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 1lh0_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MKPYQRQFIE FALNKQVLKF GEFTLKSGRK SPYFFNAGLF NTGRDLALLG DATA SEQUENCE RFYAEALVDS GIEFDLLFGP AYKGIPIATT TAVALAEHHD KDLPYCFNRK DATA SEQUENCE EAKDHGEGGS LVGSALQGRV MLVDDVITAG TAIRESMEII QAHGATLAGV DATA SEQUENCE LISLDRQERG RGEISAIQEV ERDYGCKVIS IITLKDLIAY LEEKPDMAEH DATA SEQUENCE LAAVRAYREE FGV 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 1001 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1001 M C 0.000 176.251 176.300 -0.081 0.000 1.140 1001 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1001 M CB 0.000 32.558 32.600 -0.071 0.000 1.302 1002 K N 1.501 121.798 120.400 -0.173 0.000 2.168 1002 K HA 0.409 4.728 4.320 -0.001 0.000 0.258 1002 K C -1.844 174.669 176.600 -0.146 0.000 1.010 1002 K CA -1.043 55.149 56.287 -0.159 0.000 0.929 1002 K CB 0.287 32.640 32.500 -0.245 0.000 0.998 1002 K HN 0.392 8.642 8.250 -0.000 0.000 0.479 1003 P HA -0.228 4.192 4.420 -0.000 0.000 0.216 1003 P C 1.004 178.379 177.300 0.126 0.000 1.150 1003 P CA 1.555 64.696 63.100 0.068 0.000 0.837 1003 P CB -0.094 31.672 31.700 0.109 0.000 0.786 1004 Y N 0.396 120.787 120.300 0.153 0.000 2.352 1004 Y HA -0.075 4.474 4.550 -0.001 0.000 0.292 1004 Y C 2.295 178.323 175.900 0.214 0.000 1.136 1004 Y CA 0.846 59.101 58.100 0.259 0.000 1.227 1004 Y CB -1.812 36.794 38.460 0.245 0.000 0.991 1004 Y HN -0.040 8.240 8.280 -0.000 0.000 0.545 1005 Q N 0.219 119.767 119.800 -0.421 0.000 2.083 1005 Q HA -0.133 4.207 4.340 -0.001 0.000 0.198 1005 Q C 2.320 178.284 176.000 -0.060 0.000 0.969 1005 Q CA 1.368 57.001 55.803 -0.284 0.000 0.838 1005 Q CB -0.175 28.301 28.738 -0.437 0.000 0.900 1005 Q HN 0.396 8.666 8.270 -0.000 0.000 0.436 1006 R N 1.284 121.771 120.500 -0.022 0.000 2.073 1006 R HA -0.154 4.185 4.340 -0.001 0.000 0.234 1006 R C 1.982 178.317 176.300 0.059 0.000 1.134 1006 R CA 1.802 57.942 56.100 0.068 0.000 0.952 1006 R CB -0.172 30.199 30.300 0.120 0.000 0.850 1006 R HN 0.246 8.516 8.270 -0.000 0.000 0.433 1007 Q N -1.120 118.753 119.800 0.122 0.000 2.124 1007 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 1007 Q C 1.839 177.820 176.000 -0.031 0.000 0.977 1007 Q CA 1.659 57.566 55.803 0.174 0.000 0.850 1007 Q CB -0.264 28.713 28.738 0.398 0.000 0.901 1007 Q HN 0.325 8.595 8.270 -0.000 0.000 0.429 1008 F N 1.046 120.727 119.950 -0.449 0.000 2.134 1008 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 1008 F C 1.775 177.405 175.800 -0.284 0.000 1.097 1008 F CA 1.123 58.642 58.000 -0.802 0.000 1.264 1008 F CB -0.111 38.480 39.000 -0.682 0.000 1.001 1008 F HN -0.027 8.273 8.300 -0.000 0.000 0.479 1009 I N 0.221 120.619 120.570 -0.287 0.000 2.163 1009 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 1009 I C 2.240 178.094 176.117 -0.438 0.000 1.085 1009 I CA 1.825 62.860 61.300 -0.441 0.000 1.347 1009 I CB -0.650 36.979 38.000 -0.619 0.000 1.044 1009 I HN 0.185 8.395 8.210 -0.000 0.000 0.408 1010 E N 0.458 120.486 120.200 -0.287 0.000 2.077 1010 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 1010 E C 2.071 178.663 176.600 -0.014 0.000 0.989 1010 E CA 1.419 57.763 56.400 -0.095 0.000 0.800 1010 E CB -0.271 29.470 29.700 0.068 0.000 0.746 1010 E HN 0.405 8.765 8.360 -0.000 0.000 0.452 1011 F N 1.805 121.640 119.950 -0.191 0.000 2.069 1011 F HA -0.185 4.341 4.527 -0.001 0.000 0.298 1011 F C 2.210 177.942 175.800 -0.114 0.000 1.113 1011 F CA 1.507 59.438 58.000 -0.114 0.000 1.214 1011 F CB -0.738 38.168 39.000 -0.157 0.000 0.978 1011 F HN -0.049 8.251 8.300 -0.000 0.000 0.474 1012 A N 0.455 122.988 122.820 -0.479 0.000 1.902 1012 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 1012 A C 2.151 179.463 177.584 -0.453 0.000 1.181 1012 A CA 1.703 53.394 52.037 -0.576 0.000 0.623 1012 A CB -1.180 17.510 19.000 -0.517 0.000 0.818 1012 A HN 0.422 8.572 8.150 -0.000 0.000 0.443 1013 L N 0.164 121.206 121.223 -0.303 0.000 2.017 1013 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 1013 L C 2.046 178.830 176.870 -0.144 0.000 1.073 1013 L CA 2.050 56.773 54.840 -0.195 0.000 0.745 1013 L CB -1.663 40.339 42.059 -0.094 0.000 0.894 1013 L HN 0.427 8.657 8.230 -0.000 0.000 0.432 1014 N N -0.581 118.063 118.700 -0.094 0.000 2.104 1014 N HA -0.169 4.571 4.740 -0.001 0.000 0.190 1014 N C 1.238 176.701 175.510 -0.079 0.000 1.024 1014 N CA 1.102 54.134 53.050 -0.030 0.000 0.853 1014 N CB 0.026 38.557 38.487 0.074 0.000 1.008 1014 N HN 0.091 8.471 8.380 -0.000 0.000 0.424 1015 K N 0.811 121.099 120.400 -0.186 0.000 2.417 1015 K HA 0.121 4.441 4.320 -0.001 0.000 0.196 1015 K C -0.080 176.328 176.600 -0.320 0.000 1.023 1015 K CA 0.160 56.311 56.287 -0.227 0.000 1.122 1015 K CB 0.479 32.814 32.500 -0.275 0.000 0.850 1015 K HN 0.164 8.414 8.250 -0.000 0.000 0.521 1016 Q N -1.206 118.412 119.800 -0.303 0.000 2.489 1016 Q HA -0.165 4.175 4.340 -0.001 0.000 0.259 1016 Q C 1.153 176.881 176.000 -0.454 0.000 0.934 1016 Q CA 0.696 56.319 55.803 -0.299 0.000 1.131 1016 Q CB -2.854 25.765 28.738 -0.198 0.000 1.472 1016 Q HN 0.143 8.413 8.270 -0.000 0.000 0.560 1017 V N -0.146 119.349 119.914 -0.699 0.000 2.453 1017 V HA -0.034 4.085 4.120 -0.001 0.000 0.247 1017 V C 1.404 176.976 176.094 -0.870 0.000 1.048 1017 V CA 1.537 63.236 62.300 -1.002 0.000 1.049 1017 V CB -0.011 30.804 31.823 -1.680 0.000 0.672 1017 V HN 0.423 8.613 8.190 -0.000 0.000 0.457 1018 L N 2.294 123.126 121.223 -0.652 0.000 2.272 1018 L HA 0.446 4.785 4.340 -0.001 0.000 0.289 1018 L C -0.350 176.218 176.870 -0.505 0.000 1.032 1018 L CA -0.311 54.249 54.840 -0.467 0.000 0.810 1018 L CB 0.758 42.633 42.059 -0.307 0.000 1.205 1018 L HN 0.323 8.553 8.230 -0.000 0.000 0.422 1019 K N 3.158 123.214 120.400 -0.573 0.000 2.508 1019 K HA 0.597 4.916 4.320 -0.001 0.000 0.260 1019 K C -1.676 174.575 176.600 -0.582 0.000 0.949 1019 K CA -0.803 55.190 56.287 -0.491 0.000 0.834 1019 K CB 1.904 34.296 32.500 -0.181 0.000 1.365 1019 K HN 0.162 8.412 8.250 -0.000 0.000 0.437 1020 F N 0.103 120.075 119.950 0.037 0.000 2.480 1020 F HA 0.764 5.291 4.527 -0.001 0.000 0.329 1020 F C 0.992 176.973 175.800 0.302 0.000 1.091 1020 F CA 0.335 58.393 58.000 0.097 0.000 0.972 1020 F CB 2.257 41.002 39.000 -0.425 0.000 1.150 1020 F HN 0.967 9.267 8.300 -0.000 0.000 0.467 1021 G N 1.714 110.877 108.800 0.606 0.000 2.591 1021 G HA2 0.311 4.271 3.960 -0.001 0.000 0.104 1021 G HA3 0.311 4.271 3.960 -0.001 0.000 0.104 1021 G C -1.762 173.157 174.900 0.032 0.000 1.097 1021 G CA -0.679 44.551 45.100 0.218 0.000 1.076 1021 G HN 0.530 8.820 8.290 -0.000 0.000 0.485 1022 E N 0.200 120.102 120.200 -0.496 0.000 2.235 1022 E HA 0.692 5.042 4.350 -0.001 0.000 0.252 1022 E C -1.757 174.421 176.600 -0.704 0.000 0.886 1022 E CA -0.664 55.524 56.400 -0.354 0.000 0.767 1022 E CB 0.593 30.169 29.700 -0.206 0.000 1.205 1022 E HN 0.317 8.677 8.360 -0.000 0.000 0.421 1023 F N 1.675 121.559 119.950 -0.111 0.000 2.529 1023 F HA 0.405 4.932 4.527 -0.001 0.000 0.320 1023 F C 0.264 175.967 175.800 -0.162 0.000 1.118 1023 F CA -1.001 56.878 58.000 -0.202 0.000 0.915 1023 F CB 2.340 41.145 39.000 -0.325 0.000 1.161 1023 F HN 0.087 8.387 8.300 -0.000 0.000 0.445 1024 T N 5.117 119.661 114.554 -0.017 0.000 2.739 1024 T HA 0.422 4.772 4.350 -0.001 0.000 0.298 1024 T C 0.499 175.191 174.700 -0.012 0.000 0.929 1024 T CA -0.399 61.692 62.100 -0.015 0.000 1.014 1024 T CB -0.168 68.680 68.868 -0.034 0.000 0.914 1024 T HN 0.310 8.550 8.240 -0.000 0.000 0.509 1025 L N 2.713 123.944 121.223 0.013 0.000 2.468 1025 L HA 0.247 4.586 4.340 -0.001 0.000 0.253 1025 L C 2.244 179.127 176.870 0.022 0.000 1.237 1025 L CA -0.481 54.382 54.840 0.038 0.000 0.823 1025 L CB 0.261 42.332 42.059 0.020 0.000 1.124 1025 L HN 0.585 8.815 8.230 -0.000 0.000 0.504 1026 K N 0.493 120.916 120.400 0.038 0.000 2.103 1026 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 1026 K C 1.981 178.588 176.600 0.012 0.000 1.048 1026 K CA 1.921 58.224 56.287 0.027 0.000 0.930 1026 K CB -0.042 32.480 32.500 0.037 0.000 0.716 1026 K HN 0.781 9.031 8.250 -0.000 0.000 0.444 1027 S N -1.193 114.507 115.700 0.001 0.000 2.447 1027 S HA 0.016 4.485 4.470 -0.001 0.000 0.233 1027 S C 1.499 176.091 174.600 -0.013 0.000 1.006 1027 S CA 0.952 59.145 58.200 -0.012 0.000 0.957 1027 S CB -0.079 63.098 63.200 -0.040 0.000 0.773 1027 S HN 0.613 8.923 8.310 -0.000 0.000 0.507 1028 G N 0.823 109.615 108.800 -0.013 0.000 2.184 1028 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.206 1028 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.206 1028 G C 0.115 175.012 174.900 -0.005 0.000 0.995 1028 G CA -0.286 44.812 45.100 -0.004 0.000 0.651 1028 G HN 0.583 8.873 8.290 -0.000 0.000 0.511 1029 R N 0.041 120.515 120.500 -0.044 0.000 2.641 1029 R HA 0.534 4.874 4.340 -0.001 0.000 0.269 1029 R C -0.345 175.983 176.300 0.046 0.000 1.074 1029 R CA -0.122 55.947 56.100 -0.052 0.000 1.133 1029 R CB 0.370 30.479 30.300 -0.318 0.000 1.029 1029 R HN -0.029 8.241 8.270 -0.000 0.000 0.488 1030 K N 0.929 121.417 120.400 0.146 0.000 2.268 1030 K HA 0.171 4.490 4.320 -0.001 0.000 0.276 1030 K C -0.523 176.191 176.600 0.191 0.000 1.080 1030 K CA -0.032 56.341 56.287 0.142 0.000 0.910 1030 K CB 1.681 34.265 32.500 0.140 0.000 1.163 1030 K HN 0.367 8.617 8.250 -0.000 0.000 0.465 1031 S N 3.510 119.207 115.700 -0.005 0.000 2.541 1031 S HA 0.433 4.903 4.470 -0.001 0.000 0.283 1031 S C -1.879 172.711 174.600 -0.016 0.000 1.196 1031 S CA -1.723 56.265 58.200 -0.354 0.000 1.062 1031 S CB 0.739 63.595 63.200 -0.574 0.000 1.009 1031 S HN 0.433 8.743 8.310 -0.000 0.000 0.502 1032 P HA 0.174 4.594 4.420 -0.000 0.000 0.257 1032 P C -0.907 176.707 177.300 0.524 0.000 1.281 1032 P CA 0.166 63.454 63.100 0.313 0.000 0.826 1032 P CB -0.545 31.352 31.700 0.329 0.000 1.237 1033 Y N -2.860 117.558 120.300 0.195 0.000 2.565 1033 Y HA 0.695 5.244 4.550 -0.001 0.000 0.330 1033 Y C -2.333 173.383 175.900 -0.306 0.000 1.150 1033 Y CA -1.936 56.135 58.100 -0.047 0.000 1.055 1033 Y CB 0.562 39.000 38.460 -0.037 0.000 1.337 1033 Y HN -0.242 8.038 8.280 -0.000 0.000 0.457 1034 F N 3.824 123.229 119.950 -0.908 0.000 2.588 1034 F HA 0.722 5.249 4.527 -0.001 0.000 0.310 1034 F C -2.206 173.311 175.800 -0.472 0.000 1.082 1034 F CA -1.947 55.491 58.000 -0.937 0.000 0.929 1034 F CB 1.910 39.972 39.000 -1.563 0.000 1.254 1034 F HN 0.586 8.886 8.300 -0.000 0.000 0.455 1035 F N 5.884 125.127 119.950 -1.178 0.000 2.434 1035 F HA 0.414 4.941 4.527 -0.001 0.000 0.355 1035 F C -0.739 174.504 175.800 -0.929 0.000 1.115 1035 F CA -0.559 56.971 58.000 -0.783 0.000 1.010 1035 F CB 0.571 39.291 39.000 -0.466 0.000 1.234 1035 F HN 0.412 8.712 8.300 -0.000 0.000 0.439 1036 N N 4.604 122.785 118.700 -0.866 0.000 2.707 1036 N HA 0.295 5.035 4.740 -0.001 0.000 0.235 1036 N C 0.532 175.642 175.510 -0.668 0.000 1.028 1036 N CA 0.195 52.924 53.050 -0.534 0.000 0.906 1036 N CB 1.459 39.836 38.487 -0.183 0.000 1.131 1036 N HN 0.726 9.106 8.380 -0.000 0.000 0.509 1037 A N 1.979 124.489 122.820 -0.516 0.000 2.125 1037 A HA 0.005 4.325 4.320 -0.001 0.000 0.219 1037 A C 1.828 179.304 177.584 -0.180 0.000 1.156 1037 A CA 1.412 53.245 52.037 -0.341 0.000 0.671 1037 A CB -0.472 18.620 19.000 0.152 0.000 0.794 1037 A HN 0.593 8.743 8.150 -0.000 0.000 0.459 1038 G N -0.971 107.732 108.800 -0.162 0.000 2.559 1038 G HA2 0.057 4.016 3.960 -0.001 0.000 0.216 1038 G HA3 0.057 4.016 3.960 -0.001 0.000 0.216 1038 G C 1.038 175.861 174.900 -0.130 0.000 1.126 1038 G CA 0.532 45.583 45.100 -0.081 0.000 0.778 1038 G HN 0.380 8.670 8.290 -0.000 0.000 0.543 1039 L N -0.108 120.934 121.223 -0.302 0.000 2.554 1039 L HA 0.360 4.700 4.340 -0.001 0.000 0.226 1039 L C 0.177 176.889 176.870 -0.263 0.000 1.137 1039 L CA -0.140 54.510 54.840 -0.317 0.000 0.863 1039 L CB -0.429 41.360 42.059 -0.450 0.000 0.985 1039 L HN 0.031 8.261 8.230 -0.000 0.000 0.451 1040 F N 1.032 120.900 119.950 -0.136 0.000 2.462 1040 F HA 0.205 4.731 4.527 -0.001 0.000 0.354 1040 F C 0.900 176.698 175.800 -0.004 0.000 1.192 1040 F CA -0.709 57.251 58.000 -0.068 0.000 1.173 1040 F CB -0.490 38.511 39.000 0.003 0.000 1.402 1040 F HN 0.239 8.539 8.300 -0.000 0.000 0.595 1041 N N -0.943 117.852 118.700 0.158 0.000 2.305 1041 N HA 0.089 4.829 4.740 -0.001 0.000 0.248 1041 N C -0.132 175.429 175.510 0.084 0.000 1.290 1041 N CA -0.269 52.839 53.050 0.097 0.000 0.873 1041 N CB 0.035 38.545 38.487 0.038 0.000 1.261 1041 N HN 0.304 8.684 8.380 -0.000 0.000 0.504 1042 T N -5.514 109.108 114.554 0.113 0.000 2.927 1042 T HA 0.633 4.982 4.350 -0.001 0.000 0.286 1042 T C 1.265 176.020 174.700 0.091 0.000 1.040 1042 T CA -0.346 61.807 62.100 0.087 0.000 1.010 1042 T CB 1.372 70.293 68.868 0.088 0.000 1.177 1042 T HN -0.028 8.212 8.240 -0.000 0.000 0.546 1043 G N -0.056 108.783 108.800 0.065 0.000 2.440 1043 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 1043 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 1043 G C 1.520 176.457 174.900 0.061 0.000 1.154 1043 G CA 0.778 45.909 45.100 0.053 0.000 0.767 1043 G HN 0.818 9.108 8.290 -0.000 0.000 0.552 1044 R N 0.185 120.730 120.500 0.074 0.000 2.092 1044 R HA -0.055 4.285 4.340 -0.001 0.000 0.231 1044 R C 2.065 178.437 176.300 0.121 0.000 1.119 1044 R CA 1.467 57.610 56.100 0.072 0.000 0.970 1044 R CB -0.164 30.181 30.300 0.075 0.000 0.864 1044 R HN 0.210 8.480 8.270 -0.000 0.000 0.440 1045 D N 0.610 121.139 120.400 0.216 0.000 2.104 1045 D HA -0.179 4.461 4.640 -0.001 0.000 0.194 1045 D C 1.838 178.286 176.300 0.247 0.000 0.994 1045 D CA 0.928 55.158 54.000 0.383 0.000 0.830 1045 D CB -0.182 40.857 40.800 0.399 0.000 0.959 1045 D HN 0.136 8.506 8.370 -0.000 0.000 0.452 1046 L N 1.031 122.349 121.223 0.157 0.000 2.046 1046 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 1046 L C 2.389 179.294 176.870 0.059 0.000 1.077 1046 L CA 1.344 56.245 54.840 0.101 0.000 0.747 1046 L CB -1.159 40.942 42.059 0.071 0.000 0.896 1046 L HN -0.042 8.188 8.230 -0.000 0.000 0.432 1047 A N -0.883 121.957 122.820 0.035 0.000 1.858 1047 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 1047 A C 2.323 179.868 177.584 -0.065 0.000 1.190 1047 A CA 1.802 53.838 52.037 -0.002 0.000 0.617 1047 A CB -0.810 18.184 19.000 -0.010 0.000 0.827 1047 A HN 0.385 8.535 8.150 -0.000 0.000 0.443 1048 L N -1.179 119.958 121.223 -0.144 0.000 2.046 1048 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 1048 L C 2.571 179.329 176.870 -0.187 0.000 1.077 1048 L CA 1.164 55.780 54.840 -0.375 0.000 0.747 1048 L CB -0.535 41.090 42.059 -0.724 0.000 0.896 1048 L HN 0.457 8.687 8.230 -0.000 0.000 0.432 1049 L N 0.325 121.594 121.223 0.077 0.000 2.042 1049 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 1049 L C 2.353 179.433 176.870 0.350 0.000 1.076 1049 L CA 2.227 57.267 54.840 0.332 0.000 0.749 1049 L CB -1.105 41.074 42.059 0.201 0.000 0.893 1049 L HN 0.170 8.400 8.230 -0.000 0.000 0.432 1050 G N -1.190 107.711 108.800 0.169 0.000 2.422 1050 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.218 1050 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.218 1050 G C 1.762 176.731 174.900 0.114 0.000 1.146 1050 G CA 0.743 45.925 45.100 0.135 0.000 0.769 1050 G HN 0.389 8.679 8.290 -0.000 0.000 0.547 1051 R N -0.806 119.685 120.500 -0.015 0.000 2.081 1051 R HA 0.009 4.349 4.340 -0.001 0.000 0.235 1051 R C 2.324 178.518 176.300 -0.177 0.000 1.131 1051 R CA 1.150 57.174 56.100 -0.126 0.000 0.960 1051 R CB -0.404 29.647 30.300 -0.416 0.000 0.856 1051 R HN 0.377 8.647 8.270 -0.000 0.000 0.436 1052 F N -0.756 119.193 119.950 -0.001 0.000 2.146 1052 F HA -0.140 4.386 4.527 -0.001 0.000 0.298 1052 F C 1.943 177.628 175.800 -0.192 0.000 1.096 1052 F CA 1.001 58.952 58.000 -0.082 0.000 1.275 1052 F CB -0.738 38.243 39.000 -0.031 0.000 1.008 1052 F HN -0.025 8.275 8.300 -0.000 0.000 0.480 1053 Y N -0.133 120.181 120.300 0.023 0.000 2.181 1053 Y HA -0.224 4.325 4.550 -0.001 0.000 0.288 1053 Y C 2.544 178.377 175.900 -0.112 0.000 1.146 1053 Y CA 1.375 59.438 58.100 -0.063 0.000 1.164 1053 Y CB -0.885 37.555 38.460 -0.034 0.000 0.982 1053 Y HN 0.020 8.300 8.280 -0.000 0.000 0.515 1054 A N -0.015 122.844 122.820 0.065 0.000 1.902 1054 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 1054 A C 2.142 179.559 177.584 -0.279 0.000 1.181 1054 A CA 1.766 53.751 52.037 -0.086 0.000 0.623 1054 A CB -0.502 18.498 19.000 -0.001 0.000 0.818 1054 A HN 0.376 8.526 8.150 -0.000 0.000 0.443 1055 E N -0.130 119.921 120.200 -0.247 0.000 2.058 1055 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 1055 E C 2.377 178.617 176.600 -0.598 0.000 0.997 1055 E CA 1.321 57.453 56.400 -0.447 0.000 0.801 1055 E CB -0.500 28.832 29.700 -0.613 0.000 0.746 1055 E HN 0.584 8.944 8.360 -0.000 0.000 0.450 1056 A N 1.067 123.605 122.820 -0.470 0.000 1.933 1056 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 1056 A C 2.359 179.859 177.584 -0.139 0.000 1.175 1056 A CA 0.978 52.864 52.037 -0.252 0.000 0.628 1056 A CB -0.616 18.293 19.000 -0.151 0.000 0.814 1056 A HN 0.161 8.311 8.150 -0.000 0.000 0.444 1057 L N -0.660 120.484 121.223 -0.133 0.000 2.056 1057 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 1057 L C 2.532 179.374 176.870 -0.046 0.000 1.078 1057 L CA 1.006 55.799 54.840 -0.078 0.000 0.749 1057 L CB -0.350 41.674 42.059 -0.058 0.000 0.901 1057 L HN 0.258 8.488 8.230 -0.000 0.000 0.433 1058 V N -0.173 119.661 119.914 -0.134 0.000 2.427 1058 V HA -0.307 3.813 4.120 -0.001 0.000 0.248 1058 V C 2.117 178.181 176.094 -0.050 0.000 1.051 1058 V CA 2.049 64.282 62.300 -0.112 0.000 1.048 1058 V CB -0.472 31.205 31.823 -0.244 0.000 0.666 1058 V HN 0.505 8.695 8.190 -0.000 0.000 0.456 1059 D N 0.609 120.966 120.400 -0.073 0.000 2.097 1059 D HA -0.194 4.445 4.640 -0.001 0.000 0.195 1059 D C 2.353 178.676 176.300 0.038 0.000 0.989 1059 D CA 1.759 55.767 54.000 0.013 0.000 0.827 1059 D CB -0.166 40.681 40.800 0.078 0.000 0.966 1059 D HN 0.494 8.864 8.370 -0.000 0.000 0.456 1060 S N -0.978 114.737 115.700 0.025 0.000 2.400 1060 S HA -0.028 4.441 4.470 -0.001 0.000 0.232 1060 S C 2.082 176.707 174.600 0.041 0.000 1.025 1060 S CA 1.651 59.870 58.200 0.033 0.000 0.993 1060 S CB -0.789 62.421 63.200 0.017 0.000 0.808 1060 S HN 0.665 8.975 8.310 -0.000 0.000 0.478 1061 G N 1.016 109.844 108.800 0.047 0.000 2.184 1061 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.264 1061 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.264 1061 G C 0.114 175.063 174.900 0.081 0.000 0.975 1061 G CA 0.311 45.446 45.100 0.057 0.000 0.642 1061 G HN 0.838 9.128 8.290 -0.000 0.000 0.536 1062 I N 1.292 121.921 120.570 0.098 0.000 2.648 1062 I HA 0.273 4.442 4.170 -0.001 0.000 0.284 1062 I C 0.542 176.804 176.117 0.241 0.000 1.153 1062 I CA -0.232 61.143 61.300 0.125 0.000 1.426 1062 I CB 0.353 38.403 38.000 0.083 0.000 1.381 1062 I HN 0.267 8.477 8.210 -0.000 0.000 0.571 1063 E N 7.544 127.858 120.200 0.189 0.000 2.301 1063 E HA 0.430 4.780 4.350 -0.001 0.000 0.275 1063 E C -1.281 175.503 176.600 0.305 0.000 1.030 1063 E CA -0.341 56.165 56.400 0.176 0.000 0.852 1063 E CB 1.370 31.106 29.700 0.060 0.000 1.060 1063 E HN 0.464 8.824 8.360 -0.000 0.000 0.401 1064 F N -0.902 119.050 119.950 0.003 0.000 2.686 1064 F HA 0.406 4.933 4.527 -0.001 0.000 0.311 1064 F C -0.457 175.347 175.800 0.007 0.000 1.128 1064 F CA -1.172 56.832 58.000 0.007 0.000 0.946 1064 F CB 1.092 40.099 39.000 0.012 0.000 1.336 1064 F HN 0.178 8.478 8.300 -0.000 0.000 0.457 1065 D N 0.969 121.414 120.400 0.076 0.000 2.469 1065 D HA 0.280 4.920 4.640 -0.001 0.000 0.213 1065 D C -0.709 175.628 176.300 0.061 0.000 1.135 1065 D CA 0.552 54.539 54.000 -0.021 0.000 0.834 1065 D CB 1.857 42.656 40.800 -0.001 0.000 1.009 1065 D HN 0.419 8.790 8.370 -0.000 0.000 0.507 1066 L N 0.758 122.113 121.223 0.221 0.000 2.545 1066 L HA 0.372 4.712 4.340 -0.001 0.000 0.258 1066 L C -2.269 174.801 176.870 0.333 0.000 0.942 1066 L CA -0.782 54.193 54.840 0.224 0.000 0.855 1066 L CB 2.415 44.550 42.059 0.127 0.000 1.374 1066 L HN -0.280 7.950 8.230 -0.000 0.000 0.411 1067 L N 4.282 125.686 121.223 0.302 0.000 2.280 1067 L HA 0.549 4.889 4.340 -0.001 0.000 0.287 1067 L C -1.302 175.711 176.870 0.238 0.000 1.023 1067 L CA 0.065 55.055 54.840 0.249 0.000 0.819 1067 L CB 0.938 43.148 42.059 0.252 0.000 1.212 1067 L HN 0.575 8.805 8.230 -0.000 0.000 0.420 1068 F N 3.539 123.503 119.950 0.023 0.000 2.426 1068 F HA 0.742 5.269 4.527 -0.000 0.000 0.348 1068 F C 0.468 176.262 175.800 -0.010 0.000 1.124 1068 F CA -0.732 57.262 58.000 -0.011 0.000 1.008 1068 F CB 1.645 40.617 39.000 -0.047 0.000 1.139 1068 F HN 0.486 8.786 8.300 -0.000 0.000 0.452 1069 G N 7.361 115.777 108.800 -0.640 0.000 2.522 1069 G HA2 0.461 4.421 3.960 -0.001 0.000 0.318 1069 G HA3 0.461 4.421 3.960 -0.001 0.000 0.318 1069 G C -3.093 171.342 174.900 -0.775 0.000 1.192 1069 G CA -1.652 43.141 45.100 -0.513 0.000 0.988 1069 G HN 0.435 8.725 8.290 -0.000 0.000 0.480 1070 P HA 0.268 4.688 4.420 -0.000 0.000 0.271 1070 P C 0.315 177.450 177.300 -0.275 0.000 1.216 1070 P CA -0.061 62.782 63.100 -0.428 0.000 0.776 1070 P CB 1.414 33.049 31.700 -0.108 0.000 0.881 1071 A N 3.249 125.908 122.820 -0.268 0.000 2.511 1071 A HA 0.079 4.399 4.320 -0.001 0.000 0.242 1071 A C 0.165 177.654 177.584 -0.159 0.000 1.069 1071 A CA 0.325 52.126 52.037 -0.394 0.000 0.763 1071 A CB -0.532 18.057 19.000 -0.685 0.000 1.001 1071 A HN 0.599 8.749 8.150 -0.000 0.000 0.498 1072 Y N 1.062 121.327 120.300 -0.058 0.000 2.558 1072 Y HA 0.090 4.640 4.550 -0.001 0.000 0.273 1072 Y C 2.116 177.944 175.900 -0.121 0.000 1.100 1072 Y CA 0.804 58.845 58.100 -0.098 0.000 1.276 1072 Y CB 0.142 38.561 38.460 -0.068 0.000 1.196 1072 Y HN 0.703 8.983 8.280 -0.000 0.000 0.527 1073 K N 0.481 120.926 120.400 0.076 0.000 2.211 1073 K HA -0.094 4.225 4.320 -0.001 0.000 0.204 1073 K C 2.093 178.669 176.600 -0.040 0.000 1.047 1073 K CA 1.388 57.688 56.287 0.022 0.000 0.935 1073 K CB -0.692 31.830 32.500 0.037 0.000 0.728 1073 K HN 0.356 8.606 8.250 -0.000 0.000 0.452 1074 G N -0.279 108.465 108.800 -0.093 0.000 2.572 1074 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.216 1074 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.216 1074 G C 1.370 176.147 174.900 -0.206 0.000 1.133 1074 G CA 0.335 45.344 45.100 -0.150 0.000 0.791 1074 G HN 0.246 8.536 8.290 -0.000 0.000 0.538 1075 I N 1.663 122.078 120.570 -0.258 0.000 2.142 1075 I HA -0.096 4.074 4.170 -0.001 0.000 0.240 1075 I C 0.160 176.149 176.117 -0.213 0.000 1.078 1075 I CA 1.061 62.141 61.300 -0.366 0.000 1.343 1075 I CB -0.897 36.705 38.000 -0.662 0.000 1.046 1075 I HN 0.108 8.318 8.210 -0.000 0.000 0.405 1076 P HA -0.125 4.295 4.420 -0.000 0.000 0.217 1076 P C 1.839 179.081 177.300 -0.098 0.000 1.151 1076 P CA 1.443 64.486 63.100 -0.096 0.000 0.828 1076 P CB -0.094 31.575 31.700 -0.051 0.000 0.788 1077 I N 0.707 121.199 120.570 -0.130 0.000 2.179 1077 I HA -0.160 4.009 4.170 -0.001 0.000 0.242 1077 I C 2.589 178.557 176.117 -0.248 0.000 1.088 1077 I CA 1.441 62.603 61.300 -0.230 0.000 1.357 1077 I CB -2.122 35.689 38.000 -0.314 0.000 1.051 1077 I HN -0.071 8.139 8.210 -0.000 0.000 0.409 1078 A N 0.482 123.202 122.820 -0.166 0.000 1.933 1078 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 1078 A C 2.447 180.023 177.584 -0.015 0.000 1.175 1078 A CA 2.233 54.229 52.037 -0.069 0.000 0.628 1078 A CB -1.023 17.985 19.000 0.013 0.000 0.814 1078 A HN 0.427 8.577 8.150 -0.000 0.000 0.444 1079 T N -1.031 113.504 114.554 -0.031 0.000 2.674 1079 T HA -0.135 4.215 4.350 -0.001 0.000 0.265 1079 T C 2.126 176.751 174.700 -0.125 0.000 1.039 1079 T CA 1.997 64.026 62.100 -0.119 0.000 1.150 1079 T CB -0.560 68.249 68.868 -0.098 0.000 0.864 1079 T HN 0.567 8.807 8.240 -0.000 0.000 0.427 1080 T N 0.883 115.382 114.554 -0.091 0.000 2.867 1080 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 1080 T C 2.077 176.748 174.700 -0.049 0.000 1.057 1080 T CA 1.675 63.738 62.100 -0.062 0.000 1.136 1080 T CB -0.681 68.170 68.868 -0.028 0.000 0.874 1080 T HN 0.365 8.605 8.240 -0.000 0.000 0.466 1081 T N 1.437 115.947 114.554 -0.074 0.000 2.777 1081 T HA 0.103 4.452 4.350 -0.001 0.000 0.266 1081 T C 2.259 176.953 174.700 -0.009 0.000 1.040 1081 T CA 1.147 63.224 62.100 -0.037 0.000 1.141 1081 T CB -0.613 68.191 68.868 -0.106 0.000 0.868 1081 T HN 0.478 8.718 8.240 -0.000 0.000 0.444 1082 A N 0.961 123.761 122.820 -0.032 0.000 1.902 1082 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 1082 A C 2.561 180.106 177.584 -0.064 0.000 1.181 1082 A CA 1.293 53.312 52.037 -0.029 0.000 0.623 1082 A CB -0.998 17.952 19.000 -0.083 0.000 0.818 1082 A HN 0.352 8.502 8.150 -0.000 0.000 0.443 1083 V N -0.209 119.647 119.914 -0.096 0.000 2.343 1083 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 1083 V C 3.050 179.066 176.094 -0.130 0.000 1.051 1083 V CA 1.929 64.160 62.300 -0.114 0.000 1.036 1083 V CB -1.163 30.595 31.823 -0.107 0.000 0.654 1083 V HN 0.618 8.808 8.190 -0.000 0.000 0.451 1084 A N -0.419 122.366 122.820 -0.059 0.000 1.902 1084 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 1084 A C 2.220 179.833 177.584 0.048 0.000 1.181 1084 A CA 1.666 53.703 52.037 0.000 0.000 0.623 1084 A CB -0.513 18.589 19.000 0.169 0.000 0.818 1084 A HN 0.493 8.643 8.150 -0.000 0.000 0.443 1085 L N -0.877 120.389 121.223 0.071 0.000 2.046 1085 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 1085 L C 3.102 180.003 176.870 0.052 0.000 1.077 1085 L CA 1.184 56.089 54.840 0.110 0.000 0.747 1085 L CB -0.482 41.612 42.059 0.058 0.000 0.896 1085 L HN 0.458 8.688 8.230 -0.000 0.000 0.432 1086 A N -0.655 122.141 122.820 -0.040 0.000 1.897 1086 A HA -0.145 4.174 4.320 -0.001 0.000 0.215 1086 A C 2.211 179.714 177.584 -0.134 0.000 1.181 1086 A CA 1.202 53.195 52.037 -0.073 0.000 0.620 1086 A CB -0.259 18.691 19.000 -0.085 0.000 0.821 1086 A HN 0.340 8.490 8.150 -0.000 0.000 0.443 1087 E N -0.416 119.619 120.200 -0.275 0.000 2.072 1087 E HA -0.119 4.230 4.350 -0.001 0.000 0.190 1087 E C 1.482 177.820 176.600 -0.437 0.000 0.982 1087 E CA 1.178 57.318 56.400 -0.433 0.000 0.803 1087 E CB -0.298 28.978 29.700 -0.706 0.000 0.755 1087 E HN 0.783 9.143 8.360 -0.000 0.000 0.453 1088 H N -1.469 117.548 119.070 -0.088 0.000 2.648 1088 H HA 0.190 4.745 4.556 -0.001 0.000 0.265 1088 H C 0.690 175.740 175.328 -0.464 0.000 0.961 1088 H CA 0.527 56.416 56.048 -0.265 0.000 1.185 1088 H CB 0.317 29.876 29.762 -0.338 0.000 1.449 1088 H HN 0.271 8.551 8.280 -0.000 0.000 0.523 1089 H N -0.598 118.480 119.070 0.012 0.000 3.233 1089 H HA 0.102 4.658 4.556 -0.001 0.000 0.263 1089 H C -0.096 175.219 175.328 -0.021 0.000 1.168 1089 H CA 0.111 56.160 56.048 0.002 0.000 1.159 1089 H CB 1.017 30.782 29.762 0.005 0.000 1.593 1089 H HN 0.047 8.327 8.280 -0.000 0.000 0.580 1090 D N 1.414 121.839 120.400 0.042 0.000 2.723 1090 D HA -0.189 4.451 4.640 -0.001 0.000 0.236 1090 D C -0.857 175.449 176.300 0.009 0.000 1.138 1090 D CA 0.641 54.644 54.000 0.005 0.000 0.676 1090 D CB -0.801 39.997 40.800 -0.003 0.000 1.069 1090 D HN 0.427 8.797 8.370 -0.000 0.000 0.430 1091 K N 1.038 121.448 120.400 0.017 0.000 2.521 1091 K HA 0.263 4.583 4.320 -0.001 0.000 0.248 1091 K C -0.978 175.605 176.600 -0.029 0.000 0.978 1091 K CA -0.894 55.384 56.287 -0.015 0.000 0.947 1091 K CB 1.247 33.740 32.500 -0.012 0.000 1.165 1091 K HN 0.029 8.279 8.250 -0.000 0.000 0.445 1092 D N 4.120 124.495 120.400 -0.041 0.000 2.422 1092 D HA 0.185 4.824 4.640 -0.001 0.000 0.227 1092 D C -0.969 175.307 176.300 -0.040 0.000 1.190 1092 D CA -0.270 53.707 54.000 -0.038 0.000 0.905 1092 D CB 0.313 41.092 40.800 -0.036 0.000 1.034 1092 D HN 0.274 8.644 8.370 -0.000 0.000 0.507 1093 L N 5.346 126.557 121.223 -0.021 0.000 2.325 1093 L HA 0.507 4.847 4.340 -0.001 0.000 0.278 1093 L C -1.777 175.131 176.870 0.063 0.000 1.023 1093 L CA -1.661 53.178 54.840 -0.001 0.000 0.811 1093 L CB 1.810 43.881 42.059 0.020 0.000 1.249 1093 L HN 0.323 8.553 8.230 -0.000 0.000 0.431 1094 P HA 0.153 4.573 4.420 -0.000 0.000 0.275 1094 P C -1.619 175.824 177.300 0.238 0.000 1.228 1094 P CA -0.137 63.045 63.100 0.137 0.000 0.786 1094 P CB 0.732 32.482 31.700 0.083 0.000 0.927 1095 Y N 1.230 121.564 120.300 0.057 0.000 2.633 1095 Y HA 0.733 5.282 4.550 -0.001 0.000 0.339 1095 Y C -1.229 174.719 175.900 0.080 0.000 1.045 1095 Y CA -1.919 56.231 58.100 0.083 0.000 1.098 1095 Y CB 1.024 39.529 38.460 0.075 0.000 1.296 1095 Y HN 0.771 9.051 8.280 -0.000 0.000 0.494 1096 C N 3.662 122.773 119.300 -0.315 0.000 3.284 1096 C HA 0.839 5.298 4.460 -0.001 0.000 0.338 1096 C C -1.997 172.820 174.990 -0.289 0.000 1.237 1096 C CA -0.889 57.876 59.018 -0.422 0.000 1.276 1096 C CB 0.168 27.871 27.740 -0.062 0.000 1.601 1096 C HN 1.177 9.407 8.230 -0.000 0.000 0.494 1097 F N 3.941 123.629 119.950 -0.437 0.000 2.668 1097 F HA 0.699 5.225 4.527 -0.001 0.000 0.309 1097 F C -0.761 174.895 175.800 -0.241 0.000 1.117 1097 F CA -0.779 56.915 58.000 -0.510 0.000 0.951 1097 F CB 0.933 39.644 39.000 -0.482 0.000 1.323 1097 F HN 0.765 9.065 8.300 -0.000 0.000 0.451 1098 N N 1.363 120.071 118.700 0.012 0.000 2.482 1098 N HA 0.495 5.235 4.740 -0.001 0.000 0.279 1098 N C -1.254 174.259 175.510 0.004 0.000 1.182 1098 N CA -0.782 52.281 53.050 0.021 0.000 0.969 1098 N CB 1.717 40.288 38.487 0.141 0.000 1.201 1098 N HN 0.823 9.203 8.380 -0.000 0.000 0.523 1099 R N 0.196 120.673 120.500 -0.039 0.000 2.540 1099 R HA 0.271 4.611 4.340 -0.001 0.000 0.287 1099 R C 0.964 177.242 176.300 -0.037 0.000 0.980 1099 R CA -0.851 55.225 56.100 -0.040 0.000 0.966 1099 R CB 1.296 31.578 30.300 -0.029 0.000 1.106 1099 R HN 0.480 8.750 8.270 -0.000 0.000 0.480 1100 K N 1.225 121.599 120.400 -0.043 0.000 2.211 1100 K HA -0.067 4.252 4.320 -0.001 0.000 0.203 1100 K C 0.147 176.767 176.600 0.033 0.000 1.050 1100 K CA 1.208 57.499 56.287 0.008 0.000 0.945 1100 K CB 0.133 32.676 32.500 0.072 0.000 0.732 1100 K HN 0.592 8.842 8.250 -0.000 0.000 0.451 1101 E N -1.196 119.024 120.200 0.033 0.000 2.366 1101 E HA 0.452 4.802 4.350 -0.001 0.000 0.278 1101 E C -1.625 174.985 176.600 0.016 0.000 0.923 1101 E CA -0.542 55.877 56.400 0.031 0.000 0.761 1101 E CB 1.885 31.611 29.700 0.044 0.000 1.231 1101 E HN 0.040 8.400 8.360 -0.000 0.000 0.443 1102 A N 3.078 125.904 122.820 0.009 0.000 2.531 1102 A HA 0.109 4.429 4.320 -0.001 0.000 0.236 1102 A C 0.001 177.575 177.584 -0.018 0.000 1.062 1102 A CA 0.240 52.272 52.037 -0.007 0.000 0.760 1102 A CB 0.235 19.233 19.000 -0.004 0.000 0.995 1102 A HN 0.541 8.691 8.150 -0.000 0.000 0.501 1103 K N 1.358 121.724 120.400 -0.055 0.000 2.312 1103 K HA 0.110 4.430 4.320 -0.001 0.000 0.287 1103 K C -0.685 175.853 176.600 -0.102 0.000 1.062 1103 K CA -0.398 55.820 56.287 -0.115 0.000 0.934 1103 K CB 0.403 32.787 32.500 -0.194 0.000 1.027 1103 K HN 0.654 8.904 8.250 -0.000 0.000 0.478 1104 D N 3.857 124.236 120.400 -0.035 0.000 2.324 1104 D HA -0.013 4.627 4.640 -0.001 0.000 0.235 1104 D C 0.150 176.533 176.300 0.139 0.000 1.095 1104 D CA 0.594 54.635 54.000 0.067 0.000 0.871 1104 D CB -0.029 40.849 40.800 0.130 0.000 0.906 1104 D HN 0.631 9.001 8.370 -0.000 0.000 0.522 1105 H N -3.712 115.363 119.070 0.009 0.000 3.001 1105 H HA 0.393 4.949 4.556 -0.001 0.000 0.266 1105 H C 0.928 176.260 175.328 0.006 0.000 1.532 1105 H CA -0.318 55.734 56.048 0.008 0.000 1.187 1105 H CB 0.222 29.990 29.762 0.010 0.000 1.881 1105 H HN 0.009 8.289 8.280 -0.000 0.000 0.643 1106 G N 0.835 109.699 108.800 0.106 0.000 2.651 1106 G HA2 -0.419 3.541 3.960 -0.001 0.000 0.315 1106 G HA3 -0.419 3.541 3.960 -0.001 0.000 0.315 1106 G C 0.961 175.846 174.900 -0.025 0.000 1.258 1106 G CA 1.550 46.668 45.100 0.029 0.000 1.002 1106 G HN 1.040 9.330 8.290 -0.000 0.000 0.551 1107 E N 2.699 122.864 120.200 -0.058 0.000 2.435 1107 E HA 0.292 4.642 4.350 -0.001 0.000 0.195 1107 E C 1.531 178.092 176.600 -0.064 0.000 1.029 1107 E CA 1.645 58.015 56.400 -0.050 0.000 0.865 1107 E CB -0.556 29.114 29.700 -0.050 0.000 0.833 1107 E HN 2.383 10.743 8.360 -0.000 0.000 0.510 1108 G N 0.885 109.626 108.800 -0.100 0.000 2.641 1108 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.254 1108 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.254 1108 G C 0.570 175.424 174.900 -0.077 0.000 1.315 1108 G CA 0.734 45.781 45.100 -0.088 0.000 0.907 1108 G HN 1.227 9.517 8.290 -0.000 0.000 0.572 1109 G N -3.187 105.581 108.800 -0.053 0.000 2.796 1109 G HA2 0.277 4.236 3.960 -0.001 0.000 0.571 1109 G HA3 0.277 4.236 3.960 -0.001 0.000 0.571 1109 G C 0.547 175.419 174.900 -0.047 0.000 1.370 1109 G CA 0.611 45.686 45.100 -0.043 0.000 0.856 1109 G HN 2.098 10.388 8.290 -0.000 0.000 0.538 1110 S N -0.626 115.055 115.700 -0.033 0.000 2.701 1110 S HA 0.436 4.906 4.470 -0.001 0.000 0.242 1110 S C -0.062 174.492 174.600 -0.076 0.000 1.025 1110 S CA 0.046 58.226 58.200 -0.033 0.000 1.016 1110 S CB 0.359 63.566 63.200 0.012 0.000 0.977 1110 S HN 0.624 8.934 8.310 -0.000 0.000 0.546 1111 L N 1.678 122.825 121.223 -0.127 0.000 2.381 1111 L HA 0.651 4.990 4.340 -0.001 0.000 0.268 1111 L C -0.907 175.757 176.870 -0.344 0.000 0.997 1111 L CA -0.572 54.132 54.840 -0.227 0.000 0.818 1111 L CB 2.020 43.955 42.059 -0.207 0.000 1.310 1111 L HN -0.083 8.147 8.230 -0.000 0.000 0.416 1112 V N 2.831 122.372 119.914 -0.622 0.000 2.604 1112 V HA 0.946 5.066 4.120 -0.001 0.000 0.305 1112 V C 0.540 176.190 176.094 -0.739 0.000 1.043 1112 V CA 0.328 62.175 62.300 -0.755 0.000 0.888 1112 V CB 0.801 31.844 31.823 -1.299 0.000 0.995 1112 V HN 1.023 9.213 8.190 -0.000 0.000 0.429 1113 G N 4.445 112.996 108.800 -0.416 0.000 2.709 1113 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.228 1113 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.228 1113 G C 0.096 174.900 174.900 -0.160 0.000 1.215 1113 G CA -0.010 44.916 45.100 -0.290 0.000 1.003 1113 G HN 0.861 9.151 8.290 -0.000 0.000 0.584 1114 S N 0.619 116.234 115.700 -0.141 0.000 2.669 1114 S HA 0.723 5.193 4.470 -0.001 0.000 0.270 1114 S C 0.765 175.309 174.600 -0.094 0.000 1.225 1114 S CA 0.317 58.478 58.200 -0.064 0.000 0.991 1114 S CB 1.363 64.562 63.200 -0.000 0.000 0.987 1114 S HN 1.837 10.146 8.310 -0.000 0.000 0.552 1115 A N 0.989 123.773 122.820 -0.060 0.000 2.425 1115 A HA 0.416 4.735 4.320 -0.001 0.000 0.249 1115 A C -0.185 177.349 177.584 -0.084 0.000 1.084 1115 A CA -0.391 51.607 52.037 -0.065 0.000 0.781 1115 A CB -0.178 18.806 19.000 -0.027 0.000 1.019 1115 A HN 0.800 8.950 8.150 -0.000 0.000 0.490 1116 L N 2.831 123.965 121.223 -0.148 0.000 2.363 1116 L HA 0.291 4.630 4.340 -0.001 0.000 0.286 1116 L C 0.308 177.128 176.870 -0.083 0.000 1.106 1116 L CA 0.022 54.745 54.840 -0.195 0.000 0.859 1116 L CB -0.231 41.546 42.059 -0.469 0.000 1.223 1116 L HN 0.980 9.210 8.230 -0.000 0.000 0.446 1117 Q N 3.550 123.320 119.800 -0.051 0.000 2.534 1117 Q HA 0.734 5.074 4.340 -0.001 0.000 0.290 1117 Q C -0.123 175.872 176.000 -0.009 0.000 0.991 1117 Q CA -0.307 55.484 55.803 -0.019 0.000 0.783 1117 Q CB 2.007 30.740 28.738 -0.007 0.000 1.470 1117 Q HN 0.580 8.850 8.270 -0.000 0.000 0.406 1118 G N 1.206 110.005 108.800 -0.002 0.000 2.593 1118 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.237 1118 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.237 1118 G C -0.977 173.935 174.900 0.020 0.000 1.312 1118 G CA -0.253 44.852 45.100 0.009 0.000 0.896 1118 G HN 0.717 9.007 8.290 -0.000 0.000 0.574 1119 R N -0.138 120.388 120.500 0.044 0.000 2.272 1119 R HA 0.425 4.765 4.340 -0.001 0.000 0.334 1119 R C 0.178 176.546 176.300 0.112 0.000 1.117 1119 R CA -0.396 55.746 56.100 0.071 0.000 0.966 1119 R CB 0.746 31.101 30.300 0.091 0.000 1.049 1119 R HN 0.414 8.684 8.270 -0.000 0.000 0.477 1120 V N 4.503 124.455 119.914 0.063 0.000 2.583 1120 V HA 0.144 4.263 4.120 -0.001 0.000 0.287 1120 V C 0.228 176.356 176.094 0.056 0.000 1.051 1120 V CA -0.478 61.863 62.300 0.068 0.000 1.010 1120 V CB 1.253 33.060 31.823 -0.026 0.000 0.988 1120 V HN 0.612 8.802 8.190 -0.000 0.000 0.478 1121 M N 6.333 125.966 119.600 0.055 0.000 2.047 1121 M HA 0.431 4.911 4.480 -0.001 0.000 0.342 1121 M C -0.990 175.293 176.300 -0.028 0.000 1.058 1121 M CA -0.197 55.031 55.300 -0.120 0.000 0.991 1121 M CB 0.716 32.978 32.600 -0.563 0.000 1.474 1121 M HN 0.612 8.902 8.290 -0.000 0.000 0.419 1122 L N 5.790 127.014 121.223 0.001 0.000 2.360 1122 L HA 0.493 4.833 4.340 -0.001 0.000 0.276 1122 L C -1.104 175.767 176.870 0.003 0.000 1.121 1122 L CA -0.495 54.388 54.840 0.071 0.000 0.845 1122 L CB 0.656 42.754 42.059 0.065 0.000 1.143 1122 L HN 0.517 8.747 8.230 -0.000 0.000 0.452 1123 V N 4.684 124.588 119.914 -0.017 0.000 2.398 1123 V HA 0.481 4.601 4.120 -0.001 0.000 0.286 1123 V C -0.514 175.544 176.094 -0.061 0.000 1.026 1123 V CA -0.441 61.818 62.300 -0.068 0.000 0.868 1123 V CB 1.665 33.395 31.823 -0.155 0.000 0.982 1123 V HN 0.764 8.954 8.190 -0.000 0.000 0.443 1124 D N 1.062 121.467 120.400 0.008 0.000 2.664 1124 D HA 0.391 5.031 4.640 -0.001 0.000 0.292 1124 D C 0.048 176.446 176.300 0.164 0.000 1.214 1124 D CA -0.234 53.792 54.000 0.044 0.000 0.932 1124 D CB 2.158 42.985 40.800 0.045 0.000 1.420 1124 D HN 0.558 8.928 8.370 -0.000 0.000 0.471 1125 D N -0.648 119.852 120.400 0.167 0.000 2.320 1125 D HA 0.167 4.806 4.640 -0.001 0.000 0.228 1125 D C 0.365 176.777 176.300 0.187 0.000 0.978 1125 D CA 0.452 54.609 54.000 0.262 0.000 0.905 1125 D CB 0.166 41.111 40.800 0.243 0.000 1.051 1125 D HN 0.127 8.497 8.370 -0.000 0.000 0.471 1126 V N -0.723 119.260 119.914 0.115 0.000 3.159 1126 V HA 0.513 4.632 4.120 -0.001 0.000 0.308 1126 V C -1.751 174.369 176.094 0.044 0.000 1.190 1126 V CA -1.127 61.207 62.300 0.058 0.000 1.037 1126 V CB 2.392 34.237 31.823 0.037 0.000 1.060 1126 V HN 0.179 8.369 8.190 -0.000 0.000 0.437 1127 I N 4.676 125.263 120.570 0.028 0.000 2.448 1127 I HA 0.353 4.523 4.170 -0.001 0.000 0.281 1127 I C 1.027 177.163 176.117 0.031 0.000 1.027 1127 I CA 0.042 61.363 61.300 0.036 0.000 1.111 1127 I CB 1.843 39.867 38.000 0.040 0.000 1.236 1127 I HN 0.935 9.145 8.210 -0.000 0.000 0.452 1128 T N 2.272 116.847 114.554 0.034 0.000 3.207 1128 T HA 0.111 4.461 4.350 -0.001 0.000 0.229 1128 T C 1.882 176.605 174.700 0.038 0.000 0.999 1128 T CA 0.816 62.935 62.100 0.032 0.000 1.386 1128 T CB -0.209 68.680 68.868 0.035 0.000 1.130 1128 T HN 0.444 8.684 8.240 -0.000 0.000 0.435 1129 A N 1.269 124.114 122.820 0.042 0.000 1.940 1129 A HA 0.359 4.679 4.320 -0.001 0.000 0.219 1129 A C 2.209 179.825 177.584 0.054 0.000 1.176 1129 A CA 1.837 53.900 52.037 0.044 0.000 0.631 1129 A CB -1.631 17.395 19.000 0.045 0.000 0.814 1129 A HN 1.964 10.114 8.150 -0.000 0.000 0.446 1130 G N -2.152 106.685 108.800 0.063 0.000 2.149 1130 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.235 1130 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.235 1130 G C 0.664 175.630 174.900 0.110 0.000 1.018 1130 G CA 1.347 46.497 45.100 0.084 0.000 0.728 1130 G HN 1.547 9.837 8.290 -0.000 0.000 0.508 1131 T N -4.748 109.861 114.554 0.092 0.000 2.969 1131 T HA 0.582 4.932 4.350 -0.001 0.000 0.258 1131 T C 2.284 177.035 174.700 0.085 0.000 0.962 1131 T CA 1.361 63.522 62.100 0.102 0.000 0.903 1131 T CB 0.172 69.086 68.868 0.077 0.000 1.177 1131 T HN 1.319 9.559 8.240 -0.000 0.000 0.511 1132 A N 1.951 124.810 122.820 0.065 0.000 2.125 1132 A HA 0.155 4.475 4.320 -0.001 0.000 0.219 1132 A C 2.122 179.726 177.584 0.034 0.000 1.156 1132 A CA 0.925 52.992 52.037 0.050 0.000 0.671 1132 A CB -0.788 18.240 19.000 0.046 0.000 0.794 1132 A HN 0.493 8.643 8.150 -0.000 0.000 0.459 1133 I N -0.393 120.191 120.570 0.023 0.000 2.353 1133 I HA -0.155 4.015 4.170 -0.001 0.000 0.248 1133 I C 2.389 178.429 176.117 -0.128 0.000 1.119 1133 I CA 1.372 62.631 61.300 -0.068 0.000 1.417 1133 I CB -1.290 36.643 38.000 -0.112 0.000 1.078 1133 I HN 0.452 8.662 8.210 -0.000 0.000 0.421 1134 R N 1.328 121.835 120.500 0.012 0.000 2.117 1134 R HA -0.225 4.115 4.340 -0.001 0.000 0.243 1134 R C 2.109 178.425 176.300 0.027 0.000 1.143 1134 R CA 1.854 58.006 56.100 0.087 0.000 0.968 1134 R CB -0.017 30.395 30.300 0.187 0.000 0.863 1134 R HN 0.429 8.699 8.270 -0.000 0.000 0.444 1135 E N -0.543 119.674 120.200 0.029 0.000 2.077 1135 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 1135 E C 2.058 178.672 176.600 0.023 0.000 0.989 1135 E CA 1.688 58.108 56.400 0.034 0.000 0.800 1135 E CB 0.015 29.742 29.700 0.045 0.000 0.746 1135 E HN 0.262 8.622 8.360 -0.000 0.000 0.452 1136 S N 0.549 116.259 115.700 0.017 0.000 2.387 1136 S HA -0.126 4.344 4.470 -0.001 0.000 0.226 1136 S C 1.865 176.410 174.600 -0.092 0.000 1.026 1136 S CA 0.899 59.122 58.200 0.039 0.000 0.972 1136 S CB -0.110 63.171 63.200 0.135 0.000 0.814 1136 S HN 0.156 8.466 8.310 -0.000 0.000 0.477 1137 M N 2.157 121.668 119.600 -0.149 0.000 2.159 1137 M HA -0.075 4.405 4.480 -0.001 0.000 0.263 1137 M C 1.747 177.998 176.300 -0.081 0.000 1.063 1137 M CA 1.519 56.708 55.300 -0.186 0.000 1.110 1137 M CB -0.540 31.872 32.600 -0.315 0.000 1.374 1137 M HN 0.156 8.446 8.290 -0.000 0.000 0.411 1138 E N 0.121 120.302 120.200 -0.032 0.000 2.058 1138 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 1138 E C 1.790 178.385 176.600 -0.007 0.000 0.997 1138 E CA 2.116 58.517 56.400 0.001 0.000 0.801 1138 E CB -0.445 29.267 29.700 0.020 0.000 0.746 1138 E HN 0.677 9.037 8.360 -0.000 0.000 0.450 1139 I N 0.097 120.655 120.570 -0.020 0.000 2.252 1139 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 1139 I C 2.300 178.410 176.117 -0.012 0.000 1.102 1139 I CA 0.938 62.241 61.300 0.006 0.000 1.385 1139 I CB -0.294 37.682 38.000 -0.041 0.000 1.064 1139 I HN 0.168 8.378 8.210 -0.000 0.000 0.414 1140 I N 0.403 120.864 120.570 -0.182 0.000 2.208 1140 I HA -0.332 3.838 4.170 -0.001 0.000 0.245 1140 I C 2.595 178.677 176.117 -0.058 0.000 1.097 1140 I CA 1.583 62.758 61.300 -0.208 0.000 1.363 1140 I CB -0.354 37.488 38.000 -0.263 0.000 1.051 1140 I HN 0.326 8.536 8.210 -0.000 0.000 0.413 1141 Q N 0.319 120.098 119.800 -0.035 0.000 2.123 1141 Q HA -0.116 4.224 4.340 -0.001 0.000 0.199 1141 Q C 2.392 178.383 176.000 -0.015 0.000 0.966 1141 Q CA 1.452 57.247 55.803 -0.013 0.000 0.845 1141 Q CB -0.212 28.526 28.738 -0.001 0.000 0.907 1141 Q HN 0.561 8.831 8.270 -0.000 0.000 0.439 1142 A N 0.128 122.940 122.820 -0.013 0.000 2.125 1142 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 1142 A C 0.814 178.252 177.584 -0.243 0.000 1.156 1142 A CA 1.411 53.387 52.037 -0.101 0.000 0.671 1142 A CB -0.395 18.546 19.000 -0.098 0.000 0.794 1142 A HN 0.373 8.523 8.150 -0.000 0.000 0.459 1143 H N -2.132 116.888 119.070 -0.082 0.000 2.594 1143 H HA 0.384 4.939 4.556 -0.000 0.000 0.279 1143 H C 1.511 176.799 175.328 -0.067 0.000 1.042 1143 H CA 0.311 56.311 56.048 -0.080 0.000 1.177 1143 H CB 0.384 30.081 29.762 -0.108 0.000 1.524 1143 H HN 0.501 8.781 8.280 -0.000 0.000 0.537 1144 G N 0.290 109.097 108.800 0.011 0.000 2.189 1144 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.267 1144 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.267 1144 G C 0.707 175.607 174.900 0.000 0.000 0.975 1144 G CA 0.369 45.468 45.100 -0.002 0.000 0.644 1144 G HN 0.700 8.990 8.290 -0.000 0.000 0.537 1145 A N -0.479 122.339 122.820 -0.003 0.000 2.249 1145 A HA 0.876 5.196 4.320 -0.001 0.000 0.281 1145 A C 0.829 178.400 177.584 -0.023 0.000 1.127 1145 A CA 1.024 53.049 52.037 -0.021 0.000 0.833 1145 A CB 0.470 19.438 19.000 -0.054 0.000 1.140 1145 A HN 1.784 9.934 8.150 -0.000 0.000 0.502 1146 T N -2.063 112.480 114.554 -0.018 0.000 2.908 1146 T HA 0.526 4.876 4.350 -0.001 0.000 0.290 1146 T C -0.737 173.955 174.700 -0.014 0.000 1.034 1146 T CA -0.589 61.507 62.100 -0.006 0.000 1.010 1146 T CB 1.136 70.012 68.868 0.012 0.000 1.068 1146 T HN 0.783 9.023 8.240 -0.000 0.000 0.481 1147 L N 2.979 124.196 121.223 -0.010 0.000 2.282 1147 L HA 0.664 5.003 4.340 -0.001 0.000 0.287 1147 L C 1.198 178.076 176.870 0.014 0.000 1.075 1147 L CA -0.199 54.629 54.840 -0.020 0.000 0.839 1147 L CB -0.223 41.805 42.059 -0.051 0.000 1.219 1147 L HN 0.973 9.203 8.230 -0.000 0.000 0.434 1148 A N 3.601 126.434 122.820 0.022 0.000 2.016 1148 A HA 0.582 4.902 4.320 -0.001 0.000 0.217 1148 A C 1.005 178.601 177.584 0.020 0.000 1.162 1148 A CA 0.956 53.016 52.037 0.039 0.000 0.662 1148 A CB -0.383 18.664 19.000 0.078 0.000 0.812 1148 A HN 0.825 8.975 8.150 -0.000 0.000 0.450 1149 G N -2.739 106.056 108.800 -0.009 0.000 2.523 1149 G HA2 0.474 4.433 3.960 -0.001 0.000 0.291 1149 G HA3 0.474 4.433 3.960 -0.001 0.000 0.291 1149 G C -1.859 173.014 174.900 -0.045 0.000 1.450 1149 G CA -0.113 44.970 45.100 -0.029 0.000 0.790 1149 G HN 0.456 8.746 8.290 -0.000 0.000 0.496 1150 V N 0.530 120.424 119.914 -0.034 0.000 2.577 1150 V HA 0.591 4.711 4.120 -0.001 0.000 0.303 1150 V C -0.832 175.252 176.094 -0.018 0.000 1.042 1150 V CA -0.711 61.576 62.300 -0.022 0.000 0.872 1150 V CB 1.518 33.341 31.823 -0.001 0.000 0.998 1150 V HN 0.783 8.973 8.190 -0.000 0.000 0.423 1151 L N 7.564 128.783 121.223 -0.007 0.000 2.272 1151 L HA 0.750 5.090 4.340 -0.001 0.000 0.289 1151 L C -0.363 176.595 176.870 0.148 0.000 1.032 1151 L CA 0.171 55.038 54.840 0.046 0.000 0.810 1151 L CB 0.934 43.025 42.059 0.053 0.000 1.205 1151 L HN 0.689 8.919 8.230 -0.000 0.000 0.422 1152 I N 0.731 121.360 120.570 0.097 0.000 3.002 1152 I HA 0.634 4.803 4.170 -0.001 0.000 0.310 1152 I C 0.637 176.718 176.117 -0.061 0.000 1.087 1152 I CA -0.357 61.006 61.300 0.105 0.000 1.017 1152 I CB 2.070 40.089 38.000 0.032 0.000 1.226 1152 I HN 0.594 8.804 8.210 -0.000 0.000 0.443 1153 S N 2.831 118.510 115.700 -0.034 0.000 2.341 1153 S HA 0.119 4.589 4.470 -0.001 0.000 0.216 1153 S C 0.366 174.791 174.600 -0.292 0.000 1.034 1153 S CA 0.346 58.413 58.200 -0.221 0.000 0.964 1153 S CB -0.218 63.133 63.200 0.253 0.000 0.882 1153 S HN 0.656 8.966 8.310 -0.000 0.000 0.469 1154 L N 1.739 122.770 121.223 -0.321 0.000 2.385 1154 L HA 0.668 5.007 4.340 -0.001 0.000 0.273 1154 L C -1.870 174.865 176.870 -0.223 0.000 0.990 1154 L CA -0.530 54.065 54.840 -0.407 0.000 0.821 1154 L CB 2.137 43.666 42.059 -0.883 0.000 1.279 1154 L HN 0.061 8.291 8.230 -0.000 0.000 0.412 1155 D N 3.399 123.709 120.400 -0.149 0.000 2.412 1155 D HA 0.301 4.940 4.640 -0.001 0.000 0.224 1155 D C 0.760 177.039 176.300 -0.034 0.000 1.093 1155 D CA -0.156 53.803 54.000 -0.068 0.000 0.850 1155 D CB 1.137 41.911 40.800 -0.043 0.000 1.046 1155 D HN 0.610 8.980 8.370 -0.000 0.000 0.507 1156 R N 2.306 122.808 120.500 0.004 0.000 2.285 1156 R HA -0.029 4.310 4.340 -0.001 0.000 0.213 1156 R C 0.443 176.819 176.300 0.126 0.000 1.068 1156 R CA 0.307 56.464 56.100 0.095 0.000 1.004 1156 R CB -0.104 30.256 30.300 0.100 0.000 0.873 1156 R HN 0.604 8.874 8.270 -0.000 0.000 0.467 1157 Q N 0.810 120.657 119.800 0.079 0.000 2.434 1157 Q HA -0.203 4.136 4.340 -0.001 0.000 0.299 1157 Q C -1.027 175.044 176.000 0.117 0.000 1.286 1157 Q CA 1.181 57.034 55.803 0.082 0.000 0.872 1157 Q CB -1.284 27.496 28.738 0.070 0.000 1.193 1157 Q HN 0.590 8.860 8.270 -0.000 0.000 0.466 1158 E N -0.188 120.088 120.200 0.127 0.000 2.222 1158 E HA 0.496 4.846 4.350 -0.001 0.000 0.267 1158 E C -0.237 176.426 176.600 0.105 0.000 0.884 1158 E CA -1.280 55.209 56.400 0.147 0.000 0.764 1158 E CB 1.151 30.974 29.700 0.205 0.000 1.169 1158 E HN 0.269 8.629 8.360 -0.000 0.000 0.413 1159 R N 1.858 122.422 120.500 0.107 0.000 2.678 1159 R HA 0.146 4.486 4.340 -0.001 0.000 0.264 1159 R C 0.426 176.769 176.300 0.071 0.000 0.995 1159 R CA 0.312 56.462 56.100 0.084 0.000 1.098 1159 R CB -0.020 30.332 30.300 0.087 0.000 0.949 1159 R HN 0.705 8.975 8.270 -0.000 0.000 0.422 1160 G N 1.256 110.088 108.800 0.054 0.000 3.152 1160 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.157 1160 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.157 1160 G C 0.668 175.594 174.900 0.043 0.000 1.786 1160 G CA -0.182 44.944 45.100 0.043 0.000 1.055 1160 G HN 0.602 8.892 8.290 -0.000 0.000 0.528 1161 R N -0.317 120.205 120.500 0.036 0.000 2.236 1161 R HA 0.229 4.569 4.340 -0.001 0.000 0.208 1161 R C 0.674 176.996 176.300 0.038 0.000 1.036 1161 R CA 0.850 56.972 56.100 0.036 0.000 1.001 1161 R CB -0.130 30.188 30.300 0.029 0.000 0.896 1161 R HN 0.543 8.813 8.270 -0.000 0.000 0.464 1162 G N -0.434 108.388 108.800 0.036 0.000 2.378 1162 G HA2 0.334 4.294 3.960 -0.001 0.000 0.291 1162 G HA3 0.334 4.294 3.960 -0.001 0.000 0.291 1162 G C -0.499 174.419 174.900 0.030 0.000 1.421 1162 G CA 0.148 45.267 45.100 0.032 0.000 1.154 1162 G HN 0.183 8.473 8.290 -0.000 0.000 0.590 1163 E N -0.236 119.985 120.200 0.034 0.000 4.429 1163 E HA -0.338 4.012 4.350 -0.001 0.000 0.185 1163 E C 0.867 177.486 176.600 0.033 0.000 1.272 1163 E CA 2.203 58.620 56.400 0.029 0.000 2.340 1163 E CB -1.418 28.294 29.700 0.019 0.000 1.837 1163 E HN 0.858 9.218 8.360 -0.000 0.000 0.389 1164 I N 0.305 120.892 120.570 0.029 0.000 2.834 1164 I HA 0.447 4.617 4.170 -0.001 0.000 0.305 1164 I C 0.679 176.819 176.117 0.039 0.000 1.008 1164 I CA -0.093 61.225 61.300 0.030 0.000 1.273 1164 I CB 1.096 39.109 38.000 0.022 0.000 1.432 1164 I HN 0.162 8.372 8.210 -0.000 0.000 0.557 1165 S N 1.369 117.093 115.700 0.041 0.000 2.632 1165 S HA 0.631 5.100 4.470 -0.001 0.000 0.267 1165 S C 1.305 175.931 174.600 0.044 0.000 1.276 1165 S CA -0.094 58.134 58.200 0.047 0.000 0.998 1165 S CB 0.941 64.171 63.200 0.049 0.000 0.953 1165 S HN 0.931 9.241 8.310 -0.000 0.000 0.547 1166 A N 3.363 126.211 122.820 0.046 0.000 1.933 1166 A HA -0.021 4.299 4.320 -0.001 0.000 0.218 1166 A C 1.982 179.599 177.584 0.055 0.000 1.175 1166 A CA 1.253 53.319 52.037 0.049 0.000 0.628 1166 A CB -0.723 18.305 19.000 0.047 0.000 0.814 1166 A HN 0.790 8.940 8.150 -0.000 0.000 0.444 1167 I N -0.097 120.501 120.570 0.048 0.000 2.315 1167 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 1167 I C 2.464 178.611 176.117 0.050 0.000 1.117 1167 I CA 1.397 62.726 61.300 0.048 0.000 1.404 1167 I CB -1.578 36.442 38.000 0.034 0.000 1.071 1167 I HN 0.488 8.698 8.210 -0.000 0.000 0.419 1168 Q N 0.289 120.114 119.800 0.041 0.000 2.230 1168 Q HA -0.159 4.181 4.340 -0.001 0.000 0.202 1168 Q C 2.005 178.024 176.000 0.031 0.000 0.963 1168 Q CA 0.984 56.808 55.803 0.034 0.000 0.866 1168 Q CB 0.005 28.760 28.738 0.028 0.000 0.931 1168 Q HN 0.560 8.830 8.270 -0.000 0.000 0.452 1169 E N 0.025 120.246 120.200 0.035 0.000 2.072 1169 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 1169 E C 2.091 178.709 176.600 0.030 0.000 0.985 1169 E CA 1.148 57.561 56.400 0.021 0.000 0.801 1169 E CB 0.100 29.818 29.700 0.029 0.000 0.750 1169 E HN 0.109 8.469 8.360 -0.000 0.000 0.452 1170 V N 1.836 121.809 119.914 0.097 0.000 2.261 1170 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 1170 V C 2.053 178.264 176.094 0.194 0.000 1.047 1170 V CA 1.990 64.422 62.300 0.220 0.000 1.015 1170 V CB -0.500 31.443 31.823 0.200 0.000 0.642 1170 V HN 0.250 8.440 8.190 -0.000 0.000 0.446 1171 E N 0.268 120.534 120.200 0.109 0.000 2.153 1171 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 1171 E C 2.342 178.969 176.600 0.045 0.000 0.988 1171 E CA 1.521 57.970 56.400 0.082 0.000 0.811 1171 E CB -0.201 29.531 29.700 0.053 0.000 0.746 1171 E HN 0.719 9.079 8.360 -0.000 0.000 0.466 1172 R N 0.798 121.303 120.500 0.008 0.000 2.100 1172 R HA -0.031 4.309 4.340 -0.001 0.000 0.220 1172 R C 1.340 177.587 176.300 -0.087 0.000 1.091 1172 R CA 1.379 57.463 56.100 -0.026 0.000 0.986 1172 R CB 0.007 30.291 30.300 -0.026 0.000 0.888 1172 R HN -0.040 8.230 8.270 -0.000 0.000 0.444 1173 D N -0.412 119.880 120.400 -0.179 0.000 2.323 1173 D HA -0.053 4.587 4.640 -0.001 0.000 0.209 1173 D C 0.429 176.355 176.300 -0.622 0.000 0.973 1173 D CA 0.974 54.720 54.000 -0.423 0.000 0.874 1173 D CB 0.267 40.703 40.800 -0.606 0.000 0.930 1173 D HN 0.367 8.737 8.370 -0.000 0.000 0.521 1174 Y N -0.817 119.488 120.300 0.009 0.000 2.563 1174 Y HA 0.296 4.846 4.550 -0.001 0.000 0.250 1174 Y C 1.614 177.518 175.900 0.007 0.000 1.126 1174 Y CA -0.220 57.884 58.100 0.007 0.000 1.231 1174 Y CB 0.666 39.131 38.460 0.008 0.000 1.288 1174 Y HN -0.078 8.202 8.280 -0.000 0.000 0.537 1175 G N 1.245 110.107 108.800 0.103 0.000 2.283 1175 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.280 1175 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.280 1175 G C 0.355 175.302 174.900 0.078 0.000 1.029 1175 G CA 0.446 45.589 45.100 0.071 0.000 0.840 1175 G HN 0.550 8.840 8.290 -0.000 0.000 0.505 1176 C N -2.314 117.045 119.300 0.098 0.000 2.564 1176 C HA 1.000 5.460 4.460 -0.001 0.000 0.381 1176 C C 0.103 175.125 174.990 0.054 0.000 1.297 1176 C CA -1.727 57.333 59.018 0.071 0.000 1.846 1176 C CB 1.960 29.741 27.740 0.068 0.000 2.198 1176 C HN 0.610 8.840 8.230 -0.000 0.000 0.507 1177 K N 0.452 120.874 120.400 0.036 0.000 2.244 1177 K HA 0.659 4.978 4.320 -0.001 0.000 0.260 1177 K C -1.239 175.370 176.600 0.014 0.000 0.951 1177 K CA -0.525 55.777 56.287 0.026 0.000 0.826 1177 K CB 1.172 33.685 32.500 0.021 0.000 1.108 1177 K HN 0.671 8.921 8.250 -0.000 0.000 0.433 1178 V N 6.197 126.121 119.914 0.017 0.000 2.385 1178 V HA 0.349 4.468 4.120 -0.001 0.000 0.269 1178 V C -0.129 175.962 176.094 -0.006 0.000 1.043 1178 V CA -0.707 61.598 62.300 0.008 0.000 0.906 1178 V CB 0.612 32.446 31.823 0.018 0.000 0.995 1178 V HN 0.635 8.825 8.190 -0.000 0.000 0.467 1179 I N 5.218 125.776 120.570 -0.020 0.000 2.353 1179 I HA 0.455 4.624 4.170 -0.001 0.000 0.293 1179 I C 0.480 176.571 176.117 -0.044 0.000 0.992 1179 I CA 0.599 61.881 61.300 -0.030 0.000 1.268 1179 I CB 1.818 39.790 38.000 -0.047 0.000 1.387 1179 I HN 0.730 8.940 8.210 -0.000 0.000 0.478 1180 S N 5.409 121.074 115.700 -0.058 0.000 2.526 1180 S HA 0.619 5.088 4.470 -0.001 0.000 0.293 1180 S C 0.814 175.330 174.600 -0.140 0.000 1.092 1180 S CA -0.772 57.363 58.200 -0.108 0.000 0.980 1180 S CB 1.260 64.405 63.200 -0.092 0.000 1.048 1180 S HN 0.489 8.799 8.310 -0.000 0.000 0.483 1181 I N 1.596 122.000 120.570 -0.277 0.000 2.202 1181 I HA 0.022 4.191 4.170 -0.001 0.000 0.242 1181 I C 0.827 176.833 176.117 -0.185 0.000 1.091 1181 I CA 1.200 62.319 61.300 -0.301 0.000 1.368 1181 I CB -0.247 37.246 38.000 -0.845 0.000 1.058 1181 I HN 0.720 8.930 8.210 -0.000 0.000 0.410 1182 I N -2.914 117.537 120.570 -0.197 0.000 3.191 1182 I HA 0.579 4.749 4.170 -0.001 0.000 0.313 1182 I C -0.529 175.514 176.117 -0.123 0.000 1.193 1182 I CA -0.691 60.538 61.300 -0.120 0.000 0.968 1182 I CB 2.311 40.282 38.000 -0.047 0.000 1.262 1182 I HN -0.120 8.090 8.210 -0.000 0.000 0.456 1183 T N -0.509 113.989 114.554 -0.093 0.000 2.887 1183 T HA 0.388 4.738 4.350 -0.001 0.000 0.292 1183 T C 0.490 175.147 174.700 -0.072 0.000 1.087 1183 T CA -0.697 61.358 62.100 -0.075 0.000 1.009 1183 T CB 1.779 70.622 68.868 -0.041 0.000 1.203 1183 T HN 0.786 9.026 8.240 -0.000 0.000 0.518 1184 L N 0.729 121.926 121.223 -0.044 0.000 2.081 1184 L HA 0.045 4.385 4.340 -0.001 0.000 0.212 1184 L C 2.353 179.201 176.870 -0.036 0.000 1.080 1184 L CA 2.104 56.915 54.840 -0.049 0.000 0.754 1184 L CB -0.990 41.099 42.059 0.051 0.000 0.893 1184 L HN 0.821 9.051 8.230 -0.000 0.000 0.433 1185 K N -0.162 120.233 120.400 -0.010 0.000 2.148 1185 K HA -0.145 4.174 4.320 -0.001 0.000 0.204 1185 K C 1.747 178.344 176.600 -0.004 0.000 1.050 1185 K CA 1.629 57.917 56.287 0.001 0.000 0.942 1185 K CB -0.388 32.115 32.500 0.005 0.000 0.724 1185 K HN 0.451 8.701 8.250 -0.000 0.000 0.446 1186 D N 0.093 120.483 120.400 -0.018 0.000 2.144 1186 D HA -0.106 4.533 4.640 -0.001 0.000 0.200 1186 D C 1.842 178.156 176.300 0.024 0.000 0.978 1186 D CA 0.879 54.874 54.000 -0.008 0.000 0.833 1186 D CB 0.021 40.798 40.800 -0.038 0.000 0.961 1186 D HN 0.213 8.583 8.370 -0.000 0.000 0.470 1187 L N 0.418 121.631 121.223 -0.016 0.000 2.056 1187 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 1187 L C 2.544 179.456 176.870 0.069 0.000 1.078 1187 L CA 0.711 55.553 54.840 0.004 0.000 0.749 1187 L CB -0.292 41.690 42.059 -0.129 0.000 0.901 1187 L HN -0.005 8.225 8.230 -0.000 0.000 0.433 1188 I N 0.024 120.607 120.570 0.022 0.000 2.179 1188 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 1188 I C 2.813 178.953 176.117 0.038 0.000 1.088 1188 I CA 1.210 62.526 61.300 0.027 0.000 1.357 1188 I CB -0.417 37.594 38.000 0.018 0.000 1.051 1188 I HN 0.193 8.403 8.210 -0.000 0.000 0.409 1189 A N -0.047 122.799 122.820 0.043 0.000 1.940 1189 A HA -0.290 4.030 4.320 -0.001 0.000 0.219 1189 A C 2.267 179.882 177.584 0.051 0.000 1.176 1189 A CA 1.642 53.700 52.037 0.035 0.000 0.631 1189 A CB -0.970 18.049 19.000 0.032 0.000 0.814 1189 A HN 0.546 8.696 8.150 -0.000 0.000 0.446 1190 Y N 0.408 120.698 120.300 -0.017 0.000 2.133 1190 Y HA -0.096 4.453 4.550 -0.001 0.000 0.287 1190 Y C 1.938 177.832 175.900 -0.008 0.000 1.134 1190 Y CA 1.827 59.922 58.100 -0.007 0.000 1.133 1190 Y CB -0.309 38.153 38.460 0.004 0.000 0.987 1190 Y HN 0.192 8.472 8.280 -0.000 0.000 0.502 1191 L N 0.212 121.475 121.223 0.068 0.000 2.265 1191 L HA -0.209 4.130 4.340 -0.001 0.000 0.215 1191 L C 2.376 179.182 176.870 -0.108 0.000 1.117 1191 L CA 1.573 56.389 54.840 -0.040 0.000 0.782 1191 L CB -0.534 41.517 42.059 -0.012 0.000 0.914 1191 L HN 0.337 8.567 8.230 -0.000 0.000 0.441 1192 E N 0.261 120.412 120.200 -0.082 0.000 2.110 1192 E HA -0.274 4.076 4.350 -0.001 0.000 0.193 1192 E C 2.090 178.627 176.600 -0.106 0.000 0.988 1192 E CA 1.172 57.528 56.400 -0.073 0.000 0.804 1192 E CB 0.139 29.813 29.700 -0.044 0.000 0.745 1192 E HN 0.440 8.800 8.360 -0.000 0.000 0.458 1193 E N 0.008 120.108 120.200 -0.167 0.000 2.216 1193 E HA -0.079 4.270 4.350 -0.001 0.000 0.192 1193 E C -0.120 176.363 176.600 -0.195 0.000 0.988 1193 E CA 0.430 56.723 56.400 -0.178 0.000 0.834 1193 E CB 0.369 29.940 29.700 -0.215 0.000 0.772 1193 E HN -0.137 8.223 8.360 -0.000 0.000 0.479 1194 K N 1.973 122.225 120.400 -0.247 0.000 2.266 1194 K HA 0.127 4.446 4.320 -0.001 0.000 0.274 1194 K C -1.856 174.680 176.600 -0.107 0.000 1.090 1194 K CA -2.069 54.108 56.287 -0.184 0.000 0.925 1194 K CB 1.318 33.687 32.500 -0.218 0.000 1.225 1194 K HN 0.108 8.358 8.250 -0.000 0.000 0.458 1195 P HA -0.215 4.205 4.420 -0.000 0.000 0.218 1195 P C 0.762 178.033 177.300 -0.048 0.000 1.148 1195 P CA 1.094 64.160 63.100 -0.057 0.000 0.822 1195 P CB 0.490 32.163 31.700 -0.045 0.000 0.784 1196 D N -0.822 119.555 120.400 -0.038 0.000 2.224 1196 D HA -0.044 4.595 4.640 -0.001 0.000 0.205 1196 D C 1.508 177.791 176.300 -0.028 0.000 0.965 1196 D CA 0.737 54.722 54.000 -0.025 0.000 0.852 1196 D CB -0.094 40.706 40.800 -0.000 0.000 0.947 1196 D HN 0.051 8.421 8.370 -0.000 0.000 0.494 1197 M N 0.413 119.997 119.600 -0.028 0.000 2.639 1197 M HA 0.118 4.598 4.480 -0.001 0.000 0.220 1197 M C 1.762 178.013 176.300 -0.082 0.000 1.155 1197 M CA -0.138 55.147 55.300 -0.024 0.000 1.003 1197 M CB -0.416 32.160 32.600 -0.039 0.000 1.725 1197 M HN -0.057 8.233 8.290 -0.000 0.000 0.489 1198 A N 0.969 123.737 122.820 -0.087 0.000 1.873 1198 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 1198 A C 2.096 179.615 177.584 -0.107 0.000 1.193 1198 A CA 1.609 53.595 52.037 -0.086 0.000 0.629 1198 A CB -0.348 18.610 19.000 -0.071 0.000 0.826 1198 A HN 0.394 8.544 8.150 -0.000 0.000 0.447 1199 E N -0.629 119.468 120.200 -0.172 0.000 2.153 1199 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 1199 E C 1.875 178.360 176.600 -0.192 0.000 0.988 1199 E CA 1.088 57.372 56.400 -0.195 0.000 0.811 1199 E CB -0.433 29.112 29.700 -0.258 0.000 0.746 1199 E HN 0.758 9.118 8.360 -0.000 0.000 0.466 1200 H N 0.406 119.395 119.070 -0.134 0.000 2.372 1200 H HA 0.030 4.585 4.556 -0.001 0.000 0.301 1200 H C 2.354 177.573 175.328 -0.181 0.000 1.065 1200 H CA 0.469 56.387 56.048 -0.217 0.000 1.364 1200 H CB -0.414 28.999 29.762 -0.582 0.000 1.406 1200 H HN 0.117 8.397 8.280 -0.000 0.000 0.521 1201 L N 0.542 121.728 121.223 -0.062 0.000 2.043 1201 L HA -0.213 4.127 4.340 -0.001 0.000 0.212 1201 L C 2.533 179.409 176.870 0.010 0.000 1.075 1201 L CA 1.305 56.120 54.840 -0.042 0.000 0.752 1201 L CB -0.374 41.655 42.059 -0.049 0.000 0.891 1201 L HN 0.219 8.449 8.230 -0.000 0.000 0.432 1202 A N -0.505 122.319 122.820 0.007 0.000 1.898 1202 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 1202 A C 2.410 180.038 177.584 0.075 0.000 1.181 1202 A CA 1.603 53.657 52.037 0.029 0.000 0.620 1202 A CB -0.759 18.246 19.000 0.008 0.000 0.819 1202 A HN 0.551 8.701 8.150 -0.000 0.000 0.442 1203 A N -0.672 122.207 122.820 0.098 0.000 1.930 1203 A HA 0.039 4.358 4.320 -0.001 0.000 0.217 1203 A C 2.183 179.908 177.584 0.234 0.000 1.175 1203 A CA 1.686 53.823 52.037 0.166 0.000 0.627 1203 A CB -0.791 18.324 19.000 0.192 0.000 0.815 1203 A HN 0.374 8.524 8.150 -0.000 0.000 0.443 1204 V N -0.133 119.908 119.914 0.213 0.000 2.515 1204 V HA -0.213 3.906 4.120 -0.001 0.000 0.250 1204 V C 2.597 178.832 176.094 0.235 0.000 1.058 1204 V CA 2.001 64.454 62.300 0.255 0.000 1.064 1204 V CB -0.779 31.133 31.823 0.148 0.000 0.675 1204 V HN 0.506 8.696 8.190 -0.000 0.000 0.461 1205 R N 0.114 120.705 120.500 0.152 0.000 2.075 1205 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 1205 R C 2.480 178.861 176.300 0.136 0.000 1.126 1205 R CA 1.458 57.629 56.100 0.119 0.000 0.963 1205 R CB -0.581 29.760 30.300 0.069 0.000 0.858 1205 R HN 0.522 8.792 8.270 -0.000 0.000 0.435 1206 A N 0.365 123.273 122.820 0.147 0.000 1.883 1206 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 1206 A C 1.997 179.680 177.584 0.165 0.000 1.186 1206 A CA 1.324 53.437 52.037 0.127 0.000 0.624 1206 A CB -0.795 18.283 19.000 0.129 0.000 0.822 1206 A HN 0.451 8.601 8.150 -0.000 0.000 0.444 1207 Y N 0.112 120.514 120.300 0.170 0.000 2.181 1207 Y HA -0.196 4.353 4.550 -0.001 0.000 0.288 1207 Y C 2.592 178.646 175.900 0.256 0.000 1.146 1207 Y CA 2.186 60.451 58.100 0.274 0.000 1.164 1207 Y CB -0.212 38.462 38.460 0.356 0.000 0.982 1207 Y HN 0.290 8.570 8.280 -0.000 0.000 0.515 1208 R N 0.318 121.016 120.500 0.330 0.000 2.115 1208 R HA -0.206 4.134 4.340 -0.001 0.000 0.230 1208 R C 2.157 178.498 176.300 0.068 0.000 1.111 1208 R CA 1.709 57.937 56.100 0.213 0.000 0.976 1208 R CB -0.242 30.170 30.300 0.187 0.000 0.870 1208 R HN 0.427 8.697 8.270 -0.000 0.000 0.445 1209 E N 1.020 121.238 120.200 0.030 0.000 2.051 1209 E HA -0.243 4.107 4.350 -0.001 0.000 0.192 1209 E C 1.711 178.235 176.600 -0.127 0.000 0.991 1209 E CA 2.082 58.464 56.400 -0.031 0.000 0.799 1209 E CB -0.168 29.518 29.700 -0.024 0.000 0.748 1209 E HN 0.532 8.892 8.360 -0.000 0.000 0.449 1210 E N -1.799 118.249 120.200 -0.254 0.000 2.112 1210 E HA -0.078 4.271 4.350 -0.001 0.000 0.190 1210 E C 0.987 177.170 176.600 -0.696 0.000 0.979 1210 E CA 0.893 56.970 56.400 -0.539 0.000 0.814 1210 E CB -0.078 29.145 29.700 -0.796 0.000 0.762 1210 E HN 0.385 8.745 8.360 -0.000 0.000 0.460 1211 F N 0.047 119.850 119.950 -0.245 0.000 2.746 1211 F HA 0.353 4.879 4.527 -0.001 0.000 0.313 1211 F C 1.260 177.006 175.800 -0.089 0.000 1.095 1211 F CA 0.069 57.935 58.000 -0.225 0.000 1.224 1211 F CB 0.213 38.935 39.000 -0.463 0.000 1.060 1211 F HN -0.038 8.262 8.300 -0.000 0.000 0.584 1212 G N 0.691 109.550 108.800 0.099 0.000 2.664 1212 G HA2 0.361 4.321 3.960 -0.001 0.000 0.242 1212 G HA3 0.361 4.321 3.960 -0.001 0.000 0.242 1212 G C 0.239 175.183 174.900 0.074 0.000 1.225 1212 G CA 0.128 45.294 45.100 0.110 0.000 0.849 1212 G HN 0.068 8.358 8.290 -0.000 0.000 0.581 1213 V N 0.000 119.957 119.914 0.072 0.000 2.409 1213 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 1213 V CA 0.000 62.331 62.300 0.051 0.000 1.235 1213 V CB 0.000 31.844 31.823 0.035 0.000 1.184 1213 V HN 0.000 8.190 8.190 -0.000 0.000 0.556