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 2e3a_1_A DATA FIRST_RESID 9 DATA SEQUENCE SVTcPGGQST SNSQccVWFD VLDDLQTNFY QGSKcESPVR KILRIVFHDA DATA SEQUENCE IGFSPALTAA GQFGGGGADG SIIAHSNIEL AFPANGGLTD TIEALRAVGI DATA SEQUENCE NHGVSFGDLI QFATAVGMSN cPGSPRLEFL TGRSNSSQPS PPSLIPGPGN DATA SEQUENCE TVTAILDRMG DAGFSPDEVV DLLAAHSLAS QEGLNSAIFR SPLDSTPQVF DATA SEQUENCE DTQFYIETLL KGTTQPGPSL GFAEELSPFP GEFRMRSDAL LARDSRTAcR DATA SEQUENCE WQSMTSSNEV MGQRYRAAMA KMSVLGFDRN ALTDcSDVIP SAVSNNAAPV DATA SEQUENCE IPGGLTVDDI EVScPSEPFP EIATASGPLP SLAPAP 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.620 174.600 0.033 0.000 1.055 9 S CA 0.000 58.219 58.200 0.032 0.000 1.107 9 S CB 0.000 63.220 63.200 0.034 0.000 0.593 10 V N 4.050 123.992 119.914 0.046 0.000 2.546 10 V HA 0.350 4.472 4.120 0.003 0.000 0.284 10 V C -0.393 175.729 176.094 0.047 0.000 1.050 10 V CA -0.128 62.203 62.300 0.050 0.000 0.981 10 V CB 1.102 32.965 31.823 0.068 0.000 0.990 10 V HN -0.017 nan 8.190 nan 0.000 0.474 11 T N 5.615 120.187 114.554 0.031 0.000 2.772 11 T HA 0.423 4.775 4.350 0.003 0.000 0.288 11 T C 0.103 174.812 174.700 0.016 0.000 0.994 11 T CA -0.695 61.412 62.100 0.012 0.000 0.951 11 T CB 0.046 68.913 68.868 -0.002 0.000 0.933 11 T HN 0.249 nan 8.240 nan 0.000 0.447 12 c N 5.070 123.674 118.600 0.006 0.000 2.500 12 c HA 0.254 4.826 4.570 0.003 0.000 0.367 12 c C -0.411 173.672 174.090 -0.011 0.000 1.283 12 c CA -1.382 54.962 56.329 0.025 0.000 2.456 12 c CB 0.519 43.071 42.510 0.070 0.000 2.457 12 c HN 0.664 nan 8.230 nan 0.000 0.632 13 P HA -0.162 nan 4.420 nan 0.000 0.219 13 P C 1.478 178.761 177.300 -0.029 0.000 1.158 13 P CA 2.352 65.448 63.100 -0.007 0.000 0.895 13 P CB -0.104 31.601 31.700 0.007 0.000 0.792 14 G N -2.605 106.165 108.800 -0.050 0.000 2.559 14 G HA2 0.130 4.092 3.960 0.003 0.000 0.216 14 G HA3 0.130 4.092 3.960 0.003 0.000 0.216 14 G C 1.159 175.996 174.900 -0.105 0.000 1.126 14 G CA 0.851 45.907 45.100 -0.074 0.000 0.778 14 G HN 0.529 nan 8.290 nan 0.000 0.543 15 G N -1.097 107.634 108.800 -0.115 0.000 2.231 15 G HA2 -0.234 3.728 3.960 0.003 0.000 0.206 15 G HA3 -0.234 3.728 3.960 0.003 0.000 0.206 15 G C 0.328 175.145 174.900 -0.138 0.000 0.996 15 G CA -0.038 45.001 45.100 -0.101 0.000 0.645 15 G HN 0.565 nan 8.290 nan 0.000 0.498 16 Q N 2.332 121.981 119.800 -0.250 0.000 2.804 16 Q HA -0.095 4.247 4.340 0.003 0.000 0.334 16 Q C 0.033 175.902 176.000 -0.219 0.000 1.105 16 Q CA 0.119 55.658 55.803 -0.441 0.000 1.128 16 Q CB 0.431 28.651 28.738 -0.865 0.000 0.972 16 Q HN -0.092 nan 8.270 nan 0.000 0.403 17 S N 4.640 120.273 115.700 -0.112 0.000 2.475 17 S HA 0.379 4.851 4.470 0.003 0.000 0.281 17 S C -1.175 173.490 174.600 0.109 0.000 1.198 17 S CA -0.463 57.740 58.200 0.005 0.000 1.063 17 S CB 0.759 63.967 63.200 0.013 0.000 0.972 17 S HN 0.045 nan 8.310 nan 0.000 0.486 18 T N 3.465 118.106 114.554 0.146 0.000 2.792 18 T HA 0.414 4.890 4.350 0.211 0.000 0.303 18 T C -0.589 174.189 174.700 0.129 0.000 1.310 18 T CA -1.021 61.204 62.100 0.209 0.000 1.007 18 T CB 2.833 71.918 68.868 0.363 0.000 1.335 18 T HN -0.220 8.085 8.240 0.108 0.000 0.504 19 S N 2.292 118.061 115.700 0.114 0.000 2.436 19 S HA 0.054 4.561 4.470 0.062 0.000 0.228 19 S C 0.007 174.646 174.600 0.064 0.000 1.014 19 S CA 0.722 58.965 58.200 0.073 0.000 0.950 19 S CB 0.794 64.026 63.200 0.055 0.000 0.784 19 S HN 0.281 8.835 8.310 0.132 -0.165 0.504 20 N N -0.413 118.336 118.700 0.082 0.000 2.446 20 N HA 0.034 4.807 4.740 0.055 0.000 0.272 20 N C -1.309 174.255 175.510 0.090 0.000 1.127 20 N CA -0.130 52.960 53.050 0.067 0.000 0.896 20 N CB 1.959 40.473 38.487 0.045 0.000 1.658 20 N HN -0.589 7.814 8.380 0.108 0.041 0.483 21 S N 1.383 117.127 115.700 0.073 0.000 2.474 21 S HA -0.080 4.452 4.470 0.102 0.000 0.235 21 S C 0.799 175.452 174.600 0.088 0.000 0.997 21 S CA 1.376 59.625 58.200 0.082 0.000 0.949 21 S CB -0.064 63.169 63.200 0.056 0.000 0.766 21 S HN 0.390 8.735 8.310 0.058 0.000 0.517 22 Q N -0.324 119.526 119.800 0.083 0.000 2.364 22 Q HA -0.136 4.252 4.340 0.080 0.000 0.207 22 Q C 1.928 178.042 176.000 0.190 0.000 0.970 22 Q CA 1.041 56.905 55.803 0.102 0.000 0.888 22 Q CB -0.342 28.444 28.738 0.079 0.000 0.951 22 Q HN 0.279 8.913 8.270 0.070 -0.322 0.469 23 c N -1.324 117.384 118.600 0.180 0.000 2.514 23 c HA 0.196 4.768 4.570 0.003 0.000 0.271 23 c C 1.505 175.703 174.090 0.181 0.000 1.399 23 c CA -1.242 55.222 56.329 0.224 0.000 1.765 23 c CB -1.672 40.915 42.510 0.128 0.000 1.893 23 c HN -0.144 nan 8.230 nan 0.000 0.531 24 c N 0.740 119.460 118.600 0.200 0.000 2.425 24 c HA 0.062 4.634 4.570 0.003 0.000 0.277 24 c C 1.884 176.059 174.090 0.142 0.000 1.280 24 c CA -1.130 55.369 56.329 0.283 0.000 1.744 24 c CB -0.856 41.769 42.510 0.191 0.000 1.989 24 c HN 0.031 nan 8.230 nan 0.000 0.491 25 V N -0.367 119.509 119.914 -0.063 0.000 2.594 25 V HA -0.010 4.112 4.120 0.003 0.000 0.253 25 V C 1.716 177.553 176.094 -0.428 0.000 1.069 25 V CA 0.301 62.440 62.300 -0.269 0.000 1.082 25 V CB -0.097 31.463 31.823 -0.439 0.000 0.680 25 V HN 0.130 nan 8.190 nan 0.000 0.469 26 W N 0.299 121.417 121.300 -0.303 0.000 2.519 26 W HA -0.092 4.570 4.660 0.003 0.000 0.266 26 W C 2.935 179.202 176.519 -0.421 0.000 1.253 26 W CA 0.267 57.243 57.345 -0.615 0.000 1.274 26 W CB -0.770 28.205 29.460 -0.807 0.000 1.114 26 W HN 0.033 nan 8.180 nan 0.000 0.596 27 F N 1.705 121.712 119.950 0.094 0.000 2.234 27 F HA -0.223 4.306 4.527 0.003 0.000 0.299 27 F C 1.986 177.817 175.800 0.051 0.000 1.087 27 F CA 0.541 58.605 58.000 0.108 0.000 1.340 27 F CB -0.583 38.468 39.000 0.086 0.000 1.031 27 F HN -0.112 nan 8.300 nan 0.000 0.500 28 D N 1.397 121.871 120.400 0.124 0.000 2.149 28 D HA -0.076 4.566 4.640 0.003 0.000 0.201 28 D C 2.479 178.702 176.300 -0.128 0.000 0.972 28 D CA 1.366 55.404 54.000 0.063 0.000 0.835 28 D CB -0.421 40.447 40.800 0.114 0.000 0.966 28 D HN 0.208 nan 8.370 nan 0.000 0.476 29 V N 1.548 121.229 119.914 -0.388 0.000 2.343 29 V HA -0.320 3.242 4.120 -0.929 0.000 0.247 29 V C 1.914 178.044 176.094 0.059 0.000 1.051 29 V CA 2.559 64.568 62.300 -0.484 0.000 1.036 29 V CB -0.401 31.121 31.823 -0.502 0.000 0.654 29 V HN -0.448 7.521 8.190 -0.369 0.000 0.451 30 L N -0.408 120.983 121.223 0.280 0.000 1.989 30 L HA -0.464 4.098 4.340 0.370 0.000 0.211 30 L C 1.292 178.278 176.870 0.194 0.000 1.071 30 L CA 3.841 58.878 54.840 0.329 0.000 0.749 30 L CB -0.515 41.752 42.059 0.346 0.000 0.890 30 L HN 0.054 8.418 8.230 0.224 0.000 0.431 31 D N -1.815 118.684 120.400 0.165 0.000 2.117 31 D HA -0.328 4.394 4.640 0.137 0.000 0.197 31 D C 2.345 178.722 176.300 0.127 0.000 0.987 31 D CA 3.528 57.611 54.000 0.138 0.000 0.829 31 D CB -0.789 40.089 40.800 0.131 0.000 0.961 31 D HN -0.497 7.975 8.370 0.171 0.000 0.460 32 D N 0.852 121.321 120.400 0.115 0.000 2.084 32 D HA -0.193 4.530 4.640 0.137 0.000 0.194 32 D C 2.232 178.607 176.300 0.126 0.000 0.990 32 D CA 2.689 56.768 54.000 0.132 0.000 0.826 32 D CB 0.095 41.009 40.800 0.190 0.000 0.971 32 D HN -0.600 7.823 8.370 0.088 0.000 0.453 33 L N -0.719 120.575 121.223 0.118 0.000 2.042 33 L HA -0.466 3.928 4.340 0.089 0.000 0.210 33 L C 2.497 179.510 176.870 0.240 0.000 1.076 33 L CA 3.018 57.938 54.840 0.134 0.000 0.749 33 L CB -0.248 41.895 42.059 0.139 0.000 0.893 33 L HN -0.019 8.272 8.230 0.101 0.000 0.432 34 Q N -2.637 117.308 119.800 0.242 0.000 2.123 34 Q HA -0.224 4.330 4.340 0.356 0.000 0.199 34 Q C 3.149 179.256 176.000 0.179 0.000 0.966 34 Q CA 3.050 59.000 55.803 0.244 0.000 0.845 34 Q CB -0.546 28.288 28.738 0.160 0.000 0.907 34 Q HN 0.045 8.419 8.270 0.200 0.016 0.439 35 T N 2.956 117.592 114.554 0.137 0.000 2.812 35 T HA -0.251 4.154 4.350 0.092 0.000 0.264 35 T C 1.621 176.377 174.700 0.094 0.000 1.042 35 T CA 4.986 67.147 62.100 0.102 0.000 1.140 35 T CB -0.231 68.689 68.868 0.088 0.000 0.870 35 T HN -0.193 8.129 8.240 0.137 0.000 0.445 36 N N 0.658 119.420 118.700 0.105 0.000 2.531 36 N HA 0.089 4.868 4.740 0.064 0.000 0.223 36 N C 2.114 177.669 175.510 0.076 0.000 1.023 36 N CA 1.602 54.703 53.050 0.085 0.000 1.124 36 N CB 0.670 39.213 38.487 0.093 0.000 1.427 36 N HN -0.268 8.185 8.380 0.123 0.000 0.558 37 F N 1.674 121.558 119.950 -0.110 0.000 2.120 37 F HA -0.339 4.074 4.527 -0.191 0.000 0.300 37 F C 0.969 176.591 175.800 -0.296 0.000 1.095 37 F CA 3.073 60.913 58.000 -0.266 0.000 1.249 37 F CB 0.353 39.079 39.000 -0.458 0.000 0.995 37 F HN -0.402 8.010 8.300 0.187 0.000 0.480 38 Y N -6.383 113.960 120.300 0.070 0.000 2.457 38 Y HA 0.103 4.562 4.550 -0.152 0.000 0.263 38 Y C -0.679 175.199 175.900 -0.037 0.000 1.164 38 Y CA -0.159 57.922 58.100 -0.032 0.000 1.274 38 Y CB -0.281 38.209 38.460 0.049 0.000 1.097 38 Y HN 0.017 8.335 8.280 0.096 0.020 0.523 39 Q N -1.625 118.227 119.800 0.088 0.000 2.453 39 Q HA -0.402 4.089 4.340 0.041 -0.126 0.294 39 Q C 0.278 176.314 176.000 0.060 0.000 1.295 39 Q CA 1.023 56.855 55.803 0.048 0.000 0.853 39 Q CB -2.551 26.192 28.738 0.008 0.000 1.193 39 Q HN -0.381 7.763 8.270 0.075 0.171 0.461 40 G N -3.504 105.347 108.800 0.084 0.000 2.270 40 G HA2 -0.396 3.604 3.960 0.067 0.000 0.224 40 G HA3 -0.396 3.593 3.960 0.048 0.000 0.224 40 G C -0.860 174.076 174.900 0.060 0.000 1.079 40 G CA -0.079 45.060 45.100 0.065 0.000 0.807 40 G HN -0.220 8.133 8.290 0.106 0.000 0.492 41 S N -4.428 111.327 115.700 0.092 0.000 3.698 41 S HA -0.533 4.076 4.470 0.047 -0.111 0.338 41 S C -0.375 174.211 174.600 -0.023 0.000 1.089 41 S CA 1.304 59.525 58.200 0.035 0.000 0.991 41 S CB -2.055 61.151 63.200 0.010 0.000 0.909 41 S HN -0.004 8.392 8.310 0.143 0.000 0.485 42 K N -1.733 118.670 120.400 0.006 0.000 2.090 42 K HA 0.181 4.479 4.320 -0.036 0.000 0.249 42 K C -0.153 176.399 176.600 -0.080 0.000 0.995 42 K CA -1.041 55.232 56.287 -0.025 0.000 0.914 42 K CB 1.742 34.245 32.500 0.005 0.000 1.057 42 K HN -0.476 7.815 8.250 0.067 0.000 0.462 43 c N 3.783 122.340 118.600 -0.072 0.000 2.503 43 c HA 0.217 4.714 4.570 -0.122 0.000 0.356 43 c C -1.175 172.889 174.090 -0.043 0.000 1.168 43 c CA -1.481 54.798 56.329 -0.083 0.000 1.655 43 c CB -2.853 39.609 42.510 -0.079 0.000 1.660 43 c HN 0.455 8.654 8.230 -0.051 0.000 0.484 44 E N 3.561 123.745 120.200 -0.026 0.000 2.475 44 E HA 0.178 4.511 4.350 -0.028 0.000 0.221 44 E C 0.154 176.737 176.600 -0.029 0.000 0.793 44 E CA -1.098 55.287 56.400 -0.024 0.000 0.922 44 E CB 1.960 31.648 29.700 -0.019 0.000 1.778 44 E HN -0.474 7.876 8.360 -0.016 0.000 0.392 45 S N 0.976 116.649 115.700 -0.045 0.000 2.374 45 S HA -0.130 4.302 4.470 -0.063 0.000 0.227 45 S C 0.341 174.901 174.600 -0.067 0.000 1.037 45 S CA 5.565 63.729 58.200 -0.061 0.000 1.024 45 S CB -1.958 61.206 63.200 -0.061 0.000 0.861 45 S HN 0.319 8.605 8.310 -0.042 0.000 0.456 46 P HA -0.277 3.947 4.420 -0.326 0.000 0.215 46 P C 1.258 178.614 177.300 0.092 0.000 1.157 46 P CA 3.010 65.946 63.100 -0.272 0.000 0.874 46 P CB -0.433 30.825 31.700 -0.736 0.000 0.790 47 V N -2.502 117.552 119.914 0.233 0.000 2.287 47 V HA -0.370 3.999 4.120 0.415 0.000 0.248 47 V C 2.222 178.388 176.094 0.120 0.000 1.053 47 V CA 3.882 66.319 62.300 0.228 0.000 1.027 47 V CB -0.757 31.074 31.823 0.014 0.000 0.646 47 V HN -0.583 7.709 8.190 0.170 0.000 0.447 48 R N -2.332 118.195 120.500 0.044 0.000 2.075 48 R HA -0.304 4.042 4.340 0.010 0.000 0.232 48 R C 2.818 179.129 176.300 0.019 0.000 1.126 48 R CA 3.502 59.606 56.100 0.007 0.000 0.963 48 R CB -0.456 29.818 30.300 -0.043 0.000 0.858 48 R HN -0.647 7.639 8.270 0.027 0.000 0.435 49 K N -1.178 119.240 120.400 0.030 0.000 2.057 49 K HA -0.239 4.085 4.320 0.006 0.000 0.206 49 K C 2.072 178.723 176.600 0.085 0.000 1.050 49 K CA 2.224 58.534 56.287 0.040 0.000 0.935 49 K CB -0.561 31.966 32.500 0.046 0.000 0.715 49 K HN -0.144 8.120 8.250 0.022 0.000 0.439 50 I N 0.507 121.180 120.570 0.172 0.000 2.361 50 I HA -0.356 3.905 4.170 0.151 0.000 0.251 50 I C 1.777 177.959 176.117 0.109 0.000 1.133 50 I CA 2.576 63.983 61.300 0.179 0.000 1.413 50 I CB -0.563 37.616 38.000 0.297 0.000 1.073 50 I HN -0.273 8.061 8.210 0.208 0.000 0.424 51 L N -0.909 120.370 121.223 0.094 0.000 2.056 51 L HA -0.424 3.972 4.340 0.093 0.000 0.207 51 L C 2.406 179.316 176.870 0.066 0.000 1.078 51 L CA 3.364 58.254 54.840 0.083 0.000 0.749 51 L CB -0.681 41.425 42.059 0.079 0.000 0.901 51 L HN -0.156 8.119 8.230 0.099 0.014 0.433 52 R N -1.439 119.061 120.500 0.000 0.000 2.091 52 R HA -0.354 3.907 4.340 -0.131 0.000 0.238 52 R C 2.723 178.869 176.300 -0.256 0.000 1.136 52 R CA 3.592 59.591 56.100 -0.168 0.000 0.959 52 R CB -0.195 29.980 30.300 -0.208 0.000 0.856 52 R HN -0.651 7.623 8.270 0.007 0.000 0.437 53 I N -0.672 119.853 120.570 -0.074 0.000 2.315 53 I HA -0.391 3.764 4.170 -0.024 0.000 0.248 53 I C 1.780 177.939 176.117 0.071 0.000 1.117 53 I CA 4.282 65.579 61.300 -0.004 0.000 1.404 53 I CB -0.195 37.822 38.000 0.029 0.000 1.071 53 I HN -0.268 7.848 8.210 -0.026 0.078 0.419 54 V N 0.891 120.864 119.914 0.099 0.000 2.358 54 V HA -0.406 3.790 4.120 0.126 0.000 0.246 54 V C 1.302 177.533 176.094 0.230 0.000 1.047 54 V CA 3.971 66.354 62.300 0.139 0.000 1.035 54 V CB -0.764 31.125 31.823 0.109 0.000 0.658 54 V HN -0.097 8.144 8.190 0.085 0.000 0.452 55 F N 0.824 120.819 119.950 0.074 0.000 2.102 55 F HA -0.310 4.294 4.527 0.127 0.000 0.298 55 F C 1.425 177.403 175.800 0.297 0.000 1.105 55 F CA 1.442 59.534 58.000 0.154 0.000 1.239 55 F CB -0.120 38.970 39.000 0.149 0.000 0.991 55 F HN -0.746 7.737 8.300 0.305 0.000 0.474 56 H N -3.086 115.959 119.070 -0.042 0.000 2.529 56 H HA -0.225 4.120 4.556 -0.352 0.000 0.277 56 H C 1.610 176.942 175.328 0.007 0.000 0.999 56 H CA 1.477 57.441 56.048 -0.140 0.000 1.256 56 H CB 0.154 29.892 29.762 -0.040 0.000 1.402 56 H HN -0.245 8.134 8.280 0.165 0.000 0.566 57 D N -0.047 120.467 120.400 0.190 0.000 2.091 57 D HA -0.152 4.596 4.640 0.181 0.000 0.199 57 D C 1.617 178.030 176.300 0.188 0.000 0.980 57 D CA 2.567 56.674 54.000 0.179 0.000 0.831 57 D CB 0.429 41.326 40.800 0.162 0.000 0.987 57 D HN -0.267 8.198 8.370 0.187 0.018 0.460 58 A N -0.451 122.489 122.820 0.199 0.000 1.930 58 A HA -0.218 4.196 4.320 0.204 0.028 0.217 58 A C 1.823 179.546 177.584 0.231 0.000 1.175 58 A CA 2.792 54.959 52.037 0.216 0.000 0.627 58 A CB -0.192 18.954 19.000 0.243 0.000 0.815 58 A HN -0.514 7.759 8.150 0.205 0.000 0.443 59 I N -3.114 117.566 120.570 0.183 0.000 3.291 59 I HA -0.157 4.196 4.170 0.307 0.000 0.279 59 I C -0.336 175.861 176.117 0.134 0.000 1.294 59 I CA -1.240 60.160 61.300 0.168 0.000 1.428 59 I CB 0.046 38.002 38.000 -0.074 0.000 1.070 59 I HN -0.320 7.965 8.210 0.126 0.000 0.478 60 G N 0.446 109.328 108.800 0.136 0.000 2.985 60 G HA2 -0.054 3.939 3.960 0.056 0.000 0.282 60 G HA3 -0.054 3.987 3.960 0.136 0.000 0.282 60 G C -2.469 172.531 174.900 0.167 0.000 0.791 60 G CA -0.081 45.089 45.100 0.118 0.000 1.934 60 G HN -0.678 7.651 8.290 0.145 0.048 0.563 61 F N 4.693 124.615 119.950 -0.048 0.000 2.722 61 F HA 0.289 4.822 4.527 -0.153 -0.097 0.336 61 F C -2.908 172.841 175.800 -0.085 0.000 1.216 61 F CA -0.099 57.850 58.000 -0.084 0.000 1.065 61 F CB 3.108 42.094 39.000 -0.024 0.000 1.325 61 F HN -0.363 7.974 8.300 0.135 0.044 0.524 62 S N 7.754 123.060 115.700 -0.657 0.000 2.496 62 S HA 0.579 4.942 4.470 -0.345 -0.100 0.221 62 S C -1.974 172.299 174.600 -0.545 0.000 1.260 62 S CA -3.114 54.807 58.200 -0.464 0.000 1.181 62 S CB 0.540 63.576 63.200 -0.274 0.000 1.136 62 S HN -0.113 7.706 8.310 -0.818 0.000 0.467 63 P HA -0.201 3.979 4.420 -0.399 0.000 0.217 63 P C 0.092 177.261 177.300 -0.218 0.000 1.148 63 P CA 2.425 65.311 63.100 -0.357 0.000 0.828 63 P CB 0.178 31.740 31.700 -0.230 0.000 0.783 64 A N -4.145 118.570 122.820 -0.175 0.000 1.969 64 A HA -0.160 4.102 4.320 -0.097 0.000 0.218 64 A C 2.058 179.570 177.584 -0.119 0.000 1.169 64 A CA 2.678 54.645 52.037 -0.117 0.000 0.635 64 A CB -0.621 18.327 19.000 -0.087 0.000 0.810 64 A HN -0.278 8.121 8.150 -0.182 -0.359 0.445 65 L N -2.867 118.262 121.223 -0.156 0.000 2.027 65 L HA -0.422 3.858 4.340 -0.101 0.000 0.206 65 L C 2.327 179.121 176.870 -0.126 0.000 1.074 65 L CA 2.908 57.666 54.840 -0.136 0.000 0.745 65 L CB -0.274 41.685 42.059 -0.166 0.000 0.898 65 L HN -0.671 7.444 8.230 -0.192 0.000 0.433 66 T N 1.429 115.878 114.554 -0.174 0.000 2.699 66 T HA -0.250 4.244 4.350 -0.098 -0.203 0.268 66 T C 2.587 177.237 174.700 -0.082 0.000 1.036 66 T CA 4.280 66.302 62.100 -0.130 0.000 1.147 66 T CB -0.495 68.268 68.868 -0.175 0.000 0.862 66 T HN -0.463 7.636 8.240 -0.235 0.000 0.446 67 A N 0.295 123.063 122.820 -0.085 0.000 2.119 67 A HA -0.030 4.260 4.320 -0.049 0.000 0.217 67 A C 0.132 177.689 177.584 -0.044 0.000 1.153 67 A CA 2.128 54.130 52.037 -0.058 0.000 0.692 67 A CB -0.540 18.424 19.000 -0.059 0.000 0.799 67 A HN -0.136 7.932 8.150 -0.107 0.017 0.458 68 A N -2.866 119.925 122.820 -0.048 0.000 2.577 68 A HA 0.156 4.459 4.320 -0.029 0.000 0.280 68 A C -0.281 177.288 177.584 -0.025 0.000 1.331 68 A CA -0.772 51.244 52.037 -0.035 0.000 0.935 68 A CB -0.375 18.601 19.000 -0.039 0.000 1.082 68 A HN -0.484 7.459 8.150 -0.062 0.171 0.525 69 G N -1.257 107.530 108.800 -0.022 0.000 2.153 69 G HA2 -0.426 3.531 3.960 -0.005 0.000 0.252 69 G HA3 -0.426 3.530 3.960 -0.005 0.000 0.252 69 G C -0.806 174.097 174.900 0.006 0.000 0.994 69 G CA 0.282 45.378 45.100 -0.007 0.000 0.698 69 G HN -0.290 7.897 8.290 -0.028 0.087 0.521 70 Q N -1.899 117.903 119.800 0.002 0.000 2.433 70 Q HA 0.275 4.647 4.340 0.052 0.000 0.279 70 Q C -1.344 174.695 176.000 0.065 0.000 1.105 70 Q CA -2.200 53.623 55.803 0.033 0.000 0.815 70 Q CB 3.673 32.415 28.738 0.006 0.000 1.403 70 Q HN -0.576 7.655 8.270 -0.019 0.028 0.435 71 F N 1.317 121.240 119.950 -0.044 0.000 2.578 71 F HA -0.005 4.492 4.527 -0.049 0.000 0.381 71 F C 0.381 176.144 175.800 -0.062 0.000 1.069 71 F CA 1.134 59.106 58.000 -0.046 0.000 1.231 71 F CB 0.702 39.685 39.000 -0.029 0.000 1.086 71 F HN 0.350 8.800 8.300 0.249 0.000 0.564 72 G N 4.132 112.487 108.800 -0.742 0.000 3.088 72 G HA2 -0.004 3.687 3.960 -0.449 0.000 0.217 72 G HA3 -0.004 3.761 3.960 -0.571 -0.148 0.217 72 G C -1.551 172.859 174.900 -0.816 0.000 1.159 72 G CA -0.799 43.908 45.100 -0.653 0.000 0.760 72 G HN 0.443 8.302 8.290 -0.719 0.000 0.550 73 G N -1.368 106.495 108.800 -1.562 0.000 2.650 73 G HA2 -0.274 3.249 3.960 -0.728 0.000 0.686 73 G HA3 -0.274 3.630 3.960 -0.362 -0.161 0.686 73 G C -0.115 174.613 174.900 -0.287 0.000 1.205 73 G CA -0.420 44.200 45.100 -0.799 0.000 0.781 73 G HN -0.773 5.674 8.290 -2.976 0.057 0.648 74 G N -1.018 107.863 108.800 0.135 0.000 3.189 74 G HA2 0.254 4.329 3.960 0.190 0.000 0.225 74 G HA3 0.254 4.487 3.960 0.264 -0.114 0.225 74 G C -0.167 174.847 174.900 0.190 0.000 1.159 74 G CA -1.047 44.184 45.100 0.219 0.000 0.763 74 G HN 0.223 8.643 8.290 0.216 0.000 0.549 75 G N 1.453 110.412 108.800 0.265 0.000 2.531 75 G HA2 -0.446 3.836 3.960 0.208 0.000 0.274 75 G HA3 -0.446 3.607 3.960 -0.005 -0.097 0.274 75 G C -0.418 174.637 174.900 0.258 0.000 1.159 75 G CA 0.116 45.322 45.100 0.176 0.000 0.969 75 G HN -0.383 8.025 8.290 0.290 0.056 0.554 76 A N 3.464 126.478 122.820 0.322 0.000 2.810 76 A HA -0.021 4.540 4.320 0.232 -0.102 0.247 76 A C -0.950 176.854 177.584 0.366 0.000 1.576 76 A CA -0.622 51.595 52.037 0.300 0.000 1.294 76 A CB -1.013 18.099 19.000 0.186 0.000 0.976 76 A HN -0.090 8.245 8.150 0.308 0.000 0.631 77 D N -2.401 118.243 120.400 0.406 0.000 2.369 77 D HA -0.017 4.959 4.640 0.560 0.000 0.211 77 D C 0.800 177.297 176.300 0.328 0.000 1.077 77 D CA -1.811 52.458 54.000 0.448 0.000 0.842 77 D CB 0.441 41.497 40.800 0.427 0.000 0.947 77 D HN -0.353 8.156 8.370 0.348 0.069 0.509 78 G N -0.675 108.289 108.800 0.273 0.000 2.162 78 G HA2 -0.406 3.685 3.960 0.219 0.000 0.260 78 G HA3 -0.406 3.816 3.960 0.352 -0.051 0.260 78 G C 0.974 176.022 174.900 0.247 0.000 0.976 78 G CA 1.046 46.310 45.100 0.273 0.000 0.655 78 G HN 0.007 8.778 8.290 0.250 -0.332 0.533 79 S N 0.438 116.298 115.700 0.267 0.000 2.419 79 S HA -0.234 4.446 4.470 0.351 0.000 0.233 79 S C 1.852 176.567 174.600 0.191 0.000 1.016 79 S CA 2.749 61.130 58.200 0.301 0.000 0.974 79 S CB -0.220 63.193 63.200 0.355 0.000 0.786 79 S HN -0.225 8.549 8.310 0.279 -0.297 0.492 80 I N 1.161 121.807 120.570 0.126 0.000 2.454 80 I HA -0.367 3.934 4.170 0.037 -0.109 0.254 80 I C 0.663 176.755 176.117 -0.042 0.000 1.156 80 I CA 2.853 64.181 61.300 0.047 0.000 1.433 80 I CB -0.036 38.004 38.000 0.067 0.000 1.082 80 I HN -0.924 7.527 8.210 0.149 -0.152 0.432 81 I N -1.624 118.879 120.570 -0.111 0.000 2.385 81 I HA -0.351 3.651 4.170 -0.280 0.000 0.244 81 I C 1.923 177.867 176.117 -0.289 0.000 1.089 81 I CA 3.161 64.262 61.300 -0.332 0.000 1.410 81 I CB -0.014 37.534 38.000 -0.752 0.000 1.117 81 I HN -0.636 7.426 8.210 -0.057 0.114 0.429 82 A N -0.331 122.410 122.820 -0.131 0.000 1.940 82 A HA -0.259 4.091 4.320 0.049 0.000 0.219 82 A C 0.935 178.281 177.584 -0.397 0.000 1.176 82 A CA 2.784 54.751 52.037 -0.117 0.000 0.631 82 A CB -0.056 18.899 19.000 -0.075 0.000 0.814 82 A HN -0.090 8.048 8.150 -0.019 0.000 0.446 83 H N -4.301 114.796 119.070 0.046 0.000 2.481 83 H HA 0.442 5.010 4.556 0.019 0.000 0.273 83 H C 0.182 175.480 175.328 -0.051 0.000 1.145 83 H CA -1.330 54.727 56.048 0.015 0.000 0.964 83 H CB -0.500 29.288 29.762 0.044 0.000 1.722 83 H HN -0.192 7.948 8.280 -0.015 0.131 0.573 84 S N 2.360 118.050 115.700 -0.018 0.000 2.400 84 S HA -0.287 4.225 4.470 -0.085 -0.093 0.232 84 S C 2.336 176.894 174.600 -0.069 0.000 1.025 84 S CA 2.958 61.117 58.200 -0.067 0.000 0.993 84 S CB -0.371 62.775 63.200 -0.089 0.000 0.808 84 S HN -0.021 8.185 8.310 -0.053 0.071 0.478 85 N N 1.499 120.182 118.700 -0.028 0.000 2.094 85 N HA -0.196 4.546 4.740 0.003 0.000 0.191 85 N C 1.166 176.646 175.510 -0.051 0.000 1.023 85 N CA 2.002 55.038 53.050 -0.024 0.000 0.857 85 N CB -0.050 38.444 38.487 0.011 0.000 1.013 85 N HN 0.386 nan 8.380 nan 0.000 0.426 86 I N -0.730 119.808 120.570 -0.055 0.000 2.339 86 I HA -0.234 3.897 4.170 -0.064 0.000 0.245 86 I C 1.591 177.458 176.117 -0.415 0.000 1.096 86 I CA 1.926 63.159 61.300 -0.111 0.000 1.408 86 I CB 0.784 38.772 38.000 -0.019 0.000 1.092 86 I HN -0.380 7.819 8.210 -0.008 0.007 0.423 87 E N -0.565 119.321 120.200 -0.523 0.000 2.208 87 E HA -0.224 2.654 4.350 -2.453 0.000 0.193 87 E C 2.317 178.442 176.600 -0.793 0.000 0.988 87 E CA 2.694 58.410 56.400 -1.140 0.000 0.828 87 E CB 0.224 29.605 29.700 -0.533 0.000 0.763 87 E HN -0.259 7.931 8.360 -0.284 0.000 0.478 88 L N -2.937 118.077 121.223 -0.348 0.000 2.610 88 L HA -0.062 4.196 4.340 -0.138 0.000 0.232 88 L C 0.152 176.953 176.870 -0.114 0.000 1.149 88 L CA 0.457 55.195 54.840 -0.170 0.000 0.872 88 L CB -0.685 41.322 42.059 -0.086 0.000 0.992 88 L HN -0.157 7.906 8.230 -0.278 0.000 0.447 89 A N -2.048 120.681 122.820 -0.152 0.000 2.218 89 A HA -0.022 4.302 4.320 0.006 0.000 0.209 89 A C 0.301 177.962 177.584 0.129 0.000 1.168 89 A CA 0.178 52.207 52.037 -0.013 0.000 0.804 89 A CB 0.230 19.235 19.000 0.009 0.000 0.834 89 A HN -0.799 7.129 8.150 -0.265 0.062 0.482 90 F N -1.127 118.831 119.950 0.013 0.000 2.506 90 F HA 0.131 4.654 4.527 -0.006 0.000 0.351 90 F C -0.492 175.305 175.800 -0.004 0.000 1.136 90 F CA -3.292 54.706 58.000 -0.003 0.000 1.298 90 F CB -1.701 37.289 39.000 -0.016 0.000 1.145 90 F HN -0.685 7.375 8.300 -0.137 0.158 0.593 91 P HA -0.311 4.141 4.420 0.053 0.000 0.216 91 P C 0.217 177.576 177.300 0.098 0.000 1.150 91 P CA 2.362 65.509 63.100 0.078 0.000 0.843 91 P CB -0.007 31.709 31.700 0.027 0.000 0.787 92 A N -6.028 116.859 122.820 0.112 0.000 2.251 92 A HA 0.040 4.454 4.320 0.156 0.000 0.209 92 A C -0.474 177.246 177.584 0.226 0.000 1.187 92 A CA 0.490 52.598 52.037 0.120 0.000 0.823 92 A CB -0.633 18.318 19.000 -0.082 0.000 0.846 92 A HN 0.164 8.351 8.150 0.117 0.033 0.486 93 N N -2.760 116.059 118.700 0.197 0.000 2.273 93 N HA 0.138 5.058 4.740 0.299 0.000 0.231 93 N C -0.501 175.077 175.510 0.114 0.000 1.134 93 N CA -1.319 51.852 53.050 0.200 0.000 0.856 93 N CB 0.910 39.477 38.487 0.134 0.000 1.068 93 N HN -0.549 7.862 8.380 0.173 0.073 0.510 94 G N -0.338 108.525 108.800 0.104 0.000 2.527 94 G HA2 0.009 4.002 3.960 0.054 0.000 0.248 94 G HA3 0.009 4.009 3.960 0.066 0.000 0.248 94 G C 0.002 174.941 174.900 0.065 0.000 1.231 94 G CA 0.247 45.389 45.100 0.070 0.000 0.838 94 G HN -0.910 7.385 8.290 0.122 0.068 0.570 95 G N 0.551 109.382 108.800 0.052 0.000 2.160 95 G HA2 -0.189 3.804 3.960 0.055 0.000 0.251 95 G HA3 -0.189 3.801 3.960 0.049 0.000 0.251 95 G C -0.512 174.412 174.900 0.040 0.000 1.008 95 G CA 0.755 45.885 45.100 0.050 0.000 0.724 95 G HN 0.253 8.571 8.290 0.047 0.000 0.514 96 L N -3.983 117.263 121.223 0.038 0.000 2.717 96 L HA 0.059 4.420 4.340 0.034 0.000 0.239 96 L C 1.085 177.969 176.870 0.023 0.000 1.086 96 L CA 0.335 55.195 54.840 0.033 0.000 0.897 96 L CB -0.017 42.064 42.059 0.037 0.000 1.214 96 L HN -0.336 7.877 8.230 0.039 0.041 0.508 97 T N 2.415 116.977 114.554 0.014 0.000 2.699 97 T HA -0.414 3.929 4.350 -0.012 0.000 0.268 97 T C 1.260 175.965 174.700 0.008 0.000 1.036 97 T CA 4.904 67.004 62.100 0.000 0.000 1.147 97 T CB -0.990 67.876 68.868 -0.004 0.000 0.862 97 T HN 0.463 8.713 8.240 0.017 0.000 0.446 98 D N -1.568 118.844 120.400 0.022 0.000 2.144 98 D HA -0.153 4.499 4.640 0.021 0.000 0.199 98 D C 2.540 178.870 176.300 0.050 0.000 0.984 98 D CA 3.731 57.748 54.000 0.028 0.000 0.834 98 D CB -0.738 40.079 40.800 0.027 0.000 0.955 98 D HN 0.441 8.826 8.370 0.024 0.000 0.465 99 T N 3.039 117.634 114.554 0.068 0.000 2.812 99 T HA -0.158 4.320 4.350 0.213 0.000 0.264 99 T C 2.092 176.849 174.700 0.095 0.000 1.042 99 T CA 3.881 66.068 62.100 0.144 0.000 1.140 99 T CB -0.353 68.606 68.868 0.152 0.000 0.870 99 T HN -0.652 7.620 8.240 0.053 0.000 0.445 100 I N 1.301 121.883 120.570 0.019 0.000 2.208 100 I HA -0.488 3.637 4.170 -0.076 0.000 0.245 100 I C 1.665 177.734 176.117 -0.080 0.000 1.097 100 I CA 3.098 64.365 61.300 -0.055 0.000 1.363 100 I CB -1.188 36.771 38.000 -0.068 0.000 1.051 100 I HN 0.130 8.354 8.210 0.023 0.000 0.413 101 E N -1.371 118.807 120.200 -0.037 0.000 2.106 101 E HA -0.311 4.001 4.350 -0.064 0.000 0.192 101 E C 2.393 178.985 176.600 -0.014 0.000 0.984 101 E CA 2.966 59.345 56.400 -0.035 0.000 0.806 101 E CB -0.697 28.995 29.700 -0.013 0.000 0.750 101 E HN -0.103 8.248 8.360 -0.015 0.000 0.458 102 A N -0.189 122.650 122.820 0.032 0.000 1.902 102 A HA -0.219 4.136 4.320 0.058 0.000 0.217 102 A C 2.305 179.872 177.584 -0.028 0.000 1.181 102 A CA 3.006 55.081 52.037 0.064 0.000 0.623 102 A CB -0.733 18.403 19.000 0.227 0.000 0.818 102 A HN -0.630 7.552 8.150 0.053 0.000 0.443 103 L N -2.225 118.931 121.223 -0.111 0.000 2.083 103 L HA -0.439 3.751 4.340 -0.250 0.000 0.209 103 L C 2.011 178.817 176.870 -0.107 0.000 1.083 103 L CA 2.860 57.586 54.840 -0.190 0.000 0.752 103 L CB -0.562 41.360 42.059 -0.228 0.000 0.899 103 L HN -0.330 7.855 8.230 -0.075 0.000 0.433 104 R N -0.634 119.776 120.500 -0.150 0.000 2.083 104 R HA -0.468 3.715 4.340 -0.262 0.000 0.237 104 R C 1.903 178.247 176.300 0.074 0.000 1.137 104 R CA 3.687 59.709 56.100 -0.130 0.000 0.951 104 R CB -0.165 30.031 30.300 -0.173 0.000 0.851 104 R HN 0.059 8.234 8.270 -0.158 0.000 0.434 105 A N -1.643 121.197 122.820 0.032 0.000 1.898 105 A HA -0.200 4.154 4.320 0.056 0.000 0.216 105 A C 2.370 179.995 177.584 0.069 0.000 1.181 105 A CA 3.084 55.150 52.037 0.049 0.000 0.620 105 A CB -0.658 18.360 19.000 0.029 0.000 0.819 105 A HN -0.530 7.620 8.150 0.001 0.000 0.442 106 V N -0.567 119.391 119.914 0.072 0.000 2.343 106 V HA -0.408 3.821 4.120 0.182 0.000 0.247 106 V C 2.601 178.807 176.094 0.185 0.000 1.051 106 V CA 4.173 66.557 62.300 0.139 0.000 1.036 106 V CB -0.828 31.032 31.823 0.061 0.000 0.654 106 V HN -0.459 7.753 8.190 0.037 0.000 0.451 107 G N -0.963 107.945 108.800 0.180 0.000 2.421 107 G HA2 -0.354 3.696 3.960 0.150 0.000 0.216 107 G HA3 -0.354 3.836 3.960 0.384 0.000 0.216 107 G C 1.190 176.156 174.900 0.109 0.000 1.171 107 G CA 2.209 47.439 45.100 0.215 0.000 0.775 107 G HN -0.126 8.265 8.290 0.169 0.000 0.543 108 I N 0.481 121.131 120.570 0.134 0.000 2.252 108 I HA -0.442 3.714 4.170 -0.023 0.000 0.245 108 I C 1.338 177.435 176.117 -0.034 0.000 1.102 108 I CA 3.363 64.680 61.300 0.030 0.000 1.385 108 I CB 0.041 38.079 38.000 0.063 0.000 1.064 108 I HN -0.376 7.960 8.210 0.210 0.000 0.414 109 N N -1.983 116.688 118.700 -0.048 0.000 2.142 109 N HA -0.227 4.421 4.740 -0.154 0.000 0.186 109 N C 1.594 176.923 175.510 -0.303 0.000 1.023 109 N CA 2.425 55.365 53.050 -0.183 0.000 0.852 109 N CB 0.335 38.685 38.487 -0.229 0.000 0.998 109 N HN -0.464 7.918 8.380 0.003 0.000 0.424 110 H N -3.801 115.205 119.070 -0.107 0.000 2.553 110 H HA 0.106 4.570 4.556 -0.152 0.000 0.265 110 H C 0.609 175.808 175.328 -0.214 0.000 0.964 110 H CA 0.792 56.734 56.048 -0.175 0.000 1.156 110 H CB 1.208 30.823 29.762 -0.245 0.000 1.411 110 H HN -0.428 7.860 8.280 0.014 0.000 0.558 111 G N 0.365 109.112 108.800 -0.088 0.000 2.298 111 G HA2 -0.424 3.462 3.960 -0.123 0.000 0.287 111 G HA3 -0.424 3.461 3.960 -0.125 0.000 0.287 111 G C -0.773 174.024 174.900 -0.172 0.000 1.075 111 G CA 0.393 45.416 45.100 -0.127 0.000 0.960 111 G HN -0.334 7.771 8.290 -0.066 0.145 0.502 112 V N -7.227 112.577 119.914 -0.183 0.000 2.815 112 V HA 0.493 4.506 4.120 -0.178 0.000 0.314 112 V C -1.026 175.030 176.094 -0.063 0.000 1.064 112 V CA -3.172 59.017 62.300 -0.185 0.000 0.952 112 V CB 3.161 34.717 31.823 -0.445 0.000 1.020 112 V HN -0.799 7.309 8.190 -0.138 0.000 0.439 113 S N -0.410 115.308 115.700 0.030 0.000 2.579 113 S HA 0.012 4.547 4.470 -0.157 -0.159 0.275 113 S C 1.292 175.978 174.600 0.143 0.000 1.345 113 S CA -0.021 58.178 58.200 -0.002 0.000 1.031 113 S CB 1.260 64.485 63.200 0.042 0.000 0.892 113 S HN -0.047 8.317 8.310 0.090 0.000 0.529 114 F N 2.521 122.517 119.950 0.077 0.000 2.171 114 F HA -0.155 4.413 4.527 0.070 0.000 0.300 114 F C 2.168 178.023 175.800 0.091 0.000 1.090 114 F CA 1.728 59.772 58.000 0.073 0.000 1.293 114 F CB -0.862 38.166 39.000 0.048 0.000 1.013 114 F HN 0.130 8.659 8.300 -0.099 -0.289 0.486 115 G N -1.420 107.541 108.800 0.269 0.000 2.402 115 G HA2 -0.378 3.724 3.960 0.177 0.000 0.216 115 G HA3 -0.378 3.750 3.960 0.112 -0.100 0.216 115 G C 0.964 175.931 174.900 0.113 0.000 1.162 115 G CA 1.788 46.984 45.100 0.160 0.000 0.777 115 G HN 0.225 8.666 8.290 0.252 0.000 0.539 116 D N 2.702 123.185 120.400 0.137 0.000 2.117 116 D HA -0.198 4.488 4.640 0.077 0.000 0.198 116 D C 2.098 178.578 176.300 0.301 0.000 0.982 116 D CA 2.982 57.094 54.000 0.187 0.000 0.828 116 D CB -0.212 40.777 40.800 0.315 0.000 0.967 116 D HN -0.596 7.860 8.370 0.142 0.000 0.464 117 L N 0.389 121.844 121.223 0.387 0.000 2.046 117 L HA -0.275 4.374 4.340 0.516 0.000 0.208 117 L C 1.471 178.467 176.870 0.211 0.000 1.077 117 L CA 3.290 58.355 54.840 0.375 0.000 0.747 117 L CB -0.184 42.064 42.059 0.315 0.000 0.896 117 L HN -0.207 8.248 8.230 0.374 0.000 0.432 118 I N -1.333 119.332 120.570 0.157 0.000 2.226 118 I HA -0.637 3.562 4.170 0.048 0.000 0.245 118 I C 2.034 178.204 176.117 0.088 0.000 1.100 118 I CA 4.102 65.457 61.300 0.091 0.000 1.374 118 I CB -0.453 37.600 38.000 0.089 0.000 1.057 118 I HN -0.453 7.867 8.210 0.183 0.000 0.413 119 Q N -1.388 118.483 119.800 0.118 0.000 2.079 119 Q HA -0.326 4.060 4.340 0.076 0.000 0.200 119 Q C 2.654 178.705 176.000 0.085 0.000 0.974 119 Q CA 2.681 58.554 55.803 0.117 0.000 0.840 119 Q CB -0.412 28.410 28.738 0.139 0.000 0.898 119 Q HN -0.697 7.654 8.270 0.135 0.000 0.430 120 F N 1.357 121.193 119.950 -0.189 0.000 2.102 120 F HA -0.425 3.496 4.527 -1.011 0.000 0.298 120 F C 0.977 176.593 175.800 -0.307 0.000 1.105 120 F CA 3.087 60.689 58.000 -0.664 0.000 1.239 120 F CB -0.127 38.287 39.000 -0.977 0.000 0.991 120 F HN 0.118 8.528 8.300 0.183 0.000 0.474 121 A N -1.982 120.799 122.820 -0.066 0.000 1.972 121 A HA -0.361 3.910 4.320 -0.082 0.000 0.219 121 A C 2.139 179.721 177.584 -0.003 0.000 1.169 121 A CA 3.296 55.304 52.037 -0.049 0.000 0.635 121 A CB -1.022 17.935 19.000 -0.072 0.000 0.810 121 A HN 0.409 8.602 8.150 0.071 0.000 0.446 122 T N 2.347 116.884 114.554 -0.028 0.000 2.708 122 T HA -0.375 3.996 4.350 0.035 0.000 0.266 122 T C 1.912 176.544 174.700 -0.114 0.000 1.037 122 T CA 5.395 67.482 62.100 -0.021 0.000 1.146 122 T CB -0.470 68.397 68.868 -0.001 0.000 0.865 122 T HN -0.381 7.833 8.240 -0.022 0.013 0.435 123 A N 1.183 123.883 122.820 -0.199 0.000 1.902 123 A HA -0.370 3.841 4.320 -0.182 0.000 0.217 123 A C 1.648 179.034 177.584 -0.329 0.000 1.181 123 A CA 3.383 55.271 52.037 -0.248 0.000 0.623 123 A CB -0.507 18.343 19.000 -0.249 0.000 0.818 123 A HN -0.319 7.710 8.150 -0.202 0.000 0.443 124 V N -1.650 117.984 119.914 -0.467 0.000 2.358 124 V HA -0.391 3.485 4.120 -0.407 0.000 0.246 124 V C 2.472 178.337 176.094 -0.381 0.000 1.047 124 V CA 3.809 65.856 62.300 -0.421 0.000 1.035 124 V CB -0.805 30.741 31.823 -0.461 0.000 0.658 124 V HN 0.060 7.908 8.190 -0.571 0.000 0.452 125 G N -1.894 106.689 108.800 -0.362 0.000 2.421 125 G HA2 -0.312 2.906 3.960 -1.238 0.000 0.216 125 G HA3 -0.312 3.421 3.960 -0.378 0.000 0.216 125 G C 1.926 176.604 174.900 -0.370 0.000 1.171 125 G CA 1.905 46.639 45.100 -0.611 0.000 0.775 125 G HN -0.139 8.038 8.290 -0.189 0.000 0.543 126 M N 1.861 121.316 119.600 -0.242 0.000 2.108 126 M HA -0.290 4.061 4.480 -0.216 0.000 0.261 126 M C 2.494 178.661 176.300 -0.223 0.000 1.066 126 M CA 1.612 56.778 55.300 -0.223 0.000 1.107 126 M CB -1.343 31.135 32.600 -0.202 0.000 1.356 126 M HN 0.021 8.186 8.290 -0.209 0.000 0.406 127 S N -0.909 114.656 115.700 -0.225 0.000 2.500 127 S HA -0.241 4.139 4.470 -0.150 0.000 0.239 127 S C 1.326 175.825 174.600 -0.168 0.000 0.989 127 S CA 2.696 60.788 58.200 -0.180 0.000 0.951 127 S CB -0.921 62.173 63.200 -0.176 0.000 0.759 127 S HN -0.160 7.901 8.310 -0.247 0.101 0.523 128 N N -0.833 117.734 118.700 -0.221 0.000 2.353 128 N HA 0.069 4.720 4.740 -0.148 0.000 0.185 128 N C -1.142 174.287 175.510 -0.135 0.000 1.098 128 N CA 0.238 53.173 53.050 -0.192 0.000 0.872 128 N CB 1.109 39.423 38.487 -0.288 0.000 0.970 128 N HN -0.503 7.524 8.380 -0.276 0.187 0.467 129 c N 0.134 118.660 118.600 -0.124 0.000 2.251 129 c HA 0.360 4.894 4.570 -0.059 0.000 0.323 129 c C -2.359 171.714 174.090 -0.028 0.000 1.241 129 c CA -2.694 53.593 56.329 -0.070 0.000 1.601 129 c CB -1.528 40.942 42.510 -0.068 0.000 2.251 129 c HN -0.609 7.359 8.230 -0.148 0.173 0.488 130 P HA -0.221 4.389 4.420 0.000 -0.190 0.263 130 P C 0.299 177.632 177.300 0.055 0.000 1.175 130 P CA 0.712 63.819 63.100 0.011 0.000 0.761 130 P CB 0.489 32.194 31.700 0.008 0.000 0.794 131 G N 2.490 111.323 108.800 0.055 0.000 2.225 131 G HA2 -0.462 3.545 3.960 0.078 0.000 0.254 131 G HA3 -0.462 3.574 3.960 0.125 0.000 0.254 131 G C 0.174 175.178 174.900 0.174 0.000 0.988 131 G CA 0.417 45.581 45.100 0.107 0.000 0.625 131 G HN -0.037 8.272 8.290 0.031 0.000 0.527 132 S N 2.923 118.665 115.700 0.070 0.000 2.572 132 S HA 0.398 4.869 4.470 0.003 0.000 0.279 132 S C -1.365 173.205 174.600 -0.050 0.000 1.341 132 S CA -1.929 56.210 58.200 -0.102 0.000 1.043 132 S CB 0.028 63.075 63.200 -0.254 0.000 0.887 132 S HN -0.173 nan 8.310 nan 0.000 0.516 133 P HA 0.068 4.496 4.420 0.013 0.000 0.275 133 P C -1.055 176.211 177.300 -0.056 0.000 1.266 133 P CA -0.518 62.574 63.100 -0.012 0.000 0.793 133 P CB 0.906 32.632 31.700 0.044 0.000 1.074 134 R N -1.113 119.366 120.500 -0.035 0.000 2.235 134 R HA 0.057 4.357 4.340 -0.066 0.000 0.338 134 R C -0.376 175.894 176.300 -0.049 0.000 1.087 134 R CA -0.569 55.503 56.100 -0.047 0.000 0.948 134 R CB -0.246 30.039 30.300 -0.026 0.000 1.099 134 R HN 0.235 8.496 8.270 -0.016 0.000 0.483 135 L N 4.921 126.099 121.223 -0.074 0.000 2.439 135 L HA -0.059 4.237 4.340 -0.073 0.000 0.269 135 L C 0.103 176.949 176.870 -0.040 0.000 1.179 135 L CA -0.401 54.395 54.840 -0.073 0.000 0.828 135 L CB 0.816 42.814 42.059 -0.102 0.000 1.106 135 L HN 0.248 8.422 8.230 -0.094 0.000 0.467 136 E N 1.312 121.490 120.200 -0.035 0.000 2.437 136 E HA -0.304 4.042 4.350 -0.007 0.000 0.263 136 E C -0.998 175.628 176.600 0.043 0.000 1.030 136 E CA 0.887 57.277 56.400 -0.016 0.000 0.934 136 E CB 0.793 30.465 29.700 -0.047 0.000 0.943 136 E HN 0.052 8.381 8.360 -0.051 0.000 0.444 137 F N 7.101 126.975 119.950 -0.126 0.000 2.562 137 F HA 0.314 4.740 4.527 -0.168 0.000 0.319 137 F C -2.654 173.031 175.800 -0.190 0.000 1.154 137 F CA -1.168 56.734 58.000 -0.164 0.000 0.931 137 F CB 2.884 41.793 39.000 -0.151 0.000 1.198 137 F HN 0.046 8.377 8.300 0.052 0.000 0.444 138 L N 6.875 127.471 121.223 -1.046 0.000 2.334 138 L HA 0.768 4.801 4.340 -0.797 -0.172 0.276 138 L C -1.353 174.741 176.870 -1.294 0.000 1.014 138 L CA -1.681 52.594 54.840 -0.941 0.000 0.815 138 L CB 3.148 44.924 42.059 -0.472 0.000 1.268 138 L HN -0.063 7.678 8.230 -0.814 0.000 0.428 139 T N 0.286 114.316 114.554 -0.874 0.000 2.908 139 T HA 0.266 4.367 4.350 -0.568 -0.092 0.290 139 T C -0.627 173.934 174.700 -0.232 0.000 1.034 139 T CA -0.831 60.949 62.100 -0.533 0.000 1.010 139 T CB 2.350 71.051 68.868 -0.279 0.000 1.068 139 T HN 0.344 8.185 8.240 -0.666 0.000 0.481 140 G N 6.064 114.798 108.800 -0.110 0.000 2.273 140 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.162 140 G HA3 -0.169 3.749 3.960 -0.070 0.000 0.162 140 G C -0.817 174.039 174.900 -0.074 0.000 1.006 140 G CA 0.045 45.109 45.100 -0.059 0.000 0.704 140 G HN 0.496 9.261 8.290 -0.069 -0.517 0.487 141 R N 0.924 121.313 120.500 -0.185 0.000 2.489 141 R HA -0.034 4.162 4.340 -0.240 0.000 0.287 141 R C -0.267 176.033 176.300 0.000 0.000 1.053 141 R CA 0.236 56.170 56.100 -0.275 0.000 1.036 141 R CB 0.271 30.139 30.300 -0.720 0.000 0.966 141 R HN -0.485 8.043 8.270 -0.215 -0.386 0.432 142 S N 2.225 118.029 115.700 0.173 0.000 2.558 142 S HA -0.110 4.417 4.470 0.094 0.000 0.287 142 S C 0.643 175.321 174.600 0.130 0.000 1.321 142 S CA 0.624 58.916 58.200 0.152 0.000 1.048 142 S CB 1.002 64.318 63.200 0.194 0.000 0.844 142 S HN 0.204 8.699 8.310 0.308 0.000 0.512 143 N N 3.308 122.040 118.700 0.053 0.000 2.515 143 N HA -0.119 4.632 4.740 0.019 0.000 0.185 143 N C -0.190 175.346 175.510 0.045 0.000 1.109 143 N CA 0.910 53.960 53.050 -0.000 0.000 0.903 143 N CB 0.469 38.877 38.487 -0.131 0.000 0.969 143 N HN 0.191 8.589 8.380 0.030 0.000 0.450 144 S N 0.490 116.243 115.700 0.087 0.000 2.528 144 S HA 0.063 4.584 4.470 0.084 0.000 0.277 144 S C -1.156 173.550 174.600 0.177 0.000 1.297 144 S CA 0.823 59.087 58.200 0.107 0.000 1.052 144 S CB 0.286 63.537 63.200 0.085 0.000 0.917 144 S HN -0.604 7.695 8.310 0.092 0.066 0.492 145 S N 4.336 120.169 115.700 0.221 0.000 2.579 145 S HA 0.213 4.837 4.470 0.256 0.000 0.272 145 S C -1.740 173.060 174.600 0.334 0.000 1.141 145 S CA -0.963 57.414 58.200 0.295 0.000 0.843 145 S CB 2.437 65.856 63.200 0.365 0.000 1.122 145 S HN 0.104 8.542 8.310 0.213 0.000 0.468 146 Q N 0.666 120.570 119.800 0.173 0.000 2.241 146 Q HA 0.386 4.584 4.340 -0.237 0.000 0.262 146 Q C -2.246 173.696 176.000 -0.097 0.000 1.014 146 Q CA -2.715 53.011 55.803 -0.127 0.000 0.885 146 Q CB 0.982 29.446 28.738 -0.456 0.000 1.311 146 Q HN 0.275 8.678 8.270 0.221 0.000 0.461 147 P HA -0.136 4.279 4.420 -0.008 0.000 0.268 147 P C -0.501 176.949 177.300 0.250 0.000 1.205 147 P CA -0.407 62.640 63.100 -0.088 0.000 0.771 147 P CB 0.440 32.059 31.700 -0.134 0.000 0.858 148 S N 4.411 120.293 115.700 0.303 0.000 2.558 148 S HA -0.016 4.612 4.470 0.264 0.000 0.288 148 S C -1.082 173.699 174.600 0.302 0.000 1.318 148 S CA -1.124 57.263 58.200 0.313 0.000 1.056 148 S CB -0.371 63.042 63.200 0.354 0.000 0.853 148 S HN -0.040 8.786 8.310 0.280 -0.348 0.505 149 P HA 0.124 4.604 4.420 0.100 0.000 0.269 149 P C -1.967 175.257 177.300 -0.126 0.000 1.217 149 P CA -1.167 61.959 63.100 0.044 0.000 0.783 149 P CB -0.796 30.874 31.700 -0.050 0.000 0.898 150 P HA -0.051 3.436 4.420 -1.555 0.000 0.274 150 P C -1.186 175.816 177.300 -0.496 0.000 1.256 150 P CA -0.189 62.484 63.100 -0.712 0.000 0.795 150 P CB 0.788 32.259 31.700 -0.381 0.000 1.038 151 S N -3.865 111.506 115.700 -0.548 0.000 3.586 151 S HA -0.218 4.090 4.470 -0.270 0.000 0.309 151 S C 0.398 174.866 174.600 -0.221 0.000 1.195 151 S CA 1.352 59.376 58.200 -0.294 0.000 0.895 151 S CB -1.221 61.870 63.200 -0.182 0.000 0.983 151 S HN 0.215 8.057 8.310 -0.781 0.000 0.563 152 L N -1.535 119.536 121.223 -0.252 0.000 2.616 152 L HA 0.224 4.496 4.340 -0.113 0.000 0.229 152 L C -1.127 175.657 176.870 -0.143 0.000 1.110 152 L CA -0.360 54.389 54.840 -0.152 0.000 0.884 152 L CB 0.733 42.718 42.059 -0.124 0.000 1.115 152 L HN 0.004 7.987 8.230 -0.356 0.033 0.481 153 I N -1.200 119.249 120.570 -0.202 0.000 2.315 153 I HA 0.111 4.092 4.170 -0.315 0.000 0.291 153 I C -2.204 173.840 176.117 -0.121 0.000 1.006 153 I CA -3.146 57.992 61.300 -0.271 0.000 1.265 153 I CB 0.016 37.738 38.000 -0.463 0.000 1.387 153 I HN -0.610 7.464 8.210 -0.227 0.000 0.475 154 P HA -0.047 4.546 4.420 0.078 -0.126 0.266 154 P C -0.887 176.486 177.300 0.122 0.000 1.195 154 P CA -0.304 62.858 63.100 0.102 0.000 0.768 154 P CB 0.428 32.259 31.700 0.219 0.000 0.838 155 G N 1.223 110.100 108.800 0.128 0.000 2.454 155 G HA2 0.351 4.426 3.960 0.191 0.000 0.329 155 G HA3 0.351 4.419 3.960 0.180 0.000 0.329 155 G C -0.930 174.073 174.900 0.172 0.000 1.177 155 G CA -2.365 42.839 45.100 0.173 0.000 0.951 155 G HN -0.078 8.645 8.290 0.111 -0.366 0.485 156 P HA 0.097 4.601 4.420 0.139 0.000 0.233 156 P C 0.037 177.321 177.300 -0.026 0.000 1.167 156 P CA 0.715 63.879 63.100 0.106 0.000 0.770 156 P CB 0.871 32.643 31.700 0.121 0.000 0.837 157 G N -3.453 105.313 108.800 -0.057 0.000 3.042 157 G HA2 -0.012 3.854 3.960 -0.158 0.000 0.212 157 G HA3 -0.012 3.874 3.960 -0.124 0.000 0.212 157 G C -0.568 174.341 174.900 0.014 0.000 1.166 157 G CA -1.010 44.033 45.100 -0.095 0.000 0.767 157 G HN -0.072 8.199 8.290 0.040 0.043 0.546 158 N N 1.592 120.324 118.700 0.053 0.000 2.508 158 N HA 0.036 4.808 4.740 0.054 0.000 0.264 158 N C -0.610 174.919 175.510 0.032 0.000 1.216 158 N CA 0.030 53.113 53.050 0.054 0.000 0.943 158 N CB 1.369 39.898 38.487 0.071 0.000 1.113 158 N HN -0.600 7.651 8.380 0.070 0.171 0.447 159 T N -4.085 110.485 114.554 0.025 0.000 2.802 159 T HA -0.010 4.341 4.350 0.002 0.000 0.305 159 T C 0.996 175.710 174.700 0.023 0.000 1.053 159 T CA -0.382 61.726 62.100 0.014 0.000 1.058 159 T CB 1.743 70.617 68.868 0.010 0.000 0.988 159 T HN -0.134 8.123 8.240 0.028 0.000 0.539 160 V N 1.271 121.191 119.914 0.011 0.000 2.287 160 V HA -0.375 3.763 4.120 0.031 0.000 0.248 160 V C 1.784 177.898 176.094 0.032 0.000 1.053 160 V CA 4.478 66.790 62.300 0.020 0.000 1.027 160 V CB -0.378 31.444 31.823 -0.001 0.000 0.646 160 V HN 0.629 8.818 8.190 -0.002 0.000 0.447 161 T N 0.228 114.796 114.554 0.024 0.000 2.665 161 T HA -0.369 3.999 4.350 0.030 0.000 0.268 161 T C 1.446 176.168 174.700 0.037 0.000 1.035 161 T CA 4.009 66.126 62.100 0.028 0.000 1.151 161 T CB -0.755 68.124 68.868 0.018 0.000 0.862 161 T HN 0.103 8.352 8.240 0.015 0.000 0.438 162 A N -0.487 122.354 122.820 0.036 0.000 1.902 162 A HA -0.266 4.076 4.320 0.036 0.000 0.217 162 A C 1.431 179.051 177.584 0.060 0.000 1.181 162 A CA 2.597 54.659 52.037 0.041 0.000 0.623 162 A CB 0.092 19.114 19.000 0.037 0.000 0.818 162 A HN -0.538 7.631 8.150 0.031 0.000 0.443 163 I N -1.328 119.285 120.570 0.071 0.000 2.179 163 I HA -0.524 3.711 4.170 0.109 0.000 0.242 163 I C 1.991 178.174 176.117 0.110 0.000 1.088 163 I CA 4.469 65.829 61.300 0.099 0.000 1.357 163 I CB -0.003 38.060 38.000 0.104 0.000 1.051 163 I HN -0.316 7.932 8.210 0.062 0.000 0.409 164 L N 0.109 121.388 121.223 0.092 0.000 2.141 164 L HA -0.429 3.984 4.340 0.122 0.000 0.209 164 L C 2.583 179.511 176.870 0.096 0.000 1.094 164 L CA 2.774 57.674 54.840 0.101 0.000 0.763 164 L CB -1.141 40.967 42.059 0.082 0.000 0.908 164 L HN 0.107 8.384 8.230 0.078 0.000 0.437 165 D N 0.883 121.327 120.400 0.073 0.000 2.097 165 D HA -0.186 4.456 4.640 0.003 0.000 0.197 165 D C 2.014 178.355 176.300 0.070 0.000 0.984 165 D CA 2.049 56.084 54.000 0.059 0.000 0.826 165 D CB 0.126 40.950 40.800 0.039 0.000 0.973 165 D HN 0.055 nan 8.370 nan 0.000 0.460 166 R N -0.301 120.246 120.500 0.080 0.000 2.073 166 R HA -0.263 4.112 4.340 0.058 0.000 0.234 166 R C 2.103 178.492 176.300 0.149 0.000 1.134 166 R CA 1.938 58.091 56.100 0.088 0.000 0.952 166 R CB -0.093 30.255 30.300 0.080 0.000 0.850 166 R HN -0.403 7.914 8.270 0.078 0.000 0.433 167 M N -2.174 117.546 119.600 0.200 0.000 2.159 167 M HA -0.243 4.477 4.480 0.400 0.000 0.263 167 M C 2.316 178.799 176.300 0.305 0.000 1.063 167 M CA 2.242 57.734 55.300 0.320 0.000 1.110 167 M CB -1.077 31.698 32.600 0.291 0.000 1.374 167 M HN 0.082 8.477 8.290 0.174 0.000 0.411 168 G N -0.679 108.235 108.800 0.190 0.000 2.446 168 G HA2 -0.431 3.814 3.960 0.143 0.000 0.217 168 G HA3 -0.431 3.647 3.960 0.102 -0.057 0.217 168 G C 0.839 175.788 174.900 0.082 0.000 1.168 168 G CA 2.085 47.263 45.100 0.129 0.000 0.771 168 G HN 0.116 8.391 8.290 0.166 0.115 0.551 169 D N 1.522 121.963 120.400 0.069 0.000 2.104 169 D HA -0.316 4.326 4.640 0.003 0.000 0.194 169 D C 1.691 178.013 176.300 0.037 0.000 0.994 169 D CA 2.448 56.462 54.000 0.024 0.000 0.830 169 D CB -0.186 40.615 40.800 0.001 0.000 0.959 169 D HN -0.496 7.922 8.370 0.079 0.000 0.452 170 A N -4.358 118.530 122.820 0.114 0.000 2.019 170 A HA -0.223 4.241 4.320 0.241 0.000 0.219 170 A C 0.026 177.626 177.584 0.027 0.000 1.164 170 A CA 1.397 53.550 52.037 0.194 0.000 0.644 170 A CB 0.447 19.654 19.000 0.345 0.000 0.805 170 A HN -0.450 7.788 8.150 0.147 0.000 0.449 171 G N -6.123 102.607 108.800 -0.117 0.000 2.370 171 G HA2 -0.122 3.762 3.960 -0.126 0.000 0.174 171 G HA3 -0.122 3.614 3.960 -0.373 0.000 0.174 171 G C -0.905 173.770 174.900 -0.375 0.000 1.002 171 G CA -0.465 44.469 45.100 -0.276 0.000 0.730 171 G HN -0.630 7.526 8.290 -0.005 0.131 0.497 172 F N 1.924 121.928 119.950 0.091 0.000 2.420 172 F HA 0.463 5.223 4.527 0.064 -0.195 0.342 172 F C 0.142 175.983 175.800 0.068 0.000 1.113 172 F CA -1.800 56.245 58.000 0.076 0.000 1.059 172 F CB 1.357 40.410 39.000 0.088 0.000 1.128 172 F HN -0.411 7.929 8.300 0.067 0.000 0.475 173 S N 4.162 119.996 115.700 0.224 0.000 2.600 173 S HA 0.277 4.823 4.470 0.127 0.000 0.265 173 S C -0.071 174.626 174.600 0.161 0.000 1.325 173 S CA -1.174 57.118 58.200 0.153 0.000 1.002 173 S CB -0.631 62.635 63.200 0.111 0.000 0.921 173 S HN 0.131 8.865 8.310 0.218 -0.293 0.554 174 P HA -0.297 4.200 4.420 0.128 0.000 0.216 174 P C 1.178 178.552 177.300 0.123 0.000 1.153 174 P CA 2.996 66.168 63.100 0.120 0.000 0.858 174 P CB -0.179 31.579 31.700 0.096 0.000 0.789 175 D N -4.256 116.207 120.400 0.106 0.000 2.133 175 D HA -0.300 4.398 4.640 0.096 0.000 0.195 175 D C 2.407 178.764 176.300 0.094 0.000 0.997 175 D CA 3.266 57.322 54.000 0.093 0.000 0.840 175 D CB -0.732 40.109 40.800 0.069 0.000 0.947 175 D HN 0.309 8.737 8.370 0.097 0.000 0.452 176 E N -0.208 120.062 120.200 0.116 0.000 2.208 176 E HA -0.213 4.338 4.350 0.087 -0.148 0.193 176 E C 2.510 179.125 176.600 0.026 0.000 0.988 176 E CA 2.524 58.991 56.400 0.111 0.000 0.828 176 E CB 0.020 29.868 29.700 0.247 0.000 0.763 176 E HN -0.726 7.616 8.360 0.134 0.098 0.478 177 V N 0.769 120.718 119.914 0.057 0.000 2.295 177 V HA -0.408 3.640 4.120 -0.119 0.000 0.246 177 V C 1.782 177.905 176.094 0.048 0.000 1.049 177 V CA 4.453 66.756 62.300 0.005 0.000 1.024 177 V CB -0.738 31.137 31.823 0.086 0.000 0.648 177 V HN -0.417 7.735 8.190 0.113 0.105 0.447 178 V N -0.518 119.480 119.914 0.141 0.000 2.343 178 V HA -0.515 3.783 4.120 0.298 0.000 0.247 178 V C 1.599 177.758 176.094 0.108 0.000 1.051 178 V CA 3.953 66.372 62.300 0.200 0.000 1.036 178 V CB -1.079 30.888 31.823 0.239 0.000 0.654 178 V HN -0.394 7.884 8.190 0.146 0.000 0.451 179 D N -1.493 118.947 120.400 0.066 0.000 2.117 179 D HA -0.209 4.478 4.640 0.079 0.000 0.197 179 D C 3.021 179.409 176.300 0.146 0.000 0.987 179 D CA 2.730 56.782 54.000 0.086 0.000 0.829 179 D CB -0.309 40.532 40.800 0.067 0.000 0.961 179 D HN -0.317 8.015 8.370 0.062 0.074 0.460 180 L N -0.371 120.860 121.223 0.013 0.000 2.141 180 L HA -0.295 4.078 4.340 0.055 0.000 0.209 180 L C 1.871 178.713 176.870 -0.047 0.000 1.094 180 L CA 2.684 57.492 54.840 -0.053 0.000 0.763 180 L CB -0.136 41.711 42.059 -0.353 0.000 0.908 180 L HN -0.222 7.982 8.230 -0.044 0.000 0.437 181 L N -3.296 117.851 121.223 -0.127 0.000 2.633 181 L HA -0.267 3.773 4.340 -0.501 0.000 0.235 181 L C 1.394 178.047 176.870 -0.362 0.000 1.163 181 L CA 1.108 55.758 54.840 -0.318 0.000 0.859 181 L CB -0.967 40.980 42.059 -0.187 0.000 0.973 181 L HN -0.442 7.721 8.230 -0.070 0.026 0.451 182 A N 0.269 123.037 122.820 -0.086 0.000 2.076 182 A HA -0.335 3.785 4.320 -0.334 0.000 0.220 182 A C 1.227 178.621 177.584 -0.318 0.000 1.160 182 A CA 2.485 54.394 52.037 -0.212 0.000 0.653 182 A CB -0.984 17.968 19.000 -0.078 0.000 0.801 182 A HN -0.419 7.624 8.150 0.093 0.163 0.455 183 A N -1.367 121.345 122.820 -0.180 0.000 2.024 183 A HA -0.362 3.936 4.320 -0.036 0.000 0.220 183 A C 1.608 179.109 177.584 -0.139 0.000 1.164 183 A CA 2.347 54.339 52.037 -0.076 0.000 0.643 183 A CB -0.764 18.277 19.000 0.069 0.000 0.806 183 A HN -0.460 7.621 8.150 -0.067 0.029 0.451 184 H N -3.020 115.674 119.070 -0.627 0.000 2.563 184 H HA -0.163 4.081 4.556 -0.520 0.000 0.272 184 H C 1.027 175.878 175.328 -0.796 0.000 1.005 184 H CA 1.174 56.697 56.048 -0.876 0.000 1.171 184 H CB -0.206 28.676 29.762 -1.467 0.000 1.351 184 H HN -0.233 7.582 8.280 -0.532 0.146 0.602 185 S N -1.565 113.843 115.700 -0.486 0.000 2.515 185 S HA -0.135 4.407 4.470 -0.158 -0.167 0.231 185 S C -0.148 174.383 174.600 -0.115 0.000 0.987 185 S CA 1.897 59.946 58.200 -0.251 0.000 0.936 185 S CB 0.282 63.257 63.200 -0.374 0.000 0.766 185 S HN -0.439 7.383 8.310 -0.528 0.171 0.528 186 L N 0.364 121.533 121.223 -0.090 0.000 2.732 186 L HA 0.368 4.862 4.340 -0.030 -0.172 0.246 186 L C -2.279 174.544 176.870 -0.078 0.000 1.407 186 L CA -0.917 53.899 54.840 -0.039 0.000 0.861 186 L CB 0.065 42.132 42.059 0.013 0.000 1.161 186 L HN -0.508 7.469 8.230 -0.127 0.177 0.510 187 A N -2.025 120.729 122.820 -0.109 0.000 2.594 187 A HA 0.296 4.526 4.320 -0.150 0.000 0.295 187 A C -2.228 175.264 177.584 -0.154 0.000 1.071 187 A CA -0.584 51.353 52.037 -0.166 0.000 0.685 187 A CB 2.783 21.605 19.000 -0.297 0.000 1.285 187 A HN -0.553 7.543 8.150 -0.089 0.000 0.405 188 S N -1.073 114.512 115.700 -0.192 0.000 2.685 188 S HA 0.651 5.150 4.470 -0.165 -0.129 0.282 188 S C -1.223 173.203 174.600 -0.291 0.000 1.159 188 S CA -1.204 56.871 58.200 -0.208 0.000 0.833 188 S CB 3.672 66.747 63.200 -0.209 0.000 1.151 188 S HN 0.142 8.329 8.310 -0.205 0.000 0.485 189 Q N -0.871 118.704 119.800 -0.376 0.000 2.345 189 Q HA 0.389 4.518 4.340 -0.353 0.000 0.268 189 Q C 0.021 175.767 176.000 -0.424 0.000 1.054 189 Q CA -1.148 54.389 55.803 -0.443 0.000 0.835 189 Q CB 2.253 30.543 28.738 -0.748 0.000 1.339 189 Q HN -0.005 8.050 8.270 -0.359 0.000 0.447 190 E N 1.088 121.084 120.200 -0.339 0.000 2.421 190 E HA 0.066 4.196 4.350 -0.368 0.000 0.209 190 E C 0.806 177.379 176.600 -0.044 0.000 0.871 190 E CA 0.413 56.646 56.400 -0.279 0.000 1.064 190 E CB 1.470 30.985 29.700 -0.309 0.000 1.075 190 E HN 0.465 8.662 8.360 -0.272 0.000 0.513 191 G N -1.752 107.015 108.800 -0.056 0.000 3.044 191 G HA2 0.171 4.166 3.960 0.058 0.000 0.223 191 G HA3 0.171 4.151 3.960 0.033 0.000 0.223 191 G C 0.573 175.499 174.900 0.045 0.000 1.123 191 G CA 0.224 45.338 45.100 0.024 0.000 0.765 191 G HN -0.221 8.002 8.290 -0.111 0.000 0.546 192 L N -0.630 120.588 121.223 -0.009 0.000 2.127 192 L HA 0.066 4.533 4.340 0.212 0.000 0.203 192 L C -0.947 176.011 176.870 0.147 0.000 1.080 192 L CA 1.294 56.194 54.840 0.100 0.000 0.768 192 L CB 1.060 43.131 42.059 0.020 0.000 0.924 192 L HN -0.529 7.845 8.230 -0.117 -0.214 0.444 193 N N -4.299 114.445 118.700 0.072 0.000 2.581 193 N HA 0.137 4.971 4.740 0.157 0.000 0.279 193 N C -0.322 175.252 175.510 0.107 0.000 1.124 193 N CA -0.682 52.454 53.050 0.144 0.000 0.833 193 N CB 1.434 40.082 38.487 0.268 0.000 1.338 193 N HN -0.358 8.319 8.380 -0.045 -0.324 0.533 194 S N 3.404 119.172 115.700 0.113 0.000 2.515 194 S HA -0.041 4.525 4.470 0.160 0.000 0.231 194 S C 0.972 175.644 174.600 0.119 0.000 0.987 194 S CA 1.655 59.929 58.200 0.123 0.000 0.936 194 S CB -0.244 63.010 63.200 0.090 0.000 0.766 194 S HN 0.478 8.854 8.310 0.110 0.000 0.528 195 A N 1.164 124.050 122.820 0.110 0.000 2.123 195 A HA 0.077 4.445 4.320 0.080 0.000 0.214 195 A C 0.273 177.926 177.584 0.114 0.000 1.152 195 A CA 0.926 53.021 52.037 0.097 0.000 0.728 195 A CB 0.220 19.271 19.000 0.085 0.000 0.814 195 A HN -0.030 8.124 8.150 0.114 0.065 0.464 196 I N -6.814 113.838 120.570 0.137 0.000 2.925 196 I HA 0.299 4.550 4.170 0.135 0.000 0.296 196 I C -1.674 174.525 176.117 0.136 0.000 1.413 196 I CA -2.342 59.040 61.300 0.137 0.000 0.932 196 I CB -0.074 38.010 38.000 0.140 0.000 1.873 196 I HN -0.804 7.452 8.210 0.138 0.037 0.619 197 F N 5.414 125.366 119.950 0.004 0.000 2.578 197 F HA -0.289 4.215 4.527 -0.038 0.000 0.376 197 F C 0.285 176.071 175.800 -0.023 0.000 1.085 197 F CA 2.074 60.062 58.000 -0.020 0.000 1.260 197 F CB 0.369 39.361 39.000 -0.012 0.000 1.095 197 F HN -0.272 8.209 8.300 0.301 0.000 0.573 198 R N 1.008 121.187 120.500 -0.535 0.000 3.770 198 R HA -0.493 3.623 4.340 -0.472 -0.059 0.305 198 R C -0.721 175.483 176.300 -0.161 0.000 1.184 198 R CA 0.811 56.661 56.100 -0.416 0.000 0.823 198 R CB -2.762 27.308 30.300 -0.382 0.000 1.285 198 R HN 0.088 7.942 8.270 -0.693 0.000 0.499 199 S N -1.147 114.493 115.700 -0.099 0.000 2.546 199 S HA 0.292 4.784 4.470 0.036 0.000 0.290 199 S C -1.160 173.437 174.600 -0.005 0.000 1.262 199 S CA -1.085 57.118 58.200 0.004 0.000 1.083 199 S CB -0.013 63.242 63.200 0.092 0.000 0.859 199 S HN -0.578 7.609 8.310 -0.120 0.051 0.495 200 P HA 0.121 4.695 4.420 -0.025 -0.169 0.272 200 P C 0.404 177.756 177.300 0.087 0.000 1.230 200 P CA -0.429 62.689 63.100 0.029 0.000 0.788 200 P CB 0.826 32.559 31.700 0.055 0.000 0.949 201 L N -3.062 118.198 121.223 0.063 0.000 2.446 201 L HA 0.297 4.943 4.340 0.192 -0.191 0.219 201 L C 0.039 177.037 176.870 0.213 0.000 1.116 201 L CA 0.326 55.255 54.840 0.148 0.000 0.844 201 L CB 0.501 42.612 42.059 0.087 0.000 0.970 201 L HN 0.183 8.313 8.230 0.002 0.102 0.457 202 D N -4.831 115.666 120.400 0.161 0.000 2.579 202 D HA 0.168 5.204 4.640 0.200 -0.276 0.257 202 D C -0.060 176.339 176.300 0.165 0.000 1.176 202 D CA -2.231 51.880 54.000 0.184 0.000 0.914 202 D CB 2.461 43.375 40.800 0.190 0.000 1.431 202 D HN -0.777 7.658 8.370 0.108 0.000 0.454 203 S N -2.889 112.928 115.700 0.196 0.000 2.555 203 S HA -0.158 4.417 4.470 0.174 0.000 0.230 203 S C 0.586 175.227 174.600 0.069 0.000 0.978 203 S CA 1.654 59.944 58.200 0.151 0.000 0.934 203 S CB 0.233 63.503 63.200 0.117 0.000 0.766 203 S HN -0.009 8.791 8.310 0.216 -0.361 0.533 204 T N -1.929 112.659 114.554 0.056 0.000 3.504 204 T HA 0.567 4.929 4.350 0.019 0.000 0.286 204 T C -1.019 173.688 174.700 0.012 0.000 1.530 204 T CA -2.753 59.361 62.100 0.024 0.000 1.652 204 T CB 0.115 68.991 68.868 0.013 0.000 0.895 204 T HN -0.437 8.021 8.240 0.070 -0.176 0.674 205 P HA 0.138 4.700 4.420 -0.015 -0.150 0.242 205 P C 0.025 177.318 177.300 -0.012 0.000 1.197 205 P CA 1.181 64.276 63.100 -0.009 0.000 0.765 205 P CB 0.201 31.891 31.700 -0.016 0.000 0.936 206 Q N -4.301 115.496 119.800 -0.005 0.000 2.172 206 Q HA 0.116 4.449 4.340 -0.011 0.000 0.217 206 Q C -1.500 174.504 176.000 0.005 0.000 0.832 206 Q CA -0.799 55.000 55.803 -0.006 0.000 1.010 206 Q CB 0.672 29.404 28.738 -0.010 0.000 1.133 206 Q HN -0.159 8.046 8.270 -0.001 0.064 0.489 207 V N -1.122 118.801 119.914 0.014 0.000 2.577 207 V HA 0.270 4.528 4.120 0.041 -0.113 0.303 207 V C -1.382 174.736 176.094 0.041 0.000 1.042 207 V CA -1.042 61.275 62.300 0.028 0.000 0.872 207 V CB 2.004 33.833 31.823 0.010 0.000 0.998 207 V HN -0.487 7.545 8.190 0.008 0.163 0.423 208 F N 9.679 129.584 119.950 -0.076 0.000 2.509 208 F HA 0.019 4.467 4.527 -0.132 0.000 0.350 208 F C -2.052 173.702 175.800 -0.076 0.000 1.220 208 F CA -0.444 57.490 58.000 -0.110 0.000 1.151 208 F CB -0.103 38.813 39.000 -0.140 0.000 1.379 208 F HN 0.414 8.822 8.300 0.180 0.000 0.610 209 D N 3.919 124.067 120.400 -0.421 0.000 2.664 209 D HA 0.419 5.039 4.640 -0.262 -0.137 0.292 209 D C 0.343 176.487 176.300 -0.260 0.000 1.214 209 D CA -1.803 52.036 54.000 -0.269 0.000 0.932 209 D CB 2.375 43.114 40.800 -0.101 0.000 1.420 209 D HN -0.285 7.816 8.370 -0.448 0.000 0.471 210 T N -7.116 107.371 114.554 -0.111 0.000 3.148 210 T HA 0.094 4.498 4.350 0.090 0.000 0.253 210 T C 1.519 176.260 174.700 0.068 0.000 1.134 210 T CA 0.575 62.684 62.100 0.016 0.000 1.051 210 T CB -0.582 68.284 68.868 -0.004 0.000 0.959 210 T HN -0.006 8.351 8.240 -0.093 -0.174 0.525 211 Q N 2.199 122.017 119.800 0.029 0.000 2.135 211 Q HA -0.303 4.085 4.340 0.080 0.000 0.204 211 Q C 1.434 177.483 176.000 0.083 0.000 0.981 211 Q CA 2.749 58.594 55.803 0.069 0.000 0.856 211 Q CB -1.173 27.605 28.738 0.068 0.000 0.902 211 Q HN -0.549 7.840 8.270 -0.012 -0.126 0.425 212 F N 1.083 120.957 119.950 -0.127 0.000 2.120 212 F HA -0.324 4.149 4.527 -0.091 0.000 0.300 212 F C 1.483 177.180 175.800 -0.171 0.000 1.095 212 F CA 3.408 61.288 58.000 -0.200 0.000 1.249 212 F CB -0.425 38.326 39.000 -0.416 0.000 0.995 212 F HN -0.533 7.906 8.300 0.102 -0.078 0.480 213 Y N -2.672 117.459 120.300 -0.283 0.000 2.263 213 Y HA -0.312 3.848 4.550 -0.650 0.000 0.292 213 Y C 2.772 178.665 175.900 -0.012 0.000 1.130 213 Y CA 3.224 61.086 58.100 -0.396 0.000 1.179 213 Y CB -0.250 37.931 38.460 -0.465 0.000 0.998 213 Y HN -0.798 7.411 8.280 -0.118 0.000 0.532 214 I N -0.661 120.010 120.570 0.168 0.000 2.202 214 I HA -0.566 3.791 4.170 0.313 0.000 0.242 214 I C 2.390 178.576 176.117 0.115 0.000 1.091 214 I CA 3.891 65.315 61.300 0.207 0.000 1.368 214 I CB -0.129 37.985 38.000 0.191 0.000 1.058 214 I HN -0.633 7.662 8.210 0.142 0.000 0.410 215 E N -1.500 118.731 120.200 0.051 0.000 2.216 215 E HA -0.192 4.175 4.350 0.028 0.000 0.192 215 E C 2.746 179.293 176.600 -0.088 0.000 0.988 215 E CA 2.862 59.264 56.400 0.004 0.000 0.834 215 E CB -0.036 29.695 29.700 0.052 0.000 0.772 215 E HN 0.095 8.479 8.360 0.040 0.000 0.479 216 T N -1.803 112.686 114.554 -0.108 0.000 2.962 216 T HA -0.151 4.112 4.350 -0.146 0.000 0.270 216 T C 0.959 175.597 174.700 -0.104 0.000 1.088 216 T CA 3.057 65.081 62.100 -0.128 0.000 1.127 216 T CB -0.418 68.350 68.868 -0.167 0.000 0.883 216 T HN -0.406 7.754 8.240 -0.134 0.000 0.493 217 L N -0.449 120.756 121.223 -0.030 0.000 2.509 217 L HA 0.104 4.374 4.340 -0.117 0.000 0.222 217 L C -0.226 176.574 176.870 -0.117 0.000 1.123 217 L CA -0.458 54.341 54.840 -0.067 0.000 0.856 217 L CB 0.219 42.291 42.059 0.022 0.000 0.985 217 L HN -0.810 7.291 8.230 0.029 0.145 0.456 218 L N -1.581 119.576 121.223 -0.109 0.000 2.461 218 L HA -0.141 4.309 4.340 -0.122 -0.183 0.272 218 L C 0.225 177.018 176.870 -0.129 0.000 1.197 218 L CA 0.179 54.949 54.840 -0.116 0.000 0.836 218 L CB 0.372 42.375 42.059 -0.094 0.000 1.105 218 L HN -0.967 7.058 8.230 -0.091 0.150 0.477 219 K N 1.473 121.805 120.400 -0.113 0.000 2.511 219 K HA -0.282 4.126 4.320 -0.110 -0.154 0.280 219 K C 0.386 176.917 176.600 -0.115 0.000 1.008 219 K CA 0.818 57.041 56.287 -0.105 0.000 1.050 219 K CB 0.569 33.019 32.500 -0.082 0.000 0.889 219 K HN 0.113 8.300 8.250 -0.104 0.000 0.484 220 G N 1.184 109.912 108.800 -0.120 0.000 2.360 220 G HA2 0.050 4.033 3.960 -0.154 0.000 0.279 220 G HA3 0.050 3.929 3.960 -0.134 0.000 0.279 220 G C -0.289 174.550 174.900 -0.101 0.000 1.189 220 G CA 0.178 45.200 45.100 -0.130 0.000 0.941 220 G HN 0.320 8.541 8.290 -0.116 0.000 0.445 221 T N -0.449 114.048 114.554 -0.095 0.000 2.954 221 T HA 0.199 4.515 4.350 -0.058 0.000 0.252 221 T C 0.527 175.195 174.700 -0.052 0.000 0.983 221 T CA -0.063 61.999 62.100 -0.062 0.000 0.941 221 T CB 1.340 70.185 68.868 -0.039 0.000 1.141 221 T HN 0.044 8.215 8.240 -0.114 0.000 0.500 222 T N 6.425 120.939 114.554 -0.067 0.000 2.807 222 T HA 0.283 4.619 4.350 -0.025 0.000 0.279 222 T C -2.219 172.444 174.700 -0.061 0.000 0.993 222 T CA -0.306 61.768 62.100 -0.044 0.000 0.970 222 T CB 2.168 71.022 68.868 -0.024 0.000 0.950 222 T HN -0.126 8.057 8.240 -0.094 0.000 0.441 223 Q N 5.799 125.577 119.800 -0.036 0.000 2.398 223 Q HA 0.400 4.701 4.340 -0.065 0.000 0.251 223 Q C -0.956 175.042 176.000 -0.004 0.000 0.999 223 Q CA -3.321 52.460 55.803 -0.036 0.000 0.874 223 Q CB 1.155 29.878 28.738 -0.024 0.000 1.215 223 Q HN 0.400 8.656 8.270 -0.022 0.000 0.470 224 P HA 0.030 4.480 4.420 0.051 0.000 0.221 224 P C -0.472 176.868 177.300 0.067 0.000 1.150 224 P CA 0.366 63.495 63.100 0.049 0.000 0.800 224 P CB 0.617 32.361 31.700 0.073 0.000 0.787 225 G N -1.602 107.239 108.800 0.068 0.000 2.667 225 G HA2 0.361 4.368 3.960 0.078 0.000 0.310 225 G HA3 0.361 4.380 3.960 0.097 0.000 0.310 225 G C -1.802 173.131 174.900 0.055 0.000 1.259 225 G CA -1.964 43.182 45.100 0.077 0.000 1.019 225 G HN -0.517 7.806 8.290 0.056 0.000 0.496 226 P HA 0.016 4.457 4.420 0.035 0.000 0.229 226 P C -1.049 176.274 177.300 0.038 0.000 1.160 226 P CA 0.781 63.906 63.100 0.041 0.000 0.777 226 P CB 0.414 32.138 31.700 0.041 0.000 0.814 227 S N -3.524 112.205 115.700 0.047 0.000 2.705 227 S HA 0.127 4.616 4.470 0.032 0.000 0.280 227 S C -2.491 172.142 174.600 0.056 0.000 1.174 227 S CA -1.294 56.932 58.200 0.045 0.000 0.823 227 S CB 2.618 65.847 63.200 0.048 0.000 1.162 227 S HN -0.626 7.681 8.310 0.058 0.038 0.487 228 L N 0.169 121.421 121.223 0.050 0.000 2.334 228 L HA 0.167 4.696 4.340 0.055 -0.156 0.277 228 L C 0.950 177.887 176.870 0.111 0.000 1.075 228 L CA -0.556 54.318 54.840 0.057 0.000 0.804 228 L CB 1.116 43.184 42.059 0.014 0.000 1.174 228 L HN 0.164 8.419 8.230 0.042 0.000 0.438 229 G N 0.518 109.422 108.800 0.173 0.000 2.531 229 G HA2 0.351 4.433 3.960 0.203 0.000 0.281 229 G HA3 0.351 4.657 3.960 0.290 -0.172 0.281 229 G C -1.608 173.442 174.900 0.249 0.000 1.382 229 G CA -1.172 44.069 45.100 0.236 0.000 1.045 229 G HN 0.361 9.122 8.290 0.184 -0.360 0.533 230 F N 1.708 121.743 119.950 0.143 0.000 2.543 230 F HA -0.247 4.335 4.527 0.093 0.000 0.375 230 F C -0.137 175.760 175.800 0.161 0.000 1.075 230 F CA 0.842 58.915 58.000 0.121 0.000 1.225 230 F CB 0.969 40.028 39.000 0.098 0.000 1.099 230 F HN -0.594 7.952 8.300 0.411 0.000 0.561 231 A N 3.200 125.640 122.820 -0.634 0.000 2.826 231 A HA -0.400 3.637 4.320 -0.471 0.000 0.274 231 A C -1.748 175.733 177.584 -0.172 0.000 1.443 231 A CA 0.984 52.711 52.037 -0.516 0.000 0.833 231 A CB -1.840 16.761 19.000 -0.664 0.000 1.023 231 A HN 0.338 8.134 8.150 -0.590 0.000 0.600 232 E N -1.522 118.608 120.200 -0.116 0.000 2.266 232 E HA 0.226 4.456 4.350 -0.424 -0.134 0.277 232 E C -0.606 175.830 176.600 -0.272 0.000 1.018 232 E CA -0.247 55.993 56.400 -0.267 0.000 0.840 232 E CB 1.681 31.252 29.700 -0.214 0.000 1.082 232 E HN -0.807 7.460 8.360 -0.088 0.040 0.395 233 E N 3.118 123.106 120.200 -0.354 0.000 2.320 233 E HA 0.274 4.506 4.350 -0.197 0.000 0.264 233 E C -0.549 175.887 176.600 -0.274 0.000 0.923 233 E CA -2.076 54.173 56.400 -0.252 0.000 0.796 233 E CB 2.846 32.423 29.700 -0.205 0.000 1.262 233 E HN 0.505 8.567 8.360 -0.496 0.000 0.428 234 L N -0.311 120.795 121.223 -0.195 0.000 2.514 234 L HA -0.177 4.173 4.340 -0.174 -0.114 0.280 234 L C 0.975 177.722 176.870 -0.205 0.000 1.223 234 L CA 0.925 55.659 54.840 -0.175 0.000 0.864 234 L CB -0.022 41.961 42.059 -0.127 0.000 1.118 234 L HN 0.247 8.379 8.230 -0.164 0.000 0.494 235 S N 3.314 118.888 115.700 -0.210 0.000 2.766 235 S HA 0.492 4.806 4.470 -0.260 0.000 0.307 235 S C -1.394 173.038 174.600 -0.279 0.000 1.121 235 S CA -1.845 56.201 58.200 -0.256 0.000 0.980 235 S CB 1.085 64.133 63.200 -0.253 0.000 1.159 235 S HN 0.463 8.663 8.310 -0.183 0.000 0.546 236 P HA 0.383 4.664 4.420 -0.232 0.000 0.257 236 P C -1.418 175.683 177.300 -0.332 0.000 1.241 236 P CA 0.195 63.043 63.100 -0.419 0.000 0.816 236 P CB 0.607 31.986 31.700 -0.534 0.000 1.150 237 F N -6.254 113.689 119.950 -0.011 0.000 2.770 237 F HA 0.368 4.891 4.527 -0.007 0.000 0.313 237 F C -3.612 172.191 175.800 0.006 0.000 1.154 237 F CA -3.626 54.371 58.000 -0.003 0.000 0.923 237 F CB -0.350 38.651 39.000 0.000 0.000 1.301 237 F HN -0.702 7.252 8.300 -0.575 0.000 0.449 238 P HA -0.037 4.454 4.420 0.119 0.000 0.265 238 P C 0.280 177.704 177.300 0.207 0.000 1.187 238 P CA 1.114 64.314 63.100 0.167 0.000 0.766 238 P CB -0.142 31.628 31.700 0.117 0.000 0.820 239 G N 1.925 110.815 108.800 0.150 0.000 2.299 239 G HA2 -0.471 3.564 3.960 0.125 0.000 0.237 239 G HA3 -0.471 3.801 3.960 0.153 -0.220 0.237 239 G C -1.483 173.517 174.900 0.167 0.000 1.027 239 G CA 0.391 45.581 45.100 0.150 0.000 0.619 239 G HN 0.420 8.783 8.290 0.122 0.000 0.513 240 E N 1.674 121.982 120.200 0.179 0.000 2.283 240 E HA 0.210 4.817 4.350 0.161 -0.160 0.278 240 E C -1.103 175.552 176.600 0.090 0.000 1.027 240 E CA -0.714 55.759 56.400 0.122 0.000 0.843 240 E CB 1.506 31.195 29.700 -0.019 0.000 1.062 240 E HN -0.915 7.480 8.360 0.207 0.089 0.401 241 F N 7.920 127.860 119.950 -0.016 0.000 2.422 241 F HA 0.180 4.692 4.527 -0.025 0.000 0.333 241 F C -2.012 173.774 175.800 -0.023 0.000 1.095 241 F CA -0.374 57.613 58.000 -0.021 0.000 1.038 241 F CB 3.346 42.338 39.000 -0.014 0.000 1.156 241 F HN 0.304 8.756 8.300 0.254 0.000 0.483 242 R N 6.938 127.156 120.500 -0.470 0.000 2.476 242 R HA 0.390 4.735 4.340 0.008 0.000 0.305 242 R C -2.164 173.922 176.300 -0.357 0.000 0.965 242 R CA -1.429 54.524 56.100 -0.245 0.000 0.867 242 R CB 3.438 33.600 30.300 -0.230 0.000 1.176 242 R HN 0.518 8.239 8.270 -0.915 0.000 0.447 243 M N 4.985 124.622 119.600 0.061 0.000 2.342 243 M HA 0.758 5.424 4.480 0.038 -0.163 0.332 243 M C -0.011 176.300 176.300 0.019 0.000 1.166 243 M CA 0.141 55.520 55.300 0.131 0.000 1.086 243 M CB 2.751 35.556 32.600 0.342 0.000 1.541 243 M HN 0.501 8.914 8.290 0.204 0.000 0.462 244 R N 1.657 122.135 120.500 -0.038 0.000 2.081 244 R HA -0.394 3.889 4.340 -0.096 0.000 0.235 244 R C 1.820 178.101 176.300 -0.032 0.000 1.131 244 R CA 4.176 60.233 56.100 -0.071 0.000 0.960 244 R CB 0.026 30.259 30.300 -0.112 0.000 0.856 244 R HN 0.527 8.770 8.270 -0.045 0.000 0.436 245 S N -1.033 114.683 115.700 0.027 0.000 2.370 245 S HA -0.249 4.231 4.470 0.017 0.000 0.226 245 S C 1.982 176.614 174.600 0.052 0.000 1.033 245 S CA 3.231 61.463 58.200 0.053 0.000 1.011 245 S CB -1.352 61.917 63.200 0.115 0.000 0.852 245 S HN -0.290 8.046 8.310 0.043 0.000 0.457 246 D N 3.513 123.995 120.400 0.136 0.000 2.097 246 D HA -0.215 4.565 4.640 0.233 0.000 0.197 246 D C 1.781 178.000 176.300 -0.135 0.000 0.984 246 D CA 2.887 56.992 54.000 0.174 0.000 0.826 246 D CB -0.622 40.460 40.800 0.470 0.000 0.973 246 D HN -0.696 7.780 8.370 0.177 0.000 0.460 247 A N 0.235 122.987 122.820 -0.113 0.000 1.908 247 A HA -0.264 3.914 4.320 -0.236 0.000 0.218 247 A C 2.109 179.536 177.584 -0.262 0.000 1.181 247 A CA 2.912 54.828 52.037 -0.201 0.000 0.627 247 A CB -0.299 18.611 19.000 -0.151 0.000 0.818 247 A HN -0.471 7.652 8.150 -0.045 0.000 0.445 248 L N -2.853 118.251 121.223 -0.197 0.000 2.072 248 L HA -0.370 3.864 4.340 -0.175 0.000 0.205 248 L C 2.163 178.879 176.870 -0.256 0.000 1.079 248 L CA 2.586 57.316 54.840 -0.182 0.000 0.752 248 L CB -0.053 41.942 42.059 -0.107 0.000 0.906 248 L HN -0.235 7.894 8.230 -0.147 0.013 0.436 249 L N -2.450 118.583 121.223 -0.317 0.000 2.093 249 L HA -0.296 3.921 4.340 -0.204 0.000 0.208 249 L C 1.921 178.334 176.870 -0.761 0.000 1.085 249 L CA 2.631 57.245 54.840 -0.376 0.000 0.755 249 L CB -0.186 41.745 42.059 -0.214 0.000 0.904 249 L HN -0.156 7.913 8.230 -0.270 0.000 0.435 250 A N -4.146 117.910 122.820 -1.273 0.000 1.972 250 A HA -0.281 2.535 4.320 -2.506 0.000 0.219 250 A C 1.365 178.563 177.584 -0.643 0.000 1.169 250 A CA 2.621 53.711 52.037 -1.578 0.000 0.635 250 A CB -0.228 18.015 19.000 -1.262 0.000 0.810 250 A HN -0.389 7.082 8.150 -1.101 0.018 0.446 251 R N -5.911 114.339 120.500 -0.416 0.000 2.307 251 R HA 0.042 4.265 4.340 -0.196 0.000 0.200 251 R C -0.284 175.924 176.300 -0.153 0.000 0.893 251 R CA 0.202 56.164 56.100 -0.230 0.000 1.042 251 R CB 1.237 31.421 30.300 -0.195 0.000 1.059 251 R HN -0.775 7.075 8.270 -0.444 0.153 0.530 252 D N 1.076 121.384 120.400 -0.154 0.000 2.389 252 D HA 0.063 4.658 4.640 -0.075 0.000 0.247 252 D C 1.099 177.371 176.300 -0.047 0.000 1.128 252 D CA 0.639 54.588 54.000 -0.085 0.000 0.884 252 D CB 2.475 43.231 40.800 -0.073 0.000 1.194 252 D HN -0.562 7.683 8.370 -0.208 0.000 0.441 253 S N 6.298 121.981 115.700 -0.027 0.000 2.440 253 S HA -0.229 4.238 4.470 -0.006 0.000 0.240 253 S C 1.659 176.265 174.600 0.010 0.000 1.014 253 S CA 2.179 60.375 58.200 -0.007 0.000 0.980 253 S CB -0.322 62.876 63.200 -0.005 0.000 0.775 253 S HN 0.558 8.850 8.310 -0.030 0.000 0.499 254 R N -0.614 119.893 120.500 0.013 0.000 2.240 254 R HA -0.006 4.353 4.340 0.032 0.000 0.203 254 R C 1.708 178.040 176.300 0.054 0.000 1.011 254 R CA 1.721 57.840 56.100 0.032 0.000 1.007 254 R CB 0.500 30.820 30.300 0.032 0.000 0.911 254 R HN -0.064 8.486 8.270 0.003 -0.279 0.468 255 T N -7.922 106.665 114.554 0.055 0.000 3.009 255 T HA 0.382 4.810 4.350 0.130 0.000 0.267 255 T C 0.483 175.269 174.700 0.143 0.000 0.942 255 T CA 0.581 62.749 62.100 0.115 0.000 0.883 255 T CB 1.439 70.388 68.868 0.135 0.000 1.192 255 T HN -0.181 7.919 8.240 0.027 0.156 0.524 256 A N 2.703 125.563 122.820 0.068 0.000 1.969 256 A HA -0.134 4.342 4.320 0.073 -0.113 0.218 256 A C 0.741 178.409 177.584 0.140 0.000 1.169 256 A CA 3.352 55.435 52.037 0.077 0.000 0.635 256 A CB -0.396 18.608 19.000 0.008 0.000 0.810 256 A HN 0.177 8.348 8.150 0.034 0.000 0.445 257 c N -1.879 116.780 118.600 0.099 0.000 2.466 257 c HA -0.250 4.369 4.570 0.082 0.000 0.278 257 c C 1.966 176.103 174.090 0.078 0.000 1.288 257 c CA 3.501 59.878 56.329 0.079 0.000 1.722 257 c CB -1.881 40.658 42.510 0.048 0.000 2.017 257 c HN 0.294 8.572 8.230 0.080 0.000 0.488 258 R N -0.079 120.477 120.500 0.093 0.000 2.081 258 R HA -0.287 4.055 4.340 0.004 0.000 0.235 258 R C 1.591 177.912 176.300 0.035 0.000 1.131 258 R CA 2.289 58.419 56.100 0.051 0.000 0.960 258 R CB -0.694 29.650 30.300 0.073 0.000 0.856 258 R HN -0.158 8.175 8.270 0.105 0.000 0.436 259 W N -1.310 119.964 121.300 -0.044 0.000 2.318 259 W HA -0.377 4.236 4.660 -0.079 0.000 0.313 259 W C 2.511 178.983 176.519 -0.077 0.000 1.221 259 W CA 3.549 60.878 57.345 -0.026 0.000 1.266 259 W CB -0.151 29.363 29.460 0.090 0.000 1.150 259 W HN -0.307 8.087 8.180 0.357 0.000 0.496 260 Q N -1.071 118.880 119.800 0.251 0.000 2.119 260 Q HA -0.352 4.127 4.340 0.231 0.000 0.201 260 Q C 2.316 178.272 176.000 -0.073 0.000 0.972 260 Q CA 3.243 59.129 55.803 0.137 0.000 0.847 260 Q CB 0.060 28.893 28.738 0.157 0.000 0.903 260 Q HN -0.019 8.419 8.270 0.279 0.000 0.433 261 S N -1.339 114.305 115.700 -0.094 0.000 2.507 261 S HA -0.075 4.306 4.470 -0.148 0.000 0.235 261 S C 1.422 175.885 174.600 -0.229 0.000 0.988 261 S CA 2.497 60.609 58.200 -0.147 0.000 0.944 261 S CB -0.611 62.528 63.200 -0.102 0.000 0.762 261 S HN -0.283 7.894 8.310 -0.045 0.106 0.526 262 M N -0.256 119.125 119.600 -0.365 0.000 2.492 262 M HA 0.088 4.311 4.480 -0.428 0.000 0.262 262 M C 1.703 177.792 176.300 -0.351 0.000 1.090 262 M CA 0.497 55.472 55.300 -0.541 0.000 1.110 262 M CB -0.709 31.074 32.600 -1.362 0.000 1.407 262 M HN -0.548 7.366 8.290 -0.366 0.156 0.470 263 T N -6.307 108.106 114.554 -0.236 0.000 2.904 263 T HA -0.036 4.291 4.350 -0.038 0.000 0.267 263 T C 0.844 175.472 174.700 -0.119 0.000 1.059 263 T CA 2.225 64.256 62.100 -0.116 0.000 1.137 263 T CB 0.094 68.905 68.868 -0.095 0.000 0.879 263 T HN -0.480 7.560 8.240 -0.238 0.057 0.467 264 S N -1.334 114.270 115.700 -0.160 0.000 2.511 264 S HA -0.010 4.400 4.470 -0.100 0.000 0.214 264 S C -0.420 174.124 174.600 -0.093 0.000 0.997 264 S CA 0.331 58.456 58.200 -0.124 0.000 0.908 264 S CB 0.740 63.851 63.200 -0.148 0.000 0.803 264 S HN -0.033 8.164 8.310 -0.188 0.000 0.504 265 S N 2.470 118.108 115.700 -0.103 0.000 2.733 265 S HA 0.302 4.734 4.470 -0.062 0.000 0.307 265 S C 0.239 174.793 174.600 -0.076 0.000 1.127 265 S CA -0.714 57.440 58.200 -0.078 0.000 1.097 265 S CB 0.587 63.744 63.200 -0.073 0.000 1.003 265 S HN -0.546 7.688 8.310 -0.127 0.000 0.477 266 N N 9.434 128.099 118.700 -0.057 0.000 2.205 266 N HA -0.320 4.368 4.740 -0.087 0.000 0.186 266 N C 1.212 176.716 175.510 -0.009 0.000 1.015 266 N CA 3.090 56.110 53.050 -0.050 0.000 0.862 266 N CB -0.056 38.413 38.487 -0.031 0.000 0.986 266 N HN 0.602 8.953 8.380 -0.049 0.000 0.429 267 E N 0.102 120.300 120.200 -0.005 0.000 2.072 267 E HA -0.214 4.158 4.350 0.037 0.000 0.190 267 E C 1.130 177.739 176.600 0.015 0.000 0.982 267 E CA 2.558 58.968 56.400 0.016 0.000 0.803 267 E CB 0.049 29.753 29.700 0.006 0.000 0.755 267 E HN -0.482 7.831 8.360 -0.018 0.036 0.453 268 V N 0.053 119.959 119.914 -0.013 0.000 2.453 268 V HA -0.231 3.887 4.120 -0.003 0.000 0.247 268 V C 1.361 177.448 176.094 -0.012 0.000 1.048 268 V CA 3.160 65.448 62.300 -0.018 0.000 1.049 268 V CB 0.144 31.939 31.823 -0.047 0.000 0.672 268 V HN -0.375 7.798 8.190 -0.028 0.000 0.457 269 M N 0.452 120.029 119.600 -0.039 0.000 2.108 269 M HA -0.263 4.176 4.480 -0.067 0.000 0.261 269 M C 2.125 178.501 176.300 0.126 0.000 1.066 269 M CA 4.005 59.285 55.300 -0.033 0.000 1.107 269 M CB -0.267 32.258 32.600 -0.125 0.000 1.356 269 M HN -0.180 8.075 8.290 -0.059 0.000 0.406 270 G N -1.473 107.435 108.800 0.180 0.000 2.402 270 G HA2 -0.344 3.943 3.960 0.544 0.000 0.216 270 G HA3 -0.344 3.783 3.960 0.279 0.000 0.216 270 G C 1.524 176.556 174.900 0.220 0.000 1.162 270 G CA 2.196 47.488 45.100 0.321 0.000 0.777 270 G HN -0.092 8.266 8.290 0.114 0.000 0.539 271 Q N 2.501 122.375 119.800 0.123 0.000 2.050 271 Q HA -0.210 4.132 4.340 0.003 0.000 0.202 271 Q C 2.924 178.976 176.000 0.087 0.000 0.980 271 Q CA 2.170 58.022 55.803 0.081 0.000 0.840 271 Q CB -0.211 28.554 28.738 0.044 0.000 0.898 271 Q HN 0.300 nan 8.270 nan 0.000 0.424 272 R N -0.724 119.831 120.500 0.091 0.000 2.081 272 R HA -0.318 4.055 4.340 0.056 0.000 0.235 272 R C 2.117 178.497 176.300 0.132 0.000 1.131 272 R CA 2.886 59.035 56.100 0.083 0.000 0.960 272 R CB 0.146 30.476 30.300 0.050 0.000 0.856 272 R HN -0.322 7.997 8.270 0.082 0.000 0.436 273 Y N 0.529 120.867 120.300 0.064 0.000 2.181 273 Y HA -0.353 4.226 4.550 0.049 0.000 0.288 273 Y C 1.234 177.146 175.900 0.021 0.000 1.146 273 Y CA 2.966 61.109 58.100 0.072 0.000 1.164 273 Y CB 0.048 38.632 38.460 0.206 0.000 0.982 273 Y HN -0.035 8.442 8.280 0.328 0.000 0.515 274 R N -0.584 119.946 120.500 0.050 0.000 2.091 274 R HA -0.535 3.694 4.340 -0.185 0.000 0.238 274 R C 2.021 178.265 176.300 -0.093 0.000 1.136 274 R CA 3.518 59.571 56.100 -0.078 0.000 0.959 274 R CB -0.246 30.054 30.300 0.000 0.000 0.856 274 R HN 0.075 8.457 8.270 0.187 0.000 0.437 275 A N -2.102 120.701 122.820 -0.030 0.000 1.898 275 A HA -0.211 4.098 4.320 -0.018 0.000 0.216 275 A C 1.872 179.448 177.584 -0.013 0.000 1.181 275 A CA 2.854 54.883 52.037 -0.014 0.000 0.620 275 A CB -0.875 18.134 19.000 0.015 0.000 0.819 275 A HN -0.270 7.883 8.150 0.005 0.000 0.442 276 A N -1.413 121.393 122.820 -0.025 0.000 1.898 276 A HA -0.341 4.043 4.320 0.106 0.000 0.216 276 A C 1.808 179.362 177.584 -0.050 0.000 1.181 276 A CA 2.822 54.863 52.037 0.006 0.000 0.620 276 A CB -0.435 18.549 19.000 -0.027 0.000 0.819 276 A HN -0.385 7.748 8.150 -0.029 0.000 0.442 277 M N -2.260 117.201 119.600 -0.231 0.000 2.175 277 M HA -0.316 4.037 4.480 -0.212 0.000 0.264 277 M C 2.404 178.642 176.300 -0.103 0.000 1.063 277 M CA 1.570 56.718 55.300 -0.254 0.000 1.119 277 M CB -1.147 31.145 32.600 -0.513 0.000 1.377 277 M HN 0.072 8.172 8.290 -0.317 0.000 0.415 278 A N -0.783 121.987 122.820 -0.084 0.000 1.902 278 A HA -0.278 4.008 4.320 -0.056 0.000 0.217 278 A C 1.305 178.886 177.584 -0.004 0.000 1.181 278 A CA 2.895 54.905 52.037 -0.046 0.000 0.623 278 A CB -0.725 18.249 19.000 -0.044 0.000 0.818 278 A HN -0.254 7.832 8.150 -0.107 0.000 0.443 279 K N -2.144 118.280 120.400 0.039 0.000 2.026 279 K HA -0.309 4.022 4.320 0.018 0.000 0.208 279 K C 2.591 179.259 176.600 0.114 0.000 1.048 279 K CA 2.733 59.062 56.287 0.070 0.000 0.929 279 K CB -0.067 32.512 32.500 0.133 0.000 0.713 279 K HN -0.607 7.666 8.250 0.039 0.000 0.439 280 M N -0.714 119.033 119.600 0.246 0.000 2.213 280 M HA -0.256 4.507 4.480 0.471 0.000 0.263 280 M C 2.034 178.423 176.300 0.148 0.000 1.062 280 M CA 3.169 58.666 55.300 0.328 0.000 1.105 280 M CB 0.153 32.932 32.600 0.300 0.000 1.385 280 M HN -0.214 8.213 8.290 0.228 0.000 0.417 281 S N -2.081 113.660 115.700 0.067 0.000 2.507 281 S HA -0.164 4.414 4.470 0.043 -0.082 0.235 281 S C 0.396 175.000 174.600 0.006 0.000 0.988 281 S CA 2.383 60.597 58.200 0.023 0.000 0.944 281 S CB -0.371 62.814 63.200 -0.025 0.000 0.762 281 S HN -0.083 8.225 8.310 0.051 0.033 0.526 282 V N -6.641 113.286 119.914 0.022 0.000 3.159 282 V HA 0.447 4.638 4.120 0.118 0.000 0.333 282 V C -0.864 175.250 176.094 0.035 0.000 1.424 282 V CA -2.584 59.755 62.300 0.066 0.000 1.125 282 V CB -0.643 31.192 31.823 0.020 0.000 1.075 282 V HN -0.803 7.336 8.190 0.020 0.063 0.482 283 L N 2.120 123.292 121.223 -0.085 0.000 2.513 283 L HA -0.128 3.831 4.340 -0.636 0.000 0.272 283 L C 1.148 177.747 176.870 -0.452 0.000 1.187 283 L CA 1.646 56.195 54.840 -0.484 0.000 0.895 283 L CB -0.494 41.263 42.059 -0.504 0.000 1.147 283 L HN -0.744 7.473 8.230 -0.022 0.000 0.483 284 G N 1.637 109.969 108.800 -0.780 0.000 2.175 284 G HA2 -0.361 3.364 3.960 -0.392 0.000 0.244 284 G HA3 -0.361 3.451 3.960 -0.591 -0.207 0.244 284 G C -0.601 173.775 174.900 -0.873 0.000 0.982 284 G CA -0.047 44.678 45.100 -0.624 0.000 0.641 284 G HN 0.473 8.185 8.290 -0.964 0.000 0.527 285 F N -0.861 119.017 119.950 -0.120 0.000 2.613 285 F HA 0.146 4.655 4.527 -0.029 0.000 0.314 285 F C -1.439 174.322 175.800 -0.065 0.000 1.075 285 F CA -1.096 56.866 58.000 -0.063 0.000 0.945 285 F CB 2.612 41.576 39.000 -0.061 0.000 1.310 285 F HN -0.482 7.688 8.300 -0.113 0.062 0.467 286 D N 2.141 122.628 120.400 0.145 0.000 2.347 286 D HA 0.151 4.815 4.640 0.040 0.000 0.235 286 D C 0.934 177.268 176.300 0.056 0.000 1.149 286 D CA -0.971 53.070 54.000 0.069 0.000 0.850 286 D CB 0.553 41.380 40.800 0.045 0.000 1.061 286 D HN 0.255 8.732 8.370 0.178 0.000 0.487 287 R N 6.123 126.634 120.500 0.020 0.000 2.159 287 R HA -0.316 4.005 4.340 -0.032 0.000 0.237 287 R C 1.716 177.999 176.300 -0.029 0.000 1.131 287 R CA 2.440 58.528 56.100 -0.020 0.000 0.982 287 R CB -0.540 29.737 30.300 -0.039 0.000 0.868 287 R HN 0.520 8.799 8.270 0.015 0.000 0.453 288 N N -0.848 117.845 118.700 -0.013 0.000 2.512 288 N HA -0.167 4.559 4.740 -0.024 0.000 0.183 288 N C 0.257 175.761 175.510 -0.011 0.000 1.073 288 N CA 1.824 54.865 53.050 -0.015 0.000 0.911 288 N CB -0.037 38.446 38.487 -0.007 0.000 0.964 288 N HN -0.254 8.335 8.380 -0.004 -0.211 0.447 289 A N -1.838 120.983 122.820 0.000 0.000 2.275 289 A HA 0.145 4.467 4.320 0.003 0.000 0.212 289 A C -0.538 177.038 177.584 -0.014 0.000 1.201 289 A CA 0.004 52.044 52.037 0.006 0.000 0.843 289 A CB 0.744 19.765 19.000 0.036 0.000 0.873 289 A HN -0.363 7.628 8.150 0.009 0.164 0.492 290 L N -3.366 117.829 121.223 -0.047 0.000 2.358 290 L HA 0.298 4.646 4.340 -0.091 -0.063 0.268 290 L C 0.053 176.858 176.870 -0.110 0.000 1.032 290 L CA -1.246 53.533 54.840 -0.100 0.000 0.805 290 L CB 1.776 43.739 42.059 -0.161 0.000 1.253 290 L HN -0.813 7.208 8.230 -0.044 0.183 0.452 291 T N 2.561 117.029 114.554 -0.142 0.000 2.794 291 T HA 0.198 4.495 4.350 -0.089 0.000 0.280 291 T C -1.523 173.061 174.700 -0.194 0.000 0.987 291 T CA -0.377 61.649 62.100 -0.123 0.000 0.993 291 T CB 1.610 70.433 68.868 -0.076 0.000 0.939 291 T HN 0.274 8.412 8.240 -0.170 0.000 0.449 292 D N 5.042 125.356 120.400 -0.143 0.000 2.336 292 D HA 0.082 4.583 4.640 -0.231 0.000 0.249 292 D C 0.004 176.236 176.300 -0.114 0.000 1.213 292 D CA -0.015 53.892 54.000 -0.155 0.000 0.870 292 D CB -0.148 40.597 40.800 -0.092 0.000 1.076 292 D HN 0.353 8.663 8.370 -0.100 0.000 0.483 293 c N 6.157 124.664 118.600 -0.155 0.000 2.638 293 c HA 0.309 4.888 4.570 0.016 0.000 0.282 293 c C 1.070 175.229 174.090 0.115 0.000 1.473 293 c CA -1.600 54.726 56.329 -0.006 0.000 1.781 293 c CB -1.860 40.650 42.510 -0.001 0.000 2.780 293 c HN 0.197 8.250 8.230 -0.296 0.000 0.531 294 S N 2.941 118.673 115.700 0.054 0.000 2.419 294 S HA -0.299 4.247 4.470 0.127 0.000 0.235 294 S C 1.413 176.057 174.600 0.074 0.000 1.019 294 S CA 3.922 62.167 58.200 0.076 0.000 0.982 294 S CB -0.211 63.002 63.200 0.022 0.000 0.789 294 S HN -0.193 8.328 8.310 -0.008 -0.216 0.490 295 D N -1.983 118.464 120.400 0.079 0.000 2.310 295 D HA -0.220 4.471 4.640 0.085 0.000 0.212 295 D C 0.840 177.224 176.300 0.139 0.000 0.965 295 D CA 1.384 55.446 54.000 0.103 0.000 0.879 295 D CB -1.141 39.732 40.800 0.121 0.000 0.921 295 D HN 0.213 8.588 8.370 0.072 0.038 0.510 296 V N -1.971 117.998 119.914 0.091 0.000 2.809 296 V HA -0.161 4.036 4.120 0.128 0.000 0.256 296 V C 0.728 176.861 176.094 0.065 0.000 1.080 296 V CA 1.115 63.431 62.300 0.026 0.000 1.102 296 V CB -0.475 31.225 31.823 -0.206 0.000 0.705 296 V HN -0.653 7.545 8.190 0.083 0.042 0.475 297 I N -0.475 120.109 120.570 0.022 0.000 2.312 297 I HA 0.358 4.456 4.170 -0.119 0.000 0.291 297 I C -1.942 174.164 176.117 -0.017 0.000 1.031 297 I CA -3.880 57.383 61.300 -0.060 0.000 1.293 297 I CB -0.736 37.205 38.000 -0.099 0.000 1.403 297 I HN -0.522 7.551 8.210 0.046 0.165 0.484 298 P HA 0.202 4.634 4.420 0.020 0.000 0.278 298 P C -1.414 175.868 177.300 -0.030 0.000 1.266 298 P CA -1.258 61.840 63.100 -0.004 0.000 0.807 298 P CB 0.952 32.655 31.700 0.006 0.000 1.094 299 S N -2.396 113.295 115.700 -0.015 0.000 2.584 299 S HA 0.036 4.487 4.470 -0.032 0.000 0.273 299 S C -0.312 174.268 174.600 -0.033 0.000 1.311 299 S CA -0.439 57.747 58.200 -0.023 0.000 1.034 299 S CB 0.526 63.721 63.200 -0.009 0.000 0.939 299 S HN -0.201 8.108 8.310 -0.001 0.000 0.513 300 A N 2.209 125.003 122.820 -0.043 0.000 2.351 300 A HA 0.113 4.561 4.320 -0.055 -0.161 0.257 300 A C -0.042 177.527 177.584 -0.024 0.000 1.087 300 A CA -0.520 51.490 52.037 -0.045 0.000 0.798 300 A CB 0.861 19.828 19.000 -0.055 0.000 1.033 300 A HN 0.071 8.194 8.150 -0.044 0.000 0.488 301 V N 2.618 122.518 119.914 -0.023 0.000 2.694 301 V HA -0.071 4.044 4.120 -0.009 0.000 0.306 301 V C -0.070 176.022 176.094 -0.003 0.000 1.054 301 V CA 0.444 62.737 62.300 -0.011 0.000 1.161 301 V CB 1.751 33.567 31.823 -0.012 0.000 0.916 301 V HN 0.556 8.727 8.190 -0.031 0.000 0.490 302 S N 6.819 122.521 115.700 0.002 0.000 2.585 302 S HA -0.073 4.405 4.470 0.014 0.000 0.273 302 S C -0.776 173.829 174.600 0.010 0.000 1.339 302 S CA 0.262 58.468 58.200 0.009 0.000 1.028 302 S CB 0.820 64.024 63.200 0.008 0.000 0.906 302 S HN 0.180 8.491 8.310 0.001 0.000 0.528 303 N N 0.768 119.478 118.700 0.017 0.000 2.426 303 N HA 0.050 4.796 4.740 0.010 0.000 0.257 303 N C -0.235 175.280 175.510 0.008 0.000 1.002 303 N CA -0.266 52.792 53.050 0.014 0.000 0.942 303 N CB 0.439 38.939 38.487 0.021 0.000 1.112 303 N HN 0.195 8.589 8.380 0.022 0.000 0.499 304 N N 5.307 124.010 118.700 0.004 0.000 2.280 304 N HA 0.003 4.744 4.740 0.002 0.000 0.192 304 N C -0.482 175.027 175.510 -0.001 0.000 1.109 304 N CA 0.117 53.168 53.050 0.001 0.000 0.855 304 N CB 0.410 38.897 38.487 0.000 0.000 0.974 304 N HN 0.341 8.722 8.380 0.003 0.000 0.482 305 A N 1.371 124.190 122.820 -0.001 0.000 2.388 305 A HA 0.084 4.402 4.320 -0.003 0.000 0.257 305 A C -0.915 176.666 177.584 -0.004 0.000 1.095 305 A CA -0.093 51.943 52.037 -0.003 0.000 0.791 305 A CB 0.705 19.703 19.000 -0.003 0.000 1.029 305 A HN -0.683 7.685 8.150 -0.000 -0.218 0.489 306 A N 2.092 124.910 122.820 -0.004 0.000 2.340 306 A HA 0.238 4.553 4.320 -0.007 0.000 0.268 306 A C -1.698 175.886 177.584 -0.001 0.000 1.100 306 A CA -2.046 49.989 52.037 -0.004 0.000 0.803 306 A CB -0.277 18.721 19.000 -0.003 0.000 1.043 306 A HN 0.115 8.263 8.150 -0.003 0.000 0.488 307 P HA -0.060 4.533 4.420 0.012 -0.167 0.266 307 P C -1.694 175.621 177.300 0.025 0.000 1.193 307 P CA -0.091 63.015 63.100 0.010 0.000 0.770 307 P CB 0.514 32.213 31.700 -0.000 0.000 0.836 308 V N 1.549 121.488 119.914 0.042 0.000 3.012 308 V HA 0.351 4.657 4.120 0.049 -0.157 0.307 308 V C -1.748 174.392 176.094 0.076 0.000 1.166 308 V CA -1.623 60.706 62.300 0.048 0.000 0.974 308 V CB 4.512 36.350 31.823 0.026 0.000 1.040 308 V HN -0.313 8.171 8.190 0.047 -0.267 0.428 309 I N 6.265 126.885 120.570 0.083 0.000 2.322 309 I HA 0.391 4.632 4.170 0.118 0.000 0.292 309 I C -1.838 174.319 176.117 0.067 0.000 1.060 309 I CA -2.462 58.895 61.300 0.095 0.000 1.309 309 I CB -0.122 37.932 38.000 0.090 0.000 1.415 309 I HN 0.471 8.727 8.210 0.076 0.000 0.492 310 P HA 0.050 4.447 4.420 -0.038 0.000 0.274 310 P C -0.060 177.222 177.300 -0.030 0.000 1.246 310 P CA -0.075 63.013 63.100 -0.019 0.000 0.795 310 P CB 0.365 31.985 31.700 -0.133 0.000 1.006 311 G N -1.011 107.734 108.800 -0.092 0.000 2.225 311 G HA2 -0.409 3.702 3.960 -0.104 0.000 0.267 311 G HA3 -0.409 3.478 3.960 -0.122 0.000 0.267 311 G C -0.045 174.840 174.900 -0.025 0.000 1.024 311 G CA 0.689 45.736 45.100 -0.088 0.000 0.784 311 G HN 0.514 8.743 8.290 -0.102 0.000 0.507 312 G N -3.150 105.644 108.800 -0.010 0.000 2.179 312 G HA2 -0.421 3.688 3.960 0.001 0.000 0.260 312 G HA3 -0.421 3.539 3.960 -0.001 0.000 0.260 312 G C 0.015 174.923 174.900 0.015 0.000 0.977 312 G CA -0.249 44.852 45.100 0.002 0.000 0.641 312 G HN -0.111 8.136 8.290 -0.013 0.036 0.533 313 L N 0.054 121.295 121.223 0.030 0.000 2.472 313 L HA 0.025 4.463 4.340 0.024 -0.083 0.260 313 L C -0.456 176.427 176.870 0.021 0.000 1.209 313 L CA 0.857 55.717 54.840 0.034 0.000 0.817 313 L CB 0.992 43.091 42.059 0.065 0.000 1.106 313 L HN -0.704 7.468 8.230 0.035 0.079 0.479 314 T N -6.961 107.595 114.554 0.005 0.000 2.742 314 T HA 0.273 4.633 4.350 0.016 0.000 0.282 314 T C 0.671 175.353 174.700 -0.031 0.000 1.025 314 T CA -2.469 59.632 62.100 0.001 0.000 1.020 314 T CB 2.989 71.858 68.868 0.000 0.000 1.317 314 T HN -0.004 8.612 8.240 -0.003 -0.378 0.538 315 V N 0.262 120.160 119.914 -0.027 0.000 2.688 315 V HA -0.180 3.830 4.120 -0.183 0.000 0.256 315 V C 1.172 177.193 176.094 -0.121 0.000 1.084 315 V CA 2.940 65.183 62.300 -0.095 0.000 1.103 315 V CB -0.292 31.529 31.823 -0.004 0.000 0.688 315 V HN 0.452 8.646 8.190 0.005 0.000 0.480 316 D N -1.394 118.966 120.400 -0.067 0.000 2.310 316 D HA -0.143 4.454 4.640 -0.071 0.000 0.212 316 D C 0.677 176.928 176.300 -0.081 0.000 0.965 316 D CA 2.210 56.170 54.000 -0.066 0.000 0.879 316 D CB 0.062 40.839 40.800 -0.038 0.000 0.921 316 D HN -0.385 7.929 8.370 -0.043 0.031 0.510 317 D N -2.668 117.681 120.400 -0.085 0.000 2.349 317 D HA 0.052 4.648 4.640 -0.074 0.000 0.215 317 D C -0.565 175.656 176.300 -0.132 0.000 1.016 317 D CA 0.972 54.921 54.000 -0.085 0.000 0.870 317 D CB 0.712 41.483 40.800 -0.048 0.000 0.917 317 D HN -0.223 7.952 8.370 -0.077 0.149 0.524 318 I N -0.187 120.257 120.570 -0.211 0.000 2.416 318 I HA -0.013 4.142 4.170 -0.262 -0.143 0.288 318 I C 0.054 176.021 176.117 -0.250 0.000 1.051 318 I CA -1.673 59.438 61.300 -0.316 0.000 1.375 318 I CB -0.865 36.728 38.000 -0.679 0.000 1.407 318 I HN -0.729 7.182 8.210 -0.214 0.171 0.516 319 E N 9.297 129.381 120.200 -0.193 0.000 1.802 319 E HA -0.057 4.216 4.350 -0.129 0.000 0.265 319 E C -0.933 175.589 176.600 -0.130 0.000 1.168 319 E CA -0.836 55.478 56.400 -0.143 0.000 1.033 319 E CB -1.264 28.362 29.700 -0.122 0.000 1.095 319 E HN 0.100 8.349 8.360 -0.185 0.000 0.436 320 V N 3.354 123.192 119.914 -0.128 0.000 2.493 320 V HA -0.148 3.956 4.120 -0.027 0.000 0.292 320 V C 0.246 176.336 176.094 -0.007 0.000 1.016 320 V CA 1.317 63.590 62.300 -0.046 0.000 1.097 320 V CB -0.756 31.063 31.823 -0.005 0.000 0.947 320 V HN -0.471 7.613 8.190 -0.142 0.021 0.479 321 S N 5.643 121.357 115.700 0.023 0.000 2.666 321 S HA 0.125 4.585 4.470 -0.018 0.000 0.239 321 S C -1.302 173.311 174.600 0.023 0.000 1.031 321 S CA -0.174 58.024 58.200 -0.003 0.000 1.015 321 S CB 1.557 64.729 63.200 -0.047 0.000 0.981 321 S HN 0.467 8.818 8.310 0.067 0.000 0.547 322 c N 4.043 122.679 118.600 0.060 0.000 2.223 322 c HA 0.649 5.244 4.570 0.042 0.000 0.324 322 c C -1.214 172.903 174.090 0.045 0.000 1.196 322 c CA -3.501 52.862 56.329 0.056 0.000 1.628 322 c CB -0.048 42.507 42.510 0.074 0.000 2.229 322 c HN -0.630 7.773 8.230 0.086 -0.121 0.486 323 P HA -0.033 4.400 4.420 0.021 0.000 0.237 323 P C -0.577 176.736 177.300 0.022 0.000 1.178 323 P CA 1.263 64.376 63.100 0.021 0.000 0.766 323 P CB 0.015 31.722 31.700 0.011 0.000 0.876 324 S N -4.177 111.537 115.700 0.024 0.000 2.559 324 S HA 0.104 4.584 4.470 0.016 0.000 0.226 324 S C -0.118 174.494 174.600 0.019 0.000 1.000 324 S CA -0.056 58.156 58.200 0.019 0.000 0.948 324 S CB 0.689 63.898 63.200 0.015 0.000 0.870 324 S HN -0.033 8.227 8.310 0.027 0.066 0.497 325 E N 1.879 122.096 120.200 0.028 0.000 2.256 325 E HA 0.493 4.851 4.350 0.014 0.000 0.268 325 E C -2.727 173.897 176.600 0.041 0.000 0.877 325 E CA -2.803 53.611 56.400 0.023 0.000 0.757 325 E CB 1.700 31.407 29.700 0.012 0.000 1.183 325 E HN -0.710 7.672 8.360 0.036 0.000 0.418 326 P HA 0.073 4.543 4.420 0.083 0.000 0.269 326 P C -1.073 176.275 177.300 0.080 0.000 1.215 326 P CA -0.263 62.875 63.100 0.063 0.000 0.780 326 P CB 0.767 32.490 31.700 0.039 0.000 0.898 327 F N 1.862 121.815 119.950 0.004 0.000 2.538 327 F HA -0.039 4.494 4.527 0.010 0.000 0.371 327 F C -1.406 174.396 175.800 0.005 0.000 1.087 327 F CA -1.734 56.270 58.000 0.008 0.000 1.250 327 F CB 0.266 39.272 39.000 0.010 0.000 1.110 327 F HN -0.036 8.426 8.300 0.272 0.000 0.570 328 P HA -0.057 4.236 4.420 -0.213 0.000 0.268 328 P C -1.767 175.434 177.300 -0.165 0.000 1.208 328 P CA -0.346 62.536 63.100 -0.364 0.000 0.777 328 P CB 0.893 32.325 31.700 -0.446 0.000 0.875 329 E N 1.324 121.487 120.200 -0.062 0.000 2.081 329 E HA -0.078 4.305 4.350 0.054 0.000 0.270 329 E C -0.814 175.787 176.600 0.002 0.000 1.180 329 E CA -0.041 56.363 56.400 0.007 0.000 0.926 329 E CB -1.113 28.589 29.700 0.002 0.000 1.035 329 E HN 0.207 8.522 8.360 -0.075 0.000 0.418 330 I N 5.416 126.018 120.570 0.054 0.000 2.474 330 I HA 0.088 4.273 4.170 0.024 0.000 0.294 330 I C -0.786 175.372 176.117 0.068 0.000 1.005 330 I CA -1.271 60.065 61.300 0.060 0.000 1.113 330 I CB 2.063 40.132 38.000 0.114 0.000 1.289 330 I HN -0.414 7.857 8.210 0.103 0.000 0.436 331 A N 6.514 129.360 122.820 0.043 0.000 2.483 331 A HA 0.072 4.411 4.320 0.033 0.000 0.238 331 A C -0.703 176.906 177.584 0.042 0.000 1.070 331 A CA 0.026 52.084 52.037 0.035 0.000 0.770 331 A CB 0.849 19.861 19.000 0.020 0.000 1.008 331 A HN 0.450 8.620 8.150 0.033 0.000 0.497 332 T N 0.207 114.781 114.554 0.033 0.000 2.922 332 T HA 0.596 5.111 4.350 0.038 -0.142 0.281 332 T C 1.272 175.981 174.700 0.014 0.000 1.005 332 T CA -1.678 60.440 62.100 0.029 0.000 0.982 332 T CB 1.388 70.272 68.868 0.026 0.000 1.158 332 T HN -0.121 8.136 8.240 0.028 0.000 0.566 333 A N -0.023 122.801 122.820 0.006 0.000 2.443 333 A HA 0.512 4.834 4.320 0.003 0.000 0.278 333 A C 0.227 177.805 177.584 -0.010 0.000 1.252 333 A CA -0.739 51.293 52.037 -0.007 0.000 0.816 333 A CB 0.684 19.672 19.000 -0.021 0.000 1.369 333 A HN 0.161 nan 8.150 nan 0.000 0.446 334 S N 0.216 115.905 115.700 -0.017 0.000 2.592 334 S HA 0.207 4.679 4.470 0.003 0.000 0.271 334 S C 1.376 175.961 174.600 -0.024 0.000 1.326 334 S CA -1.097 57.093 58.200 -0.017 0.000 1.024 334 S CB 0.411 63.601 63.200 -0.017 0.000 0.921 334 S HN 0.118 nan 8.310 nan 0.000 0.527 335 G N 1.418 110.207 108.800 -0.018 0.000 2.611 335 G HA2 0.230 4.192 3.960 0.003 0.000 0.273 335 G HA3 0.230 4.192 3.960 0.003 0.000 0.273 335 G C -2.240 172.643 174.900 -0.027 0.000 1.305 335 G CA -0.917 44.170 45.100 -0.023 0.000 1.010 335 G HN 0.186 nan 8.290 nan 0.000 0.509 336 P HA 0.045 nan 4.420 nan 0.000 0.302 336 P C 0.121 177.394 177.300 -0.046 0.000 1.307 336 P CA -1.050 62.035 63.100 -0.025 0.000 0.754 336 P CB 0.463 32.153 31.700 -0.017 0.000 1.298 337 L N 0.526 121.729 121.223 -0.033 0.000 2.485 337 L HA 0.123 4.465 4.340 0.003 0.000 0.275 337 L C -1.259 175.533 176.870 -0.131 0.000 1.207 337 L CA -2.212 52.593 54.840 -0.059 0.000 0.855 337 L CB -1.394 40.689 42.059 0.040 0.000 1.114 337 L HN -0.041 nan 8.230 nan 0.000 0.485 338 P HA 0.055 4.366 4.420 -0.181 0.000 0.276 338 P C -1.904 175.302 177.300 -0.156 0.000 1.261 338 P CA -0.572 62.359 63.100 -0.282 0.000 0.800 338 P CB 1.099 32.499 31.700 -0.499 0.000 1.066 339 S N -0.728 114.930 115.700 -0.070 0.000 2.596 339 S HA 0.115 4.837 4.470 0.075 -0.207 0.318 339 S C -0.029 174.585 174.600 0.024 0.000 1.097 339 S CA -1.019 57.193 58.200 0.021 0.000 1.080 339 S CB 0.866 64.084 63.200 0.029 0.000 0.991 339 S HN -0.153 8.111 8.310 -0.077 0.000 0.471 340 L N 7.743 129.017 121.223 0.085 0.000 2.360 340 L HA 0.128 4.492 4.340 0.039 0.000 0.276 340 L C -0.004 176.905 176.870 0.065 0.000 1.121 340 L CA -0.342 54.545 54.840 0.078 0.000 0.845 340 L CB 0.435 42.580 42.059 0.143 0.000 1.143 340 L HN 0.201 8.519 8.230 0.147 0.000 0.452 341 A N 5.731 128.576 122.820 0.041 0.000 2.466 341 A HA 0.086 4.432 4.320 0.042 0.000 0.238 341 A C -1.833 175.777 177.584 0.042 0.000 1.074 341 A CA -1.580 50.480 52.037 0.038 0.000 0.774 341 A CB -1.256 17.759 19.000 0.025 0.000 1.015 341 A HN 0.255 8.422 8.150 0.029 0.000 0.498 342 P HA -0.239 4.329 4.420 0.027 -0.131 0.266 342 P C -1.020 176.288 177.300 0.012 0.000 1.195 342 P CA 0.076 63.197 63.100 0.035 0.000 0.768 342 P CB 0.555 32.296 31.700 0.068 0.000 0.838 343 A N 4.846 127.653 122.820 -0.021 0.000 2.498 343 A HA 0.038 4.349 4.320 -0.015 0.000 0.239 343 A C -1.188 176.382 177.584 -0.023 0.000 1.068 343 A CA -1.205 50.814 52.037 -0.031 0.000 0.766 343 A CB -0.775 18.187 19.000 -0.064 0.000 1.003 343 A HN 0.142 8.268 8.150 -0.039 0.000 0.497 344 P HA 0.000 4.428 4.420 0.014 0.000 0.216 344 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 344 P CB 0.000 31.699 31.700 -0.002 0.000 0.726