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 3e7m_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.099 176.000 0.164 0.000 1.003 77 Q CA 0.000 55.777 55.803 -0.044 0.000 1.022 77 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 78 Y N -1.478 118.892 120.300 0.116 0.000 2.689 78 Y HA 0.922 5.472 4.550 0.000 0.000 0.333 78 Y C -0.615 175.290 175.900 0.010 0.000 1.190 78 Y CA -2.054 56.124 58.100 0.130 0.000 1.063 78 Y CB 0.935 39.437 38.460 0.069 0.000 1.294 78 Y HN 0.455 nan 8.280 nan 0.000 0.466 79 V N 2.132 122.157 119.914 0.186 0.000 2.435 79 V HA 0.484 4.604 4.120 0.000 0.000 0.290 79 V C -0.121 176.108 176.094 0.225 0.000 1.030 79 V CA -0.915 61.394 62.300 0.016 0.000 0.881 79 V CB 1.400 33.075 31.823 -0.248 0.000 0.983 79 V HN 0.775 nan 8.190 nan 0.000 0.445 80 R N 4.378 124.994 120.500 0.194 0.000 2.389 80 R HA 0.433 4.774 4.340 0.000 0.000 0.295 80 R C -1.076 175.309 176.300 0.141 0.000 1.075 80 R CA -0.280 55.964 56.100 0.240 0.000 1.005 80 R CB 0.441 30.854 30.300 0.189 0.000 0.987 80 R HN 0.508 nan 8.270 nan 0.000 0.452 81 I N 4.343 124.981 120.570 0.114 0.000 2.466 81 I HA 0.309 4.479 4.170 0.000 0.000 0.289 81 I C -0.412 175.693 176.117 -0.020 0.000 1.026 81 I CA -0.556 60.772 61.300 0.047 0.000 1.078 81 I CB 1.691 39.696 38.000 0.007 0.000 1.249 81 I HN 0.649 nan 8.210 nan 0.000 0.429 82 K N 5.261 125.662 120.400 0.001 0.000 2.316 82 K HA 0.373 4.693 4.320 0.000 0.000 0.251 82 K C -0.625 175.936 176.600 -0.066 0.000 0.934 82 K CA -0.612 55.597 56.287 -0.130 0.000 0.802 82 K CB 1.817 34.120 32.500 -0.328 0.000 1.171 82 K HN 0.534 nan 8.250 nan 0.000 0.426 83 N N 4.138 122.763 118.700 -0.125 0.000 2.485 83 N HA 0.096 4.836 4.740 0.000 0.000 0.243 83 N C -0.482 175.011 175.510 -0.027 0.000 0.987 83 N CA -0.352 52.720 53.050 0.037 0.000 0.940 83 N CB 0.426 38.929 38.487 0.026 0.000 1.122 83 N HN 0.649 nan 8.380 nan 0.000 0.509 84 W N 2.422 123.798 121.300 0.127 0.000 3.204 84 W HA 0.242 4.902 4.660 0.000 0.000 0.249 84 W C 1.820 178.396 176.519 0.094 0.000 1.322 84 W CA -0.157 57.260 57.345 0.118 0.000 1.593 84 W CB 0.247 29.797 29.460 0.151 0.000 1.122 84 W HN 0.662 nan 8.180 nan 0.000 0.710 85 G N -1.046 107.875 108.800 0.201 0.000 2.651 85 G HA2 -0.087 3.873 3.960 0.000 0.000 0.207 85 G HA3 -0.087 3.873 3.960 0.000 0.000 0.207 85 G C 1.466 176.370 174.900 0.007 0.000 1.131 85 G CA 0.796 45.918 45.100 0.036 0.000 0.816 85 G HN 0.221 nan 8.290 nan 0.000 0.534 86 S N -1.321 114.381 115.700 0.004 0.000 2.505 86 S HA 0.393 4.863 4.470 0.000 0.000 0.216 86 S C 1.871 176.431 174.600 -0.066 0.000 1.018 86 S CA 1.103 59.287 58.200 -0.028 0.000 0.911 86 S CB 0.474 63.660 63.200 -0.023 0.000 0.818 86 S HN 1.500 nan 8.310 nan 0.000 0.497 87 G N 1.447 110.181 108.800 -0.110 0.000 2.199 87 G HA2 -0.317 3.643 3.960 0.000 0.000 0.254 87 G HA3 -0.317 3.643 3.960 0.000 0.000 0.254 87 G C -0.115 174.675 174.900 -0.183 0.000 0.982 87 G CA 0.292 45.281 45.100 -0.185 0.000 0.632 87 G HN 0.775 nan 8.290 nan 0.000 0.529 88 E N 0.731 120.848 120.200 -0.140 0.000 2.442 88 E HA 0.319 4.669 4.350 0.000 0.000 0.262 88 E C 0.246 176.740 176.600 -0.176 0.000 1.004 88 E CA -0.157 56.158 56.400 -0.143 0.000 0.928 88 E CB 0.174 29.803 29.700 -0.118 0.000 0.937 88 E HN 0.216 nan 8.360 nan 0.000 0.446 89 I N 5.313 125.770 120.570 -0.188 0.000 2.530 89 I HA 0.365 4.535 4.170 0.000 0.000 0.297 89 I C -0.138 175.806 176.117 -0.289 0.000 1.011 89 I CA -0.655 60.527 61.300 -0.196 0.000 1.107 89 I CB 1.156 39.070 38.000 -0.143 0.000 1.285 89 I HN 0.578 nan 8.210 nan 0.000 0.436 90 L N 4.977 126.033 121.223 -0.277 0.000 2.388 90 L HA 0.459 4.799 4.340 0.000 0.000 0.264 90 L C -0.996 175.810 176.870 -0.108 0.000 0.998 90 L CA -0.833 53.776 54.840 -0.384 0.000 0.817 90 L CB 2.372 44.008 42.059 -0.704 0.000 1.338 90 L HN 0.443 nan 8.230 nan 0.000 0.414 91 H N 1.256 120.255 119.070 -0.119 0.000 2.551 91 H HA 0.272 4.828 4.556 0.000 0.000 0.321 91 H C -1.021 174.437 175.328 0.218 0.000 1.028 91 H CA -0.806 55.188 56.048 -0.090 0.000 1.215 91 H CB 1.579 30.982 29.762 -0.599 0.000 1.414 91 H HN 0.407 nan 8.280 nan 0.000 0.480 92 D N 2.098 122.764 120.400 0.444 0.000 2.274 92 D HA 0.085 4.725 4.640 0.000 0.000 0.239 92 D C 0.672 177.183 176.300 0.351 0.000 1.104 92 D CA -0.131 54.111 54.000 0.404 0.000 0.840 92 D CB 1.264 42.267 40.800 0.338 0.000 1.100 92 D HN 0.666 nan 8.370 nan 0.000 0.477 93 T N 0.992 115.691 114.554 0.242 0.000 2.955 93 T HA -0.038 4.312 4.350 0.000 0.000 0.251 93 T C 1.871 176.558 174.700 -0.022 0.000 1.002 93 T CA -0.243 61.966 62.100 0.182 0.000 0.970 93 T CB 0.020 69.010 68.868 0.204 0.000 1.091 93 T HN 0.242 nan 8.240 nan 0.000 0.495 94 L N 3.292 124.501 121.223 -0.024 0.000 2.187 94 L HA -0.113 4.228 4.340 0.000 0.000 0.213 94 L C 2.562 179.253 176.870 -0.299 0.000 1.100 94 L CA 1.923 56.713 54.840 -0.083 0.000 0.765 94 L CB -0.909 41.145 42.059 -0.007 0.000 0.904 94 L HN 0.592 nan 8.230 nan 0.000 0.437 95 H N -2.507 116.148 119.070 -0.692 0.000 2.518 95 H HA -0.197 4.359 4.556 0.000 0.000 0.292 95 H C 1.662 176.628 175.328 -0.605 0.000 1.068 95 H CA 1.885 57.195 56.048 -1.230 0.000 1.275 95 H CB -1.028 28.046 29.762 -1.147 0.000 1.375 95 H HN 0.588 nan 8.280 nan 0.000 0.563 96 H N 0.700 119.277 119.070 -0.821 0.000 2.495 96 H HA 0.045 4.601 4.556 0.000 0.000 0.287 96 H C 1.616 176.780 175.328 -0.273 0.000 1.033 96 H CA 0.643 56.366 56.048 -0.542 0.000 1.307 96 H CB 0.451 29.950 29.762 -0.439 0.000 1.401 96 H HN 0.154 nan 8.280 nan 0.000 0.555 97 K N 0.784 121.120 120.400 -0.107 0.000 2.487 97 K HA 0.184 4.504 4.320 0.000 0.000 0.192 97 K C 0.598 177.187 176.600 -0.019 0.000 1.027 97 K CA 0.064 56.331 56.287 -0.034 0.000 1.054 97 K CB 0.253 32.749 32.500 -0.006 0.000 0.824 97 K HN 0.166 nan 8.250 nan 0.000 0.510 98 A N 1.845 124.623 122.820 -0.069 0.000 2.425 98 A HA 0.160 4.480 4.320 0.000 0.000 0.242 98 A C 1.201 178.790 177.584 0.008 0.000 1.077 98 A CA 0.018 52.044 52.037 -0.018 0.000 0.781 98 A CB 0.132 19.097 19.000 -0.058 0.000 1.020 98 A HN 0.379 nan 8.150 nan 0.000 0.494 99 T N 0.302 114.870 114.554 0.024 0.000 4.326 99 T HA 0.351 4.701 4.350 0.000 0.000 0.368 99 T C 1.054 175.790 174.700 0.061 0.000 1.189 99 T CA 0.323 62.448 62.100 0.041 0.000 0.907 99 T CB -0.992 67.888 68.868 0.020 0.000 1.887 99 T HN 1.362 nan 8.240 nan 0.000 0.509 100 S N 0.942 116.684 115.700 0.069 0.000 2.622 100 S HA 0.074 4.544 4.470 0.000 0.000 0.251 100 S C -0.117 174.542 174.600 0.098 0.000 1.402 100 S CA -0.560 57.684 58.200 0.075 0.000 0.972 100 S CB -0.539 62.698 63.200 0.062 0.000 0.913 100 S HN 0.714 nan 8.310 nan 0.000 0.573 101 D N -0.233 120.223 120.400 0.094 0.000 2.357 101 D HA 0.440 5.080 4.640 0.000 0.000 0.242 101 D C -0.101 176.313 176.300 0.190 0.000 1.153 101 D CA -0.261 53.815 54.000 0.126 0.000 0.918 101 D CB 0.203 41.056 40.800 0.087 0.000 1.181 101 D HN 0.381 nan 8.370 nan 0.000 0.435 102 F N -0.090 119.876 119.950 0.027 0.000 2.282 102 F HA 0.097 4.624 4.527 0.000 0.000 0.289 102 F C 2.235 178.058 175.800 0.037 0.000 0.959 102 F CA -0.156 57.863 58.000 0.031 0.000 1.129 102 F CB -0.100 38.925 39.000 0.042 0.000 1.864 102 F HN 0.344 nan 8.300 nan 0.000 0.569 103 T N -1.240 113.009 114.554 -0.508 0.000 2.812 103 T HA -0.035 4.315 4.350 0.000 0.000 0.264 103 T C 0.853 175.542 174.700 -0.019 0.000 1.042 103 T CA 0.824 62.733 62.100 -0.318 0.000 1.140 103 T CB -1.235 67.379 68.868 -0.423 0.000 0.870 103 T HN 0.345 nan 8.240 nan 0.000 0.445 104 C N 2.536 121.915 119.300 0.132 0.000 2.401 104 C HA 0.641 5.101 4.460 0.000 0.000 0.365 104 C C 0.767 175.815 174.990 0.096 0.000 1.250 104 C CA -1.352 57.735 59.018 0.116 0.000 2.131 104 C CB 0.648 28.477 27.740 0.149 0.000 2.445 104 C HN 0.518 nan 8.230 nan 0.000 0.550 105 K N 1.030 121.467 120.400 0.062 0.000 2.520 105 K HA 0.291 4.612 4.320 0.000 0.000 0.256 105 K C 1.329 177.955 176.600 0.044 0.000 1.033 105 K CA -0.161 56.155 56.287 0.049 0.000 1.007 105 K CB 0.490 33.011 32.500 0.034 0.000 1.330 105 K HN 0.763 nan 8.250 nan 0.000 0.507 106 S N 0.179 115.900 115.700 0.034 0.000 2.423 106 S HA -0.107 4.363 4.470 0.000 0.000 0.231 106 S C 1.084 175.697 174.600 0.022 0.000 1.014 106 S CA 1.053 59.269 58.200 0.027 0.000 0.965 106 S CB -0.107 63.106 63.200 0.022 0.000 0.785 106 S HN 0.454 nan 8.310 nan 0.000 0.495 107 K N 1.232 121.644 120.400 0.021 0.000 2.438 107 K HA 0.287 4.607 4.320 0.000 0.000 0.205 107 K C -0.255 176.355 176.600 0.017 0.000 1.033 107 K CA 0.134 56.431 56.287 0.016 0.000 1.089 107 K CB 0.889 33.397 32.500 0.013 0.000 0.857 107 K HN 0.535 nan 8.250 nan 0.000 0.522 108 S N -1.274 114.440 115.700 0.023 0.000 2.587 108 S HA 0.295 4.765 4.470 0.000 0.000 0.269 108 S C -1.378 173.242 174.600 0.034 0.000 1.154 108 S CA -1.097 57.117 58.200 0.023 0.000 0.824 108 S CB 1.520 64.733 63.200 0.021 0.000 1.118 108 S HN 0.129 nan 8.310 nan 0.000 0.462 109 C N 2.432 121.753 119.300 0.035 0.000 2.322 109 C HA 0.682 5.142 4.460 0.000 0.000 0.324 109 C C 0.473 175.496 174.990 0.055 0.000 1.284 109 C CA -0.730 58.319 59.018 0.052 0.000 1.606 109 C CB -0.334 27.433 27.740 0.044 0.000 2.251 109 C HN 0.852 nan 8.230 nan 0.000 0.502 110 L N 6.036 127.299 121.223 0.067 0.000 2.728 110 L HA 0.265 4.605 4.340 0.000 0.000 0.235 110 L C 2.133 179.050 176.870 0.078 0.000 1.197 110 L CA 0.996 55.868 54.840 0.053 0.000 0.992 110 L CB -0.869 41.204 42.059 0.024 0.000 1.263 110 L HN 1.108 nan 8.230 nan 0.000 0.484 111 G N 0.092 108.956 108.800 0.106 0.000 2.469 111 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 111 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 111 G C 1.376 176.368 174.900 0.153 0.000 1.136 111 G CA 1.105 46.291 45.100 0.145 0.000 0.759 111 G HN 0.546 nan 8.290 nan 0.000 0.562 112 S N -0.005 115.770 115.700 0.124 0.000 2.660 112 S HA 0.368 4.838 4.470 0.000 0.000 0.227 112 S C 0.529 175.213 174.600 0.139 0.000 0.948 112 S CA -0.619 57.667 58.200 0.145 0.000 0.948 112 S CB -0.058 63.209 63.200 0.111 0.000 0.779 112 S HN 0.036 nan 8.310 nan 0.000 0.487 113 I N 2.297 122.939 120.570 0.120 0.000 2.416 113 I HA 0.241 4.411 4.170 0.000 0.000 0.288 113 I C 1.524 177.724 176.117 0.139 0.000 1.051 113 I CA -0.241 61.118 61.300 0.098 0.000 1.375 113 I CB 0.406 38.435 38.000 0.050 0.000 1.407 113 I HN 0.302 nan 8.210 nan 0.000 0.516 114 M N 4.506 124.191 119.600 0.143 0.000 2.077 114 M HA -0.086 4.394 4.480 0.000 0.000 0.261 114 M C 0.243 176.600 176.300 0.094 0.000 1.070 114 M CA 1.580 56.996 55.300 0.194 0.000 1.125 114 M CB -0.076 32.622 32.600 0.162 0.000 1.339 114 M HN 0.502 nan 8.290 nan 0.000 0.409 115 N N 1.178 119.881 118.700 0.005 0.000 2.918 115 N HA 0.322 5.062 4.740 0.000 0.000 0.270 115 N C -2.493 173.025 175.510 0.014 0.000 1.536 115 N CA -0.792 52.226 53.050 -0.055 0.000 0.877 115 N CB 0.466 38.838 38.487 -0.193 0.000 1.190 115 N HN 0.225 nan 8.380 nan 0.000 0.492 116 P HA 0.219 nan 4.420 nan 0.000 0.276 116 P C 0.570 177.871 177.300 0.002 0.000 1.244 116 P CA -0.342 62.748 63.100 -0.017 0.000 0.801 116 P CB 2.014 33.657 31.700 -0.096 0.000 1.006 117 K N 0.444 120.831 120.400 -0.021 0.000 2.209 117 K HA -0.098 4.222 4.320 0.000 0.000 0.204 117 K C 2.011 178.607 176.600 -0.007 0.000 1.048 117 K CA 1.872 58.155 56.287 -0.008 0.000 0.940 117 K CB -0.329 32.159 32.500 -0.021 0.000 0.729 117 K HN 0.541 nan 8.250 nan 0.000 0.451 118 S N 0.683 116.341 115.700 -0.070 0.000 2.474 118 S HA -0.047 4.423 4.470 0.000 0.000 0.235 118 S C 1.554 176.175 174.600 0.035 0.000 0.997 118 S CA 0.717 58.867 58.200 -0.084 0.000 0.949 118 S CB -0.151 62.867 63.200 -0.303 0.000 0.766 118 S HN 0.220 nan 8.310 nan 0.000 0.517 119 L N 1.179 122.455 121.223 0.088 0.000 2.769 119 L HA 0.304 4.644 4.340 0.000 0.000 0.240 119 L C -0.231 176.902 176.870 0.439 0.000 1.163 119 L CA -0.058 54.938 54.840 0.260 0.000 0.962 119 L CB 0.259 42.413 42.059 0.159 0.000 1.258 119 L HN 0.190 nan 8.230 nan 0.000 0.513 120 T N -0.085 114.654 114.554 0.309 0.000 2.807 120 T HA 0.434 4.784 4.350 0.000 0.000 0.279 120 T C -0.502 174.203 174.700 0.009 0.000 0.993 120 T CA -0.478 61.757 62.100 0.224 0.000 0.970 120 T CB 2.336 71.287 68.868 0.138 0.000 0.950 120 T HN -0.088 nan 8.240 nan 0.000 0.441 121 R N 2.031 122.497 120.500 -0.056 0.000 2.310 121 R HA 0.602 4.942 4.340 0.000 0.000 0.316 121 R C 0.502 176.748 176.300 -0.092 0.000 1.004 121 R CA -0.430 55.535 56.100 -0.225 0.000 0.900 121 R CB 0.174 30.217 30.300 -0.428 0.000 1.152 121 R HN 0.826 nan 8.270 nan 0.000 0.513 122 G N 3.587 112.337 108.800 -0.084 0.000 2.570 122 G HA2 0.311 4.271 3.960 0.000 0.000 0.276 122 G HA3 0.311 4.271 3.960 0.000 0.000 0.276 122 G C -1.990 172.874 174.900 -0.060 0.000 1.346 122 G CA -0.873 44.188 45.100 -0.065 0.000 1.034 122 G HN 0.590 nan 8.290 nan 0.000 0.512 123 P HA 0.379 nan 4.420 nan 0.000 0.277 123 P C -0.786 176.493 177.300 -0.035 0.000 1.271 123 P CA -0.309 62.764 63.100 -0.045 0.000 0.795 123 P CB 1.185 32.854 31.700 -0.052 0.000 1.101 124 R N -0.280 120.206 120.500 -0.023 0.000 2.774 124 R HA 0.346 4.686 4.340 0.000 0.000 0.272 124 R C -0.436 175.859 176.300 -0.008 0.000 1.000 124 R CA -0.563 55.528 56.100 -0.015 0.000 0.906 124 R CB 1.183 31.476 30.300 -0.011 0.000 1.227 124 R HN 0.397 nan 8.270 nan 0.000 0.468 125 D N -0.441 119.957 120.400 -0.004 0.000 2.527 125 D HA 0.169 4.809 4.640 0.000 0.000 0.224 125 D C -0.441 175.866 176.300 0.012 0.000 1.217 125 D CA -0.166 53.834 54.000 0.001 0.000 0.819 125 D CB 0.609 41.405 40.800 -0.006 0.000 1.061 125 D HN 0.196 nan 8.370 nan 0.000 0.515 126 K N 0.180 120.588 120.400 0.013 0.000 2.527 126 K HA 0.474 4.794 4.320 0.000 0.000 0.260 126 K C -2.985 173.626 176.600 0.017 0.000 0.937 126 K CA -1.953 54.344 56.287 0.018 0.000 0.826 126 K CB 2.452 34.960 32.500 0.012 0.000 1.359 126 K HN -0.209 nan 8.250 nan 0.000 0.434 127 P HA -0.007 nan 4.420 nan 0.000 0.269 127 P C -0.718 176.592 177.300 0.016 0.000 1.217 127 P CA -0.082 63.029 63.100 0.018 0.000 0.783 127 P CB 0.329 32.041 31.700 0.020 0.000 0.898 128 T N 3.969 118.534 114.554 0.018 0.000 2.867 128 T HA 0.118 4.468 4.350 0.000 0.000 0.297 128 T C -2.031 172.686 174.700 0.028 0.000 0.989 128 T CA -0.510 61.605 62.100 0.025 0.000 1.159 128 T CB -0.712 68.181 68.868 0.041 0.000 0.928 128 T HN 0.312 nan 8.240 nan 0.000 0.538 129 P HA -0.017 nan 4.420 nan 0.000 0.264 129 P C 1.168 178.475 177.300 0.011 0.000 1.183 129 P CA -0.396 62.712 63.100 0.012 0.000 0.763 129 P CB 0.417 32.120 31.700 0.006 0.000 0.807 130 L N 3.825 125.052 121.223 0.008 0.000 1.990 130 L HA -0.225 4.115 4.340 0.000 0.000 0.213 130 L C 1.621 178.481 176.870 -0.016 0.000 1.072 130 L CA 2.317 57.159 54.840 0.003 0.000 0.755 130 L CB -1.249 40.810 42.059 0.000 0.000 0.889 130 L HN 0.415 nan 8.230 nan 0.000 0.432 131 E N -0.412 119.774 120.200 -0.023 0.000 2.331 131 E HA -0.232 4.118 4.350 0.000 0.000 0.199 131 E C 2.063 178.619 176.600 -0.073 0.000 1.008 131 E CA 1.219 57.594 56.400 -0.042 0.000 0.843 131 E CB 0.042 29.722 29.700 -0.033 0.000 0.761 131 E HN 0.581 nan 8.360 nan 0.000 0.507 132 E N -0.603 119.559 120.200 -0.063 0.000 2.099 132 E HA -0.076 4.274 4.350 0.000 0.000 0.191 132 E C 1.850 178.363 176.600 -0.144 0.000 0.962 132 E CA 0.141 56.476 56.400 -0.108 0.000 0.826 132 E CB 0.052 29.740 29.700 -0.020 0.000 0.788 132 E HN 0.167 nan 8.360 nan 0.000 0.461 133 L N 1.211 122.427 121.223 -0.012 0.000 1.994 133 L HA -0.137 4.203 4.340 0.000 0.000 0.208 133 L C 2.319 179.207 176.870 0.029 0.000 1.071 133 L CA 1.363 56.245 54.840 0.071 0.000 0.745 133 L CB -0.747 41.373 42.059 0.102 0.000 0.892 133 L HN 0.263 nan 8.230 nan 0.000 0.431 134 L N 0.174 121.382 121.223 -0.026 0.000 2.021 134 L HA -0.160 4.180 4.340 0.000 0.000 0.215 134 L C -0.483 176.355 176.870 -0.054 0.000 1.074 134 L CA 2.313 57.120 54.840 -0.055 0.000 0.760 134 L CB -1.864 40.161 42.059 -0.056 0.000 0.889 134 L HN 0.213 nan 8.230 nan 0.000 0.433 135 P HA -0.123 nan 4.420 nan 0.000 0.217 135 P C 1.263 178.570 177.300 0.011 0.000 1.150 135 P CA 1.431 64.481 63.100 -0.084 0.000 0.832 135 P CB -0.171 31.427 31.700 -0.170 0.000 0.787 136 H N -0.496 118.614 119.070 0.066 0.000 2.357 136 H HA 0.048 4.604 4.556 0.000 0.000 0.301 136 H C 1.985 177.408 175.328 0.159 0.000 1.082 136 H CA 1.449 57.563 56.048 0.110 0.000 1.342 136 H CB -1.075 28.753 29.762 0.110 0.000 1.389 136 H HN 0.039 nan 8.280 nan 0.000 0.511 137 A N 1.120 124.081 122.820 0.236 0.000 1.877 137 A HA -0.120 4.201 4.320 0.000 0.000 0.216 137 A C 2.671 180.343 177.584 0.147 0.000 1.186 137 A CA 1.395 53.523 52.037 0.152 0.000 0.620 137 A CB -0.843 17.986 19.000 -0.285 0.000 0.822 137 A HN 0.307 nan 8.150 nan 0.000 0.443 138 I N -0.646 119.968 120.570 0.073 0.000 2.286 138 I HA -0.221 3.949 4.170 0.000 0.000 0.248 138 I C 2.642 178.839 176.117 0.133 0.000 1.115 138 I CA 1.485 62.830 61.300 0.075 0.000 1.392 138 I CB -0.299 37.718 38.000 0.029 0.000 1.065 138 I HN 0.400 nan 8.210 nan 0.000 0.418 139 E N 1.041 121.341 120.200 0.167 0.000 2.077 139 E HA -0.260 4.090 4.350 0.000 0.000 0.193 139 E C 2.128 178.858 176.600 0.217 0.000 0.989 139 E CA 1.524 58.031 56.400 0.177 0.000 0.800 139 E CB -0.197 29.625 29.700 0.203 0.000 0.746 139 E HN 0.431 nan 8.360 nan 0.000 0.452 140 F N 1.418 121.463 119.950 0.158 0.000 2.146 140 F HA -0.175 4.352 4.527 0.000 0.000 0.298 140 F C 2.117 178.022 175.800 0.176 0.000 1.096 140 F CA 0.967 59.080 58.000 0.188 0.000 1.275 140 F CB -0.252 38.880 39.000 0.219 0.000 1.008 140 F HN -0.036 nan 8.300 nan 0.000 0.480 141 I N 0.932 121.515 120.570 0.022 0.000 2.264 141 I HA -0.311 3.859 4.170 0.000 0.000 0.248 141 I C 1.988 178.059 176.117 -0.076 0.000 1.111 141 I CA 1.215 62.493 61.300 -0.036 0.000 1.382 141 I CB -1.638 36.464 38.000 0.171 0.000 1.060 141 I HN 0.244 nan 8.210 nan 0.000 0.418 142 N N 0.748 119.456 118.700 0.013 0.000 2.166 142 N HA -0.181 4.559 4.740 0.000 0.000 0.186 142 N C 1.862 177.263 175.510 -0.182 0.000 1.019 142 N CA 1.015 54.060 53.050 -0.008 0.000 0.856 142 N CB -0.279 38.273 38.487 0.108 0.000 0.993 142 N HN 0.494 nan 8.380 nan 0.000 0.426 143 Q N -0.390 119.321 119.800 -0.147 0.000 2.050 143 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 143 Q C 1.875 177.638 176.000 -0.395 0.000 0.980 143 Q CA 1.319 57.047 55.803 -0.124 0.000 0.840 143 Q CB -0.233 28.555 28.738 0.085 0.000 0.898 143 Q HN 0.476 nan 8.270 nan 0.000 0.424 144 Y N -0.180 119.592 120.300 -0.880 0.000 2.070 144 Y HA -0.337 4.213 4.550 0.000 0.000 0.280 144 Y C 1.834 176.869 175.900 -1.443 0.000 1.148 144 Y CA 1.912 59.143 58.100 -1.448 0.000 1.125 144 Y CB -0.400 37.226 38.460 -1.390 0.000 0.975 144 Y HN 0.118 nan 8.280 nan 0.000 0.492 145 Y N -0.002 119.535 120.300 -1.272 0.000 2.421 145 Y HA -0.040 4.510 4.550 0.000 0.000 0.292 145 Y C 2.545 177.710 175.900 -1.225 0.000 1.136 145 Y CA 1.173 58.269 58.100 -1.673 0.000 1.255 145 Y CB -0.810 36.841 38.460 -1.348 0.000 0.991 145 Y HN 0.268 nan 8.280 nan 0.000 0.552 146 G N -1.319 107.072 108.800 -0.681 0.000 2.534 146 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 146 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 146 G C 1.682 176.410 174.900 -0.286 0.000 1.128 146 G CA 0.930 45.817 45.100 -0.356 0.000 0.784 146 G HN 0.458 nan 8.290 nan 0.000 0.542 147 S N -0.219 115.226 115.700 -0.424 0.000 2.527 147 S HA 0.257 4.727 4.470 0.000 0.000 0.222 147 S C 0.773 175.388 174.600 0.025 0.000 0.985 147 S CA -0.678 57.433 58.200 -0.148 0.000 0.921 147 S CB -0.377 62.765 63.200 -0.096 0.000 0.772 147 S HN 0.235 nan 8.310 nan 0.000 0.529 148 F N 2.427 122.208 119.950 -0.281 0.000 2.538 148 F HA 0.193 4.720 4.527 0.000 0.000 0.371 148 F C 1.676 177.410 175.800 -0.109 0.000 1.087 148 F CA -0.614 57.260 58.000 -0.210 0.000 1.250 148 F CB 0.648 39.520 39.000 -0.214 0.000 1.110 148 F HN 0.152 nan 8.300 nan 0.000 0.570 149 K N 1.517 121.974 120.400 0.095 0.000 2.486 149 K HA -0.038 4.282 4.320 0.000 0.000 0.194 149 K C -0.167 176.460 176.600 0.044 0.000 1.033 149 K CA 0.875 57.191 56.287 0.047 0.000 1.004 149 K CB 0.262 32.771 32.500 0.015 0.000 0.798 149 K HN 0.513 nan 8.250 nan 0.000 0.495 150 E N 0.922 121.162 120.200 0.066 0.000 2.580 150 E HA 0.171 4.521 4.350 0.000 0.000 0.248 150 E C -1.375 175.305 176.600 0.133 0.000 1.018 150 E CA -0.353 56.081 56.400 0.057 0.000 0.775 150 E CB 1.473 31.177 29.700 0.007 0.000 1.378 150 E HN 0.260 nan 8.360 nan 0.000 0.401 151 A N 3.181 126.077 122.820 0.127 0.000 2.567 151 A HA -0.008 4.312 4.320 0.000 0.000 0.240 151 A C 0.371 178.056 177.584 0.168 0.000 1.053 151 A CA 0.525 52.654 52.037 0.153 0.000 0.755 151 A CB 0.096 19.145 19.000 0.083 0.000 0.978 151 A HN 0.366 nan 8.150 nan 0.000 0.507 152 K N 4.020 124.573 120.400 0.256 0.000 2.526 152 K HA 0.207 4.528 4.320 0.000 0.000 0.214 152 K C 0.543 177.214 176.600 0.118 0.000 1.088 152 K CA -0.628 55.784 56.287 0.209 0.000 1.058 152 K CB 0.357 33.056 32.500 0.331 0.000 1.653 152 K HN 0.656 nan 8.250 nan 0.000 0.521 153 I N 1.313 121.922 120.570 0.067 0.000 2.113 153 I HA -0.375 3.795 4.170 0.000 0.000 0.242 153 I C 1.971 178.060 176.117 -0.047 0.000 1.057 153 I CA 1.899 63.204 61.300 0.009 0.000 1.314 153 I CB -0.619 37.377 38.000 -0.007 0.000 1.022 153 I HN 0.570 nan 8.210 nan 0.000 0.408 154 E N 0.468 120.652 120.200 -0.026 0.000 2.038 154 E HA -0.242 4.108 4.350 0.000 0.000 0.195 154 E C 2.113 178.673 176.600 -0.067 0.000 1.000 154 E CA 1.452 57.827 56.400 -0.042 0.000 0.803 154 E CB -0.167 29.527 29.700 -0.011 0.000 0.750 154 E HN 0.585 nan 8.360 nan 0.000 0.448 155 E N -0.225 119.952 120.200 -0.039 0.000 2.110 155 E HA -0.221 4.129 4.350 0.000 0.000 0.193 155 E C 2.084 178.449 176.600 -0.391 0.000 0.988 155 E CA 0.939 57.305 56.400 -0.058 0.000 0.804 155 E CB -0.236 29.561 29.700 0.163 0.000 0.745 155 E HN 0.428 nan 8.360 nan 0.000 0.458 156 H N 0.822 119.394 119.070 -0.831 0.000 2.267 156 H HA -0.124 4.432 4.556 0.000 0.000 0.297 156 H C 2.273 177.268 175.328 -0.556 0.000 1.080 156 H CA 1.252 56.555 56.048 -1.242 0.000 1.278 156 H CB 0.036 29.354 29.762 -0.739 0.000 1.365 156 H HN 0.065 nan 8.280 nan 0.000 0.489 157 L N 0.303 121.340 121.223 -0.310 0.000 2.042 157 L HA -0.183 4.157 4.340 0.000 0.000 0.210 157 L C 3.074 179.855 176.870 -0.148 0.000 1.076 157 L CA 0.943 55.629 54.840 -0.258 0.000 0.749 157 L CB -0.574 41.362 42.059 -0.205 0.000 0.893 157 L HN 0.416 nan 8.230 nan 0.000 0.432 158 A N 0.090 122.840 122.820 -0.117 0.000 1.902 158 A HA -0.252 4.068 4.320 0.000 0.000 0.217 158 A C 2.357 179.925 177.584 -0.026 0.000 1.181 158 A CA 1.863 53.867 52.037 -0.055 0.000 0.623 158 A CB -0.474 18.509 19.000 -0.027 0.000 0.818 158 A HN 0.275 nan 8.150 nan 0.000 0.443 159 R N 0.047 120.529 120.500 -0.031 0.000 2.081 159 R HA 0.013 4.353 4.340 0.000 0.000 0.235 159 R C 1.904 178.235 176.300 0.051 0.000 1.131 159 R CA 1.544 57.683 56.100 0.064 0.000 0.960 159 R CB -0.944 29.470 30.300 0.189 0.000 0.856 159 R HN 0.520 nan 8.270 nan 0.000 0.436 160 L N 0.203 121.434 121.223 0.013 0.000 2.012 160 L HA -0.194 4.146 4.340 0.000 0.000 0.210 160 L C 2.562 179.416 176.870 -0.027 0.000 1.073 160 L CA 2.121 56.961 54.840 0.000 0.000 0.748 160 L CB -0.549 41.480 42.059 -0.049 0.000 0.891 160 L HN 0.405 nan 8.230 nan 0.000 0.431 161 E N 0.037 120.215 120.200 -0.037 0.000 2.051 161 E HA -0.246 4.104 4.350 0.000 0.000 0.192 161 E C 2.199 178.789 176.600 -0.015 0.000 0.991 161 E CA 1.197 57.578 56.400 -0.032 0.000 0.799 161 E CB -0.018 29.661 29.700 -0.034 0.000 0.748 161 E HN 0.454 nan 8.360 nan 0.000 0.449 162 A N 0.484 123.305 122.820 0.003 0.000 1.883 162 A HA -0.159 4.161 4.320 0.000 0.000 0.217 162 A C 2.427 180.021 177.584 0.018 0.000 1.186 162 A CA 1.636 53.686 52.037 0.022 0.000 0.624 162 A CB -0.788 18.241 19.000 0.048 0.000 0.822 162 A HN 0.238 nan 8.150 nan 0.000 0.444 163 V N -0.237 119.678 119.914 0.002 0.000 2.343 163 V HA -0.226 3.894 4.120 0.000 0.000 0.247 163 V C 2.743 178.766 176.094 -0.119 0.000 1.051 163 V CA 2.440 64.695 62.300 -0.075 0.000 1.036 163 V CB -1.292 30.427 31.823 -0.173 0.000 0.654 163 V HN 0.622 nan 8.190 nan 0.000 0.451 164 T N -0.242 114.260 114.554 -0.086 0.000 2.684 164 T HA -0.239 4.111 4.350 0.000 0.000 0.267 164 T C 1.942 176.616 174.700 -0.043 0.000 1.036 164 T CA 1.692 63.748 62.100 -0.073 0.000 1.148 164 T CB -0.225 68.611 68.868 -0.053 0.000 0.863 164 T HN 0.475 nan 8.240 nan 0.000 0.436 165 K N 0.664 121.050 120.400 -0.022 0.000 2.057 165 K HA -0.081 4.239 4.320 0.000 0.000 0.206 165 K C 2.454 179.060 176.600 0.009 0.000 1.050 165 K CA 1.133 57.417 56.287 -0.005 0.000 0.935 165 K CB -0.149 32.351 32.500 0.001 0.000 0.715 165 K HN 0.440 nan 8.250 nan 0.000 0.439 166 E N 1.201 121.414 120.200 0.022 0.000 2.058 166 E HA -0.205 4.145 4.350 0.000 0.000 0.194 166 E C 1.967 178.601 176.600 0.058 0.000 0.997 166 E CA 1.169 57.602 56.400 0.054 0.000 0.801 166 E CB -0.010 29.750 29.700 0.099 0.000 0.746 166 E HN 0.231 nan 8.360 nan 0.000 0.450 167 I N 0.825 121.416 120.570 0.035 0.000 2.179 167 I HA -0.255 3.916 4.170 0.000 0.000 0.242 167 I C 2.263 178.395 176.117 0.024 0.000 1.088 167 I CA 1.375 62.699 61.300 0.040 0.000 1.357 167 I CB -0.308 37.682 38.000 -0.016 0.000 1.051 167 I HN 0.152 nan 8.210 nan 0.000 0.409 168 E N 0.175 120.378 120.200 0.004 0.000 2.153 168 E HA -0.212 4.138 4.350 0.000 0.000 0.194 168 E C 2.075 178.682 176.600 0.011 0.000 0.988 168 E CA 1.945 58.347 56.400 0.003 0.000 0.811 168 E CB -0.128 29.569 29.700 -0.006 0.000 0.746 168 E HN 0.627 nan 8.360 nan 0.000 0.466 169 T N -2.406 112.158 114.554 0.016 0.000 3.044 169 T HA -0.019 4.331 4.350 0.000 0.000 0.255 169 T C 2.041 176.755 174.700 0.024 0.000 1.073 169 T CA 1.084 63.195 62.100 0.018 0.000 1.125 169 T CB 0.082 68.960 68.868 0.018 0.000 0.908 169 T HN 0.186 nan 8.240 nan 0.000 0.480 170 T N -2.809 111.765 114.554 0.034 0.000 2.969 170 T HA 0.517 4.868 4.350 0.000 0.000 0.250 170 T C 1.926 176.649 174.700 0.038 0.000 1.021 170 T CA 0.829 62.950 62.100 0.036 0.000 1.003 170 T CB -0.009 68.887 68.868 0.046 0.000 1.040 170 T HN 0.940 nan 8.240 nan 0.000 0.492 171 G N 0.143 108.970 108.800 0.045 0.000 2.194 171 G HA2 -0.135 3.825 3.960 0.000 0.000 0.236 171 G HA3 -0.135 3.825 3.960 0.000 0.000 0.236 171 G C 0.212 175.156 174.900 0.073 0.000 0.987 171 G CA 0.531 45.659 45.100 0.046 0.000 0.635 171 G HN 1.043 nan 8.290 nan 0.000 0.520 172 T N -1.427 113.190 114.554 0.105 0.000 2.649 172 T HA 0.685 5.035 4.350 0.000 0.000 0.305 172 T C -1.692 173.175 174.700 0.278 0.000 1.409 172 T CA 0.584 62.787 62.100 0.172 0.000 1.021 172 T CB 1.201 70.108 68.868 0.066 0.000 1.726 172 T HN 1.716 nan 8.240 nan 0.000 0.475 173 Y N -0.516 119.791 120.300 0.012 0.000 2.689 173 Y HA 0.796 5.346 4.550 0.000 0.000 0.333 173 Y C -1.603 174.314 175.900 0.028 0.000 1.208 173 Y CA -1.209 56.907 58.100 0.027 0.000 1.055 173 Y CB 0.772 39.260 38.460 0.047 0.000 1.304 173 Y HN 0.456 nan 8.280 nan 0.000 0.455 174 Q N 2.180 121.987 119.800 0.011 0.000 2.309 174 Q HA 0.548 4.888 4.340 0.000 0.000 0.264 174 Q C -0.901 175.096 176.000 -0.004 0.000 1.008 174 Q CA -0.801 54.960 55.803 -0.070 0.000 0.853 174 Q CB 2.951 31.695 28.738 0.010 0.000 1.314 174 Q HN 0.852 nan 8.270 nan 0.000 0.448 175 L N 1.143 122.339 121.223 -0.044 0.000 2.421 175 L HA 0.395 4.735 4.340 0.000 0.000 0.263 175 L C 1.074 177.965 176.870 0.036 0.000 1.122 175 L CA -0.524 54.339 54.840 0.039 0.000 0.804 175 L CB 0.876 42.944 42.059 0.017 0.000 1.150 175 L HN 0.686 nan 8.230 nan 0.000 0.457 176 T N -1.494 113.075 114.554 0.025 0.000 2.847 176 T HA 0.179 4.529 4.350 0.000 0.000 0.279 176 T C 0.844 175.537 174.700 -0.011 0.000 0.984 176 T CA -0.713 61.391 62.100 0.006 0.000 0.988 176 T CB 1.118 69.981 68.868 -0.007 0.000 1.040 176 T HN 0.453 nan 8.240 nan 0.000 0.528 177 L N 0.621 121.841 121.223 -0.006 0.000 2.017 177 L HA 0.026 4.366 4.340 0.000 0.000 0.208 177 L C 2.151 179.024 176.870 0.005 0.000 1.073 177 L CA 2.135 56.966 54.840 -0.014 0.000 0.745 177 L CB -1.198 40.852 42.059 -0.015 0.000 0.894 177 L HN 0.939 nan 8.230 nan 0.000 0.432 178 D N -0.966 119.451 120.400 0.029 0.000 2.178 178 D HA -0.192 4.448 4.640 0.000 0.000 0.201 178 D C 2.021 178.403 176.300 0.138 0.000 0.980 178 D CA 1.196 55.259 54.000 0.106 0.000 0.842 178 D CB 0.109 41.009 40.800 0.166 0.000 0.948 178 D HN 0.528 nan 8.370 nan 0.000 0.472 179 E N -0.635 119.508 120.200 -0.095 0.000 2.072 179 E HA -0.136 4.214 4.350 0.000 0.000 0.191 179 E C 1.973 178.717 176.600 0.241 0.000 0.985 179 E CA 0.454 56.770 56.400 -0.140 0.000 0.801 179 E CB -0.073 29.503 29.700 -0.206 0.000 0.750 179 E HN 0.233 nan 8.360 nan 0.000 0.452 180 L N 1.257 122.527 121.223 0.077 0.000 2.017 180 L HA -0.168 4.172 4.340 0.000 0.000 0.208 180 L C 2.029 178.912 176.870 0.022 0.000 1.073 180 L CA 1.563 56.392 54.840 -0.018 0.000 0.745 180 L CB -0.308 41.678 42.059 -0.121 0.000 0.894 180 L HN 0.124 nan 8.230 nan 0.000 0.432 181 I N -1.153 119.455 120.570 0.063 0.000 2.163 181 I HA -0.349 3.821 4.170 0.000 0.000 0.243 181 I C 2.416 178.640 176.117 0.178 0.000 1.085 181 I CA 1.930 63.273 61.300 0.071 0.000 1.347 181 I CB -0.481 37.559 38.000 0.066 0.000 1.044 181 I HN 0.355 nan 8.210 nan 0.000 0.408 182 F N 1.759 121.809 119.950 0.168 0.000 2.126 182 F HA -0.269 4.258 4.527 0.000 0.000 0.299 182 F C 2.484 178.436 175.800 0.254 0.000 1.096 182 F CA 1.624 59.779 58.000 0.258 0.000 1.255 182 F CB -0.224 39.022 39.000 0.411 0.000 0.997 182 F HN 0.005 nan 8.300 nan 0.000 0.479 183 A N 0.105 123.070 122.820 0.242 0.000 1.902 183 A HA -0.216 4.104 4.320 0.000 0.000 0.217 183 A C 2.249 179.752 177.584 -0.135 0.000 1.181 183 A CA 2.467 54.520 52.037 0.025 0.000 0.623 183 A CB -1.658 17.308 19.000 -0.057 0.000 0.818 183 A HN 0.567 nan 8.150 nan 0.000 0.443 184 T N -1.834 112.672 114.554 -0.080 0.000 2.821 184 T HA -0.115 4.235 4.350 0.000 0.000 0.267 184 T C 1.781 176.523 174.700 0.070 0.000 1.046 184 T CA 1.610 63.688 62.100 -0.037 0.000 1.139 184 T CB -0.283 68.579 68.868 -0.009 0.000 0.871 184 T HN 0.541 nan 8.240 nan 0.000 0.454 185 K N 0.108 120.562 120.400 0.091 0.000 2.103 185 K HA 0.161 4.481 4.320 0.000 0.000 0.204 185 K C 2.442 179.154 176.600 0.185 0.000 1.052 185 K CA 0.909 57.349 56.287 0.256 0.000 0.945 185 K CB -0.162 32.486 32.500 0.247 0.000 0.722 185 K HN 0.238 nan 8.250 nan 0.000 0.443 186 M N 0.455 119.984 119.600 -0.118 0.000 2.175 186 M HA -0.036 4.444 4.480 0.000 0.000 0.264 186 M C 2.390 178.557 176.300 -0.221 0.000 1.063 186 M CA 1.233 56.362 55.300 -0.285 0.000 1.119 186 M CB -0.921 31.385 32.600 -0.490 0.000 1.377 186 M HN 0.133 nan 8.290 nan 0.000 0.415 187 A N -0.712 121.954 122.820 -0.257 0.000 1.933 187 A HA -0.207 4.113 4.320 0.000 0.000 0.218 187 A C 2.003 179.462 177.584 -0.208 0.000 1.175 187 A CA 1.396 53.154 52.037 -0.465 0.000 0.628 187 A CB -1.066 17.266 19.000 -1.114 0.000 0.814 187 A HN 0.671 nan 8.150 nan 0.000 0.444 188 W N 0.917 122.140 121.300 -0.128 0.000 2.379 188 W HA -0.087 4.573 4.660 0.000 0.000 0.307 188 W C 2.287 178.733 176.519 -0.122 0.000 1.200 188 W CA 1.383 58.701 57.345 -0.044 0.000 1.297 188 W CB -0.677 28.769 29.460 -0.025 0.000 1.140 188 W HN 0.356 nan 8.180 nan 0.000 0.507 189 R N 0.386 120.820 120.500 -0.109 0.000 2.127 189 R HA -0.179 4.161 4.340 0.000 0.000 0.238 189 R C 1.253 177.397 176.300 -0.260 0.000 1.134 189 R CA 1.798 57.648 56.100 -0.416 0.000 0.975 189 R CB -0.527 29.287 30.300 -0.809 0.000 0.865 189 R HN 0.070 nan 8.270 nan 0.000 0.447 190 N N 0.124 118.715 118.700 -0.182 0.000 2.322 190 N HA 0.053 4.794 4.740 0.000 0.000 0.194 190 N C -0.710 174.742 175.510 -0.096 0.000 1.126 190 N CA 0.455 53.441 53.050 -0.106 0.000 0.845 190 N CB 0.955 39.430 38.487 -0.019 0.000 0.976 190 N HN 0.157 nan 8.380 nan 0.000 0.475 191 A N 1.720 124.458 122.820 -0.137 0.000 2.437 191 A HA 0.336 4.656 4.320 0.000 0.000 0.303 191 A C -1.308 176.216 177.584 -0.099 0.000 1.324 191 A CA -1.102 50.807 52.037 -0.212 0.000 0.983 191 A CB 0.511 19.442 19.000 -0.116 0.000 1.142 191 A HN -0.029 nan 8.150 nan 0.000 0.541 192 P HA -0.131 nan 4.420 nan 0.000 0.219 192 P C 1.012 178.267 177.300 -0.074 0.000 1.146 192 P CA 1.156 64.223 63.100 -0.055 0.000 0.808 192 P CB 0.161 31.847 31.700 -0.023 0.000 0.779 193 R N -1.975 118.440 120.500 -0.140 0.000 2.334 193 R HA 0.162 4.502 4.340 0.000 0.000 0.220 193 R C 0.171 176.485 176.300 0.023 0.000 0.917 193 R CA -0.155 55.881 56.100 -0.106 0.000 1.073 193 R CB -0.437 29.571 30.300 -0.486 0.000 1.056 193 R HN 0.187 nan 8.270 nan 0.000 0.506 194 C N 0.742 120.033 119.300 -0.015 0.000 2.255 194 C HA 0.323 4.783 4.460 0.000 0.000 0.326 194 C C 1.742 176.711 174.990 -0.035 0.000 1.258 194 C CA -0.855 58.186 59.018 0.039 0.000 1.676 194 C CB -0.498 27.325 27.740 0.138 0.000 2.314 194 C HN 0.573 nan 8.230 nan 0.000 0.509 195 I N 4.264 124.793 120.570 -0.069 0.000 3.251 195 I HA 0.163 4.333 4.170 0.000 0.000 0.277 195 I C 1.789 177.980 176.117 0.123 0.000 1.268 195 I CA 1.154 62.371 61.300 -0.139 0.000 1.449 195 I CB 0.088 38.015 38.000 -0.121 0.000 1.083 195 I HN 0.919 nan 8.210 nan 0.000 0.464 196 G N 0.051 108.925 108.800 0.122 0.000 3.371 196 G HA2 0.041 4.001 3.960 0.000 0.000 0.248 196 G HA3 0.041 4.001 3.960 0.000 0.000 0.248 196 G C 1.128 176.054 174.900 0.043 0.000 1.161 196 G CA -0.390 44.780 45.100 0.116 0.000 0.796 196 G HN 0.259 nan 8.290 nan 0.000 0.539 197 R N -0.137 120.319 120.500 -0.073 0.000 2.377 197 R HA 0.124 4.464 4.340 0.000 0.000 0.207 197 R C 1.977 177.775 176.300 -0.836 0.000 1.075 197 R CA 0.171 55.922 56.100 -0.582 0.000 1.035 197 R CB -0.207 29.771 30.300 -0.537 0.000 0.857 197 R HN 0.459 nan 8.270 nan 0.000 0.475 198 I N 0.492 120.770 120.570 -0.486 0.000 2.614 198 I HA -0.224 3.946 4.170 0.000 0.000 0.258 198 I C 1.156 177.164 176.117 -0.182 0.000 1.189 198 I CA 1.183 62.352 61.300 -0.218 0.000 1.462 198 I CB 0.183 38.190 38.000 0.012 0.000 1.092 198 I HN 0.218 nan 8.210 nan 0.000 0.442 199 Q N 0.594 120.213 119.800 -0.301 0.000 2.403 199 Q HA -0.091 4.249 4.340 0.000 0.000 0.203 199 Q C 1.576 177.088 176.000 -0.814 0.000 0.932 199 Q CA 0.258 55.871 55.803 -0.316 0.000 0.945 199 Q CB -0.166 28.553 28.738 -0.032 0.000 1.045 199 Q HN 0.773 nan 8.270 nan 0.000 0.511 200 W N 1.195 121.694 121.300 -1.335 0.000 2.313 200 W HA -0.228 4.433 4.660 0.000 0.000 0.293 200 W C 1.106 177.291 176.519 -0.558 0.000 1.216 200 W CA 1.600 58.013 57.345 -1.552 0.000 1.223 200 W CB -1.237 27.586 29.460 -1.061 0.000 1.138 200 W HN 0.158 nan 8.180 nan 0.000 0.535 201 S N 0.085 115.033 115.700 -1.254 0.000 2.593 201 S HA 0.006 4.476 4.470 0.000 0.000 0.217 201 S C 0.428 174.797 174.600 -0.386 0.000 0.966 201 S CA 0.156 57.765 58.200 -0.985 0.000 0.914 201 S CB -0.569 61.848 63.200 -1.306 0.000 0.776 201 S HN 0.190 nan 8.310 nan 0.000 0.523 202 N N 1.318 119.895 118.700 -0.204 0.000 2.817 202 N HA 0.515 5.256 4.740 0.000 0.000 0.234 202 N C -1.438 174.170 175.510 0.164 0.000 1.066 202 N CA -0.559 52.485 53.050 -0.010 0.000 0.926 202 N CB 0.616 39.119 38.487 0.026 0.000 1.176 202 N HN 0.380 nan 8.380 nan 0.000 0.506 203 L N 1.923 123.205 121.223 0.098 0.000 2.505 203 L HA 0.465 4.805 4.340 0.000 0.000 0.266 203 L C -1.040 175.792 176.870 -0.064 0.000 0.954 203 L CA -0.623 54.265 54.840 0.080 0.000 0.852 203 L CB 1.915 44.073 42.059 0.165 0.000 1.282 203 L HN 0.343 nan 8.230 nan 0.000 0.403 204 Q N 3.126 122.839 119.800 -0.145 0.000 2.279 204 Q HA 0.603 4.943 4.340 0.000 0.000 0.256 204 Q C -1.641 174.016 176.000 -0.571 0.000 0.937 204 Q CA -0.132 55.424 55.803 -0.411 0.000 0.933 204 Q CB 1.419 29.788 28.738 -0.615 0.000 1.189 204 Q HN 0.525 nan 8.270 nan 0.000 0.417 205 V N 5.796 125.362 119.914 -0.581 0.000 2.384 205 V HA 0.441 4.561 4.120 0.000 0.000 0.287 205 V C -0.824 174.895 176.094 -0.624 0.000 1.020 205 V CA -0.602 61.407 62.300 -0.485 0.000 0.850 205 V CB 0.730 32.396 31.823 -0.262 0.000 0.987 205 V HN 0.666 nan 8.190 nan 0.000 0.436 206 F N 2.569 122.354 119.950 -0.276 0.000 2.385 206 F HA 0.383 4.910 4.527 0.000 0.000 0.360 206 F C 0.451 176.072 175.800 -0.298 0.000 1.122 206 F CA -0.992 56.843 58.000 -0.274 0.000 1.090 206 F CB 1.119 39.953 39.000 -0.278 0.000 1.150 206 F HN 0.440 nan 8.300 nan 0.000 0.472 207 D N 3.335 123.682 120.400 -0.087 0.000 2.393 207 D HA 0.376 5.016 4.640 0.000 0.000 0.232 207 D C 0.129 176.290 176.300 -0.231 0.000 1.192 207 D CA 0.105 54.008 54.000 -0.161 0.000 0.882 207 D CB 0.979 41.715 40.800 -0.106 0.000 1.038 207 D HN 0.594 nan 8.370 nan 0.000 0.499 208 A N 4.536 127.106 122.820 -0.418 0.000 2.713 208 A HA 0.170 4.491 4.320 0.000 0.000 0.296 208 A C 1.577 178.973 177.584 -0.314 0.000 1.255 208 A CA -0.417 51.259 52.037 -0.601 0.000 0.955 208 A CB 0.007 18.259 19.000 -1.247 0.000 1.149 208 A HN 0.531 nan 8.150 nan 0.000 0.538 209 R N 0.932 121.322 120.500 -0.183 0.000 2.328 209 R HA -0.078 4.262 4.340 0.000 0.000 0.207 209 R C 1.141 177.394 176.300 -0.077 0.000 1.056 209 R CA 1.136 57.179 56.100 -0.095 0.000 1.016 209 R CB 0.027 30.316 30.300 -0.018 0.000 0.872 209 R HN 0.724 nan 8.270 nan 0.000 0.471 210 N N -0.201 118.471 118.700 -0.048 0.000 2.280 210 N HA -0.050 4.690 4.740 0.000 0.000 0.192 210 N C 0.216 175.762 175.510 0.061 0.000 1.109 210 N CA -0.212 52.844 53.050 0.011 0.000 0.855 210 N CB -0.295 38.214 38.487 0.035 0.000 0.974 210 N HN -0.009 nan 8.380 nan 0.000 0.482 211 C N 1.602 120.932 119.300 0.049 0.000 2.679 211 C HA 0.326 4.786 4.460 0.000 0.000 0.417 211 C C 1.859 176.999 174.990 0.250 0.000 1.302 211 C CA 0.576 59.707 59.018 0.189 0.000 1.973 211 C CB -0.045 27.856 27.740 0.267 0.000 2.715 211 C HN 0.657 nan 8.230 nan 0.000 0.628 212 S N 1.575 117.486 115.700 0.352 0.000 2.692 212 S HA 0.193 4.663 4.470 0.000 0.000 0.269 212 S C 0.308 175.091 174.600 0.304 0.000 1.080 212 S CA 0.437 58.873 58.200 0.393 0.000 1.058 212 S CB -0.176 63.159 63.200 0.226 0.000 0.982 212 S HN 0.995 nan 8.310 nan 0.000 0.534 213 T N -1.162 113.535 114.554 0.238 0.000 2.942 213 T HA 0.849 5.199 4.350 0.000 0.000 0.289 213 T C 1.234 176.000 174.700 0.110 0.000 1.044 213 T CA -0.204 61.975 62.100 0.132 0.000 1.023 213 T CB 1.504 70.440 68.868 0.114 0.000 1.123 213 T HN 0.251 nan 8.240 nan 0.000 0.512 214 A N 0.420 123.274 122.820 0.057 0.000 1.930 214 A HA -0.051 4.269 4.320 0.000 0.000 0.217 214 A C 2.313 179.849 177.584 -0.080 0.000 1.175 214 A CA 1.962 54.017 52.037 0.030 0.000 0.627 214 A CB -1.183 17.921 19.000 0.173 0.000 0.815 214 A HN 0.899 nan 8.150 nan 0.000 0.443 215 Q N 0.417 120.254 119.800 0.062 0.000 2.124 215 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 215 Q C 1.719 177.724 176.000 0.009 0.000 0.977 215 Q CA 2.321 58.136 55.803 0.020 0.000 0.850 215 Q CB -0.409 28.433 28.738 0.173 0.000 0.901 215 Q HN 0.750 nan 8.270 nan 0.000 0.429 216 E N -0.525 119.715 120.200 0.067 0.000 2.106 216 E HA -0.148 4.202 4.350 0.000 0.000 0.192 216 E C 2.042 178.746 176.600 0.174 0.000 0.984 216 E CA 1.190 57.645 56.400 0.092 0.000 0.806 216 E CB -0.137 29.670 29.700 0.179 0.000 0.750 216 E HN 0.460 nan 8.360 nan 0.000 0.458 217 M N 0.071 119.769 119.600 0.162 0.000 2.067 217 M HA -0.165 4.315 4.480 0.000 0.000 0.260 217 M C 2.231 178.592 176.300 0.102 0.000 1.069 217 M CA 1.341 56.734 55.300 0.154 0.000 1.117 217 M CB -0.311 32.193 32.600 -0.159 0.000 1.334 217 M HN 0.125 nan 8.290 nan 0.000 0.407 218 F N 1.419 121.175 119.950 -0.323 0.000 2.120 218 F HA -0.285 4.242 4.527 0.000 0.000 0.300 218 F C 2.264 177.954 175.800 -0.184 0.000 1.095 218 F CA 1.877 59.630 58.000 -0.410 0.000 1.249 218 F CB -0.516 37.914 39.000 -0.949 0.000 0.995 218 F HN 0.193 nan 8.300 nan 0.000 0.480 219 Q N -1.088 118.542 119.800 -0.284 0.000 2.079 219 Q HA -0.209 4.131 4.340 0.000 0.000 0.200 219 Q C 2.217 178.030 176.000 -0.312 0.000 0.974 219 Q CA 1.586 57.165 55.803 -0.374 0.000 0.840 219 Q CB -0.483 28.096 28.738 -0.265 0.000 0.898 219 Q HN 0.530 nan 8.270 nan 0.000 0.430 220 H N 0.344 119.364 119.070 -0.084 0.000 2.353 220 H HA -0.062 4.494 4.556 0.000 0.000 0.300 220 H C 2.136 177.401 175.328 -0.106 0.000 1.090 220 H CA 1.182 57.181 56.048 -0.080 0.000 1.327 220 H CB -0.034 29.769 29.762 0.068 0.000 1.383 220 H HN 0.254 nan 8.280 nan 0.000 0.508 221 I N -0.160 120.469 120.570 0.097 0.000 2.286 221 I HA -0.271 3.900 4.170 0.000 0.000 0.248 221 I C 2.612 178.658 176.117 -0.119 0.000 1.115 221 I CA 0.650 61.960 61.300 0.016 0.000 1.392 221 I CB -0.222 37.800 38.000 0.037 0.000 1.065 221 I HN 0.212 nan 8.210 nan 0.000 0.418 222 C N 0.317 119.450 119.300 -0.277 0.000 2.446 222 C HA -0.134 4.326 4.460 0.000 0.000 0.277 222 C C 2.986 177.867 174.990 -0.182 0.000 1.275 222 C CA 0.756 59.597 59.018 -0.294 0.000 1.727 222 C CB -1.101 26.342 27.740 -0.495 0.000 2.010 222 C HN 0.471 nan 8.230 nan 0.000 0.486 223 R N 0.063 120.434 120.500 -0.215 0.000 2.081 223 R HA -0.186 4.154 4.340 0.000 0.000 0.235 223 R C 2.146 178.312 176.300 -0.223 0.000 1.131 223 R CA 2.012 57.966 56.100 -0.243 0.000 0.960 223 R CB -0.661 29.418 30.300 -0.368 0.000 0.856 223 R HN 0.773 nan 8.270 nan 0.000 0.436 224 H N -0.030 118.832 119.070 -0.347 0.000 2.293 224 H HA -0.073 4.483 4.556 0.000 0.000 0.300 224 H C 2.186 177.532 175.328 0.031 0.000 1.082 224 H CA 2.110 58.048 56.048 -0.183 0.000 1.308 224 H CB -0.042 29.658 29.762 -0.104 0.000 1.375 224 H HN 0.177 nan 8.280 nan 0.000 0.495 225 I N 0.171 120.851 120.570 0.182 0.000 2.151 225 I HA -0.274 3.896 4.170 0.000 0.000 0.243 225 I C 2.451 178.637 176.117 0.115 0.000 1.080 225 I CA 0.931 62.300 61.300 0.115 0.000 1.339 225 I CB -0.212 37.787 38.000 -0.002 0.000 1.039 225 I HN 0.340 nan 8.210 nan 0.000 0.409 226 L N 0.203 121.467 121.223 0.069 0.000 2.017 226 L HA -0.267 4.073 4.340 0.000 0.000 0.208 226 L C 2.489 179.416 176.870 0.095 0.000 1.073 226 L CA 1.896 56.769 54.840 0.055 0.000 0.745 226 L CB -0.997 41.073 42.059 0.018 0.000 0.894 226 L HN 0.268 nan 8.230 nan 0.000 0.432 227 Y N 0.152 120.482 120.300 0.050 0.000 2.145 227 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 227 Y C 2.358 178.335 175.900 0.128 0.000 1.145 227 Y CA 2.088 60.254 58.100 0.110 0.000 1.148 227 Y CB -0.580 38.014 38.460 0.223 0.000 0.981 227 Y HN 0.232 nan 8.280 nan 0.000 0.507 228 A N -0.631 122.309 122.820 0.200 0.000 1.898 228 A HA -0.155 4.165 4.320 0.000 0.000 0.216 228 A C 2.206 179.821 177.584 0.051 0.000 1.181 228 A CA 2.195 54.316 52.037 0.140 0.000 0.620 228 A CB -1.316 17.886 19.000 0.336 0.000 0.819 228 A HN 0.526 nan 8.150 nan 0.000 0.442 229 T N -0.139 114.455 114.554 0.066 0.000 2.737 229 T HA -0.124 4.226 4.350 0.000 0.000 0.265 229 T C 1.101 175.801 174.700 0.001 0.000 1.038 229 T CA 1.306 63.439 62.100 0.055 0.000 1.144 229 T CB -0.450 68.451 68.868 0.055 0.000 0.866 229 T HN 0.655 nan 8.240 nan 0.000 0.434 230 N N 1.524 120.195 118.700 -0.048 0.000 2.707 230 N HA -0.262 4.478 4.740 0.000 0.000 0.253 230 N C 0.028 175.513 175.510 -0.041 0.000 0.998 230 N CA 0.981 53.983 53.050 -0.079 0.000 0.751 230 N CB -1.882 36.511 38.487 -0.157 0.000 0.920 230 N HN 0.451 nan 8.380 nan 0.000 0.539 231 N N -1.309 117.379 118.700 -0.020 0.000 2.714 231 N HA -0.217 4.523 4.740 0.000 0.000 0.250 231 N C 0.985 176.484 175.510 -0.018 0.000 1.117 231 N CA 2.592 55.632 53.050 -0.017 0.000 0.719 231 N CB -1.219 37.256 38.487 -0.021 0.000 1.081 231 N HN 1.319 nan 8.380 nan 0.000 0.557 232 G N -1.139 107.658 108.800 -0.006 0.000 2.259 232 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 232 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 232 G C 0.017 174.918 174.900 0.002 0.000 1.001 232 G CA 0.152 45.252 45.100 -0.000 0.000 0.627 232 G HN 0.679 nan 8.290 nan 0.000 0.501 233 N N 2.165 120.851 118.700 -0.022 0.000 2.968 233 N HA 0.318 5.058 4.740 0.000 0.000 0.271 233 N C 0.831 176.329 175.510 -0.021 0.000 1.174 233 N CA -0.564 52.460 53.050 -0.044 0.000 1.096 233 N CB -0.453 38.000 38.487 -0.057 0.000 1.403 233 N HN 0.324 nan 8.380 nan 0.000 0.522 234 I N 1.902 122.494 120.570 0.038 0.000 2.906 234 I HA -0.116 4.054 4.170 0.000 0.000 0.302 234 I C 0.850 177.088 176.117 0.202 0.000 1.220 234 I CA 0.803 62.189 61.300 0.143 0.000 1.441 234 I CB -0.315 37.859 38.000 0.291 0.000 1.336 234 I HN 0.290 nan 8.210 nan 0.000 0.565 235 R N 3.971 124.558 120.500 0.145 0.000 2.534 235 R HA 0.410 4.750 4.340 0.000 0.000 0.301 235 R C -0.411 176.019 176.300 0.217 0.000 0.961 235 R CA -0.676 55.520 56.100 0.159 0.000 0.871 235 R CB 1.925 32.154 30.300 -0.118 0.000 1.170 235 R HN 0.544 nan 8.270 nan 0.000 0.446 236 S N 1.414 117.239 115.700 0.209 0.000 2.549 236 S HA 0.543 5.013 4.470 0.000 0.000 0.279 236 S C -0.336 174.310 174.600 0.076 0.000 1.321 236 S CA -0.335 57.900 58.200 0.058 0.000 1.054 236 S CB 1.346 64.488 63.200 -0.096 0.000 0.899 236 S HN 0.704 nan 8.310 nan 0.000 0.497 237 A N 2.672 125.505 122.820 0.021 0.000 2.609 237 A HA 0.844 5.164 4.320 0.000 0.000 0.291 237 A C -1.345 176.204 177.584 -0.059 0.000 1.096 237 A CA -0.677 51.292 52.037 -0.112 0.000 0.684 237 A CB 1.179 20.073 19.000 -0.177 0.000 1.282 237 A HN 0.805 nan 8.150 nan 0.000 0.412 238 I N 0.194 120.699 120.570 -0.109 0.000 2.722 238 I HA 0.634 4.804 4.170 0.000 0.000 0.295 238 I C -1.207 174.955 176.117 0.076 0.000 1.161 238 I CA -0.129 61.241 61.300 0.117 0.000 1.032 238 I CB 2.430 40.454 38.000 0.040 0.000 1.244 238 I HN 0.597 nan 8.210 nan 0.000 0.421 239 T N 6.237 120.898 114.554 0.180 0.000 2.786 239 T HA 0.438 4.788 4.350 0.000 0.000 0.283 239 T C -0.721 173.808 174.700 -0.285 0.000 0.992 239 T CA -0.353 61.721 62.100 -0.044 0.000 0.954 239 T CB 1.509 70.347 68.868 -0.049 0.000 0.934 239 T HN 0.265 nan 8.240 nan 0.000 0.440 240 V N 5.215 124.905 119.914 -0.373 0.000 2.333 240 V HA 0.444 4.565 4.120 0.000 0.000 0.274 240 V C -0.277 175.565 176.094 -0.419 0.000 1.028 240 V CA -0.696 61.399 62.300 -0.342 0.000 0.851 240 V CB -0.138 31.457 31.823 -0.380 0.000 1.000 240 V HN 0.758 nan 8.190 nan 0.000 0.456 241 F N 5.120 125.043 119.950 -0.044 0.000 2.362 241 F HA 0.460 4.987 4.527 0.000 0.000 0.311 241 F C -1.748 173.987 175.800 -0.109 0.000 1.161 241 F CA -2.430 55.473 58.000 -0.161 0.000 1.085 241 F CB 0.495 39.410 39.000 -0.141 0.000 1.311 241 F HN 0.301 nan 8.300 nan 0.000 0.524 242 P HA -0.061 nan 4.420 nan 0.000 0.261 242 P C -1.137 176.125 177.300 -0.063 0.000 1.173 242 P CA 0.078 63.057 63.100 -0.200 0.000 0.760 242 P CB 0.179 31.562 31.700 -0.529 0.000 0.783 243 Q N 3.280 122.960 119.800 -0.199 0.000 2.454 243 Q HA 0.111 4.451 4.340 0.000 0.000 0.247 243 Q C 0.181 176.018 176.000 -0.271 0.000 1.028 243 Q CA -0.596 54.828 55.803 -0.632 0.000 0.910 243 Q CB 0.727 28.800 28.738 -1.108 0.000 1.276 243 Q HN 0.335 nan 8.270 nan 0.000 0.489 244 R N 1.119 121.471 120.500 -0.247 0.000 2.570 244 R HA -0.001 4.339 4.340 0.000 0.000 0.277 244 R C 0.137 176.391 176.300 -0.077 0.000 1.039 244 R CA 0.747 56.800 56.100 -0.079 0.000 1.065 244 R CB 0.551 30.812 30.300 -0.065 0.000 0.964 244 R HN 0.947 nan 8.270 nan 0.000 0.428 245 S N 2.504 118.206 115.700 0.004 0.000 2.650 245 S HA -0.042 4.428 4.470 0.000 0.000 0.182 245 S C 0.795 175.411 174.600 0.027 0.000 0.832 245 S CA 0.326 58.526 58.200 0.000 0.000 0.860 245 S CB -0.100 63.103 63.200 0.005 0.000 0.818 245 S HN 0.827 nan 8.310 nan 0.000 0.600 246 D N -0.088 120.362 120.400 0.082 0.000 2.398 246 D HA 0.331 4.972 4.640 0.000 0.000 0.210 246 D C 1.345 177.689 176.300 0.073 0.000 1.094 246 D CA 0.631 54.679 54.000 0.081 0.000 0.839 246 D CB -0.064 40.803 40.800 0.112 0.000 0.963 246 D HN 0.836 nan 8.370 nan 0.000 0.506 247 G N 0.924 109.771 108.800 0.078 0.000 2.199 247 G HA2 -0.345 3.615 3.960 0.000 0.000 0.254 247 G HA3 -0.345 3.615 3.960 0.000 0.000 0.254 247 G C 1.003 175.919 174.900 0.028 0.000 0.982 247 G CA 0.392 45.518 45.100 0.043 0.000 0.632 247 G HN 0.446 nan 8.290 nan 0.000 0.529 248 K N -0.503 119.923 120.400 0.042 0.000 2.358 248 K HA 0.268 4.588 4.320 0.000 0.000 0.197 248 K C 0.583 176.984 176.600 -0.332 0.000 1.025 248 K CA 0.362 56.575 56.287 -0.122 0.000 1.104 248 K CB 0.336 32.741 32.500 -0.159 0.000 0.855 248 K HN 0.524 nan 8.250 nan 0.000 0.531 249 H N 0.357 119.445 119.070 0.030 0.000 2.562 249 H HA 0.186 4.742 4.556 0.000 0.000 0.249 249 H C -1.030 174.341 175.328 0.072 0.000 1.195 249 H CA -0.782 55.286 56.048 0.034 0.000 0.938 249 H CB 0.179 29.978 29.762 0.062 0.000 1.891 249 H HN -0.017 nan 8.280 nan 0.000 0.595 250 D N 0.407 120.878 120.400 0.118 0.000 2.414 250 D HA 0.021 4.661 4.640 0.000 0.000 0.242 250 D C -0.054 176.320 176.300 0.124 0.000 1.129 250 D CA 0.397 54.493 54.000 0.159 0.000 0.885 250 D CB 0.604 41.459 40.800 0.093 0.000 1.198 250 D HN 0.119 nan 8.370 nan 0.000 0.437 251 F N 2.060 122.041 119.950 0.050 0.000 2.408 251 F HA 0.408 4.935 4.527 0.000 0.000 0.344 251 F C 0.862 176.676 175.800 0.024 0.000 1.112 251 F CA -0.293 57.712 58.000 0.008 0.000 1.096 251 F CB 0.919 39.915 39.000 -0.006 0.000 1.129 251 F HN -0.135 nan 8.300 nan 0.000 0.486 252 R N 3.480 124.058 120.500 0.131 0.000 2.626 252 R HA 0.484 4.824 4.340 0.000 0.000 0.274 252 R C -1.867 174.560 176.300 0.212 0.000 1.031 252 R CA -1.073 55.129 56.100 0.170 0.000 0.898 252 R CB 2.150 32.556 30.300 0.177 0.000 1.222 252 R HN 0.484 nan 8.270 nan 0.000 0.455 253 L N 1.806 123.146 121.223 0.195 0.000 2.272 253 L HA 0.368 4.708 4.340 0.000 0.000 0.289 253 L C 0.682 177.763 176.870 0.352 0.000 1.032 253 L CA -0.135 54.833 54.840 0.212 0.000 0.810 253 L CB 0.844 42.966 42.059 0.104 0.000 1.205 253 L HN 0.581 nan 8.230 nan 0.000 0.422 254 W N 0.633 122.005 121.300 0.121 0.000 2.584 254 W HA 0.036 4.696 4.660 0.000 0.000 0.264 254 W C 0.728 177.399 176.519 0.252 0.000 1.264 254 W CA -0.388 57.125 57.345 0.279 0.000 1.306 254 W CB -0.807 28.910 29.460 0.427 0.000 1.110 254 W HN 0.485 nan 8.180 nan 0.000 0.606 255 N N -0.396 118.464 118.700 0.267 0.000 2.453 255 N HA 0.008 4.748 4.740 0.000 0.000 0.253 255 N C 1.104 176.507 175.510 -0.178 0.000 1.252 255 N CA 0.511 53.434 53.050 -0.212 0.000 0.917 255 N CB 0.688 39.102 38.487 -0.121 0.000 1.117 255 N HN -0.286 nan 8.380 nan 0.000 0.442 256 S N 0.095 115.624 115.700 -0.284 0.000 2.406 256 S HA 0.009 4.479 4.470 0.000 0.000 0.224 256 S C 0.126 174.637 174.600 -0.148 0.000 1.030 256 S CA 0.947 59.057 58.200 -0.150 0.000 0.958 256 S CB 0.063 63.195 63.200 -0.113 0.000 0.811 256 S HN 0.553 nan 8.310 nan 0.000 0.489 257 Q N -0.856 118.836 119.800 -0.180 0.000 2.451 257 Q HA 0.520 4.860 4.340 0.000 0.000 0.281 257 Q C 0.537 176.412 176.000 -0.209 0.000 1.099 257 Q CA -0.399 55.296 55.803 -0.180 0.000 0.806 257 Q CB 1.291 29.958 28.738 -0.119 0.000 1.419 257 Q HN 0.003 nan 8.270 nan 0.000 0.427 258 L N 0.239 121.330 121.223 -0.220 0.000 2.056 258 L HA 0.056 4.396 4.340 0.000 0.000 0.207 258 L C 0.315 177.030 176.870 -0.259 0.000 1.078 258 L CA 1.000 55.716 54.840 -0.206 0.000 0.749 258 L CB 0.060 41.989 42.059 -0.216 0.000 0.901 258 L HN 0.511 nan 8.230 nan 0.000 0.433 259 I N -0.021 120.313 120.570 -0.393 0.000 2.378 259 I HA 0.465 4.635 4.170 0.000 0.000 0.291 259 I C -0.329 175.172 176.117 -1.026 0.000 0.992 259 I CA -0.319 60.562 61.300 -0.699 0.000 1.154 259 I CB 1.431 38.904 38.000 -0.880 0.000 1.315 259 I HN 0.071 nan 8.210 nan 0.000 0.448 260 R N 4.543 124.543 120.500 -0.833 0.000 2.634 260 R HA 0.509 4.849 4.340 0.000 0.000 0.263 260 R C -2.002 174.081 176.300 -0.362 0.000 1.060 260 R CA -0.654 55.111 56.100 -0.557 0.000 0.898 260 R CB 1.212 31.374 30.300 -0.230 0.000 1.253 260 R HN 0.294 nan 8.270 nan 0.000 0.461 261 Y N 1.185 121.501 120.300 0.027 0.000 2.320 261 Y HA 0.683 5.233 4.550 0.000 0.000 0.324 261 Y C 0.846 176.777 175.900 0.051 0.000 1.190 261 Y CA -0.308 57.847 58.100 0.091 0.000 1.215 261 Y CB 1.557 40.168 38.460 0.252 0.000 1.221 261 Y HN 0.756 nan 8.280 nan 0.000 0.486 262 A N 1.162 124.089 122.820 0.179 0.000 2.313 262 A HA 0.679 4.999 4.320 0.000 0.000 0.261 262 A C 0.389 177.839 177.584 -0.224 0.000 1.090 262 A CA 0.206 52.177 52.037 -0.109 0.000 0.807 262 A CB -0.132 18.731 19.000 -0.229 0.000 1.055 262 A HN 0.907 nan 8.150 nan 0.000 0.492 263 G N -0.555 108.005 108.800 -0.399 0.000 2.643 263 G HA2 0.586 4.546 3.960 0.000 0.000 0.305 263 G HA3 0.586 4.546 3.960 0.000 0.000 0.305 263 G C -1.406 173.265 174.900 -0.382 0.000 1.387 263 G CA -0.275 44.656 45.100 -0.282 0.000 0.982 263 G HN 0.526 nan 8.290 nan 0.000 0.501 264 Y N 0.503 120.831 120.300 0.046 0.000 2.462 264 Y HA 0.444 4.995 4.550 0.000 0.000 0.346 264 Y C 0.277 176.222 175.900 0.075 0.000 0.976 264 Y CA -1.067 57.077 58.100 0.074 0.000 1.044 264 Y CB 2.478 41.011 38.460 0.121 0.000 1.230 264 Y HN 0.248 nan 8.280 nan 0.000 0.455 265 Q N 3.978 123.924 119.800 0.244 0.000 2.406 265 Q HA 0.286 4.626 4.340 0.000 0.000 0.242 265 Q C -0.542 175.552 176.000 0.157 0.000 1.036 265 Q CA -0.325 55.568 55.803 0.149 0.000 0.904 265 Q CB 0.734 29.534 28.738 0.104 0.000 1.244 265 Q HN 0.653 nan 8.270 nan 0.000 0.478 266 M N 3.546 123.219 119.600 0.122 0.000 2.198 266 M HA 0.136 4.616 4.480 0.000 0.000 0.315 266 M C -1.243 175.068 176.300 0.019 0.000 1.134 266 M CA -2.073 53.266 55.300 0.064 0.000 1.171 266 M CB -0.745 31.875 32.600 0.034 0.000 1.413 266 M HN 0.165 nan 8.290 nan 0.000 0.467 267 P HA -0.163 nan 4.420 nan 0.000 0.216 267 P C 0.333 177.621 177.300 -0.021 0.000 1.150 267 P CA 1.357 64.437 63.100 -0.033 0.000 0.837 267 P CB -0.056 31.603 31.700 -0.068 0.000 0.786 268 D N -1.984 118.403 120.400 -0.021 0.000 2.338 268 D HA 0.083 4.723 4.640 0.000 0.000 0.239 268 D C 1.411 177.709 176.300 -0.003 0.000 1.095 268 D CA 0.664 54.655 54.000 -0.015 0.000 0.888 268 D CB -1.062 39.727 40.800 -0.019 0.000 0.899 268 D HN 0.249 nan 8.370 nan 0.000 0.525 269 G N -0.069 108.734 108.800 0.005 0.000 2.225 269 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 269 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 269 G C 0.583 175.494 174.900 0.018 0.000 0.988 269 G CA 0.585 45.693 45.100 0.013 0.000 0.625 269 G HN 0.822 nan 8.290 nan 0.000 0.527 270 T N -0.212 114.351 114.554 0.016 0.000 2.868 270 T HA 0.659 5.009 4.350 0.000 0.000 0.292 270 T C 0.405 175.125 174.700 0.034 0.000 1.028 270 T CA -0.589 61.522 62.100 0.018 0.000 1.059 270 T CB 1.731 70.606 68.868 0.011 0.000 0.991 270 T HN 0.377 nan 8.240 nan 0.000 0.531 271 I N 1.869 122.454 120.570 0.026 0.000 2.359 271 I HA 0.446 4.616 4.170 0.000 0.000 0.294 271 I C 0.502 176.633 176.117 0.023 0.000 0.987 271 I CA -0.597 60.722 61.300 0.032 0.000 1.225 271 I CB 1.307 39.309 38.000 0.004 0.000 1.366 271 I HN 0.801 nan 8.210 nan 0.000 0.466 272 R N 3.549 124.095 120.500 0.077 0.000 2.562 272 R HA 0.645 4.985 4.340 0.000 0.000 0.298 272 R C 0.268 176.600 176.300 0.055 0.000 0.961 272 R CA 0.228 56.373 56.100 0.075 0.000 0.881 272 R CB 1.649 32.043 30.300 0.156 0.000 1.159 272 R HN 0.904 nan 8.270 nan 0.000 0.450 273 G N 2.660 111.405 108.800 -0.091 0.000 2.499 273 G HA2 -0.262 3.698 3.960 0.000 0.000 0.232 273 G HA3 -0.262 3.698 3.960 0.000 0.000 0.232 273 G C -1.132 173.509 174.900 -0.431 0.000 1.251 273 G CA -0.025 44.981 45.100 -0.158 0.000 0.917 273 G HN 0.657 nan 8.290 nan 0.000 0.580 274 D N 1.764 122.053 120.400 -0.187 0.000 2.393 274 D HA 0.563 5.203 4.640 0.000 0.000 0.232 274 D C 1.559 177.809 176.300 -0.084 0.000 1.192 274 D CA 0.829 54.743 54.000 -0.144 0.000 0.882 274 D CB 0.751 41.738 40.800 0.310 0.000 1.038 274 D HN 0.923 nan 8.370 nan 0.000 0.499 275 A N 3.898 126.641 122.820 -0.129 0.000 1.986 275 A HA -0.155 4.165 4.320 0.000 0.000 0.220 275 A C 2.025 179.613 177.584 0.006 0.000 1.171 275 A CA 1.798 53.806 52.037 -0.049 0.000 0.640 275 A CB -0.278 18.697 19.000 -0.042 0.000 0.811 275 A HN 0.614 nan 8.150 nan 0.000 0.451 276 A N -0.599 122.247 122.820 0.044 0.000 2.168 276 A HA 0.074 4.394 4.320 0.000 0.000 0.215 276 A C 1.917 179.540 177.584 0.065 0.000 1.152 276 A CA 1.832 53.910 52.037 0.068 0.000 0.716 276 A CB -0.792 18.269 19.000 0.103 0.000 0.794 276 A HN 0.821 nan 8.150 nan 0.000 0.465 277 T N -3.347 111.240 114.554 0.055 0.000 3.215 277 T HA 0.394 4.744 4.350 0.000 0.000 0.271 277 T C 1.304 176.016 174.700 0.020 0.000 1.012 277 T CA -0.075 62.058 62.100 0.055 0.000 0.899 277 T CB -0.405 68.502 68.868 0.066 0.000 1.089 277 T HN 0.215 nan 8.240 nan 0.000 0.552 278 L N 0.656 121.879 121.223 -0.000 0.000 1.990 278 L HA -0.122 4.218 4.340 0.000 0.000 0.213 278 L C 2.904 179.762 176.870 -0.020 0.000 1.072 278 L CA 2.159 56.988 54.840 -0.019 0.000 0.755 278 L CB -0.437 41.623 42.059 0.002 0.000 0.889 278 L HN 0.421 nan 8.230 nan 0.000 0.432 279 E N -0.403 119.788 120.200 -0.014 0.000 2.047 279 E HA -0.263 4.088 4.350 0.000 0.000 0.191 279 E C 2.116 178.650 176.600 -0.109 0.000 0.987 279 E CA 1.223 57.588 56.400 -0.059 0.000 0.799 279 E CB -0.110 29.551 29.700 -0.065 0.000 0.752 279 E HN 0.349 nan 8.360 nan 0.000 0.449 280 F N 1.037 120.853 119.950 -0.223 0.000 2.186 280 F HA -0.154 4.373 4.527 0.000 0.000 0.299 280 F C 2.253 177.942 175.800 -0.184 0.000 1.090 280 F CA 1.697 59.542 58.000 -0.257 0.000 1.307 280 F CB -0.419 38.459 39.000 -0.203 0.000 1.019 280 F HN -0.020 nan 8.300 nan 0.000 0.489 281 T N -0.304 114.209 114.554 -0.069 0.000 2.746 281 T HA -0.275 4.075 4.350 0.000 0.000 0.267 281 T C 1.762 176.402 174.700 -0.100 0.000 1.039 281 T CA 1.678 63.697 62.100 -0.135 0.000 1.142 281 T CB -0.359 68.414 68.868 -0.159 0.000 0.866 281 T HN 0.242 nan 8.240 nan 0.000 0.444 282 Q N 0.735 120.483 119.800 -0.087 0.000 2.124 282 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 282 Q C 2.100 178.032 176.000 -0.113 0.000 0.977 282 Q CA 1.148 56.919 55.803 -0.053 0.000 0.850 282 Q CB -0.693 28.018 28.738 -0.046 0.000 0.901 282 Q HN 0.446 nan 8.270 nan 0.000 0.429 283 L N -0.434 120.650 121.223 -0.232 0.000 2.046 283 L HA -0.149 4.191 4.340 0.000 0.000 0.208 283 L C 2.059 178.767 176.870 -0.270 0.000 1.077 283 L CA 1.802 56.480 54.840 -0.269 0.000 0.747 283 L CB -0.969 40.846 42.059 -0.407 0.000 0.896 283 L HN 0.383 nan 8.230 nan 0.000 0.432 284 C N -0.371 118.706 119.300 -0.370 0.000 2.429 284 C HA -0.113 4.348 4.460 0.000 0.000 0.277 284 C C 2.728 177.748 174.990 0.050 0.000 1.262 284 C CA 0.861 59.726 59.018 -0.254 0.000 1.733 284 C CB -0.925 26.556 27.740 -0.432 0.000 2.010 284 C HN 0.593 nan 8.230 nan 0.000 0.483 285 I N 1.132 121.777 120.570 0.126 0.000 2.286 285 I HA -0.183 3.987 4.170 0.000 0.000 0.248 285 I C 1.973 178.105 176.117 0.025 0.000 1.115 285 I CA 1.494 62.877 61.300 0.138 0.000 1.392 285 I CB -0.585 37.483 38.000 0.114 0.000 1.065 285 I HN 0.318 nan 8.210 nan 0.000 0.418 286 D N 0.843 121.226 120.400 -0.029 0.000 2.219 286 D HA -0.080 4.560 4.640 0.000 0.000 0.205 286 D C 1.973 178.227 176.300 -0.077 0.000 0.970 286 D CA 1.116 55.077 54.000 -0.066 0.000 0.851 286 D CB -0.083 40.657 40.800 -0.099 0.000 0.943 286 D HN 0.334 nan 8.370 nan 0.000 0.488 287 L N -0.835 120.348 121.223 -0.068 0.000 2.612 287 L HA 0.243 4.583 4.340 0.000 0.000 0.230 287 L C 1.499 178.337 176.870 -0.053 0.000 1.140 287 L CA 0.301 55.097 54.840 -0.074 0.000 0.896 287 L CB 0.122 42.121 42.059 -0.099 0.000 1.065 287 L HN 0.139 nan 8.230 nan 0.000 0.447 288 G N -1.259 107.529 108.800 -0.020 0.000 2.218 288 G HA2 -0.293 3.667 3.960 0.000 0.000 0.216 288 G HA3 -0.293 3.667 3.960 0.000 0.000 0.216 288 G C -0.089 174.829 174.900 0.030 0.000 0.994 288 G CA -0.402 44.686 45.100 -0.020 0.000 0.637 288 G HN 0.275 nan 8.290 nan 0.000 0.505 289 W N 2.747 123.976 121.300 -0.117 0.000 2.210 289 W HA 0.642 5.302 4.660 0.000 0.000 0.330 289 W C 0.436 176.915 176.519 -0.067 0.000 1.334 289 W CA -0.336 56.952 57.345 -0.096 0.000 1.227 289 W CB 0.783 30.182 29.460 -0.100 0.000 1.178 289 W HN 0.106 nan 8.180 nan 0.000 0.560 290 K N 8.784 128.725 120.400 -0.765 0.000 2.262 290 K HA 0.330 4.650 4.320 0.000 0.000 0.282 290 K C -2.351 173.479 176.600 -1.284 0.000 1.066 290 K CA -2.244 53.595 56.287 -0.746 0.000 0.901 290 K CB 0.528 32.754 32.500 -0.457 0.000 1.089 290 K HN 0.156 nan 8.250 nan 0.000 0.476 291 P HA 0.100 nan 4.420 nan 0.000 0.271 291 P C -0.634 176.204 177.300 -0.771 0.000 1.216 291 P CA -0.030 62.492 63.100 -0.963 0.000 0.776 291 P CB 1.049 32.295 31.700 -0.757 0.000 0.881 292 R N 1.290 121.436 120.500 -0.591 0.000 2.437 292 R HA 0.130 4.470 4.340 0.000 0.000 0.257 292 R C -0.034 176.109 176.300 -0.261 0.000 0.927 292 R CA -0.251 55.681 56.100 -0.280 0.000 1.078 292 R CB -0.312 29.943 30.300 -0.075 0.000 1.161 292 R HN 0.415 nan 8.270 nan 0.000 0.529 293 Y N -0.403 119.431 120.300 -0.777 0.000 3.225 293 Y HA -0.277 4.273 4.550 0.000 0.000 0.211 293 Y C 0.762 176.475 175.900 -0.312 0.000 1.223 293 Y CA 0.600 58.127 58.100 -0.956 0.000 1.284 293 Y CB -1.933 36.176 38.460 -0.585 0.000 1.367 293 Y HN 0.220 nan 8.280 nan 0.000 0.566 294 G N -0.391 108.439 108.800 0.049 0.000 2.552 294 G HA2 0.514 4.474 3.960 0.000 0.000 0.324 294 G HA3 0.514 4.474 3.960 0.000 0.000 0.324 294 G C 0.499 175.488 174.900 0.149 0.000 1.217 294 G CA -0.589 44.584 45.100 0.123 0.000 0.989 294 G HN 0.303 nan 8.290 nan 0.000 0.490 295 R N -1.225 119.257 120.500 -0.030 0.000 2.210 295 R HA 0.177 4.517 4.340 0.000 0.000 0.203 295 R C -0.101 175.802 176.300 -0.662 0.000 1.010 295 R CA 0.644 56.552 56.100 -0.321 0.000 1.008 295 R CB -0.020 29.988 30.300 -0.488 0.000 0.923 295 R HN 0.346 nan 8.270 nan 0.000 0.469 296 F N 0.958 120.875 119.950 -0.055 0.000 2.577 296 F HA 0.305 4.832 4.527 0.000 0.000 0.342 296 F C -1.130 174.604 175.800 -0.110 0.000 1.479 296 F CA -1.300 56.385 58.000 -0.524 0.000 1.110 296 F CB 0.806 39.358 39.000 -0.747 0.000 1.306 296 F HN -0.242 nan 8.300 nan 0.000 0.554 297 D N 1.522 122.104 120.400 0.302 0.000 2.313 297 D HA 0.228 4.869 4.640 0.000 0.000 0.239 297 D C 0.191 176.783 176.300 0.487 0.000 1.142 297 D CA -0.007 54.246 54.000 0.422 0.000 0.847 297 D CB 2.293 43.397 40.800 0.508 0.000 1.082 297 D HN -0.049 nan 8.370 nan 0.000 0.480 298 V N 3.649 123.815 119.914 0.419 0.000 2.529 298 V HA -0.007 4.113 4.120 0.000 0.000 0.292 298 V C 0.995 177.134 176.094 0.075 0.000 1.028 298 V CA -0.234 62.191 62.300 0.209 0.000 1.074 298 V CB 0.197 32.089 31.823 0.116 0.000 0.958 298 V HN 0.344 nan 8.190 nan 0.000 0.481 299 L N 8.250 129.410 121.223 -0.105 0.000 2.452 299 L HA 0.340 4.680 4.340 0.000 0.000 0.267 299 L C -1.712 174.971 176.870 -0.311 0.000 1.188 299 L CA -1.359 53.272 54.840 -0.349 0.000 0.821 299 L CB 0.831 42.761 42.059 -0.215 0.000 1.102 299 L HN 0.486 nan 8.230 nan 0.000 0.470 300 P HA 0.193 nan 4.420 nan 0.000 0.279 300 P C -1.006 176.241 177.300 -0.088 0.000 1.252 300 P CA -0.545 62.387 63.100 -0.280 0.000 0.811 300 P CB 0.966 32.388 31.700 -0.465 0.000 1.035 301 L N 1.123 122.371 121.223 0.043 0.000 2.367 301 L HA 0.241 4.581 4.340 0.000 0.000 0.275 301 L C 0.259 177.206 176.870 0.128 0.000 1.129 301 L CA -0.660 54.252 54.840 0.122 0.000 0.839 301 L CB 0.844 43.017 42.059 0.189 0.000 1.133 301 L HN 0.100 nan 8.230 nan 0.000 0.453 302 V N 5.795 125.800 119.914 0.152 0.000 2.293 302 V HA 0.333 4.453 4.120 0.000 0.000 0.275 302 V C 0.078 176.169 176.094 -0.005 0.000 1.021 302 V CA -0.318 62.002 62.300 0.033 0.000 0.815 302 V CB 1.036 32.914 31.823 0.091 0.000 1.025 302 V HN 0.486 nan 8.190 nan 0.000 0.448 303 L N 4.622 125.835 121.223 -0.018 0.000 2.307 303 L HA 0.609 4.949 4.340 0.000 0.000 0.284 303 L C -0.051 176.707 176.870 -0.187 0.000 1.023 303 L CA -0.339 54.471 54.840 -0.049 0.000 0.810 303 L CB 1.678 43.741 42.059 0.007 0.000 1.231 303 L HN 0.582 nan 8.230 nan 0.000 0.423 304 Q N 2.915 122.603 119.800 -0.187 0.000 2.347 304 Q HA 0.695 5.035 4.340 0.000 0.000 0.262 304 Q C -1.277 174.535 176.000 -0.314 0.000 0.980 304 Q CA -0.566 55.092 55.803 -0.241 0.000 0.867 304 Q CB 1.944 30.643 28.738 -0.064 0.000 1.242 304 Q HN 0.785 nan 8.270 nan 0.000 0.453 305 A N 3.751 126.308 122.820 -0.438 0.000 2.355 305 A HA 0.428 4.748 4.320 0.000 0.000 0.317 305 A C -0.244 176.838 177.584 -0.835 0.000 1.094 305 A CA -0.309 51.181 52.037 -0.911 0.000 0.764 305 A CB 1.117 19.788 19.000 -0.548 0.000 1.230 305 A HN 0.996 nan 8.150 nan 0.000 0.448 306 D N 1.084 120.699 120.400 -1.309 0.000 2.811 306 D HA -0.157 4.483 4.640 0.000 0.000 0.231 306 D C 1.237 177.436 176.300 -0.167 0.000 1.157 306 D CA 2.895 56.653 54.000 -0.404 0.000 0.716 306 D CB -1.049 39.676 40.800 -0.125 0.000 1.077 306 D HN 2.116 nan 8.370 nan 0.000 0.428 307 G N -1.712 106.963 108.800 -0.209 0.000 2.184 307 G HA2 -0.364 3.596 3.960 0.000 0.000 0.264 307 G HA3 -0.364 3.596 3.960 0.000 0.000 0.264 307 G C 0.312 175.167 174.900 -0.075 0.000 0.975 307 G CA 0.621 45.648 45.100 -0.122 0.000 0.642 307 G HN 0.525 nan 8.290 nan 0.000 0.536 308 Q N 1.011 120.737 119.800 -0.124 0.000 2.443 308 Q HA 0.299 4.639 4.340 0.000 0.000 0.232 308 Q C 0.258 176.186 176.000 -0.119 0.000 1.026 308 Q CA -0.280 55.476 55.803 -0.079 0.000 0.924 308 Q CB 0.339 29.020 28.738 -0.095 0.000 1.256 308 Q HN 0.414 nan 8.270 nan 0.000 0.519 309 D N 2.553 122.912 120.400 -0.069 0.000 2.449 309 D HA 0.064 4.704 4.640 0.000 0.000 0.236 309 D C -2.014 174.051 176.300 -0.392 0.000 1.149 309 D CA -0.730 53.143 54.000 -0.212 0.000 0.878 309 D CB 0.004 40.841 40.800 0.062 0.000 1.198 309 D HN 0.219 nan 8.370 nan 0.000 0.446 310 P HA 0.072 nan 4.420 nan 0.000 0.268 310 P C -0.566 176.495 177.300 -0.398 0.000 1.204 310 P CA 0.034 62.691 63.100 -0.740 0.000 0.768 310 P CB 0.951 31.728 31.700 -1.538 0.000 0.842 311 E N 1.004 121.051 120.200 -0.255 0.000 2.207 311 E HA 0.418 4.768 4.350 0.000 0.000 0.270 311 E C -0.609 175.833 176.600 -0.263 0.000 0.927 311 E CA -1.191 55.071 56.400 -0.230 0.000 0.799 311 E CB 1.863 31.483 29.700 -0.134 0.000 1.172 311 E HN 0.183 nan 8.360 nan 0.000 0.404 312 V N 2.848 122.479 119.914 -0.472 0.000 2.532 312 V HA 0.446 4.566 4.120 0.000 0.000 0.295 312 V C -0.778 174.868 176.094 -0.746 0.000 1.041 312 V CA -0.496 61.569 62.300 -0.391 0.000 0.926 312 V CB 0.491 32.163 31.823 -0.251 0.000 0.992 312 V HN 0.517 nan 8.190 nan 0.000 0.457 313 F N 1.247 121.045 119.950 -0.254 0.000 2.585 313 F HA 0.402 4.929 4.527 0.000 0.000 0.319 313 F C 0.302 175.952 175.800 -0.249 0.000 1.165 313 F CA -0.623 57.109 58.000 -0.446 0.000 0.949 313 F CB 1.541 39.990 39.000 -0.919 0.000 1.218 313 F HN 0.433 nan 8.300 nan 0.000 0.453 314 E N 3.598 123.802 120.200 0.006 0.000 2.360 314 E HA 0.298 4.648 4.350 0.000 0.000 0.269 314 E C -0.368 176.372 176.600 0.234 0.000 1.022 314 E CA -0.285 56.196 56.400 0.136 0.000 0.887 314 E CB 1.366 31.180 29.700 0.191 0.000 0.990 314 E HN 0.472 nan 8.360 nan 0.000 0.426 315 I N 5.174 125.884 120.570 0.234 0.000 2.452 315 I HA 0.084 4.255 4.170 0.000 0.000 0.287 315 I C -2.031 174.212 176.117 0.211 0.000 1.079 315 I CA -1.997 59.464 61.300 0.268 0.000 1.387 315 I CB 0.394 38.476 38.000 0.136 0.000 1.404 315 I HN 0.185 nan 8.210 nan 0.000 0.522 316 P HA 0.029 nan 4.420 nan 0.000 0.258 316 P C -2.019 175.344 177.300 0.105 0.000 1.187 316 P CA -0.734 62.457 63.100 0.153 0.000 0.767 316 P CB 0.119 31.893 31.700 0.122 0.000 0.770 317 P HA -0.207 nan 4.420 nan 0.000 0.217 317 P C 0.844 178.184 177.300 0.067 0.000 1.148 317 P CA 1.376 64.530 63.100 0.090 0.000 0.828 317 P CB -0.006 31.751 31.700 0.095 0.000 0.783 318 D N -1.162 119.273 120.400 0.058 0.000 2.310 318 D HA -0.060 4.581 4.640 0.000 0.000 0.212 318 D C 1.657 177.977 176.300 0.033 0.000 0.965 318 D CA 0.883 54.908 54.000 0.042 0.000 0.879 318 D CB -0.093 40.729 40.800 0.036 0.000 0.921 318 D HN 0.280 nan 8.370 nan 0.000 0.510 319 L N 0.311 121.554 121.223 0.034 0.000 2.529 319 L HA 0.063 4.403 4.340 0.000 0.000 0.223 319 L C 0.469 177.354 176.870 0.026 0.000 1.113 319 L CA 0.104 54.957 54.840 0.022 0.000 0.861 319 L CB 0.605 42.668 42.059 0.006 0.000 1.012 319 L HN -0.239 nan 8.230 nan 0.000 0.461 320 V N 2.097 122.032 119.914 0.035 0.000 2.334 320 V HA 0.168 4.288 4.120 0.000 0.000 0.267 320 V C -0.034 176.090 176.094 0.049 0.000 1.040 320 V CA -0.479 61.842 62.300 0.036 0.000 0.866 320 V CB 1.375 33.219 31.823 0.035 0.000 1.019 320 V HN 0.034 nan 8.190 nan 0.000 0.468 321 L N 5.924 127.178 121.223 0.051 0.000 2.305 321 L HA 0.550 4.890 4.340 0.000 0.000 0.281 321 L C 0.058 176.956 176.870 0.046 0.000 1.085 321 L CA 0.646 55.508 54.840 0.037 0.000 0.813 321 L CB 0.798 42.873 42.059 0.027 0.000 1.157 321 L HN 0.691 nan 8.230 nan 0.000 0.436 322 E N 3.189 123.394 120.200 0.009 0.000 2.336 322 E HA 0.608 4.958 4.350 0.000 0.000 0.267 322 E C -1.520 175.013 176.600 -0.113 0.000 0.906 322 E CA -1.048 55.349 56.400 -0.005 0.000 0.781 322 E CB 2.516 32.245 29.700 0.047 0.000 1.261 322 E HN 0.367 nan 8.360 nan 0.000 0.436 323 V N 1.629 121.438 119.914 -0.175 0.000 2.448 323 V HA 0.276 4.396 4.120 0.000 0.000 0.295 323 V C -0.071 175.964 176.094 -0.098 0.000 1.025 323 V CA -0.804 61.340 62.300 -0.260 0.000 0.859 323 V CB 1.564 32.985 31.823 -0.670 0.000 0.988 323 V HN 0.846 nan 8.190 nan 0.000 0.431 324 T N 3.560 118.076 114.554 -0.065 0.000 2.869 324 T HA 0.510 4.861 4.350 0.000 0.000 0.295 324 T C -0.115 174.618 174.700 0.056 0.000 0.987 324 T CA -0.773 61.323 62.100 -0.007 0.000 1.109 324 T CB 0.784 69.651 68.868 -0.001 0.000 0.932 324 T HN 0.313 nan 8.240 nan 0.000 0.518 325 M N 3.216 122.896 119.600 0.134 0.000 2.146 325 M HA 0.398 4.878 4.480 0.000 0.000 0.352 325 M C 0.271 176.748 176.300 0.294 0.000 1.343 325 M CA 0.107 55.555 55.300 0.246 0.000 1.115 325 M CB -0.015 32.830 32.600 0.408 0.000 1.657 325 M HN 0.797 nan 8.290 nan 0.000 0.471 326 E N 0.979 121.303 120.200 0.207 0.000 2.359 326 E HA 0.439 4.789 4.350 0.000 0.000 0.266 326 E C -1.094 175.519 176.600 0.022 0.000 0.920 326 E CA -0.771 55.747 56.400 0.196 0.000 0.788 326 E CB 2.655 32.464 29.700 0.181 0.000 1.279 326 E HN 0.516 nan 8.360 nan 0.000 0.438 327 H N 2.227 121.200 119.070 -0.161 0.000 2.538 327 H HA 0.222 4.778 4.556 0.000 0.000 0.353 327 H C -1.982 173.078 175.328 -0.447 0.000 1.109 327 H CA -2.354 53.442 56.048 -0.420 0.000 1.192 327 H CB 1.962 31.421 29.762 -0.505 0.000 1.555 327 H HN 0.314 nan 8.280 nan 0.000 0.518 328 P HA -0.121 nan 4.420 nan 0.000 0.223 328 P C 0.751 177.853 177.300 -0.330 0.000 1.144 328 P CA 1.272 63.876 63.100 -0.827 0.000 0.783 328 P CB 0.759 31.856 31.700 -1.005 0.000 0.771 329 K N -1.469 118.866 120.400 -0.108 0.000 2.493 329 K HA 0.075 4.395 4.320 0.000 0.000 0.201 329 K C 0.372 176.882 176.600 -0.149 0.000 1.355 329 K CA -0.131 56.063 56.287 -0.154 0.000 0.953 329 K CB 0.113 32.449 32.500 -0.273 0.000 1.316 329 K HN -0.057 nan 8.250 nan 0.000 0.522 330 Y N 2.981 123.145 120.300 -0.227 0.000 2.556 330 Y HA 0.069 4.619 4.550 0.000 0.000 0.352 330 Y C 0.353 175.943 175.900 -0.516 0.000 1.006 330 Y CA -1.085 56.616 58.100 -0.664 0.000 1.277 330 Y CB 1.094 38.662 38.460 -1.488 0.000 1.136 330 Y HN 0.222 nan 8.280 nan 0.000 0.523 331 E N 2.570 122.714 120.200 -0.094 0.000 2.153 331 E HA -0.243 4.108 4.350 0.000 0.000 0.194 331 E C 1.596 178.230 176.600 0.057 0.000 0.988 331 E CA 1.337 57.745 56.400 0.014 0.000 0.811 331 E CB -0.410 29.343 29.700 0.088 0.000 0.746 331 E HN 0.859 nan 8.360 nan 0.000 0.466 332 W N -0.028 121.360 121.300 0.146 0.000 2.525 332 W HA 0.053 4.713 4.660 0.000 0.000 0.259 332 W C 1.262 177.838 176.519 0.094 0.000 1.253 332 W CA -0.102 57.291 57.345 0.080 0.000 1.262 332 W CB -0.927 28.536 29.460 0.005 0.000 1.122 332 W HN -0.019 nan 8.180 nan 0.000 0.607 333 F N 3.120 122.892 119.950 -0.298 0.000 2.126 333 F HA -0.296 4.231 4.527 0.000 0.000 0.299 333 F C 3.070 178.908 175.800 0.062 0.000 1.096 333 F CA 2.833 60.745 58.000 -0.146 0.000 1.255 333 F CB -0.556 38.287 39.000 -0.261 0.000 0.997 333 F HN -0.127 nan 8.300 nan 0.000 0.479 334 Q N 1.019 120.965 119.800 0.244 0.000 2.234 334 Q HA -0.258 4.082 4.340 0.000 0.000 0.206 334 Q C 1.685 177.754 176.000 0.115 0.000 0.980 334 Q CA 1.986 57.899 55.803 0.183 0.000 0.869 334 Q CB -0.497 28.330 28.738 0.148 0.000 0.912 334 Q HN 0.591 nan 8.270 nan 0.000 0.436 335 E N 0.273 120.548 120.200 0.126 0.000 2.338 335 E HA -0.086 4.264 4.350 0.000 0.000 0.197 335 E C 1.984 178.616 176.600 0.052 0.000 1.007 335 E CA 0.515 56.976 56.400 0.102 0.000 0.849 335 E CB -0.044 29.739 29.700 0.139 0.000 0.774 335 E HN 0.407 nan 8.360 nan 0.000 0.506 336 L N -0.274 120.945 121.223 -0.007 0.000 2.376 336 L HA 0.001 4.341 4.340 0.000 0.000 0.219 336 L C 1.444 178.315 176.870 0.000 0.000 1.133 336 L CA 0.496 55.293 54.840 -0.072 0.000 0.816 336 L CB -0.454 41.431 42.059 -0.290 0.000 0.933 336 L HN 0.248 nan 8.230 nan 0.000 0.449 337 G N 1.015 109.839 108.800 0.040 0.000 2.249 337 G HA2 -0.283 3.677 3.960 0.000 0.000 0.273 337 G HA3 -0.283 3.677 3.960 0.000 0.000 0.273 337 G C 0.062 175.044 174.900 0.136 0.000 1.036 337 G CA 0.018 45.177 45.100 0.098 0.000 0.824 337 G HN 0.257 nan 8.290 nan 0.000 0.504 338 L N -0.644 120.604 121.223 0.041 0.000 2.379 338 L HA 0.789 5.129 4.340 0.000 0.000 0.269 338 L C 0.655 177.447 176.870 -0.130 0.000 1.084 338 L CA -0.530 54.287 54.840 -0.038 0.000 0.802 338 L CB 1.600 43.552 42.059 -0.177 0.000 1.175 338 L HN 0.518 nan 8.230 nan 0.000 0.448 339 K N 0.802 120.966 120.400 -0.392 0.000 2.578 339 K HA 0.518 4.838 4.320 0.000 0.000 0.287 339 K C -2.016 174.585 176.600 0.002 0.000 1.010 339 K CA -1.059 55.103 56.287 -0.209 0.000 0.889 339 K CB 2.282 34.574 32.500 -0.347 0.000 1.514 339 K HN 0.581 nan 8.250 nan 0.000 0.424 340 W N 1.727 122.986 121.300 -0.068 0.000 3.137 340 W HA 0.339 4.999 4.660 0.000 0.000 0.324 340 W C -1.337 175.199 176.519 0.028 0.000 1.253 340 W CA -0.803 56.544 57.345 0.004 0.000 1.183 340 W CB 1.576 30.917 29.460 -0.198 0.000 1.424 340 W HN 0.688 nan 8.180 nan 0.000 0.566 341 Y N 0.978 121.128 120.300 -0.250 0.000 2.326 341 Y HA 0.527 5.078 4.550 0.000 0.000 0.333 341 Y C 0.824 176.911 175.900 0.312 0.000 1.240 341 Y CA 0.031 58.100 58.100 -0.051 0.000 1.365 341 Y CB 0.183 38.496 38.460 -0.246 0.000 1.289 341 Y HN 0.342 nan 8.280 nan 0.000 0.548 342 A N 2.334 125.381 122.820 0.379 0.000 2.072 342 A HA 0.101 4.421 4.320 0.000 0.000 0.216 342 A C 0.427 178.355 177.584 0.573 0.000 1.156 342 A CA 0.189 52.510 52.037 0.473 0.000 0.701 342 A CB -0.255 18.859 19.000 0.190 0.000 0.816 342 A HN 0.667 nan 8.150 nan 0.000 0.458 343 L N 1.978 123.482 121.223 0.468 0.000 2.262 343 L HA 0.422 4.762 4.340 0.000 0.000 0.288 343 L C -2.579 174.429 176.870 0.229 0.000 1.035 343 L CA -2.158 52.858 54.840 0.294 0.000 0.820 343 L CB 1.543 43.699 42.059 0.162 0.000 1.204 343 L HN -0.046 nan 8.230 nan 0.000 0.424 344 P HA 0.380 nan 4.420 nan 0.000 0.291 344 P C -1.498 175.695 177.300 -0.180 0.000 1.378 344 P CA -0.327 62.584 63.100 -0.316 0.000 0.853 344 P CB 1.356 32.456 31.700 -1.000 0.000 1.002 345 A N 4.232 126.965 122.820 -0.145 0.000 2.357 345 A HA 0.460 4.780 4.320 0.000 0.000 0.295 345 A C -0.387 177.000 177.584 -0.329 0.000 1.121 345 A CA -0.691 51.206 52.037 -0.233 0.000 0.742 345 A CB 1.260 20.127 19.000 -0.221 0.000 1.181 345 A HN 0.279 nan 8.150 nan 0.000 0.454 346 V N 2.478 122.059 119.914 -0.555 0.000 2.470 346 V HA 0.362 4.482 4.120 0.000 0.000 0.276 346 V C 1.227 176.916 176.094 -0.676 0.000 1.040 346 V CA 0.960 62.868 62.300 -0.654 0.000 1.008 346 V CB 0.875 32.100 31.823 -0.996 0.000 0.990 346 V HN 1.120 nan 8.190 nan 0.000 0.477 347 A N 4.244 126.843 122.820 -0.369 0.000 2.229 347 A HA 0.112 4.432 4.320 0.000 0.000 0.211 347 A C 1.307 178.817 177.584 -0.124 0.000 1.193 347 A CA 0.453 52.347 52.037 -0.238 0.000 0.879 347 A CB -0.153 18.755 19.000 -0.154 0.000 0.911 347 A HN 0.923 nan 8.150 nan 0.000 0.492 348 N N -1.308 117.326 118.700 -0.111 0.000 2.234 348 N HA 0.308 5.048 4.740 0.000 0.000 0.227 348 N C 0.185 175.715 175.510 0.033 0.000 1.151 348 N CA -0.257 52.779 53.050 -0.023 0.000 0.865 348 N CB 0.158 38.627 38.487 -0.029 0.000 1.066 348 N HN 0.294 nan 8.380 nan 0.000 0.515 349 M N 1.001 120.625 119.600 0.040 0.000 2.369 349 M HA 0.371 4.851 4.480 0.000 0.000 0.291 349 M C -0.596 175.840 176.300 0.227 0.000 1.178 349 M CA -0.837 54.556 55.300 0.155 0.000 0.996 349 M CB 1.882 34.591 32.600 0.182 0.000 1.472 349 M HN 0.123 nan 8.290 nan 0.000 0.496 350 L N 1.983 123.378 121.223 0.287 0.000 2.341 350 L HA 0.550 4.890 4.340 0.000 0.000 0.278 350 L C -1.552 175.548 176.870 0.383 0.000 1.005 350 L CA -1.032 53.993 54.840 0.308 0.000 0.818 350 L CB 1.508 43.707 42.059 0.234 0.000 1.259 350 L HN 0.572 nan 8.230 nan 0.000 0.418 351 L N 4.988 126.435 121.223 0.375 0.000 2.265 351 L HA 0.453 4.794 4.340 0.000 0.000 0.288 351 L C -0.378 176.644 176.870 0.254 0.000 1.058 351 L CA 0.388 55.372 54.840 0.240 0.000 0.809 351 L CB 1.034 43.195 42.059 0.170 0.000 1.179 351 L HN 0.632 nan 8.230 nan 0.000 0.429 352 E N 4.934 125.242 120.200 0.180 0.000 2.166 352 E HA 0.495 4.845 4.350 0.000 0.000 0.275 352 E C -1.845 174.782 176.600 0.045 0.000 0.941 352 E CA -0.428 56.078 56.400 0.176 0.000 0.784 352 E CB 1.871 31.766 29.700 0.324 0.000 1.115 352 E HN 0.527 nan 8.360 nan 0.000 0.399 353 V N 3.211 123.125 119.914 0.001 0.000 2.697 353 V HA 0.486 4.606 4.120 0.000 0.000 0.300 353 V C 0.272 176.263 176.094 -0.172 0.000 1.115 353 V CA 0.465 62.655 62.300 -0.183 0.000 0.912 353 V CB 1.228 32.840 31.823 -0.351 0.000 1.024 353 V HN 0.869 nan 8.190 nan 0.000 0.431 354 G N 4.424 113.171 108.800 -0.087 0.000 2.379 354 G HA2 0.067 4.027 3.960 0.000 0.000 0.297 354 G HA3 0.067 4.027 3.960 0.000 0.000 0.297 354 G C 1.623 176.685 174.900 0.270 0.000 1.004 354 G CA 1.420 46.633 45.100 0.189 0.000 0.921 354 G HN 2.750 nan 8.290 nan 0.000 0.511 355 G N -1.958 106.932 108.800 0.149 0.000 2.253 355 G HA2 -0.266 3.694 3.960 0.000 0.000 0.251 355 G HA3 -0.266 3.694 3.960 0.000 0.000 0.251 355 G C 0.596 175.548 174.900 0.086 0.000 0.998 355 G CA 0.564 45.777 45.100 0.188 0.000 0.621 355 G HN 1.286 nan 8.290 nan 0.000 0.524 356 L N 0.653 121.887 121.223 0.017 0.000 2.418 356 L HA 0.601 4.941 4.340 0.000 0.000 0.265 356 L C 0.400 177.190 176.870 -0.133 0.000 1.143 356 L CA -0.231 54.523 54.840 -0.142 0.000 0.809 356 L CB 0.911 42.800 42.059 -0.282 0.000 1.124 356 L HN 0.211 nan 8.230 nan 0.000 0.456 357 E N 1.944 121.986 120.200 -0.263 0.000 2.224 357 E HA 0.386 4.736 4.350 0.000 0.000 0.265 357 E C -1.576 174.843 176.600 -0.301 0.000 0.878 357 E CA -0.415 55.899 56.400 -0.143 0.000 0.759 357 E CB 1.877 31.531 29.700 -0.076 0.000 1.164 357 E HN 0.252 nan 8.360 nan 0.000 0.414 358 F N 3.460 123.432 119.950 0.038 0.000 2.311 358 F HA 0.303 4.830 4.527 0.000 0.000 0.371 358 F C -1.792 174.080 175.800 0.120 0.000 1.083 358 F CA -2.208 55.832 58.000 0.066 0.000 1.113 358 F CB 1.358 40.389 39.000 0.053 0.000 1.349 358 F HN 0.364 nan 8.300 nan 0.000 0.470 359 P HA -0.067 nan 4.420 nan 0.000 0.225 359 P C -0.123 177.318 177.300 0.234 0.000 1.148 359 P CA 0.751 63.968 63.100 0.195 0.000 0.779 359 P CB 0.442 32.229 31.700 0.145 0.000 0.780 360 A N 0.017 123.028 122.820 0.318 0.000 2.410 360 A HA 0.554 4.874 4.320 0.000 0.000 0.289 360 A C -0.307 177.548 177.584 0.453 0.000 1.200 360 A CA -0.440 51.812 52.037 0.359 0.000 0.751 360 A CB 0.300 19.508 19.000 0.347 0.000 1.161 360 A HN 0.268 nan 8.150 nan 0.000 0.459 361 C N 1.044 120.543 119.300 0.332 0.000 3.253 361 C HA 0.484 4.944 4.460 0.000 0.000 0.230 361 C C -2.848 172.251 174.990 0.182 0.000 1.124 361 C CA -1.573 57.598 59.018 0.255 0.000 1.143 361 C CB -0.202 27.695 27.740 0.261 0.000 1.794 361 C HN 0.587 nan 8.230 nan 0.000 0.617 362 P HA 0.397 nan 4.420 nan 0.000 0.268 362 P C -0.637 176.648 177.300 -0.025 0.000 1.205 362 P CA 0.848 63.877 63.100 -0.117 0.000 0.771 362 P CB 0.653 32.286 31.700 -0.111 0.000 0.858 363 F N 0.242 120.116 119.950 -0.126 0.000 2.626 363 F HA 0.683 5.210 4.527 0.000 0.000 0.311 363 F C -0.772 174.928 175.800 -0.167 0.000 1.088 363 F CA -1.162 56.766 58.000 -0.120 0.000 0.949 363 F CB 1.694 40.484 39.000 -0.350 0.000 1.322 363 F HN 0.377 nan 8.300 nan 0.000 0.461 364 N N -0.136 118.648 118.700 0.140 0.000 2.610 364 N HA 0.731 5.471 4.740 0.000 0.000 0.264 364 N C -1.256 174.191 175.510 -0.104 0.000 1.348 364 N CA -0.433 52.621 53.050 0.007 0.000 0.819 364 N CB 2.005 40.538 38.487 0.078 0.000 1.521 364 N HN 1.078 nan 8.380 nan 0.000 0.497 365 G N -0.791 107.908 108.800 -0.169 0.000 3.214 365 G HA2 0.669 4.630 3.960 0.000 0.000 0.188 365 G HA3 0.669 4.630 3.960 0.000 0.000 0.188 365 G C -1.769 173.087 174.900 -0.073 0.000 1.126 365 G CA -0.707 44.214 45.100 -0.297 0.000 0.796 365 G HN 0.699 nan 8.290 nan 0.000 0.631 366 W N -1.575 119.723 121.300 -0.003 0.000 2.902 366 W HA 0.819 5.479 4.660 0.000 0.000 0.346 366 W C -1.378 175.131 176.519 -0.015 0.000 1.139 366 W CA -2.193 55.166 57.345 0.023 0.000 1.139 366 W CB 0.366 29.875 29.460 0.083 0.000 1.439 366 W HN 0.408 nan 8.180 nan 0.000 0.558 367 Y N 2.248 122.727 120.300 0.297 0.000 2.379 367 Y HA 0.242 4.792 4.550 0.000 0.000 0.337 367 Y C 0.727 176.668 175.900 0.070 0.000 1.238 367 Y CA -0.389 57.760 58.100 0.081 0.000 1.405 367 Y CB 1.004 39.395 38.460 -0.115 0.000 1.310 367 Y HN 0.439 nan 8.280 nan 0.000 0.569 368 M N 1.999 121.739 119.600 0.234 0.000 2.268 368 M HA 0.371 4.851 4.480 0.000 0.000 0.344 368 M C 1.094 177.379 176.300 -0.024 0.000 1.106 368 M CA -0.126 55.239 55.300 0.108 0.000 1.010 368 M CB 1.413 34.059 32.600 0.077 0.000 1.649 368 M HN 0.835 nan 8.290 nan 0.000 0.443 369 G N 1.527 110.269 108.800 -0.095 0.000 2.556 369 G HA2 -0.323 3.637 3.960 0.000 0.000 0.220 369 G HA3 -0.323 3.637 3.960 0.000 0.000 0.220 369 G C 1.138 175.881 174.900 -0.262 0.000 1.156 369 G CA 1.885 46.856 45.100 -0.216 0.000 0.766 369 G HN 0.879 nan 8.290 nan 0.000 0.583 370 T N -0.845 113.575 114.554 -0.223 0.000 2.929 370 T HA -0.031 4.319 4.350 0.000 0.000 0.271 370 T C 1.924 176.448 174.700 -0.293 0.000 1.085 370 T CA 1.615 63.534 62.100 -0.301 0.000 1.125 370 T CB -0.277 68.351 68.868 -0.401 0.000 0.874 370 T HN 0.547 nan 8.240 nan 0.000 0.494 371 E N 0.933 120.986 120.200 -0.245 0.000 2.085 371 E HA -0.062 4.288 4.350 0.000 0.000 0.194 371 E C 2.084 178.404 176.600 -0.467 0.000 0.994 371 E CA 1.439 57.705 56.400 -0.223 0.000 0.801 371 E CB -0.284 29.434 29.700 0.031 0.000 0.743 371 E HN 0.599 nan 8.360 nan 0.000 0.453 372 I N 0.265 120.395 120.570 -0.733 0.000 2.385 372 I HA -0.044 4.126 4.170 0.000 0.000 0.244 372 I C 2.615 178.134 176.117 -0.996 0.000 1.089 372 I CA 0.824 61.391 61.300 -1.223 0.000 1.410 372 I CB -0.479 36.667 38.000 -1.423 0.000 1.117 372 I HN 0.092 nan 8.210 nan 0.000 0.429 373 G N 0.579 109.035 108.800 -0.573 0.000 2.422 373 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 373 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 373 G C 1.568 176.397 174.900 -0.119 0.000 1.146 373 G CA 1.165 46.130 45.100 -0.225 0.000 0.769 373 G HN 0.243 nan 8.290 nan 0.000 0.547 374 V N -0.137 119.652 119.914 -0.208 0.000 2.627 374 V HA 0.108 4.228 4.120 0.000 0.000 0.239 374 V C 2.738 178.755 176.094 -0.128 0.000 1.077 374 V CA 0.730 62.946 62.300 -0.141 0.000 1.103 374 V CB -0.154 31.557 31.823 -0.186 0.000 0.802 374 V HN 0.099 nan 8.190 nan 0.000 0.482 375 R N 0.824 121.208 120.500 -0.194 0.000 2.051 375 R HA -0.027 4.313 4.340 0.000 0.000 0.225 375 R C 1.963 178.191 176.300 -0.119 0.000 1.155 375 R CA 1.552 57.564 56.100 -0.147 0.000 0.945 375 R CB -1.152 29.050 30.300 -0.162 0.000 0.840 375 R HN 0.471 nan 8.270 nan 0.000 0.432 376 D N 0.449 120.669 120.400 -0.300 0.000 2.104 376 D HA -0.135 4.505 4.640 0.000 0.000 0.194 376 D C 1.889 178.220 176.300 0.051 0.000 0.994 376 D CA 1.179 54.995 54.000 -0.306 0.000 0.830 376 D CB -0.180 39.885 40.800 -1.224 0.000 0.959 376 D HN 0.097 nan 8.370 nan 0.000 0.452 377 F N 0.271 120.134 119.950 -0.145 0.000 2.335 377 F HA 0.034 4.562 4.527 0.000 0.000 0.296 377 F C 2.386 178.235 175.800 0.081 0.000 1.091 377 F CA -0.237 57.773 58.000 0.018 0.000 1.399 377 F CB -0.672 38.323 39.000 -0.009 0.000 1.067 377 F HN 0.036 nan 8.300 nan 0.000 0.520 378 C N -1.265 118.157 119.300 0.205 0.000 2.912 378 C HA 0.192 4.652 4.460 0.000 0.000 0.274 378 C C 0.435 175.477 174.990 0.086 0.000 1.248 378 C CA -0.693 58.404 59.018 0.133 0.000 1.694 378 C CB -0.637 27.149 27.740 0.077 0.000 2.024 378 C HN 0.071 nan 8.230 nan 0.000 0.605 379 D N 1.857 122.301 120.400 0.073 0.000 2.488 379 D HA 0.065 4.705 4.640 0.000 0.000 0.238 379 D C 1.564 177.911 176.300 0.078 0.000 1.138 379 D CA 0.519 54.550 54.000 0.052 0.000 0.873 379 D CB 1.017 41.845 40.800 0.045 0.000 1.183 379 D HN 0.424 nan 8.370 nan 0.000 0.458 380 T N -0.260 114.328 114.554 0.057 0.000 2.881 380 T HA -0.238 4.112 4.350 0.000 0.000 0.270 380 T C 1.322 176.056 174.700 0.057 0.000 1.068 380 T CA 0.790 62.927 62.100 0.061 0.000 1.131 380 T CB -0.016 68.882 68.868 0.049 0.000 0.871 380 T HN 0.459 nan 8.240 nan 0.000 0.479 381 Q N 0.771 120.602 119.800 0.053 0.000 2.280 381 Q HA 0.207 4.547 4.340 0.000 0.000 0.202 381 Q C 0.773 176.806 176.000 0.055 0.000 0.903 381 Q CA -0.153 55.678 55.803 0.046 0.000 0.948 381 Q CB 0.126 28.889 28.738 0.042 0.000 1.058 381 Q HN 0.371 nan 8.270 nan 0.000 0.493 382 R N -0.437 120.114 120.500 0.086 0.000 2.618 382 R HA 0.260 4.600 4.340 0.000 0.000 0.108 382 R C 1.314 177.669 176.300 0.091 0.000 1.220 382 R CA -0.356 55.826 56.100 0.136 0.000 1.020 382 R CB -1.104 29.340 30.300 0.240 0.000 0.950 382 R HN 0.074 nan 8.270 nan 0.000 0.397 383 Y N 1.502 121.938 120.300 0.226 0.000 2.516 383 Y HA -0.033 4.517 4.550 0.000 0.000 0.291 383 Y C 0.599 176.587 175.900 0.146 0.000 1.131 383 Y CA 0.691 58.925 58.100 0.223 0.000 1.281 383 Y CB -0.377 38.304 38.460 0.369 0.000 1.013 383 Y HN 0.476 nan 8.280 nan 0.000 0.554 384 N N 0.899 119.745 118.700 0.243 0.000 2.686 384 N HA -0.231 4.509 4.740 0.000 0.000 0.261 384 N C 0.360 175.960 175.510 0.149 0.000 1.001 384 N CA 0.808 53.955 53.050 0.162 0.000 0.764 384 N CB -1.244 37.305 38.487 0.104 0.000 0.898 384 N HN 0.657 nan 8.380 nan 0.000 0.544 385 I N -3.114 117.555 120.570 0.165 0.000 3.883 385 I HA 0.115 4.285 4.170 0.000 0.000 0.326 385 I C 1.608 177.804 176.117 0.131 0.000 1.283 385 I CA -0.415 60.950 61.300 0.108 0.000 1.161 385 I CB -0.088 37.930 38.000 0.030 0.000 1.012 385 I HN 0.158 nan 8.210 nan 0.000 0.421 386 L N 2.071 123.396 121.223 0.170 0.000 1.971 386 L HA -0.251 4.089 4.340 0.000 0.000 0.215 386 L C 2.616 179.697 176.870 0.352 0.000 1.072 386 L CA 2.487 57.464 54.840 0.228 0.000 0.758 386 L CB -0.771 41.385 42.059 0.162 0.000 0.889 386 L HN 0.527 nan 8.230 nan 0.000 0.433 387 E N -1.044 119.345 120.200 0.315 0.000 2.085 387 E HA -0.316 4.034 4.350 0.000 0.000 0.194 387 E C 2.065 178.663 176.600 -0.002 0.000 0.994 387 E CA 1.396 57.905 56.400 0.182 0.000 0.801 387 E CB -0.112 29.635 29.700 0.078 0.000 0.743 387 E HN 0.545 nan 8.360 nan 0.000 0.453 388 E N 0.144 120.351 120.200 0.011 0.000 2.051 388 E HA -0.159 4.191 4.350 0.000 0.000 0.192 388 E C 1.996 178.547 176.600 -0.082 0.000 0.991 388 E CA 1.569 57.931 56.400 -0.064 0.000 0.799 388 E CB -0.271 29.401 29.700 -0.047 0.000 0.748 388 E HN 0.197 nan 8.360 nan 0.000 0.449 389 V N 0.268 120.205 119.914 0.039 0.000 2.343 389 V HA -0.181 3.940 4.120 0.000 0.000 0.247 389 V C 2.295 178.436 176.094 0.079 0.000 1.051 389 V CA 1.889 64.263 62.300 0.125 0.000 1.036 389 V CB -1.112 30.883 31.823 0.286 0.000 0.654 389 V HN 0.505 nan 8.190 nan 0.000 0.451 390 G N -0.381 108.501 108.800 0.137 0.000 2.421 390 G HA2 -0.246 3.714 3.960 0.000 0.000 0.216 390 G HA3 -0.246 3.714 3.960 0.000 0.000 0.216 390 G C 1.766 176.554 174.900 -0.186 0.000 1.171 390 G CA 0.687 45.842 45.100 0.091 0.000 0.775 390 G HN 0.407 nan 8.290 nan 0.000 0.543 391 R N -0.080 120.247 120.500 -0.287 0.000 2.081 391 R HA 0.026 4.366 4.340 0.000 0.000 0.235 391 R C 2.771 178.841 176.300 -0.382 0.000 1.131 391 R CA 0.944 56.843 56.100 -0.335 0.000 0.960 391 R CB -0.222 29.893 30.300 -0.308 0.000 0.856 391 R HN 0.271 nan 8.270 nan 0.000 0.436 392 R N -0.051 120.138 120.500 -0.518 0.000 2.189 392 R HA -0.006 4.334 4.340 0.000 0.000 0.223 392 R C 1.898 177.684 176.300 -0.857 0.000 1.092 392 R CA 0.941 56.483 56.100 -0.929 0.000 0.989 392 R CB -0.051 29.261 30.300 -1.647 0.000 0.876 392 R HN 0.250 nan 8.270 nan 0.000 0.457 393 M N -0.470 118.859 119.600 -0.452 0.000 2.556 393 M HA 0.112 4.593 4.480 0.000 0.000 0.245 393 M C 0.688 176.895 176.300 -0.155 0.000 1.128 393 M CA 0.533 55.701 55.300 -0.219 0.000 1.069 393 M CB 0.660 33.253 32.600 -0.013 0.000 1.469 393 M HN 0.358 nan 8.290 nan 0.000 0.494 394 G N 2.075 110.748 108.800 -0.211 0.000 2.246 394 G HA2 -0.230 3.730 3.960 0.000 0.000 0.273 394 G HA3 -0.230 3.730 3.960 0.000 0.000 0.273 394 G C -0.160 174.675 174.900 -0.108 0.000 1.055 394 G CA -0.124 44.881 45.100 -0.158 0.000 0.851 394 G HN 0.398 nan 8.290 nan 0.000 0.500 395 L N -1.082 120.068 121.223 -0.122 0.000 2.431 395 L HA 0.485 4.825 4.340 0.000 0.000 0.260 395 L C 0.941 177.694 176.870 -0.196 0.000 1.098 395 L CA -0.928 53.866 54.840 -0.076 0.000 0.800 395 L CB 0.684 42.772 42.059 0.048 0.000 1.210 395 L HN 0.156 nan 8.230 nan 0.000 0.465 396 E N 0.097 120.219 120.200 -0.130 0.000 1.972 396 E HA -0.003 4.347 4.350 0.000 0.000 0.292 396 E C 0.759 177.080 176.600 -0.465 0.000 1.193 396 E CA -0.060 56.233 56.400 -0.179 0.000 1.228 396 E CB 0.016 29.704 29.700 -0.020 0.000 1.167 396 E HN 0.640 nan 8.360 nan 0.000 0.479 397 T N -1.777 112.220 114.554 -0.928 0.000 3.139 397 T HA -0.156 4.194 4.350 0.000 0.000 0.267 397 T C 1.001 175.114 174.700 -0.980 0.000 1.164 397 T CA 0.778 61.822 62.100 -1.760 0.000 1.075 397 T CB -0.076 67.793 68.868 -1.665 0.000 0.904 397 T HN 0.403 nan 8.240 nan 0.000 0.540 398 H N 0.286 119.169 119.070 -0.311 0.000 2.586 398 H HA 0.290 4.847 4.556 0.000 0.000 0.273 398 H C -0.069 175.269 175.328 0.016 0.000 0.997 398 H CA 0.046 56.033 56.048 -0.101 0.000 1.177 398 H CB 0.653 30.358 29.762 -0.095 0.000 1.471 398 H HN 0.353 nan 8.280 nan 0.000 0.538 399 T N 1.985 116.626 114.554 0.144 0.000 2.963 399 T HA 0.217 4.567 4.350 0.000 0.000 0.328 399 T C 1.489 176.369 174.700 0.299 0.000 1.048 399 T CA -0.372 61.839 62.100 0.185 0.000 1.033 399 T CB 1.456 70.401 68.868 0.129 0.000 1.010 399 T HN 0.071 nan 8.240 nan 0.000 0.469 400 L N 1.903 123.284 121.223 0.264 0.000 2.013 400 L HA -0.196 4.144 4.340 0.000 0.000 0.212 400 L C 2.857 179.806 176.870 0.132 0.000 1.073 400 L CA 1.745 56.709 54.840 0.206 0.000 0.753 400 L CB -0.508 41.620 42.059 0.116 0.000 0.890 400 L HN 0.755 nan 8.230 nan 0.000 0.432 401 A N -0.192 122.695 122.820 0.110 0.000 2.139 401 A HA -0.230 4.090 4.320 0.000 0.000 0.221 401 A C 2.372 180.010 177.584 0.091 0.000 1.159 401 A CA 1.846 53.930 52.037 0.079 0.000 0.662 401 A CB -0.616 18.424 19.000 0.067 0.000 0.796 401 A HN 0.615 nan 8.150 nan 0.000 0.463 402 S N -0.808 114.979 115.700 0.145 0.000 2.515 402 S HA 0.094 4.564 4.470 0.000 0.000 0.231 402 S C 0.907 175.590 174.600 0.139 0.000 0.987 402 S CA 0.734 59.025 58.200 0.152 0.000 0.936 402 S CB -0.679 62.641 63.200 0.201 0.000 0.766 402 S HN 0.922 nan 8.310 nan 0.000 0.528 403 L N 0.188 121.467 121.223 0.093 0.000 4.089 403 L HA -0.169 4.171 4.340 0.000 0.000 0.408 403 L C 1.625 178.500 176.870 0.008 0.000 1.184 403 L CA 0.762 55.600 54.840 -0.003 0.000 0.947 403 L CB -2.679 39.389 42.059 0.015 0.000 2.066 403 L HN 0.758 nan 8.230 nan 0.000 0.851 404 W N 0.434 121.746 121.300 0.020 0.000 2.374 404 W HA -0.152 4.508 4.660 0.000 0.000 0.288 404 W C 1.681 178.217 176.519 0.029 0.000 1.218 404 W CA 1.359 58.715 57.345 0.019 0.000 1.245 404 W CB -0.711 28.745 29.460 -0.006 0.000 1.126 404 W HN 0.278 nan 8.180 nan 0.000 0.545 405 K N 1.034 120.845 120.400 -0.981 0.000 2.057 405 K HA -0.163 4.157 4.320 0.000 0.000 0.207 405 K C 1.500 177.914 176.600 -0.311 0.000 1.049 405 K CA 2.305 58.049 56.287 -0.904 0.000 0.931 405 K CB -0.367 31.531 32.500 -1.004 0.000 0.714 405 K HN 0.067 nan 8.250 nan 0.000 0.440 406 D N 0.224 120.501 120.400 -0.205 0.000 2.117 406 D HA -0.103 4.537 4.640 0.000 0.000 0.197 406 D C 1.927 178.231 176.300 0.006 0.000 0.987 406 D CA 1.050 55.004 54.000 -0.077 0.000 0.829 406 D CB 0.052 40.823 40.800 -0.049 0.000 0.961 406 D HN 0.107 nan 8.370 nan 0.000 0.460 407 R N 0.452 120.982 120.500 0.050 0.000 2.075 407 R HA 0.033 4.373 4.340 0.000 0.000 0.232 407 R C 2.275 178.676 176.300 0.168 0.000 1.126 407 R CA 1.133 57.306 56.100 0.122 0.000 0.963 407 R CB -0.259 30.136 30.300 0.160 0.000 0.858 407 R HN 0.140 nan 8.270 nan 0.000 0.435 408 A N 0.631 123.559 122.820 0.181 0.000 1.858 408 A HA -0.132 4.188 4.320 0.000 0.000 0.216 408 A C 2.278 179.982 177.584 0.201 0.000 1.190 408 A CA 1.441 53.623 52.037 0.241 0.000 0.617 408 A CB -0.869 18.310 19.000 0.298 0.000 0.827 408 A HN 0.200 nan 8.150 nan 0.000 0.443 409 V N -0.099 119.878 119.914 0.105 0.000 2.392 409 V HA -0.227 3.893 4.120 0.000 0.000 0.249 409 V C 2.549 178.703 176.094 0.100 0.000 1.059 409 V CA 2.993 65.344 62.300 0.086 0.000 1.051 409 V CB -0.862 30.963 31.823 0.003 0.000 0.658 409 V HN 0.638 nan 8.190 nan 0.000 0.455 410 T N -0.272 114.342 114.554 0.101 0.000 2.788 410 T HA -0.125 4.226 4.350 0.000 0.000 0.268 410 T C 1.773 176.553 174.700 0.133 0.000 1.044 410 T CA 1.492 63.656 62.100 0.107 0.000 1.139 410 T CB -0.233 68.697 68.868 0.103 0.000 0.867 410 T HN 0.511 nan 8.240 nan 0.000 0.454 411 E N 0.835 121.157 120.200 0.203 0.000 2.150 411 E HA 0.048 4.398 4.350 0.000 0.000 0.193 411 E C 2.163 178.886 176.600 0.205 0.000 0.985 411 E CA 0.536 57.103 56.400 0.279 0.000 0.814 411 E CB -0.301 29.659 29.700 0.433 0.000 0.752 411 E HN 0.536 nan 8.360 nan 0.000 0.466 412 I N 1.427 122.136 120.570 0.232 0.000 2.252 412 I HA -0.233 3.937 4.170 0.000 0.000 0.245 412 I C 1.991 178.168 176.117 0.100 0.000 1.102 412 I CA 0.704 62.148 61.300 0.239 0.000 1.385 412 I CB -0.251 37.961 38.000 0.355 0.000 1.064 412 I HN 0.021 nan 8.210 nan 0.000 0.414 413 N N 0.616 119.356 118.700 0.067 0.000 2.166 413 N HA -0.126 4.614 4.740 0.000 0.000 0.186 413 N C 1.941 177.438 175.510 -0.022 0.000 1.019 413 N CA 1.118 54.173 53.050 0.008 0.000 0.856 413 N CB -0.271 38.230 38.487 0.024 0.000 0.993 413 N HN 0.154 nan 8.380 nan 0.000 0.426 414 V N 1.569 121.457 119.914 -0.044 0.000 2.343 414 V HA -0.187 3.933 4.120 0.000 0.000 0.247 414 V C 2.425 178.382 176.094 -0.228 0.000 1.051 414 V CA 1.734 63.951 62.300 -0.138 0.000 1.036 414 V CB -0.889 30.809 31.823 -0.208 0.000 0.654 414 V HN 0.275 nan 8.190 nan 0.000 0.451 415 A N -0.175 122.454 122.820 -0.317 0.000 1.883 415 A HA -0.180 4.140 4.320 0.000 0.000 0.217 415 A C 2.404 179.931 177.584 -0.096 0.000 1.186 415 A CA 2.220 54.022 52.037 -0.392 0.000 0.624 415 A CB -0.758 17.698 19.000 -0.908 0.000 0.822 415 A HN 0.328 nan 8.150 nan 0.000 0.444 416 V N 0.144 120.046 119.914 -0.019 0.000 2.255 416 V HA -0.287 3.833 4.120 0.000 0.000 0.247 416 V C 2.605 178.733 176.094 0.057 0.000 1.051 416 V CA 2.127 64.462 62.300 0.057 0.000 1.018 416 V CB -0.834 30.947 31.823 -0.070 0.000 0.641 416 V HN 0.575 nan 8.190 nan 0.000 0.445 417 L N -0.625 120.587 121.223 -0.020 0.000 2.017 417 L HA -0.220 4.120 4.340 0.000 0.000 0.208 417 L C 2.649 179.546 176.870 0.044 0.000 1.073 417 L CA 2.126 56.961 54.840 -0.009 0.000 0.745 417 L CB -0.984 41.063 42.059 -0.019 0.000 0.894 417 L HN 0.502 nan 8.230 nan 0.000 0.432 418 H N -0.016 119.010 119.070 -0.073 0.000 2.352 418 H HA -0.153 4.404 4.556 0.000 0.000 0.299 418 H C 2.259 177.571 175.328 -0.027 0.000 1.097 418 H CA 1.917 57.911 56.048 -0.090 0.000 1.311 418 H CB 0.342 29.983 29.762 -0.201 0.000 1.377 418 H HN 0.267 nan 8.280 nan 0.000 0.504 419 S N 0.209 115.850 115.700 -0.098 0.000 2.368 419 S HA -0.111 4.359 4.470 0.000 0.000 0.224 419 S C 1.986 176.552 174.600 -0.058 0.000 1.029 419 S CA 1.166 59.303 58.200 -0.106 0.000 0.988 419 S CB -0.504 62.727 63.200 0.051 0.000 0.838 419 S HN 0.285 nan 8.310 nan 0.000 0.462 420 F N 2.068 121.954 119.950 -0.107 0.000 2.134 420 F HA -0.097 4.430 4.527 0.000 0.000 0.299 420 F C 2.669 178.408 175.800 -0.101 0.000 1.097 420 F CA 1.124 59.080 58.000 -0.073 0.000 1.264 420 F CB -0.618 38.356 39.000 -0.043 0.000 1.001 420 F HN 0.209 nan 8.300 nan 0.000 0.479 421 Q N -0.108 119.728 119.800 0.059 0.000 2.050 421 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 421 Q C 2.237 178.176 176.000 -0.102 0.000 0.980 421 Q CA 1.781 57.566 55.803 -0.030 0.000 0.840 421 Q CB -0.315 28.396 28.738 -0.046 0.000 0.898 421 Q HN 0.323 nan 8.270 nan 0.000 0.424 422 K N 0.764 121.037 120.400 -0.211 0.000 2.147 422 K HA -0.180 4.140 4.320 0.000 0.000 0.205 422 K C 1.398 177.913 176.600 -0.142 0.000 1.049 422 K CA 1.256 57.411 56.287 -0.220 0.000 0.936 422 K CB 0.174 32.443 32.500 -0.386 0.000 0.722 422 K HN 0.161 nan 8.250 nan 0.000 0.446 423 Q N 0.352 120.068 119.800 -0.139 0.000 2.280 423 Q HA 0.111 4.451 4.340 0.000 0.000 0.202 423 Q C -0.687 175.255 176.000 -0.096 0.000 0.903 423 Q CA -0.215 55.516 55.803 -0.120 0.000 0.948 423 Q CB 0.520 29.163 28.738 -0.157 0.000 1.058 423 Q HN 0.281 nan 8.270 nan 0.000 0.493 424 N N -0.130 118.526 118.700 -0.073 0.000 2.727 424 N HA -0.148 4.592 4.740 0.000 0.000 0.249 424 N C -1.342 174.146 175.510 -0.036 0.000 1.048 424 N CA 0.599 53.619 53.050 -0.051 0.000 0.714 424 N CB -1.357 37.100 38.487 -0.050 0.000 0.959 424 N HN 0.031 nan 8.380 nan 0.000 0.544 425 V N 0.778 120.686 119.914 -0.010 0.000 2.417 425 V HA 0.257 4.377 4.120 0.000 0.000 0.291 425 V C 0.861 177.069 176.094 0.190 0.000 1.024 425 V CA -0.660 61.673 62.300 0.054 0.000 0.861 425 V CB 2.029 33.808 31.823 -0.075 0.000 0.985 425 V HN 0.175 nan 8.190 nan 0.000 0.436 426 T N 6.431 121.047 114.554 0.103 0.000 2.908 426 T HA 0.406 4.756 4.350 0.000 0.000 0.301 426 T C -0.238 174.519 174.700 0.094 0.000 1.019 426 T CA 0.902 62.986 62.100 -0.027 0.000 1.152 426 T CB 0.051 68.787 68.868 -0.221 0.000 0.966 426 T HN 0.588 nan 8.240 nan 0.000 0.540 427 I N 2.386 122.923 120.570 -0.055 0.000 2.842 427 I HA 0.504 4.675 4.170 0.000 0.000 0.296 427 I C -1.683 174.406 176.117 -0.045 0.000 1.538 427 I CA -0.934 60.340 61.300 -0.043 0.000 0.994 427 I CB 1.963 39.810 38.000 -0.256 0.000 1.372 427 I HN 0.624 nan 8.210 nan 0.000 0.478 428 M N 6.438 126.077 119.600 0.064 0.000 2.395 428 M HA 0.378 4.858 4.480 0.000 0.000 0.307 428 M C -1.311 175.033 176.300 0.072 0.000 1.091 428 M CA -0.667 54.686 55.300 0.087 0.000 0.919 428 M CB 1.604 34.338 32.600 0.223 0.000 1.662 428 M HN 0.619 nan 8.290 nan 0.000 0.440 429 D N 3.500 123.931 120.400 0.052 0.000 2.360 429 D HA -0.010 4.630 4.640 0.000 0.000 0.242 429 D C 0.622 176.960 176.300 0.064 0.000 1.184 429 D CA -0.092 53.949 54.000 0.068 0.000 0.930 429 D CB 0.514 41.335 40.800 0.036 0.000 1.161 429 D HN 0.830 nan 8.370 nan 0.000 0.447 430 H N 0.044 119.063 119.070 -0.085 0.000 2.495 430 H HA -0.100 4.456 4.556 0.000 0.000 0.287 430 H C 1.280 176.504 175.328 -0.173 0.000 1.033 430 H CA 1.000 56.956 56.048 -0.152 0.000 1.307 430 H CB -0.563 29.053 29.762 -0.244 0.000 1.401 430 H HN 0.516 nan 8.280 nan 0.000 0.555 431 H N 1.021 119.889 119.070 -0.336 0.000 2.307 431 H HA -0.023 4.533 4.556 0.000 0.000 0.303 431 H C 1.927 177.225 175.328 -0.049 0.000 1.073 431 H CA 1.904 57.837 56.048 -0.192 0.000 1.338 431 H CB -0.226 29.391 29.762 -0.241 0.000 1.389 431 H HN 0.364 nan 8.280 nan 0.000 0.503 432 T N 1.325 115.930 114.554 0.085 0.000 2.720 432 T HA -0.117 4.233 4.350 0.000 0.000 0.268 432 T C 2.324 177.089 174.700 0.107 0.000 1.037 432 T CA 1.221 63.372 62.100 0.085 0.000 1.144 432 T CB -0.424 68.486 68.868 0.070 0.000 0.864 432 T HN 0.425 nan 8.240 nan 0.000 0.444 433 A N 1.439 124.324 122.820 0.107 0.000 1.902 433 A HA -0.113 4.208 4.320 0.000 0.000 0.217 433 A C 2.630 180.306 177.584 0.153 0.000 1.181 433 A CA 2.018 54.139 52.037 0.140 0.000 0.623 433 A CB -0.934 18.141 19.000 0.125 0.000 0.818 433 A HN 0.446 nan 8.150 nan 0.000 0.443 434 S N -0.223 115.547 115.700 0.117 0.000 2.356 434 S HA -0.182 4.288 4.470 0.000 0.000 0.223 434 S C 1.847 176.561 174.600 0.191 0.000 1.032 434 S CA 1.577 59.864 58.200 0.145 0.000 1.005 434 S CB -0.358 62.898 63.200 0.094 0.000 0.867 434 S HN 0.705 nan 8.310 nan 0.000 0.449 435 E N 0.829 121.117 120.200 0.147 0.000 2.110 435 E HA -0.117 4.233 4.350 0.000 0.000 0.193 435 E C 2.274 178.954 176.600 0.134 0.000 0.988 435 E CA 1.090 57.568 56.400 0.129 0.000 0.804 435 E CB -0.216 29.543 29.700 0.097 0.000 0.745 435 E HN 0.427 nan 8.360 nan 0.000 0.458 436 S N 0.486 116.277 115.700 0.151 0.000 2.359 436 S HA -0.201 4.269 4.470 0.000 0.000 0.224 436 S C 1.792 176.500 174.600 0.181 0.000 1.035 436 S CA 1.070 59.362 58.200 0.155 0.000 1.018 436 S CB -0.306 62.997 63.200 0.172 0.000 0.876 436 S HN 0.335 nan 8.310 nan 0.000 0.448 437 F N 1.672 121.685 119.950 0.105 0.000 2.186 437 F HA 0.028 4.555 4.527 0.000 0.000 0.299 437 F C 2.140 178.031 175.800 0.152 0.000 1.090 437 F CA 1.390 59.469 58.000 0.132 0.000 1.307 437 F CB -0.299 38.759 39.000 0.098 0.000 1.019 437 F HN 0.197 nan 8.300 nan 0.000 0.489 438 M N 0.181 119.843 119.600 0.104 0.000 2.117 438 M HA -0.186 4.294 4.480 0.000 0.000 0.262 438 M C 2.226 178.486 176.300 -0.066 0.000 1.065 438 M CA 1.568 56.880 55.300 0.019 0.000 1.114 438 M CB -1.216 31.447 32.600 0.105 0.000 1.361 438 M HN 0.082 nan 8.290 nan 0.000 0.408 439 K N -0.269 120.124 120.400 -0.012 0.000 2.057 439 K HA -0.212 4.108 4.320 0.000 0.000 0.207 439 K C 1.986 178.556 176.600 -0.049 0.000 1.049 439 K CA 1.880 58.160 56.287 -0.011 0.000 0.931 439 K CB -0.634 31.886 32.500 0.033 0.000 0.714 439 K HN 0.405 nan 8.250 nan 0.000 0.440 440 H N -0.189 118.777 119.070 -0.174 0.000 2.321 440 H HA -0.056 4.500 4.556 0.000 0.000 0.300 440 H C 2.024 177.178 175.328 -0.290 0.000 1.087 440 H CA 2.473 58.391 56.048 -0.216 0.000 1.319 440 H CB -0.213 29.391 29.762 -0.263 0.000 1.379 440 H HN 0.276 nan 8.280 nan 0.000 0.501 441 M N 0.018 119.252 119.600 -0.610 0.000 2.108 441 M HA -0.243 4.237 4.480 0.000 0.000 0.261 441 M C 1.948 178.160 176.300 -0.147 0.000 1.066 441 M CA 2.072 57.090 55.300 -0.470 0.000 1.107 441 M CB -0.005 32.365 32.600 -0.383 0.000 1.356 441 M HN 0.483 nan 8.290 nan 0.000 0.406 442 Q N -0.338 119.381 119.800 -0.134 0.000 2.230 442 Q HA -0.097 4.244 4.340 0.000 0.000 0.202 442 Q C 1.585 177.553 176.000 -0.054 0.000 0.963 442 Q CA 1.134 56.904 55.803 -0.056 0.000 0.866 442 Q CB -0.151 28.546 28.738 -0.068 0.000 0.931 442 Q HN 0.567 nan 8.270 nan 0.000 0.452 443 N N 0.557 119.184 118.700 -0.121 0.000 2.216 443 N HA -0.117 4.623 4.740 0.000 0.000 0.183 443 N C 1.534 176.962 175.510 -0.137 0.000 1.017 443 N CA 0.886 53.878 53.050 -0.096 0.000 0.861 443 N CB 0.030 38.477 38.487 -0.068 0.000 0.986 443 N HN 0.224 nan 8.380 nan 0.000 0.428 444 E N 0.215 120.247 120.200 -0.280 0.000 2.072 444 E HA -0.123 4.227 4.350 0.000 0.000 0.191 444 E C 1.796 178.255 176.600 -0.235 0.000 0.985 444 E CA 0.785 56.989 56.400 -0.326 0.000 0.801 444 E CB -0.398 28.983 29.700 -0.531 0.000 0.750 444 E HN 0.474 nan 8.360 nan 0.000 0.452 445 Y N 1.063 121.266 120.300 -0.161 0.000 2.224 445 Y HA -0.129 4.422 4.550 0.000 0.000 0.289 445 Y C 2.596 178.447 175.900 -0.082 0.000 1.146 445 Y CA 1.321 59.362 58.100 -0.097 0.000 1.182 445 Y CB -0.059 38.346 38.460 -0.092 0.000 0.983 445 Y HN -0.027 nan 8.280 nan 0.000 0.524 446 R N -0.634 119.891 120.500 0.043 0.000 2.066 446 R HA -0.116 4.224 4.340 0.000 0.000 0.232 446 R C 2.511 178.801 176.300 -0.018 0.000 1.131 446 R CA 1.145 57.249 56.100 0.006 0.000 0.955 446 R CB -0.561 29.735 30.300 -0.007 0.000 0.851 446 R HN 0.298 nan 8.270 nan 0.000 0.432 447 A N 1.611 124.406 122.820 -0.041 0.000 1.873 447 A HA -0.158 4.163 4.320 0.000 0.000 0.215 447 A C 1.717 179.269 177.584 -0.053 0.000 1.186 447 A CA 1.584 53.598 52.037 -0.039 0.000 0.616 447 A CB -0.145 18.832 19.000 -0.038 0.000 0.823 447 A HN 0.432 nan 8.150 nan 0.000 0.442 448 R N -2.685 117.756 120.500 -0.100 0.000 2.592 448 R HA 0.411 4.751 4.340 0.000 0.000 0.439 448 R C 0.659 176.889 176.300 -0.116 0.000 0.995 448 R CA 0.366 56.409 56.100 -0.095 0.000 1.141 448 R CB -0.694 29.542 30.300 -0.106 0.000 1.495 448 R HN 0.881 nan 8.270 nan 0.000 0.579 449 G N -0.028 108.696 108.800 -0.127 0.000 2.273 449 G HA2 -0.027 3.933 3.960 0.000 0.000 0.280 449 G HA3 -0.027 3.933 3.960 0.000 0.000 0.280 449 G C 0.247 174.939 174.900 -0.345 0.000 1.047 449 G CA 0.187 45.217 45.100 -0.117 0.000 0.869 449 G HN 1.004 nan 8.290 nan 0.000 0.502 450 G N -2.552 105.750 108.800 -0.830 0.000 2.347 450 G HA2 0.542 4.502 3.960 0.000 0.000 0.303 450 G HA3 0.542 4.502 3.960 0.000 0.000 0.303 450 G C -0.814 173.655 174.900 -0.718 0.000 1.481 450 G CA 0.228 44.708 45.100 -1.033 0.000 0.914 450 G HN 1.882 nan 8.290 nan 0.000 0.638 451 C N 2.742 121.778 119.300 -0.439 0.000 2.982 451 C HA 0.655 5.115 4.460 0.000 0.000 0.372 451 C C -2.474 172.429 174.990 -0.146 0.000 1.061 451 C CA -1.265 57.625 59.018 -0.215 0.000 1.309 451 C CB 0.957 28.611 27.740 -0.143 0.000 1.766 451 C HN 0.699 nan 8.230 nan 0.000 0.504 452 P HA 0.344 nan 4.420 nan 0.000 0.263 452 P C -0.562 176.614 177.300 -0.206 0.000 1.195 452 P CA 0.765 63.435 63.100 -0.717 0.000 0.762 452 P CB 0.890 32.059 31.700 -0.886 0.000 0.799 453 A N 2.836 125.599 122.820 -0.095 0.000 2.459 453 A HA 0.401 4.721 4.320 0.000 0.000 0.296 453 A C -0.998 176.630 177.584 0.073 0.000 1.039 453 A CA -0.563 51.513 52.037 0.064 0.000 0.698 453 A CB 1.273 20.426 19.000 0.254 0.000 1.261 453 A HN 0.435 nan 8.150 nan 0.000 0.405 454 D N 2.137 122.578 120.400 0.069 0.000 2.467 454 D HA 0.140 4.781 4.640 0.000 0.000 0.220 454 D C 0.837 177.269 176.300 0.219 0.000 1.103 454 D CA -0.525 53.565 54.000 0.149 0.000 0.886 454 D CB 0.268 41.128 40.800 0.099 0.000 1.025 454 D HN 0.596 nan 8.370 nan 0.000 0.514 455 W N 4.334 125.673 121.300 0.064 0.000 2.305 455 W HA -0.248 4.412 4.660 0.000 0.000 0.308 455 W C 1.727 178.288 176.519 0.070 0.000 1.226 455 W CA 1.330 58.701 57.345 0.043 0.000 1.253 455 W CB -0.096 29.370 29.460 0.011 0.000 1.146 455 W HN 0.480 nan 8.180 nan 0.000 0.507 456 I N -1.173 119.711 120.570 0.524 0.000 2.335 456 I HA -0.303 3.867 4.170 0.000 0.000 0.251 456 I C 1.724 177.987 176.117 0.243 0.000 1.129 456 I CA 1.398 62.952 61.300 0.425 0.000 1.402 456 I CB -0.608 37.650 38.000 0.429 0.000 1.069 456 I HN 0.102 nan 8.210 nan 0.000 0.424 457 W N 0.035 121.337 121.300 0.003 0.000 2.704 457 W HA 0.153 4.813 4.660 0.000 0.000 0.266 457 W C 2.184 178.611 176.519 -0.154 0.000 1.266 457 W CA 0.198 57.513 57.345 -0.050 0.000 1.377 457 W CB -0.262 29.192 29.460 -0.010 0.000 1.082 457 W HN -0.055 nan 8.180 nan 0.000 0.608 458 L N -0.266 120.940 121.223 -0.028 0.000 2.240 458 L HA 0.001 4.341 4.340 0.000 0.000 0.211 458 L C 0.626 177.307 176.870 -0.313 0.000 1.106 458 L CA 0.352 55.047 54.840 -0.242 0.000 0.793 458 L CB -0.873 40.942 42.059 -0.407 0.000 0.927 458 L HN -0.403 nan 8.230 nan 0.000 0.446 459 V N 1.489 121.137 119.914 -0.442 0.000 2.470 459 V HA 0.125 4.245 4.120 0.000 0.000 0.276 459 V C -1.857 174.077 176.094 -0.268 0.000 1.040 459 V CA -1.323 60.703 62.300 -0.456 0.000 1.008 459 V CB 0.443 31.782 31.823 -0.807 0.000 0.990 459 V HN 0.034 nan 8.190 nan 0.000 0.477 460 P HA 0.079 nan 4.420 nan 0.000 0.268 460 P C -1.722 175.463 177.300 -0.193 0.000 1.208 460 P CA -0.949 62.042 63.100 -0.181 0.000 0.777 460 P CB 0.055 31.674 31.700 -0.135 0.000 0.875 461 P HA -0.071 nan 4.420 nan 0.000 0.231 461 P C -0.022 177.177 177.300 -0.169 0.000 1.158 461 P CA 1.068 64.054 63.100 -0.190 0.000 0.763 461 P CB 0.085 31.661 31.700 -0.207 0.000 0.805 462 V N -6.705 113.086 119.914 -0.205 0.000 3.114 462 V HA 0.565 4.685 4.120 0.000 0.000 0.308 462 V C 0.382 176.425 176.094 -0.085 0.000 1.168 462 V CA -0.916 61.297 62.300 -0.146 0.000 1.015 462 V CB 1.328 33.051 31.823 -0.168 0.000 1.050 462 V HN -0.139 nan 8.190 nan 0.000 0.433 463 S N 0.950 116.637 115.700 -0.021 0.000 3.533 463 S HA -0.199 4.271 4.470 0.000 0.000 0.347 463 S C 1.580 176.165 174.600 -0.026 0.000 1.101 463 S CA 1.279 59.495 58.200 0.026 0.000 1.009 463 S CB -1.554 61.745 63.200 0.165 0.000 0.916 463 S HN 2.069 nan 8.310 nan 0.000 0.496 464 G N 2.389 111.143 108.800 -0.075 0.000 2.719 464 G HA2 -0.366 3.594 3.960 0.000 0.000 0.219 464 G HA3 -0.366 3.594 3.960 0.000 0.000 0.219 464 G C 1.461 176.180 174.900 -0.302 0.000 1.234 464 G CA 1.726 46.769 45.100 -0.095 0.000 0.788 464 G HN 1.357 nan 8.290 nan 0.000 0.619 465 S N 0.122 115.337 115.700 -0.808 0.000 2.555 465 S HA 0.091 4.561 4.470 0.000 0.000 0.230 465 S C 2.023 176.557 174.600 -0.110 0.000 0.978 465 S CA 0.639 58.245 58.200 -0.990 0.000 0.934 465 S CB -0.065 62.440 63.200 -1.157 0.000 0.766 465 S HN 0.225 nan 8.310 nan 0.000 0.533 466 I N 2.822 123.369 120.570 -0.040 0.000 3.059 466 I HA 0.040 4.210 4.170 0.000 0.000 0.270 466 I C 1.376 177.595 176.117 0.170 0.000 1.238 466 I CA 0.639 61.996 61.300 0.096 0.000 1.478 466 I CB -1.901 36.178 38.000 0.132 0.000 1.097 466 I HN 0.490 nan 8.210 nan 0.000 0.455 467 T N -0.724 113.917 114.554 0.145 0.000 2.909 467 T HA 0.313 4.663 4.350 0.000 0.000 0.286 467 T C -1.324 173.530 174.700 0.256 0.000 1.002 467 T CA -1.693 60.508 62.100 0.168 0.000 1.074 467 T CB 2.156 71.071 68.868 0.079 0.000 0.984 467 T HN -0.064 nan 8.240 nan 0.000 0.495 468 P HA -0.084 nan 4.420 nan 0.000 0.219 468 P C 1.850 179.344 177.300 0.324 0.000 1.150 468 P CA 1.054 64.337 63.100 0.306 0.000 0.814 468 P CB -0.334 31.490 31.700 0.207 0.000 0.787 469 V N -3.090 116.961 119.914 0.227 0.000 2.469 469 V HA -0.234 3.886 4.120 0.000 0.000 0.251 469 V C 2.404 178.578 176.094 0.133 0.000 1.064 469 V CA 1.526 63.926 62.300 0.167 0.000 1.066 469 V CB -2.355 29.486 31.823 0.030 0.000 0.667 469 V HN -0.101 nan 8.190 nan 0.000 0.461 470 F N 1.993 121.903 119.950 -0.066 0.000 2.154 470 F HA -0.190 4.337 4.527 0.000 0.000 0.301 470 F C 2.435 178.370 175.800 0.225 0.000 1.087 470 F CA 2.319 60.293 58.000 -0.043 0.000 1.274 470 F CB -0.413 38.458 39.000 -0.214 0.000 1.009 470 F HN 0.293 nan 8.300 nan 0.000 0.485 471 H N -0.978 118.442 119.070 0.583 0.000 2.539 471 H HA 0.096 4.652 4.556 0.000 0.000 0.267 471 H C 0.325 175.892 175.328 0.398 0.000 0.982 471 H CA 0.262 56.596 56.048 0.476 0.000 1.146 471 H CB -0.182 29.837 29.762 0.429 0.000 1.382 471 H HN 0.258 nan 8.280 nan 0.000 0.577 472 Q N 1.980 122.055 119.800 0.459 0.000 2.303 472 Q HA 0.145 4.485 4.340 0.000 0.000 0.257 472 Q C -0.556 175.670 176.000 0.377 0.000 0.941 472 Q CA -0.363 55.660 55.803 0.368 0.000 0.931 472 Q CB 0.737 29.659 28.738 0.307 0.000 1.215 472 Q HN 0.235 nan 8.270 nan 0.000 0.437 473 E N 3.622 123.994 120.200 0.287 0.000 2.373 473 E HA 0.277 4.628 4.350 0.000 0.000 0.267 473 E C -0.483 176.248 176.600 0.218 0.000 1.032 473 E CA 0.263 56.790 56.400 0.211 0.000 0.889 473 E CB 0.813 30.630 29.700 0.196 0.000 0.984 473 E HN 0.605 nan 8.360 nan 0.000 0.425 474 M N 2.029 121.758 119.600 0.215 0.000 2.593 474 M HA 0.384 4.864 4.480 0.000 0.000 0.290 474 M C -1.398 175.007 176.300 0.176 0.000 1.244 474 M CA -1.100 54.344 55.300 0.239 0.000 0.857 474 M CB 1.555 34.342 32.600 0.312 0.000 1.738 474 M HN 0.183 nan 8.290 nan 0.000 0.461 475 L N 2.173 123.511 121.223 0.192 0.000 2.333 475 L HA 0.501 4.841 4.340 0.000 0.000 0.280 475 L C -0.719 176.202 176.870 0.084 0.000 1.004 475 L CA -0.209 54.735 54.840 0.174 0.000 0.820 475 L CB 1.420 43.645 42.059 0.275 0.000 1.247 475 L HN 0.576 nan 8.230 nan 0.000 0.416 476 N N 3.461 122.163 118.700 0.004 0.000 2.424 476 N HA 0.577 5.318 4.740 0.000 0.000 0.271 476 N C -1.524 173.748 175.510 -0.396 0.000 0.985 476 N CA -0.188 52.745 53.050 -0.195 0.000 0.921 476 N CB 0.678 39.124 38.487 -0.068 0.000 1.149 476 N HN 0.393 nan 8.380 nan 0.000 0.492 477 Y N -0.174 119.880 120.300 -0.409 0.000 2.638 477 Y HA 0.610 5.160 4.550 0.000 0.000 0.335 477 Y C -1.235 174.503 175.900 -0.270 0.000 1.155 477 Y CA -1.345 56.441 58.100 -0.524 0.000 1.046 477 Y CB 0.643 38.928 38.460 -0.292 0.000 1.303 477 Y HN -0.001 nan 8.280 nan 0.000 0.460 478 V N 3.810 123.676 119.914 -0.080 0.000 2.350 478 V HA 0.392 4.512 4.120 0.000 0.000 0.276 478 V C 0.107 176.084 176.094 -0.194 0.000 1.028 478 V CA -0.427 61.678 62.300 -0.326 0.000 0.860 478 V CB 0.515 32.052 31.823 -0.476 0.000 0.990 478 V HN 0.724 nan 8.190 nan 0.000 0.453 479 L N 2.882 124.028 121.223 -0.127 0.000 2.805 479 L HA 0.744 5.085 4.340 0.000 0.000 0.242 479 L C 0.332 177.192 176.870 -0.017 0.000 1.180 479 L CA -0.469 54.374 54.840 0.004 0.000 1.001 479 L CB 1.430 43.537 42.059 0.080 0.000 1.864 479 L HN 0.619 nan 8.230 nan 0.000 0.551 480 S N -0.933 114.796 115.700 0.048 0.000 2.543 480 S HA 0.499 4.969 4.470 0.000 0.000 0.271 480 S C -2.720 171.934 174.600 0.091 0.000 1.148 480 S CA -1.023 57.217 58.200 0.067 0.000 0.914 480 S CB 1.890 65.117 63.200 0.045 0.000 1.096 480 S HN 0.128 nan 8.310 nan 0.000 0.471 481 P HA 0.422 nan 4.420 nan 0.000 0.270 481 P C -1.259 176.016 177.300 -0.041 0.000 1.227 481 P CA 0.003 63.079 63.100 -0.040 0.000 0.788 481 P CB 0.218 31.832 31.700 -0.143 0.000 0.926 482 F N 0.403 120.147 119.950 -0.343 0.000 2.678 482 F HA 0.417 4.944 4.527 0.000 0.000 0.308 482 F C -1.683 173.792 175.800 -0.541 0.000 1.118 482 F CA -0.727 56.988 58.000 -0.475 0.000 0.959 482 F CB 1.123 39.819 39.000 -0.506 0.000 1.305 482 F HN 0.155 nan 8.300 nan 0.000 0.443 483 Y N 4.300 124.083 120.300 -0.862 0.000 2.353 483 Y HA 0.473 5.023 4.550 0.000 0.000 0.340 483 Y C -0.931 174.631 175.900 -0.564 0.000 0.972 483 Y CA -0.740 57.057 58.100 -0.505 0.000 1.157 483 Y CB 0.527 38.697 38.460 -0.482 0.000 1.157 483 Y HN 0.384 nan 8.280 nan 0.000 0.495 484 Y N 1.266 121.612 120.300 0.077 0.000 2.534 484 Y HA 0.425 4.976 4.550 0.000 0.000 0.329 484 Y C -0.331 175.575 175.900 0.009 0.000 1.154 484 Y CA -1.129 57.011 58.100 0.066 0.000 1.192 484 Y CB 0.921 39.480 38.460 0.165 0.000 1.275 484 Y HN 0.416 nan 8.280 nan 0.000 0.491 485 Y N 0.511 120.972 120.300 0.268 0.000 2.295 485 Y HA 0.363 4.913 4.550 0.000 0.000 0.331 485 Y C 0.102 176.057 175.900 0.092 0.000 1.311 485 Y CA -0.938 57.235 58.100 0.122 0.000 1.430 485 Y CB 0.599 39.100 38.460 0.069 0.000 1.339 485 Y HN 0.439 nan 8.280 nan 0.000 0.552 486 Q N 0.276 120.191 119.800 0.191 0.000 2.528 486 Q HA 0.469 4.809 4.340 0.000 0.000 0.289 486 Q C -1.291 174.669 176.000 -0.065 0.000 1.091 486 Q CA -1.206 54.622 55.803 0.041 0.000 0.797 486 Q CB 2.528 31.263 28.738 -0.005 0.000 1.466 486 Q HN 0.353 nan 8.270 nan 0.000 0.436 487 I N 1.843 122.337 120.570 -0.128 0.000 2.575 487 I HA 0.051 4.221 4.170 0.000 0.000 0.285 487 I C 0.168 176.054 176.117 -0.385 0.000 1.085 487 I CA -0.034 61.141 61.300 -0.209 0.000 1.403 487 I CB 0.527 38.419 38.000 -0.179 0.000 1.409 487 I HN 0.604 nan 8.210 nan 0.000 0.557 488 E N 8.337 128.206 120.200 -0.552 0.000 2.558 488 E HA -0.056 4.294 4.350 0.000 0.000 0.255 488 E C -1.365 174.554 176.600 -1.137 0.000 0.968 488 E CA -0.639 55.104 56.400 -1.094 0.000 0.939 488 E CB 0.075 28.870 29.700 -1.509 0.000 0.921 488 E HN 0.378 nan 8.360 nan 0.000 0.477 489 P HA -0.196 nan 4.420 nan 0.000 0.217 489 P C 0.667 177.394 177.300 -0.956 0.000 1.148 489 P CA 1.392 63.867 63.100 -1.042 0.000 0.828 489 P CB -0.098 30.734 31.700 -1.447 0.000 0.783 490 W N 0.752 121.579 121.300 -0.789 0.000 2.825 490 W HA 0.189 4.849 4.660 0.000 0.000 0.243 490 W C 1.494 177.997 176.519 -0.027 0.000 1.293 490 W CA 0.302 57.459 57.345 -0.314 0.000 1.403 490 W CB -1.267 28.175 29.460 -0.030 0.000 1.134 490 W HN -0.103 nan 8.180 nan 0.000 0.666 491 K N 0.275 120.526 120.400 -0.247 0.000 2.379 491 K HA 0.082 4.403 4.320 0.000 0.000 0.194 491 K C 1.528 178.098 176.600 -0.050 0.000 1.031 491 K CA 1.391 57.631 56.287 -0.079 0.000 1.037 491 K CB 0.154 32.541 32.500 -0.188 0.000 0.824 491 K HN 0.297 nan 8.250 nan 0.000 0.516 492 T N -3.513 110.983 114.554 -0.095 0.000 3.016 492 T HA 0.042 4.392 4.350 0.000 0.000 0.271 492 T C 0.073 174.765 174.700 -0.014 0.000 0.968 492 T CA -0.403 61.663 62.100 -0.056 0.000 0.891 492 T CB -0.197 68.612 68.868 -0.099 0.000 1.149 492 T HN 0.054 nan 8.240 nan 0.000 0.524 493 H N 1.913 120.923 119.070 -0.100 0.000 2.899 493 H HA 0.483 5.039 4.556 0.000 0.000 0.303 493 H C -0.320 174.958 175.328 -0.083 0.000 1.042 493 H CA -0.920 55.056 56.048 -0.120 0.000 1.479 493 H CB 0.042 29.717 29.762 -0.145 0.000 1.493 493 H HN 0.332 nan 8.280 nan 0.000 0.534 494 I N 6.479 126.681 120.570 -0.614 0.000 2.291 494 I HA 0.059 4.229 4.170 0.000 0.000 0.292 494 I C -0.280 175.462 176.117 -0.625 0.000 1.064 494 I CA -0.562 60.511 61.300 -0.379 0.000 1.269 494 I CB 0.228 38.111 38.000 -0.194 0.000 1.418 494 I HN 0.524 nan 8.210 nan 0.000 0.485 495 W N 3.919 125.018 121.300 -0.336 0.000 2.181 495 W HA 0.329 4.989 4.660 0.000 0.000 0.335 495 W C 0.875 177.346 176.519 -0.081 0.000 1.310 495 W CA -0.003 57.255 57.345 -0.144 0.000 1.226 495 W CB 0.295 29.777 29.460 0.036 0.000 1.155 495 W HN 0.540 nan 8.180 nan 0.000 0.565 496 Q N 1.933 121.854 119.800 0.202 0.000 2.276 496 Q HA 0.317 4.657 4.340 0.000 0.000 0.267 496 Q C 0.297 176.376 176.000 0.132 0.000 1.135 496 Q CA 0.478 56.351 55.803 0.117 0.000 0.910 496 Q CB -1.230 27.566 28.738 0.096 0.000 1.271 496 Q HN 0.728 nan 8.270 nan 0.000 0.417 497 N N 0.000 118.753 118.700 0.088 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.088 53.050 0.063 0.000 0.885 497 N CB 0.000 38.513 38.487 0.042 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667