960 0.000 0.000 0.299 181 G HA3 0.698 4.658 3.960 0.000 0.000 0.299 181 G C -2.327 172.890 174.900 0.529 0.000 1.298 181 G CA -1.166 44.188 45.100 0.423 0.000 0.952 181 G HN 0.818 nan 8.290 nan 0.000 0.477 182 L N 0.910 122.375 121.223 0.404 0.000 2.349 182 L HA 0.704 5.044 4.340 0.000 0.000 0.278 182 L C 0.160 177.169 176.870 0.232 0.000 0.996 182 L CA -0.901 54.166 54.840 0.378 0.000 0.825 182 L CB 2.030 44.370 42.059 0.468 0.000 1.243 182 L HN 0.673 nan 8.230 nan 0.000 0.412 183 A N 3.774 126.723 122.820 0.214 0.000 2.342 183 A HA 0.787 5.107 4.320 0.000 0.000 0.323 183 A C -0.955 176.868 177.584 0.398 0.000 1.125 183 A CA -0.435 51.751 52.037 0.248 0.000 0.785 183 A CB 1.902 20.939 19.000 0.061 0.000 1.221 183 A HN 0.706 nan 8.150 nan 0.000 0.463 184 Q N 1.472 121.505 119.800 0.388 0.000 2.340 184 Q HA 0.661 5.001 4.340 0.000 0.000 0.276 184 Q C -2.062 174.018 176.000 0.132 0.000 1.048 184 Q CA -0.492 55.496 55.803 0.309 0.000 0.832 184 Q CB 1.878 30.702 28.738 0.144 0.000 1.373 184 Q HN 0.727 nan 8.270 nan 0.000 0.409 185 I N 2.433 123.036 120.570 0.054 0.000 2.406 185 I HA 0.817 4.987 4.170 0.000 0.000 0.290 185 I C 0.059 176.114 176.117 -0.102 0.000 0.999 185 I CA -0.581 60.641 61.300 -0.130 0.000 1.124 185 I CB 2.034 39.937 38.000 -0.162 0.000 1.289 185 I HN 0.753 nan 8.210 nan 0.000 0.441 186 G N 4.372 113.106 108.800 -0.109 0.000 2.523 186 G HA2 0.481 4.441 3.960 0.000 0.000 0.291 186 G HA3 0.481 4.441 3.960 0.000 0.000 0.291 186 G C -1.663 173.181 174.900 -0.095 0.000 1.450 186 G CA -0.532 44.516 45.100 -0.087 0.000 0.790 186 G HN 0.258 nan 8.290 nan 0.000 0.496 187 V N -0.357 119.517 119.914 -0.066 0.000 2.607 187 V HA 0.484 4.604 4.120 0.000 0.000 0.289 187 V C 0.149 176.067 176.094 -0.293 0.000 1.053 187 V CA -0.226 61.965 62.300 -0.181 0.000 0.996 187 V CB 0.973 32.673 31.823 -0.205 0.000 0.995 187 V HN 0.888 nan 8.190 nan 0.000 0.476 188 C N 4.221 123.297 119.300 -0.372 0.000 2.614 188 C HA 0.749 5.209 4.460 0.000 0.000 0.320 188 C C -0.521 174.211 174.990 -0.429 0.000 1.200 188 C CA -0.954 57.905 59.018 -0.266 0.000 1.700 188 C CB 1.266 28.987 27.740 -0.031 0.000 2.275 188 C HN 0.682 nan 8.230 nan 0.000 0.492 189 F N 2.098 122.125 119.950 0.129 0.000 2.508 189 F HA 0.618 5.145 4.527 0.000 0.000 0.325 189 F C 0.602 176.491 175.800 0.148 0.000 1.090 189 F CA -0.333 57.714 58.000 0.077 0.000 0.945 189 F CB 1.158 40.175 39.000 0.028 0.000 1.156 189 F HN 0.679 nan 8.300 nan 0.000 0.463 190 H N -0.184 119.016 119.070 0.217 0.000 2.930 190 H HA 0.456 5.013 4.556 0.000 0.000 0.371 190 H C -3.358 172.080 175.328 0.183 0.000 1.169 190 H CA -2.734 53.420 56.048 0.178 0.000 1.157 190 H CB 1.631 31.460 29.762 0.110 0.000 1.789 190 H HN 0.218 nan 8.280 nan 0.000 0.547 191 P HA -0.005 nan 4.420 nan 0.000 0.261 191 P C -0.338 177.102 177.300 0.234 0.000 1.183 191 P CA -0.025 63.245 63.100 0.284 0.000 0.761 191 P CB 0.586 32.423 31.700 0.229 0.000 0.785 192 V N 3.881 123.895 119.914 0.166 0.000 2.305 192 V HA 0.168 4.288 4.120 0.000 0.000 0.275 192 V C 0.789 176.947 176.094 0.106 0.000 1.020 192 V CA -0.404 61.972 62.300 0.128 0.000 0.811 192 V CB 0.873 32.734 31.823 0.064 0.000 1.031 192 V HN 0.615 nan 8.190 nan 0.000 0.439 204 R N 0.667 121.247 120.500 0.134 0.000 2.797 204 R HA 0.856 5.196 4.340 0.000 0.000 0.251 204 R C -0.616 175.605 176.300 -0.132 0.000 1.107 204 R CA -1.046 55.056 56.100 0.004 0.000 1.084 204 R CB 1.662 31.953 30.300 -0.015 0.000 1.205 204 R HN 0.381 nan 8.270 nan 0.000 0.515 205 V N 0.676 120.391 119.914 -0.332 0.000 2.398 205 V HA 0.629 4.750 4.120 0.000 0.000 0.286 205 V C -0.200 175.718 176.094 -0.294 0.000 1.026 205 V CA -0.226 61.812 62.300 -0.436 0.000 0.868 205 V CB 1.286 32.661 31.823 -0.746 0.000 0.982 205 V HN 0.841 nan 8.190 nan 0.000 0.443 206 G N 4.762 113.273 108.800 -0.480 0.000 2.389 206 G HA2 0.604 4.564 3.960 0.000 0.000 0.317 206 G HA3 0.604 4.564 3.960 0.000 0.000 0.317 206 G C -0.795 173.818 174.900 -0.477 0.000 1.137 206 G CA -0.480 44.251 45.100 -0.615 0.000 0.870 206 G HN 0.791 nan 8.290 nan 0.000 0.496 207 E N 0.340 120.430 120.200 -0.183 0.000 2.187 207 E HA 0.362 4.712 4.350 0.000 0.000 0.268 207 E C -0.522 176.055 176.600 -0.039 0.000 0.896 207 E CA -0.707 55.595 56.400 -0.164 0.000 0.766 207 E CB 2.305 31.914 29.700 -0.152 0.000 1.142 207 E HN 0.627 nan 8.360 nan 0.000 0.408 208 K N 0.910 121.285 120.400 -0.042 0.000 2.427 208 K HA 0.422 4.742 4.320 0.000 0.000 0.252 208 K C -1.033 175.535 176.600 -0.052 0.000 0.931 208 K CA -0.676 55.621 56.287 0.017 0.000 0.793 208 K CB 1.800 34.347 32.500 0.078 0.000 1.211 208 K HN 0.162 nan 8.250 nan 0.000 0.426 209 T N 2.712 117.258 114.554 -0.014 0.000 2.737 209 T HA 0.079 4.429 4.350 0.000 0.000 0.296 209 T C -0.649 174.020 174.700 -0.052 0.000 0.922 209 T CA -0.131 61.945 62.100 -0.040 0.000 1.079 209 T CB 0.529 69.393 68.868 -0.007 0.000 0.892 209 T HN 0.622 nan 8.240 nan 0.000 0.514 210 E N 2.136 122.281 120.200 -0.091 0.000 2.175 210 E HA 0.569 4.919 4.350 0.000 0.000 0.278 210 E C -0.824 175.637 176.600 -0.232 0.000 0.969 210 E CA -0.875 55.457 56.400 -0.114 0.000 0.796 210 E CB 0.854 30.508 29.700 -0.077 0.000 1.104 210 E HN 0.666 nan 8.360 nan 0.000 0.395 211 A N 3.644 126.237 122.820 -0.379 0.000 2.253 211 A HA 0.385 4.705 4.320 0.000 0.000 0.316 211 A C -0.541 176.756 177.584 -0.478 0.000 1.327 211 A CA -0.508 51.036 52.037 -0.821 0.000 0.917 211 A CB 1.148 19.145 19.000 -1.672 0.000 1.162 211 A HN 0.409 nan 8.150 nan 0.000 0.535 212 S N 2.363 117.918 115.700 -0.242 0.000 2.454 212 S HA 0.667 5.137 4.470 0.000 0.000 0.306 212 S C -1.024 173.706 174.600 0.216 0.000 1.100 212 S CA -0.510 57.707 58.200 0.028 0.000 1.087 212 S CB 0.864 64.067 63.200 0.004 0.000 1.019 212 S HN 1.115 nan 8.310 nan 0.000 0.480 213 L N 5.883 127.186 121.223 0.132 0.000 2.356 213 L HA 0.754 5.094 4.340 0.000 0.000 0.277 213 L C -1.481 175.318 176.870 -0.118 0.000 0.996 213 L CA -0.411 54.419 54.840 -0.017 0.000 0.822 213 L CB 1.783 43.671 42.059 -0.285 0.000 1.256 213 L HN 0.472 nan 8.230 nan 0.000 0.413 214 V N 5.287 125.139 119.914 -0.104 0.000 2.357 214 V HA 0.368 4.488 4.120 0.000 0.000 0.284 214 V C -0.922 174.940 176.094 -0.386 0.000 1.018 214 V CA -0.464 61.681 62.300 -0.258 0.000 0.841 214 V CB 1.483 33.164 31.823 -0.236 0.000 0.991 214 V HN 0.828 nan 8.190 nan 0.000 0.437 215 W N 6.484 127.361 121.300 -0.705 0.000 2.475 215 W HA 0.617 5.277 4.660 0.000 0.000 0.317 215 W C -1.974 174.114 176.519 -0.717 0.000 1.046 215 W CA -0.896 56.073 57.345 -0.625 0.000 1.215 215 W CB 1.751 30.915 29.460 -0.494 0.000 1.335 215 W HN 0.440 nan 8.180 nan 0.000 0.471 216 F N 4.365 123.824 119.950 -0.818 0.000 2.388 216 F HA 0.391 4.918 4.527 0.000 0.000 0.358 216 F C 0.625 175.944 175.800 -0.802 0.000 1.122 216 F CA -0.354 57.213 58.000 -0.721 0.000 1.056 216 F CB 1.768 40.270 39.000 -0.830 0.000 1.155 216 F HN 0.033 nan 8.300 nan 0.000 0.461 217 T N 4.125 118.491 114.554 -0.314 0.000 2.883 217 T HA 0.541 4.891 4.350 0.000 0.000 0.301 217 T C -2.964 171.729 174.700 -0.011 0.000 1.158 217 T CA -2.459 59.510 62.100 -0.218 0.000 1.007 217 T CB 1.816 70.597 68.868 -0.145 0.000 1.186 217 T HN 0.139 nan 8.240 nan 0.000 0.499 218 P HA 0.180 nan 4.420 nan 0.000 0.269 218 P C 0.789 178.152 177.300 0.105 0.000 1.209 218 P CA 0.069 63.215 63.100 0.075 0.000 0.776 218 P CB 0.214 31.965 31.700 0.086 0.000 0.876 219 T N 1.985 116.590 114.554 0.086 0.000 2.778 219 T HA -0.202 4.148 4.350 0.000 0.000 0.269 219 T C 1.693 176.455 174.700 0.104 0.000 1.050 219 T CA 1.853 64.010 62.100 0.093 0.000 1.137 219 T CB -0.400 68.510 68.868 0.070 0.000 0.860 219 T HN 0.589 nan 8.240 nan 0.000 0.468 220 R N 1.586 122.141 120.500 0.092 0.000 2.148 220 R HA -0.040 4.300 4.340 0.000 0.000 0.227 220 R C 2.033 178.388 176.300 0.093 0.000 1.103 220 R CA 1.778 57.926 56.100 0.079 0.000 0.983 220 R CB -0.832 29.505 30.300 0.062 0.000 0.874 220 R HN 0.454 nan 8.270 nan 0.000 0.451 221 T N -1.934 112.708 114.554 0.148 0.000 3.069 221 T HA 0.126 4.476 4.350 0.000 0.000 0.252 221 T C 1.692 176.566 174.700 0.291 0.000 1.053 221 T CA 0.091 62.296 62.100 0.175 0.000 0.964 221 T CB 0.421 69.436 68.868 0.245 0.000 1.005 221 T HN 0.348 nan 8.240 nan 0.000 0.532 222 S N 2.053 117.917 115.700 0.272 0.000 2.368 222 S HA -0.141 4.329 4.470 0.000 0.000 0.225 222 S C 2.169 176.937 174.600 0.281 0.000 1.030 222 S CA 1.290 59.682 58.200 0.320 0.000 0.999 222 S CB -0.970 62.360 63.200 0.216 0.000 0.844 222 S HN 0.462 nan 8.310 nan 0.000 0.459 223 S N 1.923 117.726 115.700 0.171 0.000 2.383 223 S HA -0.085 4.385 4.470 0.000 0.000 0.227 223 S C 2.142 176.797 174.600 0.092 0.000 1.026 223 S CA 1.180 59.454 58.200 0.124 0.000 0.981 223 S CB -0.426 62.817 63.200 0.071 0.000 0.818 223 S HN 0.611 nan 8.310 nan 0.000 0.472 224 Q N -0.368 119.447 119.800 0.024 0.000 2.084 224 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 224 Q C 1.890 177.833 176.000 -0.094 0.000 0.978 224 Q CA 1.449 57.179 55.803 -0.123 0.000 0.844 224 Q CB -0.206 28.366 28.738 -0.276 0.000 0.898 224 Q HN 0.642 nan 8.270 nan 0.000 0.426 225 W N 0.376 121.742 121.300 0.111 0.000 2.388 225 W HA -0.171 4.489 4.660 0.000 0.000 0.294 225 W C 2.035 178.721 176.519 0.280 0.000 1.212 225 W CA 0.106 57.559 57.345 0.180 0.000 1.271 225 W CB -0.216 29.490 29.460 0.410 0.000 1.126 225 W HN 0.197 nan 8.180 nan 0.000 0.535 226 L N 0.804 122.310 121.223 0.472 0.000 2.012 226 L HA -0.239 4.101 4.340 0.000 0.000 0.210 226 L C 1.728 178.768 176.870 0.284 0.000 1.073 226 L CA 2.135 57.191 54.840 0.361 0.000 0.748 226 L CB -1.035 41.168 42.059 0.240 0.000 0.891 226 L HN -0.132 nan 8.230 nan 0.000 0.431 227 D N -1.051 119.472 120.400 0.204 0.000 2.144 227 D HA -0.232 4.409 4.640 0.000 0.000 0.199 227 D C 2.006 178.473 176.300 0.278 0.000 0.984 227 D CA 1.493 55.612 54.000 0.198 0.000 0.834 227 D CB -0.344 40.487 40.800 0.052 0.000 0.955 227 D HN 0.432 nan 8.370 nan 0.000 0.465 228 F N 0.194 120.159 119.950 0.025 0.000 2.046 228 F HA -0.211 4.316 4.527 0.000 0.000 0.297 228 F C 2.060 177.785 175.800 -0.125 0.000 1.123 228 F CA 1.663 59.577 58.000 -0.144 0.000 1.199 228 F CB -0.616 38.112 39.000 -0.453 0.000 0.972 228 F HN -0.045 nan 8.300 nan 0.000 0.474 229 W N 0.015 121.417 121.300 0.171 0.000 2.374 229 W HA -0.140 4.520 4.660 0.000 0.000 0.288 229 W C 2.222 178.719 176.519 -0.037 0.000 1.218 229 W CA 0.690 58.030 57.345 -0.008 0.000 1.245 229 W CB -0.639 28.840 29.460 0.031 0.000 1.126 229 W HN 0.163 nan 8.180 nan 0.000 0.545 230 L N 1.250 122.600 121.223 0.211 0.000 2.017 230 L HA -0.156 4.185 4.340 0.000 0.000 0.208 230 L C 2.579 179.476 176.870 0.044 0.000 1.073 230 L CA 2.082 56.999 54.840 0.128 0.000 0.745 230 L CB -0.941 41.182 42.059 0.108 0.000 0.894 230 L HN -0.052 nan 8.230 nan 0.000 0.432 231 R N -1.525 118.939 120.500 -0.059 0.000 2.073 231 R HA -0.221 4.119 4.340 0.000 0.000 0.234 231 R C 2.614 178.817 176.300 -0.162 0.000 1.134 231 R CA 1.811 57.803 56.100 -0.180 0.000 0.952 231 R CB -0.773 29.306 30.300 -0.369 0.000 0.850 231 R HN 0.627 nan 8.270 nan 0.000 0.433 232 H N 0.120 118.982 119.070 -0.347 0.000 2.321 232 H HA -0.053 4.503 4.556 0.000 0.000 0.300 232 H C 1.557 176.837 175.328 -0.079 0.000 1.087 232 H CA 1.692 57.544 56.048 -0.327 0.000 1.319 232 H CB 0.296 29.695 29.762 -0.605 0.000 1.379 232 H HN 0.122 nan 8.280 nan 0.000 0.501 233 R N 0.336 120.888 120.500 0.087 0.000 2.092 233 R HA -0.091 4.249 4.340 0.000 0.000 0.231 233 R C 2.489 178.959 176.300 0.284 0.000 1.119 233 R CA 0.409 56.606 56.100 0.160 0.000 0.970 233 R CB -0.950 29.502 30.300 0.253 0.000 0.864 233 R HN 0.291 nan 8.270 nan 0.000 0.440 234 L N 1.056 122.391 121.223 0.187 0.000 2.056 234 L HA -0.052 4.288 4.340 0.000 0.000 0.207 234 L C 2.176 179.085 176.870 0.065 0.000 1.078 234 L CA 1.419 56.371 54.840 0.186 0.000 0.749 234 L CB -0.511 41.601 42.059 0.089 0.000 0.901 234 L HN 0.054 nan 8.230 nan 0.000 0.433 235 L N -2.199 118.984 121.223 -0.066 0.000 2.083 235 L HA -0.248 4.092 4.340 0.000 0.000 0.209 235 L C 2.343 179.077 176.870 -0.226 0.000 1.083 235 L CA 1.581 56.314 54.840 -0.179 0.000 0.752 235 L CB -0.662 41.239 42.059 -0.263 0.000 0.899 235 L HN 0.494 nan 8.230 nan 0.000 0.433 236 W N -0.043 121.017 121.300 -0.399 0.000 2.379 236 W HA -0.208 4.452 4.660 0.000 0.000 0.307 236 W C 2.097 178.374 176.519 -0.403 0.000 1.200 236 W CA 1.201 58.250 57.345 -0.494 0.000 1.297 236 W CB -0.431 28.717 29.460 -0.520 0.000 1.140 236 W HN 0.046 nan 8.180 nan 0.000 0.507 237 W N 0.280 121.570 121.300 -0.018 0.000 2.358 237 W HA -0.100 4.560 4.660 0.000 0.000 0.303 237 W C 2.596 178.718 176.519 -0.663 0.000 1.208 237 W CA 1.620 58.748 57.345 -0.362 0.000 1.274 237 W CB -0.738 28.410 29.460 -0.521 0.000 1.138 237 W HN -0.276 nan 8.180 nan 0.000 0.515 238 R N 0.915 121.248 120.500 -0.278 0.000 2.115 238 R HA -0.139 4.201 4.340 0.000 0.000 0.230 238 R C 2.184 178.319 176.300 -0.275 0.000 1.111 238 R CA 1.654 57.614 56.100 -0.233 0.000 0.976 238 R CB -0.508 29.725 30.300 -0.112 0.000 0.870 238 R HN 0.272 nan 8.270 nan 0.000 0.445 239 K N -0.046 120.057 120.400 -0.494 0.000 2.280 239 K HA -0.115 4.206 4.320 0.000 0.000 0.202 239 K C 0.816 176.983 176.600 -0.723 0.000 1.047 239 K CA 1.355 57.258 56.287 -0.640 0.000 0.942 239 K CB -0.055 31.901 32.500 -0.906 0.000 0.739 239 K HN 0.113 nan 8.250 nan 0.000 0.457 240 F N 1.370 121.019 119.950 -0.502 0.000 2.727 240 F HA 0.347 4.874 4.527 0.000 0.000 0.302 240 F C 1.243 176.968 175.800 -0.124 0.000 1.097 240 F CA -0.502 57.155 58.000 -0.573 0.000 1.330 240 F CB 0.142 38.565 39.000 -0.962 0.000 1.084 240 F HN 0.075 nan 8.300 nan 0.000 0.578 244 P HA -0.107 nan 4.420 nan 0.000 0.222 244 P C 1.614 179.032 177.300 0.197 0.000 1.147 244 P CA 1.228 64.465 63.100 0.228 0.000 0.790 244 P CB -0.131 31.623 31.700 0.090 0.000 0.780 245 S N -1.183 114.570 115.700 0.088 0.000 2.507 245 S HA -0.061 4.409 4.470 0.000 0.000 0.235 245 S C 1.638 176.216 174.600 -0.037 0.000 0.988 245 S CA 0.570 58.786 58.200 0.026 0.000 0.944 245 S CB -1.135 62.056 63.200 -0.015 0.000 0.762 245 S HN 0.032 nan 8.310 nan 0.000 0.526 246 N N 0.693 119.350 118.700 -0.072 0.000 2.521 246 N HA 0.209 4.949 4.740 0.000 0.000 0.188 246 N C -0.923 174.296 175.510 -0.486 0.000 1.146 246 N CA 0.315 53.147 53.050 -0.363 0.000 0.893 246 N CB -0.204 37.971 38.487 -0.521 0.000 0.975 246 N HN 0.454 nan 8.380 nan 0.000 0.451 247 F N 0.401 120.305 119.950 -0.076 0.000 2.427 247 F HA 0.357 4.884 4.527 0.000 0.000 0.346 247 F C 0.805 176.581 175.800 -0.041 0.000 1.120 247 F CA -0.747 57.227 58.000 -0.043 0.000 1.033 247 F CB 1.369 40.390 39.000 0.034 0.000 1.126 247 F HN -0.211 nan 8.300 nan 0.000 0.462 248 S N 1.011 116.781 115.700 0.116 0.000 2.685 248 S HA 0.881 5.351 4.470 0.000 0.000 0.282 248 S C -0.745 173.949 174.600 0.157 0.000 1.159 248 S CA -0.764 57.493 58.200 0.094 0.000 0.833 248 S CB 1.717 64.921 63.200 0.006 0.000 1.151 248 S HN 0.647 nan 8.310 nan 0.000 0.485 249 S N -0.153 115.626 115.700 0.133 0.000 2.599 249 S HA 0.944 5.414 4.470 0.000 0.000 0.294 249 S C -0.655 174.039 174.600 0.157 0.000 1.094 249 S CA -0.502 57.793 58.200 0.159 0.000 0.931 249 S CB 1.357 64.607 63.200 0.082 0.000 1.093 249 S HN 2.010 nan 8.310 nan 0.000 0.488 250 A N 1.284 124.220 122.820 0.192 0.000 2.549 250 A HA 0.725 5.045 4.320 0.000 0.000 0.297 250 A C -1.509 176.113 177.584 0.064 0.000 1.061 250 A CA -0.797 51.312 52.037 0.120 0.000 0.690 250 A CB 1.194 20.275 19.000 0.136 0.000 1.287 250 A HN 0.770 nan 8.150 nan 0.000 0.402 251 D N 0.102 120.516 120.400 0.024 0.000 2.348 251 D HA 0.641 5.281 4.640 0.000 0.000 0.249 251 D C 0.083 176.373 176.300 -0.018 0.000 1.110 251 D CA 0.305 54.296 54.000 -0.016 0.000 0.967 251 D CB 1.419 42.221 40.800 0.003 0.000 1.139 251 D HN 0.978 nan 8.370 nan 0.000 0.466 252 C N -0.520 118.742 119.300 -0.063 0.000 3.321 252 C HA 0.824 5.284 4.460 0.000 0.000 0.329 252 C C -1.528 173.499 174.990 0.062 0.000 1.394 252 C CA -0.882 58.127 59.018 -0.014 0.000 1.291 252 C CB 1.279 28.989 27.740 -0.050 0.000 1.606 252 C HN 0.759 nan 8.230 nan 0.000 0.463 253 Q N 0.736 120.676 119.800 0.233 0.000 2.418 253 Q HA 0.706 5.046 4.340 0.000 0.000 0.282 253 Q C -1.658 174.577 176.000 0.391 0.000 1.044 253 Q CA -0.324 55.687 55.803 0.346 0.000 0.813 253 Q CB 2.228 31.082 28.738 0.192 0.000 1.428 253 Q HN 0.849 nan 8.270 nan 0.000 0.402 254 D N 0.597 121.179 120.400 0.303 0.000 2.549 254 D HA 0.166 4.806 4.640 0.000 0.000 0.270 254 D C 0.328 176.650 176.300 0.036 0.000 1.181 254 D CA -0.409 53.635 54.000 0.074 0.000 1.070 254 D CB 0.634 41.282 40.800 -0.253 0.000 1.154 254 D HN 0.741 nan 8.370 nan 0.000 0.602 255 E N -0.921 119.271 120.200 -0.014 0.000 2.130 255 E HA -0.127 4.223 4.350 0.000 0.000 0.196 255 E C 1.787 178.385 176.600 -0.003 0.000 0.998 255 E CA 1.124 57.521 56.400 -0.006 0.000 0.806 255 E CB -0.225 29.460 29.700 -0.024 0.000 0.738 255 E HN 0.386 nan 8.360 nan 0.000 0.459 256 L N -0.980 120.230 121.223 -0.021 0.000 2.554 256 L HA 0.120 4.460 4.340 0.000 0.000 0.226 256 L C 1.435 178.317 176.870 0.020 0.000 1.137 256 L CA 0.437 55.272 54.840 -0.007 0.000 0.863 256 L CB 0.063 42.106 42.059 -0.026 0.000 0.985 256 L HN 0.344 nan 8.230 nan 0.000 0.451 257 G N 0.199 109.024 108.800 0.042 0.000 2.144 257 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 257 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 257 G C 0.267 175.228 174.900 0.102 0.000 0.988 257 G CA -0.470 44.671 45.100 0.069 0.000 0.659 257 G HN 0.306 nan 8.290 nan 0.000 0.522 258 R N 0.296 120.864 120.500 0.115 0.000 2.539 258 R HA 0.494 4.834 4.340 0.000 0.000 0.275 258 R C 0.117 176.615 176.300 0.330 0.000 1.077 258 R CA -0.290 55.916 56.100 0.177 0.000 1.097 258 R CB 0.630 31.002 30.300 0.119 0.000 1.018 258 R HN -0.009 nan 8.270 nan 0.000 0.483 259 K N 0.891 121.470 120.400 0.297 0.000 2.110 259 K HA 0.573 4.893 4.320 0.000 0.000 0.263 259 K C 0.161 176.892 176.600 0.219 0.000 0.975 259 K CA -0.513 55.917 56.287 0.239 0.000 0.895 259 K CB 1.974 34.557 32.500 0.138 0.000 1.060 259 K HN 0.873 nan 8.250 nan 0.000 0.448 260 G N -0.328 108.396 108.800 -0.128 0.000 2.550 260 G HA2 0.517 4.477 3.960 0.000 0.000 0.293 260 G HA3 0.517 4.477 3.960 0.000 0.000 0.293 260 G C -1.412 173.204 174.900 -0.473 0.000 1.402 260 G CA -0.444 44.327 45.100 -0.549 0.000 0.784 260 G HN 0.410 nan 8.290 nan 0.000 0.482 261 S N -0.861 114.557 115.700 -0.469 0.000 2.588 261 S HA 0.712 5.182 4.470 0.000 0.000 0.275 261 S C -0.949 173.460 174.600 -0.319 0.000 1.130 261 S CA -0.842 57.191 58.200 -0.279 0.000 0.855 261 S CB 2.321 65.456 63.200 -0.109 0.000 1.116 261 S HN 0.596 nan 8.310 nan 0.000 0.472 262 K N 1.148 121.421 120.400 -0.212 0.000 2.318 262 K HA 0.621 4.941 4.320 0.000 0.000 0.249 262 K C -1.304 175.130 176.600 -0.276 0.000 0.942 262 K CA -0.625 55.484 56.287 -0.296 0.000 0.808 262 K CB 1.664 33.931 32.500 -0.388 0.000 1.189 262 K HN 0.422 nan 8.250 nan 0.000 0.428 263 L N 2.881 123.902 121.223 -0.336 0.000 2.325 263 L HA 0.518 4.858 4.340 0.000 0.000 0.278 263 L C -0.991 175.592 176.870 -0.477 0.000 1.023 263 L CA -0.933 53.764 54.840 -0.239 0.000 0.811 263 L CB 0.631 42.638 42.059 -0.086 0.000 1.249 263 L HN 0.539 nan 8.230 nan 0.000 0.431 264 Y N 0.823 121.061 120.300 -0.102 0.000 2.536 264 Y HA 0.425 4.975 4.550 0.000 0.000 0.347 264 Y C -0.761 174.982 175.900 -0.261 0.000 1.000 264 Y CA -0.690 57.319 58.100 -0.151 0.000 1.051 264 Y CB 2.132 40.506 38.460 -0.143 0.000 1.259 264 Y HN 0.336 nan 8.280 nan 0.000 0.468 265 Y N 0.468 120.553 120.300 -0.358 0.000 2.393 265 Y HA 0.502 5.052 4.550 0.000 0.000 0.341 265 Y C -0.358 175.147 175.900 -0.658 0.000 0.988 265 Y CA -1.093 56.508 58.100 -0.833 0.000 1.078 265 Y CB 1.699 39.413 38.460 -1.243 0.000 1.203 265 Y HN 0.544 nan 8.280 nan 0.000 0.453 266 S N 7.299 122.079 115.700 -1.533 0.000 3.072 266 S HA 0.245 4.715 4.470 0.000 0.000 0.306 266 S C -0.522 173.311 174.600 -1.279 0.000 1.207 266 S CA -0.327 57.226 58.200 -1.077 0.000 1.008 266 S CB -1.070 61.673 63.200 -0.762 0.000 1.390 266 S HN 0.464 nan 8.310 nan 0.000 0.523 267 F N 2.886 122.243 119.950 -0.989 0.000 2.435 267 F HA 0.256 4.783 4.527 0.000 0.000 0.316 267 F C -1.064 174.146 175.800 -0.983 0.000 1.220 267 F CA -1.825 55.505 58.000 -1.118 0.000 1.241 267 F CB -0.054 37.779 39.000 -1.944 0.000 1.234 267 F HN 0.294 nan 8.300 nan 0.000 0.569 268 P HA -0.157 nan 4.420 nan 0.000 0.222 268 P C 0.662 177.899 177.300 -0.105 0.000 1.147 268 P CA 1.431 64.396 63.100 -0.224 0.000 0.790 268 P CB -0.178 31.527 31.700 0.009 0.000 0.780 269 W N -1.172 120.095 121.300 -0.054 0.000 3.290 269 W HA 0.572 5.232 4.660 0.000 0.000 0.287 269 W C 0.373 176.863 176.519 -0.047 0.000 1.288 269 W CA 0.378 57.692 57.345 -0.052 0.000 1.725 269 W CB -0.233 29.184 29.460 -0.070 0.000 1.103 269 W HN 0.004 nan 8.180 nan 0.000 0.670 270 G N 0.749 109.350 108.800 -0.333 0.000 2.351 270 G HA2 -0.007 3.953 3.960 0.000 0.000 0.353 270 G HA3 -0.007 3.953 3.960 0.000 0.000 0.353 270 G C -1.133 173.597 174.900 -0.284 0.000 1.358 270 G CA -1.421 43.552 45.100 -0.212 0.000 0.995 270 G HN 0.040 nan 8.290 nan 0.000 0.611 271 K N 0.851 121.140 120.400 -0.185 0.000 2.368 271 K HA 0.382 4.702 4.320 0.000 0.000 0.282 271 K C -0.418 176.249 176.600 0.112 0.000 1.035 271 K CA 0.020 56.233 56.287 -0.123 0.000 0.973 271 K CB 0.909 33.268 32.500 -0.235 0.000 0.957 271 K HN 0.419 nan 8.250 nan 0.000 0.474 272 E N 3.594 123.940 120.200 0.244 0.000 2.222 272 E HA 0.273 4.623 4.350 0.000 0.000 0.267 272 E C -2.527 174.208 176.600 0.226 0.000 0.884 272 E CA -2.294 54.286 56.400 0.299 0.000 0.764 272 E CB 1.945 31.850 29.700 0.342 0.000 1.169 272 E HN 0.348 nan 8.360 nan 0.000 0.413 273 P HA 0.146 nan 4.420 nan 0.000 0.276 273 P C 0.623 177.834 177.300 -0.149 0.000 1.243 273 P CA 0.114 63.024 63.100 -0.316 0.000 0.768 273 P CB 0.437 31.960 31.700 -0.295 0.000 0.856 274 I N -0.209 120.232 120.570 -0.215 0.000 4.181 274 I HA 0.435 4.605 4.170 0.000 0.000 0.331 274 I C 0.324 176.407 176.117 -0.057 0.000 1.312 274 I CA 0.068 61.283 61.300 -0.142 0.000 1.146 274 I CB 0.477 38.266 38.000 -0.352 0.000 1.074 274 I HN 0.198 nan 8.210 nan 0.000 0.402 275 E N 1.567 121.710 120.200 -0.096 0.000 2.352 275 E HA 0.444 4.794 4.350 0.000 0.000 0.280 275 E C -1.088 175.472 176.600 -0.066 0.000 0.930 275 E CA -0.584 55.833 56.400 0.028 0.000 0.765 275 E CB 1.991 31.822 29.700 0.218 0.000 1.219 275 E HN 0.288 nan 8.360 nan 0.000 0.434 276 T N 0.962 115.500 114.554 -0.025 0.000 2.876 276 T HA 0.708 5.059 4.350 0.000 0.000 0.289 276 T C -1.021 173.621 174.700 -0.097 0.000 1.014 276 T CA -0.792 61.241 62.100 -0.112 0.000 0.986 276 T CB 0.859 69.716 68.868 -0.018 0.000 1.021 276 T HN 0.213 nan 8.240 nan 0.000 0.458 277 L N 2.576 123.648 121.223 -0.251 0.000 2.376 277 L HA 0.667 5.007 4.340 0.000 0.000 0.275 277 L C -1.170 175.541 176.870 -0.265 0.000 0.987 277 L CA -0.383 54.374 54.840 -0.138 0.000 0.828 277 L CB 1.616 43.643 42.059 -0.053 0.000 1.249 277 L HN 0.754 nan 8.230 nan 0.000 0.409 278 W N 2.076 123.394 121.300 0.030 0.000 2.785 278 W HA 0.427 5.087 4.660 0.000 0.000 0.333 278 W C 0.137 176.679 176.519 0.039 0.000 1.062 278 W CA -0.531 56.834 57.345 0.033 0.000 1.233 278 W CB 1.663 31.130 29.460 0.011 0.000 1.413 278 W HN 0.330 nan 8.180 nan 0.000 0.489 279 N N 3.602 122.514 118.700 0.352 0.000 2.439 279 N HA 0.154 4.894 4.740 0.000 0.000 0.243 279 N C 0.286 175.923 175.510 0.212 0.000 1.088 279 N CA 0.188 53.382 53.050 0.240 0.000 0.940 279 N CB 0.660 39.271 38.487 0.207 0.000 1.180 279 N HN 0.581 nan 8.380 nan 0.000 0.505 280 L N 2.305 123.611 121.223 0.138 0.000 2.418 280 L HA 0.221 4.561 4.340 0.000 0.000 0.218 280 L C 1.533 178.430 176.870 0.046 0.000 1.125 280 L CA 0.408 55.286 54.840 0.064 0.000 0.835 280 L CB -0.704 41.363 42.059 0.013 0.000 0.953 280 L HN 0.726 nan 8.230 nan 0.000 0.454 281 G N 1.699 110.535 108.800 0.060 0.000 2.553 281 G HA2 -0.338 3.622 3.960 0.000 0.000 0.242 281 G HA3 -0.338 3.622 3.960 0.000 0.000 0.242 281 G C 0.025 174.945 174.900 0.034 0.000 1.277 281 G CA 0.196 45.326 45.100 0.050 0.000 0.910 281 G HN 0.418 nan 8.290 nan 0.000 0.576 282 D N -0.659 119.761 120.400 0.034 0.000 2.433 282 D HA 0.135 4.775 4.640 0.000 0.000 0.211 282 D C 1.921 178.247 176.300 0.044 0.000 1.114 282 D CA 1.024 55.043 54.000 0.032 0.000 0.837 282 D CB -0.169 40.649 40.800 0.030 0.000 0.984 282 D HN 0.668 nan 8.370 nan 0.000 0.505 283 Q N 0.586 120.410 119.800 0.040 0.000 2.061 283 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 283 Q C 1.520 177.566 176.000 0.076 0.000 0.984 283 Q CA 1.807 57.639 55.803 0.050 0.000 0.846 283 Q CB -0.070 28.681 28.738 0.022 0.000 0.902 283 Q HN 0.251 nan 8.270 nan 0.000 0.421 284 E N 0.566 120.801 120.200 0.059 0.000 2.110 284 E HA -0.176 4.174 4.350 0.000 0.000 0.193 284 E C 1.721 178.412 176.600 0.152 0.000 0.988 284 E CA 0.688 57.146 56.400 0.096 0.000 0.804 284 E CB -0.185 29.561 29.700 0.076 0.000 0.745 284 E HN 0.160 nan 8.360 nan 0.000 0.458 285 L N 0.395 121.689 121.223 0.119 0.000 2.017 285 L HA -0.114 4.226 4.340 0.000 0.000 0.208 285 L C 1.849 178.833 176.870 0.190 0.000 1.073 285 L CA 1.600 56.523 54.840 0.138 0.000 0.745 285 L CB -0.489 41.590 42.059 0.033 0.000 0.894 285 L HN 0.162 nan 8.230 nan 0.000 0.432 286 L N -1.049 120.261 121.223 0.145 0.000 2.042 286 L HA -0.274 4.066 4.340 0.000 0.000 0.210 286 L C 2.615 179.577 176.870 0.155 0.000 1.076 286 L CA 1.697 56.625 54.840 0.147 0.000 0.749 286 L CB -0.805 41.316 42.059 0.104 0.000 0.893 286 L HN 0.445 nan 8.230 nan 0.000 0.432 287 H N -0.408 118.693 119.070 0.051 0.000 2.489 287 H HA -0.139 4.417 4.556 0.000 0.000 0.295 287 H C 1.976 177.285 175.328 -0.031 0.000 1.082 287 H CA 1.781 57.838 56.048 0.014 0.000 1.295 287 H CB 0.146 29.913 29.762 0.008 0.000 1.380 287 H HN 0.183 nan 8.280 nan 0.000 0.548 288 T N -0.768 113.794 114.554 0.013 0.000 3.043 288 T HA -0.051 4.299 4.350 0.000 0.000 0.263 288 T C -0.436 173.941 174.700 -0.538 0.000 1.094 288 T CA 0.702 62.652 62.100 -0.250 0.000 1.127 288 T CB 0.000 68.709 68.868 -0.266 0.000 0.905 288 T HN 0.283 nan 8.240 nan 0.000 0.490 289 Y N 1.973 122.274 120.300 0.001 0.000 2.662 289 Y HA 0.329 4.879 4.550 0.000 0.000 0.358 289 Y C -2.657 173.227 175.900 -0.026 0.000 1.041 289 Y CA -3.331 54.767 58.100 -0.004 0.000 1.184 289 Y CB 0.867 39.346 38.460 0.031 0.000 1.114 289 Y HN -0.014 nan 8.280 nan 0.000 0.650 290 P HA 0.206 nan 4.420 nan 0.000 0.282 290 P C 0.902 178.213 177.300 0.020 0.000 1.262 290 P CA 0.509 63.600 63.100 -0.014 0.000 0.773 290 P CB 1.644 33.286 31.700 -0.097 0.000 0.879 291 G N 3.684 112.499 108.800 0.026 0.000 2.162 291 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 291 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 291 G C 0.426 175.349 174.900 0.038 0.000 0.976 291 G CA 0.116 45.231 45.100 0.025 0.000 0.655 291 G HN 0.649 nan 8.290 nan 0.000 0.533 292 N N -0.917 117.823 118.700 0.067 0.000 2.377 292 N HA 0.308 5.048 4.740 0.000 0.000 0.259 292 N C 1.590 177.123 175.510 0.038 0.000 1.332 292 N CA 0.053 53.137 53.050 0.056 0.000 0.877 292 N CB 0.968 39.509 38.487 0.090 0.000 1.299 292 N HN 0.140 nan 8.380 nan 0.000 0.501 293 V N 0.102 120.044 119.914 0.045 0.000 2.490 293 V HA -0.202 3.918 4.120 0.000 0.000 0.250 293 V C 2.020 178.119 176.094 0.009 0.000 1.061 293 V CA 1.706 64.026 62.300 0.034 0.000 1.064 293 V CB -0.249 31.601 31.823 0.044 0.000 0.670 293 V HN 0.331 nan 8.190 nan 0.000 0.461 294 S N 0.360 116.063 115.700 0.005 0.000 2.419 294 S HA -0.156 4.314 4.470 0.000 0.000 0.235 294 S C 1.714 176.303 174.600 -0.019 0.000 1.019 294 S CA 1.798 59.996 58.200 -0.004 0.000 0.982 294 S CB -0.324 62.874 63.200 -0.003 0.000 0.789 294 S HN 0.863 nan 8.310 nan 0.000 0.490 295 T N -0.509 114.025 114.554 -0.033 0.000 3.215 295 T HA 0.395 4.745 4.350 0.000 0.000 0.271 295 T C 0.764 175.407 174.700 -0.096 0.000 1.012 295 T CA -0.430 61.635 62.100 -0.059 0.000 0.899 295 T CB -0.644 68.188 68.868 -0.060 0.000 1.089 295 T HN 0.572 nan 8.240 nan 0.000 0.552 296 I N -2.089 118.436 120.570 -0.075 0.000 3.927 296 I HA 0.437 4.607 4.170 0.000 0.000 0.332 296 I C -0.096 176.057 176.117 0.061 0.000 1.485 296 I CA -0.895 60.372 61.300 -0.054 0.000 1.131 296 I CB 0.049 37.985 38.000 -0.108 0.000 1.092 296 I HN 0.006 nan 8.210 nan 0.000 0.410 297 Q N 2.141 121.950 119.800 0.015 0.000 2.261 297 Q HA 0.552 4.892 4.340 0.000 0.000 0.252 297 Q C 0.369 176.391 176.000 0.038 0.000 0.915 297 Q CA -0.327 55.499 55.803 0.039 0.000 0.915 297 Q CB 2.053 30.800 28.738 0.015 0.000 1.204 297 Q HN 0.557 nan 8.270 nan 0.000 0.421 298 G N 1.549 110.395 108.800 0.076 0.000 2.511 298 G HA2 0.523 4.483 3.960 0.000 0.000 0.316 298 G HA3 0.523 4.483 3.960 0.000 0.000 0.316 298 G C -0.766 174.157 174.900 0.038 0.000 1.210 298 G CA -0.733 44.406 45.100 0.065 0.000 0.969 298 G HN 0.471 nan 8.290 nan 0.000 0.492 299 R N -0.007 120.511 120.500 0.031 0.000 2.294 299 R HA 0.338 4.679 4.340 0.000 0.000 0.319 299 R C -1.295 175.027 176.300 0.036 0.000 0.984 299 R CA -0.563 55.551 56.100 0.024 0.000 0.861 299 R CB 1.677 31.983 30.300 0.009 0.000 1.104 299 R HN 0.449 nan 8.270 nan 0.000 0.451 300 D N 2.802 123.224 120.400 0.036 0.000 2.464 300 D HA 0.296 4.936 4.640 0.000 0.000 0.243 300 D C 0.942 177.264 176.300 0.037 0.000 1.104 300 D CA 0.480 54.507 54.000 0.045 0.000 0.883 300 D CB 0.797 41.627 40.800 0.050 0.000 1.050 300 D HN 0.644 nan 8.370 nan 0.000 0.524 301 G N 5.001 113.823 108.800 0.036 0.000 2.634 301 G HA2 -0.413 3.547 3.960 0.000 0.000 0.318 301 G HA3 -0.413 3.547 3.960 0.000 0.000 0.318 301 G C 1.021 175.933 174.900 0.019 0.000 1.207 301 G CA 0.808 45.924 45.100 0.027 0.000 0.987 301 G HN 0.665 nan 8.290 nan 0.000 0.547 302 R N 0.760 121.270 120.500 0.017 0.000 2.280 302 R HA 0.372 4.712 4.340 0.000 0.000 0.195 302 R C 0.750 177.057 176.300 0.012 0.000 0.935 302 R CA 0.650 56.757 56.100 0.012 0.000 1.033 302 R CB 0.056 30.362 30.300 0.010 0.000 0.964 302 R HN 0.421 nan 8.270 nan 0.000 0.489 303 K N 1.620 122.031 120.400 0.018 0.000 2.185 303 K HA 0.199 4.519 4.320 0.000 0.000 0.271 303 K C -0.645 175.966 176.600 0.019 0.000 1.013 303 K CA -0.534 55.765 56.287 0.019 0.000 0.943 303 K CB 0.734 33.248 32.500 0.024 0.000 0.998 303 K HN 0.026 nan 8.250 nan 0.000 0.468 304 N N 1.808 120.518 118.700 0.016 0.000 2.424 304 N HA 0.330 5.070 4.740 0.000 0.000 0.271 304 N C -1.139 174.384 175.510 0.022 0.000 0.985 304 N CA -0.459 52.601 53.050 0.016 0.000 0.921 304 N CB 1.766 40.257 38.487 0.007 0.000 1.149 304 N HN 0.373 nan 8.380 nan 0.000 0.492 305 V N -0.891 119.041 119.914 0.030 0.000 3.049 305 V HA 0.552 4.672 4.120 0.000 0.000 0.309 305 V C -0.190 175.928 176.094 0.040 0.000 1.148 305 V CA -0.954 61.366 62.300 0.033 0.000 0.990 305 V CB 1.621 33.467 31.823 0.037 0.000 1.039 305 V HN 0.179 nan 8.190 nan 0.000 0.430 306 V N 4.812 124.746 119.914 0.033 0.000 2.455 306 V HA 0.352 4.472 4.120 0.000 0.000 0.273 306 V C -1.682 174.426 176.094 0.023 0.000 1.045 306 V CA -0.853 61.464 62.300 0.027 0.000 0.976 306 V CB 0.819 32.654 31.823 0.020 0.000 0.993 306 V HN 0.948 nan 8.190 nan 0.000 0.475 307 P HA 0.165 nan 4.420 nan 0.000 0.276 307 P C -0.226 177.084 177.300 0.017 0.000 1.244 307 P CA -0.478 62.633 63.100 0.019 0.000 0.801 307 P CB 0.832 32.548 31.700 0.026 0.000 1.006 308 C N 2.134 121.451 119.300 0.029 0.000 2.605 308 C HA 0.332 4.792 4.460 0.000 0.000 0.404 308 C C 0.091 175.078 174.990 -0.005 0.000 1.284 308 C CA -0.061 58.977 59.018 0.033 0.000 2.199 308 C CB -0.570 27.210 27.740 0.068 0.000 2.647 308 C HN 0.327 nan 8.230 nan 0.000 0.604 309 V N 7.370 127.269 119.914 -0.024 0.000 2.384 309 V HA 0.404 4.524 4.120 0.000 0.000 0.287 309 V C -0.055 176.000 176.094 -0.066 0.000 1.020 309 V CA -0.291 61.923 62.300 -0.142 0.000 0.850 309 V CB 1.324 33.060 31.823 -0.146 0.000 0.987 309 V HN 0.715 nan 8.190 nan 0.000 0.436 310 L N 3.692 124.872 121.223 -0.072 0.000 2.295 310 L HA 0.594 4.934 4.340 0.000 0.000 0.285 310 L C 0.201 177.037 176.870 -0.055 0.000 1.035 310 L CA -0.118 54.744 54.840 0.036 0.000 0.806 310 L CB 1.855 44.014 42.059 0.166 0.000 1.214 310 L HN 0.638 nan 8.230 nan 0.000 0.426 311 S N 2.572 118.280 115.700 0.014 0.000 2.498 311 S HA 0.635 5.105 4.470 0.000 0.000 0.317 311 S C -0.723 173.886 174.600 0.015 0.000 1.090 311 S CA -0.497 57.695 58.200 -0.012 0.000 1.089 311 S CB 1.279 64.499 63.200 0.034 0.000 0.997 311 S HN 0.297 nan 8.310 nan 0.000 0.470 312 V N 4.721 124.605 119.914 -0.050 0.000 2.448 312 V HA 0.636 4.756 4.120 0.000 0.000 0.295 312 V C -0.539 175.576 176.094 0.035 0.000 1.025 312 V CA -0.535 61.748 62.300 -0.027 0.000 0.859 312 V CB 1.841 33.578 31.823 -0.143 0.000 0.988 312 V HN 0.927 nan 8.190 nan 0.000 0.431 313 S N 2.992 118.733 115.700 0.068 0.000 2.733 313 S HA 0.728 5.198 4.470 0.000 0.000 0.294 313 S C 0.105 174.758 174.600 0.089 0.000 1.149 313 S CA -0.601 57.636 58.200 0.063 0.000 1.034 313 S CB 1.788 65.021 63.200 0.054 0.000 1.015 313 S HN 1.039 nan 8.310 nan 0.000 0.486 314 G N 0.670 109.520 108.800 0.084 0.000 2.417 314 G HA2 0.560 4.520 3.960 0.000 0.000 0.334 314 G HA3 0.560 4.520 3.960 0.000 0.000 0.334 314 G C -1.418 173.545 174.900 0.105 0.000 1.150 314 G CA -0.466 44.744 45.100 0.184 0.000 0.923 314 G HN 0.536 nan 8.290 nan 0.000 0.485 315 D N 1.716 122.223 120.400 0.178 0.000 2.443 315 D HA 0.202 4.842 4.640 0.000 0.000 0.221 315 D C 1.475 177.914 176.300 0.232 0.000 1.097 315 D CA -0.562 53.519 54.000 0.135 0.000 0.865 315 D CB 1.586 42.449 40.800 0.105 0.000 1.034 315 D HN -0.024 nan 8.370 nan 0.000 0.511 316 V N 3.707 123.712 119.914 0.152 0.000 2.407 316 V HA -0.197 3.923 4.120 0.000 0.000 0.248 316 V C 1.736 177.969 176.094 0.232 0.000 1.055 316 V CA 1.484 63.895 62.300 0.184 0.000 1.049 316 V CB -0.222 31.619 31.823 0.030 0.000 0.662 316 V HN 0.526 nan 8.190 nan 0.000 0.455 317 D N -0.086 120.450 120.400 0.227 0.000 2.097 317 D HA -0.116 4.524 4.640 0.000 0.000 0.197 317 D C 2.002 178.543 176.300 0.403 0.000 0.984 317 D CA 1.014 55.233 54.000 0.365 0.000 0.826 317 D CB -0.225 40.796 40.800 0.369 0.000 0.973 317 D HN 0.332 nan 8.370 nan 0.000 0.460 318 L N 1.117 122.517 121.223 0.296 0.000 2.141 318 L HA 0.025 4.365 4.340 0.000 0.000 0.209 318 L C 2.206 179.274 176.870 0.330 0.000 1.094 318 L CA 1.663 56.683 54.840 0.301 0.000 0.763 318 L CB -0.839 41.347 42.059 0.212 0.000 0.908 318 L HN 0.033 nan 8.230 nan 0.000 0.437 319 G N -2.053 106.940 108.800 0.322 0.000 2.422 319 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 319 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 319 G C 1.463 176.586 174.900 0.371 0.000 1.146 319 G CA 1.176 46.508 45.100 0.386 0.000 0.769 319 G HN 0.408 nan 8.290 nan 0.000 0.547 320 T N 1.304 116.076 114.554 0.363 0.000 2.746 320 T HA -0.019 4.331 4.350 0.000 0.000 0.267 320 T C 2.427 177.317 174.700 0.317 0.000 1.039 320 T CA 0.833 63.101 62.100 0.281 0.000 1.142 320 T CB -0.180 68.680 68.868 -0.013 0.000 0.866 320 T HN 0.158 nan 8.240 nan 0.000 0.444 321 L N 0.722 122.198 121.223 0.422 0.000 2.083 321 L HA -0.082 4.258 4.340 0.000 0.000 0.209 321 L C 3.039 180.173 176.870 0.440 0.000 1.083 321 L CA 1.141 56.282 54.840 0.501 0.000 0.752 321 L CB -0.687 41.716 42.059 0.573 0.000 0.899 321 L HN 0.235 nan 8.230 nan 0.000 0.433 322 A N -0.412 122.480 122.820 0.120 0.000 1.883 322 A HA -0.252 4.068 4.320 0.000 0.000 0.217 322 A C 2.040 179.231 177.584 -0.655 0.000 1.186 322 A CA 1.665 53.209 52.037 -0.821 0.000 0.624 322 A CB -0.932 17.287 19.000 -1.302 0.000 0.822 322 A HN 0.370 nan 8.150 nan 0.000 0.444 323 Y N 0.129 120.376 120.300 -0.089 0.000 2.274 323 Y HA -0.101 4.449 4.550 0.000 0.000 0.290 323 Y C 2.178 178.064 175.900 -0.022 0.000 1.145 323 Y CA 1.072 59.165 58.100 -0.010 0.000 1.203 323 Y CB -0.573 37.909 38.460 0.035 0.000 0.984 323 Y HN 0.189 nan 8.280 nan 0.000 0.533 324 L N -1.929 119.361 121.223 0.112 0.000 2.017 324 L HA -0.263 4.077 4.340 0.000 0.000 0.208 324 L C 2.065 178.911 176.870 -0.040 0.000 1.073 324 L CA 1.563 56.376 54.840 -0.045 0.000 0.745 324 L CB -0.807 41.196 42.059 -0.092 0.000 0.894 324 L HN 0.179 nan 8.230 nan 0.000 0.432 325 Y N 0.060 120.380 120.300 0.032 0.000 2.181 325 Y HA -0.297 4.253 4.550 0.000 0.000 0.288 325 Y C 2.415 178.388 175.900 0.122 0.000 1.146 325 Y CA 1.877 60.028 58.100 0.085 0.000 1.164 325 Y CB -0.345 38.196 38.460 0.135 0.000 0.982 325 Y HN 0.285 nan 8.280 nan 0.000 0.515 326 D N -0.718 119.800 120.400 0.196 0.000 2.218 326 D HA -0.160 4.480 4.640 0.000 0.000 0.204 326 D C 2.042 178.463 176.300 0.202 0.000 0.976 326 D CA 1.419 55.547 54.000 0.213 0.000 0.853 326 D CB -0.116 40.787 40.800 0.173 0.000 0.939 326 D HN 0.273 nan 8.370 nan 0.000 0.481 327 S N -1.153 114.651 115.700 0.172 0.000 2.527 327 S HA -0.009 4.461 4.470 0.000 0.000 0.222 327 S C 0.603 175.286 174.600 0.138 0.000 0.985 327 S CA -0.624 57.653 58.200 0.129 0.000 0.921 327 S CB -0.486 62.753 63.200 0.065 0.000 0.772 327 S HN 0.228 nan 8.310 nan 0.000 0.529 328 F N 2.608 122.558 119.950 -0.001 0.000 2.412 328 F HA 0.631 5.158 4.527 0.000 0.000 0.348 328 F C 0.048 175.854 175.800 0.011 0.000 1.102 328 F CA -0.485 57.505 58.000 -0.017 0.000 1.196 328 F CB 0.779 39.761 39.000 -0.028 0.000 1.144 328 F HN 0.174 nan 8.300 nan 0.000 0.541 329 Q N 3.859 123.280 119.800 -0.632 0.000 2.426 329 Q HA 0.515 4.855 4.340 0.000 0.000 0.278 329 Q C -1.710 173.951 176.000 -0.565 0.000 1.007 329 Q CA -0.737 54.759 55.803 -0.511 0.000 0.850 329 Q CB 2.400 31.011 28.738 -0.211 0.000 1.427 329 Q HN 0.624 nan 8.270 nan 0.000 0.391 344 K N 1.439 121.839 120.400 0.001 0.000 2.324 344 K HA 0.611 4.931 4.320 0.000 0.000 0.253 344 K C -1.492 175.118 176.600 0.015 0.000 0.932 344 K CA -0.870 55.417 56.287 -0.000 0.000 0.799 344 K CB 3.190 35.777 32.500 0.145 0.000 1.154 344 K HN -0.012 nan 8.250 nan 0.000 0.425 345 V N 4.627 124.525 119.914 -0.027 0.000 2.841 345 V HA 0.469 4.589 4.120 0.000 0.000 0.310 345 V C -1.657 174.455 176.094 0.029 0.000 1.090 345 V CA -0.883 61.420 62.300 0.005 0.000 0.930 345 V CB 1.719 33.526 31.823 -0.027 0.000 1.014 345 V HN 0.640 nan 8.190 nan 0.000 0.425 346 L N 6.448 127.698 121.223 0.046 0.000 2.262 346 L HA 0.555 4.895 4.340 0.000 0.000 0.288 346 L C 0.351 177.225 176.870 0.007 0.000 1.035 346 L CA -0.437 54.419 54.840 0.026 0.000 0.820 346 L CB 1.383 43.405 42.059 -0.060 0.000 1.204 346 L HN 0.577 nan 8.230 nan 0.000 0.424 347 K N 5.426 125.834 120.400 0.013 0.000 2.997 347 K HA 0.344 4.664 4.320 0.000 0.000 0.249 347 K C -0.260 176.357 176.600 0.027 0.000 1.284 347 K CA -0.321 55.970 56.287 0.008 0.000 1.245 347 K CB 0.235 32.739 32.500 0.006 0.000 1.670 347 K HN 0.541 nan 8.250 nan 0.000 0.385 348 L N 1.418 122.651 121.223 0.017 0.000 2.461 348 L HA 0.028 4.368 4.340 0.000 0.000 0.272 348 L C 1.241 178.135 176.870 0.040 0.000 1.197 348 L CA -0.106 54.749 54.840 0.025 0.000 0.836 348 L CB 0.093 42.156 42.059 0.006 0.000 1.105 348 L HN 0.415 nan 8.230 nan 0.000 0.477 349 H N 4.653 123.685 119.070 -0.064 0.000 2.897 349 H HA 0.024 4.580 4.556 0.000 0.000 0.347 349 H C -1.825 173.477 175.328 -0.042 0.000 1.068 349 H CA -1.259 54.765 56.048 -0.040 0.000 1.426 349 H CB 1.546 31.298 29.762 -0.017 0.000 1.410 349 H HN 0.341 nan 8.280 nan 0.000 0.597 350 P HA -0.162 nan 4.420 nan 0.000 0.217 350 P C 1.381 178.723 177.300 0.070 0.000 1.151 350 P CA 1.451 64.510 63.100 -0.068 0.000 0.849 350 P CB 0.017 31.644 31.700 -0.121 0.000 0.787 351 C N -2.177 117.282 119.300 0.265 0.000 2.456 351 C HA 0.060 4.520 4.460 0.000 0.000 0.279 351 C C 2.516 177.476 174.990 -0.049 0.000 1.427 351 C CA 0.519 59.625 59.018 0.145 0.000 1.778 351 C CB -1.625 26.246 27.740 0.218 0.000 1.842 351 C HN 0.211 nan 8.230 nan 0.000 0.531 352 L N -0.084 121.085 121.223 -0.090 0.000 2.500 352 L HA 0.252 4.592 4.340 0.000 0.000 0.219 352 L C 1.553 178.384 176.870 -0.064 0.000 1.057 352 L CA 0.062 54.778 54.840 -0.206 0.000 0.854 352 L CB -0.656 41.157 42.059 -0.410 0.000 1.078 352 L HN 0.097 nan 8.230 nan 0.000 0.480 353 A N 1.794 124.612 122.820 -0.003 0.000 2.546 353 A HA 0.112 4.432 4.320 0.000 0.000 0.243 353 A C -1.474 176.147 177.584 0.062 0.000 1.063 353 A CA -0.746 51.324 52.037 0.055 0.000 0.757 353 A CB -0.241 18.788 19.000 0.048 0.000 0.991 353 A HN 0.042 nan 8.150 nan 0.000 0.503 354 P HA 0.009 nan 4.420 nan 0.000 0.220 354 P C 0.094 177.424 177.300 0.050 0.000 1.152 354 P CA 1.132 64.265 63.100 0.055 0.000 0.812 354 P CB 0.101 31.818 31.700 0.028 0.000 0.792 355 I N -0.110 120.491 120.570 0.052 0.000 2.382 355 I HA 0.223 4.393 4.170 0.000 0.000 0.286 355 I C 1.159 177.305 176.117 0.049 0.000 1.002 355 I CA -0.814 60.519 61.300 0.054 0.000 1.135 355 I CB 2.099 40.116 38.000 0.029 0.000 1.288 355 I HN -0.335 nan 8.210 nan 0.000 0.448 356 K N 4.476 124.920 120.400 0.073 0.000 2.098 356 K HA 0.213 4.533 4.320 0.000 0.000 0.203 356 K C 0.277 176.946 176.600 0.114 0.000 1.051 356 K CA 0.985 57.330 56.287 0.097 0.000 0.957 356 K CB 0.173 32.743 32.500 0.117 0.000 0.738 356 K HN 0.415 nan 8.250 nan 0.000 0.447 357 V N -0.207 119.765 119.914 0.097 0.000 2.971 357 V HA 0.680 4.800 4.120 0.000 0.000 0.309 357 V C -1.057 175.065 176.094 0.047 0.000 1.130 357 V CA -1.531 60.827 62.300 0.096 0.000 0.964 357 V CB 1.919 33.814 31.823 0.120 0.000 1.029 357 V HN 0.120 nan 8.190 nan 0.000 0.427 358 A N 3.861 126.662 122.820 -0.032 0.000 2.343 358 A HA 0.933 5.253 4.320 0.000 0.000 0.316 358 A C -1.077 176.558 177.584 0.084 0.000 1.104 358 A CA -0.553 51.439 52.037 -0.074 0.000 0.768 358 A CB 1.109 19.652 19.000 -0.760 0.000 1.213 358 A HN 0.815 nan 8.150 nan 0.000 0.456 359 L N 2.639 123.989 121.223 0.212 0.000 2.313 359 L HA 0.538 4.878 4.340 0.000 0.000 0.283 359 L C -0.835 176.243 176.870 0.347 0.000 1.013 359 L CA -0.621 54.361 54.840 0.236 0.000 0.816 359 L CB 1.719 43.900 42.059 0.203 0.000 1.236 359 L HN 0.663 nan 8.230 nan 0.000 0.419 360 D N 1.505 122.067 120.400 0.270 0.000 2.523 360 D HA 0.599 5.239 4.640 0.000 0.000 0.236 360 D C -0.969 175.430 176.300 0.166 0.000 1.094 360 D CA -0.210 53.954 54.000 0.273 0.000 0.942 360 D CB 3.446 44.414 40.800 0.281 0.000 1.447 360 D HN 0.249 nan 8.370 nan 0.000 0.479 361 V N -1.951 118.054 119.914 0.152 0.000 2.715 361 V HA 0.937 5.057 4.120 0.000 0.000 0.310 361 V C 0.347 176.484 176.094 0.070 0.000 1.054 361 V CA -0.406 61.945 62.300 0.085 0.000 0.928 361 V CB 1.451 33.321 31.823 0.078 0.000 1.007 361 V HN 0.641 nan 8.190 nan 0.000 0.437 362 G N 1.409 110.236 108.800 0.045 0.000 3.310 362 G HA2 0.456 4.416 3.960 0.000 0.000 0.176 362 G HA3 0.456 4.416 3.960 0.000 0.000 0.176 362 G C 0.076 174.991 174.900 0.025 0.000 1.307 362 G CA -0.428 44.692 45.100 0.034 0.000 0.935 362 G HN 0.973 nan 8.290 nan 0.000 0.628 363 K N -1.304 119.107 120.400 0.017 0.000 2.449 363 K HA -0.272 4.048 4.320 0.000 0.000 0.110 363 K C 1.568 178.175 176.600 0.012 0.000 1.308 363 K CA 1.352 57.646 56.287 0.012 0.000 0.716 363 K CB -1.240 31.265 32.500 0.007 0.000 0.474 363 K HN 0.575 nan 8.250 nan 0.000 1.048 364 G N 0.484 109.290 108.800 0.009 0.000 2.692 364 G HA2 0.078 4.038 3.960 0.000 0.000 0.209 364 G HA3 0.078 4.038 3.960 0.000 0.000 0.209 364 G C -1.961 172.945 174.900 0.009 0.000 1.166 364 G CA -0.026 45.079 45.100 0.009 0.000 0.844 364 G HN 0.380 nan 8.290 nan 0.000 0.596 365 P HA 0.238 nan 4.420 nan 0.000 0.252 365 P C 0.824 178.129 177.300 0.009 0.000 1.694 365 P CA 0.218 63.322 63.100 0.005 0.000 1.163 365 P CB 0.278 31.978 31.700 0.000 0.000 1.934 366 T N 0.500 115.063 114.554 0.015 0.000 2.592 366 T HA -0.176 4.174 4.350 0.000 0.000 0.267 366 T C 1.776 176.491 174.700 0.025 0.000 1.060 366 T CA 1.653 63.768 62.100 0.025 0.000 1.167 366 T CB -0.552 68.331 68.868 0.025 0.000 0.863 366 T HN 0.068 nan 8.240 nan 0.000 0.431 367 V N 1.163 121.087 119.914 0.018 0.000 2.490 367 V HA -0.143 3.977 4.120 0.000 0.000 0.250 367 V C 2.348 178.446 176.094 0.007 0.000 1.061 367 V CA 1.754 64.064 62.300 0.016 0.000 1.064 367 V CB -0.571 31.259 31.823 0.012 0.000 0.670 367 V HN 0.569 nan 8.190 nan 0.000 0.461 368 E N -0.424 119.776 120.200 -0.000 0.000 2.190 368 E HA 0.017 4.367 4.350 0.000 0.000 0.191 368 E C 2.201 178.786 176.600 -0.024 0.000 0.978 368 E CA 0.460 56.853 56.400 -0.011 0.000 0.839 368 E CB -0.027 29.667 29.700 -0.010 0.000 0.787 368 E HN 0.461 nan 8.360 nan 0.000 0.473 369 L N 0.637 121.849 121.223 -0.019 0.000 2.056 369 L HA -0.135 4.205 4.340 0.000 0.000 0.207 369 L C 2.489 179.318 176.870 -0.067 0.000 1.078 369 L CA 1.168 55.987 54.840 -0.034 0.000 0.749 369 L CB -0.272 41.780 42.059 -0.011 0.000 0.901 369 L HN 0.053 nan 8.230 nan 0.000 0.433 370 R N -0.466 120.017 120.500 -0.028 0.000 2.092 370 R HA -0.154 4.186 4.340 0.000 0.000 0.231 370 R C 2.339 178.584 176.300 -0.092 0.000 1.119 370 R CA 1.108 57.188 56.100 -0.033 0.000 0.970 370 R CB -0.195 30.167 30.300 0.103 0.000 0.864 370 R HN 0.432 nan 8.270 nan 0.000 0.440 371 Q N -0.014 119.757 119.800 -0.049 0.000 2.096 371 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 371 Q C 2.133 178.080 176.000 -0.088 0.000 0.982 371 Q CA 1.669 57.443 55.803 -0.047 0.000 0.850 371 Q CB 0.015 28.738 28.738 -0.026 0.000 0.901 371 Q HN 0.188 nan 8.270 nan 0.000 0.422 372 V N -0.253 119.599 119.914 -0.104 0.000 2.427 372 V HA -0.298 3.822 4.120 0.000 0.000 0.248 372 V C 2.277 178.260 176.094 -0.184 0.000 1.051 372 V CA 1.316 63.546 62.300 -0.116 0.000 1.048 372 V CB -0.487 31.276 31.823 -0.100 0.000 0.666 372 V HN 0.513 nan 8.190 nan 0.000 0.456 373 C N -0.782 118.328 119.300 -0.316 0.000 2.429 373 C HA -0.148 4.312 4.460 0.000 0.000 0.277 373 C C 2.913 177.606 174.990 -0.495 0.000 1.262 373 C CA 0.777 59.451 59.018 -0.574 0.000 1.733 373 C CB -0.896 26.113 27.740 -1.218 0.000 2.010 373 C HN 0.554 nan 8.230 nan 0.000 0.483 374 Q N 0.251 119.850 119.800 -0.334 0.000 2.050 374 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 374 Q C 2.476 178.447 176.000 -0.048 0.000 0.980 374 Q CA 2.097 57.853 55.803 -0.079 0.000 0.840 374 Q CB -0.887 27.861 28.738 0.016 0.000 0.898 374 Q HN 0.766 nan 8.270 nan 0.000 0.424 375 G N 1.201 109.963 108.800 -0.063 0.000 2.446 375 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 375 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 375 G C 1.469 176.349 174.900 -0.033 0.000 1.168 375 G CA 0.935 46.014 45.100 -0.037 0.000 0.771 375 G HN 0.324 nan 8.290 nan 0.000 0.551 376 L N 0.239 121.426 121.223 -0.059 0.000 2.056 376 L HA 0.127 4.467 4.340 0.000 0.000 0.207 376 L C 2.565 179.427 176.870 -0.014 0.000 1.078 376 L CA 1.629 56.444 54.840 -0.041 0.000 0.749 376 L CB -0.630 41.389 42.059 -0.067 0.000 0.901 376 L HN 0.221 nan 8.230 nan 0.000 0.433 377 L N -0.022 121.194 121.223 -0.012 0.000 2.012 377 L HA -0.255 4.085 4.340 0.000 0.000 0.210 377 L C 2.271 179.164 176.870 0.038 0.000 1.073 377 L CA 1.924 56.792 54.840 0.047 0.000 0.748 377 L CB -0.862 41.269 42.059 0.120 0.000 0.891 377 L HN 0.366 nan 8.230 nan 0.000 0.431 378 N N -0.053 118.663 118.700 0.026 0.000 2.061 378 N HA -0.277 4.463 4.740 0.000 0.000 0.193 378 N C 1.811 177.333 175.510 0.020 0.000 1.030 378 N CA 1.841 54.904 53.050 0.022 0.000 0.856 378 N CB -0.360 38.136 38.487 0.015 0.000 1.023 378 N HN 0.581 nan 8.380 nan 0.000 0.424 379 E N 0.734 120.943 120.200 0.015 0.000 2.051 379 E HA -0.114 4.236 4.350 0.000 0.000 0.192 379 E C 2.064 178.678 176.600 0.024 0.000 0.991 379 E CA 0.756 57.166 56.400 0.017 0.000 0.799 379 E CB -0.049 29.660 29.700 0.013 0.000 0.748 379 E HN 0.258 nan 8.360 nan 0.000 0.449 380 L N 0.579 121.818 121.223 0.028 0.000 1.994 380 L HA -0.215 4.125 4.340 0.000 0.000 0.208 380 L C 2.701 179.594 176.870 0.037 0.000 1.071 380 L CA 0.962 55.824 54.840 0.036 0.000 0.745 380 L CB -0.577 41.508 42.059 0.044 0.000 0.892 380 L HN 0.276 nan 8.230 nan 0.000 0.431 381 L N -0.198 121.047 121.223 0.037 0.000 1.990 381 L HA -0.263 4.077 4.340 0.000 0.000 0.213 381 L C 2.552 179.440 176.870 0.029 0.000 1.072 381 L CA 1.585 56.445 54.840 0.034 0.000 0.755 381 L CB -0.650 41.427 42.059 0.031 0.000 0.889 381 L HN 0.328 nan 8.230 nan 0.000 0.432 382 E N -0.135 120.080 120.200 0.026 0.000 2.209 382 E HA -0.200 4.150 4.350 0.000 0.000 0.196 382 E C 1.435 178.050 176.600 0.025 0.000 0.993 382 E CA 0.873 57.287 56.400 0.023 0.000 0.819 382 E CB -0.122 29.590 29.700 0.020 0.000 0.745 382 E HN 0.490 nan 8.360 nan 0.000 0.477 383 N N -0.359 118.358 118.700 0.028 0.000 2.322 383 N HA 0.006 4.746 4.740 0.000 0.000 0.194 383 N C 0.570 176.100 175.510 0.033 0.000 1.126 383 N CA 0.636 53.703 53.050 0.029 0.000 0.845 383 N CB 1.146 39.650 38.487 0.028 0.000 0.976 383 N HN 0.214 nan 8.380 nan 0.000 0.475 384 G N 1.515 110.336 108.800 0.034 0.000 2.160 384 G HA2 -0.266 3.694 3.960 0.000 0.000 0.251 384 G HA3 -0.266 3.694 3.960 0.000 0.000 0.251 384 G C -0.001 174.925 174.900 0.043 0.000 1.008 384 G CA -0.104 45.019 45.100 0.037 0.000 0.724 384 G HN 0.309 nan 8.290 nan 0.000 0.514 385 I N 1.952 122.549 120.570 0.046 0.000 2.331 385 I HA 0.368 4.538 4.170 0.000 0.000 0.292 385 I C 1.064 177.217 176.117 0.060 0.000 0.998 385 I CA -0.436 60.898 61.300 0.055 0.000 1.267 385 I CB 1.632 39.666 38.000 0.056 0.000 1.386 385 I HN 0.307 nan 8.210 nan 0.000 0.476 386 S N 6.039 121.779 115.700 0.066 0.000 2.531 386 S HA 0.549 5.019 4.470 0.000 0.000 0.279 386 S C -0.393 174.262 174.600 0.091 0.000 1.305 386 S CA -0.684 57.560 58.200 0.072 0.000 1.058 386 S CB 1.164 64.406 63.200 0.070 0.000 0.899 386 S HN 0.346 nan 8.310 nan 0.000 0.493 387 V N 3.765 123.739 119.914 0.100 0.000 2.709 387 V HA 0.430 4.550 4.120 0.000 0.000 0.308 387 V C -0.736 175.464 176.094 0.176 0.000 1.062 387 V CA -0.878 61.499 62.300 0.128 0.000 0.901 387 V CB 1.904 33.791 31.823 0.108 0.000 1.003 387 V HN 1.037 nan 8.190 nan 0.000 0.425 388 W N 7.516 128.802 121.300 -0.024 0.000 2.316 388 W HA 0.421 5.081 4.660 0.000 0.000 0.308 388 W C -2.503 174.022 176.519 0.009 0.000 1.106 388 W CA -2.419 54.907 57.345 -0.032 0.000 1.262 388 W CB 2.257 31.664 29.460 -0.088 0.000 1.233 388 W HN 0.395 nan 8.180 nan 0.000 0.447 389 P HA 0.112 nan 4.420 nan 0.000 0.225 389 P C 1.019 178.041 177.300 -0.463 0.000 1.813 389 P CA 0.176 63.085 63.100 -0.318 0.000 1.013 389 P CB 0.130 31.523 31.700 -0.511 0.000 1.961 390 G N 2.115 110.934 108.800 0.032 0.000 2.442 390 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 390 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 390 G C 1.133 176.081 174.900 0.080 0.000 1.141 390 G CA 0.503 45.742 45.100 0.231 0.000 0.763 390 G HN 0.439 nan 8.290 nan 0.000 0.554 391 Y N 0.251 120.596 120.300 0.076 0.000 2.569 391 Y HA 0.155 4.705 4.550 0.000 0.000 0.293 391 Y C 2.550 178.452 175.900 0.004 0.000 1.144 391 Y CA 0.604 58.730 58.100 0.043 0.000 1.321 391 Y CB -0.602 37.876 38.460 0.031 0.000 0.982 391 Y HN 0.109 nan 8.280 nan 0.000 0.558 392 S N -0.137 115.144 115.700 -0.699 0.000 2.368 392 S HA -0.160 4.310 4.470 0.000 0.000 0.224 392 S C 0.716 175.192 174.600 -0.208 0.000 1.029 392 S CA 0.840 58.737 58.200 -0.505 0.000 0.988 392 S CB -0.340 62.518 63.200 -0.570 0.000 0.838 392 S HN 0.548 nan 8.310 nan 0.000 0.462 393 E N 2.185 122.295 120.200 -0.150 0.000 2.238 393 E HA 0.243 4.593 4.350 0.000 0.000 0.264 393 E C 0.033 176.625 176.600 -0.013 0.000 1.136 393 E CA 0.174 56.540 56.400 -0.057 0.000 0.929 393 E CB 0.037 29.735 29.700 -0.003 0.000 1.010 393 E HN 0.337 nan 8.360 nan 0.000 0.440 394 T N 3.665 118.212 114.554 -0.012 0.000 2.759 394 T HA 0.416 4.766 4.350 0.000 0.000 0.273 394 T C 0.140 174.847 174.700 0.011 0.000 0.938 394 T CA 0.579 62.684 62.100 0.007 0.000 1.197 394 T CB -0.702 68.168 68.868 0.003 0.000 0.887 394 T HN 0.520 nan 8.240 nan 0.000 0.540 395 V N 0.784 120.710 119.914 0.021 0.000 3.158 395 V HA 0.930 5.050 4.120 0.000 0.000 0.311 395 V C 0.285 176.389 176.094 0.017 0.000 1.181 395 V CA -0.405 61.908 62.300 0.021 0.000 1.054 395 V CB 1.272 33.114 31.823 0.032 0.000 1.085 395 V HN 1.212 nan 8.190 nan 0.000 0.446 396 H N 0.927 120.003 119.070 0.011 0.000 2.587 396 H HA 0.697 5.253 4.556 0.000 0.000 0.245 396 H C 0.458 175.783 175.328 -0.005 0.000 1.238 396 H CA 0.295 56.346 56.048 0.004 0.000 0.963 396 H CB -0.051 29.713 29.762 0.003 0.000 1.904 396 H HN 1.324 nan 8.280 nan 0.000 0.584 397 S N 0.508 116.203 115.700 -0.008 0.000 2.475 397 S HA 0.442 4.912 4.470 0.000 0.000 0.281 397 S C 0.546 175.116 174.600 -0.050 0.000 1.198 397 S CA 0.075 58.257 58.200 -0.031 0.000 1.063 397 S CB 1.327 64.504 63.200 -0.037 0.000 0.972 397 S HN 0.816 nan 8.310 nan 0.000 0.486 398 S N 3.367 119.031 115.700 -0.059 0.000 2.572 398 S HA 0.119 4.589 4.470 0.000 0.000 0.279 398 S C 1.126 175.648 174.600 -0.130 0.000 1.341 398 S CA -0.814 57.343 58.200 -0.071 0.000 1.043 398 S CB 0.230 63.396 63.200 -0.056 0.000 0.887 398 S HN 0.744 nan 8.310 nan 0.000 0.516 399 L N 3.823 124.959 121.223 -0.144 0.000 2.013 399 L HA -0.044 4.296 4.340 0.000 0.000 0.212 399 L C 2.255 178.897 176.870 -0.380 0.000 1.073 399 L CA 2.093 56.765 54.840 -0.279 0.000 0.753 399 L CB -1.470 40.486 42.059 -0.171 0.000 0.890 399 L HN 0.826 nan 8.230 nan 0.000 0.432 400 E N -1.056 119.047 120.200 -0.161 0.000 2.150 400 E HA -0.200 4.150 4.350 0.000 0.000 0.193 400 E C 2.222 178.768 176.600 -0.090 0.000 0.985 400 E CA 1.008 57.366 56.400 -0.070 0.000 0.814 400 E CB -0.216 29.476 29.700 -0.013 0.000 0.752 400 E HN 0.567 nan 8.360 nan 0.000 0.466 401 Q N -0.326 119.403 119.800 -0.119 0.000 2.079 401 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 401 Q C 1.907 177.788 176.000 -0.197 0.000 0.974 401 Q CA 0.668 56.402 55.803 -0.115 0.000 0.840 401 Q CB -0.066 28.616 28.738 -0.092 0.000 0.898 401 Q HN 0.173 nan 8.270 nan 0.000 0.430 402 L N 0.082 121.126 121.223 -0.299 0.000 2.042 402 L HA -0.212 4.128 4.340 0.000 0.000 0.210 402 L C 1.830 178.391 176.870 -0.515 0.000 1.076 402 L CA 1.993 56.532 54.840 -0.501 0.000 0.749 402 L CB -0.581 41.199 42.059 -0.465 0.000 0.893 402 L HN 0.319 nan 8.230 nan 0.000 0.432 403 H N -1.924 117.029 119.070 -0.196 0.000 2.389 403 H HA -0.086 4.470 4.556 0.000 0.000 0.299 403 H C 2.298 177.589 175.328 -0.061 0.000 1.081 403 H CA 1.020 57.028 56.048 -0.067 0.000 1.345 403 H CB 0.110 29.873 29.762 0.000 0.000 1.393 403 H HN 0.452 nan 8.280 nan 0.000 0.520 404 S N 0.951 116.669 115.700 0.030 0.000 2.382 404 S HA -0.200 4.270 4.470 0.000 0.000 0.228 404 S C 1.977 176.570 174.600 -0.011 0.000 1.027 404 S CA 1.312 59.520 58.200 0.013 0.000 0.991 404 S CB -0.093 63.105 63.200 -0.003 0.000 0.823 404 S HN 0.375 nan 8.310 nan 0.000 0.469 405 K N 0.193 120.532 120.400 -0.102 0.000 2.025 405 K HA -0.123 4.197 4.320 0.000 0.000 0.207 405 K C 1.943 178.544 176.600 0.001 0.000 1.049 405 K CA 1.383 57.605 56.287 -0.109 0.000 0.933 405 K CB -0.397 31.960 32.500 -0.238 0.000 0.714 405 K HN 0.320 nan 8.250 nan 0.000 0.438 406 Y N 2.067 122.343 120.300 -0.040 0.000 2.165 406 Y HA -0.215 4.335 4.550 0.000 0.000 0.286 406 Y C 2.036 177.921 175.900 -0.026 0.000 1.155 406 Y CA 1.253 59.318 58.100 -0.059 0.000 1.164 406 Y CB -0.855 37.608 38.460 0.005 0.000 0.978 406 Y HN 0.253 nan 8.280 nan 0.000 0.513 407 D N -0.032 120.463 120.400 0.157 0.000 2.144 407 D HA -0.097 4.543 4.640 0.000 0.000 0.199 407 D C 0.887 177.238 176.300 0.085 0.000 0.984 407 D CA 0.878 54.928 54.000 0.084 0.000 0.834 407 D CB -0.212 40.618 40.800 0.051 0.000 0.955 407 D HN 0.439 nan 8.370 nan 0.000 0.465 411 V N 3.982 123.902 119.914 0.010 0.000 2.625 411 V HA -0.014 4.106 4.120 0.000 0.000 0.305 411 V C 1.672 177.704 176.094 -0.103 0.000 1.055 411 V CA 0.915 63.179 62.300 -0.061 0.000 1.209 411 V CB 0.354 32.077 31.823 -0.166 0.000 0.877 411 V HN 0.528 nan 8.190 nan 0.000 0.489 412 L N 4.752 125.894 121.223 -0.135 0.000 2.044 412 L HA 0.092 4.432 4.340 0.000 0.000 0.205 412 L C 0.236 176.659 176.870 -0.746 0.000 1.075 412 L CA 1.561 56.172 54.840 -0.382 0.000 0.747 412 L CB -0.130 41.761 42.059 -0.280 0.000 0.903 412 L HN 0.462 nan 8.230 nan 0.000 0.435 413 F N -1.128 118.786 119.950 -0.060 0.000 2.569 413 F HA 0.339 4.866 4.527 0.000 0.000 0.312 413 F C -0.060 175.717 175.800 -0.038 0.000 1.109 413 F CA -0.956 57.015 58.000 -0.048 0.000 0.919 413 F CB 1.828 40.812 39.000 -0.027 0.000 1.211 413 F HN -0.270 nan 8.300 nan 0.000 0.446 414 S N 1.281 117.085 115.700 0.173 0.000 2.501 414 S HA 0.893 5.363 4.470 0.000 0.000 0.301 414 S C -1.084 173.619 174.600 0.172 0.000 1.096 414 S CA -0.809 57.487 58.200 0.160 0.000 1.063 414 S CB 1.902 65.286 63.200 0.307 0.000 1.042 414 S HN 0.362 nan 8.310 nan 0.000 0.494 415 V N 2.896 122.902 119.914 0.153 0.000 2.555 415 V HA 0.574 4.694 4.120 0.000 0.000 0.302 415 V C -0.880 175.289 176.094 0.124 0.000 1.038 415 V CA -0.728 61.635 62.300 0.106 0.000 0.887 415 V CB 1.558 33.419 31.823 0.063 0.000 0.991 415 V HN 0.864 nan 8.190 nan 0.000 0.434 416 L N 5.962 127.242 121.223 0.094 0.000 2.349 416 L HA 0.699 5.039 4.340 0.000 0.000 0.278 416 L C -0.654 176.236 176.870 0.032 0.000 0.996 416 L CA -0.036 54.857 54.840 0.089 0.000 0.825 416 L CB 1.810 43.935 42.059 0.110 0.000 1.243 416 L HN 0.447 nan 8.230 nan 0.000 0.412 417 V N 4.295 124.220 119.914 0.018 0.000 2.398 417 V HA 0.759 4.879 4.120 0.000 0.000 0.286 417 V C 0.324 176.413 176.094 -0.009 0.000 1.026 417 V CA -0.026 62.262 62.300 -0.019 0.000 0.868 417 V CB 1.451 33.242 31.823 -0.053 0.000 0.982 417 V HN 0.944 nan 8.190 nan 0.000 0.443 418 T N 0.001 114.545 114.554 -0.017 0.000 2.716 418 T HA 0.434 4.784 4.350 0.000 0.000 0.286 418 T C 0.813 175.503 174.700 -0.017 0.000 1.052 418 T CA -0.578 61.517 62.100 -0.009 0.000 1.024 418 T CB 1.766 70.633 68.868 -0.001 0.000 1.349 418 T HN 0.451 nan 8.240 nan 0.000 0.525 419 E N 0.306 120.500 120.200 -0.010 0.000 2.070 419 E HA -0.189 4.162 4.350 0.000 0.000 0.197 419 E C 2.024 178.614 176.600 -0.016 0.000 1.004 419 E CA 2.146 58.540 56.400 -0.011 0.000 0.805 419 E CB -0.543 29.155 29.700 -0.005 0.000 0.744 419 E HN 0.711 nan 8.360 nan 0.000 0.451 420 T N 0.331 114.877 114.554 -0.015 0.000 2.685 420 T HA -0.201 4.149 4.350 0.000 0.000 0.268 420 T C 1.909 176.590 174.700 -0.032 0.000 1.034 420 T CA 1.925 64.014 62.100 -0.018 0.000 1.149 420 T CB -0.524 68.334 68.868 -0.015 0.000 0.860 420 T HN 0.253 nan 8.240 nan 0.000 0.449 421 T N 2.372 116.899 114.554 -0.044 0.000 2.720 421 T HA 0.011 4.361 4.350 0.000 0.000 0.268 421 T C 1.962 176.624 174.700 -0.064 0.000 1.037 421 T CA 0.888 62.945 62.100 -0.072 0.000 1.144 421 T CB -0.485 68.336 68.868 -0.078 0.000 0.864 421 T HN 0.298 nan 8.240 nan 0.000 0.444 422 L N 0.434 121.631 121.223 -0.043 0.000 2.187 422 L HA -0.120 4.220 4.340 0.000 0.000 0.213 422 L C 2.605 179.462 176.870 -0.022 0.000 1.100 422 L CA 1.389 56.209 54.840 -0.032 0.000 0.765 422 L CB -0.473 41.572 42.059 -0.023 0.000 0.904 422 L HN 0.392 nan 8.230 nan 0.000 0.437 423 E N -0.836 119.353 120.200 -0.019 0.000 2.079 423 E HA -0.098 4.252 4.350 0.000 0.000 0.191 423 E C 1.711 178.311 176.600 -0.001 0.000 0.961 423 E CA 0.460 56.856 56.400 -0.007 0.000 0.823 423 E CB 0.036 29.733 29.700 -0.005 0.000 0.789 423 E HN 0.280 nan 8.360 nan 0.000 0.459 424 N N -0.622 118.073 118.700 -0.009 0.000 2.387 424 N HA -0.045 4.695 4.740 0.000 0.000 0.176 424 N C 1.200 176.701 175.510 -0.014 0.000 1.022 424 N CA 1.335 54.388 53.050 0.006 0.000 0.883 424 N CB 1.090 39.577 38.487 -0.001 0.000 1.019 424 N HN 0.272 nan 8.380 nan 0.000 0.435 425 G N 0.185 108.918 108.800 -0.111 0.000 2.194 425 G HA2 -0.203 3.757 3.960 0.000 0.000 0.236 425 G HA3 -0.203 3.757 3.960 0.000 0.000 0.236 425 G C -0.086 174.543 174.900 -0.453 0.000 0.987 425 G CA 0.128 45.043 45.100 -0.309 0.000 0.635 425 G HN 0.258 nan 8.290 nan 0.000 0.520 426 L N 1.877 122.959 121.223 -0.236 0.000 2.426 426 L HA 0.612 4.952 4.340 0.000 0.000 0.271 426 L C 1.174 177.965 176.870 -0.132 0.000 1.169 426 L CA -0.401 54.339 54.840 -0.167 0.000 0.836 426 L CB 0.734 42.752 42.059 -0.068 0.000 1.112 426 L HN 0.407 nan 8.230 nan 0.000 0.465 427 I N 0.036 120.536 120.570 -0.117 0.000 2.846 427 I HA 0.487 4.657 4.170 0.000 0.000 0.307 427 I C -0.735 175.348 176.117 -0.057 0.000 1.053 427 I CA -0.961 60.292 61.300 -0.078 0.000 1.050 427 I CB 1.948 39.900 38.000 -0.080 0.000 1.239 427 I HN 0.574 nan 8.210 nan 0.000 0.439 428 Q N 3.088 122.874 119.800 -0.023 0.000 2.303 428 Q HA 0.489 4.829 4.340 0.000 0.000 0.257 428 Q C -1.783 174.218 176.000 0.002 0.000 0.941 428 Q CA -0.794 55.004 55.803 -0.009 0.000 0.931 428 Q CB 1.902 30.655 28.738 0.025 0.000 1.215 428 Q HN 0.686 nan 8.270 nan 0.000 0.437 429 L N 4.712 125.917 121.223 -0.030 0.000 2.287 429 L HA 0.491 4.831 4.340 0.000 0.000 0.287 429 L C -1.061 175.821 176.870 0.019 0.000 1.022 429 L CA -0.097 54.731 54.840 -0.021 0.000 0.814 429 L CB 1.417 43.388 42.059 -0.146 0.000 1.217 429 L HN 0.640 nan 8.230 nan 0.000 0.420 430 R N 3.080 123.618 120.500 0.062 0.000 2.387 430 R HA 0.533 4.873 4.340 0.000 0.000 0.314 430 R C -0.800 175.543 176.300 0.072 0.000 0.958 430 R CA -0.365 55.736 56.100 0.001 0.000 0.846 430 R CB 1.530 31.722 30.300 -0.180 0.000 1.147 430 R HN 0.734 nan 8.270 nan 0.000 0.447 431 S N 3.254 118.976 115.700 0.037 0.000 2.513 431 S HA 0.108 4.578 4.470 0.000 0.000 0.276 431 S C 1.215 175.697 174.600 -0.196 0.000 1.254 431 S CA -0.584 57.549 58.200 -0.111 0.000 1.053 431 S CB 1.387 64.583 63.200 -0.008 0.000 0.958 431 S HN 0.852 nan 8.310 nan 0.000 0.491 432 R N 2.999 123.310 120.500 -0.315 0.000 2.081 432 R HA -0.116 4.225 4.340 0.000 0.000 0.235 432 R C 0.694 176.908 176.300 -0.145 0.000 1.131 432 R CA 2.069 58.051 56.100 -0.196 0.000 0.960 432 R CB -0.397 29.774 30.300 -0.214 0.000 0.856 432 R HN 0.703 nan 8.270 nan 0.000 0.436 433 D N -0.534 119.766 120.400 -0.167 0.000 2.149 433 D HA -0.099 4.541 4.640 0.000 0.000 0.201 433 D C 1.798 178.066 176.300 -0.053 0.000 0.972 433 D CA 2.059 56.005 54.000 -0.090 0.000 0.835 433 D CB 0.044 40.805 40.800 -0.065 0.000 0.966 433 D HN 0.501 nan 8.370 nan 0.000 0.476 434 T N -4.007 110.519 114.554 -0.047 0.000 3.000 434 T HA 0.185 4.535 4.350 0.000 0.000 0.248 434 T C 0.633 175.312 174.700 -0.034 0.000 1.034 434 T CA 0.525 62.610 62.100 -0.025 0.000 1.060 434 T CB 0.722 69.590 68.868 -0.000 0.000 0.983 434 T HN -0.003 nan 8.240 nan 0.000 0.482 442 I N 3.746 124.086 120.570 -0.383 0.000 2.381 442 I HA -0.247 3.923 4.170 0.000 0.000 0.255 442 I C 1.984 178.111 176.117 0.017 0.000 1.140 442 I CA 2.382 63.582 61.300 -0.168 0.000 1.404 442 I CB -0.727 37.140 38.000 -0.222 0.000 1.075 442 I HN 0.582 nan 8.210 nan 0.000 0.433 443 S N -0.901 114.938 115.700 0.231 0.000 2.561 443 S HA -0.028 4.442 4.470 0.000 0.000 0.225 443 S C 1.669 176.343 174.600 0.123 0.000 0.977 443 S CA 0.198 58.513 58.200 0.192 0.000 0.926 443 S CB -0.125 63.211 63.200 0.227 0.000 0.769 443 S HN 0.467 nan 8.310 nan 0.000 0.533 444 K N -0.059 120.416 120.400 0.125 0.000 2.354 444 K HA 0.317 4.637 4.320 0.000 0.000 0.194 444 K C 1.499 178.144 176.600 0.075 0.000 1.038 444 K CA -0.024 56.311 56.287 0.080 0.000 1.052 444 K CB -0.070 32.468 32.500 0.065 0.000 0.861 444 K HN 0.217 nan 8.250 nan 0.000 0.535 445 L N 2.132 123.385 121.223 0.050 0.000 1.989 445 L HA -0.180 4.160 4.340 0.000 0.000 0.211 445 L C 2.440 179.364 176.870 0.091 0.000 1.071 445 L CA 1.759 56.630 54.840 0.053 0.000 0.749 445 L CB -0.360 41.703 42.059 0.007 0.000 0.890 445 L HN 0.078 nan 8.230 nan 0.000 0.431 446 R N -0.324 120.212 120.500 0.060 0.000 2.083 446 R HA -0.194 4.146 4.340 0.000 0.000 0.237 446 R C 1.831 178.160 176.300 0.049 0.000 1.137 446 R CA 2.203 58.331 56.100 0.048 0.000 0.951 446 R CB -0.800 29.521 30.300 0.036 0.000 0.851 446 R HN 0.452 nan 8.270 nan 0.000 0.434 447 D N -0.001 120.436 120.400 0.062 0.000 2.117 447 D HA -0.156 4.484 4.640 0.000 0.000 0.198 447 D C 1.668 178.006 176.300 0.063 0.000 0.982 447 D CA 1.005 55.037 54.000 0.054 0.000 0.828 447 D CB -0.492 40.343 40.800 0.058 0.000 0.967 447 D HN 0.212 nan 8.370 nan 0.000 0.464 448 F N 1.602 121.530 119.950 -0.037 0.000 2.095 448 F HA -0.184 4.343 4.527 0.000 0.000 0.298 448 F C 2.073 177.837 175.800 -0.061 0.000 1.104 448 F CA 1.338 59.299 58.000 -0.065 0.000 1.232 448 F CB -0.432 38.485 39.000 -0.138 0.000 0.987 448 F HN -0.117 nan 8.300 nan 0.000 0.475 449 L N -0.794 120.291 121.223 -0.229 0.000 2.072 449 L HA -0.171 4.169 4.340 0.000 0.000 0.205 449 L C 2.432 179.223 176.870 -0.131 0.000 1.079 449 L CA 0.864 55.533 54.840 -0.285 0.000 0.752 449 L CB -0.981 41.033 42.059 -0.075 0.000 0.906 449 L HN 0.004 nan 8.230 nan 0.000 0.436 450 V N 0.210 120.088 119.914 -0.062 0.000 2.287 450 V HA -0.319 3.801 4.120 0.000 0.000 0.248 450 V C 2.534 178.603 176.094 -0.042 0.000 1.053 450 V CA 1.885 64.172 62.300 -0.023 0.000 1.027 450 V CB -0.507 31.315 31.823 -0.001 0.000 0.646 450 V HN 0.424 nan 8.190 nan 0.000 0.447 451 K N -1.223 119.132 120.400 -0.076 0.000 2.097 451 K HA -0.189 4.131 4.320 0.000 0.000 0.205 451 K C 2.177 178.712 176.600 -0.108 0.000 1.050 451 K CA 1.773 58.014 56.287 -0.076 0.000 0.938 451 K CB -0.337 32.127 32.500 -0.060 0.000 0.718 451 K HN 0.581 nan 8.250 nan 0.000 0.442 452 Y N 1.790 121.879 120.300 -0.352 0.000 2.181 452 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 452 Y C 1.781 177.590 175.900 -0.152 0.000 1.146 452 Y CA 1.313 59.217 58.100 -0.328 0.000 1.164 452 Y CB -0.082 38.036 38.460 -0.570 0.000 0.982 452 Y HN -0.078 nan 8.280 nan 0.000 0.515 453 L N -0.430 120.802 121.223 0.014 0.000 2.056 453 L HA -0.170 4.170 4.340 0.000 0.000 0.207 453 L C 2.814 179.651 176.870 -0.055 0.000 1.078 453 L CA 1.069 55.907 54.840 -0.003 0.000 0.749 453 L CB -1.018 41.079 42.059 0.064 0.000 0.901 453 L HN 0.304 nan 8.230 nan 0.000 0.433 454 A N -0.760 122.034 122.820 -0.044 0.000 1.933 454 A HA -0.246 4.074 4.320 0.000 0.000 0.218 454 A C 2.558 180.105 177.584 -0.060 0.000 1.175 454 A CA 2.146 54.166 52.037 -0.029 0.000 0.628 454 A CB -0.682 18.308 19.000 -0.016 0.000 0.814 454 A HN 0.382 nan 8.150 nan 0.000 0.444 455 S N -0.456 115.174 115.700 -0.118 0.000 2.355 455 S HA -0.002 4.468 4.470 0.000 0.000 0.222 455 S C 2.199 176.699 174.600 -0.166 0.000 1.031 455 S CA 1.496 59.612 58.200 -0.140 0.000 0.993 455 S CB -0.494 62.599 63.200 -0.177 0.000 0.859 455 S HN 0.833 nan 8.310 nan 0.000 0.453 456 A N 0.499 123.168 122.820 -0.253 0.000 1.933 456 A HA -0.053 4.267 4.320 0.000 0.000 0.218 456 A C 2.421 179.994 177.584 -0.018 0.000 1.175 456 A CA 2.144 54.057 52.037 -0.207 0.000 0.628 456 A CB -1.271 17.524 19.000 -0.342 0.000 0.814 456 A HN 0.616 nan 8.150 nan 0.000 0.444 457 S N -0.096 115.603 115.700 -0.002 0.000 2.371 457 S HA -0.146 4.324 4.470 0.000 0.000 0.224 457 S C 1.894 176.490 174.600 -0.006 0.000 1.029 457 S CA 1.370 59.596 58.200 0.043 0.000 0.978 457 S CB -0.522 62.713 63.200 0.057 0.000 0.833 457 S HN 0.621 nan 8.310 nan 0.000 0.466 458 N N 1.238 119.927 118.700 -0.018 0.000 2.188 458 N HA -0.035 4.705 4.740 0.000 0.000 0.184 458 N C 1.745 177.223 175.510 -0.054 0.000 1.018 458 N CA 1.210 54.248 53.050 -0.021 0.000 0.858 458 N CB -0.750 37.728 38.487 -0.015 0.000 0.989 458 N HN 0.280 nan 8.380 nan 0.000 0.426 459 V N 1.463 121.337 119.914 -0.067 0.000 2.295 459 V HA -0.183 3.937 4.120 0.000 0.000 0.246 459 V C 2.381 178.393 176.094 -0.137 0.000 1.049 459 V CA 1.826 64.074 62.300 -0.086 0.000 1.024 459 V CB -0.941 30.836 31.823 -0.077 0.000 0.648 459 V HN 0.291 nan 8.190 nan 0.000 0.447 460 A N -0.171 122.554 122.820 -0.158 0.000 1.972 460 A HA -0.023 4.297 4.320 0.000 0.000 0.219 460 A C 2.233 179.609 177.584 -0.346 0.000 1.169 460 A CA 1.779 53.611 52.037 -0.342 0.000 0.635 460 A CB -0.558 18.173 19.000 -0.448 0.000 0.810 460 A HN 0.591 nan 8.150 nan 0.000 0.446 461 A N -0.643 122.041 122.820 -0.227 0.000 2.238 461 A HA 0.455 4.775 4.320 0.000 0.000 0.208 461 A C 2.171 179.653 177.584 -0.170 0.000 1.177 461 A CA 1.156 53.053 52.037 -0.233 0.000 0.804 461 A CB -0.657 18.268 19.000 -0.124 0.000 0.823 461 A HN 0.884 nan 8.150 nan 0.000 0.482 462 A N 0.068 122.802 122.820 -0.143 0.000 1.940 462 A HA -0.061 4.259 4.320 0.000 0.000 0.219 462 A C 1.662 179.201 177.584 -0.075 0.000 1.176 462 A CA 1.435 53.421 52.037 -0.086 0.000 0.631 462 A CB -0.385 18.560 19.000 -0.091 0.000 0.814 462 A HN 0.490 nan 8.150 nan 0.000 0.446 463 L N -0.655 120.484 121.223 -0.140 0.000 2.741 463 L HA 0.117 4.457 4.340 0.000 0.000 0.237 463 L C 0.918 177.748 176.870 -0.068 0.000 1.178 463 L CA -0.193 54.588 54.840 -0.099 0.000 0.973 463 L CB -0.001 41.925 42.059 -0.221 0.000 1.255 463 L HN 0.233 nan 8.230 nan 0.000 0.498 464 D N 0.388 120.697 120.400 -0.152 0.000 2.221 464 D HA -0.158 4.482 4.640 0.000 0.000 0.204 464 D C 1.129 177.401 176.300 -0.047 0.000 0.982 464 D CA 1.327 55.201 54.000 -0.210 0.000 0.857 464 D CB 0.272 40.739 40.800 -0.555 0.000 0.934 464 D HN 0.394 nan 8.370 nan 0.000 0.475 465 H N -1.153 118.035 119.070 0.198 0.000 2.469 465 H HA 0.084 4.640 4.556 0.000 0.000 0.286 465 H C -0.233 175.233 175.328 0.230 0.000 1.106 465 H CA -0.389 55.787 56.048 0.213 0.000 1.055 465 H CB -0.609 29.259 29.762 0.176 0.000 1.618 465 H HN 0.194 nan 8.280 nan 0.000 0.559 466 H N 0.521 119.718 119.070 0.213 0.000 2.848 466 H HA 0.140 4.696 4.556 0.000 0.000 0.341 466 H C 0.045 175.532 175.328 0.264 0.000 1.060 466 H CA 0.294 56.445 56.048 0.171 0.000 1.444 466 H CB 0.428 30.225 29.762 0.058 0.000 1.446 466 H HN 0.379 nan 8.280 nan 0.000 0.583 467 H N 1.679 120.549 119.070 -0.332 0.000 2.810 467 H HA 0.215 4.771 4.556 0.000 0.000 0.316 467 H C -0.040 175.216 175.328 -0.121 0.000 1.426 467 H CA -0.090 55.884 56.048 -0.123 0.000 1.413 467 H CB 0.602 30.321 29.762 -0.071 0.000 1.874 467 H HN 0.982 nan 8.280 nan 0.000 0.737 468 H N 0.043 118.535 119.070 -0.962 0.000 2.899 468 H HA -0.244 4.312 4.556 0.000 0.000 0.282 468 H C -0.407 174.793 175.328 -0.213 0.000 1.198 468 H CA 1.666 57.301 56.048 -0.689 0.000 1.140 468 H CB -1.618 28.013 29.762 -0.219 0.000 1.317 468 H HN 0.754 nan 8.280 nan 0.000 0.375 469 H N 0.000 118.965 119.070 -0.175 0.000 2.539 469 H HA 0.000 4.556 4.556 0.000 0.000 0.296 469 H CA 0.000 55.993 56.048 -0.092 0.000 1.023 469 H CB 0.000 29.737 29.762 -0.042 0.000 1.292 469 H HN 0.000 nan 8.280 nan 0.000 0.496