============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 9 1.000 24.722 3.754 37.613 -99.200 -91.000 PHE 22 1.000 20.764 -10.214 37.989 -99.200 -91.000 TRP 29 1.040 25.413 -15.821 30.418 -99.200 -91.000 TRP6 29 1.020 24.748 -14.285 28.738 -99.200 -91.000 PHE 30 1.000 25.357 -9.597 29.492 -99.200 -91.000 HIS 35 0.900 27.892 -10.225 24.460 -99.200 -91.000 TYR 41 0.840 31.074 0.500 43.967 -99.200 -91.000 PHE 47 1.000 24.617 0.047 51.090 -99.200 -91.000 HIS 53 0.900 28.752 -11.170 47.342 -99.200 -91.000 HIS 55 0.900 33.387 -5.205 45.229 -99.200 -91.000 PHE 58 1.000 35.144 -7.684 39.187 -99.200 -91.000 TYR 68 0.840 25.550 14.627 34.821 -99.200 -91.000 TYR 99 0.840 19.521 6.961 39.027 -99.200 -91.000 TYR 115 0.840 17.876 -7.916 34.869 -99.200 -91.000 HIS 117 0.900 18.079 -7.672 40.860 -99.200 -91.000 HIS 119 0.900 11.550 -10.928 46.605 -99.200 -91.000 PHE 141 1.000 14.593 -8.939 32.090 -99.200 -91.000 HIS 143 0.900 13.515 -11.757 41.998 -99.200 -91.000 PHE 149 1.000 8.655 -2.924 39.280 -99.200 -91.000 TRP 157 1.040 5.254 4.735 39.264 -99.200 -91.000 TRP6 157 1.020 6.831 2.980 39.430 -99.200 -91.000 TYR 158 0.840 3.761 3.098 32.938 -99.200 -91.000 TYR 166 0.840 9.630 -9.153 28.322 -99.200 -91.000 PHE 168 1.000 15.166 -10.902 37.807 -99.200 -91.000 TYR 181 0.840 34.022 -22.623 47.478 -99.200 -91.000 TRP 182 1.040 30.550 -32.518 45.794 -99.200 -91.000 TRP6 182 1.020 28.274 -31.929 45.540 -99.200 -91.000 TRP 195 1.040 18.912 -19.724 58.952 -99.200 -91.000 TRP6 195 1.020 19.512 -17.444 59.025 -99.200 -91.000 TRP 202 1.040 11.582 -11.204 53.729 -99.200 -91.000 TRP6 202 1.020 12.983 -11.932 51.976 -99.200 -91.000 PHE 205 1.000 14.772 -13.566 62.409 -99.200 -91.000 TYR 206 0.840 11.604 -14.239 65.350 -99.200 -91.000 PHE 209 1.000 18.006 -17.637 67.026 -99.200 -91.000 PHE 211 1.000 15.061 -28.652 63.126 -99.200 -91.000 HIS 212 0.900 20.724 -25.269 68.677 -99.200 -91.000 PHE 215 1.000 12.044 -31.110 66.964 -99.200 -91.000 PHE 234 1.000 20.121 -9.258 67.474 -99.200 -91.000 TYR 244 0.840 22.360 -13.292 71.064 -99.200 -91.000 TYR 246 0.840 26.056 -10.899 66.477 -99.200 -91.000 TYR 247 0.840 31.183 -16.959 68.979 -99.200 -91.000 TYR 269 0.840 27.534 -15.268 54.533 -99.200 -91.000 PHE 283 1.000 21.876 -32.954 57.681 -99.200 -91.000 TYR 285 0.840 19.047 -26.684 59.007 -99.200 -91.000 TYR 294 0.840 5.717 -10.160 48.164 -99.200 -91.000 TYR 301 0.840 22.313 -14.869 43.146 -99.200 -91.000 HIS 303 0.900 16.064 -20.488 48.565 -99.200 -91.000 PHE 315 1.000 16.546 -25.001 49.463 -99.200 -91.000 TRP 316 1.040 8.489 -22.059 55.033 -99.200 -91.000 TRP6 316 1.020 8.748 -22.048 57.377 -99.200 -91.000 PHE 325 1.000 13.045 -28.548 37.094 -99.200 -91.000 HIS 335 0.900 10.293 -31.675 39.626 -99.200 -91.000 TRP 341 1.040 10.867 -30.165 49.709 -99.200 -91.000 TRP6 341 1.020 11.558 -28.196 48.599 -99.200 -91.000 PHE 342 1.000 12.346 -26.249 59.581 -99.200 -91.000 PHE 351 1.000 16.550 -34.462 65.289 -99.200 -91.000 TYR 364 0.840 25.281 -35.864 53.512 -99.200 -91.000 TYR 372 0.840 25.746 -29.687 40.900 -99.200 -91.000 PHE 374 1.000 14.443 -29.521 41.464 -99.200 -91.000 TYR 376 0.840 23.440 -27.505 35.100 -99.200 -91.000 HIS 378 0.900 13.955 -23.512 39.445 -99.200 -91.000 PHE 383 1.000 20.320 -24.956 31.645 -99.200 -91.000 PHE 385 1.000 22.827 -13.805 34.317 -99.200 -91.000 PHE 389 1.000 22.355 -11.764 24.248 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1y6fA1 MET 998 HA 0.08 -0.06 0.12 -0.75 4.52 3.90 1y6fA1 MET 998 HB2 0.07 -0.03 0.15 -0.04 2.15 2.30 1y6fA1 MET 998 HB3 0.07 -0.04 0.07 -0.04 2.03 2.09 1y6fA1 MET 998 HG2 0.07 -0.03 -0.00 -0.04 2.63 2.63 1y6fA1 MET 998 HG3 0.11 -0.01 0.01 -0.04 2.56 2.63 1y6fA1 MET 998 HE3 0.17 0.01 -0.04 -0.04 2.10 2.19 1y6fA1 GLY 999 H 0.16 0.34 0.10 -0.55 8.43 8.49 1y6fA1 GLY 999 HA2 0.04 -0.04 0.39 -0.51 4.01 3.89 1y6fA1 GLY 999 HA3 0.09 0.07 0.36 -0.51 4.01 4.01 1y6fA1 SER 1000 H 0.02 0.10 0.14 -0.55 8.46 8.17 1y6fA1 SER 1000 HA 0.00 0.12 0.67 -0.75 4.49 4.53 1y6fA1 SER 1000 HB2 -0.14 0.05 0.09 -0.04 3.95 3.91 1y6fA1 SER 1000 HB3 -0.02 -0.09 0.18 -0.04 3.93 3.95 1y6fA1 MET 1001 H 0.87 0.15 0.18 -0.55 8.47 9.13 1y6fA1 MET 1001 HA 0.11 0.23 0.98 -0.75 4.52 5.09 1y6fA1 MET 1001 HB2 0.11 0.00 -0.01 -0.04 2.15 2.21 1y6fA1 MET 1001 HB3 0.06 -0.06 0.09 -0.04 2.03 2.08 1y6fA1 MET 1001 HG2 0.09 0.02 -0.10 -0.04 2.63 2.60 1y6fA1 MET 1001 HG3 0.20 0.01 -0.53 -0.04 2.56 2.20 1y6fA1 MET 1001 HE3 0.03 -0.00 -0.06 -0.04 2.10 2.03 1y6fA1 ARG 1002 H 0.03 0.17 0.19 -0.55 8.46 8.30 1y6fA1 ARG 1002 HA 0.00 0.20 0.91 -0.75 4.34 4.70 1y6fA1 ARG 1002 HB2 0.01 0.02 0.01 -0.04 1.90 1.89 1y6fA1 ARG 1002 HB3 -0.01 -0.13 0.09 -0.04 1.80 1.71 1y6fA1 ARG 1002 HG2 -0.02 0.17 -0.08 -0.04 1.67 1.69 1y6fA1 ARG 1002 HG3 -0.02 0.01 0.00 -0.04 1.67 1.62 1y6fA1 ARG 1002 HD2 -0.00 -0.04 -0.07 -0.04 3.22 3.07 1y6fA1 ARG 1002 HD3 -0.01 0.03 -0.15 -0.04 3.22 3.05 1y6fA1 ILE 1003 H -0.07 0.74 0.37 -0.55 8.25 8.74 1y6fA1 ILE 1003 HA -0.14 0.22 1.19 -0.75 4.18 4.69 1y6fA1 ILE 1003 HB -0.30 -0.05 0.09 -0.04 1.89 1.59 1y6fA1 ILE 1003 HG12 -0.24 0.08 -0.24 -0.04 1.49 1.05 1y6fA1 ILE 1003 HG13 -1.13 -0.03 -0.13 -0.04 1.21 -0.12 1y6fA1 ILE 1003 HG23 -0.50 -0.01 -0.15 -0.04 0.93 0.22 1y6fA1 ILE 1003 HD13 -0.30 0.03 -0.23 -0.04 0.88 0.34 1y6fA1 CYS 1004 H -0.08 0.67 0.37 -0.55 8.50 8.92 1y6fA1 CYS 1004 HA -0.03 0.24 1.12 -0.75 4.58 5.15 1y6fA1 CYS 1004 HB2 -0.05 0.14 -0.12 -0.04 2.97 2.90 1y6fA1 CYS 1004 HB3 -0.04 -0.01 0.11 -0.04 2.97 3.00 1y6fA1 ILE 1005 H 0.02 0.66 0.37 -0.55 8.25 8.75 1y6fA1 ILE 1005 HA 0.09 0.21 0.95 -0.75 4.18 4.68 1y6fA1 ILE 1005 HB 0.06 -0.08 0.20 -0.04 1.89 2.03 1y6fA1 ILE 1005 HG12 -0.01 0.05 -0.09 -0.04 1.49 1.40 1y6fA1 ILE 1005 HG13 -0.04 0.02 -0.14 -0.04 1.21 1.01 1y6fA1 ILE 1005 HG23 0.07 -0.03 -0.07 -0.04 0.93 0.86 1y6fA1 ILE 1005 HD13 -0.00 -0.01 -0.10 -0.04 0.88 0.72 1y6fA1 PHE 1006 H 0.25 0.98 0.47 -0.55 8.34 9.48 1y6fA1 PHE 1006 HA 0.07 0.34 1.06 -0.75 4.62 5.33 1y6fA1 PHE 1006 HB2 0.06 0.09 -0.13 -0.04 3.15 3.13 1y6fA1 PHE 1006 HB3 0.09 -0.03 0.09 -0.04 3.06 3.17 1y6fA1 PHE 1006 HD2 0.11 0.15 -0.08 -0.04 7.28 7.42 1y6fA1 PHE 1006 HE2 0.15 -0.02 -0.21 -0.04 7.38 7.27 1y6fA1 PHE 1006 HZ 0.13 -0.06 -0.12 -0.04 7.32 7.23 1y6fA1 MET 1007 H 0.30 0.64 0.29 -0.55 8.47 9.15 1y6fA1 MET 1007 HA -0.10 0.02 0.98 -0.75 4.52 4.67 1y6fA1 MET 1007 HB2 0.07 0.03 0.17 -0.04 2.15 2.37 1y6fA1 MET 1007 HB3 -0.06 -0.02 0.06 -0.04 2.03 1.96 1y6fA1 MET 1007 HG2 0.00 -0.01 -0.11 -0.04 2.63 2.46 1y6fA1 MET 1007 HG3 0.06 0.11 -0.28 -0.04 2.56 2.41 1y6fA1 MET 1007 HE3 -0.07 0.03 -0.15 -0.04 2.10 1.88 1y6fA1 ALA 1008 H -0.46 0.65 0.14 -0.55 8.40 8.18 1y6fA1 ALA 1008 HA -0.48 0.04 0.51 -0.75 4.34 3.66 1y6fA1 ALA 1008 HB3 -0.77 0.05 0.18 -0.04 1.41 0.84 1y6fA1 ARG 1009 H -0.16 0.02 -0.48 -0.55 8.46 7.28 1y6fA1 ARG 1009 HA -0.04 0.03 0.25 -0.75 4.34 3.82 1y6fA1 ARG 1009 HB2 -0.06 0.06 -0.07 -0.04 1.90 1.79 1y6fA1 ARG 1009 HB3 -0.10 -0.02 -0.06 -0.04 1.80 1.57 1y6fA1 ARG 1009 HG2 0.07 0.02 -0.19 -0.04 1.67 1.52 1y6fA1 ARG 1009 HG3 0.07 0.02 0.01 -0.04 1.67 1.72 1y6fA1 ARG 1009 HD2 -0.01 0.03 -0.03 -0.04 3.22 3.17 1y6fA1 ARG 1009 HD3 -0.13 -0.08 -0.09 -0.04 3.22 2.89 1y6fA1 GLY 1010 H -0.04 0.05 -0.36 -0.55 8.43 7.54 1y6fA1 GLY 1010 HA2 0.21 0.24 0.33 -0.51 4.01 4.28 1y6fA1 GLY 1010 HA3 0.24 0.27 0.77 -0.51 4.01 4.79 1y6fA1 LEU 1011 H 0.08 0.29 0.02 -0.55 8.37 8.20 1y6fA1 LEU 1011 HA -0.33 0.05 0.76 -0.75 4.35 4.07 1y6fA1 LEU 1011 HB2 -1.20 0.04 0.00 -0.04 1.64 0.44 1y6fA1 LEU 1011 HB3 -0.53 0.06 0.16 -0.04 1.64 1.29 1y6fA1 LEU 1011 HG -0.51 -0.10 -0.02 -0.04 1.64 0.97 1y6fA1 LEU 1011 HD13 -1.03 0.03 -0.09 -0.04 0.93 -0.21 1y6fA1 LEU 1011 HD23 -0.56 -0.00 -0.13 -0.04 0.89 0.16 1y6fA1 GLU 1012 H -0.45 0.16 -0.03 -0.55 8.60 7.73 1y6fA1 GLU 1012 HA -0.78 0.20 0.39 -0.75 4.29 3.34 1y6fA1 GLU 1012 HB2 -0.38 -0.06 -0.12 -0.04 2.09 1.50 1y6fA1 GLU 1012 HB3 -1.26 0.11 -0.10 -0.04 1.99 0.71 1y6fA1 GLU 1012 HG2 -0.32 0.04 -0.07 -0.04 2.34 1.95 1y6fA1 GLU 1012 HG3 -0.47 0.20 -0.07 -0.04 2.34 1.96 1y6fA1 GLY 1013 H -0.25 0.00 -0.14 -0.55 8.43 7.50 1y6fA1 GLY 1013 HA2 -0.02 0.00 0.24 -0.51 4.01 3.72 1y6fA1 GLY 1013 HA3 -0.05 0.62 0.56 -0.51 4.01 4.63 1y6fA1 CYS 1014 H -0.15 -0.14 -0.18 -0.55 8.50 7.49 1y6fA1 CYS 1014 HA 0.01 0.36 0.85 -0.75 4.58 5.05 1y6fA1 CYS 1014 HB2 -0.07 -0.07 0.05 -0.04 2.97 2.84 1y6fA1 CYS 1014 HB3 -0.03 -0.08 0.18 -0.04 2.97 3.00 1y6fA1 GLY 1015 H 0.01 0.19 0.11 -0.55 8.43 8.20 1y6fA1 GLY 1015 HA2 0.13 0.10 0.36 -0.51 4.01 4.08 1y6fA1 GLY 1015 HA3 0.09 0.12 0.35 -0.51 4.01 4.06 1y6fA1 VAL 1016 H -0.10 0.07 -0.10 -0.55 8.24 7.55 1y6fA1 VAL 1016 HA -0.38 0.19 0.43 -0.75 4.13 3.63 1y6fA1 VAL 1016 HB -0.16 -0.13 0.04 -0.04 2.12 1.82 1y6fA1 VAL 1016 HG13 -0.13 0.04 -0.17 -0.04 0.97 0.66 1y6fA1 VAL 1016 HG23 -0.14 0.02 0.03 -0.04 0.95 0.82 1y6fA1 THR 1017 H -0.20 -0.06 -0.26 -0.55 8.28 7.21 1y6fA1 THR 1017 HA -0.21 0.13 0.38 -0.75 4.39 3.93 1y6fA1 THR 1017 HB -0.32 0.06 0.01 -0.04 4.32 4.03 1y6fA1 THR 1017 HG23 -0.37 0.06 -0.19 -0.04 1.22 0.67 1y6fA1 LYS 1018 H -0.34 0.48 -0.22 -0.55 8.42 7.78 1y6fA1 LYS 1018 HA -0.51 0.04 0.32 -0.75 4.32 3.42 1y6fA1 LYS 1018 HB2 -0.48 -0.01 -0.05 -0.04 1.87 1.30 1y6fA1 LYS 1018 HB3 -0.51 0.04 0.07 -0.04 1.79 1.35 1y6fA1 LYS 1018 HG2 -0.83 -0.07 -0.10 -0.04 1.46 0.42 1y6fA1 LYS 1018 HG3 -1.49 0.09 -0.24 -0.04 1.46 -0.22 1y6fA1 LYS 1018 HD2 -0.27 -0.03 0.04 -0.04 1.69 1.38 1y6fA1 LYS 1018 HD3 -0.10 -0.02 -0.07 -0.04 1.68 1.45 1y6fA1 LYS 1018 HE2 -0.04 -0.01 -0.09 -0.04 2.99 2.81 1y6fA1 LYS 1018 HE3 -0.16 0.02 -0.06 -0.04 2.99 2.75 1y6fA1 PHE 1019 H -0.03 0.46 -0.20 -0.55 8.34 8.02 1y6fA1 PHE 1019 HA 0.10 0.12 0.36 -0.75 4.62 4.46 1y6fA1 PHE 1019 HB2 0.17 -0.02 0.08 -0.04 3.15 3.35 1y6fA1 PHE 1019 HB3 -0.21 0.03 0.15 -0.04 3.06 2.98 1y6fA1 PHE 1019 HD2 0.07 -0.01 -0.07 -0.04 7.28 7.22 1y6fA1 PHE 1019 HE2 -0.47 0.07 -0.09 -0.04 7.38 6.85 1y6fA1 PHE 1019 HZ -1.13 0.06 -0.12 -0.04 7.32 6.08 1y6fA1 SER 1020 H -0.01 0.46 -0.18 -0.55 8.46 8.19 1y6fA1 SER 1020 HA -0.15 0.07 0.35 -0.75 4.49 4.02 1y6fA1 SER 1020 HB2 -0.06 0.05 0.09 -0.04 3.95 3.99 1y6fA1 SER 1020 HB3 -0.00 0.00 -0.03 -0.04 3.93 3.86 1y6fA1 LEU 1021 H -0.11 0.49 -0.18 -0.55 8.37 8.03 1y6fA1 LEU 1021 HA 0.03 0.05 0.38 -0.75 4.35 4.06 1y6fA1 LEU 1021 HB2 -0.09 0.08 0.07 -0.04 1.64 1.66 1y6fA1 LEU 1021 HB3 0.06 0.00 -0.02 -0.04 1.64 1.64 1y6fA1 LEU 1021 HG -0.10 0.21 0.00 -0.04 1.64 1.70 1y6fA1 LEU 1021 HD13 0.07 -0.01 -0.18 -0.04 0.93 0.77 1y6fA1 LEU 1021 HD23 0.26 -0.01 -0.06 -0.04 0.89 1.04 1y6fA1 GLU 1022 H -0.10 0.49 -0.30 -0.55 8.60 8.14 1y6fA1 GLU 1022 HA 0.02 -0.03 0.46 -0.75 4.29 3.99 1y6fA1 GLU 1022 HB2 -0.02 0.15 0.16 -0.04 2.09 2.33 1y6fA1 GLU 1022 HB3 0.18 0.15 0.06 -0.04 1.99 2.33 1y6fA1 GLU 1022 HG2 0.28 0.28 0.23 -0.04 2.34 3.09 1y6fA1 GLU 1022 HG3 0.29 -0.09 -0.02 -0.04 2.34 2.48 1y6fA1 GLN 1023 H -0.24 0.37 -0.34 -0.55 8.47 7.71 1y6fA1 GLN 1023 HA -1.33 0.02 0.43 -0.75 4.36 2.73 1y6fA1 GLN 1023 HB2 -0.71 0.12 0.08 -0.04 2.15 1.60 1y6fA1 GLN 1023 HB3 -0.23 0.08 0.12 -0.04 2.02 1.95 1y6fA1 GLN 1023 HG2 0.11 0.01 -0.13 -0.04 2.40 2.34 1y6fA1 GLN 1023 HG3 -0.49 -0.02 -0.02 -0.04 2.39 1.82 1y6fA1 GLN 1023 HE21 -0.04 -0.02 -0.14 -0.04 6.97 6.73 1y6fA1 GLN 1023 HE22 0.09 0.03 -0.11 -0.04 7.69 7.66 1y6fA1 ARG 1024 H -0.10 0.71 -0.01 -0.55 8.46 8.51 1y6fA1 ARG 1024 HA 0.06 0.03 0.34 -0.75 4.34 4.01 1y6fA1 ARG 1024 HB2 -0.01 -0.03 0.03 -0.04 1.90 1.84 1y6fA1 ARG 1024 HB3 -0.06 0.06 0.17 -0.04 1.80 1.93 1y6fA1 ARG 1024 HG2 -0.21 0.02 -0.30 -0.04 1.67 1.14 1y6fA1 ARG 1024 HG3 -0.10 -0.01 -0.10 -0.04 1.67 1.42 1y6fA1 ARG 1024 HD2 -0.03 -0.04 -0.12 -0.04 3.22 2.99 1y6fA1 ARG 1024 HD3 -0.28 -0.05 -0.05 -0.04 3.22 2.80 1y6fA1 ASP 1025 H -0.07 0.52 -0.20 -0.55 8.40 8.11 1y6fA1 ASP 1025 HA -0.09 0.04 0.32 -0.75 4.63 4.15 1y6fA1 ASP 1025 HB2 0.00 0.02 0.09 -0.04 2.71 2.78 1y6fA1 ASP 1025 HB3 -0.02 -0.04 -0.01 -0.04 2.70 2.59 1y6fA1 TRP 1026 H -0.03 0.38 -0.34 -0.55 7.97 7.43 1y6fA1 TRP 1026 HA -0.19 -0.01 0.37 -0.75 4.62 4.03 1y6fA1 TRP 1026 HB2 -0.36 -0.06 0.07 -0.04 3.23 2.84 1y6fA1 TRP 1026 HB3 -0.93 0.14 0.11 -0.04 3.23 2.51 1y6fA1 TRP 1026 HD1 -0.04 -0.16 -0.20 -0.04 7.22 6.77 1y6fA1 TRP 1026 HE1 -0.08 0.06 -0.17 -0.04 10.20 9.98 1y6fA1 TRP 1026 HE3 -1.68 0.05 -0.26 -0.04 7.59 5.65 1y6fA1 TRP 1026 HZ2 -0.20 0.02 -0.15 -0.04 7.44 7.08 1y6fA1 TRP 1026 HZ3 -1.34 0.03 -0.11 -0.04 7.13 5.67 1y6fA1 TRP 1026 HH2 -0.85 0.06 -0.08 -0.04 7.19 6.28 1y6fA1 PHE 1027 H 0.13 0.54 -0.12 -0.55 8.34 8.33 1y6fA1 PHE 1027 HA -0.17 0.04 0.31 -0.75 4.62 4.05 1y6fA1 PHE 1027 HB2 -0.00 0.06 0.07 -0.04 3.15 3.23 1y6fA1 PHE 1027 HB3 0.04 0.01 -0.16 -0.04 3.06 2.92 1y6fA1 PHE 1027 HD2 -0.11 0.05 -0.11 -0.04 7.28 7.08 1y6fA1 PHE 1027 HE2 0.15 -0.01 -0.09 -0.04 7.38 7.39 1y6fA1 PHE 1027 HZ 0.19 0.02 -0.10 -0.04 7.32 7.38 1y6fA1 ILE 1028 H 0.01 0.55 -0.15 -0.55 8.25 8.11 1y6fA1 ILE 1028 HA -0.04 0.30 0.43 -0.75 4.18 4.11 1y6fA1 ILE 1028 HB -0.09 0.02 0.14 -0.04 1.89 1.91 1y6fA1 ILE 1028 HG12 -0.05 0.03 0.08 -0.04 1.49 1.50 1y6fA1 ILE 1028 HG13 -0.03 0.06 0.05 -0.04 1.21 1.24 1y6fA1 ILE 1028 HG23 -0.09 -0.02 -0.12 -0.04 0.93 0.66 1y6fA1 ILE 1028 HD13 -0.15 -0.04 -0.05 -0.04 0.88 0.60 1y6fA1 LYS 1029 H -0.19 0.62 -0.12 -0.55 8.42 8.17 1y6fA1 LYS 1029 HA -0.18 -0.01 0.39 -0.75 4.32 3.77 1y6fA1 LYS 1029 HB2 -0.15 -0.07 0.12 -0.04 1.87 1.73 1y6fA1 LYS 1029 HB3 -0.31 0.08 0.13 -0.04 1.79 1.65 1y6fA1 LYS 1029 HG2 -0.26 0.06 -0.09 -0.04 1.46 1.13 1y6fA1 LYS 1029 HG3 -0.14 -0.05 0.08 -0.04 1.46 1.30 1y6fA1 LYS 1029 HD2 -0.21 0.00 -0.05 -0.04 1.69 1.38 1y6fA1 LYS 1029 HD3 -0.13 -0.03 -0.03 -0.04 1.68 1.45 1y6fA1 LYS 1029 HE2 -0.06 0.01 -0.00 -0.04 2.99 2.90 1y6fA1 LYS 1029 HE3 -0.06 0.02 -0.03 -0.04 2.99 2.88 1y6fA1 ASN 1030 H -0.49 0.41 -0.53 -0.55 8.53 7.37 1y6fA1 ASN 1030 HA -0.43 0.14 0.90 -0.75 4.76 4.61 1y6fA1 ASN 1030 HB2 -1.08 0.06 0.08 -0.04 2.88 1.90 1y6fA1 ASN 1030 HB3 -0.69 -0.04 0.17 -0.04 2.79 2.19 1y6fA1 ASN 1030 HD21 -1.75 -0.17 -0.10 -0.04 7.03 4.98 1y6fA1 ASN 1030 HD22 -2.20 0.64 -0.01 -0.04 7.74 6.13 1y6fA1 GLY 1031 H -0.26 0.47 -0.26 -0.55 8.43 7.84 1y6fA1 GLY 1031 HA2 -0.21 -0.03 0.29 -0.51 4.01 3.55 1y6fA1 GLY 1031 HA3 -0.35 0.08 0.62 -0.51 4.01 3.85 1y6fA1 HIS 1032 H -0.12 0.47 -0.03 -0.55 8.41 8.18 1y6fA1 HIS 1032 HA -0.01 0.15 0.89 -0.75 4.63 4.90 1y6fA1 HIS 1032 HB2 0.15 -0.10 -0.12 -0.04 3.26 3.15 1y6fA1 HIS 1032 HB3 0.04 0.16 0.06 -0.04 3.20 3.42 1y6fA1 HIS 1032 HD2 -0.16 0.00 -0.05 -0.04 6.97 6.72 1y6fA1 HIS 1032 HE1 0.16 0.32 0.13 -0.04 7.75 8.32 1y6fA1 GLU 1033 H 0.07 0.41 0.30 -0.55 8.60 8.83 1y6fA1 GLU 1033 HA -0.00 0.09 0.72 -0.75 4.29 4.34 1y6fA1 GLU 1033 HB2 0.01 -0.02 0.17 -0.04 2.09 2.21 1y6fA1 GLU 1033 HB3 -0.01 0.01 0.03 -0.04 1.99 1.99 1y6fA1 GLU 1033 HG2 -0.01 -0.00 0.02 -0.04 2.34 2.30 1y6fA1 GLU 1033 HG3 -0.01 0.04 -0.03 -0.04 2.34 2.30 1y6fA1 VAL 1034 H -0.02 0.21 0.21 -0.55 8.24 8.10 1y6fA1 VAL 1034 HA -0.05 0.36 1.08 -0.75 4.13 4.76 1y6fA1 VAL 1034 HB -0.03 -0.03 0.01 -0.04 2.12 2.03 1y6fA1 VAL 1034 HG13 -0.02 -0.04 -0.21 -0.04 0.97 0.65 1y6fA1 VAL 1034 HG23 0.00 0.02 -0.33 -0.04 0.95 0.60 1y6fA1 THR 1035 H -0.02 0.57 0.36 -0.55 8.28 8.64 1y6fA1 THR 1035 HA 0.04 0.15 0.86 -0.75 4.39 4.69 1y6fA1 THR 1035 HB 0.01 -0.01 0.02 -0.04 4.32 4.30 1y6fA1 THR 1035 HG23 -0.01 0.02 -0.14 -0.04 1.22 1.05 1y6fA1 LEU 1036 H 0.13 0.29 0.13 -0.55 8.37 8.37 1y6fA1 LEU 1036 HA 0.11 0.19 0.97 -0.75 4.35 4.86 1y6fA1 LEU 1036 HB2 0.18 0.01 -0.02 -0.04 1.64 1.77 1y6fA1 LEU 1036 HB3 0.28 -0.01 0.13 -0.04 1.64 1.99 1y6fA1 LEU 1036 HG 0.16 -0.01 -0.22 -0.04 1.64 1.52 1y6fA1 LEU 1036 HD13 0.08 0.03 -0.06 -0.04 0.93 0.94 1y6fA1 LEU 1036 HD23 0.21 -0.03 -0.09 -0.04 0.89 0.94 1y6fA1 VAL 1037 H 0.16 0.84 0.36 -0.55 8.24 9.05 1y6fA1 VAL 1037 HA 0.14 0.28 1.09 -0.75 4.13 4.89 1y6fA1 VAL 1037 HB -0.01 -0.02 0.01 -0.04 2.12 2.06 1y6fA1 VAL 1037 HG13 -0.04 0.00 -0.20 -0.04 0.97 0.69 1y6fA1 VAL 1037 HG23 -0.04 0.02 -0.23 -0.04 0.95 0.65 1y6fA1 TYR 1038 H 0.08 0.65 0.27 -0.55 8.29 8.74 1y6fA1 TYR 1038 HA 0.20 0.12 0.86 -0.75 4.56 4.99 1y6fA1 TYR 1038 HB2 0.02 -0.05 -0.05 -0.04 3.06 2.94 1y6fA1 TYR 1038 HB3 0.04 0.01 -0.25 -0.04 2.98 2.74 1y6fA1 TYR 1038 HD2 0.05 0.03 -0.29 -0.04 7.15 6.90 1y6fA1 TYR 1038 HE2 0.07 0.06 -0.20 -0.04 6.85 6.73 1y6fA1 ALA 1039 H 0.17 0.43 0.22 -0.55 8.40 8.67 1y6fA1 ALA 1039 HA 0.06 0.37 0.89 -0.75 4.34 4.90 1y6fA1 ALA 1039 HB3 0.08 -0.01 0.13 -0.04 1.41 1.56 1y6fA1 LYS 1040 H -0.03 0.44 0.22 -0.55 8.42 8.50 1y6fA1 LYS 1040 HA 0.18 0.26 0.81 -0.75 4.32 4.81 1y6fA1 LYS 1040 HB2 0.08 0.05 0.09 -0.04 1.87 2.04 1y6fA1 LYS 1040 HB3 -0.06 -0.00 -0.01 -0.04 1.79 1.68 1y6fA1 LYS 1040 HG2 -0.06 -0.06 -0.26 -0.04 1.46 1.04 1y6fA1 LYS 1040 HG3 0.00 0.01 -0.22 -0.04 1.46 1.21 1y6fA1 LYS 1040 HD2 -0.10 0.00 -0.10 -0.04 1.69 1.45 1y6fA1 LYS 1040 HD3 -0.03 0.01 -0.14 -0.04 1.68 1.49 1y6fA1 LYS 1040 HE2 0.02 0.00 -0.06 -0.04 2.99 2.92 1y6fA1 LYS 1040 HE3 0.06 -0.01 -0.03 -0.04 2.99 2.97 1y6fA1 ASP 1041 H 0.06 0.02 -0.22 -0.55 8.40 7.72 1y6fA1 ASP 1041 HA 0.03 0.02 0.37 -0.75 4.63 4.30 1y6fA1 ASP 1041 HB2 0.04 0.06 0.07 -0.04 2.71 2.85 1y6fA1 ASP 1041 HB3 0.03 0.09 0.11 -0.04 2.70 2.90 1y6fA1 LYS 1042 H 0.09 0.15 -0.27 -0.55 8.42 7.84 1y6fA1 LYS 1042 HA -0.06 0.18 0.92 -0.75 4.32 4.60 1y6fA1 LYS 1042 HB2 -0.02 -0.03 -0.03 -0.04 1.87 1.75 1y6fA1 LYS 1042 HB3 0.08 0.07 0.07 -0.04 1.79 1.97 1y6fA1 LYS 1042 HG2 -0.76 0.11 -0.27 -0.04 1.46 0.51 1y6fA1 LYS 1042 HG3 -0.27 -0.01 0.07 -0.04 1.46 1.21 1y6fA1 LYS 1042 HD2 -0.05 -0.04 -0.07 -0.04 1.69 1.48 1y6fA1 LYS 1042 HD3 0.05 -0.02 -0.06 -0.04 1.68 1.61 1y6fA1 LYS 1042 HE2 -0.62 0.01 -0.03 -0.04 2.99 2.31 1y6fA1 LYS 1042 HE3 -0.24 0.03 -0.00 -0.04 2.99 2.74 1y6fA1 SER 1043 H -0.18 0.13 0.13 -0.55 8.46 8.00 1y6fA1 SER 1043 HA 0.10 0.20 0.88 -0.75 4.49 4.92 1y6fA1 SER 1043 HB2 0.00 0.08 -0.02 -0.04 3.95 3.97 1y6fA1 SER 1043 HB3 -0.07 -0.02 0.02 -0.04 3.93 3.82 1y6fA1 PHE 1044 H 0.19 0.26 0.15 -0.55 8.34 8.39 1y6fA1 PHE 1044 HA -0.01 0.16 0.82 -0.75 4.62 4.84 1y6fA1 PHE 1044 HB2 -0.03 0.13 -0.06 -0.04 3.15 3.15 1y6fA1 PHE 1044 HB3 -0.03 -0.09 0.01 -0.04 3.06 2.91 1y6fA1 PHE 1044 HD2 -0.01 -0.03 -0.22 -0.04 7.28 6.99 1y6fA1 PHE 1044 HE2 0.00 0.09 -0.16 -0.04 7.38 7.26 1y6fA1 PHE 1044 HZ -0.01 0.04 -0.15 -0.04 7.32 7.16 1y6fA1 THR 1045 H 0.09 0.15 0.13 -0.55 8.28 8.11 1y6fA1 THR 1045 HA 0.03 0.13 0.41 -0.75 4.39 4.20 1y6fA1 THR 1045 HB 0.02 -0.05 0.12 -0.04 4.32 4.38 1y6fA1 THR 1045 HG23 0.00 0.02 -0.01 -0.04 1.22 1.19 1y6fA1 ARG 1046 H 0.06 0.11 -0.02 -0.55 8.46 8.05 1y6fA1 ARG 1046 HA -0.03 0.08 0.45 -0.75 4.34 4.09 1y6fA1 ARG 1046 HB2 -0.05 0.17 0.24 -0.04 1.90 2.21 1y6fA1 ARG 1046 HB3 -0.11 0.02 0.20 -0.04 1.80 1.87 1y6fA1 ARG 1046 HG2 -0.02 -0.04 0.05 -0.04 1.67 1.62 1y6fA1 ARG 1046 HG3 0.03 -0.03 0.12 -0.04 1.67 1.75 1y6fA1 ARG 1046 HD2 -0.02 -0.04 0.04 -0.04 3.22 3.16 1y6fA1 ARG 1046 HD3 -0.06 -0.00 0.00 -0.04 3.22 3.11 1y6fA1 THR 1047 H 0.05 0.51 -0.78 -0.55 8.28 7.51 1y6fA1 THR 1047 HA -0.03 0.04 0.18 -0.75 4.39 3.83 1y6fA1 THR 1047 HB 0.10 0.03 0.09 -0.04 4.32 4.49 1y6fA1 THR 1047 HG23 0.06 0.05 0.03 -0.04 1.22 1.32 1y6fA1 SER 1048 H 0.02 0.11 -0.26 -0.55 8.46 7.78 1y6fA1 SER 1048 HA 0.13 0.27 0.95 -0.75 4.49 5.09 1y6fA1 SER 1048 HB2 0.01 -0.00 -0.02 -0.04 3.95 3.90 1y6fA1 SER 1048 HB3 0.01 0.02 0.10 -0.04 3.93 4.02 1y6fA1 SER 1049 H -0.03 0.28 -0.20 -0.55 8.46 7.96 1y6fA1 SER 1049 HA -0.15 -0.01 0.50 -0.75 4.49 4.09 1y6fA1 SER 1049 HB2 -0.16 0.07 0.19 -0.04 3.95 4.01 1y6fA1 SER 1049 HB3 -0.50 -0.10 0.16 -0.04 3.93 3.45 1y6fA1 HIS 1050 H 0.12 0.15 -0.36 -0.55 8.41 7.78 1y6fA1 HIS 1050 HA 0.04 0.13 0.88 -0.75 4.63 4.92 1y6fA1 HIS 1050 HB2 0.01 -0.02 -0.16 -0.04 3.26 3.06 1y6fA1 HIS 1050 HB3 0.03 0.07 -0.06 -0.04 3.20 3.20 1y6fA1 HIS 1050 HD2 -0.04 0.06 -0.10 -0.04 6.97 6.85 1y6fA1 HIS 1050 HE1 -0.13 0.23 -0.33 -0.04 7.75 7.47 1y6fA1 ASP 1051 H 0.14 0.17 0.08 -0.55 8.40 8.25 1y6fA1 ASP 1051 HA -0.02 0.10 0.79 -0.75 4.63 4.74 1y6fA1 ASP 1051 HB2 0.04 0.03 0.07 -0.04 2.71 2.81 1y6fA1 ASP 1051 HB3 0.10 0.03 0.18 -0.04 2.70 2.97 1y6fA1 HIS 1052 H -0.49 0.00 0.28 -0.55 8.41 7.65 1y6fA1 HIS 1052 HA -0.94 0.23 0.81 -0.75 4.63 3.97 1y6fA1 HIS 1052 HB2 -0.42 -0.00 0.01 -0.04 3.26 2.82 1y6fA1 HIS 1052 HB3 -0.14 0.01 -0.24 -0.04 3.20 2.78 1y6fA1 HIS 1052 HD2 -0.07 0.24 -0.05 -0.04 6.97 7.05 1y6fA1 HIS 1052 HE1 -0.15 0.01 -0.01 -0.04 7.75 7.56 1y6fA1 LYS 1053 H -0.95 -0.05 0.22 -0.55 8.42 7.09 1y6fA1 LYS 1053 HA -0.41 0.10 0.38 -0.75 4.32 3.63 1y6fA1 LYS 1053 HB2 -0.37 -0.08 0.19 -0.04 1.87 1.57 1y6fA1 LYS 1053 HB3 -0.19 0.10 -0.03 -0.04 1.79 1.62 1y6fA1 LYS 1053 HG2 -0.11 0.06 0.07 -0.04 1.46 1.44 1y6fA1 LYS 1053 HG3 -0.28 -0.02 0.10 -0.04 1.46 1.21 1y6fA1 LYS 1053 HD2 -0.10 0.02 0.03 -0.04 1.69 1.60 1y6fA1 LYS 1053 HD3 -0.05 0.01 0.02 -0.04 1.68 1.62 1y6fA1 LYS 1053 HE2 -0.25 -0.07 0.11 -0.04 2.99 2.75 1y6fA1 LYS 1053 HE3 -0.06 0.01 0.03 -0.04 2.99 2.92 1y6fA1 SER 1054 H -0.30 -0.02 -0.46 -0.55 8.46 7.13 1y6fA1 SER 1054 HA -0.05 0.17 0.59 -0.75 4.49 4.44 1y6fA1 SER 1054 HB2 0.03 0.04 0.08 -0.04 3.95 4.06 1y6fA1 SER 1054 HB3 -0.02 -0.10 0.01 -0.04 3.93 3.79 1y6fA1 PHE 1055 H -0.64 0.35 0.03 -0.55 8.34 7.52 1y6fA1 PHE 1055 HA 0.03 0.27 0.98 -0.75 4.62 5.14 1y6fA1 PHE 1055 HB2 0.03 0.01 0.08 -0.04 3.15 3.22 1y6fA1 PHE 1055 HB3 0.02 0.03 -0.07 -0.04 3.06 2.99 1y6fA1 PHE 1055 HD2 0.03 -0.01 -0.18 -0.04 7.28 7.08 1y6fA1 PHE 1055 HE2 0.04 -0.02 -0.01 -0.04 7.38 7.35 1y6fA1 PHE 1055 HZ 0.05 0.01 0.09 -0.04 7.32 7.44 1y6fA1 SER 1056 H -0.40 0.33 0.17 -0.55 8.46 8.01 1y6fA1 SER 1056 HA 0.21 0.12 0.54 -0.75 4.49 4.60 1y6fA1 SER 1056 HB2 0.31 -0.04 -0.09 -0.04 3.95 4.08 1y6fA1 SER 1056 HB3 0.04 -0.09 0.02 -0.04 3.93 3.85 1y6fA1 ILE 1057 H 0.20 0.57 0.36 -0.55 8.25 8.82 1y6fA1 ILE 1057 HA 0.05 0.25 0.99 -0.75 4.18 4.71 1y6fA1 ILE 1057 HB 0.04 -0.08 0.20 -0.04 1.89 2.01 1y6fA1 ILE 1057 HG12 0.05 0.06 -0.10 -0.04 1.49 1.45 1y6fA1 ILE 1057 HG13 0.09 0.09 -0.08 -0.04 1.21 1.27 1y6fA1 ILE 1057 HG23 -0.02 0.01 -0.10 -0.04 0.93 0.77 1y6fA1 ILE 1057 HD13 0.02 -0.02 -0.02 -0.04 0.88 0.82 1y6fA1 PRO 1058 HA -0.94 0.20 0.71 -0.51 4.44 3.90 1y6fA1 PRO 1058 HB2 -0.28 -0.06 -0.01 -0.04 2.28 1.89 1y6fA1 PRO 1058 HB3 -0.62 -0.02 0.02 -0.04 2.02 1.36 1y6fA1 PRO 1058 HG2 -0.08 0.02 0.04 -0.04 2.03 1.97 1y6fA1 PRO 1058 HG3 -0.01 0.04 0.03 -0.04 2.03 2.04 1y6fA1 PRO 1058 HD2 -0.01 0.18 0.24 -0.04 3.68 4.05 1y6fA1 PRO 1058 HD3 0.09 0.15 -0.05 -0.04 3.65 3.80 1y6fA1 VAL 1059 H -0.26 0.24 0.35 -0.55 8.24 8.01 1y6fA1 VAL 1059 HA -0.06 0.12 0.56 -0.75 4.13 4.00 1y6fA1 VAL 1059 HB -0.04 0.06 -0.20 -0.04 2.12 1.90 1y6fA1 VAL 1059 HG13 0.01 -0.06 -0.38 -0.04 0.97 0.50 1y6fA1 VAL 1059 HG23 -0.06 0.10 -0.12 -0.04 0.95 0.82 1y6fA1 ILE 1060 H -0.01 0.30 0.02 -0.55 8.25 8.01 1y6fA1 ILE 1060 HA 0.02 0.01 0.79 -0.75 4.18 4.25 1y6fA1 ILE 1060 HB 0.02 0.04 0.05 -0.04 1.89 1.96 1y6fA1 ILE 1060 HG12 -0.00 0.04 -0.15 -0.04 1.49 1.34 1y6fA1 ILE 1060 HG13 -0.02 -0.07 -0.07 -0.04 1.21 1.02 1y6fA1 ILE 1060 HG23 0.03 -0.01 -0.08 -0.04 0.93 0.82 1y6fA1 ILE 1060 HD13 0.00 0.05 -0.04 -0.04 0.88 0.85 1y6fA1 LEU 1061 H 0.08 0.20 0.11 -0.55 8.37 8.21 1y6fA1 LEU 1061 HA 0.11 0.10 0.23 -0.75 4.35 4.03 1y6fA1 LEU 1061 HB2 0.12 -0.08 0.16 -0.04 1.64 1.80 1y6fA1 LEU 1061 HB3 0.16 0.10 -0.02 -0.04 1.64 1.85 1y6fA1 LEU 1061 HG 0.26 0.08 -0.08 -0.04 1.64 1.86 1y6fA1 LEU 1061 HD13 0.22 0.01 -0.13 -0.04 0.93 0.99 1y6fA1 LEU 1061 HD23 0.24 0.02 0.03 -0.04 0.89 1.14 1y6fA1 ALA 1062 H 0.07 0.04 -0.19 -0.55 8.40 7.77 1y6fA1 ALA 1062 HA 0.07 0.09 0.09 -0.75 4.34 3.84 1y6fA1 ALA 1062 HB3 0.04 0.01 0.01 -0.04 1.41 1.43 1y6fA1 LYS 1063 H 0.05 0.22 -0.54 -0.55 8.42 7.60 1y6fA1 LYS 1063 HA 0.05 0.15 0.63 -0.75 4.32 4.40 1y6fA1 LYS 1063 HB2 0.03 0.03 0.19 -0.04 1.87 2.08 1y6fA1 LYS 1063 HB3 0.03 0.07 -0.15 -0.04 1.79 1.69 1y6fA1 LYS 1063 HG2 0.03 -0.12 -0.09 -0.04 1.46 1.24 1y6fA1 LYS 1063 HG3 0.02 0.03 0.04 -0.04 1.46 1.51 1y6fA1 LYS 1063 HD2 0.02 0.04 0.01 -0.04 1.69 1.71 1y6fA1 LYS 1063 HD3 0.02 -0.01 -0.07 -0.04 1.68 1.58 1y6fA1 LYS 1063 HE2 0.01 0.03 -0.02 -0.04 2.99 2.97 1y6fA1 LYS 1063 HE3 0.01 -0.05 -0.04 -0.04 2.99 2.87 1y6fA1 GLU 1064 H 0.08 0.24 0.03 -0.55 8.60 8.40 1y6fA1 GLU 1064 HA 0.04 0.14 0.55 -0.75 4.29 4.28 1y6fA1 GLU 1064 HB2 0.02 0.03 -0.07 -0.04 2.09 2.03 1y6fA1 GLU 1064 HB3 0.00 -0.07 0.19 -0.04 1.99 2.07 1y6fA1 GLU 1064 HG2 0.01 0.19 0.12 -0.04 2.34 2.62 1y6fA1 GLU 1064 HG3 0.02 -0.04 -0.31 -0.04 2.34 1.96 1y6fA1 TYR 1065 H 0.17 0.19 0.08 -0.55 8.29 8.18 1y6fA1 TYR 1065 HA 0.02 0.05 0.34 -0.75 4.56 4.22 1y6fA1 TYR 1065 HB2 0.02 0.07 0.14 -0.04 3.06 3.25 1y6fA1 TYR 1065 HB3 0.01 -0.03 0.08 -0.04 2.98 3.01 1y6fA1 TYR 1065 HD2 0.01 -0.04 -0.11 -0.04 7.15 6.97 1y6fA1 TYR 1065 HE2 -0.01 0.02 -0.19 -0.04 6.85 6.63 1y6fA1 ASP 1066 H 0.14 0.07 -0.29 -0.55 8.40 7.77 1y6fA1 ASP 1066 HA -0.03 0.13 0.38 -0.75 4.63 4.36 1y6fA1 ASP 1066 HB2 0.05 -0.05 0.06 -0.04 2.71 2.72 1y6fA1 ASP 1066 HB3 0.02 0.08 -0.05 -0.04 2.70 2.72 1y6fA1 LYS 1067 H -0.02 0.09 -0.07 -0.55 8.42 7.88 1y6fA1 LYS 1067 HA -0.05 0.08 0.37 -0.75 4.32 3.97 1y6fA1 LYS 1067 HB2 -0.02 -0.01 0.11 -0.04 1.87 1.91 1y6fA1 LYS 1067 HB3 -0.03 0.01 0.13 -0.04 1.79 1.85 1y6fA1 LYS 1067 HG2 -0.06 0.00 -0.22 -0.04 1.46 1.14 1y6fA1 LYS 1067 HG3 -0.05 0.03 0.00 -0.04 1.46 1.40 1y6fA1 LYS 1067 HD2 -0.03 -0.06 0.02 -0.04 1.69 1.58 1y6fA1 LYS 1067 HD3 -0.03 0.07 -0.01 -0.04 1.68 1.67 1y6fA1 LYS 1067 HE2 -0.02 0.03 0.00 -0.04 2.99 2.97 1y6fA1 LYS 1067 HE3 -0.02 -0.05 0.03 -0.04 2.99 2.91 1y6fA1 ALA 1068 H -0.09 0.46 -0.31 -0.55 8.40 7.91 1y6fA1 ALA 1068 HA -0.16 -0.00 0.26 -0.75 4.34 3.69 1y6fA1 ALA 1068 HB3 -0.12 0.01 -0.05 -0.04 1.41 1.21 1y6fA1 LEU 1069 H -0.38 0.70 0.01 -0.55 8.37 8.15 1y6fA1 LEU 1069 HA -0.27 0.01 0.32 -0.75 4.35 3.66 1y6fA1 LEU 1069 HB2 -0.79 -0.03 0.08 -0.04 1.64 0.86 1y6fA1 LEU 1069 HB3 -0.25 0.03 0.12 -0.04 1.64 1.50 1y6fA1 LEU 1069 HG -0.11 0.02 -0.13 -0.04 1.64 1.39 1y6fA1 LEU 1069 HD13 -0.12 0.03 0.00 -0.04 0.93 0.80 1y6fA1 LEU 1069 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.84 1y6fA1 LYS 1070 H -0.13 0.63 -0.20 -0.55 8.42 8.16 1y6fA1 LYS 1070 HA -0.07 0.03 0.37 -0.75 4.32 3.90 1y6fA1 LYS 1070 HB2 -0.06 0.02 0.07 -0.04 1.87 1.86 1y6fA1 LYS 1070 HB3 -0.06 0.06 0.07 -0.04 1.79 1.82 1y6fA1 LYS 1070 HG2 -0.04 0.02 -0.04 -0.04 1.46 1.36 1y6fA1 LYS 1070 HG3 -0.04 -0.01 0.02 -0.04 1.46 1.39 1y6fA1 LYS 1070 HD2 -0.03 -0.02 -0.04 -0.04 1.69 1.56 1y6fA1 LYS 1070 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.58 1y6fA1 LYS 1070 HE2 -0.03 -0.00 -0.12 -0.04 2.99 2.80 1y6fA1 LYS 1070 HE3 -0.01 -0.05 -0.05 -0.04 2.99 2.84 1y6fA1 LEU 1071 H -0.13 0.47 -0.21 -0.55 8.37 7.96 1y6fA1 LEU 1071 HA -0.08 0.08 0.52 -0.75 4.35 4.11 1y6fA1 LEU 1071 HB2 -0.16 0.07 0.15 -0.04 1.64 1.65 1y6fA1 LEU 1071 HB3 -0.14 -0.06 -0.08 -0.04 1.64 1.32 1y6fA1 LEU 1071 HG -0.07 0.00 -0.04 -0.04 1.64 1.49 1y6fA1 LEU 1071 HD13 -0.08 -0.03 -0.14 -0.04 0.93 0.65 1y6fA1 LEU 1071 HD23 -0.05 -0.00 -0.04 -0.04 0.89 0.76 1y6fA1 VAL 1072 H -0.22 0.58 0.03 -0.55 8.24 8.08 1y6fA1 VAL 1072 HA -0.17 -0.01 0.25 -0.75 4.13 3.45 1y6fA1 VAL 1072 HB -0.21 0.09 -0.01 -0.04 2.12 1.95 1y6fA1 VAL 1072 HG13 -0.08 -0.00 -0.13 -0.04 0.97 0.71 1y6fA1 VAL 1072 HG23 -0.57 -0.04 -0.07 -0.04 0.95 0.22 1y6fA1 ASN 1073 H -0.10 0.25 -0.76 -0.55 8.53 7.38 1y6fA1 ASN 1073 HA -0.05 0.16 0.84 -0.75 4.76 4.96 1y6fA1 ASN 1073 HB2 -0.06 0.20 0.09 -0.04 2.88 3.06 1y6fA1 ASN 1073 HB3 -0.04 -0.08 0.10 -0.04 2.79 2.73 1y6fA1 ASN 1073 HD21 -0.05 0.41 0.16 -0.04 7.03 7.51 1y6fA1 ASN 1073 HD22 -0.08 0.14 0.03 -0.04 7.74 7.79 1y6fA1 ASP 1074 H -0.06 0.51 -0.34 -0.55 8.40 7.96 1y6fA1 ASP 1074 HA -0.03 0.13 0.82 -0.75 4.63 4.79 1y6fA1 ASP 1074 HB2 -0.04 0.07 0.10 -0.04 2.71 2.80 1y6fA1 ASP 1074 HB3 -0.05 0.06 0.26 -0.04 2.70 2.93 1y6fA1 CYS 1075 H -0.03 0.51 -0.20 -0.55 8.50 8.23 1y6fA1 CYS 1075 HA -0.03 -0.02 0.27 -0.75 4.58 4.05 1y6fA1 CYS 1075 HB2 -0.05 -0.04 -0.05 -0.04 2.97 2.79 1y6fA1 CYS 1075 HB3 -0.05 0.11 -0.37 -0.04 2.97 2.63 1y6fA1 ASP 1076 H -0.03 0.68 0.39 -0.55 8.40 8.89 1y6fA1 ASP 1076 HA -0.01 0.29 0.97 -0.75 4.63 5.13 1y6fA1 ASP 1076 HB2 0.00 -0.02 0.24 -0.04 2.71 2.89 1y6fA1 ASP 1076 HB3 0.01 0.05 0.14 -0.04 2.70 2.85 1y6fA1 ILE 1077 H -0.05 0.24 0.37 -0.55 8.25 8.26 1y6fA1 ILE 1077 HA -0.01 0.32 1.01 -0.75 4.18 4.75 1y6fA1 ILE 1077 HB -0.11 -0.10 0.14 -0.04 1.89 1.77 1y6fA1 ILE 1077 HG12 -0.01 0.15 -0.07 -0.04 1.49 1.52 1y6fA1 ILE 1077 HG13 -0.02 -0.13 -0.33 -0.04 1.21 0.69 1y6fA1 ILE 1077 HG23 0.00 0.01 -0.17 -0.04 0.93 0.73 1y6fA1 ILE 1077 HD13 0.01 -0.00 -0.10 -0.04 0.88 0.74 1y6fA1 LEU 1078 H 0.01 0.60 0.15 -0.55 8.37 8.59 1y6fA1 LEU 1078 HA 0.01 0.16 0.96 -0.75 4.35 4.73 1y6fA1 LEU 1078 HB2 0.01 0.08 -0.09 -0.04 1.64 1.60 1y6fA1 LEU 1078 HB3 0.05 -0.06 0.08 -0.04 1.64 1.67 1y6fA1 LEU 1078 HG -0.01 0.17 -0.02 -0.04 1.64 1.74 1y6fA1 LEU 1078 HD13 0.10 -0.03 -0.12 -0.04 0.93 0.84 1y6fA1 LEU 1078 HD23 0.08 -0.02 -0.07 -0.04 0.89 0.85 1y6fA1 ILE 1079 H 0.08 0.72 0.37 -0.55 8.25 8.87 1y6fA1 ILE 1079 HA 0.17 0.39 1.09 -0.75 4.18 5.08 1y6fA1 ILE 1079 HB 0.10 -0.04 0.18 -0.04 1.89 2.08 1y6fA1 ILE 1079 HG12 0.22 0.06 -0.13 -0.04 1.49 1.60 1y6fA1 ILE 1079 HG13 0.05 0.00 -0.37 -0.04 1.21 0.85 1y6fA1 ILE 1079 HG23 0.29 -0.04 -0.21 -0.04 0.93 0.93 1y6fA1 ILE 1079 HD13 0.12 -0.01 -0.13 -0.04 0.88 0.82 1y6fA1 ILE 1080 H 0.18 0.76 0.37 -0.55 8.25 9.01 1y6fA1 ILE 1080 HA 0.19 0.22 1.07 -0.75 4.18 4.90 1y6fA1 ILE 1080 HB 0.14 0.04 0.19 -0.04 1.89 2.22 1y6fA1 ILE 1080 HG12 0.37 -0.05 -0.10 -0.04 1.49 1.67 1y6fA1 ILE 1080 HG13 0.20 0.09 -0.13 -0.04 1.21 1.33 1y6fA1 ILE 1080 HG23 0.05 -0.06 -0.06 -0.04 0.93 0.82 1y6fA1 ILE 1080 HD13 0.23 0.01 -0.07 -0.04 0.88 1.02 1y6fA1 ASN 1081 H 0.10 0.63 0.43 -0.55 8.53 9.15 1y6fA1 ASN 1081 HA 0.21 0.27 1.00 -0.75 4.76 5.48 1y6fA1 ASN 1081 HB2 0.10 -0.02 0.06 -0.04 2.88 2.98 1y6fA1 ASN 1081 HB3 0.16 -0.13 0.10 -0.04 2.79 2.88 1y6fA1 ASN 1081 HD21 0.15 0.05 -0.11 -0.04 7.03 7.08 1y6fA1 ASN 1081 HD22 0.13 -0.03 -0.09 -0.04 7.74 7.71 1y6fA1 SER 1082 H -0.03 0.32 0.24 -0.55 8.46 8.44 1y6fA1 SER 1082 HA -0.01 0.15 0.64 -0.75 4.49 4.52 1y6fA1 SER 1082 HB2 -0.07 0.06 0.07 -0.04 3.95 3.98 1y6fA1 SER 1082 HB3 -0.04 0.11 -0.17 -0.04 3.93 3.78 1y6fA1 VAL 1083 H -0.07 0.22 0.12 -0.55 8.24 7.96 1y6fA1 VAL 1083 HA -0.45 0.17 0.84 -0.75 4.13 3.93 1y6fA1 VAL 1083 HB -0.23 0.22 -0.01 -0.04 2.12 2.05 1y6fA1 VAL 1083 HG13 0.00 0.01 -0.27 -0.04 0.97 0.67 1y6fA1 VAL 1083 HG23 -0.00 -0.03 -0.15 -0.04 0.95 0.73 1y6fA1 PRO 1084 HA -0.10 0.06 0.35 -0.51 4.44 4.24 1y6fA1 PRO 1084 HB2 -0.05 -0.01 0.00 -0.04 2.28 2.19 1y6fA1 PRO 1084 HB3 -0.12 0.01 0.09 -0.04 2.02 1.96 1y6fA1 PRO 1084 HG2 -0.13 0.28 0.12 -0.04 2.03 2.27 1y6fA1 PRO 1084 HG3 -0.18 -0.00 0.04 -0.04 2.03 1.85 1y6fA1 PRO 1084 HD2 -0.89 0.14 0.19 -0.04 3.68 3.08 1y6fA1 PRO 1084 HD3 -1.05 0.10 0.16 -0.04 3.65 2.81 1y6fA1 ALA 1085 H 0.01 0.10 0.22 -0.55 8.40 8.18 1y6fA1 ALA 1085 HA 0.03 0.28 0.72 -0.75 4.34 4.62 1y6fA1 ALA 1085 HB3 0.07 0.00 0.07 -0.04 1.41 1.51 1y6fA1 THR 1086 H 0.04 0.46 0.15 -0.55 8.28 8.39 1y6fA1 THR 1086 HA 0.03 0.03 0.42 -0.75 4.39 4.12 1y6fA1 THR 1086 HB 0.05 0.07 -0.11 -0.04 4.32 4.29 1y6fA1 THR 1086 HG23 0.04 0.01 0.18 -0.04 1.22 1.41 1y6fA1 SER 1087 H 0.02 0.20 0.11 -0.55 8.46 8.24 1y6fA1 SER 1087 HA 0.01 0.03 0.29 -0.75 4.49 4.07 1y6fA1 SER 1087 HB2 -0.00 -0.01 0.18 -0.04 3.95 4.08 1y6fA1 SER 1087 HB3 0.01 0.33 0.11 -0.04 3.93 4.35 1y6fA1 VAL 1088 H 0.02 0.07 0.21 -0.55 8.24 7.99 1y6fA1 VAL 1088 HA 0.01 0.23 0.67 -0.75 4.13 4.29 1y6fA1 VAL 1088 HB 0.03 -0.06 0.05 -0.04 2.12 2.10 1y6fA1 VAL 1088 HG13 0.02 0.04 0.06 -0.04 0.97 1.05 1y6fA1 VAL 1088 HG23 0.03 0.04 0.06 -0.04 0.95 1.03 1y6fA1 GLN 1089 H 0.02 0.01 -0.06 -0.55 8.47 7.89 1y6fA1 GLN 1089 HA 0.02 0.06 0.32 -0.75 4.36 4.01 1y6fA1 GLN 1089 HB2 0.01 0.02 0.15 -0.04 2.15 2.29 1y6fA1 GLN 1089 HB3 0.01 0.41 0.34 -0.04 2.02 2.74 1y6fA1 GLN 1089 HG2 0.03 -0.32 -0.03 -0.04 2.40 2.04 1y6fA1 GLN 1089 HG3 0.02 -0.20 -0.14 -0.04 2.39 2.04 1y6fA1 GLN 1089 HE21 0.02 0.07 0.03 -0.04 6.97 7.04 1y6fA1 GLN 1089 HE22 0.02 -0.05 0.03 -0.04 7.69 7.65 1y6fA1 GLU 1090 H 0.02 0.22 0.12 -0.55 8.60 8.42 1y6fA1 GLU 1090 HA 0.03 0.05 0.33 -0.75 4.29 3.95 1y6fA1 GLU 1090 HB2 0.02 -0.02 0.13 -0.04 2.09 2.18 1y6fA1 GLU 1090 HB3 0.02 0.09 -0.02 -0.04 1.99 2.03 1y6fA1 GLU 1090 HG2 0.02 -0.06 0.10 -0.04 2.34 2.36 1y6fA1 GLU 1090 HG3 0.01 0.06 0.06 -0.04 2.34 2.44 1y6fA1 ALA 1091 H 0.03 0.11 -0.19 -0.55 8.40 7.79 1y6fA1 ALA 1091 HA 0.03 0.10 0.42 -0.75 4.34 4.13 1y6fA1 ALA 1091 HB3 0.03 0.06 0.13 -0.04 1.41 1.58 1y6fA1 THR 1092 H 0.05 0.34 -0.16 -0.55 8.28 7.95 1y6fA1 THR 1092 HA 0.09 -0.02 0.31 -0.75 4.39 4.01 1y6fA1 THR 1092 HB 0.04 0.07 -0.00 -0.04 4.32 4.39 1y6fA1 THR 1092 HG23 0.05 -0.02 -0.11 -0.04 1.22 1.11 1y6fA1 ILE 1093 H 0.06 0.30 -0.10 -0.55 8.25 7.96 1y6fA1 ILE 1093 HA 0.14 0.06 0.38 -0.75 4.18 4.01 1y6fA1 ILE 1093 HB 0.06 -0.04 0.02 -0.04 1.89 1.88 1y6fA1 ILE 1093 HG12 0.07 -0.02 -0.08 -0.04 1.49 1.42 1y6fA1 ILE 1093 HG13 0.09 0.06 -0.11 -0.04 1.21 1.21 1y6fA1 ILE 1093 HG23 0.05 0.03 -0.13 -0.04 0.93 0.85 1y6fA1 ILE 1093 HD13 0.14 -0.01 -0.15 -0.04 0.88 0.82 1y6fA1 ASN 1094 H 0.07 0.31 -0.56 -0.55 8.53 7.80 1y6fA1 ASN 1094 HA 0.05 0.08 0.53 -0.75 4.76 4.67 1y6fA1 ASN 1094 HB2 0.04 0.08 0.20 -0.04 2.88 3.16 1y6fA1 ASN 1094 HB3 0.02 -0.01 -0.03 -0.04 2.79 2.73 1y6fA1 ASN 1094 HD21 0.02 -0.06 -0.07 -0.04 7.03 6.88 1y6fA1 ASN 1094 HD22 0.02 -0.06 -0.19 -0.04 7.74 7.46 1y6fA1 ASN 1095 H 0.10 0.63 0.09 -0.55 8.53 8.80 1y6fA1 ASN 1095 HA 0.13 0.06 0.46 -0.75 4.76 4.65 1y6fA1 ASN 1095 HB2 0.18 -0.01 0.04 -0.04 2.88 3.05 1y6fA1 ASN 1095 HB3 0.34 -0.08 0.07 -0.04 2.79 3.08 1y6fA1 ASN 1095 HD21 -0.01 0.00 0.03 -0.04 7.03 7.02 1y6fA1 ASN 1095 HD22 -0.03 -0.01 0.03 -0.04 7.74 7.68 1y6fA1 TYR 1096 H 0.24 0.49 -0.21 -0.55 8.29 8.26 1y6fA1 TYR 1096 HA 0.14 0.04 0.44 -0.75 4.56 4.43 1y6fA1 TYR 1096 HB2 0.08 -0.06 0.10 -0.04 3.06 3.14 1y6fA1 TYR 1096 HB3 0.06 0.04 0.09 -0.04 2.98 3.13 1y6fA1 TYR 1096 HD2 0.09 0.00 -0.04 -0.04 7.15 7.16 1y6fA1 TYR 1096 HE2 0.01 0.01 -0.01 -0.04 6.85 6.82 1y6fA1 LYS 1097 H 0.10 0.32 -0.40 -0.55 8.42 7.89 1y6fA1 LYS 1097 HA -0.17 0.04 0.49 -0.75 4.32 3.92 1y6fA1 LYS 1097 HB2 0.04 0.16 0.22 -0.04 1.87 2.25 1y6fA1 LYS 1097 HB3 -0.01 0.00 -0.00 -0.04 1.79 1.74 1y6fA1 LYS 1097 HG2 0.01 -0.05 0.07 -0.04 1.46 1.45 1y6fA1 LYS 1097 HG3 0.12 -0.00 0.06 -0.04 1.46 1.60 1y6fA1 LYS 1097 HD2 0.05 0.04 0.01 -0.04 1.69 1.74 1y6fA1 LYS 1097 HD3 0.01 0.03 0.01 -0.04 1.68 1.69 1y6fA1 LYS 1097 HE2 0.02 -0.06 0.04 -0.04 2.99 2.95 1y6fA1 LYS 1097 HE3 0.07 -0.08 -0.01 -0.04 2.99 2.93 1y6fA1 LYS 1098 H 0.06 0.30 -0.29 -0.55 8.42 7.93 1y6fA1 LYS 1098 HA 0.02 0.09 0.43 -0.75 4.32 4.10 1y6fA1 LYS 1098 HB2 -0.02 0.02 0.08 -0.04 1.87 1.91 1y6fA1 LYS 1098 HB3 0.18 0.05 0.09 -0.04 1.79 2.07 1y6fA1 LYS 1098 HG2 0.07 0.02 -0.08 -0.04 1.46 1.43 1y6fA1 LYS 1098 HG3 -0.05 0.01 0.02 -0.04 1.46 1.41 1y6fA1 LYS 1098 HD2 -0.28 -0.03 -0.03 -0.04 1.69 1.32 1y6fA1 LYS 1098 HD3 -1.05 -0.05 -0.04 -0.04 1.68 0.50 1y6fA1 LYS 1098 HE2 -0.26 0.03 -0.05 -0.04 2.99 2.67 1y6fA1 LYS 1098 HE3 -0.15 0.02 -0.03 -0.04 2.99 2.79 1y6fA1 LEU 1099 H 0.06 0.30 -0.37 -0.55 8.37 7.81 1y6fA1 LEU 1099 HA 0.00 0.06 0.38 -0.75 4.35 4.04 1y6fA1 LEU 1099 HB2 0.01 0.07 0.18 -0.04 1.64 1.86 1y6fA1 LEU 1099 HB3 -0.08 0.05 -0.04 -0.04 1.64 1.53 1y6fA1 LEU 1099 HG -0.12 0.06 -0.12 -0.04 1.64 1.41 1y6fA1 LEU 1099 HD13 -0.43 -0.01 -0.08 -0.04 0.93 0.37 1y6fA1 LEU 1099 HD23 0.10 -0.04 -0.13 -0.04 0.89 0.78 1y6fA1 LEU 1100 H -0.20 0.29 -0.24 -0.55 8.37 7.68 1y6fA1 LEU 1100 HA -0.07 0.08 0.35 -0.75 4.35 3.94 1y6fA1 LEU 1100 HB2 -0.16 0.08 0.05 -0.04 1.64 1.57 1y6fA1 LEU 1100 HB3 -0.09 0.06 0.01 -0.04 1.64 1.58 1y6fA1 LEU 1100 HG -0.59 0.05 0.03 -0.04 1.64 1.09 1y6fA1 LEU 1100 HD13 -0.12 -0.02 -0.16 -0.04 0.93 0.60 1y6fA1 LEU 1100 HD23 -0.03 0.01 -0.05 -0.04 0.89 0.78 1y6fA1 ASP 1101 H -0.02 0.15 -0.82 -0.55 8.40 7.16 1y6fA1 ASP 1101 HA -0.02 0.17 0.68 -0.75 4.63 4.70 1y6fA1 ASP 1101 HB2 0.00 0.04 0.08 -0.04 2.71 2.79 1y6fA1 ASP 1101 HB3 -0.00 -0.05 0.05 -0.04 2.70 2.65 1y6fA1 ASN 1102 H 0.01 0.40 -0.34 -0.55 8.53 8.05 1y6fA1 ASN 1102 HA 0.01 0.21 0.84 -0.75 4.76 5.06 1y6fA1 ASN 1102 HB2 0.08 0.01 0.08 -0.04 2.88 3.02 1y6fA1 ASN 1102 HB3 0.04 -0.08 0.17 -0.04 2.79 2.88 1y6fA1 ASN 1102 HD21 0.04 -0.06 -0.04 -0.04 7.03 6.93 1y6fA1 ASN 1102 HD22 0.05 -0.04 -0.00 -0.04 7.74 7.72 1y6fA1 ILE 1103 H -0.01 0.22 -0.25 -0.55 8.25 7.66 1y6fA1 ILE 1103 HA -0.03 0.04 0.62 -0.75 4.18 4.05 1y6fA1 ILE 1103 HB -0.01 0.06 0.10 -0.04 1.89 2.00 1y6fA1 ILE 1103 HG12 -0.03 -0.04 -0.12 -0.04 1.49 1.26 1y6fA1 ILE 1103 HG13 -0.03 0.21 -0.05 -0.04 1.21 1.30 1y6fA1 ILE 1103 HG23 -0.01 0.06 -0.14 -0.04 0.93 0.80 1y6fA1 ILE 1103 HD13 0.00 -0.02 -0.08 -0.04 0.88 0.73 1y6fA1 LYS 1104 H -0.02 0.11 0.09 -0.55 8.42 8.04 1y6fA1 LYS 1104 HA -0.01 0.04 0.23 -0.75 4.32 3.83 1y6fA1 LYS 1104 HB2 -0.01 -0.05 0.12 -0.04 1.87 1.90 1y6fA1 LYS 1104 HB3 -0.01 0.01 0.13 -0.04 1.79 1.88 1y6fA1 LYS 1104 HG2 -0.02 0.09 0.03 -0.04 1.46 1.52 1y6fA1 LYS 1104 HG3 -0.01 -0.07 -0.29 -0.04 1.46 1.05 1y6fA1 LYS 1104 HD2 -0.01 0.07 -0.04 -0.04 1.69 1.67 1y6fA1 LYS 1104 HD3 -0.01 -0.08 0.01 -0.04 1.68 1.56 1y6fA1 LYS 1104 HE2 -0.01 -0.07 0.03 -0.04 2.99 2.90 1y6fA1 LYS 1104 HE3 -0.01 -0.04 0.05 -0.04 2.99 2.94 1y6fA1 PRO 1105 HA -0.00 0.20 0.56 -0.51 4.44 4.68 1y6fA1 PRO 1105 HB2 -0.00 0.02 0.03 -0.04 2.28 2.29 1y6fA1 PRO 1105 HB3 -0.00 0.03 0.14 -0.04 2.02 2.15 1y6fA1 PRO 1105 HG2 -0.00 -0.03 0.10 -0.04 2.03 2.06 1y6fA1 PRO 1105 HG3 -0.00 0.01 0.09 -0.04 2.03 2.08 1y6fA1 PRO 1105 HD2 -0.01 0.04 0.22 -0.04 3.68 3.90 1y6fA1 PRO 1105 HD3 -0.00 0.15 0.17 -0.04 3.65 3.92 1y6fA1 SER 1106 H -0.00 0.05 -0.18 -0.55 8.46 7.78 1y6fA1 SER 1106 HA -0.00 0.13 0.56 -0.75 4.49 4.43 1y6fA1 SER 1106 HB2 -0.00 0.01 0.21 -0.04 3.95 4.12 1y6fA1 SER 1106 HB3 -0.00 -0.07 0.10 -0.04 3.93 3.92 1y6fA1 ILE 1107 H -0.00 0.36 -0.73 -0.55 8.25 7.33 1y6fA1 ILE 1107 HA -0.01 0.29 0.97 -0.75 4.18 4.68 1y6fA1 ILE 1107 HB -0.01 0.18 -0.08 -0.04 1.89 1.94 1y6fA1 ILE 1107 HG12 -0.01 0.13 -0.25 -0.04 1.49 1.31 1y6fA1 ILE 1107 HG13 -0.01 -0.14 -0.47 -0.04 1.21 0.55 1y6fA1 ILE 1107 HG23 -0.01 -0.04 -0.44 -0.04 0.93 0.39 1y6fA1 ILE 1107 HD13 -0.03 0.03 -0.07 -0.04 0.88 0.77 1y6fA1 ARG 1108 H -0.00 0.65 0.31 -0.55 8.46 8.86 1y6fA1 ARG 1108 HA 0.00 0.16 0.88 -0.75 4.34 4.63 1y6fA1 ARG 1108 HB2 -0.01 0.03 0.09 -0.04 1.90 1.97 1y6fA1 ARG 1108 HB3 -0.00 -0.04 0.23 -0.04 1.80 1.95 1y6fA1 ARG 1108 HG2 0.00 -0.11 -0.25 -0.04 1.67 1.27 1y6fA1 ARG 1108 HG3 -0.00 -0.00 0.00 -0.04 1.67 1.62 1y6fA1 ARG 1108 HD2 -0.03 -0.02 0.02 -0.04 3.22 3.16 1y6fA1 ARG 1108 HD3 -0.02 0.10 0.00 -0.04 3.22 3.25 1y6fA1 VAL 1109 H 0.01 0.28 0.25 -0.55 8.24 8.23 1y6fA1 VAL 1109 HA 0.04 0.15 0.81 -0.75 4.13 4.38 1y6fA1 VAL 1109 HB 0.02 0.09 0.24 -0.04 2.12 2.43 1y6fA1 VAL 1109 HG13 0.06 -0.04 -0.20 -0.04 0.97 0.75 1y6fA1 VAL 1109 HG23 0.02 0.04 -0.02 -0.04 0.95 0.94 1y6fA1 VAL 1110 H 0.08 0.98 0.55 -0.55 8.24 9.30 1y6fA1 VAL 1110 HA 0.03 0.20 1.01 -0.75 4.13 4.61 1y6fA1 VAL 1110 HB 0.17 -0.08 0.09 -0.04 2.12 2.26 1y6fA1 VAL 1110 HG13 0.19 -0.03 -0.25 -0.04 0.97 0.84 1y6fA1 VAL 1110 HG23 0.09 0.04 -0.15 -0.04 0.95 0.88 1y6fA1 VAL 1111 H -0.01 0.73 0.34 -0.55 8.24 8.74 1y6fA1 VAL 1111 HA 0.11 0.19 1.21 -0.75 4.13 4.90 1y6fA1 VAL 1111 HB 0.02 0.13 0.18 -0.04 2.12 2.41 1y6fA1 VAL 1111 HG13 0.02 -0.04 -0.31 -0.04 0.97 0.60 1y6fA1 VAL 1111 HG23 0.08 0.01 -0.19 -0.04 0.95 0.80 1y6fA1 TYR 1112 H 0.16 0.53 0.25 -0.55 8.29 8.68 1y6fA1 TYR 1112 HA -0.28 0.14 0.85 -0.75 4.56 4.52 1y6fA1 TYR 1112 HB2 -0.19 -0.01 0.06 -0.04 3.06 2.87 1y6fA1 TYR 1112 HB3 -1.20 -0.07 -0.16 -0.04 2.98 1.51 1y6fA1 TYR 1112 HD2 -1.19 -0.01 -0.23 -0.04 7.15 5.68 1y6fA1 TYR 1112 HE2 -0.54 0.02 -0.17 -0.04 6.85 6.12 1y6fA1 GLN 1113 H -0.32 0.50 0.11 -0.55 8.47 8.21 1y6fA1 GLN 1113 HA -0.23 0.08 0.85 -0.75 4.36 4.31 1y6fA1 GLN 1113 HB2 -0.81 0.11 0.03 -0.04 2.15 1.43 1y6fA1 GLN 1113 HB3 -0.67 0.12 0.31 -0.04 2.02 1.74 1y6fA1 GLN 1113 HG2 -1.13 0.02 0.00 -0.04 2.40 1.25 1y6fA1 GLN 1113 HG3 -0.34 -0.02 -0.07 -0.04 2.39 1.91 1y6fA1 GLN 1113 HE21 0.02 -0.05 0.00 -0.04 6.97 6.90 1y6fA1 GLN 1113 HE22 -0.11 0.13 -0.02 -0.04 7.69 7.66 1y6fA1 HIS 1114 H -0.03 0.21 0.09 -0.55 8.41 8.14 1y6fA1 HIS 1114 HA 0.04 0.23 0.74 -0.75 4.63 4.88 1y6fA1 HIS 1114 HB2 -0.02 -0.02 0.06 -0.04 3.26 3.24 1y6fA1 HIS 1114 HB3 0.05 -0.10 0.07 -0.04 3.20 3.17 1y6fA1 HIS 1114 HD2 -0.06 0.44 0.11 -0.04 6.97 7.42 1y6fA1 HIS 1114 HE1 -2.40 0.06 -0.13 -0.04 7.75 5.24 1y6fA1 ASP 1115 H -0.04 0.08 -0.09 -0.55 8.40 7.79 1y6fA1 ASP 1115 HA -0.17 0.09 0.67 -0.75 4.63 4.46 1y6fA1 ASP 1115 HB2 -0.01 0.08 -0.05 -0.04 2.71 2.69 1y6fA1 ASP 1115 HB3 -0.02 -0.13 0.01 -0.04 2.70 2.53 1y6fA1 HIS 1116 H -0.17 -0.01 0.15 -0.55 8.41 7.83 1y6fA1 HIS 1116 HA -0.12 0.29 1.04 -0.75 4.63 5.08 1y6fA1 HIS 1116 HB2 -0.77 -0.19 0.24 -0.04 3.26 2.49 1y6fA1 HIS 1116 HB3 -1.08 0.02 0.06 -0.04 3.20 2.15 1y6fA1 HIS 1116 HD2 -0.57 -0.09 0.04 -0.04 6.97 6.30 1y6fA1 HIS 1116 HE1 -0.66 0.10 -0.01 -0.04 7.75 7.14 1y6fA1 SER 1117 H -0.32 0.06 0.20 -0.55 8.46 7.85 1y6fA1 SER 1117 HA -0.06 0.15 0.59 -0.75 4.49 4.41 1y6fA1 SER 1117 HB2 -0.32 0.09 0.17 -0.04 3.95 3.85 1y6fA1 SER 1117 HB3 -0.10 -0.04 0.18 -0.04 3.93 3.93 1y6fA1 VAL 1118 H 0.11 0.23 0.22 -0.55 8.24 8.25 1y6fA1 VAL 1118 HA 0.07 0.10 0.34 -0.75 4.13 3.89 1y6fA1 VAL 1118 HB 0.05 -0.02 0.08 -0.04 2.12 2.20 1y6fA1 VAL 1118 HG13 0.02 0.04 -0.12 -0.04 0.97 0.87 1y6fA1 VAL 1118 HG23 0.05 0.02 0.08 -0.04 0.95 1.06 1y6fA1 LEU 1119 H 0.05 0.03 -0.23 -0.55 8.37 7.67 1y6fA1 LEU 1119 HA 0.05 0.17 0.36 -0.75 4.35 4.18 1y6fA1 LEU 1119 HB2 0.06 -0.13 0.05 -0.04 1.64 1.58 1y6fA1 LEU 1119 HB3 0.07 0.07 -0.01 -0.04 1.64 1.73 1y6fA1 LEU 1119 HG 0.05 0.10 0.03 -0.04 1.64 1.78 1y6fA1 LEU 1119 HD13 0.05 -0.02 0.03 -0.04 0.93 0.95 1y6fA1 LEU 1119 HD23 0.07 0.01 0.02 -0.04 0.89 0.95 1y6fA1 SER 1120 H 0.04 0.15 -0.31 -0.55 8.46 7.80 1y6fA1 SER 1120 HA 0.07 0.12 0.52 -0.75 4.49 4.45 1y6fA1 SER 1120 HB2 0.03 0.04 0.15 -0.04 3.95 4.12 1y6fA1 SER 1120 HB3 0.05 0.02 -0.05 -0.04 3.93 3.92 1y6fA1 LEU 1121 H 0.06 0.39 -0.05 -0.55 8.37 8.23 1y6fA1 LEU 1121 HA 0.11 -0.01 0.26 -0.75 4.35 3.96 1y6fA1 LEU 1121 HB2 0.09 0.06 0.05 -0.04 1.64 1.80 1y6fA1 LEU 1121 HB3 0.17 0.05 -0.02 -0.04 1.64 1.80 1y6fA1 LEU 1121 HG 0.08 0.07 -0.29 -0.04 1.64 1.46 1y6fA1 LEU 1121 HD13 0.19 -0.01 -0.16 -0.04 0.93 0.90 1y6fA1 LEU 1121 HD23 0.13 0.01 -0.12 -0.04 0.89 0.87 1y6fA1 ARG 1122 H 0.07 0.39 -0.53 -0.55 8.46 7.84 1y6fA1 ARG 1122 HA 0.10 0.08 0.49 -0.75 4.34 4.26 1y6fA1 ARG 1122 HB2 0.06 0.08 0.05 -0.04 1.90 2.05 1y6fA1 ARG 1122 HB3 0.06 -0.02 0.05 -0.04 1.80 1.86 1y6fA1 ARG 1122 HG2 0.05 0.17 -0.00 -0.04 1.67 1.85 1y6fA1 ARG 1122 HG3 0.04 -0.08 -0.07 -0.04 1.67 1.52 1y6fA1 ARG 1122 HD2 0.05 0.01 0.01 -0.04 3.22 3.25 1y6fA1 ARG 1122 HD3 0.07 0.02 -0.01 -0.04 3.22 3.26 1y6fA1 ARG 1123 H 0.07 0.49 -0.24 -0.55 8.46 8.23 1y6fA1 ARG 1123 HA 0.06 0.15 0.70 -0.75 4.34 4.50 1y6fA1 ARG 1123 HB2 0.07 0.06 0.20 -0.04 1.90 2.18 1y6fA1 ARG 1123 HB3 0.06 -0.14 0.28 -0.04 1.80 1.96 1y6fA1 ARG 1123 HG2 0.06 0.03 0.02 -0.04 1.67 1.74 1y6fA1 ARG 1123 HG3 0.06 0.20 0.13 -0.04 1.67 2.02 1y6fA1 ARG 1123 HD2 0.06 -0.08 0.07 -0.04 3.22 3.24 1y6fA1 ARG 1123 HD3 0.05 -0.01 0.07 -0.04 3.22 3.30 1y6fA1 ASN 1124 H 0.09 0.30 -0.70 -0.55 8.53 7.68 1y6fA1 ASN 1124 HA 0.05 0.20 0.91 -0.75 4.76 5.16 1y6fA1 ASN 1124 HB2 0.13 0.24 0.07 -0.04 2.88 3.28 1y6fA1 ASN 1124 HB3 0.09 -0.10 -0.10 -0.04 2.79 2.64 1y6fA1 ASN 1124 HD21 0.06 -0.13 -0.07 -0.04 7.03 6.85 1y6fA1 ASN 1124 HD22 0.12 0.07 -0.01 -0.04 7.74 7.88 1y6fA1 LEU 1125 H 0.02 0.73 0.12 -0.55 8.37 8.69 1y6fA1 LEU 1125 HA 0.07 0.14 0.89 -0.75 4.35 4.70 1y6fA1 LEU 1125 HB2 0.02 0.07 -0.06 -0.04 1.64 1.63 1y6fA1 LEU 1125 HB3 0.05 -0.02 -0.04 -0.04 1.64 1.59 1y6fA1 LEU 1125 HG 0.04 -0.02 -0.52 -0.04 1.64 1.09 1y6fA1 LEU 1125 HD13 0.03 0.02 -0.05 -0.04 0.93 0.89 1y6fA1 LEU 1125 HD23 0.05 0.05 -0.05 -0.04 0.89 0.90 1y6fA1 GLY 1126 H 0.07 0.19 0.12 -0.55 8.43 8.26 1y6fA1 GLY 1126 HA2 0.08 0.04 0.35 -0.51 4.01 3.97 1y6fA1 GLY 1126 HA3 0.21 0.25 0.68 -0.51 4.01 4.64 1y6fA1 LEU 1127 H 0.08 0.14 -0.35 -0.55 8.37 7.69 1y6fA1 LEU 1127 HA 0.08 0.11 0.24 -0.75 4.35 4.03 1y6fA1 LEU 1127 HB2 0.16 -0.03 -0.07 -0.04 1.64 1.66 1y6fA1 LEU 1127 HB3 0.27 0.05 -0.06 -0.04 1.64 1.87 1y6fA1 LEU 1127 HG 0.54 0.07 -0.17 -0.04 1.64 2.04 1y6fA1 LEU 1127 HD13 0.18 -0.01 -0.02 -0.04 0.93 1.04 1y6fA1 LEU 1127 HD23 0.42 -0.00 -0.04 -0.04 0.89 1.22 1y6fA1 GLU 1128 H -0.16 -0.03 -0.30 -0.55 8.60 7.57 1y6fA1 GLU 1128 HA -1.57 0.19 0.50 -0.75 4.29 2.67 1y6fA1 GLU 1128 HB2 -0.94 0.02 0.02 -0.04 2.09 1.15 1y6fA1 GLU 1128 HB3 -0.36 -0.11 0.05 -0.04 1.99 1.53 1y6fA1 GLU 1128 HG2 -0.54 0.04 -0.37 -0.04 2.34 1.44 1y6fA1 GLU 1128 HG3 -1.47 0.08 -0.02 -0.04 2.34 0.89 1y6fA1 GLU 1129 H -0.16 -0.05 -0.15 -0.55 8.60 7.70 1y6fA1 GLU 1129 HA -0.14 0.14 0.40 -0.75 4.29 3.94 1y6fA1 GLU 1129 HB2 -0.04 0.07 0.01 -0.04 2.09 2.09 1y6fA1 GLU 1129 HB3 -0.07 0.09 0.07 -0.04 1.99 2.04 1y6fA1 GLU 1129 HG2 -0.03 -0.21 0.11 -0.04 2.34 2.18 1y6fA1 GLU 1129 HG3 -0.01 0.03 0.07 -0.04 2.34 2.39 1y6fA1 THR 1130 H -0.01 0.55 -0.14 -0.55 8.28 8.13 1y6fA1 THR 1130 HA 0.03 0.06 0.29 -0.75 4.39 4.02 1y6fA1 THR 1130 HB 0.07 0.00 0.02 -0.04 4.32 4.38 1y6fA1 THR 1130 HG23 0.11 -0.01 -0.18 -0.04 1.22 1.10 1y6fA1 VAL 1131 H -0.09 0.29 -0.37 -0.55 8.24 7.52 1y6fA1 VAL 1131 HA 0.07 0.02 0.41 -0.75 4.13 3.88 1y6fA1 VAL 1131 HB -0.20 0.07 0.11 -0.04 2.12 2.07 1y6fA1 VAL 1131 HG13 0.26 0.00 -0.10 -0.04 0.97 1.09 1y6fA1 VAL 1131 HG23 0.29 0.09 0.05 -0.04 0.95 1.33 1y6fA1 ARG 1132 H -0.11 0.38 -0.13 -0.55 8.46 8.05 1y6fA1 ARG 1132 HA 0.09 0.09 0.45 -0.75 4.34 4.22 1y6fA1 ARG 1132 HB2 -0.08 -0.01 0.14 -0.04 1.90 1.90 1y6fA1 ARG 1132 HB3 -0.02 -0.00 0.03 -0.04 1.80 1.77 1y6fA1 ARG 1132 HG2 0.02 0.05 0.03 -0.04 1.67 1.73 1y6fA1 ARG 1132 HG3 -0.20 0.04 0.05 -0.04 1.67 1.52 1y6fA1 ARG 1132 HD2 -0.14 -0.08 -0.02 -0.04 3.22 2.93 1y6fA1 ARG 1132 HD3 -0.11 0.03 0.01 -0.04 3.22 3.10 1y6fA1 ARG 1133 H -0.02 0.33 -0.25 -0.55 8.46 7.97 1y6fA1 ARG 1133 HA -0.00 0.08 0.57 -0.75 4.34 4.23 1y6fA1 ARG 1133 HB2 -0.03 -0.06 0.08 -0.04 1.90 1.86 1y6fA1 ARG 1133 HB3 -0.01 0.01 0.09 -0.04 1.80 1.85 1y6fA1 ARG 1133 HG2 -0.01 -0.11 0.04 -0.04 1.67 1.54 1y6fA1 ARG 1133 HG3 0.01 -0.03 -0.13 -0.04 1.67 1.47 1y6fA1 ARG 1133 HD2 -0.01 -0.01 0.14 -0.04 3.22 3.30 1y6fA1 ARG 1133 HD3 -0.02 0.19 0.13 -0.04 3.22 3.49 1y6fA1 ALA 1134 H 0.02 0.18 -0.37 -0.55 8.40 7.68 1y6fA1 ALA 1134 HA 0.02 -0.01 0.52 -0.75 4.34 4.11 1y6fA1 ALA 1134 HB3 0.02 0.04 0.08 -0.04 1.41 1.50 1y6fA1 ASP 1135 H 0.00 0.63 0.47 -0.55 8.40 8.96 1y6fA1 ASP 1135 HA -0.01 0.15 0.77 -0.75 4.63 4.79 1y6fA1 ASP 1135 HB2 -0.00 -0.01 0.13 -0.04 2.71 2.79 1y6fA1 ASP 1135 HB3 -0.01 -0.02 0.15 -0.04 2.70 2.78 1y6fA1 VAL 1136 H -0.03 0.25 0.26 -0.55 8.24 8.18 1y6fA1 VAL 1136 HA -0.07 0.17 0.71 -0.75 4.13 4.19 1y6fA1 VAL 1136 HB -0.06 -0.11 0.02 -0.04 2.12 1.94 1y6fA1 VAL 1136 HG13 -0.43 -0.03 -0.19 -0.04 0.97 0.28 1y6fA1 VAL 1136 HG23 -0.05 0.02 -0.19 -0.04 0.95 0.69 1y6fA1 ILE 1137 H -0.21 0.29 0.20 -0.55 8.25 7.97 1y6fA1 ILE 1137 HA -0.15 0.28 1.08 -0.75 4.18 4.64 1y6fA1 ILE 1137 HB -0.06 0.09 0.09 -0.04 1.89 1.96 1y6fA1 ILE 1137 HG12 0.03 -0.01 -0.09 -0.04 1.49 1.37 1y6fA1 ILE 1137 HG13 -0.05 -0.10 -0.54 -0.04 1.21 0.49 1y6fA1 ILE 1137 HG23 0.13 -0.02 -0.05 -0.04 0.93 0.95 1y6fA1 ILE 1137 HD13 0.04 0.06 -0.10 -0.04 0.88 0.83 1y6fA1 PHE 1138 H -0.14 0.48 0.40 -0.55 8.34 8.54 1y6fA1 PHE 1138 HA -0.01 0.47 1.00 -0.75 4.62 5.32 1y6fA1 PHE 1138 HB2 -0.91 -0.14 0.00 -0.04 3.15 2.07 1y6fA1 PHE 1138 HB3 -0.12 -0.04 -0.07 -0.04 3.06 2.78 1y6fA1 PHE 1138 HD2 -0.58 0.03 -0.39 -0.04 7.28 6.30 1y6fA1 PHE 1138 HE2 -0.22 0.03 -0.16 -0.04 7.38 6.98 1y6fA1 PHE 1138 HZ -0.15 0.10 -0.10 -0.04 7.32 7.13 1y6fA1 SER 1139 H 0.33 0.60 0.34 -0.55 8.46 9.18 1y6fA1 SER 1139 HA 0.01 0.20 0.67 -0.75 4.49 4.61 1y6fA1 SER 1139 HB2 0.07 -0.15 0.14 -0.04 3.95 3.98 1y6fA1 SER 1139 HB3 0.09 0.12 -0.20 -0.04 3.93 3.91 1y6fA1 HIS 1140 H 0.00 0.18 0.20 -0.55 8.41 8.25 1y6fA1 HIS 1140 HA -0.33 0.22 0.70 -0.75 4.63 4.47 1y6fA1 HIS 1140 HB2 0.04 -0.02 0.15 -0.04 3.26 3.39 1y6fA1 HIS 1140 HB3 -0.01 0.01 0.17 -0.04 3.20 3.33 1y6fA1 HIS 1140 HD2 -0.28 0.06 -0.13 -0.04 6.97 6.57 1y6fA1 HIS 1140 HE1 -0.33 -0.01 -0.02 -0.04 7.75 7.35 1y6fA1 SER 1141 H 0.12 0.09 -0.15 -0.55 8.46 7.98 1y6fA1 SER 1141 HA 0.05 0.15 0.60 -0.75 4.49 4.55 1y6fA1 SER 1141 HB2 0.08 0.18 -0.45 -0.04 3.95 3.73 1y6fA1 SER 1141 HB3 0.13 -0.16 -0.04 -0.04 3.93 3.82 1y6fA1 ASP 1142 H 0.03 0.24 0.10 -0.55 8.40 8.22 1y6fA1 ASP 1142 HA 0.03 0.13 0.38 -0.75 4.63 4.42 1y6fA1 ASP 1142 HB2 0.00 -0.00 0.08 -0.04 2.71 2.75 1y6fA1 ASP 1142 HB3 -0.01 0.07 0.07 -0.04 2.70 2.79 1y6fA1 ASN 1143 H 0.01 0.05 -0.32 -0.55 8.53 7.73 1y6fA1 ASN 1143 HA -0.03 0.22 0.82 -0.75 4.76 5.02 1y6fA1 ASN 1143 HB2 -0.04 0.09 0.08 -0.04 2.88 2.98 1y6fA1 ASN 1143 HB3 -0.06 -0.08 0.18 -0.04 2.79 2.78 1y6fA1 ASN 1143 HD21 -0.02 0.04 -0.05 -0.04 7.03 6.96 1y6fA1 ASN 1143 HD22 -0.02 0.02 -0.02 -0.04 7.74 7.69 1y6fA1 GLY 1144 H 0.05 0.35 -0.38 -0.55 8.43 7.91 1y6fA1 GLY 1144 HA2 -0.03 0.09 0.37 -0.51 4.01 3.93 1y6fA1 GLY 1144 HA3 0.17 -0.02 0.31 -0.51 4.01 3.96 1y6fA1 ASP 1145 H 0.26 0.15 0.14 -0.55 8.40 8.41 1y6fA1 ASP 1145 HA 0.01 0.13 0.40 -0.75 4.63 4.41 1y6fA1 ASP 1145 HB2 0.23 0.17 0.19 -0.04 2.71 3.26 1y6fA1 ASP 1145 HB3 0.08 -0.01 0.03 -0.04 2.70 2.75 1y6fA1 PHE 1146 H 0.26 0.15 -0.11 -0.55 8.34 8.08 1y6fA1 PHE 1146 HA -0.04 -0.02 0.33 -0.75 4.62 4.14 1y6fA1 PHE 1146 HB2 0.05 -0.04 0.05 -0.04 3.15 3.16 1y6fA1 PHE 1146 HB3 0.05 0.00 0.01 -0.04 3.06 3.08 1y6fA1 PHE 1146 HD2 0.07 -0.05 -0.15 -0.04 7.28 7.11 1y6fA1 PHE 1146 HE2 0.21 0.05 -0.12 -0.04 7.38 7.48 1y6fA1 PHE 1146 HZ 0.22 0.10 -0.09 -0.04 7.32 7.51 1y6fA1 ASN 1147 H 0.13 0.09 -0.45 -0.55 8.53 7.76 1y6fA1 ASN 1147 HA -0.14 0.13 0.51 -0.75 4.76 4.52 1y6fA1 ASN 1147 HB2 0.04 0.02 -0.00 -0.04 2.88 2.89 1y6fA1 ASN 1147 HB3 -0.02 0.15 -0.01 -0.04 2.79 2.87 1y6fA1 ASN 1147 HD21 0.07 0.00 -0.14 -0.04 7.03 6.92 1y6fA1 ASN 1147 HD22 0.01 0.09 0.04 -0.04 7.74 7.84 1y6fA1 LYS 1148 H -0.04 0.44 -0.02 -0.55 8.42 8.24 1y6fA1 LYS 1148 HA -0.08 0.20 0.50 -0.75 4.32 4.18 1y6fA1 LYS 1148 HB2 -0.06 -0.08 -0.05 -0.04 1.87 1.64 1y6fA1 LYS 1148 HB3 -0.07 -0.03 0.02 -0.04 1.79 1.68 1y6fA1 LYS 1148 HG2 -0.04 0.04 -0.04 -0.04 1.46 1.38 1y6fA1 LYS 1148 HG3 -0.06 -0.05 -0.00 -0.04 1.46 1.31 1y6fA1 LYS 1148 HD2 -0.05 -0.03 0.01 -0.04 1.69 1.58 1y6fA1 LYS 1148 HD3 -0.05 0.04 -0.15 -0.04 1.68 1.47 1y6fA1 LYS 1148 HE2 -0.03 0.19 0.10 -0.04 2.99 3.20 1y6fA1 LYS 1148 HE3 -0.04 -0.09 0.00 -0.04 2.99 2.82 1y6fA1 VAL 1149 H -0.12 0.53 -0.07 -0.55 8.24 8.03 1y6fA1 VAL 1149 HA -0.14 0.32 1.14 -0.75 4.13 4.70 1y6fA1 VAL 1149 HB -0.08 0.04 -0.00 -0.04 2.12 2.03 1y6fA1 VAL 1149 HG13 -0.05 0.01 0.08 -0.04 0.97 0.96 1y6fA1 VAL 1149 HG23 -0.12 -0.02 -0.16 -0.04 0.95 0.61 1y6fA1 LEU 1150 H -0.28 0.28 0.07 -0.55 8.37 7.90 1y6fA1 LEU 1150 HA -0.65 0.05 0.42 -0.75 4.35 3.41 1y6fA1 LEU 1150 HB2 -0.53 0.06 0.16 -0.04 1.64 1.29 1y6fA1 LEU 1150 HB3 -1.30 0.06 -0.04 -0.04 1.64 0.32 1y6fA1 LEU 1150 HG -0.15 -0.11 -0.06 -0.04 1.64 1.28 1y6fA1 LEU 1150 HD13 0.12 -0.01 -0.09 -0.04 0.93 0.91 1y6fA1 LEU 1150 HD23 -0.30 0.01 -0.06 -0.04 0.89 0.50 1y6fA1 MET 1151 H -0.50 0.39 -0.17 -0.55 8.47 7.64 1y6fA1 MET 1151 HA -0.19 0.04 0.41 -0.75 4.52 4.03 1y6fA1 MET 1151 HB2 -0.25 0.33 0.13 -0.04 2.15 2.31 1y6fA1 MET 1151 HB3 -0.15 0.04 0.06 -0.04 2.03 1.94 1y6fA1 MET 1151 HG2 -0.86 0.10 0.03 -0.04 2.63 1.85 1y6fA1 MET 1151 HG3 -0.26 -0.02 -0.03 -0.04 2.56 2.21 1y6fA1 MET 1151 HE3 -0.19 0.03 -0.08 -0.04 2.10 1.81 1y6fA1 LYS 1152 H -0.28 0.14 -0.84 -0.55 8.42 6.88 1y6fA1 LYS 1152 HA -0.04 0.20 0.48 -0.75 4.32 4.20 1y6fA1 LYS 1152 HB2 -0.12 0.10 -0.10 -0.04 1.87 1.71 1y6fA1 LYS 1152 HB3 -0.13 0.04 0.00 -0.04 1.79 1.66 1y6fA1 LYS 1152 HG2 -0.06 -0.04 0.01 -0.04 1.46 1.32 1y6fA1 LYS 1152 HG3 -0.05 -0.06 -0.03 -0.04 1.46 1.28 1y6fA1 LYS 1152 HD2 -0.04 0.09 0.01 -0.04 1.69 1.72 1y6fA1 LYS 1152 HD3 -0.06 0.04 0.00 -0.04 1.68 1.62 1y6fA1 LYS 1152 HE2 -0.04 -0.04 0.02 -0.04 2.99 2.89 1y6fA1 LYS 1152 HE3 -0.02 -0.05 0.03 -0.04 2.99 2.91 1y6fA1 GLU 1153 H -0.37 0.27 -0.12 -0.55 8.60 7.84 1y6fA1 GLU 1153 HA -0.10 0.05 0.38 -0.75 4.29 3.87 1y6fA1 GLU 1153 HB2 -0.65 0.09 0.11 -0.04 2.09 1.60 1y6fA1 GLU 1153 HB3 -0.17 -0.05 0.02 -0.04 1.99 1.76 1y6fA1 GLU 1153 HG2 -0.12 -0.01 0.00 -0.04 2.34 2.17 1y6fA1 GLU 1153 HG3 -0.24 0.16 0.02 -0.04 2.34 2.24 1y6fA1 TRP 1154 H -0.11 0.16 -0.46 -0.55 7.97 7.02 1y6fA1 TRP 1154 HA -0.13 0.13 0.79 -0.75 4.62 4.65 1y6fA1 TRP 1154 HB2 0.11 0.08 -0.03 -0.04 3.23 3.35 1y6fA1 TRP 1154 HB3 -0.25 0.01 0.03 -0.04 3.23 2.97 1y6fA1 TRP 1154 HD1 -0.04 0.10 -0.23 -0.04 7.22 7.00 1y6fA1 TRP 1154 HE1 0.01 -0.08 -0.07 -0.04 10.20 10.01 1y6fA1 TRP 1154 HE3 0.09 0.11 -0.09 -0.04 7.59 7.65 1y6fA1 TRP 1154 HZ2 0.06 -0.10 -0.12 -0.04 7.44 7.23 1y6fA1 TRP 1154 HZ3 -0.10 0.02 -0.13 -0.04 7.13 6.88 1y6fA1 TRP 1154 HH2 0.17 -0.09 -0.18 -0.04 7.19 7.04 1y6fA1 TYR 1155 H 0.21 0.13 -0.44 -0.55 8.29 7.64 1y6fA1 TYR 1155 HA 0.06 0.23 0.74 -0.75 4.56 4.83 1y6fA1 TYR 1155 HB2 0.02 0.16 0.19 -0.04 3.06 3.39 1y6fA1 TYR 1155 HB3 0.02 -0.07 0.05 -0.04 2.98 2.93 1y6fA1 TYR 1155 HD2 0.12 0.03 -0.23 -0.04 7.15 7.03 1y6fA1 TYR 1155 HE2 0.12 -0.00 -0.03 -0.04 6.85 6.89 1y6fA1 PRO 1156 HA 0.02 0.12 0.27 -0.51 4.44 4.34 1y6fA1 PRO 1156 HB2 0.01 -0.05 0.05 -0.04 2.28 2.25 1y6fA1 PRO 1156 HB3 0.00 0.02 0.03 -0.04 2.02 2.03 1y6fA1 PRO 1156 HG2 0.01 0.03 -0.10 -0.04 2.03 1.93 1y6fA1 PRO 1156 HG3 0.00 -0.01 -0.06 -0.04 2.03 1.92 1y6fA1 PRO 1156 HD2 -0.01 0.24 -0.30 -0.04 3.68 3.57 1y6fA1 PRO 1156 HD3 0.02 0.15 -0.42 -0.04 3.65 3.35 1y6fA1 GLU 1166 HA 0.04 -0.11 0.19 -0.75 4.29 3.65 1y6fA1 GLU 1166 HB2 0.04 0.01 0.19 -0.04 2.09 2.29 1y6fA1 GLU 1166 HB3 0.02 -0.07 0.10 -0.04 1.99 2.00 1y6fA1 GLU 1166 HG2 0.01 -0.04 0.06 -0.04 2.34 2.32 1y6fA1 GLU 1166 HG3 0.01 -0.04 0.04 -0.04 2.34 2.31 1y6fA1 GLU 1167 H 0.07 0.06 -0.07 -0.55 8.60 8.10 1y6fA1 GLU 1167 HA 0.03 -0.11 0.38 -0.75 4.29 3.84 1y6fA1 GLU 1167 HB2 0.02 -0.11 -0.15 -0.04 2.09 1.81 1y6fA1 GLU 1167 HB3 0.04 0.29 0.11 -0.04 1.99 2.38 1y6fA1 GLU 1167 HG2 -0.01 -0.06 -0.08 -0.04 2.34 2.15 1y6fA1 GLU 1167 HG3 -0.02 0.06 -0.39 -0.04 2.34 1.94 1y6fA1 ALA 1168 H -0.03 0.04 0.12 -0.55 8.40 7.98 1y6fA1 ALA 1168 HA -0.70 0.21 0.73 -0.75 4.34 3.83 1y6fA1 ALA 1168 HB3 -0.21 -0.00 0.10 -0.04 1.41 1.25 1y6fA1 PRO 1169 HA -0.15 0.01 0.35 -0.51 4.44 4.14 1y6fA1 PRO 1169 HB2 -0.18 -0.03 -0.08 -0.04 2.28 1.95 1y6fA1 PRO 1169 HB3 -0.11 0.08 0.07 -0.04 2.02 2.01 1y6fA1 PRO 1169 HG2 -0.14 0.06 0.03 -0.04 2.03 1.94 1y6fA1 PRO 1169 HG3 -0.11 0.10 0.09 -0.04 2.03 2.07 1y6fA1 PRO 1169 HD2 -1.02 0.01 0.12 -0.04 3.68 2.76 1y6fA1 PRO 1169 HD3 -1.14 0.24 0.28 -0.04 3.65 2.99 1y6fA1 THR 1170 H -0.18 0.10 0.16 -0.55 8.28 7.81 1y6fA1 THR 1170 HA -0.23 0.09 0.54 -0.75 4.39 4.04 1y6fA1 THR 1170 HB -0.50 0.01 0.05 -0.04 4.32 3.85 1y6fA1 THR 1170 HG23 -0.58 -0.01 -0.11 -0.04 1.22 0.48 1y6fA1 VAL 1171 H -0.25 0.18 0.09 -0.55 8.24 7.70 1y6fA1 VAL 1171 HA -0.16 0.23 0.79 -0.75 4.13 4.23 1y6fA1 VAL 1171 HB -0.03 -0.05 0.06 -0.04 2.12 2.06 1y6fA1 VAL 1171 HG13 0.13 -0.04 -0.39 -0.04 0.97 0.63 1y6fA1 VAL 1171 HG23 0.04 0.03 -0.25 -0.04 0.95 0.74 1y6fA1 TYR 1172 H -0.19 0.64 0.23 -0.55 8.29 8.43 1y6fA1 TYR 1172 HA -0.03 0.08 0.70 -0.75 4.56 4.56 1y6fA1 TYR 1172 HB2 -0.49 0.03 0.07 -0.04 3.06 2.63 1y6fA1 TYR 1172 HB3 0.03 0.03 0.09 -0.04 2.98 3.08 1y6fA1 TYR 1172 HD2 -0.30 0.01 0.04 -0.04 7.15 6.86 1y6fA1 TYR 1172 HE2 -0.13 0.03 0.01 -0.04 6.85 6.72 1y6fA1 ASN 1173 H 0.22 0.14 0.18 -0.55 8.53 8.52 1y6fA1 ASN 1173 HA 0.20 0.23 0.74 -0.75 4.76 5.17 1y6fA1 ASN 1173 HB2 0.08 -0.07 0.02 -0.04 2.88 2.86 1y6fA1 ASN 1173 HB3 0.10 0.02 0.12 -0.04 2.79 2.98 1y6fA1 ASN 1173 HD21 -0.02 -0.02 0.09 -0.04 7.03 7.04 1y6fA1 ASN 1173 HD22 0.03 -0.15 -0.32 -0.04 7.74 7.26 1y6fA1 PHE 1174 H 0.01 0.41 0.29 -0.55 8.34 8.50 1y6fA1 PHE 1174 HA -0.02 0.21 0.72 -0.75 4.62 4.77 1y6fA1 PHE 1174 HB2 -0.17 0.01 0.04 -0.04 3.15 2.99 1y6fA1 PHE 1174 HB3 -0.10 0.06 -0.27 -0.04 3.06 2.71 1y6fA1 PHE 1174 HD2 -0.09 0.12 -0.26 -0.04 7.28 7.01 1y6fA1 PHE 1174 HE2 -0.55 -0.02 -0.30 -0.04 7.38 6.47 1y6fA1 PHE 1174 HZ -0.80 -0.08 -0.24 -0.04 7.32 6.16 1y6fA1 GLN 1175 H 0.02 0.27 0.14 -0.55 8.47 8.36 1y6fA1 GLN 1175 HA -0.29 0.13 0.84 -0.75 4.36 4.29 1y6fA1 GLN 1175 HB2 -0.16 -0.03 0.04 -0.04 2.15 1.97 1y6fA1 GLN 1175 HB3 -0.15 0.05 -0.04 -0.04 2.02 1.83 1y6fA1 GLN 1175 HG2 -0.14 -0.06 -0.27 -0.04 2.40 1.89 1y6fA1 GLN 1175 HG3 -0.14 -0.06 -0.31 -0.04 2.39 1.85 1y6fA1 GLN 1175 HE21 -0.76 0.42 0.20 -0.04 6.97 6.79 1y6fA1 GLN 1175 HE22 -0.23 -0.10 0.04 -0.04 7.69 7.36 1y6fA1 PRO 1176 HA 0.36 0.13 0.57 -0.51 4.44 4.99 1y6fA1 PRO 1176 HB2 -0.29 -0.05 0.08 -0.04 2.28 1.97 1y6fA1 PRO 1176 HB3 0.18 -0.03 0.06 -0.04 2.02 2.20 1y6fA1 PRO 1176 HG2 -0.28 0.08 0.20 -0.04 2.03 1.99 1y6fA1 PRO 1176 HG3 -0.10 -0.06 0.13 -0.04 2.03 1.96 1y6fA1 PRO 1176 HD2 -0.14 0.07 0.25 -0.04 3.68 3.82 1y6fA1 PRO 1176 HD3 -0.09 0.10 0.09 -0.04 3.65 3.71 1y6fA1 PRO 1177 HA -0.09 0.31 0.55 -0.51 4.44 4.69 1y6fA1 PRO 1177 HB2 -0.32 -0.13 -0.12 -0.04 2.28 1.67 1y6fA1 PRO 1177 HB3 -0.31 0.12 -0.13 -0.04 2.02 1.67 1y6fA1 PRO 1177 HG2 -2.71 -0.02 -0.01 -0.04 2.03 -0.75 1y6fA1 PRO 1177 HG3 -0.69 0.10 0.01 -0.04 2.03 1.41 1y6fA1 PRO 1177 HD2 -0.16 0.01 0.13 -0.04 3.68 3.62 1y6fA1 PRO 1177 HD3 0.09 0.29 0.45 -0.04 3.65 4.44 1y6fA1 MET 1178 H 0.05 0.40 0.25 -0.55 8.47 8.62 1y6fA1 MET 1178 HA 0.25 0.12 0.59 -0.75 4.52 4.73 1y6fA1 MET 1178 HB2 0.54 0.10 -0.16 -0.04 2.15 2.59 1y6fA1 MET 1178 HB3 0.22 0.02 -0.12 -0.04 2.03 2.11 1y6fA1 MET 1178 HG2 0.17 -0.06 -0.60 -0.04 2.63 2.11 1y6fA1 MET 1178 HG3 0.18 -0.02 -0.08 -0.04 2.56 2.60 1y6fA1 MET 1178 HE3 0.17 0.00 -0.36 -0.04 2.10 1.87 1y6fA1 ASP 1179 H 0.15 0.26 0.09 -0.55 8.40 8.35 1y6fA1 ASP 1179 HA 0.10 -0.04 0.73 -0.75 4.63 4.66 1y6fA1 ASP 1179 HB2 0.12 0.10 0.14 -0.04 2.71 3.02 1y6fA1 ASP 1179 HB3 0.11 0.05 0.24 -0.04 2.70 3.05 1y6fA1 ILE 1180 H 0.11 0.29 0.24 -0.55 8.25 8.34 1y6fA1 ILE 1180 HA 0.18 0.08 0.30 -0.75 4.18 3.98 1y6fA1 ILE 1180 HB 0.17 -0.03 0.15 -0.04 1.89 2.13 1y6fA1 ILE 1180 HG12 0.11 0.01 -0.08 -0.04 1.49 1.49 1y6fA1 ILE 1180 HG13 0.08 0.08 0.02 -0.04 1.21 1.35 1y6fA1 ILE 1180 HG23 0.03 0.03 -0.12 -0.04 0.93 0.84 1y6fA1 ILE 1180 HD13 0.01 0.01 -0.18 -0.04 0.88 0.68 1y6fA1 VAL 1181 H 0.20 0.05 -0.12 -0.55 8.24 7.81 1y6fA1 VAL 1181 HA 0.24 0.11 0.38 -0.75 4.13 4.10 1y6fA1 VAL 1181 HB 0.11 -0.04 0.04 -0.04 2.12 2.18 1y6fA1 VAL 1181 HG13 0.03 0.04 -0.10 -0.04 0.97 0.90 1y6fA1 VAL 1181 HG23 0.15 0.01 0.05 -0.04 0.95 1.11 1y6fA1 LYS 1182 H 0.12 0.06 -0.25 -0.55 8.42 7.80 1y6fA1 LYS 1182 HA 0.08 0.09 0.32 -0.75 4.32 4.05 1y6fA1 LYS 1182 HB2 0.08 -0.06 0.09 -0.04 1.87 1.94 1y6fA1 LYS 1182 HB3 0.12 0.08 0.09 -0.04 1.79 2.04 1y6fA1 LYS 1182 HG2 0.10 0.05 -0.21 -0.04 1.46 1.37 1y6fA1 LYS 1182 HG3 0.06 0.03 -0.00 -0.04 1.46 1.50 1y6fA1 LYS 1182 HD2 0.11 -0.04 -0.06 -0.04 1.69 1.66 1y6fA1 LYS 1182 HD3 0.07 0.02 -0.05 -0.04 1.68 1.68 1y6fA1 LYS 1182 HE2 0.07 -0.07 0.03 -0.04 2.99 2.98 1y6fA1 LYS 1182 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.98 1y6fA1 VAL 1183 H 0.19 0.21 -0.26 -0.55 8.24 7.82 1y6fA1 VAL 1183 HA 0.34 0.03 0.36 -0.75 4.13 4.11 1y6fA1 VAL 1183 HB 0.23 0.10 0.10 -0.04 2.12 2.51 1y6fA1 VAL 1183 HG13 0.18 0.04 -0.31 -0.04 0.97 0.84 1y6fA1 VAL 1183 HG23 0.17 -0.03 -0.06 -0.04 0.95 0.99 1y6fA1 ARG 1184 H 0.28 0.44 0.05 -0.55 8.46 8.69 1y6fA1 ARG 1184 HA 0.40 0.29 0.55 -0.75 4.34 4.83 1y6fA1 ARG 1184 HB2 0.29 0.04 0.19 -0.04 1.90 2.37 1y6fA1 ARG 1184 HB3 0.11 -0.10 0.22 -0.04 1.80 1.99 1y6fA1 ARG 1184 HG2 -0.30 0.01 -0.29 -0.04 1.67 1.05 1y6fA1 ARG 1184 HG3 -0.24 0.01 -0.05 -0.04 1.67 1.35 1y6fA1 ARG 1184 HD2 -1.92 0.01 -0.02 -0.04 3.22 1.26 1y6fA1 ARG 1184 HD3 -1.00 -0.07 -0.03 -0.04 3.22 2.08 1y6fA1 SER 1185 H 0.06 0.52 0.03 -0.55 8.46 8.53 1y6fA1 SER 1185 HA -0.02 0.00 0.34 -0.75 4.49 4.06 1y6fA1 SER 1185 HB2 -0.03 -0.10 0.10 -0.04 3.95 3.88 1y6fA1 SER 1185 HB3 0.03 0.17 0.08 -0.04 3.93 4.17 1y6fA1 THR 1186 H 0.13 0.20 -1.08 -0.55 8.28 6.98 1y6fA1 THR 1186 HA -0.08 0.12 0.95 -0.75 4.39 4.62 1y6fA1 THR 1186 HB 0.06 0.08 0.17 -0.04 4.32 4.58 1y6fA1 THR 1186 HG23 -0.70 -0.05 -0.06 -0.04 1.22 0.37 1y6fA1 TYR 1187 H 0.31 0.39 0.29 -0.55 8.29 8.72 1y6fA1 TYR 1187 HA 0.07 0.20 1.12 -0.75 4.56 5.19 1y6fA1 TYR 1187 HB2 0.10 -0.00 0.01 -0.04 3.06 3.13 1y6fA1 TYR 1187 HB3 0.04 0.02 -0.00 -0.04 2.98 3.00 1y6fA1 TYR 1187 HD2 0.06 0.17 -0.03 -0.04 7.15 7.30 1y6fA1 TYR 1187 HE2 0.05 -0.02 -0.02 -0.04 6.85 6.82 1y6fA1 TRP 1188 H 0.41 0.36 0.27 -0.55 7.97 8.46 1y6fA1 TRP 1188 HA 0.05 0.13 0.30 -0.75 4.62 4.35 1y6fA1 TRP 1188 HB2 -0.00 0.01 0.15 -0.04 3.23 3.35 1y6fA1 TRP 1188 HB3 -0.02 -0.06 -0.03 -0.04 3.23 3.09 1y6fA1 TRP 1188 HD1 -0.03 -0.06 -0.29 -0.04 7.22 6.80 1y6fA1 TRP 1188 HE1 -0.04 -0.08 -0.00 -0.04 10.20 10.03 1y6fA1 TRP 1188 HE3 -0.00 0.15 -0.10 -0.04 7.59 7.60 1y6fA1 TRP 1188 HZ2 -0.07 -0.07 -0.01 -0.04 7.44 7.25 1y6fA1 TRP 1188 HZ3 0.10 0.17 0.03 -0.04 7.13 7.39 1y6fA1 TRP 1188 HH2 -0.01 -0.06 -0.21 -0.04 7.19 6.87 1y6fA1 LYS 1189 H -0.40 0.23 0.24 -0.55 8.42 7.93 1y6fA1 LYS 1189 HA 0.07 0.13 0.92 -0.75 4.32 4.68 1y6fA1 LYS 1189 HB2 -0.11 0.16 0.03 -0.04 1.87 1.91 1y6fA1 LYS 1189 HB3 -0.03 -0.17 0.11 -0.04 1.79 1.66 1y6fA1 LYS 1189 HG2 0.00 0.28 -0.16 -0.04 1.46 1.55 1y6fA1 LYS 1189 HG3 -0.02 -0.01 -0.14 -0.04 1.46 1.25 1y6fA1 LYS 1189 HD2 0.02 -0.17 0.03 -0.04 1.69 1.53 1y6fA1 LYS 1189 HD3 0.05 0.16 -0.08 -0.04 1.68 1.77 1y6fA1 LYS 1189 HE2 0.02 -0.05 -0.03 -0.04 2.99 2.89 1y6fA1 LYS 1189 HE3 0.03 -0.12 -0.01 -0.04 2.99 2.85 1y6fA1 ASP 1190 H 0.04 0.10 0.17 -0.55 8.40 8.15 1y6fA1 ASP 1190 HA 0.10 0.11 0.55 -0.75 4.63 4.63 1y6fA1 ASP 1190 HB2 0.05 0.08 0.15 -0.04 2.71 2.95 1y6fA1 ASP 1190 HB3 0.02 -0.07 0.13 -0.04 2.70 2.74 1y6fA1 VAL 1191 H 0.05 0.12 0.20 -0.55 8.24 8.06 1y6fA1 VAL 1191 HA -0.05 0.21 0.31 -0.75 4.13 3.84 1y6fA1 VAL 1191 HB -0.00 -0.05 0.04 -0.04 2.12 2.07 1y6fA1 VAL 1191 HG13 -0.03 0.04 0.14 -0.04 0.97 1.08 1y6fA1 VAL 1191 HG23 0.09 0.01 0.16 -0.04 0.95 1.17 1y6fA1 SER 1192 H -0.02 -0.06 -0.56 -0.55 8.46 7.28 1y6fA1 SER 1192 HA -0.05 0.15 0.58 -0.75 4.49 4.42 1y6fA1 SER 1192 HB2 -0.02 0.03 0.06 -0.04 3.95 3.98 1y6fA1 SER 1192 HB3 -0.02 -0.06 0.06 -0.04 3.93 3.87 1y6fA1 GLU 1193 H -0.04 0.34 -0.07 -0.55 8.60 8.29 1y6fA1 GLU 1193 HA -0.03 0.07 0.50 -0.75 4.29 4.07 1y6fA1 GLU 1193 HB2 -0.03 0.10 0.10 -0.04 2.09 2.21 1y6fA1 GLU 1193 HB3 -0.03 0.03 0.13 -0.04 1.99 2.09 1y6fA1 GLU 1193 HG2 -0.01 0.01 0.03 -0.04 2.34 2.33 1y6fA1 GLU 1193 HG3 -0.01 -0.12 0.02 -0.04 2.34 2.19 1y6fA1 ILE 1194 H -0.10 0.15 -0.61 -0.55 8.25 7.13 1y6fA1 ILE 1194 HA -0.09 0.16 0.57 -0.75 4.18 4.07 1y6fA1 ILE 1194 HB -0.25 0.05 -0.01 -0.04 1.89 1.64 1y6fA1 ILE 1194 HG12 -0.13 0.20 -0.16 -0.04 1.49 1.36 1y6fA1 ILE 1194 HG13 -0.12 -0.09 -0.18 -0.04 1.21 0.77 1y6fA1 ILE 1194 HG23 -0.20 -0.04 -0.58 -0.04 0.93 0.07 1y6fA1 ILE 1194 HD13 -0.07 -0.00 -0.05 -0.04 0.88 0.71 1y6fA1 ASN 1195 H -0.06 0.51 0.04 -0.55 8.53 8.47 1y6fA1 ASN 1195 HA -0.04 0.15 0.78 -0.75 4.76 4.90 1y6fA1 ASN 1195 HB2 -0.02 0.11 0.14 -0.04 2.88 3.07 1y6fA1 ASN 1195 HB3 -0.00 0.02 0.36 -0.04 2.79 3.14 1y6fA1 ASN 1195 HD21 0.01 0.01 0.01 -0.04 7.03 7.02 1y6fA1 ASN 1195 HD22 -0.00 0.04 0.03 -0.04 7.74 7.77 1y6fA1 MET 1196 H -0.07 0.36 0.09 -0.55 8.47 8.30 1y6fA1 MET 1196 HA 0.00 0.01 0.31 -0.75 4.52 4.08 1y6fA1 MET 1196 HB2 0.01 0.00 0.10 -0.04 2.15 2.22 1y6fA1 MET 1196 HB3 0.10 0.01 0.19 -0.04 2.03 2.28 1y6fA1 MET 1196 HG2 -0.18 0.06 0.08 -0.04 2.63 2.54 1y6fA1 MET 1196 HG3 -0.14 0.15 0.10 -0.04 2.56 2.63 1y6fA1 MET 1196 HE3 -0.98 0.01 0.01 -0.04 2.10 1.09 1y6fA1 ASN 1197 H 0.07 0.04 -0.76 -0.55 8.53 7.34 1y6fA1 ASN 1197 HA 0.16 0.25 1.00 -0.75 4.76 5.41 1y6fA1 ASN 1197 HB2 0.06 -0.00 0.02 -0.04 2.88 2.92 1y6fA1 ASN 1197 HB3 0.09 0.01 0.19 -0.04 2.79 3.04 1y6fA1 ASN 1197 HD21 0.04 0.01 -0.04 -0.04 7.03 6.99 1y6fA1 ASN 1197 HD22 0.04 -0.02 -0.02 -0.04 7.74 7.70 1y6fA1 ILE 1198 H 0.13 0.50 0.14 -0.55 8.25 8.46 1y6fA1 ILE 1198 HA 0.11 0.25 1.02 -0.75 4.18 4.82 1y6fA1 ILE 1198 HB 0.06 0.00 0.32 -0.04 1.89 2.23 1y6fA1 ILE 1198 HG12 0.04 0.04 -0.02 -0.04 1.49 1.51 1y6fA1 ILE 1198 HG13 0.05 -0.09 -0.11 -0.04 1.21 1.02 1y6fA1 ILE 1198 HG23 0.06 -0.01 -0.22 -0.04 0.93 0.72 1y6fA1 ILE 1198 HD13 0.01 0.01 0.04 -0.04 0.88 0.90 1y6fA1 ASN 1199 H 0.17 0.71 0.32 -0.55 8.53 9.19 1y6fA1 ASN 1199 HA 0.48 0.20 0.87 -0.75 4.76 5.56 1y6fA1 ASN 1199 HB2 0.17 -0.03 0.16 -0.04 2.88 3.13 1y6fA1 ASN 1199 HB3 0.39 -0.07 -0.04 -0.04 2.79 3.03 1y6fA1 ASN 1199 HD21 0.24 0.05 -0.19 -0.04 7.03 7.09 1y6fA1 ASN 1199 HD22 0.22 0.24 -0.09 -0.04 7.74 8.07 1y6fA1 ARG 1200 H 0.34 0.93 0.36 -0.55 8.46 9.54 1y6fA1 ARG 1200 HA 0.14 0.25 1.16 -0.75 4.34 5.14 1y6fA1 ARG 1200 HB2 0.07 0.04 -0.17 -0.04 1.90 1.81 1y6fA1 ARG 1200 HB3 0.08 -0.01 0.07 -0.04 1.80 1.90 1y6fA1 ARG 1200 HG2 -0.01 -0.06 -0.29 -0.04 1.67 1.27 1y6fA1 ARG 1200 HG3 0.01 -0.01 -0.09 -0.04 1.67 1.54 1y6fA1 ARG 1200 HD2 -0.05 0.00 -0.21 -0.04 3.22 2.92 1y6fA1 ARG 1200 HD3 -0.10 -0.10 -0.19 -0.04 3.22 2.79 1y6fA1 TRP 1201 H 0.26 0.79 0.45 -0.55 7.97 8.92 1y6fA1 TRP 1201 HA 0.10 0.19 0.97 -0.75 4.62 5.13 1y6fA1 TRP 1201 HB2 -0.10 -0.00 -0.00 -0.04 3.23 3.08 1y6fA1 TRP 1201 HB3 -0.11 -0.01 0.16 -0.04 3.23 3.23 1y6fA1 TRP 1201 HD1 -0.02 -0.04 -0.14 -0.04 7.22 6.98 1y6fA1 TRP 1201 HE1 -0.07 -0.01 -0.16 -0.04 10.20 9.93 1y6fA1 TRP 1201 HE3 -0.10 -0.11 -0.42 -0.04 7.59 6.93 1y6fA1 TRP 1201 HZ2 -0.05 0.10 -0.17 -0.04 7.44 7.28 1y6fA1 TRP 1201 HZ3 -0.09 0.02 -0.56 -0.04 7.13 6.45 1y6fA1 TRP 1201 HH2 -0.13 0.02 -0.27 -0.04 7.19 6.77 1y6fA1 ILE 1202 H -0.77 0.53 0.37 -0.55 8.25 7.82 1y6fA1 ILE 1202 HA -0.26 0.35 1.02 -0.75 4.18 4.54 1y6fA1 ILE 1202 HB -0.20 -0.07 0.03 -0.04 1.89 1.61 1y6fA1 ILE 1202 HG12 -0.29 0.12 0.08 -0.04 1.49 1.36 1y6fA1 ILE 1202 HG13 -0.36 -0.13 -0.07 -0.04 1.21 0.61 1y6fA1 ILE 1202 HG23 -0.28 0.00 -0.23 -0.04 0.93 0.38 1y6fA1 ILE 1202 HD13 -0.13 0.03 -0.07 -0.04 0.88 0.67 1y6fA1 GLY 1203 H -0.23 0.59 0.29 -0.55 8.43 8.54 1y6fA1 GLY 1203 HA2 -0.35 -0.07 0.32 -0.51 4.01 3.40 1y6fA1 GLY 1203 HA3 -0.78 0.06 0.57 -0.51 4.01 3.35 1y6fA1 ARG 1204 H -0.09 0.16 0.20 -0.55 8.46 8.18 1y6fA1 ARG 1204 HA 0.00 0.57 0.86 -0.75 4.34 5.01 1y6fA1 ARG 1204 HB2 -0.16 -0.10 -0.04 -0.04 1.90 1.56 1y6fA1 ARG 1204 HB3 -0.08 -0.05 0.11 -0.04 1.80 1.74 1y6fA1 ARG 1204 HG2 -0.08 0.20 0.02 -0.04 1.67 1.77 1y6fA1 ARG 1204 HG3 -0.11 -0.09 -0.28 -0.04 1.67 1.15 1y6fA1 ARG 1204 HD2 -0.05 0.02 0.00 -0.04 3.22 3.15 1y6fA1 ARG 1204 HD3 -0.06 -0.02 -0.01 -0.04 3.22 3.08 1y6fA1 THR 1205 H -0.07 0.17 0.17 -0.55 8.28 8.00 1y6fA1 THR 1205 HA -0.46 0.15 0.56 -0.75 4.39 3.88 1y6fA1 THR 1205 HB -0.09 -0.08 0.29 -0.04 4.32 4.40 1y6fA1 THR 1205 HG23 -0.28 -0.01 -0.17 -0.04 1.22 0.73 1y6fA1 THR 1206 H -0.14 0.48 0.10 -0.55 8.28 8.17 1y6fA1 THR 1206 HA -0.02 0.15 0.66 -0.75 4.39 4.43 1y6fA1 THR 1206 HB -0.18 0.08 -0.23 -0.04 4.32 3.94 1y6fA1 THR 1206 HG23 -1.04 -0.03 -0.06 -0.04 1.22 0.05 1y6fA1 THR 1207 H 0.17 0.24 0.11 -0.55 8.28 8.25 1y6fA1 THR 1207 HA 0.05 0.04 0.38 -0.75 4.39 4.11 1y6fA1 THR 1207 HB 0.11 0.09 0.03 -0.04 4.32 4.50 1y6fA1 THR 1207 HG23 0.17 0.03 0.09 -0.04 1.22 1.47 1y6fA1 TRP 1208 H 0.13 0.08 -0.21 -0.55 7.97 7.42 1y6fA1 TRP 1208 HA -0.12 0.20 0.50 -0.75 4.62 4.44 1y6fA1 TRP 1208 HB2 -0.10 -0.04 0.03 -0.04 3.23 3.08 1y6fA1 TRP 1208 HB3 -0.05 0.06 0.05 -0.04 3.23 3.24 1y6fA1 TRP 1208 HD1 0.00 -0.00 0.02 -0.04 7.22 7.20 1y6fA1 TRP 1208 HE1 0.00 0.01 0.01 -0.04 10.20 10.18 1y6fA1 TRP 1208 HE3 -0.11 -0.07 -0.10 -0.04 7.59 7.27 1y6fA1 TRP 1208 HZ2 0.04 -0.01 0.01 -0.04 7.44 7.45 1y6fA1 TRP 1208 HZ3 -0.08 0.04 -0.03 -0.04 7.13 7.02 1y6fA1 TRP 1208 HH2 0.07 0.03 0.00 -0.04 7.19 7.25 1y6fA1 LYS 1209 H -0.26 0.74 -0.34 -0.55 8.42 8.02 1y6fA1 LYS 1209 HA -0.20 0.04 0.54 -0.75 4.32 3.94 1y6fA1 LYS 1209 HB2 -0.37 0.11 0.20 -0.04 1.87 1.77 1y6fA1 LYS 1209 HB3 0.20 0.03 0.09 -0.04 1.79 2.07 1y6fA1 LYS 1209 HG2 -0.25 -0.22 0.17 -0.04 1.46 1.11 1y6fA1 LYS 1209 HG3 -0.27 0.06 0.14 -0.04 1.46 1.35 1y6fA1 LYS 1209 HD2 -1.01 0.00 -0.08 -0.04 1.69 0.56 1y6fA1 LYS 1209 HD3 -1.18 -0.04 -0.02 -0.04 1.68 0.40 1y6fA1 LYS 1209 HE2 -0.33 -0.03 0.04 -0.04 2.99 2.62 1y6fA1 LYS 1209 HE3 -0.31 0.04 0.04 -0.04 2.99 2.72 1y6fA1 GLY 1210 H -0.12 0.23 -0.43 -0.55 8.43 7.56 1y6fA1 GLY 1210 HA2 -0.23 -0.01 0.31 -0.51 4.01 3.56 1y6fA1 GLY 1210 HA3 -0.10 0.25 0.33 -0.51 4.01 3.97 1y6fA1 PHE 1211 H -0.07 0.09 -0.26 -0.55 8.34 7.55 1y6fA1 PHE 1211 HA -0.90 0.18 0.39 -0.75 4.62 3.54 1y6fA1 PHE 1211 HB2 -0.85 0.07 -0.09 -0.04 3.15 2.23 1y6fA1 PHE 1211 HB3 -0.55 0.08 -0.08 -0.04 3.06 2.46 1y6fA1 PHE 1211 HD2 -0.21 0.07 -0.22 -0.04 7.28 6.88 1y6fA1 PHE 1211 HE2 -0.55 -0.06 -0.38 -0.04 7.38 6.35 1y6fA1 PHE 1211 HZ -0.50 0.05 -0.09 -0.04 7.32 6.74 1y6fA1 TYR 1212 H -1.09 0.06 -0.12 -0.55 8.29 6.60 1y6fA1 TYR 1212 HA 0.03 0.14 0.36 -0.75 4.56 4.34 1y6fA1 TYR 1212 HB2 -0.37 -0.07 0.08 -0.04 3.06 2.66 1y6fA1 TYR 1212 HB3 -0.11 0.10 -0.06 -0.04 2.98 2.86 1y6fA1 TYR 1212 HD2 -0.14 0.01 0.01 -0.04 7.15 6.99 1y6fA1 TYR 1212 HE2 0.02 0.03 -0.07 -0.04 6.85 6.79 1y6fA1 GLN 1213 H -0.00 0.00 -0.26 -0.55 8.47 7.66 1y6fA1 GLN 1213 HA 0.21 0.07 0.33 -0.75 4.36 4.22 1y6fA1 GLN 1213 HB2 0.14 0.08 -0.10 -0.04 2.15 2.22 1y6fA1 GLN 1213 HB3 0.41 0.01 0.07 -0.04 2.02 2.47 1y6fA1 GLN 1213 HG2 -0.02 0.11 -0.00 -0.04 2.40 2.44 1y6fA1 GLN 1213 HG3 0.26 0.03 0.03 -0.04 2.39 2.66 1y6fA1 GLN 1213 HE21 0.05 0.09 0.00 -0.04 6.97 7.08 1y6fA1 GLN 1213 HE22 -0.03 0.00 0.02 -0.04 7.69 7.64 1y6fA1 MET 1214 H -0.18 0.27 -0.60 -0.55 8.47 7.42 1y6fA1 MET 1214 HA -0.05 0.07 0.43 -0.75 4.52 4.21 1y6fA1 MET 1214 HB2 -0.52 0.01 0.05 -0.04 2.15 1.66 1y6fA1 MET 1214 HB3 -0.78 0.12 0.06 -0.04 2.03 1.39 1y6fA1 MET 1214 HG2 -0.55 -0.01 -0.10 -0.04 2.63 1.92 1y6fA1 MET 1214 HG3 -0.31 0.01 -0.20 -0.04 2.56 2.02 1y6fA1 MET 1214 HE3 -0.60 0.02 -0.17 -0.04 2.10 1.31 1y6fA1 PHE 1215 H -0.07 0.40 -0.04 -0.55 8.34 8.07 1y6fA1 PHE 1215 HA 0.04 0.05 0.40 -0.75 4.62 4.35 1y6fA1 PHE 1215 HB2 0.07 0.13 0.22 -0.04 3.15 3.54 1y6fA1 PHE 1215 HB3 0.08 0.03 -0.02 -0.04 3.06 3.11 1y6fA1 PHE 1215 HD2 0.08 -0.05 -0.02 -0.04 7.28 7.24 1y6fA1 PHE 1215 HE2 0.02 -0.04 -0.08 -0.04 7.38 7.24 1y6fA1 PHE 1215 HZ -0.05 -0.04 -0.12 -0.04 7.32 7.07 1y6fA1 ASP 1216 H 0.26 0.49 -0.11 -0.55 8.40 8.49 1y6fA1 ASP 1216 HA 0.17 0.07 0.39 -0.75 4.63 4.51 1y6fA1 ASP 1216 HB2 0.18 0.02 0.05 -0.04 2.71 2.92 1y6fA1 ASP 1216 HB3 0.27 0.05 0.09 -0.04 2.70 3.06 1y6fA1 PHE 1217 H 0.40 0.50 -0.27 -0.55 8.34 8.42 1y6fA1 PHE 1217 HA 0.31 -0.01 0.37 -0.75 4.62 4.54 1y6fA1 PHE 1217 HB2 0.44 0.06 0.14 -0.04 3.15 3.75 1y6fA1 PHE 1217 HB3 0.16 0.12 0.12 -0.04 3.06 3.41 1y6fA1 PHE 1217 HD2 -0.03 -0.00 -0.05 -0.04 7.28 7.15 1y6fA1 PHE 1217 HE2 -0.14 0.14 -0.01 -0.04 7.38 7.33 1y6fA1 PHE 1217 HZ 0.15 0.02 -0.12 -0.04 7.32 7.33 1y6fA1 HIS 1218 H 0.29 0.45 -0.35 -0.55 8.41 8.26 1y6fA1 HIS 1218 HA -0.09 -0.07 0.61 -0.75 4.63 4.33 1y6fA1 HIS 1218 HB2 0.04 0.02 0.06 -0.04 3.26 3.34 1y6fA1 HIS 1218 HB3 0.11 0.12 0.19 -0.04 3.20 3.57 1y6fA1 HIS 1218 HD2 0.09 -0.00 -0.08 -0.04 6.97 6.93 1y6fA1 HIS 1218 HE1 0.03 0.14 -0.02 -0.04 7.75 7.86 1y6fA1 GLU 1219 H 0.13 0.56 0.04 -0.55 8.60 8.79 1y6fA1 GLU 1219 HA -0.16 0.06 0.46 -0.75 4.29 3.90 1y6fA1 GLU 1219 HB2 0.07 -0.02 0.14 -0.04 2.09 2.25 1y6fA1 GLU 1219 HB3 0.05 0.05 0.16 -0.04 1.99 2.21 1y6fA1 GLU 1219 HG2 -0.05 0.01 -0.18 -0.04 2.34 2.08 1y6fA1 GLU 1219 HG3 -0.04 -0.00 0.09 -0.04 2.34 2.34 1y6fA1 LYS 1220 H -0.05 0.23 -0.37 -0.55 8.42 7.68 1y6fA1 LYS 1220 HA -0.29 0.21 0.84 -0.75 4.32 4.32 1y6fA1 LYS 1220 HB2 0.06 0.04 0.03 -0.04 1.87 1.96 1y6fA1 LYS 1220 HB3 -0.55 -0.06 0.02 -0.04 1.79 1.16 1y6fA1 LYS 1220 HG2 -0.11 0.02 -0.05 -0.04 1.46 1.28 1y6fA1 LYS 1220 HG3 -0.01 0.02 -0.06 -0.04 1.46 1.37 1y6fA1 LYS 1220 HD2 0.16 -0.03 -0.06 -0.04 1.69 1.73 1y6fA1 LYS 1220 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.60 1y6fA1 LYS 1220 HE2 -0.00 0.02 -0.02 -0.04 2.99 2.95 1y6fA1 LYS 1220 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 1y6fA1 PHE 1221 H -0.27 0.23 -0.11 -0.55 8.34 7.64 1y6fA1 PHE 1221 HA -0.58 0.24 1.00 -0.75 4.62 4.52 1y6fA1 PHE 1221 HB2 -1.36 0.07 0.15 -0.04 3.15 1.98 1y6fA1 PHE 1221 HB3 -1.71 -0.02 -0.03 -0.04 3.06 1.27 1y6fA1 PHE 1221 HD2 -0.32 0.04 -0.06 -0.04 7.28 6.91 1y6fA1 PHE 1221 HE2 0.02 -0.05 -0.09 -0.04 7.38 7.23 1y6fA1 PHE 1221 HZ 0.01 -0.10 -0.11 -0.04 7.32 7.08 1y6fA1 LEU 1222 H -0.50 0.27 0.25 -0.55 8.37 7.84 1y6fA1 LEU 1222 HA -0.18 0.10 0.42 -0.75 4.35 3.94 1y6fA1 LEU 1222 HB2 -0.00 -0.06 0.12 -0.04 1.64 1.66 1y6fA1 LEU 1222 HB3 0.10 0.04 -0.14 -0.04 1.64 1.60 1y6fA1 LEU 1222 HG -0.46 -0.03 -0.02 -0.04 1.64 1.08 1y6fA1 LEU 1222 HD13 0.28 -0.01 -0.13 -0.04 0.93 1.03 1y6fA1 LEU 1222 HD23 0.28 0.02 -0.09 -0.04 0.89 1.06 1y6fA1 LYS 1223 H -0.53 0.50 0.14 -0.55 8.42 7.97 1y6fA1 LYS 1223 HA -0.17 0.18 0.48 -0.75 4.32 4.06 1y6fA1 LYS 1223 HB2 -1.21 -0.06 0.06 -0.04 1.87 0.62 1y6fA1 LYS 1223 HB3 -0.50 0.21 0.17 -0.04 1.79 1.62 1y6fA1 LYS 1223 HG2 -0.16 -0.02 -0.04 -0.04 1.46 1.20 1y6fA1 LYS 1223 HG3 -0.14 -0.02 -0.27 -0.04 1.46 0.98 1y6fA1 LYS 1223 HD2 -0.01 -0.14 0.16 -0.04 1.69 1.65 1y6fA1 LYS 1223 HD3 0.06 0.33 0.07 -0.04 1.68 2.10 1y6fA1 LYS 1223 HE2 -0.02 0.00 -0.07 -0.04 2.99 2.87 1y6fA1 LYS 1223 HE3 0.04 -0.06 -0.28 -0.04 2.99 2.66 1y6fA1 PRO 1224 HA -0.11 0.02 0.31 -0.51 4.44 4.14 1y6fA1 PRO 1224 HB2 -0.24 0.10 -0.18 -0.04 2.28 1.92 1y6fA1 PRO 1224 HB3 -0.16 -0.03 0.03 -0.04 2.02 1.81 1y6fA1 PRO 1224 HG2 -0.30 0.04 -0.36 -0.04 2.03 1.37 1y6fA1 PRO 1224 HG3 -0.20 0.04 -0.03 -0.04 2.03 1.81 1y6fA1 PRO 1224 HD2 -0.34 -0.07 -0.79 -0.04 3.68 2.44 1y6fA1 PRO 1224 HD3 -0.33 0.20 -0.05 -0.04 3.65 3.43 1y6fA1 ALA 1225 H -0.13 0.29 -0.81 -0.55 8.40 7.20 1y6fA1 ALA 1225 HA 0.02 0.12 0.88 -0.75 4.34 4.61 1y6fA1 ALA 1225 HB3 0.16 -0.02 0.10 -0.04 1.41 1.60 1y6fA1 GLY 1226 H -0.02 0.63 0.02 -0.55 8.43 8.51 1y6fA1 GLY 1226 HA2 0.02 -0.09 0.38 -0.51 4.01 3.81 1y6fA1 GLY 1226 HA3 0.03 0.07 0.67 -0.51 4.01 4.27 1y6fA1 LYS 1227 H 0.04 0.53 0.04 -0.55 8.42 8.48 1y6fA1 LYS 1227 HA 0.10 0.15 0.65 -0.75 4.32 4.46 1y6fA1 LYS 1227 HB2 0.10 -0.22 -0.10 -0.04 1.87 1.61 1y6fA1 LYS 1227 HB3 0.16 0.05 0.06 -0.04 1.79 2.02 1y6fA1 LYS 1227 HG2 0.15 0.06 -0.04 -0.04 1.46 1.58 1y6fA1 LYS 1227 HG3 0.25 -0.10 -0.02 -0.04 1.46 1.54 1y6fA1 LYS 1227 HD2 0.15 0.03 0.02 -0.04 1.69 1.85 1y6fA1 LYS 1227 HD3 0.12 0.04 -0.22 -0.04 1.68 1.57 1y6fA1 LYS 1227 HE2 0.17 0.08 -0.07 -0.04 2.99 3.13 1y6fA1 LYS 1227 HE3 0.21 -0.08 -0.07 -0.04 2.99 3.01 1y6fA1 SER 1228 H 0.12 0.69 0.34 -0.55 8.46 9.06 1y6fA1 SER 1228 HA 0.15 0.14 0.79 -0.75 4.49 4.81 1y6fA1 SER 1228 HB2 0.07 -0.05 0.07 -0.04 3.95 4.00 1y6fA1 SER 1228 HB3 0.05 -0.02 -0.09 -0.04 3.93 3.83 1y6fA1 THR 1229 H -0.01 0.26 0.09 -0.55 8.28 8.07 1y6fA1 THR 1229 HA 0.02 0.36 1.24 -0.75 4.39 5.26 1y6fA1 THR 1229 HB -0.76 -0.03 0.03 -0.04 4.32 3.52 1y6fA1 THR 1229 HG23 -0.18 -0.02 -0.28 -0.04 1.22 0.69 1y6fA1 VAL 1230 H 0.02 0.73 0.38 -0.55 8.24 8.81 1y6fA1 VAL 1230 HA -0.05 0.28 1.02 -0.75 4.13 4.63 1y6fA1 VAL 1230 HB 0.01 -0.01 0.08 -0.04 2.12 2.16 1y6fA1 VAL 1230 HG13 -0.04 -0.01 -0.21 -0.04 0.97 0.67 1y6fA1 VAL 1230 HG23 -0.04 0.02 -0.18 -0.04 0.95 0.70 1y6fA1 MET 1231 H -0.03 0.66 0.16 -0.55 8.47 8.71 1y6fA1 MET 1231 HA 0.28 0.21 1.03 -0.75 4.52 5.28 1y6fA1 MET 1231 HB2 -0.16 -0.03 -0.01 -0.04 2.15 1.92 1y6fA1 MET 1231 HB3 -0.17 -0.05 -0.12 -0.04 2.03 1.65 1y6fA1 MET 1231 HG2 -0.31 0.01 -0.14 -0.04 2.63 2.16 1y6fA1 MET 1231 HG3 -0.24 0.01 -0.45 -0.04 2.56 1.83 1y6fA1 MET 1231 HE3 -1.69 -0.00 -0.10 -0.04 2.10 0.26 1y6fA1 GLU 1232 H 0.19 0.92 0.30 -0.55 8.60 9.47 1y6fA1 GLU 1232 HA 0.06 0.10 1.05 -0.75 4.29 4.75 1y6fA1 GLU 1232 HB2 -0.19 0.03 0.11 -0.04 2.09 2.00 1y6fA1 GLU 1232 HB3 -0.09 -0.08 -0.08 -0.04 1.99 1.70 1y6fA1 GLU 1232 HG2 -0.05 0.01 -0.15 -0.04 2.34 2.10 1y6fA1 GLU 1232 HG3 -0.06 0.08 -0.16 -0.04 2.34 2.15 1y6fA1 GLY 1233 H 0.13 0.49 0.02 -0.55 8.43 8.52 1y6fA1 GLY 1233 HA2 0.11 -0.16 0.28 -0.51 4.01 3.73 1y6fA1 GLY 1233 HA3 0.20 0.23 0.88 -0.51 4.01 4.80 1y6fA1 LEU 1234 H 0.07 0.27 -0.04 -0.55 8.37 8.12 1y6fA1 LEU 1234 HA 0.04 -0.11 0.59 -0.75 4.35 4.12 1y6fA1 LEU 1234 HB2 -0.00 0.08 -0.04 -0.04 1.64 1.64 1y6fA1 LEU 1234 HB3 0.10 -0.00 -0.19 -0.04 1.64 1.50 1y6fA1 LEU 1234 HG -0.11 0.03 -0.28 -0.04 1.64 1.23 1y6fA1 LEU 1234 HD13 -0.07 0.00 -0.16 -0.04 0.93 0.66 1y6fA1 LEU 1234 HD23 -0.20 -0.03 -0.31 -0.04 0.89 0.31 1y6fA1 GLU 1235 H -0.01 -0.00 0.29 -0.55 8.60 8.33 1y6fA1 GLU 1235 HA 0.06 0.23 0.86 -0.75 4.29 4.68 1y6fA1 GLU 1235 HB2 -0.02 -0.00 0.06 -0.04 2.09 2.08 1y6fA1 GLU 1235 HB3 -0.00 0.12 -0.01 -0.04 1.99 2.05 1y6fA1 GLU 1235 HG2 -0.04 -0.09 -0.18 -0.04 2.34 1.99 1y6fA1 GLU 1235 HG3 -0.02 0.02 0.02 -0.04 2.34 2.32 1y6fA1 ARG 1236 H -0.25 0.19 0.05 -0.55 8.46 7.90 1y6fA1 ARG 1236 HA -0.55 0.13 0.67 -0.75 4.34 3.84 1y6fA1 ARG 1236 HB2 -0.47 -0.01 0.16 -0.04 1.90 1.53 1y6fA1 ARG 1236 HB3 -0.46 0.05 0.15 -0.04 1.80 1.50 1y6fA1 ARG 1236 HG2 -3.55 0.04 -0.07 -0.04 1.67 -1.95 1y6fA1 ARG 1236 HG3 -1.39 -0.04 -0.14 -0.04 1.67 0.06 1y6fA1 ARG 1236 HD2 -0.56 0.02 -0.01 -0.04 3.22 2.62 1y6fA1 ARG 1236 HD3 -0.92 0.05 -0.06 -0.04 3.22 2.25 1y6fA1 SER 1237 H -0.03 0.44 -0.30 -0.55 8.46 8.03 1y6fA1 SER 1237 HA -0.01 0.13 0.38 -0.75 4.49 4.24 1y6fA1 SER 1237 HB2 -0.01 0.00 0.11 -0.04 3.95 4.01 1y6fA1 SER 1237 HB3 0.01 -0.08 0.09 -0.04 3.93 3.91 1y6fA1 PRO 1238 HA 0.06 0.17 0.51 -0.51 4.44 4.66 1y6fA1 PRO 1238 HB2 0.05 0.05 0.05 -0.04 2.28 2.39 1y6fA1 PRO 1238 HB3 0.03 0.10 0.16 -0.04 2.02 2.27 1y6fA1 PRO 1238 HG2 0.04 -0.05 0.12 -0.04 2.03 2.11 1y6fA1 PRO 1238 HG3 0.03 0.11 0.11 -0.04 2.03 2.25 1y6fA1 PRO 1238 HD2 0.02 0.05 0.26 -0.04 3.68 3.98 1y6fA1 PRO 1238 HD3 0.02 0.20 0.21 -0.04 3.65 4.04 1y6fA1 ALA 1239 H 0.05 0.14 -0.23 -0.55 8.40 7.80 1y6fA1 ALA 1239 HA 0.07 0.09 0.38 -0.75 4.34 4.13 1y6fA1 ALA 1239 HB3 0.03 0.01 0.08 -0.04 1.41 1.50 1y6fA1 PHE 1240 H 0.15 0.53 -0.92 -0.55 8.34 7.55 1y6fA1 PHE 1240 HA -0.08 0.06 0.53 -0.75 4.62 4.37 1y6fA1 PHE 1240 HB2 -0.09 -0.08 0.09 -0.04 3.15 3.04 1y6fA1 PHE 1240 HB3 -0.05 0.22 -0.10 -0.04 3.06 3.09 1y6fA1 PHE 1240 HD2 -0.09 0.02 -0.17 -0.04 7.28 7.01 1y6fA1 PHE 1240 HE2 -0.05 0.04 -0.13 -0.04 7.38 7.19 1y6fA1 PHE 1240 HZ -0.51 0.06 -0.11 -0.04 7.32 6.72 1y6fA1 ILE 1241 H 0.11 0.57 -0.09 -0.55 8.25 8.28 1y6fA1 ILE 1241 HA 0.08 0.09 0.41 -0.75 4.18 4.01 1y6fA1 ILE 1241 HB 0.05 -0.01 0.06 -0.04 1.89 1.95 1y6fA1 ILE 1241 HG12 0.06 0.01 0.09 -0.04 1.49 1.60 1y6fA1 ILE 1241 HG13 0.07 0.03 0.17 -0.04 1.21 1.44 1y6fA1 ILE 1241 HG23 0.07 0.02 0.12 -0.04 0.93 1.11 1y6fA1 ILE 1241 HD13 0.05 0.01 -0.15 -0.04 0.88 0.76 1y6fA1 ALA 1242 H 0.04 0.20 -0.39 -0.55 8.40 7.70 1y6fA1 ALA 1242 HA 0.05 0.06 0.34 -0.75 4.34 4.05 1y6fA1 ALA 1242 HB3 0.19 0.04 0.03 -0.04 1.41 1.62 1y6fA1 ILE 1243 H -0.21 0.44 -0.46 -0.55 8.25 7.46 1y6fA1 ILE 1243 HA 0.01 0.08 0.50 -0.75 4.18 4.01 1y6fA1 ILE 1243 HB -1.03 0.19 0.06 -0.04 1.89 1.08 1y6fA1 ILE 1243 HG12 -0.20 -0.02 -0.06 -0.04 1.49 1.16 1y6fA1 ILE 1243 HG13 0.08 0.03 -0.05 -0.04 1.21 1.23 1y6fA1 ILE 1243 HG23 -0.26 0.01 -0.13 -0.04 0.93 0.51 1y6fA1 ILE 1243 HD13 0.15 -0.03 -0.18 -0.04 0.88 0.78 1y6fA1 LYS 1244 H -0.11 0.33 -0.27 -0.55 8.42 7.81 1y6fA1 LYS 1244 HA 0.01 0.12 0.53 -0.75 4.32 4.22 1y6fA1 LYS 1244 HB2 0.02 0.05 0.18 -0.04 1.87 2.08 1y6fA1 LYS 1244 HB3 0.05 -0.01 0.07 -0.04 1.79 1.85 1y6fA1 LYS 1244 HG2 -0.06 0.09 0.19 -0.04 1.46 1.64 1y6fA1 LYS 1244 HG3 0.11 -0.08 0.07 -0.04 1.46 1.52 1y6fA1 LYS 1244 HD2 0.18 0.02 -0.11 -0.04 1.69 1.74 1y6fA1 LYS 1244 HD3 0.53 -0.03 -0.10 -0.04 1.68 2.03 1y6fA1 LYS 1244 HE2 0.16 -0.03 -0.02 -0.04 2.99 3.06 1y6fA1 LYS 1244 HE3 0.13 0.03 -0.01 -0.04 2.99 3.10 1y6fA1 GLU 1245 H -0.00 0.41 0.09 -0.55 8.60 8.55 1y6fA1 GLU 1245 HA -0.00 0.07 0.38 -0.75 4.29 3.98 1y6fA1 GLU 1245 HB2 0.01 0.01 0.07 -0.04 2.09 2.14 1y6fA1 GLU 1245 HB3 0.00 0.01 0.01 -0.04 1.99 1.97 1y6fA1 GLU 1245 HG2 0.01 0.01 0.02 -0.04 2.34 2.35 1y6fA1 GLU 1245 HG3 0.02 0.10 -0.01 -0.04 2.34 2.41 1y6fA1 LYS 1246 H -0.01 0.25 -0.47 -0.55 8.42 7.64 1y6fA1 LYS 1246 HA -0.03 0.12 0.51 -0.75 4.32 4.16 1y6fA1 LYS 1246 HB2 -0.01 0.00 0.08 -0.04 1.87 1.91 1y6fA1 LYS 1246 HB3 -0.06 -0.03 0.11 -0.04 1.79 1.77 1y6fA1 LYS 1246 HG2 -0.05 -0.02 -0.04 -0.04 1.46 1.31 1y6fA1 LYS 1246 HG3 0.00 0.23 0.10 -0.04 1.46 1.76 1y6fA1 LYS 1246 HD2 -0.26 -0.07 -0.02 -0.04 1.69 1.30 1y6fA1 LYS 1246 HD3 -0.20 0.01 0.00 -0.04 1.68 1.45 1y6fA1 LYS 1246 HE2 -0.11 0.03 -0.02 -0.04 2.99 2.85 1y6fA1 LYS 1246 HE3 -0.12 -0.05 -0.01 -0.04 2.99 2.76 1y6fA1 GLY 1247 H -0.03 0.40 -0.77 -0.55 8.43 7.48 1y6fA1 GLY 1247 HA2 -0.04 0.05 0.26 -0.51 4.01 3.76 1y6fA1 GLY 1247 HA3 -0.04 -0.03 0.28 -0.51 4.01 3.70 1y6fA1 ILE 1248 H -0.07 0.23 -0.29 -0.55 8.25 7.57 1y6fA1 ILE 1248 HA -0.12 0.16 0.66 -0.75 4.18 4.12 1y6fA1 ILE 1248 HB -0.25 -0.06 0.07 -0.04 1.89 1.62 1y6fA1 ILE 1248 HG12 -0.12 0.04 -0.01 -0.04 1.49 1.37 1y6fA1 ILE 1248 HG13 -0.08 0.10 -0.12 -0.04 1.21 1.06 1y6fA1 ILE 1248 HG23 -0.83 -0.00 -0.15 -0.04 0.93 -0.09 1y6fA1 ILE 1248 HD13 0.02 -0.06 -0.02 -0.04 0.88 0.78 1y6fA1 PRO 1249 HA -0.11 0.04 0.45 -0.51 4.44 4.31 1y6fA1 PRO 1249 HB2 0.03 -0.07 0.09 -0.04 2.28 2.29 1y6fA1 PRO 1249 HB3 -0.01 0.05 0.10 -0.04 2.02 2.12 1y6fA1 PRO 1249 HG2 -0.01 0.02 0.12 -0.04 2.03 2.11 1y6fA1 PRO 1249 HG3 -0.04 0.10 0.12 -0.04 2.03 2.17 1y6fA1 PRO 1249 HD2 -0.08 0.01 0.23 -0.04 3.68 3.79 1y6fA1 PRO 1249 HD3 -0.08 0.29 0.39 -0.04 3.65 4.21 1y6fA1 TYR 1250 H -0.16 0.27 0.26 -0.55 8.29 8.11 1y6fA1 TYR 1250 HA 0.12 0.13 0.45 -0.75 4.56 4.50 1y6fA1 TYR 1250 HB2 0.23 -0.07 0.10 -0.04 3.06 3.29 1y6fA1 TYR 1250 HB3 0.02 0.15 -0.33 -0.04 2.98 2.77 1y6fA1 TYR 1250 HD2 0.09 0.07 -0.27 -0.04 7.15 6.99 1y6fA1 TYR 1250 HE2 0.15 -0.04 -0.07 -0.04 6.85 6.85 1y6fA1 GLU 1251 H 0.46 0.32 0.11 -0.55 8.60 8.94 1y6fA1 GLU 1251 HA 0.24 0.12 0.78 -0.75 4.29 4.68 1y6fA1 GLU 1251 HB2 0.22 0.03 -0.24 -0.04 2.09 2.06 1y6fA1 GLU 1251 HB3 0.43 -0.05 0.20 -0.04 1.99 2.54 1y6fA1 GLU 1251 HG2 0.38 -0.01 0.04 -0.04 2.34 2.70 1y6fA1 GLU 1251 HG3 0.07 0.04 0.02 -0.04 2.34 2.43 1y6fA1 TYR 1252 H 0.66 0.10 0.04 -0.55 8.29 8.53 1y6fA1 TYR 1252 HA 0.18 0.15 0.55 -0.75 4.56 4.68 1y6fA1 TYR 1252 HB2 0.24 -0.01 0.09 -0.04 3.06 3.33 1y6fA1 TYR 1252 HB3 0.07 -0.01 -0.02 -0.04 2.98 2.99 1y6fA1 TYR 1252 HD2 -0.16 -0.02 -0.16 -0.04 7.15 6.76 1y6fA1 TYR 1252 HE2 -0.17 -0.08 -0.16 -0.04 6.85 6.40 1y6fA1 TYR 1253 H -0.23 0.40 0.33 -0.55 8.29 8.24 1y6fA1 TYR 1253 HA 0.08 0.09 0.78 -0.75 4.56 4.75 1y6fA1 TYR 1253 HB2 -0.07 -0.02 0.04 -0.04 3.06 2.98 1y6fA1 TYR 1253 HB3 -0.01 0.10 -0.07 -0.04 2.98 2.96 1y6fA1 TYR 1253 HD2 0.02 0.19 -0.15 -0.04 7.15 7.18 1y6fA1 TYR 1253 HE2 0.05 0.09 -0.25 -0.04 6.85 6.70 1y6fA1 GLY 1254 H 0.11 0.16 0.14 -0.55 8.43 8.30 1y6fA1 GLY 1254 HA2 0.11 0.05 0.59 -0.51 4.01 4.26 1y6fA1 GLY 1254 HA3 0.09 0.03 0.37 -0.51 4.01 3.99 1y6fA1 ASN 1255 H 0.05 0.12 0.19 -0.55 8.53 8.35 1y6fA1 ASN 1255 HA 0.04 0.16 0.30 -0.75 4.76 4.51 1y6fA1 ASN 1255 HB2 0.03 -0.01 0.19 -0.04 2.88 3.06 1y6fA1 ASN 1255 HB3 0.03 -0.00 0.02 -0.04 2.79 2.80 1y6fA1 ASN 1255 HD21 0.04 -0.12 0.06 -0.04 7.03 6.97 1y6fA1 ASN 1255 HD22 0.03 -0.02 -0.06 -0.04 7.74 7.64 1y6fA1 ARG 1256 H 0.05 -0.06 -0.55 -0.55 8.46 7.35 1y6fA1 ARG 1256 HA 0.03 0.16 0.61 -0.75 4.34 4.39 1y6fA1 ARG 1256 HB2 0.04 -0.06 0.04 -0.04 1.90 1.88 1y6fA1 ARG 1256 HB3 0.03 0.07 -0.02 -0.04 1.80 1.84 1y6fA1 ARG 1256 HG2 0.03 -0.07 -0.08 -0.04 1.67 1.51 1y6fA1 ARG 1256 HG3 0.03 -0.00 -0.01 -0.04 1.67 1.65 1y6fA1 ARG 1256 HD2 0.02 0.03 0.01 -0.04 3.22 3.24 1y6fA1 ARG 1256 HD3 0.02 0.00 -0.02 -0.04 3.22 3.18 1y6fA1 GLU 1257 H 0.08 0.10 -0.14 -0.55 8.60 8.09 1y6fA1 GLU 1257 HA 0.07 0.17 0.73 -0.75 4.29 4.51 1y6fA1 GLU 1257 HB2 0.13 0.05 0.13 -0.04 2.09 2.35 1y6fA1 GLU 1257 HB3 0.07 0.02 0.04 -0.04 1.99 2.07 1y6fA1 GLU 1257 HG2 0.18 0.13 0.11 -0.04 2.34 2.71 1y6fA1 GLU 1257 HG3 0.06 0.09 0.11 -0.04 2.34 2.56 1y6fA1 ILE 1258 H 0.05 0.35 -0.43 -0.55 8.25 7.67 1y6fA1 ILE 1258 HA 0.01 0.14 0.48 -0.75 4.18 4.06 1y6fA1 ILE 1258 HB 0.02 0.04 -0.03 -0.04 1.89 1.87 1y6fA1 ILE 1258 HG12 -0.04 0.05 -0.11 -0.04 1.49 1.35 1y6fA1 ILE 1258 HG13 -0.05 -0.02 -0.00 -0.04 1.21 1.10 1y6fA1 ILE 1258 HG23 0.01 0.03 -0.06 -0.04 0.93 0.86 1y6fA1 ILE 1258 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.76 1y6fA1 ASP 1259 H 0.03 0.11 -0.05 -0.55 8.40 7.94 1y6fA1 ASP 1259 HA -0.00 0.20 0.47 -0.75 4.63 4.54 1y6fA1 ASP 1259 HB2 0.03 -0.03 0.07 -0.04 2.71 2.74 1y6fA1 ASP 1259 HB3 0.02 0.06 0.14 -0.04 2.70 2.87 1y6fA1 LYS 1260 H 0.09 0.13 -0.87 -0.55 8.42 7.22 1y6fA1 LYS 1260 HA 0.08 0.19 0.72 -0.75 4.32 4.56 1y6fA1 LYS 1260 HB2 0.23 0.07 -0.05 -0.04 1.87 2.08 1y6fA1 LYS 1260 HB3 0.15 0.01 0.09 -0.04 1.79 1.99 1y6fA1 LYS 1260 HG2 0.06 0.09 -0.14 -0.04 1.46 1.43 1y6fA1 LYS 1260 HG3 0.08 -0.15 -0.22 -0.04 1.46 1.13 1y6fA1 LYS 1260 HD2 0.05 -0.03 -0.04 -0.04 1.69 1.63 1y6fA1 LYS 1260 HD3 0.07 -0.03 -0.01 -0.04 1.68 1.67 1y6fA1 LYS 1260 HE2 0.04 0.02 -0.02 -0.04 2.99 3.00 1y6fA1 LYS 1260 HE3 0.03 -0.03 -0.01 -0.04 2.99 2.94 1y6fA1 MET 1261 H -0.06 0.27 -0.27 -0.55 8.47 7.87 1y6fA1 MET 1261 HA -0.84 0.02 0.43 -0.75 4.52 3.38 1y6fA1 MET 1261 HB2 -0.44 0.01 0.14 -0.04 2.15 1.82 1y6fA1 MET 1261 HB3 -0.22 0.02 0.05 -0.04 2.03 1.84 1y6fA1 MET 1261 HG2 -0.29 0.04 -0.22 -0.04 2.63 2.11 1y6fA1 MET 1261 HG3 -0.90 -0.01 -0.02 -0.04 2.56 1.60 1y6fA1 MET 1261 HE3 -0.11 -0.01 -0.10 -0.04 2.10 1.83 1y6fA1 ASN 1262 H -0.08 0.14 0.13 -0.55 8.53 8.17 1y6fA1 ASN 1262 HA 0.01 0.13 0.78 -0.75 4.76 4.93 1y6fA1 ASN 1262 HB2 0.09 0.03 0.08 -0.04 2.88 3.04 1y6fA1 ASN 1262 HB3 0.07 0.03 0.20 -0.04 2.79 3.04 1y6fA1 ASN 1262 HD21 0.04 0.03 -0.04 -0.04 7.03 7.02 1y6fA1 ASN 1262 HD22 0.06 -0.00 0.01 -0.04 7.74 7.77 1y6fA1 LEU 1263 H -0.01 0.21 0.07 -0.55 8.37 8.09 1y6fA1 LEU 1263 HA -0.00 0.18 0.60 -0.75 4.35 4.38 1y6fA1 LEU 1263 HB2 -0.00 -0.00 0.03 -0.04 1.64 1.63 1y6fA1 LEU 1263 HB3 0.01 0.01 0.12 -0.04 1.64 1.74 1y6fA1 LEU 1263 HG -0.02 0.00 -0.06 -0.04 1.64 1.53 1y6fA1 LEU 1263 HD13 -0.04 -0.00 -0.22 -0.04 0.93 0.62 1y6fA1 LEU 1263 HD23 -0.05 -0.02 -0.18 -0.04 0.89 0.60 1y6fA1 ALA 1264 H 0.03 0.00 -0.42 -0.55 8.40 7.46 1y6fA1 ALA 1264 HA 0.03 0.13 0.60 -0.75 4.34 4.34 1y6fA1 ALA 1264 HB3 0.03 -0.01 0.01 -0.04 1.41 1.40 1y6fA1 PRO 1265 HA 0.06 0.14 0.25 -0.51 4.44 4.37 1y6fA1 PRO 1265 HB2 0.02 -0.05 0.04 -0.04 2.28 2.25 1y6fA1 PRO 1265 HB3 0.04 0.42 0.14 -0.04 2.02 2.57 1y6fA1 PRO 1265 HG2 0.02 -0.03 0.02 -0.04 2.03 2.00 1y6fA1 PRO 1265 HG3 0.03 0.02 0.08 -0.04 2.03 2.12 1y6fA1 PRO 1265 HD2 0.03 -0.01 0.20 -0.04 3.68 3.86 1y6fA1 PRO 1265 HD3 0.03 0.19 0.16 -0.04 3.65 3.99 1y6fA1 ASN 1266 H 0.03 0.18 0.12 -0.55 8.53 8.31 1y6fA1 ASN 1266 HA 0.01 -0.02 0.33 -0.75 4.76 4.33 1y6fA1 ASN 1266 HB2 0.01 -0.05 -0.15 -0.04 2.88 2.65 1y6fA1 ASN 1266 HB3 0.02 0.16 0.21 -0.04 2.79 3.13 1y6fA1 ASN 1266 HD21 0.00 -0.06 -0.01 -0.04 7.03 6.93 1y6fA1 ASN 1266 HD22 0.01 0.01 0.04 -0.04 7.74 7.76 1y6fA1 GLN 1267 H 0.10 0.23 0.09 -0.55 8.47 8.34 1y6fA1 GLN 1267 HA 0.08 0.08 0.59 -0.75 4.36 4.35 1y6fA1 GLN 1267 HB2 0.09 0.07 -0.10 -0.04 2.15 2.17 1y6fA1 GLN 1267 HB3 0.09 0.05 0.01 -0.04 2.02 2.13 1y6fA1 GLN 1267 HG2 0.05 0.21 -0.42 -0.04 2.40 2.21 1y6fA1 GLN 1267 HG3 0.06 -0.04 -0.10 -0.04 2.39 2.26 1y6fA1 GLN 1267 HE21 0.06 -0.13 0.07 -0.04 6.97 6.92 1y6fA1 GLN 1267 HE22 0.05 0.24 0.26 -0.04 7.69 8.20 1y6fA1 PRO 1268 HA 0.24 0.08 0.48 -0.51 4.44 4.73 1y6fA1 PRO 1268 HB2 0.14 0.00 -0.28 -0.04 2.28 2.10 1y6fA1 PRO 1268 HB3 0.10 -0.03 -0.12 -0.04 2.02 1.93 1y6fA1 PRO 1268 HG2 0.06 0.06 -0.04 -0.04 2.03 2.07 1y6fA1 PRO 1268 HG3 0.06 0.03 -0.05 -0.04 2.03 2.04 1y6fA1 PRO 1268 HD2 0.11 0.11 0.06 -0.04 3.68 3.91 1y6fA1 PRO 1268 HD3 0.08 0.15 0.15 -0.04 3.65 3.99 1y6fA1 ALA 1269 H 0.16 0.14 0.06 -0.55 8.40 8.21 1y6fA1 ALA 1269 HA -0.25 0.13 0.39 -0.75 4.34 3.85 1y6fA1 ALA 1269 HB3 0.24 -0.01 0.04 -0.04 1.41 1.64 1y6fA1 GLN 1270 H -0.05 0.68 0.36 -0.55 8.47 8.91 1y6fA1 GLN 1270 HA 0.15 0.14 0.73 -0.75 4.36 4.62 1y6fA1 GLN 1270 HB2 -0.09 -0.10 0.27 -0.04 2.15 2.19 1y6fA1 GLN 1270 HB3 -0.21 -0.05 0.05 -0.04 2.02 1.78 1y6fA1 GLN 1270 HG2 -0.01 0.15 0.14 -0.04 2.40 2.64 1y6fA1 GLN 1270 HG3 -0.07 0.01 -0.03 -0.04 2.39 2.26 1y6fA1 GLN 1270 HE21 0.17 -0.10 -0.00 -0.04 6.97 7.00 1y6fA1 GLN 1270 HE22 0.11 0.27 -0.21 -0.04 7.69 7.82 1y6fA1 ILE 1271 H 0.16 0.23 -0.00 -0.55 8.25 8.09 1y6fA1 ILE 1271 HA -0.06 0.18 0.78 -0.75 4.18 4.32 1y6fA1 ILE 1271 HB -0.14 -0.10 0.00 -0.04 1.89 1.61 1y6fA1 ILE 1271 HG12 0.20 0.08 -0.12 -0.04 1.49 1.60 1y6fA1 ILE 1271 HG13 0.11 -0.03 -0.11 -0.04 1.21 1.14 1y6fA1 ILE 1271 HG23 -0.18 -0.01 -0.20 -0.04 0.93 0.50 1y6fA1 ILE 1271 HD13 -0.01 -0.01 -0.26 -0.04 0.88 0.56 1y6fA1 LEU 1272 H -0.08 0.78 0.41 -0.55 8.37 8.93 1y6fA1 LEU 1272 HA -0.13 0.26 0.88 -0.75 4.35 4.60 1y6fA1 LEU 1272 HB2 -0.06 0.11 -0.03 -0.04 1.64 1.62 1y6fA1 LEU 1272 HB3 -0.02 -0.15 0.16 -0.04 1.64 1.59 1y6fA1 LEU 1272 HG 0.03 -0.09 -0.24 -0.04 1.64 1.30 1y6fA1 LEU 1272 HD13 0.00 0.02 -0.09 -0.04 0.93 0.82 1y6fA1 LEU 1272 HD23 -0.01 -0.00 -0.08 -0.04 0.89 0.75 1y6fA1 ASP 1273 H -0.17 0.55 0.27 -0.55 8.40 8.50 1y6fA1 ASP 1273 HA -0.10 0.24 0.40 -0.75 4.63 4.42 1y6fA1 ASP 1273 HB2 0.11 0.07 0.20 -0.04 2.71 3.05 1y6fA1 ASP 1273 HB3 0.04 -0.18 0.28 -0.04 2.70 2.80 1y6fA1 CYS 1274 H 0.02 0.29 0.16 -0.55 8.50 8.42 1y6fA1 CYS 1274 HA -0.02 0.13 0.58 -0.75 4.58 4.51 1y6fA1 CYS 1274 HB2 -0.09 0.01 0.10 -0.04 2.97 2.94 1y6fA1 CYS 1274 HB3 -0.01 -0.01 -0.21 -0.04 2.97 2.69 1y6fA1 TYR 1275 H -0.40 0.22 0.15 -0.55 8.29 7.71 1y6fA1 TYR 1275 HA -0.04 0.24 1.02 -0.75 4.56 5.03 1y6fA1 TYR 1275 HB2 -0.05 0.04 -0.00 -0.04 3.06 3.01 1y6fA1 TYR 1275 HB3 -0.05 0.04 -0.29 -0.04 2.98 2.64 1y6fA1 TYR 1275 HD2 -0.07 -0.02 -0.61 -0.04 7.15 6.41 1y6fA1 TYR 1275 HE2 -0.11 0.05 -0.11 -0.04 6.85 6.64 1y6fA1 ILE 1276 H 0.13 0.22 0.15 -0.55 8.25 8.20 1y6fA1 ILE 1276 HA -0.05 0.15 0.76 -0.75 4.18 4.29 1y6fA1 ILE 1276 HB 0.04 -0.02 0.19 -0.04 1.89 2.06 1y6fA1 ILE 1276 HG12 -0.01 0.05 -0.12 -0.04 1.49 1.36 1y6fA1 ILE 1276 HG13 0.02 -0.04 -0.04 -0.04 1.21 1.10 1y6fA1 ILE 1276 HG23 0.01 -0.01 -0.03 -0.04 0.93 0.86 1y6fA1 ILE 1276 HD13 0.01 0.03 -0.02 -0.04 0.88 0.85 1y6fA1 ASN 1277 H -0.15 0.63 0.32 -0.55 8.53 8.79 1y6fA1 ASN 1277 HA 0.22 0.01 0.32 -0.75 4.76 4.55 1y6fA1 ASN 1277 HB2 -0.41 0.01 0.07 -0.04 2.88 2.51 1y6fA1 ASN 1277 HB3 -0.14 0.03 0.16 -0.04 2.79 2.81 1y6fA1 ASN 1277 HD21 0.10 0.00 -0.10 -0.04 7.03 6.99 1y6fA1 ASN 1277 HD22 0.07 -0.02 -0.06 -0.04 7.74 7.69 1y6fA1 SER 1278 H 0.02 0.16 -0.07 -0.55 8.46 8.03 1y6fA1 SER 1278 HA 0.03 0.11 0.40 -0.75 4.49 4.28 1y6fA1 SER 1278 HB2 0.21 0.11 0.00 -0.04 3.95 4.24 1y6fA1 SER 1278 HB3 0.15 0.00 0.07 -0.04 3.93 4.12 1y6fA1 GLU 1279 H 0.04 0.08 -0.35 -0.55 8.60 7.83 1y6fA1 GLU 1279 HA 0.05 0.14 0.46 -0.75 4.29 4.18 1y6fA1 GLU 1279 HB2 0.04 0.04 0.19 -0.04 2.09 2.31 1y6fA1 GLU 1279 HB3 0.01 0.03 -0.02 -0.04 1.99 1.98 1y6fA1 GLU 1279 HG2 0.03 0.08 0.02 -0.04 2.34 2.43 1y6fA1 GLU 1279 HG3 0.04 -0.07 0.01 -0.04 2.34 2.28 1y6fA1 MET 1280 H -0.02 0.48 -0.05 -0.55 8.47 8.33 1y6fA1 MET 1280 HA -0.19 0.03 0.32 -0.75 4.52 3.93 1y6fA1 MET 1280 HB2 -0.57 -0.09 -0.03 -0.04 2.15 1.43 1y6fA1 MET 1280 HB3 -0.24 0.10 0.06 -0.04 2.03 1.91 1y6fA1 MET 1280 HG2 -0.48 0.02 -0.09 -0.04 2.63 2.03 1y6fA1 MET 1280 HG3 -1.28 -0.08 -0.12 -0.04 2.56 1.05 1y6fA1 MET 1280 HE3 -0.12 -0.02 -0.12 -0.04 2.10 1.80 1y6fA1 LEU 1281 H -0.19 0.47 -0.20 -0.55 8.37 7.90 1y6fA1 LEU 1281 HA -0.23 -0.01 0.25 -0.75 4.35 3.61 1y6fA1 LEU 1281 HB2 -1.04 0.12 0.02 -0.04 1.64 0.70 1y6fA1 LEU 1281 HB3 -0.84 0.05 -0.04 -0.04 1.64 0.76 1y6fA1 LEU 1281 HG -0.23 0.26 0.02 -0.04 1.64 1.65 1y6fA1 LEU 1281 HD13 -0.34 -0.02 -0.08 -0.04 0.93 0.45 1y6fA1 LEU 1281 HD23 -0.13 -0.03 -0.09 -0.04 0.89 0.60 1y6fA1 GLU 1282 H -0.07 0.31 -0.36 -0.55 8.60 7.93 1y6fA1 GLU 1282 HA 0.19 0.12 0.41 -0.75 4.29 4.25 1y6fA1 GLU 1282 HB2 0.23 0.01 0.14 -0.04 2.09 2.43 1y6fA1 GLU 1282 HB3 0.06 0.09 0.17 -0.04 1.99 2.26 1y6fA1 GLU 1282 HG2 0.07 -0.08 -0.01 -0.04 2.34 2.28 1y6fA1 GLU 1282 HG3 0.05 0.01 -0.19 -0.04 2.34 2.17 1y6fA1 ARG 1283 H -0.05 0.38 -0.10 -0.55 8.46 8.14 1y6fA1 ARG 1283 HA -0.02 0.06 0.36 -0.75 4.34 3.99 1y6fA1 ARG 1283 HB2 -0.09 0.04 0.08 -0.04 1.90 1.90 1y6fA1 ARG 1283 HB3 -0.05 -0.03 -0.08 -0.04 1.80 1.59 1y6fA1 ARG 1283 HG2 -0.03 0.02 -0.03 -0.04 1.67 1.59 1y6fA1 ARG 1283 HG3 -0.04 0.06 -0.03 -0.04 1.67 1.62 1y6fA1 ARG 1283 HD2 -0.05 0.03 -0.08 -0.04 3.22 3.07 1y6fA1 ARG 1283 HD3 -0.04 -0.03 -0.08 -0.04 3.22 3.04 1y6fA1 MET 1284 H -0.10 0.53 -0.24 -0.55 8.47 8.11 1y6fA1 MET 1284 HA -0.06 0.01 0.38 -0.75 4.52 4.10 1y6fA1 MET 1284 HB2 -0.12 -0.08 -0.07 -0.04 2.15 1.84 1y6fA1 MET 1284 HB3 -0.11 0.10 -0.01 -0.04 2.03 1.96 1y6fA1 MET 1284 HG2 -0.07 -0.09 -0.19 -0.04 2.63 2.24 1y6fA1 MET 1284 HG3 -0.07 0.09 -0.21 -0.04 2.56 2.33 1y6fA1 MET 1284 HE3 0.01 0.05 -0.18 -0.04 2.10 1.94 1y6fA1 SER 1285 H -0.06 0.56 -0.16 -0.55 8.46 8.26 1y6fA1 SER 1285 HA -0.13 0.10 0.26 -0.75 4.49 3.97 1y6fA1 SER 1285 HB2 -0.03 0.07 0.08 -0.04 3.95 4.03 1y6fA1 SER 1285 HB3 0.03 -0.12 0.08 -0.04 3.93 3.88 1y6fA1 LYS 1286 H -0.05 0.18 -0.87 -0.55 8.42 7.13 1y6fA1 LYS 1286 HA -0.07 0.16 0.73 -0.75 4.32 4.39 1y6fA1 LYS 1286 HB2 -0.02 0.03 0.05 -0.04 1.87 1.89 1y6fA1 LYS 1286 HB3 -0.03 -0.06 0.22 -0.04 1.79 1.88 1y6fA1 LYS 1286 HG2 -0.03 0.05 -0.08 -0.04 1.46 1.36 1y6fA1 LYS 1286 HG3 -0.01 0.04 -0.28 -0.04 1.46 1.17 1y6fA1 LYS 1286 HD2 -0.01 -0.04 0.03 -0.04 1.69 1.63 1y6fA1 LYS 1286 HD3 -0.00 -0.07 -0.01 -0.04 1.68 1.56 1y6fA1 LYS 1286 HE2 0.01 -0.12 -0.03 -0.04 2.99 2.81 1y6fA1 LYS 1286 HE3 0.02 0.09 -0.04 -0.04 2.99 3.02 1y6fA1 SER 1287 H -0.06 0.57 -0.25 -0.55 8.46 8.18 1y6fA1 SER 1287 HA -0.00 0.08 0.99 -0.75 4.49 4.81 1y6fA1 SER 1287 HB2 -0.00 -0.01 0.00 -0.04 3.95 3.91 1y6fA1 SER 1287 HB3 0.06 0.02 -0.04 -0.04 3.93 3.93 1y6fA1 GLY 1288 H 0.04 0.33 0.19 -0.55 8.43 8.45 1y6fA1 GLY 1288 HA2 -0.24 0.00 0.19 -0.51 4.01 3.45 1y6fA1 GLY 1288 HA3 -0.01 0.01 0.24 -0.51 4.01 3.74 1y6fA1 PHE 1289 H 0.30 0.40 0.06 -0.55 8.34 8.54 1y6fA1 PHE 1289 HA -0.04 0.18 1.01 -0.75 4.62 5.02 1y6fA1 PHE 1289 HB2 0.18 -0.12 -0.01 -0.04 3.15 3.15 1y6fA1 PHE 1289 HB3 -0.25 0.04 -0.05 -0.04 3.06 2.76 1y6fA1 PHE 1289 HD2 0.03 -0.00 -0.15 -0.04 7.28 7.11 1y6fA1 PHE 1289 HE2 0.06 0.07 -0.05 -0.04 7.38 7.42 1y6fA1 PHE 1289 HZ 0.11 0.08 -0.12 -0.04 7.32 7.36 1y6fA1 GLY 1290 H -0.06 0.44 0.17 -0.55 8.43 8.44 1y6fA1 GLY 1290 HA2 0.16 0.35 1.00 -0.51 4.01 5.01 1y6fA1 GLY 1290 HA3 0.01 -0.04 0.29 -0.51 4.01 3.75 1y6fA1 TYR 1291 H 0.30 0.68 0.40 -0.55 8.29 9.12 1y6fA1 TYR 1291 HA 0.11 0.32 1.09 -0.75 4.56 5.33 1y6fA1 TYR 1291 HB2 0.32 -0.08 -0.01 -0.04 3.06 3.25 1y6fA1 TYR 1291 HB3 0.24 -0.09 -0.06 -0.04 2.98 3.04 1y6fA1 TYR 1291 HD2 0.11 0.01 -0.27 -0.04 7.15 6.96 1y6fA1 TYR 1291 HE2 0.14 0.00 -0.14 -0.04 6.85 6.82 1y6fA1 GLN 1292 H 0.22 0.61 0.13 -0.55 8.47 8.89 1y6fA1 GLN 1292 HA -0.38 0.16 0.75 -0.75 4.36 4.15 1y6fA1 GLN 1292 HB2 -0.06 0.11 -0.26 -0.04 2.15 1.91 1y6fA1 GLN 1292 HB3 -0.17 -0.06 0.17 -0.04 2.02 1.93 1y6fA1 GLN 1292 HG2 -0.46 0.20 0.08 -0.04 2.40 2.18 1y6fA1 GLN 1292 HG3 -0.45 -0.06 -0.35 -0.04 2.39 1.49 1y6fA1 GLN 1292 HE21 -0.63 -0.02 0.02 -0.04 6.97 6.30 1y6fA1 GLN 1292 HE22 -0.56 -0.14 -0.04 -0.04 7.69 6.90 1y6fA1 LEU 1293 H 0.16 0.28 -0.03 -0.55 8.37 8.24 1y6fA1 LEU 1293 HA 0.33 0.12 0.81 -0.75 4.35 4.85 1y6fA1 LEU 1293 HB2 0.28 0.16 0.09 -0.04 1.64 2.12 1y6fA1 LEU 1293 HB3 0.15 -0.10 0.16 -0.04 1.64 1.81 1y6fA1 LEU 1293 HG 0.22 -0.04 -0.14 -0.04 1.64 1.63 1y6fA1 LEU 1293 HD13 0.20 0.03 -0.31 -0.04 0.93 0.81 1y6fA1 LEU 1293 HD23 -0.52 0.00 -0.13 -0.04 0.89 0.21 1y6fA1 SER 1294 H 0.03 0.18 -0.34 -0.55 8.46 7.78 1y6fA1 SER 1294 HA 0.02 0.18 0.60 -0.75 4.49 4.53 1y6fA1 SER 1294 HB2 0.18 0.02 0.15 -0.04 3.95 4.27 1y6fA1 SER 1294 HB3 0.26 -0.05 0.05 -0.04 3.93 4.14 1y6fA1 LYS 1295 H -0.07 0.67 0.35 -0.55 8.42 8.81 1y6fA1 LYS 1295 HA -0.26 0.15 0.92 -0.75 4.32 4.38 1y6fA1 LYS 1295 HB2 -0.71 -0.01 0.21 -0.04 1.87 1.32 1y6fA1 LYS 1295 HB3 -2.22 0.01 0.00 -0.04 1.79 -0.45 1y6fA1 LYS 1295 HG2 -0.41 0.08 0.17 -0.04 1.46 1.26 1y6fA1 LYS 1295 HG3 -0.24 -0.07 0.12 -0.04 1.46 1.24 1y6fA1 LYS 1295 HD2 -0.59 0.00 0.07 -0.04 1.69 1.13 1y6fA1 LYS 1295 HD3 -1.33 0.02 0.07 -0.04 1.68 0.39 1y6fA1 LYS 1295 HE2 -0.26 -0.00 0.15 -0.04 2.99 2.84 1y6fA1 LYS 1295 HE3 -0.14 -0.03 0.03 -0.04 2.99 2.81 1y6fA1 LEU 1296 H 0.06 0.09 -0.23 -0.55 8.37 7.75 1y6fA1 LEU 1296 HA -0.09 -0.05 0.39 -0.75 4.35 3.84 1y6fA1 LEU 1296 HB2 -0.08 -0.01 0.03 -0.04 1.64 1.54 1y6fA1 LEU 1296 HB3 -0.10 0.12 -0.20 -0.04 1.64 1.41 1y6fA1 LEU 1296 HG -0.46 -0.04 0.02 -0.04 1.64 1.13 1y6fA1 LEU 1296 HD13 -1.26 -0.03 0.04 -0.04 0.93 -0.36 1y6fA1 LEU 1296 HD23 -0.92 0.03 -0.07 -0.04 0.89 -0.12 1y6fA1 ASN 1297 H 0.14 0.02 0.15 -0.55 8.53 8.29 1y6fA1 ASN 1297 HA 0.04 0.31 0.95 -0.75 4.76 5.32 1y6fA1 ASN 1297 HB2 0.06 0.07 0.08 -0.04 2.88 3.04 1y6fA1 ASN 1297 HB3 0.06 -0.08 0.14 -0.04 2.79 2.86 1y6fA1 ASN 1297 HD21 -0.01 0.07 0.04 -0.04 7.03 7.09 1y6fA1 ASN 1297 HD22 0.03 0.04 0.04 -0.04 7.74 7.80 1y6fA1 GLN 1298 H 0.01 0.20 0.13 -0.55 8.47 8.27 1y6fA1 GLN 1298 HA -0.00 0.12 0.31 -0.75 4.36 4.03 1y6fA1 GLN 1298 HB2 0.00 0.04 0.14 -0.04 2.15 2.29 1y6fA1 GLN 1298 HB3 -0.03 -0.09 0.11 -0.04 2.02 1.97 1y6fA1 GLN 1298 HG2 -0.02 0.00 -0.03 -0.04 2.40 2.31 1y6fA1 GLN 1298 HG3 -0.04 0.04 -0.35 -0.04 2.39 2.00 1y6fA1 GLN 1298 HE21 -0.01 0.12 0.05 -0.04 6.97 7.09 1y6fA1 GLN 1298 HE22 -0.02 -0.03 -0.03 -0.04 7.69 7.57 1y6fA1 LYS 1299 H -0.15 -0.02 -0.31 -0.55 8.42 7.38 1y6fA1 LYS 1299 HA -0.11 0.15 0.38 -0.75 4.32 3.98 1y6fA1 LYS 1299 HB2 -0.25 0.31 0.08 -0.04 1.87 1.96 1y6fA1 LYS 1299 HB3 -0.22 -0.03 0.07 -0.04 1.79 1.58 1y6fA1 LYS 1299 HG2 -0.73 -0.14 0.01 -0.04 1.46 0.56 1y6fA1 LYS 1299 HG3 -1.13 -0.06 -0.15 -0.04 1.46 0.08 1y6fA1 LYS 1299 HD2 -0.29 0.03 0.00 -0.04 1.69 1.39 1y6fA1 LYS 1299 HD3 -0.64 -0.11 0.01 -0.04 1.68 0.89 1y6fA1 LYS 1299 HE2 -0.45 -0.10 -0.02 -0.04 2.99 2.38 1y6fA1 LYS 1299 HE3 -0.24 0.14 -0.01 -0.04 2.99 2.84 1y6fA1 TYR 1300 H -0.15 0.52 -0.04 -0.55 8.29 8.06 1y6fA1 TYR 1300 HA -0.02 0.03 0.53 -0.75 4.56 4.34 1y6fA1 TYR 1300 HB2 -0.24 0.05 0.01 -0.04 3.06 2.84 1y6fA1 TYR 1300 HB3 -0.23 -0.05 0.10 -0.04 2.98 2.77 1y6fA1 TYR 1300 HD2 -0.10 -0.07 0.10 -0.04 7.15 7.04 1y6fA1 TYR 1300 HE2 -0.07 0.00 0.04 -0.04 6.85 6.78 1y6fA1 LEU 1301 H 0.00 0.38 -0.53 -0.55 8.37 7.67 1y6fA1 LEU 1301 HA -0.01 0.10 0.96 -0.75 4.35 4.64 1y6fA1 LEU 1301 HB2 0.00 0.06 -0.12 -0.04 1.64 1.55 1y6fA1 LEU 1301 HB3 -0.01 0.06 -0.24 -0.04 1.64 1.40 1y6fA1 LEU 1301 HG -0.02 -0.11 -0.50 -0.04 1.64 0.97 1y6fA1 LEU 1301 HD13 0.02 -0.00 -0.25 -0.04 0.93 0.66 1y6fA1 LEU 1301 HD23 -0.09 0.02 -0.17 -0.04 0.89 0.60 1y6fA1 GLN 1302 H 0.01 0.00 0.12 -0.55 8.47 8.06 1y6fA1 GLN 1302 HA 0.01 0.30 0.93 -0.75 4.36 4.85 1y6fA1 GLN 1302 HB2 0.02 -0.09 0.05 -0.04 2.15 2.10 1y6fA1 GLN 1302 HB3 0.01 -0.06 0.33 -0.04 2.02 2.27 1y6fA1 GLN 1302 HG2 0.01 0.05 -0.04 -0.04 2.40 2.37 1y6fA1 GLN 1302 HG3 0.01 0.08 0.08 -0.04 2.39 2.52 1y6fA1 GLN 1302 HE21 0.03 -0.00 0.02 -0.04 6.97 6.97 1y6fA1 GLN 1302 HE22 0.02 0.08 -0.01 -0.04 7.69 7.74 1y6fA1 ARG 1303 H -0.00 0.12 0.29 -0.55 8.46 8.31 1y6fA1 ARG 1303 HA 0.10 0.19 0.94 -0.75 4.34 4.82 1y6fA1 ARG 1303 HB2 -0.06 -0.01 0.01 -0.04 1.90 1.80 1y6fA1 ARG 1303 HB3 -0.10 0.05 0.13 -0.04 1.80 1.84 1y6fA1 ARG 1303 HG2 0.02 0.19 -0.10 -0.04 1.67 1.74 1y6fA1 ARG 1303 HG3 -0.00 -0.12 -0.22 -0.04 1.67 1.28 1y6fA1 ARG 1303 HD2 -0.12 0.02 -0.01 -0.04 3.22 3.06 1y6fA1 ARG 1303 HD3 -0.04 0.03 -0.05 -0.04 3.22 3.11 1y6fA1 SER 1304 H -0.02 -0.07 0.22 -0.55 8.46 8.05 1y6fA1 SER 1304 HA -0.04 0.14 0.74 -0.75 4.49 4.58 1y6fA1 SER 1304 HB2 -0.06 -0.05 0.30 -0.04 3.95 4.10 1y6fA1 SER 1304 HB3 -0.18 0.01 0.05 -0.04 3.93 3.77 1y6fA1 LEU 1305 H -0.00 0.25 0.29 -0.55 8.37 8.35 1y6fA1 LEU 1305 HA -0.20 0.05 0.60 -0.75 4.35 4.04 1y6fA1 LEU 1305 HB2 0.00 0.14 0.09 -0.04 1.64 1.84 1y6fA1 LEU 1305 HB3 -0.05 0.02 -0.02 -0.04 1.64 1.55 1y6fA1 LEU 1305 HG -0.44 -0.13 0.04 -0.04 1.64 1.07 1y6fA1 LEU 1305 HD13 -0.44 0.01 -0.06 -0.04 0.93 0.40 1y6fA1 LEU 1305 HD23 -0.06 0.03 -0.07 -0.04 0.89 0.75 1y6fA1 GLU 1306 H 0.59 0.07 0.16 -0.55 8.60 8.88 1y6fA1 GLU 1306 HA -0.07 0.30 0.86 -0.75 4.29 4.62 1y6fA1 GLU 1306 HB2 0.04 -0.01 0.13 -0.04 2.09 2.20 1y6fA1 GLU 1306 HB3 0.00 -0.15 0.09 -0.04 1.99 1.90 1y6fA1 GLU 1306 HG2 0.11 -0.00 0.03 -0.04 2.34 2.44 1y6fA1 GLU 1306 HG3 0.08 0.15 -0.16 -0.04 2.34 2.36 1y6fA1 TYR 1307 H -0.02 0.16 0.13 -0.55 8.29 8.01 1y6fA1 TYR 1307 HA 0.07 0.18 0.32 -0.75 4.56 4.38 1y6fA1 TYR 1307 HB2 0.05 -0.11 0.06 -0.04 3.06 3.02 1y6fA1 TYR 1307 HB3 0.07 0.05 -0.08 -0.04 2.98 2.98 1y6fA1 TYR 1307 HD2 0.07 -0.11 -0.03 -0.04 7.15 7.04 1y6fA1 TYR 1307 HE2 0.13 0.11 -0.18 -0.04 6.85 6.87 1y6fA1 THR 1308 H 0.02 0.03 -0.22 -0.55 8.28 7.56 1y6fA1 THR 1308 HA 0.00 0.12 0.33 -0.75 4.39 4.09 1y6fA1 THR 1308 HB -0.25 0.14 -0.07 -0.04 4.32 4.11 1y6fA1 THR 1308 HG23 -0.08 0.00 -0.09 -0.04 1.22 1.01 1y6fA1 HIS 1309 H -0.11 0.09 -0.40 -0.55 8.41 7.45 1y6fA1 HIS 1309 HA -0.16 0.08 0.37 -0.75 4.63 4.16 1y6fA1 HIS 1309 HB2 -0.15 0.22 0.19 -0.04 3.26 3.48 1y6fA1 HIS 1309 HB3 -0.30 0.07 -0.02 -0.04 3.20 2.91 1y6fA1 HIS 1309 HD2 -2.42 0.07 0.04 -0.04 6.97 4.61 1y6fA1 HIS 1309 HE1 -0.10 0.01 0.06 -0.04 7.75 7.67 1y6fA1 LEU 1310 H 0.11 0.37 -0.09 -0.55 8.37 8.22 1y6fA1 LEU 1310 HA 0.16 0.05 0.31 -0.75 4.35 4.12 1y6fA1 LEU 1310 HB2 0.15 0.03 -0.02 -0.04 1.64 1.76 1y6fA1 LEU 1310 HB3 0.12 -0.02 -0.05 -0.04 1.64 1.65 1y6fA1 LEU 1310 HG 0.01 0.08 -0.12 -0.04 1.64 1.57 1y6fA1 LEU 1310 HD13 -0.02 0.02 -0.12 -0.04 0.93 0.76 1y6fA1 LEU 1310 HD23 0.07 -0.00 -0.10 -0.04 0.89 0.82 1y6fA1 GLU 1311 H 0.12 0.52 -0.27 -0.55 8.60 8.41 1y6fA1 GLU 1311 HA 0.11 0.02 0.33 -0.75 4.29 4.00 1y6fA1 GLU 1311 HB2 0.04 0.03 0.03 -0.04 2.09 2.15 1y6fA1 GLU 1311 HB3 0.00 0.02 -0.10 -0.04 1.99 1.87 1y6fA1 GLU 1311 HG2 0.06 0.00 -0.08 -0.04 2.34 2.28 1y6fA1 GLU 1311 HG3 0.15 -0.01 -0.08 -0.04 2.34 2.36 1y6fA1 LEU 1312 H 0.10 0.34 -0.34 -0.55 8.37 7.92 1y6fA1 LEU 1312 HA 0.01 0.06 0.24 -0.75 4.35 3.90 1y6fA1 LEU 1312 HB2 0.20 0.09 0.07 -0.04 1.64 1.97 1y6fA1 LEU 1312 HB3 0.03 0.01 -0.15 -0.04 1.64 1.49 1y6fA1 LEU 1312 HG 0.04 0.22 0.03 -0.04 1.64 1.88 1y6fA1 LEU 1312 HD13 0.15 -0.00 -0.28 -0.04 0.93 0.76 1y6fA1 LEU 1312 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.69 1y6fA1 GLY 1313 H 0.18 0.26 -0.16 -0.55 8.43 8.16 1y6fA1 GLY 1313 HA2 0.11 0.15 0.32 -0.51 4.01 4.08 1y6fA1 GLY 1313 HA3 0.18 -0.00 0.23 -0.51 4.01 3.91 1y6fA1 ALA 1314 H 0.21 0.44 -0.24 -0.55 8.40 8.26 1y6fA1 ALA 1314 HA 0.61 0.01 0.35 -0.75 4.34 4.56 1y6fA1 ALA 1314 HB3 0.24 -0.04 0.07 -0.04 1.41 1.64 1y6fA1 CYS 1315 H 0.13 0.43 -0.35 -0.55 8.50 8.16 1y6fA1 CYS 1315 HA 0.25 0.14 0.77 -0.75 4.58 4.98 1y6fA1 CYS 1315 HB2 -0.02 0.06 0.05 -0.04 2.97 3.02 1y6fA1 CYS 1315 HB3 -0.03 -0.13 -0.05 -0.04 2.97 2.73 1y6fA1 GLY 1316 H -0.02 0.31 -0.30 -0.55 8.43 7.88 1y6fA1 GLY 1316 HA2 -1.92 -0.04 0.27 -0.51 4.01 1.81 1y6fA1 GLY 1316 HA3 -1.39 0.07 0.56 -0.51 4.01 2.74 1y6fA1 THR 1317 H -0.21 0.18 -0.06 -0.55 8.28 7.64 1y6fA1 THR 1317 HA -0.23 0.30 0.76 -0.75 4.39 4.47 1y6fA1 THR 1317 HB -0.14 0.14 -0.16 -0.04 4.32 4.12 1y6fA1 THR 1317 HG23 -0.10 0.00 -0.36 -0.04 1.22 0.73 1y6fA1 ILE 1318 H -0.33 0.45 0.21 -0.55 8.25 8.03 1y6fA1 ILE 1318 HA -0.33 0.17 0.76 -0.75 4.18 4.03 1y6fA1 ILE 1318 HB -0.45 0.07 0.22 -0.04 1.89 1.69 1y6fA1 ILE 1318 HG12 -1.17 0.05 -0.04 -0.04 1.49 0.28 1y6fA1 ILE 1318 HG13 -0.54 -0.04 0.01 -0.04 1.21 0.59 1y6fA1 ILE 1318 HG23 -0.08 -0.00 -0.16 -0.04 0.93 0.65 1y6fA1 ILE 1318 HD13 -0.46 0.04 -0.07 -0.04 0.88 0.36 1y6fA1 PRO 1319 HA -0.24 0.07 0.47 -0.51 4.44 4.23 1y6fA1 PRO 1319 HB2 -0.85 -0.11 0.02 -0.04 2.28 1.30 1y6fA1 PRO 1319 HB3 -0.62 -0.04 -0.03 -0.04 2.02 1.29 1y6fA1 PRO 1319 HG2 -0.17 -0.00 -0.03 -0.04 2.03 1.79 1y6fA1 PRO 1319 HG3 -0.11 0.04 -0.29 -0.04 2.03 1.63 1y6fA1 PRO 1319 HD2 -0.29 0.08 0.12 -0.04 3.68 3.56 1y6fA1 PRO 1319 HD3 -0.21 0.59 0.31 -0.04 3.65 4.30 1y6fA1 VAL 1320 H -0.23 0.42 0.22 -0.55 8.24 8.11 1y6fA1 VAL 1320 HA -0.33 0.25 0.97 -0.75 4.13 4.27 1y6fA1 VAL 1320 HB -0.63 0.02 0.18 -0.04 2.12 1.64 1y6fA1 VAL 1320 HG13 0.04 -0.02 -0.11 -0.04 0.97 0.85 1y6fA1 VAL 1320 HG23 -0.29 0.04 -0.20 -0.04 0.95 0.46 1y6fA1 PHE 1321 H -0.31 0.24 -0.02 -0.55 8.34 7.69 1y6fA1 PHE 1321 HA 0.17 0.29 0.92 -0.75 4.62 5.24 1y6fA1 PHE 1321 HB2 0.00 0.00 -0.12 -0.04 3.15 3.00 1y6fA1 PHE 1321 HB3 0.36 -0.06 0.14 -0.04 3.06 3.46 1y6fA1 PHE 1321 HD2 0.03 0.06 -0.23 -0.04 7.28 7.10 1y6fA1 PHE 1321 HE2 0.03 0.05 -0.07 -0.04 7.38 7.34 1y6fA1 PHE 1321 HZ 0.08 0.14 -0.03 -0.04 7.32 7.47 1y6fA1 TRP 1322 H 0.64 0.22 0.22 -0.55 7.97 8.50 1y6fA1 TRP 1322 HA 0.33 0.12 0.62 -0.75 4.62 4.94 1y6fA1 TRP 1322 HB2 0.18 -0.02 -0.06 -0.04 3.23 3.28 1y6fA1 TRP 1322 HB3 0.22 0.09 0.11 -0.04 3.23 3.61 1y6fA1 TRP 1322 HD1 0.14 -0.26 -0.09 -0.04 7.22 6.96 1y6fA1 TRP 1322 HE1 0.11 0.04 0.05 -0.04 10.20 10.35 1y6fA1 TRP 1322 HE3 0.00 0.01 -0.04 -0.04 7.59 7.52 1y6fA1 TRP 1322 HZ2 0.12 0.02 0.04 -0.04 7.44 7.58 1y6fA1 TRP 1322 HZ3 0.04 -0.00 -0.03 -0.04 7.13 7.10 1y6fA1 TRP 1322 HH2 0.15 0.01 0.02 -0.04 7.19 7.33 1y6fA1 LYS 1323 H -0.26 0.58 0.24 -0.55 8.42 8.43 1y6fA1 LYS 1323 HA 0.25 0.07 0.26 -0.75 4.32 4.15 1y6fA1 LYS 1323 HB2 -0.10 0.19 -0.16 -0.04 1.87 1.76 1y6fA1 LYS 1323 HB3 -0.22 -0.14 0.12 -0.04 1.79 1.50 1y6fA1 LYS 1323 HG2 -0.15 -0.01 -0.21 -0.04 1.46 1.05 1y6fA1 LYS 1323 HG3 -0.03 0.05 -0.11 -0.04 1.46 1.33 1y6fA1 LYS 1323 HD2 -0.10 -0.01 -0.11 -0.04 1.69 1.43 1y6fA1 LYS 1323 HD3 -0.11 -0.06 -0.07 -0.04 1.68 1.40 1y6fA1 LYS 1323 HE2 -0.11 0.01 -0.09 -0.04 2.99 2.76 1y6fA1 LYS 1323 HE3 -0.08 0.05 -0.07 -0.04 2.99 2.85 1y6fA1 SER 1324 H -0.08 0.11 0.01 -0.55 8.46 7.96 1y6fA1 SER 1324 HA 0.05 0.10 0.33 -0.75 4.49 4.22 1y6fA1 SER 1324 HB2 0.20 0.05 0.07 -0.04 3.95 4.23 1y6fA1 SER 1324 HB3 0.28 -0.01 0.13 -0.04 3.93 4.29 1y6fA1 THR 1325 H 0.53 0.09 -0.47 -0.55 8.28 7.88 1y6fA1 THR 1325 HA 0.14 0.04 0.35 -0.75 4.39 4.16 1y6fA1 THR 1325 HB 0.41 0.19 0.15 -0.04 4.32 5.03 1y6fA1 THR 1325 HG23 0.08 -0.01 -0.15 -0.04 1.22 1.10 1y6fA1 GLY 1326 H 0.17 0.42 -0.05 -0.55 8.43 8.42 1y6fA1 GLY 1326 HA2 -0.03 0.03 0.34 -0.51 4.01 3.84 1y6fA1 GLY 1326 HA3 -0.85 0.02 0.23 -0.51 4.01 2.90 1y6fA1 GLU 1327 H -0.12 0.24 -0.66 -0.55 8.60 7.51 1y6fA1 GLU 1327 HA -0.20 -0.01 0.63 -0.75 4.29 3.96 1y6fA1 GLU 1327 HB2 -0.06 0.07 0.15 -0.04 2.09 2.21 1y6fA1 GLU 1327 HB3 -0.08 -0.00 -0.02 -0.04 1.99 1.85 1y6fA1 GLU 1327 HG2 -0.19 0.02 -0.06 -0.04 2.34 2.06 1y6fA1 GLU 1327 HG3 -0.29 0.03 -0.17 -0.04 2.34 1.87 1y6fA1 ASN 1328 H -0.01 0.36 0.07 -0.55 8.53 8.41 1y6fA1 ASN 1328 HA -0.01 0.08 0.57 -0.75 4.76 4.65 1y6fA1 ASN 1328 HB2 0.02 -0.03 0.05 -0.04 2.88 2.87 1y6fA1 ASN 1328 HB3 0.01 0.03 0.06 -0.04 2.79 2.84 1y6fA1 ASN 1328 HD21 0.07 -0.11 -0.02 -0.04 7.03 6.93 1y6fA1 ASN 1328 HD22 0.05 -0.05 -0.11 -0.04 7.74 7.59 1y6fA1 LEU 1329 H -0.00 0.33 -0.06 -0.55 8.37 8.08 1y6fA1 LEU 1329 HA 0.02 0.20 0.29 -0.75 4.35 4.10 1y6fA1 LEU 1329 HB2 0.00 -0.01 -0.04 -0.04 1.64 1.56 1y6fA1 LEU 1329 HB3 0.02 0.02 -0.21 -0.04 1.64 1.43 1y6fA1 LEU 1329 HG -0.00 -0.06 -0.14 -0.04 1.64 1.39 1y6fA1 LEU 1329 HD13 -0.07 -0.02 -0.25 -0.04 0.93 0.55 1y6fA1 LEU 1329 HD23 0.01 0.05 -0.53 -0.04 0.89 0.38 1y6fA1 LYS 1330 H 0.09 0.39 0.25 -0.55 8.42 8.60 1y6fA1 LYS 1330 HA 0.12 0.17 0.72 -0.75 4.32 4.59 1y6fA1 LYS 1330 HB2 0.07 -0.08 -0.01 -0.04 1.87 1.81 1y6fA1 LYS 1330 HB3 0.10 -0.05 -0.24 -0.04 1.79 1.55 1y6fA1 LYS 1330 HG2 0.05 0.07 -0.36 -0.04 1.46 1.18 1y6fA1 LYS 1330 HG3 0.04 0.07 -0.15 -0.04 1.46 1.38 1y6fA1 LYS 1330 HD2 0.03 -0.13 0.00 -0.04 1.69 1.55 1y6fA1 LYS 1330 HD3 0.04 0.23 0.08 -0.04 1.68 1.99 1y6fA1 LYS 1330 HE2 0.02 -0.01 0.04 -0.04 2.99 2.99 1y6fA1 LYS 1330 HE3 0.02 -0.10 0.03 -0.04 2.99 2.90 1y6fA1 PHE 1331 H 0.30 0.81 0.02 -0.55 8.34 8.91 1y6fA1 PHE 1331 HA 0.27 0.00 0.37 -0.75 4.62 4.52 1y6fA1 PHE 1331 HB2 -0.01 0.20 0.04 -0.04 3.15 3.34 1y6fA1 PHE 1331 HB3 0.10 -0.20 0.03 -0.04 3.06 2.96 1y6fA1 PHE 1331 HD2 0.02 0.01 0.04 -0.04 7.28 7.31 1y6fA1 PHE 1331 HE2 -0.19 0.07 0.01 -0.04 7.38 7.23 1y6fA1 PHE 1331 HZ -0.04 0.04 0.00 -0.04 7.32 7.28 1y6fA1 ARG 1332 H -0.14 0.14 0.23 -0.55 8.46 8.14 1y6fA1 ARG 1332 HA -0.23 0.13 0.47 -0.75 4.34 3.95 1y6fA1 ARG 1332 HB2 -0.67 0.12 0.25 -0.04 1.90 1.56 1y6fA1 ARG 1332 HB3 -0.59 -0.01 0.19 -0.04 1.80 1.34 1y6fA1 ARG 1332 HG2 -0.33 -0.00 -0.10 -0.04 1.67 1.20 1y6fA1 ARG 1332 HG3 -0.26 -0.04 0.08 -0.04 1.67 1.41 1y6fA1 ARG 1332 HD2 -0.20 -0.08 -0.05 -0.04 3.22 2.85 1y6fA1 ARG 1332 HD3 -0.30 0.12 0.03 -0.04 3.22 3.03 1y6fA1 VAL 1333 H -1.28 -0.04 -0.25 -0.55 8.24 6.12 1y6fA1 VAL 1333 HA -0.35 0.19 0.56 -0.75 4.13 3.77 1y6fA1 VAL 1333 HB -0.46 -0.05 0.01 -0.04 2.12 1.57 1y6fA1 VAL 1333 HG13 -0.10 0.01 -0.05 -0.04 0.97 0.79 1y6fA1 VAL 1333 HG23 -0.90 -0.00 -0.04 -0.04 0.95 -0.03 1y6fA1 ASP 1334 H -0.01 0.01 -0.20 -0.55 8.40 7.64 1y6fA1 ASP 1334 HA 0.00 0.26 0.68 -0.75 4.63 4.82 1y6fA1 ASP 1334 HB2 0.09 0.02 0.18 -0.04 2.71 2.95 1y6fA1 ASP 1334 HB3 0.07 0.11 -0.12 -0.04 2.70 2.71 1y6fA1 ASN 1335 H 0.03 0.39 -0.08 -0.55 8.53 8.32 1y6fA1 ASN 1335 HA 0.07 0.10 0.24 -0.75 4.76 4.41 1y6fA1 ASN 1335 HB2 0.04 0.17 -0.06 -0.04 2.88 2.99 1y6fA1 ASN 1335 HB3 0.04 -0.03 0.11 -0.04 2.79 2.86 1y6fA1 ASN 1335 HD21 0.00 -0.00 -0.06 -0.04 7.03 6.93 1y6fA1 ASN 1335 HD22 0.02 -0.01 -0.02 -0.04 7.74 7.69 1y6fA1 THR 1336 H 0.22 -0.07 -0.69 -0.55 8.28 7.19 1y6fA1 THR 1336 HA 0.10 0.15 0.54 -0.75 4.39 4.43 1y6fA1 THR 1336 HB 0.16 0.06 0.00 -0.04 4.32 4.50 1y6fA1 THR 1336 HG23 0.08 0.04 0.01 -0.04 1.22 1.30 1y6fA1 PRO 1337 HA 0.05 0.48 0.52 -0.51 4.44 4.97 1y6fA1 PRO 1337 HB2 -0.04 -0.20 0.08 -0.04 2.28 2.08 1y6fA1 PRO 1337 HB3 -0.06 0.24 0.25 -0.04 2.02 2.41 1y6fA1 PRO 1337 HG2 -0.02 -0.05 0.12 -0.04 2.03 2.05 1y6fA1 PRO 1337 HG3 0.01 0.19 0.14 -0.04 2.03 2.33 1y6fA1 PRO 1337 HD2 0.03 0.01 0.21 -0.04 3.68 3.90 1y6fA1 PRO 1337 HD3 0.05 0.19 0.28 -0.04 3.65 4.13 1y6fA1 LEU 1338 H -0.02 0.53 0.19 -0.55 8.37 8.52 1y6fA1 LEU 1338 HA 0.16 0.04 0.45 -0.75 4.35 4.24 1y6fA1 LEU 1338 HB2 -0.02 0.14 0.17 -0.04 1.64 1.89 1y6fA1 LEU 1338 HB3 0.37 -0.09 0.00 -0.04 1.64 1.88 1y6fA1 LEU 1338 HG 0.10 -0.03 -0.09 -0.04 1.64 1.58 1y6fA1 LEU 1338 HD13 0.04 0.03 -0.47 -0.04 0.93 0.48 1y6fA1 LEU 1338 HD23 0.04 -0.02 -0.13 -0.04 0.89 0.74 1y6fA1 THR 1339 H -0.31 0.37 -0.19 -0.55 8.28 7.60 1y6fA1 THR 1339 HA -0.62 0.08 0.45 -0.75 4.39 3.55 1y6fA1 THR 1339 HB -0.46 0.01 -0.03 -0.04 4.32 3.80 1y6fA1 THR 1339 HG23 -1.75 -0.04 -0.13 -0.04 1.22 -0.74 1y6fA1 SER 1340 H 0.03 0.36 -0.66 -0.55 8.46 7.64 1y6fA1 SER 1340 HA -0.08 0.12 0.60 -0.75 4.49 4.37 1y6fA1 SER 1340 HB2 -0.09 -0.04 0.09 -0.04 3.95 3.87 1y6fA1 SER 1340 HB3 -0.03 -0.05 0.00 -0.04 3.93 3.81 1y6fA1 HIS 1341 H 0.11 0.28 -0.34 -0.55 8.41 7.91 1y6fA1 HIS 1341 HA -0.11 0.21 0.93 -0.75 4.63 4.91 1y6fA1 HIS 1341 HB2 -0.68 0.04 -0.04 -0.04 3.26 2.54 1y6fA1 HIS 1341 HB3 -0.32 -0.00 -0.08 -0.04 3.20 2.76 1y6fA1 HIS 1341 HD2 -0.07 -0.04 -0.15 -0.04 6.97 6.66 1y6fA1 HIS 1341 HE1 0.23 -0.06 -0.07 -0.04 7.75 7.81 1y6fA1 ASP 1342 H -0.04 0.19 0.04 -0.55 8.40 8.04 1y6fA1 ASP 1342 HA -0.03 0.08 0.54 -0.75 4.63 4.47 1y6fA1 ASP 1342 HB2 -0.03 0.02 0.13 -0.04 2.71 2.78 1y6fA1 ASP 1342 HB3 -0.03 0.02 0.24 -0.04 2.70 2.89 1y6fA1 SER 1343 H -0.11 0.42 0.03 -0.55 8.46 8.25 1y6fA1 SER 1343 HA -0.27 0.23 0.59 -0.75 4.49 4.29 1y6fA1 SER 1343 HB2 -0.42 -0.02 0.05 -0.04 3.95 3.52 1y6fA1 SER 1343 HB3 -1.01 0.05 -0.04 -0.04 3.93 2.89 1y6fA1 GLY 1344 H -0.11 0.11 -0.04 -0.55 8.43 7.84 1y6fA1 GLY 1344 HA2 -0.11 -0.02 0.32 -0.51 4.01 3.69 1y6fA1 GLY 1344 HA3 -0.11 0.31 0.69 -0.51 4.01 4.39 1y6fA1 ILE 1345 H -0.30 -0.11 -0.61 -0.55 8.25 6.68 1y6fA1 ILE 1345 HA -0.56 0.20 0.42 -0.75 4.18 3.48 1y6fA1 ILE 1345 HB -0.83 -0.04 -0.05 -0.04 1.89 0.92 1y6fA1 ILE 1345 HG12 -0.62 0.03 -0.04 -0.04 1.49 0.82 1y6fA1 ILE 1345 HG13 -0.29 0.08 -0.09 -0.04 1.21 0.88 1y6fA1 ILE 1345 HG23 -1.92 -0.03 -0.30 -0.04 0.93 -1.36 1y6fA1 ILE 1345 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.71 1y6fA1 ILE 1346 H -0.63 0.59 0.22 -0.55 8.25 7.89 1y6fA1 ILE 1346 HA -0.31 0.17 0.89 -0.75 4.18 4.18 1y6fA1 ILE 1346 HB -0.23 0.02 0.21 -0.04 1.89 1.85 1y6fA1 ILE 1346 HG12 -0.13 -0.00 -0.12 -0.04 1.49 1.20 1y6fA1 ILE 1346 HG13 -0.19 0.15 -0.16 -0.04 1.21 0.98 1y6fA1 ILE 1346 HG23 -0.11 -0.03 -0.22 -0.04 0.93 0.54 1y6fA1 ILE 1346 HD13 0.03 -0.00 -0.14 -0.04 0.88 0.72 1y6fA1 TRP 1347 H -0.23 0.23 -0.04 -0.55 7.97 7.38 1y6fA1 TRP 1347 HA 0.04 0.09 0.41 -0.75 4.62 4.41 1y6fA1 TRP 1347 HB2 -0.06 0.02 0.05 -0.04 3.23 3.19 1y6fA1 TRP 1347 HB3 -0.03 -0.10 -0.11 -0.04 3.23 2.95 1y6fA1 TRP 1347 HD1 -0.07 0.04 -0.01 -0.04 7.22 7.15 1y6fA1 TRP 1347 HE1 -0.11 0.11 -0.02 -0.04 10.20 10.14 1y6fA1 TRP 1347 HE3 0.15 0.01 -0.43 -0.04 7.59 7.28 1y6fA1 TRP 1347 HZ2 -0.10 0.18 -0.17 -0.04 7.44 7.31 1y6fA1 TRP 1347 HZ3 0.30 -0.04 -0.11 -0.04 7.13 7.24 1y6fA1 TRP 1347 HH2 0.18 0.01 -0.13 -0.04 7.19 7.22 1y6fA1 PHE 1348 H 0.31 1.04 0.39 -0.55 8.34 9.53 1y6fA1 PHE 1348 HA -0.13 0.05 0.41 -0.75 4.62 4.21 1y6fA1 PHE 1348 HB2 0.04 0.18 -0.05 -0.04 3.15 3.28 1y6fA1 PHE 1348 HB3 -0.00 -0.22 0.06 -0.04 3.06 2.86 1y6fA1 PHE 1348 HD2 -0.28 -0.04 -0.27 -0.04 7.28 6.65 1y6fA1 PHE 1348 HE2 -0.64 0.00 -0.13 -0.04 7.38 6.57 1y6fA1 PHE 1348 HZ -0.18 0.07 -0.06 -0.04 7.32 7.11 1y6fA1 ASP 1349 H -0.52 0.26 0.09 -0.55 8.40 7.69 1y6fA1 ASP 1349 HA -0.36 0.08 0.95 -0.75 4.63 4.55 1y6fA1 ASP 1349 HB2 -0.16 0.14 -0.03 -0.04 2.71 2.61 1y6fA1 ASP 1349 HB3 -0.21 0.08 0.05 -0.04 2.70 2.57 1y6fA1 GLU 1350 H -0.46 0.19 0.07 -0.55 8.60 7.85 1y6fA1 GLU 1350 HA 0.08 0.10 0.33 -0.75 4.29 4.04 1y6fA1 GLU 1350 HB2 -0.03 -0.00 0.11 -0.04 2.09 2.12 1y6fA1 GLU 1350 HB3 0.09 0.01 0.06 -0.04 1.99 2.11 1y6fA1 GLU 1350 HG2 0.21 0.05 -0.09 -0.04 2.34 2.47 1y6fA1 GLU 1350 HG3 0.39 -0.01 0.05 -0.04 2.34 2.74 1y6fA1 ASN 1351 H -0.07 0.07 -0.27 -0.55 8.53 7.72 1y6fA1 ASN 1351 HA 0.03 0.19 0.68 -0.75 4.76 4.91 1y6fA1 ASN 1351 HB2 -0.01 -0.02 0.07 -0.04 2.88 2.87 1y6fA1 ASN 1351 HB3 0.01 0.07 0.20 -0.04 2.79 3.02 1y6fA1 ASN 1351 HD21 0.07 0.02 -0.01 -0.04 7.03 7.07 1y6fA1 ASN 1351 HD22 0.03 0.00 0.01 -0.04 7.74 7.74 1y6fA1 ASP 1352 H -0.09 0.32 -0.69 -0.55 8.40 7.40 1y6fA1 ASP 1352 HA -0.02 0.05 0.37 -0.75 4.63 4.28 1y6fA1 ASP 1352 HB2 -0.05 0.34 0.01 -0.04 2.71 2.97 1y6fA1 ASP 1352 HB3 -0.11 -0.05 -0.03 -0.04 2.70 2.46 1y6fA1 MET 1353 H -0.06 0.25 0.11 -0.55 8.47 8.22 1y6fA1 MET 1353 HA -0.48 0.09 0.51 -0.75 4.52 3.88 1y6fA1 MET 1353 HB2 -0.26 0.06 0.04 -0.04 2.15 1.96 1y6fA1 MET 1353 HB3 -0.19 0.03 0.11 -0.04 2.03 1.94 1y6fA1 MET 1353 HG2 -0.26 -0.01 -0.01 -0.04 2.63 2.31 1y6fA1 MET 1353 HG3 0.03 0.09 0.12 -0.04 2.56 2.77 1y6fA1 MET 1353 HE3 0.40 0.02 -0.07 -0.04 2.10 2.41 1y6fA1 GLU 1354 H -0.07 0.05 -0.39 -0.55 8.60 7.64 1y6fA1 GLU 1354 HA -0.02 0.18 0.52 -0.75 4.29 4.21 1y6fA1 GLU 1354 HB2 0.31 0.06 0.04 -0.04 2.09 2.46 1y6fA1 GLU 1354 HB3 0.09 -0.04 0.04 -0.04 1.99 2.04 1y6fA1 GLU 1354 HG2 0.09 -0.00 -0.31 -0.04 2.34 2.08 1y6fA1 GLU 1354 HG3 0.23 0.04 0.00 -0.04 2.34 2.58 1y6fA1 SER 1355 H -0.06 0.19 -0.09 -0.55 8.46 7.96 1y6fA1 SER 1355 HA -0.01 0.12 0.46 -0.75 4.49 4.30 1y6fA1 SER 1355 HB2 -0.04 0.05 0.06 -0.04 3.95 3.98 1y6fA1 SER 1355 HB3 -0.03 0.00 0.10 -0.04 3.93 3.96 1y6fA1 THR 1356 H -0.16 0.16 -0.36 -0.55 8.28 7.37 1y6fA1 THR 1356 HA -0.12 0.10 0.36 -0.75 4.39 3.98 1y6fA1 THR 1356 HB -0.36 0.13 0.10 -0.04 4.32 4.15 1y6fA1 THR 1356 HG23 -0.32 0.01 -0.18 -0.04 1.22 0.68 1y6fA1 PHE 1357 H 0.06 0.45 -0.14 -0.55 8.34 8.16 1y6fA1 PHE 1357 HA 0.12 0.04 0.34 -0.75 4.62 4.37 1y6fA1 PHE 1357 HB2 -0.21 0.03 0.13 -0.04 3.15 3.06 1y6fA1 PHE 1357 HB3 -0.04 0.05 0.15 -0.04 3.06 3.18 1y6fA1 PHE 1357 HD2 0.11 -0.04 -0.04 -0.04 7.28 7.27 1y6fA1 PHE 1357 HE2 0.02 0.02 -0.08 -0.04 7.38 7.30 1y6fA1 PHE 1357 HZ 0.00 0.08 -0.05 -0.04 7.32 7.32 1y6fA1 GLU 1358 H 0.01 0.48 -0.31 -0.55 8.60 8.23 1y6fA1 GLU 1358 HA -0.22 0.04 0.38 -0.75 4.29 3.73 1y6fA1 GLU 1358 HB2 -0.03 0.09 0.14 -0.04 2.09 2.25 1y6fA1 GLU 1358 HB3 -0.05 -0.04 0.01 -0.04 1.99 1.87 1y6fA1 GLU 1358 HG2 0.05 0.35 0.09 -0.04 2.34 2.80 1y6fA1 GLU 1358 HG3 0.01 -0.08 -0.02 -0.04 2.34 2.21 1y6fA1 ARG 1359 H -0.07 0.44 -0.28 -0.55 8.46 8.00 1y6fA1 ARG 1359 HA -0.05 -0.02 0.40 -0.75 4.34 3.92 1y6fA1 ARG 1359 HB2 -0.06 0.12 0.20 -0.04 1.90 2.12 1y6fA1 ARG 1359 HB3 -0.06 0.04 -0.00 -0.04 1.80 1.74 1y6fA1 ARG 1359 HG2 -0.03 -0.03 0.04 -0.04 1.67 1.60 1y6fA1 ARG 1359 HG3 -0.05 -0.02 -0.00 -0.04 1.67 1.56 1y6fA1 ARG 1359 HD2 -0.02 0.05 -0.08 -0.04 3.22 3.13 1y6fA1 ARG 1359 HD3 -0.02 -0.07 0.12 -0.04 3.22 3.21 1y6fA1 ILE 1360 H -0.12 0.45 -0.17 -0.55 8.25 7.86 1y6fA1 ILE 1360 HA -0.16 0.01 0.30 -0.75 4.18 3.58 1y6fA1 ILE 1360 HB -0.19 0.13 0.11 -0.04 1.89 1.90 1y6fA1 ILE 1360 HG12 -0.52 0.00 -0.05 -0.04 1.49 0.88 1y6fA1 ILE 1360 HG13 -0.11 0.12 -0.01 -0.04 1.21 1.17 1y6fA1 ILE 1360 HG23 -0.99 -0.00 -0.16 -0.04 0.93 -0.26 1y6fA1 ILE 1360 HD13 0.11 -0.03 -0.12 -0.04 0.88 0.80 1y6fA1 LYS 1361 H -0.32 0.46 -0.31 -0.55 8.42 7.70 1y6fA1 LYS 1361 HA -0.17 0.05 0.37 -0.75 4.32 3.82 1y6fA1 LYS 1361 HB2 -0.25 0.13 0.20 -0.04 1.87 1.91 1y6fA1 LYS 1361 HB3 -0.18 -0.06 -0.00 -0.04 1.79 1.50 1y6fA1 LYS 1361 HG2 -0.51 0.00 -0.01 -0.04 1.46 0.91 1y6fA1 LYS 1361 HG3 -1.11 0.19 0.01 -0.04 1.46 0.50 1y6fA1 LYS 1361 HD2 -0.87 -0.02 -0.10 -0.04 1.69 0.65 1y6fA1 LYS 1361 HD3 -0.41 -0.08 -0.08 -0.04 1.68 1.06 1y6fA1 LYS 1361 HE2 -0.13 -0.01 -0.02 -0.04 2.99 2.79 1y6fA1 LYS 1361 HE3 -0.12 0.03 -0.02 -0.04 2.99 2.85 1y6fA1 GLU 1362 H -0.07 0.56 -0.02 -0.55 8.60 8.52 1y6fA1 GLU 1362 HA -0.01 -0.03 0.41 -0.75 4.29 3.90 1y6fA1 GLU 1362 HB2 0.00 0.08 0.21 -0.04 2.09 2.34 1y6fA1 GLU 1362 HB3 0.00 -0.09 0.05 -0.04 1.99 1.91 1y6fA1 GLU 1362 HG2 -0.03 -0.07 0.06 -0.04 2.34 2.27 1y6fA1 GLU 1362 HG3 -0.05 0.32 0.12 -0.04 2.34 2.69 1y6fA1 LEU 1363 H 0.07 0.54 -0.03 -0.55 8.37 8.41 1y6fA1 LEU 1363 HA 0.14 -0.08 0.35 -0.75 4.35 4.01 1y6fA1 LEU 1363 HB2 0.35 0.12 0.06 -0.04 1.64 2.13 1y6fA1 LEU 1363 HB3 0.38 -0.02 0.02 -0.04 1.64 1.98 1y6fA1 LEU 1363 HG 0.07 -0.01 0.04 -0.04 1.64 1.70 1y6fA1 LEU 1363 HD13 0.04 -0.00 -0.05 -0.04 0.93 0.87 1y6fA1 LEU 1363 HD23 0.04 -0.03 -0.09 -0.04 0.89 0.77 1y6fA1 SER 1364 H 0.14 0.34 -0.62 -0.55 8.46 7.77 1y6fA1 SER 1364 HA 0.13 -0.01 0.47 -0.75 4.49 4.34 1y6fA1 SER 1364 HB2 0.03 0.08 0.18 -0.04 3.95 4.20 1y6fA1 SER 1364 HB3 0.09 -0.11 0.06 -0.04 3.93 3.93 1y6fA1 SER 1365 H 0.04 0.53 -0.14 -0.55 8.46 8.33 1y6fA1 SER 1365 HA 0.00 0.10 0.76 -0.75 4.49 4.59 1y6fA1 SER 1365 HB2 0.00 -0.12 0.05 -0.04 3.95 3.85 1y6fA1 SER 1365 HB3 -0.00 -0.00 0.10 -0.04 3.93 3.98 1y6fA1 ASP 1366 H 0.02 0.25 0.14 -0.55 8.40 8.27 1y6fA1 ASP 1366 HA 0.00 0.18 0.97 -0.75 4.63 5.03 1y6fA1 ASP 1366 HB2 0.02 -0.09 0.11 -0.04 2.71 2.71 1y6fA1 ASP 1366 HB3 0.01 0.06 0.10 -0.04 2.70 2.83 1y6fA1 ARG 1367 H -0.00 0.20 0.20 -0.55 8.46 8.30 1y6fA1 ARG 1367 HA 0.02 0.24 0.54 -0.75 4.34 4.38 1y6fA1 ARG 1367 HB2 -0.01 -0.05 0.09 -0.04 1.90 1.89 1y6fA1 ARG 1367 HB3 -0.03 -0.01 0.10 -0.04 1.80 1.82 1y6fA1 ARG 1367 HG2 -0.14 0.14 -0.01 -0.04 1.67 1.61 1y6fA1 ARG 1367 HG3 -0.05 0.04 0.08 -0.04 1.67 1.70 1y6fA1 ARG 1367 HD2 -0.05 -0.05 0.04 -0.04 3.22 3.12 1y6fA1 ARG 1367 HD3 -0.07 -0.08 -0.06 -0.04 3.22 2.97 1y6fA1 ALA 1368 H 0.03 0.08 -0.14 -0.55 8.40 7.82 1y6fA1 ALA 1368 HA 0.05 0.11 0.43 -0.75 4.34 4.16 1y6fA1 ALA 1368 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 1y6fA1 LEU 1369 H 0.05 0.13 -0.15 -0.55 8.37 7.85 1y6fA1 LEU 1369 HA 0.03 0.07 0.41 -0.75 4.35 4.10 1y6fA1 LEU 1369 HB2 0.03 -0.03 0.06 -0.04 1.64 1.65 1y6fA1 LEU 1369 HB3 0.05 0.14 0.05 -0.04 1.64 1.84 1y6fA1 LEU 1369 HG 0.02 0.04 -0.20 -0.04 1.64 1.45 1y6fA1 LEU 1369 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 1y6fA1 LEU 1369 HD23 0.02 0.01 -0.07 -0.04 0.89 0.81 1y6fA1 TYR 1370 H 0.15 0.25 -0.28 -0.55 8.29 7.85 1y6fA1 TYR 1370 HA -0.04 0.06 0.44 -0.75 4.56 4.26 1y6fA1 TYR 1370 HB2 -0.03 0.30 0.20 -0.04 3.06 3.48 1y6fA1 TYR 1370 HB3 -0.04 0.01 0.25 -0.04 2.98 3.15 1y6fA1 TYR 1370 HD2 -0.11 -0.03 -0.06 -0.04 7.15 6.92 1y6fA1 TYR 1370 HE2 -0.54 0.07 -0.01 -0.04 6.85 6.32 1y6fA1 ASP 1371 H 0.20 0.60 0.01 -0.55 8.40 8.66 1y6fA1 ASP 1371 HA 0.07 0.05 0.40 -0.75 4.63 4.40 1y6fA1 ASP 1371 HB2 0.14 0.05 0.21 -0.04 2.71 3.08 1y6fA1 ASP 1371 HB3 0.09 0.06 0.08 -0.04 2.70 2.90 1y6fA1 ARG 1372 H 0.03 0.17 -0.95 -0.55 8.46 7.16 1y6fA1 ARG 1372 HA 0.04 0.02 0.58 -0.75 4.34 4.22 1y6fA1 ARG 1372 HB2 0.03 0.13 0.13 -0.04 1.90 2.15 1y6fA1 ARG 1372 HB3 0.01 0.15 0.13 -0.04 1.80 2.05 1y6fA1 ARG 1372 HG2 0.02 -0.04 0.07 -0.04 1.67 1.67 1y6fA1 ARG 1372 HG3 0.02 -0.03 0.03 -0.04 1.67 1.65 1y6fA1 ARG 1372 HD2 0.00 0.01 -0.05 -0.04 3.22 3.14 1y6fA1 ARG 1372 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.14 1y6fA1 GLU 1373 H -0.07 0.59 0.02 -0.55 8.60 8.60 1y6fA1 GLU 1373 HA -0.05 0.01 0.65 -0.75 4.29 4.14 1y6fA1 GLU 1373 HB2 -0.20 0.15 0.22 -0.04 2.09 2.22 1y6fA1 GLU 1373 HB3 -0.14 0.03 0.15 -0.04 1.99 1.98 1y6fA1 GLU 1373 HG2 -0.04 0.21 0.09 -0.04 2.34 2.56 1y6fA1 GLU 1373 HG3 -0.06 -0.04 0.02 -0.04 2.34 2.21 1y6fA1 ARG 1374 H -0.12 0.39 -0.07 -0.55 8.46 8.11 1y6fA1 ARG 1374 HA -0.08 0.14 0.38 -0.75 4.34 4.02 1y6fA1 ARG 1374 HB2 0.17 -0.04 0.13 -0.04 1.90 2.12 1y6fA1 ARG 1374 HB3 0.17 -0.00 -0.05 -0.04 1.80 1.87 1y6fA1 ARG 1374 HG2 -0.48 0.04 -0.23 -0.04 1.67 0.96 1y6fA1 ARG 1374 HG3 -0.42 0.02 -0.10 -0.04 1.67 1.13 1y6fA1 ARG 1374 HD2 -0.78 -0.10 -0.08 -0.04 3.22 2.23 1y6fA1 ARG 1374 HD3 -0.32 0.18 -0.02 -0.04 3.22 3.02 1y6fA1 GLU 1375 H 0.16 0.35 -0.15 -0.55 8.60 8.41 1y6fA1 GLU 1375 HA 0.16 -0.00 0.36 -0.75 4.29 4.05 1y6fA1 GLU 1375 HB2 0.07 0.12 0.09 -0.04 2.09 2.33 1y6fA1 GLU 1375 HB3 0.05 -0.06 0.03 -0.04 1.99 1.96 1y6fA1 GLU 1375 HG2 0.17 0.21 0.19 -0.04 2.34 2.86 1y6fA1 GLU 1375 HG3 0.06 -0.01 0.10 -0.04 2.34 2.44 1y6fA1 LYS 1376 H 0.06 0.32 -0.37 -0.55 8.42 7.88 1y6fA1 LYS 1376 HA 0.10 -0.05 0.43 -0.75 4.32 4.04 1y6fA1 LYS 1376 HB2 -0.00 0.10 0.00 -0.04 1.87 1.93 1y6fA1 LYS 1376 HB3 0.00 0.03 -0.10 -0.04 1.79 1.69 1y6fA1 LYS 1376 HG2 0.03 -0.06 0.03 -0.04 1.46 1.42 1y6fA1 LYS 1376 HG3 0.04 -0.01 0.07 -0.04 1.46 1.51 1y6fA1 LYS 1376 HD2 0.01 -0.08 -0.01 -0.04 1.69 1.57 1y6fA1 LYS 1376 HD3 -0.00 0.16 -0.02 -0.04 1.68 1.77 1y6fA1 LYS 1376 HE2 -0.03 -0.01 -0.26 -0.04 2.99 2.65 1y6fA1 LYS 1376 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 1y6fA1 ALA 1377 H 0.07 0.49 -0.16 -0.55 8.40 8.25 1y6fA1 ALA 1377 HA 0.07 0.06 0.63 -0.75 4.34 4.34 1y6fA1 ALA 1377 HB3 -0.03 -0.00 0.13 -0.04 1.41 1.47 1y6fA1 TYR 1378 H 0.32 0.77 0.01 -0.55 8.29 8.83 1y6fA1 TYR 1378 HA 0.20 -0.04 0.39 -0.75 4.56 4.35 1y6fA1 TYR 1378 HB2 0.35 0.15 0.03 -0.04 3.06 3.56 1y6fA1 TYR 1378 HB3 0.10 0.09 0.15 -0.04 2.98 3.27 1y6fA1 TYR 1378 HD2 0.12 0.11 -0.18 -0.04 7.15 7.16 1y6fA1 TYR 1378 HE2 -0.06 0.00 -0.07 -0.04 6.85 6.69 1y6fA1 GLU 1379 H 0.28 0.77 0.01 -0.55 8.60 9.12 1y6fA1 GLU 1379 HA 0.13 -0.03 0.46 -0.75 4.29 4.09 1y6fA1 GLU 1379 HB2 0.19 0.05 0.13 -0.04 2.09 2.42 1y6fA1 GLU 1379 HB3 0.18 0.12 0.11 -0.04 1.99 2.35 1y6fA1 GLU 1379 HG2 0.13 0.02 0.01 -0.04 2.34 2.45 1y6fA1 GLU 1379 HG3 0.20 -0.03 -0.06 -0.04 2.34 2.41 1y6fA1 PHE 1380 H 0.27 0.49 -0.36 -0.55 8.34 8.19 1y6fA1 PHE 1380 HA 0.09 0.01 0.50 -0.75 4.62 4.46 1y6fA1 PHE 1380 HB2 -0.02 0.17 0.19 -0.04 3.15 3.45 1y6fA1 PHE 1380 HB3 0.01 0.14 0.22 -0.04 3.06 3.38 1y6fA1 PHE 1380 HD2 -0.21 0.02 -0.04 -0.04 7.28 7.02 1y6fA1 PHE 1380 HE2 -1.05 -0.03 -0.03 -0.04 7.38 6.23 1y6fA1 PHE 1380 HZ -0.56 -0.01 0.02 -0.04 7.32 6.73 1y6fA1 LEU 1381 H 0.16 0.66 -0.06 -0.55 8.37 8.59 1y6fA1 LEU 1381 HA -0.02 0.00 0.49 -0.75 4.35 4.07 1y6fA1 LEU 1381 HB2 0.09 0.22 0.17 -0.04 1.64 2.09 1y6fA1 LEU 1381 HB3 0.08 -0.10 -0.01 -0.04 1.64 1.56 1y6fA1 LEU 1381 HG 0.19 -0.11 -0.07 -0.04 1.64 1.61 1y6fA1 LEU 1381 HD13 0.22 -0.02 -0.08 -0.04 0.93 1.01 1y6fA1 LEU 1381 HD23 0.21 0.05 0.01 -0.04 0.89 1.12 1y6fA1 TYR 1382 H 0.04 0.54 -0.30 -0.55 8.29 8.01 1y6fA1 TYR 1382 HA -0.07 -0.10 0.45 -0.75 4.56 4.09 1y6fA1 TYR 1382 HB2 -0.45 0.03 0.10 -0.04 3.06 2.70 1y6fA1 TYR 1382 HB3 -0.07 0.16 0.21 -0.04 2.98 3.24 1y6fA1 TYR 1382 HD2 0.05 -0.01 -0.02 -0.04 7.15 7.13 1y6fA1 TYR 1382 HE2 0.14 -0.03 -0.01 -0.04 6.85 6.90 1y6fA1 GLN 1383 H 0.25 0.61 -0.06 -0.55 8.47 8.72 1y6fA1 GLN 1383 HA 0.08 -0.01 0.35 -0.75 4.36 4.03 1y6fA1 GLN 1383 HB2 0.29 0.25 0.26 -0.04 2.15 2.90 1y6fA1 GLN 1383 HB3 0.36 -0.03 0.04 -0.04 2.02 2.34 1y6fA1 GLN 1383 HG2 0.27 -0.03 0.02 -0.04 2.40 2.62 1y6fA1 GLN 1383 HG3 -0.09 -0.02 0.06 -0.04 2.39 2.30 1y6fA1 GLN 1383 HE21 0.31 -0.01 0.00 -0.04 6.97 7.23 1y6fA1 GLN 1383 HE22 0.10 -0.01 0.01 -0.04 7.69 7.75 1y6fA1 HIS 1384 H 0.08 0.43 -0.30 -0.55 8.41 8.07 1y6fA1 HIS 1384 HA -0.28 0.00 0.54 -0.75 4.63 4.13 1y6fA1 HIS 1384 HB2 -0.02 -0.00 0.14 -0.04 3.26 3.33 1y6fA1 HIS 1384 HB3 -0.17 0.06 0.12 -0.04 3.20 3.17 1y6fA1 HIS 1384 HD2 -0.08 -0.03 -0.24 -0.04 6.97 6.58 1y6fA1 HIS 1384 HE1 0.00 0.33 -0.02 -0.04 7.75 8.02 1y6fA1 GLN 1385 H -0.01 0.44 -0.06 -0.55 8.47 8.30 1y6fA1 GLN 1385 HA -0.14 0.19 0.78 -0.75 4.36 4.42 1y6fA1 GLN 1385 HB2 0.16 -0.00 -0.36 -0.04 2.15 1.90 1y6fA1 GLN 1385 HB3 0.03 -0.03 0.01 -0.04 2.02 1.98 1y6fA1 GLN 1385 HG2 -0.09 -0.06 -0.01 -0.04 2.40 2.20 1y6fA1 GLN 1385 HG3 -0.14 0.03 -0.01 -0.04 2.39 2.23 1y6fA1 GLN 1385 HE21 -0.14 0.20 0.03 -0.04 6.97 7.03 1y6fA1 GLN 1385 HE22 -0.20 0.57 -0.03 -0.04 7.69 7.99 1y6fA1 ASP 1386 H -0.11 0.49 0.17 -0.55 8.40 8.40 1y6fA1 ASP 1386 HA -0.06 0.19 0.69 -0.75 4.63 4.70 1y6fA1 ASP 1386 HB2 -0.42 0.10 0.29 -0.04 2.71 2.64 1y6fA1 ASP 1386 HB3 -0.69 0.04 0.12 -0.04 2.70 2.14 1y6fA1 SER 1387 H -0.00 0.25 0.10 -0.55 8.46 8.27 1y6fA1 SER 1387 HA -0.07 0.05 0.36 -0.75 4.49 4.08 1y6fA1 SER 1387 HB2 0.19 -0.04 0.02 -0.04 3.95 4.09 1y6fA1 SER 1387 HB3 0.45 0.12 -0.07 -0.04 3.93 4.39 1y6fA1 SER 1388 H -0.09 0.02 -0.09 -0.55 8.46 7.75 1y6fA1 SER 1388 HA 0.10 0.10 0.28 -0.75 4.49 4.21 1y6fA1 SER 1388 HB2 -0.25 0.10 0.02 -0.04 3.95 3.78 1y6fA1 SER 1388 HB3 -0.19 -0.07 0.09 -0.04 3.93 3.72 1y6fA1 PHE 1389 H -0.41 0.10 -0.60 -0.55 8.34 6.88 1y6fA1 PHE 1389 HA -0.03 0.19 0.80 -0.75 4.62 4.83 1y6fA1 PHE 1389 HB2 -0.19 0.03 0.06 -0.04 3.15 3.00 1y6fA1 PHE 1389 HB3 -0.13 0.04 -0.01 -0.04 3.06 2.91 1y6fA1 PHE 1389 HD2 -0.18 0.06 -0.05 -0.04 7.28 7.07 1y6fA1 PHE 1389 HE2 -0.34 0.02 -0.08 -0.04 7.38 6.94 1y6fA1 PHE 1389 HZ 0.10 -0.02 -0.05 -0.04 7.32 7.31 1y6fA1 CYS 1390 H -0.06 0.41 0.08 -0.55 8.50 8.39 1y6fA1 CYS 1390 HA -0.11 0.06 0.41 -0.75 4.58 4.19 1y6fA1 CYS 1390 HB2 -0.33 -0.04 0.07 -0.04 2.97 2.62 1y6fA1 CYS 1390 HB3 -0.26 -0.00 0.04 -0.04 2.97 2.70 1y6fA1 PHE 1391 H -0.35 0.35 0.02 -0.55 8.34 7.81 1y6fA1 PHE 1391 HA -0.53 0.03 0.45 -0.75 4.62 3.83 1y6fA1 PHE 1391 HB2 -1.54 0.09 0.02 -0.04 3.15 1.68 1y6fA1 PHE 1391 HB3 -2.77 0.04 -0.06 -0.04 3.06 0.23 1y6fA1 PHE 1391 HD2 -0.44 -0.05 -0.01 -0.04 7.28 6.74 1y6fA1 PHE 1391 HE2 -0.37 -0.03 -0.18 -0.04 7.38 6.76 1y6fA1 PHE 1391 HZ -0.71 0.03 -0.16 -0.04 7.32 6.44 1y6fA1 LYS 1392 H -0.12 0.28 -0.48 -0.55 8.42 7.54 1y6fA1 LYS 1392 HA 0.14 0.04 0.41 -0.75 4.32 4.16 1y6fA1 LYS 1392 HB2 0.28 0.02 0.09 -0.04 1.87 2.23 1y6fA1 LYS 1392 HB3 0.13 0.20 0.15 -0.04 1.79 2.22 1y6fA1 LYS 1392 HG2 0.14 -0.00 -0.10 -0.04 1.46 1.46 1y6fA1 LYS 1392 HG3 0.23 -0.05 0.04 -0.04 1.46 1.63 1y6fA1 LYS 1392 HD2 0.21 -0.01 0.02 -0.04 1.69 1.87 1y6fA1 LYS 1392 HD3 0.16 0.02 0.03 -0.04 1.68 1.85 1y6fA1 LYS 1392 HE2 0.11 -0.01 0.00 -0.04 2.99 3.05 1y6fA1 LYS 1392 HE3 0.12 -0.02 -0.01 -0.04 2.99 3.05 1y6fA1 GLU 1393 H -0.03 0.41 -0.13 -0.55 8.60 8.30 1y6fA1 GLU 1393 HA 0.03 0.04 0.43 -0.75 4.29 4.04 1y6fA1 GLU 1393 HB2 -0.02 0.03 0.12 -0.04 2.09 2.19 1y6fA1 GLU 1393 HB3 -0.04 0.08 0.20 -0.04 1.99 2.19 1y6fA1 GLU 1393 HG2 0.02 -0.01 -0.08 -0.04 2.34 2.22 1y6fA1 GLU 1393 HG3 -0.00 -0.01 0.05 -0.04 2.34 2.34 1y6fA1 GLN 1394 H -0.08 0.48 -0.08 -0.55 8.47 8.25 1y6fA1 GLN 1394 HA 0.08 0.04 0.40 -0.75 4.36 4.13 1y6fA1 GLN 1394 HB2 -0.06 0.06 0.12 -0.04 2.15 2.23 1y6fA1 GLN 1394 HB3 -0.16 -0.04 -0.03 -0.04 2.02 1.75 1y6fA1 GLN 1394 HG2 -0.32 -0.01 -0.00 -0.04 2.40 2.02 1y6fA1 GLN 1394 HG3 -0.09 0.09 0.10 -0.04 2.39 2.44 1y6fA1 GLN 1394 HE21 -0.09 0.12 0.02 -0.04 6.97 6.98 1y6fA1 GLN 1394 HE22 -0.06 -0.11 0.05 -0.04 7.69 7.52 1y6fA1 PHE 1395 H 0.01 0.80 -0.07 -0.55 8.34 8.52 1y6fA1 PHE 1395 HA 0.08 -0.02 0.32 -0.75 4.62 4.24 1y6fA1 PHE 1395 HB2 -0.22 -0.04 0.06 -0.04 3.15 2.92 1y6fA1 PHE 1395 HB3 0.08 0.06 0.13 -0.04 3.06 3.29 1y6fA1 PHE 1395 HD2 0.32 -0.02 -0.11 -0.04 7.28 7.43 1y6fA1 PHE 1395 HE2 0.13 0.01 -0.04 -0.04 7.38 7.44 1y6fA1 PHE 1395 HZ 0.21 0.09 -0.01 -0.04 7.32 7.57 1y6fA1 ASP 1396 H 0.14 0.49 -0.39 -0.55 8.40 8.09 1y6fA1 ASP 1396 HA -0.03 0.02 0.49 -0.75 4.63 4.36 1y6fA1 ASP 1396 HB2 0.05 0.17 0.19 -0.04 2.71 3.07 1y6fA1 ASP 1396 HB3 0.03 -0.06 0.04 -0.04 2.70 2.67 1y6fA1 ILE 1397 H -0.03 0.39 -0.07 -0.55 8.25 7.99 1y6fA1 ILE 1397 HA -0.23 0.10 0.46 -0.75 4.18 3.76 1y6fA1 ILE 1397 HB -0.01 0.04 0.13 -0.04 1.89 2.02 1y6fA1 ILE 1397 HG12 -0.33 -0.02 0.03 -0.04 1.49 1.13 1y6fA1 ILE 1397 HG13 -0.09 0.15 0.08 -0.04 1.21 1.31 1y6fA1 ILE 1397 HG23 -1.10 -0.02 -0.10 -0.04 0.93 -0.32 1y6fA1 ILE 1397 HD13 -0.03 -0.05 -0.03 -0.04 0.88 0.73 1y6fA1 ILE 1398 H -0.03 0.53 -0.21 -0.55 8.25 7.99 1y6fA1 ILE 1398 HA -0.05 0.02 0.34 -0.75 4.18 3.73 1y6fA1 ILE 1398 HB -0.05 0.09 0.06 -0.04 1.89 1.95 1y6fA1 ILE 1398 HG12 0.22 -0.05 -0.10 -0.04 1.49 1.52 1y6fA1 ILE 1398 HG13 0.27 0.17 -0.07 -0.04 1.21 1.54 1y6fA1 ILE 1398 HG23 0.01 -0.02 -0.15 -0.04 0.93 0.73 1y6fA1 ILE 1398 HD13 0.29 -0.04 -0.14 -0.04 0.88 0.94 1y6fA1 THR 1399 H -0.25 0.27 -0.33 -0.55 8.28 7.43 1y6fA1 THR 1399 HA -0.15 0.13 0.70 -0.75 4.39 4.32 1y6fA1 THR 1399 HB -0.31 0.02 0.13 -0.04 4.32 4.12 1y6fA1 THR 1399 HG23 -0.07 -0.02 -0.16 -0.04 1.22 0.93 1y6fA1 LYS 1400 H -0.10 0.64 0.01 -0.55 8.42 8.42 1y6fA1 LYS 1400 HA -0.03 0.19 0.70 -0.75 4.32 4.41 1y6fA1 LYS 1400 HB2 -0.02 -0.03 0.01 -0.04 1.87 1.78 1y6fA1 LYS 1400 HB3 -0.03 0.05 0.10 -0.04 1.79 1.87 1y6fA1 LYS 1400 HG2 -0.01 0.02 0.05 -0.04 1.46 1.48 1y6fA1 LYS 1400 HG3 0.00 -0.05 0.02 -0.04 1.46 1.39 1y6fA1 LYS 1400 HD2 -0.01 0.04 0.04 -0.04 1.69 1.73 1y6fA1 LYS 1400 HD3 0.00 -0.05 0.02 -0.04 1.68 1.61 1y6fA1 LYS 1400 HE2 0.00 -0.04 0.01 -0.04 2.99 2.93 1y6fA1 LYS 1400 HE3 -0.01 0.06 0.02 -0.04 2.99 3.01