============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 8.958 -17.710 5.889 -99.200 -91.000 TRP 10 1.040 12.518 -24.054 12.576 -99.200 -91.000 TRP6 10 1.020 13.749 -25.730 11.462 -99.200 -91.000 TYR 30 0.840 1.247 -38.872 8.591 -99.200 -91.000 TRP 35 1.040 7.574 -36.177 9.931 -99.200 -91.000 TRP6 35 1.020 5.439 -35.707 9.034 -99.200 -91.000 HIS 40 0.900 8.021 -31.709 4.583 -99.200 -91.000 PHE 41 1.000 13.143 -34.999 9.664 -99.200 -91.000 TRP 57 1.040 14.738 -28.482 17.894 -99.200 -91.000 TRP6 57 1.020 13.471 -26.980 19.198 -99.200 -91.000 TYR 58 0.840 9.926 -34.285 13.987 -99.200 -91.000 TYR 60 0.840 1.949 -25.843 13.313 -99.200 -91.000 PHE 66 1.000 0.087 -34.524 4.792 -99.200 -91.000 HIS 73 0.900 -8.261 -26.324 8.203 -99.200 -91.000 HIS 74 0.900 -13.456 -26.042 1.653 -99.200 -91.000 HIS 75 0.900 -9.266 -19.485 8.571 -99.200 -91.000 HIS 76 0.900 -10.613 -17.604 1.765 -99.200 -91.000 HIS 77 0.900 -17.520 -20.663 3.248 -99.200 -91.000 HIS 78 0.900 -14.392 -24.581 11.463 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA7 MET 1 HA 0.00 -0.03 0.15 -0.75 4.52 3.89 2kvvA7 MET 1 HB2 0.00 -0.02 0.05 -0.04 2.15 2.15 2kvvA7 MET 1 HB3 0.00 -0.01 0.05 -0.04 2.03 2.03 2kvvA7 MET 1 HG2 0.01 -0.01 -0.00 -0.04 2.63 2.58 2kvvA7 MET 1 HG3 0.01 0.02 -0.25 -0.04 2.56 2.29 2kvvA7 MET 1 HE3 0.01 -0.00 -0.03 -0.04 2.10 2.03 2kvvA7 ALA 2 H 0.01 0.35 0.08 -0.55 8.40 8.29 2kvvA7 ALA 2 HA 0.01 0.06 0.58 -0.75 4.34 4.23 2kvvA7 ALA 2 HB3 0.01 0.02 -0.12 -0.04 1.41 1.28 2kvvA7 GLN 3 H 0.01 0.16 0.08 -0.55 8.47 8.18 2kvvA7 GLN 3 HA 0.02 0.11 0.68 -0.75 4.36 4.42 2kvvA7 GLN 3 HB2 0.01 0.02 0.09 -0.04 2.15 2.23 2kvvA7 GLN 3 HB3 0.01 0.00 0.21 -0.04 2.02 2.21 2kvvA7 GLN 3 HG2 0.02 0.01 -0.00 -0.04 2.40 2.39 2kvvA7 GLN 3 HG3 0.02 0.02 0.02 -0.04 2.39 2.41 2kvvA7 GLN 3 HE21 0.04 -0.00 -0.01 -0.04 6.97 6.95 2kvvA7 GLN 3 HE22 0.07 0.40 0.12 -0.04 7.69 8.24 2kvvA7 ILE 4 H 0.03 0.29 0.08 -0.55 8.25 8.10 2kvvA7 ILE 4 HA 0.03 0.19 0.86 -0.75 4.18 4.51 2kvvA7 ILE 4 HB 0.03 0.02 0.18 -0.04 1.89 2.08 2kvvA7 ILE 4 HG12 0.02 0.05 -0.37 -0.04 1.49 1.15 2kvvA7 ILE 4 HG13 0.02 0.00 -0.07 -0.04 1.21 1.13 2kvvA7 ILE 4 HG23 0.04 -0.01 0.01 -0.04 0.93 0.93 2kvvA7 ILE 4 HD13 0.01 0.05 -0.18 -0.04 0.88 0.72 2kvvA7 ILE 5 H 0.06 0.28 -0.25 -0.55 8.25 7.79 2kvvA7 ILE 5 HA 0.05 0.15 0.80 -0.75 4.18 4.43 2kvvA7 ILE 5 HB 0.04 -0.01 0.07 -0.04 1.89 1.94 2kvvA7 ILE 5 HG12 0.01 0.01 -0.05 -0.04 1.49 1.42 2kvvA7 ILE 5 HG13 0.02 0.16 -0.08 -0.04 1.21 1.27 2kvvA7 ILE 5 HG23 0.01 -0.00 -0.13 -0.04 0.93 0.76 2kvvA7 ILE 5 HD13 0.03 -0.06 -0.24 -0.04 0.88 0.56 2kvvA7 PHE 6 H 0.11 0.29 0.10 -0.55 8.34 8.28 2kvvA7 PHE 6 HA -0.01 0.07 0.40 -0.75 4.62 4.33 2kvvA7 PHE 6 HB2 0.00 0.19 -0.06 -0.04 3.15 3.24 2kvvA7 PHE 6 HB3 0.01 -0.03 -0.11 -0.04 3.06 2.89 2kvvA7 PHE 6 HD2 0.01 0.02 -0.05 -0.04 7.28 7.22 2kvvA7 PHE 6 HE2 0.03 -0.01 -0.05 -0.04 7.38 7.31 2kvvA7 PHE 6 HZ 0.06 -0.01 -0.04 -0.04 7.32 7.29 2kvvA7 ASN 7 H -1.02 0.30 0.18 -0.55 8.53 7.44 2kvvA7 ASN 7 HA -0.22 0.12 0.44 -0.75 4.76 4.36 2kvvA7 ASN 7 HB2 -0.10 0.20 -0.08 -0.04 2.88 2.87 2kvvA7 ASN 7 HB3 -0.19 -0.05 -0.02 -0.04 2.79 2.49 2kvvA7 ASN 7 HD21 0.11 0.04 0.04 -0.04 7.03 7.18 2kvvA7 ASN 7 HD22 0.06 0.01 -0.03 -0.04 7.74 7.74 2kvvA7 GLU 8 H -0.10 0.16 0.12 -0.55 8.60 8.24 2kvvA7 GLU 8 HA -0.12 0.23 0.80 -0.75 4.29 4.45 2kvvA7 GLU 8 HB2 0.23 0.02 0.16 -0.04 2.09 2.47 2kvvA7 GLU 8 HB3 0.05 0.06 -0.13 -0.04 1.99 1.93 2kvvA7 GLU 8 HG2 0.10 0.00 -0.08 -0.04 2.34 2.32 2kvvA7 GLU 8 HG3 0.13 0.05 -0.01 -0.04 2.34 2.46 2kvvA7 GLU 9 H -0.04 0.06 0.01 -0.55 8.60 8.08 2kvvA7 GLU 9 HA 0.12 0.13 0.56 -0.75 4.29 4.35 2kvvA7 GLU 9 HB2 0.13 -0.08 0.19 -0.04 2.09 2.28 2kvvA7 GLU 9 HB3 -0.00 0.07 0.04 -0.04 1.99 2.05 2kvvA7 GLU 9 HG2 0.03 -0.13 0.07 -0.04 2.34 2.27 2kvvA7 GLU 9 HG3 -0.03 0.06 0.03 -0.04 2.34 2.36 2kvvA7 TRP 10 H 0.43 0.29 0.31 -0.55 7.97 8.46 2kvvA7 TRP 10 HA 0.19 0.20 0.87 -0.75 4.62 5.13 2kvvA7 TRP 10 HB2 0.02 0.01 0.13 -0.04 3.23 3.34 2kvvA7 TRP 10 HB3 0.25 -0.05 -0.07 -0.04 3.23 3.33 2kvvA7 TRP 10 HD1 -0.02 0.36 0.04 -0.04 7.22 7.56 2kvvA7 TRP 10 HE1 -0.03 0.01 -0.04 -0.04 10.20 10.10 2kvvA7 TRP 10 HE3 0.19 -0.07 -0.24 -0.04 7.59 7.43 2kvvA7 TRP 10 HZ2 -0.01 0.04 -0.07 -0.04 7.44 7.36 2kvvA7 TRP 10 HZ3 0.07 -0.05 -0.14 -0.04 7.13 6.98 2kvvA7 TRP 10 HH2 -0.00 0.04 -0.16 -0.04 7.19 7.02 2kvvA7 MET 11 H 0.44 0.67 0.29 -0.55 8.47 9.32 2kvvA7 MET 11 HA 0.28 0.08 0.67 -0.75 4.52 4.79 2kvvA7 MET 11 HB2 0.07 -0.09 -0.02 -0.04 2.15 2.07 2kvvA7 MET 11 HB3 0.16 0.15 -0.22 -0.04 2.03 2.08 2kvvA7 MET 11 HG2 0.18 0.06 -0.10 -0.04 2.63 2.73 2kvvA7 MET 11 HG3 0.15 -0.05 -0.11 -0.04 2.56 2.51 2kvvA7 MET 11 HE3 -0.13 0.02 -0.16 -0.04 2.10 1.79 2kvvA7 VAL 12 H -0.42 0.15 0.16 -0.55 8.24 7.58 2kvvA7 VAL 12 HA -0.14 0.23 0.69 -0.75 4.13 4.16 2kvvA7 VAL 12 HB -0.25 -0.03 0.21 -0.04 2.12 2.00 2kvvA7 VAL 12 HG13 -1.23 0.07 -0.02 -0.04 0.97 -0.26 2kvvA7 VAL 12 HG23 -0.27 -0.05 -0.02 -0.04 0.95 0.58 2kvvA7 GLU 13 H 0.15 0.27 0.20 -0.55 8.60 8.68 2kvvA7 GLU 13 HA 0.07 0.10 0.30 -0.75 4.29 4.00 2kvvA7 GLU 13 HB2 0.26 0.10 0.14 -0.04 2.09 2.54 2kvvA7 GLU 13 HB3 0.06 -0.05 0.17 -0.04 1.99 2.13 2kvvA7 GLU 13 HG2 -0.00 -0.01 -0.30 -0.04 2.34 1.98 2kvvA7 GLU 13 HG3 -0.04 0.01 -0.04 -0.04 2.34 2.23 2kvvA7 LYS 14 H -0.02 0.12 -0.07 -0.55 8.42 7.90 2kvvA7 LYS 14 HA -0.01 0.07 0.32 -0.75 4.32 3.95 2kvvA7 LYS 14 HB2 -0.03 0.01 0.10 -0.04 1.87 1.90 2kvvA7 LYS 14 HB3 -0.05 -0.01 0.02 -0.04 1.79 1.71 2kvvA7 LYS 14 HG2 -0.02 0.01 0.06 -0.04 1.46 1.47 2kvvA7 LYS 14 HG3 -0.02 0.03 0.01 -0.04 1.46 1.44 2kvvA7 LYS 14 HD2 -0.02 0.01 -0.44 -0.04 1.69 1.20 2kvvA7 LYS 14 HD3 -0.02 0.05 -0.06 -0.04 1.68 1.61 2kvvA7 LYS 14 HE2 -0.03 0.02 -0.03 -0.04 2.99 2.91 2kvvA7 LYS 14 HE3 -0.05 -0.07 -0.09 -0.04 2.99 2.74 2kvvA7 ALA 15 H -0.04 0.06 -0.41 -0.55 8.40 7.46 2kvvA7 ALA 15 HA -0.02 0.13 0.54 -0.75 4.34 4.25 2kvvA7 ALA 15 HB3 -0.03 0.02 0.06 -0.04 1.41 1.42 2kvvA7 LEU 16 H 0.04 0.64 -0.10 -0.55 8.37 8.41 2kvvA7 LEU 16 HA 0.09 0.03 0.24 -0.75 4.35 3.96 2kvvA7 LEU 16 HB2 0.11 0.12 -0.11 -0.04 1.64 1.72 2kvvA7 LEU 16 HB3 0.01 0.01 0.04 -0.04 1.64 1.67 2kvvA7 LEU 16 HG -0.02 -0.00 -0.12 -0.04 1.64 1.46 2kvvA7 LEU 16 HD13 0.07 -0.02 -0.27 -0.04 0.93 0.67 2kvvA7 LEU 16 HD23 0.15 0.00 -0.08 -0.04 0.89 0.92 2kvvA7 MET 17 H 0.01 0.60 -0.16 -0.55 8.47 8.37 2kvvA7 MET 17 HA 0.03 -0.10 0.19 -0.75 4.52 3.89 2kvvA7 MET 17 HB2 0.01 0.29 -0.21 -0.04 2.15 2.20 2kvvA7 MET 17 HB3 -0.00 -0.12 -0.15 -0.04 2.03 1.72 2kvvA7 MET 17 HG2 -0.00 0.11 0.03 -0.04 2.63 2.72 2kvvA7 MET 17 HG3 0.00 0.10 -0.14 -0.04 2.56 2.49 2kvvA7 MET 17 HE3 -0.01 -0.05 -0.18 -0.04 2.10 1.82 2kvvA7 VAL 18 H 0.01 0.22 -0.49 -0.55 8.24 7.43 2kvvA7 VAL 18 HA 0.01 0.10 0.51 -0.75 4.13 3.99 2kvvA7 VAL 18 HB -0.01 0.10 0.17 -0.04 2.12 2.34 2kvvA7 VAL 18 HG13 -0.01 -0.01 -0.05 -0.04 0.97 0.86 2kvvA7 VAL 18 HG23 -0.01 0.04 0.08 -0.04 0.95 1.03 2kvvA7 ARG 19 H 0.01 0.50 -0.00 -0.55 8.46 8.41 2kvvA7 ARG 19 HA -0.04 0.06 0.36 -0.75 4.34 3.96 2kvvA7 ARG 19 HB2 -0.01 -0.00 0.05 -0.04 1.90 1.89 2kvvA7 ARG 19 HB3 -0.38 -0.04 0.04 -0.04 1.80 1.38 2kvvA7 ARG 19 HG2 -0.05 0.32 0.07 -0.04 1.67 1.96 2kvvA7 ARG 19 HG3 -0.15 -0.10 -0.08 -0.04 1.67 1.30 2kvvA7 ARG 19 HD2 -0.19 -0.01 -0.00 -0.04 3.22 2.97 2kvvA7 ARG 19 HD3 -0.08 0.03 -0.06 -0.04 3.22 3.06 2kvvA7 THR 20 H 0.09 0.39 -0.25 -0.55 8.28 7.96 2kvvA7 THR 20 HA 0.17 0.16 0.73 -0.75 4.39 4.69 2kvvA7 THR 20 HB 0.08 -0.02 -0.00 -0.04 4.32 4.33 2kvvA7 THR 20 HG23 0.15 -0.00 -0.08 -0.04 1.22 1.25 2kvvA7 GLY 21 H 0.05 0.32 -0.15 -0.55 8.43 8.10 2kvvA7 GLY 21 HA2 0.02 0.05 0.38 -0.51 4.01 3.96 2kvvA7 GLY 21 HA3 0.03 0.13 0.81 -0.51 4.01 4.47 2kvvA7 LEU 22 H 0.05 -0.04 -0.15 -0.55 8.37 7.69 2kvvA7 LEU 22 HA 0.04 0.13 0.49 -0.75 4.35 4.26 2kvvA7 LEU 22 HB2 0.05 -0.01 -0.01 -0.04 1.64 1.63 2kvvA7 LEU 22 HB3 0.04 -0.16 0.12 -0.04 1.64 1.60 2kvvA7 LEU 22 HG 0.11 0.01 -0.03 -0.04 1.64 1.70 2kvvA7 LEU 22 HD13 0.07 0.02 -0.19 -0.04 0.93 0.79 2kvvA7 LEU 22 HD23 0.04 -0.00 -0.09 -0.04 0.89 0.80 2kvvA7 GLY 23 H 0.02 0.12 0.18 -0.55 8.43 8.20 2kvvA7 GLY 23 HA2 -0.01 0.24 0.68 -0.51 4.01 4.41 2kvvA7 GLY 23 HA3 -0.01 0.08 0.31 -0.51 4.01 3.88 2kvvA7 ALA 24 H -0.02 0.27 0.14 -0.55 8.40 8.24 2kvvA7 ALA 24 HA -0.05 0.06 0.31 -0.75 4.34 3.91 2kvvA7 ALA 24 HB3 -0.03 0.04 0.11 -0.04 1.41 1.49 2kvvA7 ARG 25 H -0.04 0.12 -0.10 -0.55 8.46 7.90 2kvvA7 ARG 25 HA -0.06 0.11 0.33 -0.75 4.34 3.96 2kvvA7 ARG 25 HB2 -0.04 0.01 0.09 -0.04 1.90 1.92 2kvvA7 ARG 25 HB3 -0.04 0.01 -0.00 -0.04 1.80 1.72 2kvvA7 ARG 25 HG2 -0.07 0.03 -0.05 -0.04 1.67 1.54 2kvvA7 ARG 25 HG3 -0.05 0.02 0.04 -0.04 1.67 1.64 2kvvA7 ARG 25 HD2 -0.03 -0.01 -0.00 -0.04 3.22 3.13 2kvvA7 ARG 25 HD3 -0.04 0.02 -0.05 -0.04 3.22 3.11 2kvvA7 GLN 26 H -0.05 0.05 -0.37 -0.55 8.47 7.55 2kvvA7 GLN 26 HA -0.14 0.16 0.58 -0.75 4.36 4.21 2kvvA7 GLN 26 HB2 -0.02 0.04 0.07 -0.04 2.15 2.20 2kvvA7 GLN 26 HB3 0.01 -0.13 0.17 -0.04 2.02 2.03 2kvvA7 GLN 26 HG2 0.26 -0.01 -0.15 -0.04 2.40 2.46 2kvvA7 GLN 26 HG3 -0.02 0.03 0.05 -0.04 2.39 2.41 2kvvA7 GLN 26 HE21 0.13 0.07 -0.03 -0.04 6.97 7.10 2kvvA7 GLN 26 HE22 0.23 0.01 -0.02 -0.04 7.69 7.87 2kvvA7 ILE 27 H -0.08 0.60 0.03 -0.55 8.25 8.26 2kvvA7 ILE 27 HA -0.23 0.05 0.40 -0.75 4.18 3.65 2kvvA7 ILE 27 HB -0.13 0.03 0.08 -0.04 1.89 1.84 2kvvA7 ILE 27 HG12 -0.02 0.01 -0.06 -0.04 1.49 1.37 2kvvA7 ILE 27 HG13 -0.04 0.17 -0.01 -0.04 1.21 1.29 2kvvA7 ILE 27 HG23 -0.28 -0.01 -0.13 -0.04 0.93 0.47 2kvvA7 ILE 27 HD13 -0.05 -0.03 -0.18 -0.04 0.88 0.58 2kvvA7 GLU 28 H -0.15 0.62 -0.04 -0.55 8.60 8.48 2kvvA7 GLU 28 HA -0.18 0.02 0.38 -0.75 4.29 3.76 2kvvA7 GLU 28 HB2 -0.09 0.01 0.02 -0.04 2.09 1.99 2kvvA7 GLU 28 HB3 -0.09 -0.02 0.09 -0.04 1.99 1.93 2kvvA7 GLU 28 HG2 -0.11 0.05 0.13 -0.04 2.34 2.37 2kvvA7 GLU 28 HG3 -0.12 0.07 -0.10 -0.04 2.34 2.14 2kvvA7 SER 29 H -0.22 0.23 -0.47 -0.55 8.46 7.46 2kvvA7 SER 29 HA -0.20 0.06 0.43 -0.75 4.49 4.04 2kvvA7 SER 29 HB2 -0.22 0.06 0.15 -0.04 3.95 3.90 2kvvA7 SER 29 HB3 -0.42 0.17 0.19 -0.04 3.93 3.82 2kvvA7 TYR 30 H -0.47 0.45 -0.07 -0.55 8.29 7.65 2kvvA7 TYR 30 HA -0.38 0.04 0.50 -0.75 4.56 3.96 2kvvA7 TYR 30 HB2 -1.47 0.10 0.16 -0.04 3.06 1.81 2kvvA7 TYR 30 HB3 -1.85 -0.09 0.05 -0.04 2.98 1.06 2kvvA7 TYR 30 HD2 -0.36 -0.02 -0.02 -0.04 7.15 6.70 2kvvA7 TYR 30 HE2 -0.02 -0.02 -0.04 -0.04 6.85 6.74 2kvvA7 ARG 31 H -0.49 0.50 -0.35 -0.55 8.46 7.57 2kvvA7 ARG 31 HA -0.07 -0.04 0.49 -0.75 4.34 3.97 2kvvA7 ARG 31 HB2 -0.18 0.16 0.12 -0.04 1.90 1.96 2kvvA7 ARG 31 HB3 -0.03 -0.03 0.07 -0.04 1.80 1.77 2kvvA7 ARG 31 HG2 -0.12 -0.07 -0.04 -0.04 1.67 1.41 2kvvA7 ARG 31 HG3 -0.57 0.19 -0.08 -0.04 1.67 1.17 2kvvA7 ARG 31 HD2 0.02 0.01 -0.05 -0.04 3.22 3.17 2kvvA7 ARG 31 HD3 0.07 -0.08 -0.09 -0.04 3.22 3.07 2kvvA7 GLN 32 H -0.15 0.37 -0.58 -0.55 8.47 7.55 2kvvA7 GLN 32 HA -0.01 0.10 0.65 -0.75 4.36 4.34 2kvvA7 GLN 32 HB2 -0.09 0.16 0.14 -0.04 2.15 2.31 2kvvA7 GLN 32 HB3 -0.04 -0.06 0.17 -0.04 2.02 2.04 2kvvA7 GLN 32 HG2 -0.05 -0.06 -0.02 -0.04 2.40 2.23 2kvvA7 GLN 32 HG3 -0.11 0.35 0.13 -0.04 2.39 2.72 2kvvA7 GLN 32 HE21 -0.04 0.00 0.01 -0.04 6.97 6.90 2kvvA7 GLN 32 HE22 -0.05 -0.04 -0.00 -0.04 7.69 7.55 2kvvA7 GLY 33 H 0.00 0.17 -0.45 -0.55 8.43 7.61 2kvvA7 GLY 33 HA2 0.04 0.11 0.56 -0.51 4.01 4.21 2kvvA7 GLY 33 HA3 0.02 -0.01 0.25 -0.51 4.01 3.76 2kvvA7 ALA 34 H 0.08 0.26 0.27 -0.55 8.40 8.46 2kvvA7 ALA 34 HA 0.16 0.09 0.38 -0.75 4.34 4.22 2kvvA7 ALA 34 HB3 0.23 -0.02 0.10 -0.04 1.41 1.68 2kvvA7 TRP 35 H 0.46 0.43 0.05 -0.55 7.97 8.36 2kvvA7 TRP 35 HA 0.23 -0.01 0.43 -0.75 4.62 4.52 2kvvA7 TRP 35 HB2 0.12 0.03 0.05 -0.04 3.23 3.39 2kvvA7 TRP 35 HB3 0.39 -0.03 -0.15 -0.04 3.23 3.40 2kvvA7 TRP 35 HD1 -0.17 -0.02 -0.12 -0.04 7.22 6.88 2kvvA7 TRP 35 HE1 -0.70 -0.07 -0.09 -0.04 10.20 9.30 2kvvA7 TRP 35 HE3 -0.00 -0.14 -0.51 -0.04 7.59 6.89 2kvvA7 TRP 35 HZ2 -0.28 -0.04 -0.07 -0.04 7.44 7.01 2kvvA7 TRP 35 HZ3 -0.64 0.05 -0.07 -0.04 7.13 6.43 2kvvA7 TRP 35 HH2 -0.59 0.02 -0.04 -0.04 7.19 6.54 2kvvA7 ILE 36 H 0.15 0.08 0.17 -0.55 8.25 8.10 2kvvA7 ILE 36 HA 0.06 0.21 0.88 -0.75 4.18 4.57 2kvvA7 ILE 36 HB -0.32 -0.15 0.16 -0.04 1.89 1.54 2kvvA7 ILE 36 HG12 -0.01 0.09 -0.15 -0.04 1.49 1.38 2kvvA7 ILE 36 HG13 -0.06 0.17 -0.42 -0.04 1.21 0.86 2kvvA7 ILE 36 HG23 -0.12 0.05 -0.03 -0.04 0.93 0.79 2kvvA7 ILE 36 HD13 -0.13 -0.01 -0.01 -0.04 0.88 0.69 2kvvA7 GLU 37 H -0.27 0.21 0.12 -0.55 8.60 8.11 2kvvA7 GLU 37 HA -1.33 0.17 0.47 -0.75 4.29 2.85 2kvvA7 GLU 37 HB2 -0.41 0.01 0.05 -0.04 2.09 1.70 2kvvA7 GLU 37 HB3 -0.19 0.04 0.08 -0.04 1.99 1.88 2kvvA7 GLU 37 HG2 -0.15 0.05 0.02 -0.04 2.34 2.22 2kvvA7 GLU 37 HG3 -0.28 -0.06 0.06 -0.04 2.34 2.02 2kvvA7 GLY 38 H -0.23 0.50 0.40 -0.55 8.43 8.55 2kvvA7 GLY 38 HA2 -0.02 -0.01 0.43 -0.51 4.01 3.89 2kvvA7 GLY 38 HA3 -0.07 0.12 0.66 -0.51 4.01 4.21 2kvvA7 VAL 39 H -0.17 0.28 -0.88 -0.55 8.24 6.92 2kvvA7 VAL 39 HA -0.01 0.17 0.74 -0.75 4.13 4.28 2kvvA7 VAL 39 HB -0.21 -0.05 0.13 -0.04 2.12 1.95 2kvvA7 VAL 39 HG13 0.05 -0.00 -0.07 -0.04 0.97 0.90 2kvvA7 VAL 39 HG23 -0.08 0.04 -0.05 -0.04 0.95 0.82 2kvvA7 HIS 40 H -0.11 0.54 0.27 -0.55 8.41 8.57 2kvvA7 HIS 40 HA -0.23 0.12 0.71 -0.75 4.63 4.47 2kvvA7 HIS 40 HB2 -0.08 -0.16 0.21 -0.04 3.26 3.19 2kvvA7 HIS 40 HB3 -0.45 -0.05 0.12 -0.04 3.20 2.77 2kvvA7 HIS 40 HD2 -0.33 0.00 -0.05 -0.04 6.97 6.54 2kvvA7 HIS 40 HE1 -0.08 0.02 -0.04 -0.04 7.75 7.62 2kvvA7 PHE 41 H -0.18 0.28 -0.01 -0.55 8.34 7.88 2kvvA7 PHE 41 HA -0.02 0.12 0.38 -0.75 4.62 4.34 2kvvA7 PHE 41 HB2 -0.10 0.15 0.04 -0.04 3.15 3.19 2kvvA7 PHE 41 HB3 0.08 0.05 -0.02 -0.04 3.06 3.13 2kvvA7 PHE 41 HD2 0.02 -0.02 -0.36 -0.04 7.28 6.89 2kvvA7 PHE 41 HE2 0.19 0.01 -0.42 -0.04 7.38 7.13 2kvvA7 PHE 41 HZ 0.17 0.10 -0.18 -0.04 7.32 7.37 2kvvA7 LYS 42 H 0.45 0.56 0.26 -0.55 8.42 9.13 2kvvA7 LYS 42 HA 0.06 0.02 0.35 -0.75 4.32 3.99 2kvvA7 LYS 42 HB2 0.08 -0.01 0.19 -0.04 1.87 2.09 2kvvA7 LYS 42 HB3 0.08 0.05 0.12 -0.04 1.79 2.00 2kvvA7 LYS 42 HG2 0.57 -0.03 -0.25 -0.04 1.46 1.71 2kvvA7 LYS 42 HG3 0.17 0.01 -0.33 -0.04 1.46 1.27 2kvvA7 LYS 42 HD2 -0.04 -0.00 -0.09 -0.04 1.69 1.52 2kvvA7 LYS 42 HD3 0.02 0.06 -0.04 -0.04 1.68 1.67 2kvvA7 LYS 42 HE2 0.09 -0.06 0.04 -0.04 2.99 3.01 2kvvA7 LYS 42 HE3 0.29 0.06 -0.07 -0.04 2.99 3.22 2kvvA7 ARG 43 H 0.10 0.15 0.13 -0.55 8.46 8.29 2kvvA7 ARG 43 HA 0.16 0.07 0.59 -0.75 4.34 4.40 2kvvA7 ARG 43 HB2 0.06 -0.01 0.14 -0.04 1.90 2.05 2kvvA7 ARG 43 HB3 0.07 0.06 -0.09 -0.04 1.80 1.80 2kvvA7 ARG 43 HG2 0.10 0.11 -0.08 -0.04 1.67 1.76 2kvvA7 ARG 43 HG3 0.14 -0.12 -0.08 -0.04 1.67 1.56 2kvvA7 ARG 43 HD2 0.06 0.05 -0.05 -0.04 3.22 3.24 2kvvA7 ARG 43 HD3 0.08 0.04 -0.03 -0.04 3.22 3.27 2kvvA7 VAL 44 H 0.21 0.69 0.38 -0.55 8.24 8.96 2kvvA7 VAL 44 HA -0.06 0.15 0.91 -0.75 4.13 4.38 2kvvA7 VAL 44 HB 0.14 0.06 0.12 -0.04 2.12 2.40 2kvvA7 VAL 44 HG13 -0.34 0.05 0.01 -0.04 0.97 0.65 2kvvA7 VAL 44 HG23 -0.30 -0.00 -0.09 -0.04 0.95 0.52 2kvvA7 SER 45 H -0.06 0.11 0.14 -0.55 8.46 8.10 2kvvA7 SER 45 HA 0.02 0.03 0.38 -0.75 4.49 4.17 2kvvA7 SER 45 HB2 -0.04 -0.02 0.09 -0.04 3.95 3.94 2kvvA7 SER 45 HB3 -0.01 0.11 0.05 -0.04 3.93 4.05 2kvvA7 PRO 46 HA 0.09 0.05 0.48 -0.51 4.44 4.56 2kvvA7 PRO 46 HB2 0.03 0.18 -0.08 -0.04 2.28 2.38 2kvvA7 PRO 46 HB3 0.05 -0.03 0.09 -0.04 2.02 2.09 2kvvA7 PRO 46 HG2 0.03 -0.09 0.26 -0.04 2.03 2.18 2kvvA7 PRO 46 HG3 0.05 -0.08 0.12 -0.04 2.03 2.08 2kvvA7 PRO 46 HD2 0.02 0.13 0.16 -0.04 3.68 3.95 2kvvA7 PRO 46 HD3 0.03 0.12 0.26 -0.04 3.65 4.02 2kvvA7 SER 47 H 0.06 0.03 0.11 -0.55 8.46 8.11 2kvvA7 SER 47 HA 0.03 0.18 0.42 -0.75 4.49 4.36 2kvvA7 SER 47 HB2 0.04 0.06 0.02 -0.04 3.95 4.02 2kvvA7 SER 47 HB3 0.07 0.02 0.09 -0.04 3.93 4.07 2kvvA7 GLY 48 H 0.03 -0.01 0.07 -0.55 8.43 7.97 2kvvA7 GLY 48 HA2 0.01 0.13 0.36 -0.51 4.01 4.01 2kvvA7 GLY 48 HA3 0.02 -0.02 0.31 -0.51 4.01 3.81 2kvvA7 GLU 49 H 0.02 0.03 0.01 -0.55 8.60 8.11 2kvvA7 GLU 49 HA 0.01 0.25 0.89 -0.75 4.29 4.68 2kvvA7 GLU 49 HB2 0.01 -0.07 -0.02 -0.04 2.09 1.97 2kvvA7 GLU 49 HB3 0.01 0.07 -0.05 -0.04 1.99 1.98 2kvvA7 GLU 49 HG2 0.01 0.11 -0.10 -0.04 2.34 2.32 2kvvA7 GLU 49 HG3 0.01 -0.11 -0.31 -0.04 2.34 1.89 2kvvA7 LYS 50 H 0.01 0.18 0.09 -0.55 8.42 8.15 2kvvA7 LYS 50 HA 0.01 0.07 0.56 -0.75 4.32 4.21 2kvvA7 LYS 50 HB2 0.01 -0.01 0.17 -0.04 1.87 2.00 2kvvA7 LYS 50 HB3 0.01 0.05 0.03 -0.04 1.79 1.83 2kvvA7 LYS 50 HG2 0.00 0.04 -0.02 -0.04 1.46 1.45 2kvvA7 LYS 50 HG3 0.01 -0.02 -0.02 -0.04 1.46 1.39 2kvvA7 LYS 50 HD2 0.00 0.00 0.01 -0.04 1.69 1.66 2kvvA7 LYS 50 HD3 -0.00 0.03 -0.00 -0.04 1.68 1.67 2kvvA7 LYS 50 HE2 0.00 0.01 0.05 -0.04 2.99 3.01 2kvvA7 LYS 50 HE3 0.00 -0.03 0.05 -0.04 2.99 2.97 2kvvA7 THR 51 H 0.02 0.16 0.26 -0.55 8.28 8.17 2kvvA7 THR 51 HA 0.01 0.25 0.89 -0.75 4.39 4.79 2kvvA7 THR 51 HB 0.02 -0.08 0.18 -0.04 4.32 4.40 2kvvA7 THR 51 HG23 0.02 0.07 -0.16 -0.04 1.22 1.11 2kvvA7 LEU 52 H 0.02 0.19 0.16 -0.55 8.37 8.18 2kvvA7 LEU 52 HA 0.02 0.19 0.62 -0.75 4.35 4.42 2kvvA7 LEU 52 HB2 0.02 -0.02 0.07 -0.04 1.64 1.67 2kvvA7 LEU 52 HB3 0.02 0.05 0.11 -0.04 1.64 1.78 2kvvA7 LEU 52 HG 0.01 0.03 0.03 -0.04 1.64 1.67 2kvvA7 LEU 52 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 2kvvA7 LEU 52 HD23 0.01 -0.03 0.01 -0.04 0.89 0.85 2kvvA7 ARG 53 H 0.02 -0.10 -0.21 -0.55 8.46 7.63 2kvvA7 ARG 53 HA 0.03 0.16 0.61 -0.75 4.34 4.38 2kvvA7 ARG 53 HB2 0.03 -0.06 0.10 -0.04 1.90 1.93 2kvvA7 ARG 53 HB3 0.03 0.06 0.02 -0.04 1.80 1.87 2kvvA7 ARG 53 HG2 0.02 -0.12 0.02 -0.04 1.67 1.54 2kvvA7 ARG 53 HG3 0.02 0.02 0.02 -0.04 1.67 1.69 2kvvA7 ARG 53 HD2 0.02 0.05 -0.11 -0.04 3.22 3.14 2kvvA7 ARG 53 HD3 0.02 0.01 -0.03 -0.04 3.22 3.17 2kvvA7 GLY 54 H 0.03 -0.11 -0.08 -0.55 8.43 7.73 2kvvA7 GLY 54 HA2 0.05 0.01 0.30 -0.51 4.01 3.86 2kvvA7 GLY 54 HA3 0.06 0.12 0.28 -0.51 4.01 3.96 2kvvA7 THR 55 H 0.12 0.65 0.19 -0.55 8.28 8.68 2kvvA7 THR 55 HA 0.06 0.11 0.87 -0.75 4.39 4.67 2kvvA7 THR 55 HB 0.35 0.12 0.01 -0.04 4.32 4.76 2kvvA7 THR 55 HG23 -0.01 -0.02 -0.13 -0.04 1.22 1.02 2kvvA7 THR 56 H 0.00 0.16 0.09 -0.55 8.28 7.98 2kvvA7 THR 56 HA 0.18 0.23 0.72 -0.75 4.39 4.76 2kvvA7 THR 56 HB -0.14 -0.08 0.13 -0.04 4.32 4.20 2kvvA7 THR 56 HG23 -0.21 -0.00 -0.25 -0.04 1.22 0.72 2kvvA7 TRP 57 H 0.45 0.50 0.35 -0.55 7.97 8.72 2kvvA7 TRP 57 HA 0.03 0.03 0.70 -0.75 4.62 4.63 2kvvA7 TRP 57 HB2 0.35 0.05 0.07 -0.04 3.23 3.65 2kvvA7 TRP 57 HB3 0.42 -0.03 -0.13 -0.04 3.23 3.45 2kvvA7 TRP 57 HD1 0.03 0.23 -0.15 -0.04 7.22 7.29 2kvvA7 TRP 57 HE1 0.01 0.05 -0.12 -0.04 10.20 10.10 2kvvA7 TRP 57 HE3 0.24 -0.06 -0.58 -0.04 7.59 7.15 2kvvA7 TRP 57 HZ2 0.01 0.02 -0.04 -0.04 7.44 7.39 2kvvA7 TRP 57 HZ3 0.09 0.16 -0.02 -0.04 7.13 7.32 2kvvA7 TRP 57 HH2 0.03 0.02 -0.01 -0.04 7.19 7.19 2kvvA7 TYR 58 H 0.23 0.54 0.19 -0.55 8.29 8.70 2kvvA7 TYR 58 HA 0.13 0.14 0.90 -0.75 4.56 4.97 2kvvA7 TYR 58 HB2 0.03 0.09 0.10 -0.04 3.06 3.24 2kvvA7 TYR 58 HB3 -0.13 0.06 0.01 -0.04 2.98 2.88 2kvvA7 TYR 58 HD2 -0.11 0.03 -0.09 -0.04 7.15 6.94 2kvvA7 TYR 58 HE2 -0.21 -0.08 -0.04 -0.04 6.85 6.49 2kvvA7 ASN 59 H -0.13 0.75 0.31 -0.55 8.53 8.91 2kvvA7 ASN 59 HA -0.60 0.13 0.68 -0.75 4.76 4.21 2kvvA7 ASN 59 HB2 -0.41 0.03 0.25 -0.04 2.88 2.71 2kvvA7 ASN 59 HB3 -0.55 -0.09 0.03 -0.04 2.79 2.15 2kvvA7 ASN 59 HD21 -0.49 -0.03 -0.01 -0.04 7.03 6.46 2kvvA7 ASN 59 HD22 -0.63 0.02 -0.13 -0.04 7.74 6.96 2kvvA7 TYR 60 H -0.05 0.67 0.35 -0.55 8.29 8.71 2kvvA7 TYR 60 HA -0.14 -0.00 0.42 -0.75 4.56 4.08 2kvvA7 TYR 60 HB2 -0.04 0.01 0.06 -0.04 3.06 3.05 2kvvA7 TYR 60 HB3 -0.10 0.04 0.17 -0.04 2.98 3.05 2kvvA7 TYR 60 HD2 -0.06 -0.04 -0.09 -0.04 7.15 6.92 2kvvA7 TYR 60 HE2 -0.04 0.06 -0.19 -0.04 6.85 6.64 2kvvA7 PRO 61 HA -0.23 0.07 0.35 -0.51 4.44 4.12 2kvvA7 PRO 61 HB2 -0.26 0.12 -0.10 -0.04 2.28 1.99 2kvvA7 PRO 61 HB3 -0.23 -0.04 -0.02 -0.04 2.02 1.70 2kvvA7 PRO 61 HG2 -0.37 0.05 -0.08 -0.04 2.03 1.59 2kvvA7 PRO 61 HG3 -0.30 0.09 -0.33 -0.04 2.03 1.45 2kvvA7 PRO 61 HD2 -0.22 0.18 0.07 -0.04 3.68 3.67 2kvvA7 PRO 61 HD3 -0.04 -0.05 0.08 -0.04 3.65 3.61 2kvvA7 GLU 62 H -0.36 0.18 -0.39 -0.55 8.60 7.48 2kvvA7 GLU 62 HA -0.34 0.08 0.40 -0.75 4.29 3.68 2kvvA7 GLU 62 HB2 -0.56 0.17 0.22 -0.04 2.09 1.88 2kvvA7 GLU 62 HB3 -1.18 -0.01 0.02 -0.04 1.99 0.78 2kvvA7 GLU 62 HG2 -0.32 -0.09 0.05 -0.04 2.34 1.95 2kvvA7 GLU 62 HG3 -0.20 0.18 0.10 -0.04 2.34 2.37 2kvvA7 ILE 63 H -0.46 0.44 -0.04 -0.55 8.25 7.64 2kvvA7 ILE 63 HA -0.37 0.07 0.47 -0.75 4.18 3.60 2kvvA7 ILE 63 HB -0.31 0.06 0.11 -0.04 1.89 1.71 2kvvA7 ILE 63 HG12 -1.16 -0.02 -0.02 -0.04 1.49 0.25 2kvvA7 ILE 63 HG13 -0.61 0.17 0.08 -0.04 1.21 0.81 2kvvA7 ILE 63 HG23 -0.03 -0.01 -0.07 -0.04 0.93 0.77 2kvvA7 ILE 63 HD13 -0.28 -0.02 -0.10 -0.04 0.88 0.43 2kvvA7 ASN 64 H -0.50 0.75 -0.03 -0.55 8.53 8.21 2kvvA7 ASN 64 HA -0.28 0.04 0.51 -0.75 4.76 4.27 2kvvA7 ASN 64 HB2 -1.11 0.02 0.05 -0.04 2.88 1.81 2kvvA7 ASN 64 HB3 -0.42 0.03 0.10 -0.04 2.79 2.45 2kvvA7 ASN 64 HD21 -0.23 0.03 0.01 -0.04 7.03 6.80 2kvvA7 ASN 64 HD22 -0.02 0.02 -0.00 -0.04 7.74 7.69 2kvvA7 LYS 65 H -0.24 0.57 -0.20 -0.55 8.42 8.00 2kvvA7 LYS 65 HA -0.12 -0.01 0.46 -0.75 4.32 3.90 2kvvA7 LYS 65 HB2 -0.14 0.04 0.14 -0.04 1.87 1.88 2kvvA7 LYS 65 HB3 -0.16 0.19 0.20 -0.04 1.79 1.98 2kvvA7 LYS 65 HG2 -0.04 0.00 -0.18 -0.04 1.46 1.20 2kvvA7 LYS 65 HG3 -0.06 -0.05 0.04 -0.04 1.46 1.35 2kvvA7 LYS 65 HD2 -0.02 -0.01 -0.03 -0.04 1.69 1.59 2kvvA7 LYS 65 HD3 -0.06 -0.02 -0.02 -0.04 1.68 1.53 2kvvA7 LYS 65 HE2 -0.16 0.01 0.05 -0.04 2.99 2.85 2kvvA7 LYS 65 HE3 -0.04 0.01 -0.01 -0.04 2.99 2.91 2kvvA7 PHE 66 H -0.04 0.37 -0.35 -0.55 8.34 7.77 2kvvA7 PHE 66 HA -0.07 0.04 0.49 -0.75 4.62 4.33 2kvvA7 PHE 66 HB2 -0.11 0.03 0.12 -0.04 3.15 3.14 2kvvA7 PHE 66 HB3 -0.15 0.18 0.22 -0.04 3.06 3.27 2kvvA7 PHE 66 HD2 -0.03 0.03 -0.03 -0.04 7.28 7.21 2kvvA7 PHE 66 HE2 0.00 -0.00 -0.04 -0.04 7.38 7.30 2kvvA7 PHE 66 HZ 0.15 -0.00 -0.03 -0.04 7.32 7.39 2kvvA7 ILE 67 H -0.01 0.58 -0.02 -0.55 8.25 8.24 2kvvA7 ILE 67 HA -0.21 -0.01 0.43 -0.75 4.18 3.63 2kvvA7 ILE 67 HB -0.05 0.09 0.21 -0.04 1.89 2.10 2kvvA7 ILE 67 HG12 0.06 -0.06 0.05 -0.04 1.49 1.50 2kvvA7 ILE 67 HG13 0.04 0.29 0.13 -0.04 1.21 1.63 2kvvA7 ILE 67 HG23 0.06 -0.01 -0.05 -0.04 0.93 0.89 2kvvA7 ILE 67 HD13 -0.01 -0.02 -0.00 -0.04 0.88 0.81 2kvvA7 ARG 68 H -0.14 0.68 -0.13 -0.55 8.46 8.32 2kvvA7 ARG 68 HA -0.31 -0.07 0.51 -0.75 4.34 3.72 2kvvA7 ARG 68 HB2 -0.13 0.08 0.18 -0.04 1.90 1.98 2kvvA7 ARG 68 HB3 -0.17 -0.03 0.01 -0.04 1.80 1.57 2kvvA7 ARG 68 HG2 -0.23 -0.05 0.04 -0.04 1.67 1.39 2kvvA7 ARG 68 HG3 -0.12 0.14 0.06 -0.04 1.67 1.71 2kvvA7 ARG 68 HD2 -0.09 -0.03 -0.03 -0.04 3.22 3.02 2kvvA7 ARG 68 HD3 -0.11 -0.01 -0.09 -0.04 3.22 2.97 2kvvA7 ASP 69 H -0.14 0.60 -0.05 -0.55 8.40 8.26 2kvvA7 ASP 69 HA -0.09 -0.02 0.24 -0.75 4.63 4.00 2kvvA7 ASP 69 HB2 -0.06 0.03 0.16 -0.04 2.71 2.80 2kvvA7 ASP 69 HB3 -0.09 0.01 0.14 -0.04 2.70 2.72 2kvvA7 SER 70 H -0.31 0.45 -0.31 -0.55 8.46 7.74 2kvvA7 SER 70 HA -0.16 0.06 0.51 -0.75 4.49 4.15 2kvvA7 SER 70 HB2 -0.30 -0.06 0.01 -0.04 3.95 3.56 2kvvA7 SER 70 HB3 -0.65 -0.04 0.08 -0.04 3.93 3.28 2kvvA7 LEU 71 H -0.22 0.28 0.07 -0.55 8.37 7.96 2kvvA7 LEU 71 HA -0.08 0.04 0.41 -0.75 4.35 3.96 2kvvA7 LEU 71 HB2 -0.07 -0.07 0.12 -0.04 1.64 1.58 2kvvA7 LEU 71 HB3 -0.06 0.12 0.16 -0.04 1.64 1.83 2kvvA7 LEU 71 HG -0.02 -0.00 -0.31 -0.04 1.64 1.27 2kvvA7 LEU 71 HD13 -0.02 -0.00 0.02 -0.04 0.93 0.88 2kvvA7 LEU 71 HD23 0.06 -0.02 -0.03 -0.04 0.89 0.86 2kvvA7 GLU 72 H -0.19 0.32 0.00 -0.55 8.60 8.18 2kvvA7 GLU 72 HA -0.30 0.00 0.37 -0.75 4.29 3.61 2kvvA7 GLU 72 HB2 -0.13 0.15 -0.35 -0.04 2.09 1.71 2kvvA7 GLU 72 HB3 -0.23 -0.15 0.16 -0.04 1.99 1.73 2kvvA7 GLU 72 HG2 -0.13 0.36 -0.05 -0.04 2.34 2.48 2kvvA7 GLU 72 HG3 -0.06 -0.04 -0.05 -0.04 2.34 2.14 2kvvA7 HIS 73 H -0.53 0.12 0.01 -0.55 8.41 7.46 2kvvA7 HIS 73 HA -0.18 0.15 0.80 -0.75 4.63 4.65 2kvvA7 HIS 73 HB2 0.07 -0.03 -0.01 -0.04 3.26 3.25 2kvvA7 HIS 73 HB3 -0.03 0.06 0.04 -0.04 3.20 3.23 2kvvA7 HIS 73 HD2 -0.05 0.04 -0.01 -0.04 6.97 6.91 2kvvA7 HIS 73 HE1 -0.09 0.01 0.02 -0.04 7.75 7.65 2kvvA7 HIS 74 H -0.26 0.26 0.09 -0.55 8.41 7.96 2kvvA7 HIS 74 HA 0.03 0.06 0.18 -0.75 4.63 4.15 2kvvA7 HIS 74 HB2 0.14 -0.04 0.21 -0.04 3.26 3.52 2kvvA7 HIS 74 HB3 0.02 -0.00 0.06 -0.04 3.20 3.24 2kvvA7 HIS 74 HD2 0.09 -0.05 0.10 -0.04 6.97 7.06 2kvvA7 HIS 74 HE1 0.01 0.02 0.04 -0.04 7.75 7.78 2kvvA7 HIS 75 H 0.11 0.29 0.33 -0.55 8.41 8.60 2kvvA7 HIS 75 HA 0.10 -0.08 0.28 -0.75 4.63 4.17 2kvvA7 HIS 75 HB2 0.05 0.08 0.15 -0.04 3.26 3.51 2kvvA7 HIS 75 HB3 -0.13 -0.02 0.08 -0.04 3.20 3.09 2kvvA7 HIS 75 HD2 -0.11 -0.02 -0.05 -0.04 6.97 6.75 2kvvA7 HIS 75 HE1 -0.04 0.02 -0.00 -0.04 7.75 7.68 2kvvA7 HIS 76 H -0.02 0.03 -0.34 -0.55 8.41 7.54 2kvvA7 HIS 76 HA -0.17 0.14 0.53 -0.75 4.63 4.38 2kvvA7 HIS 76 HB2 -0.20 -0.05 -0.01 -0.04 3.26 2.97 2kvvA7 HIS 76 HB3 -0.21 0.04 0.08 -0.04 3.20 3.06 2kvvA7 HIS 76 HD2 -0.07 0.04 0.03 -0.04 6.97 6.92 2kvvA7 HIS 76 HE1 -0.01 0.01 -0.01 -0.04 7.75 7.70 2kvvA7 HIS 77 H 0.07 0.22 -0.51 -0.55 8.41 7.65 2kvvA7 HIS 77 HA 0.04 0.17 0.67 -0.75 4.63 4.75 2kvvA7 HIS 77 HB2 0.14 -0.00 0.11 -0.04 3.26 3.47 2kvvA7 HIS 77 HB3 0.09 -0.02 -0.00 -0.04 3.20 3.22 2kvvA7 HIS 77 HD2 0.03 0.12 0.10 -0.04 6.97 7.17 2kvvA7 HIS 77 HE1 -0.04 -0.02 -0.03 -0.04 7.75 7.62 2kvvA7 HIS 78 H 0.29 0.48 0.10 -0.55 8.41 8.74 2kvvA7 HIS 78 HA 0.10 0.24 0.67 -0.75 4.63 4.88 2kvvA7 HIS 78 HB2 0.11 -0.01 -0.10 -0.04 3.26 3.22 2kvvA7 HIS 78 HB3 0.14 -0.01 -0.06 -0.04 3.20 3.22 2kvvA7 HIS 78 HD2 0.04 0.02 -0.02 -0.04 6.97 6.97 2kvvA7 HIS 78 HE1 -0.03 -0.00 -0.01 -0.04 7.75 7.66