============================================================================= 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 0.495 -16.659 6.035 -99.200 -91.000 TRP 10 1.040 11.498 -24.506 12.322 -99.200 -91.000 TRP6 10 1.020 11.891 -26.469 11.072 -99.200 -91.000 TYR 30 0.840 0.354 -38.300 8.976 -99.200 -91.000 TRP 35 1.040 6.988 -35.806 10.134 -99.200 -91.000 TRP6 35 1.020 4.757 -35.285 9.551 -99.200 -91.000 HIS 40 0.900 6.606 -31.116 5.463 -99.200 -91.000 PHE 41 1.000 12.298 -35.245 9.527 -99.200 -91.000 TRP 57 1.040 14.694 -28.307 17.661 -99.200 -91.000 TRP6 57 1.020 13.637 -27.161 19.430 -99.200 -91.000 TYR 58 0.840 9.179 -33.716 14.487 -99.200 -91.000 TYR 60 0.840 1.299 -25.150 14.291 -99.200 -91.000 PHE 66 1.000 0.407 -34.621 5.005 -99.200 -91.000 HIS 73 0.900 -13.318 -32.345 -0.322 -99.200 -91.000 HIS 74 0.900 -12.455 -27.654 -5.643 -99.200 -91.000 HIS 75 0.900 -4.014 -24.874 -1.897 -99.200 -91.000 HIS 76 0.900 -11.873 -21.205 -3.895 -99.200 -91.000 HIS 77 0.900 -7.292 -20.093 1.241 -99.200 -91.000 HIS 78 0.900 -6.693 -20.519 -6.823 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA19 MET 1 HA 0.01 -0.02 0.18 -0.75 4.52 3.94 2kvvA19 MET 1 HB2 0.02 -0.05 0.05 -0.04 2.15 2.13 2kvvA19 MET 1 HB3 0.02 -0.00 -0.05 -0.04 2.03 1.96 2kvvA19 MET 1 HG2 0.01 0.00 0.03 -0.04 2.63 2.63 2kvvA19 MET 1 HG3 0.01 0.01 0.01 -0.04 2.56 2.55 2kvvA19 MET 1 HE3 0.01 0.00 0.01 -0.04 2.10 2.08 2kvvA19 ALA 2 H 0.03 0.17 0.02 -0.55 8.40 8.08 2kvvA19 ALA 2 HA 0.05 0.05 0.40 -0.75 4.34 4.08 2kvvA19 ALA 2 HB3 0.04 -0.00 0.10 -0.04 1.41 1.51 2kvvA19 GLN 3 H 0.03 0.38 0.32 -0.55 8.47 8.66 2kvvA19 GLN 3 HA 0.03 0.11 0.80 -0.75 4.36 4.55 2kvvA19 GLN 3 HB2 0.01 -0.02 -0.04 -0.04 2.15 2.06 2kvvA19 GLN 3 HB3 0.01 0.05 0.01 -0.04 2.02 2.06 2kvvA19 GLN 3 HG2 0.01 0.13 0.19 -0.04 2.40 2.69 2kvvA19 GLN 3 HG3 -0.01 -0.09 0.09 -0.04 2.39 2.35 2kvvA19 GLN 3 HE21 -0.00 0.02 0.05 -0.04 6.97 7.00 2kvvA19 GLN 3 HE22 -0.01 -0.02 0.02 -0.04 7.69 7.63 2kvvA19 ILE 4 H 0.06 0.19 0.08 -0.55 8.25 8.02 2kvvA19 ILE 4 HA 0.23 0.08 0.38 -0.75 4.18 4.12 2kvvA19 ILE 4 HB 0.09 -0.00 0.23 -0.04 1.89 2.16 2kvvA19 ILE 4 HG12 0.07 0.06 0.05 -0.04 1.49 1.63 2kvvA19 ILE 4 HG13 0.07 0.00 0.03 -0.04 1.21 1.27 2kvvA19 ILE 4 HG23 0.22 -0.01 -0.02 -0.04 0.93 1.09 2kvvA19 ILE 4 HD13 0.11 0.00 -0.12 -0.04 0.88 0.83 2kvvA19 ILE 5 H -0.09 0.40 0.21 -0.55 8.25 8.22 2kvvA19 ILE 5 HA -0.12 0.13 0.74 -0.75 4.18 4.18 2kvvA19 ILE 5 HB -0.43 0.00 0.23 -0.04 1.89 1.64 2kvvA19 ILE 5 HG12 -0.09 0.20 -0.03 -0.04 1.49 1.53 2kvvA19 ILE 5 HG13 -0.11 -0.02 0.03 -0.04 1.21 1.07 2kvvA19 ILE 5 HG23 -0.18 -0.01 0.03 -0.04 0.93 0.73 2kvvA19 ILE 5 HD13 -0.05 0.00 -0.15 -0.04 0.88 0.63 2kvvA19 PHE 6 H 0.05 0.51 -0.35 -0.55 8.34 8.00 2kvvA19 PHE 6 HA 0.00 0.08 0.71 -0.75 4.62 4.66 2kvvA19 PHE 6 HB2 -0.00 -0.02 -0.07 -0.04 3.15 3.01 2kvvA19 PHE 6 HB3 -0.01 0.04 -0.02 -0.04 3.06 3.02 2kvvA19 PHE 6 HD2 -0.01 -0.07 -0.09 -0.04 7.28 7.08 2kvvA19 PHE 6 HE2 -0.01 -0.01 -0.03 -0.04 7.38 7.29 2kvvA19 PHE 6 HZ -0.00 -0.01 -0.02 -0.04 7.32 7.24 2kvvA19 ASN 7 H 0.12 0.13 0.12 -0.55 8.53 8.36 2kvvA19 ASN 7 HA 0.08 0.25 0.85 -0.75 4.76 5.19 2kvvA19 ASN 7 HB2 0.06 -0.03 -0.05 -0.04 2.88 2.82 2kvvA19 ASN 7 HB3 0.07 -0.03 0.08 -0.04 2.79 2.86 2kvvA19 ASN 7 HD21 0.03 -0.02 -0.10 -0.04 7.03 6.90 2kvvA19 ASN 7 HD22 -0.00 0.05 -0.16 -0.04 7.74 7.59 2kvvA19 GLU 8 H 0.09 0.21 0.05 -0.55 8.60 8.40 2kvvA19 GLU 8 HA -0.09 0.16 0.90 -0.75 4.29 4.51 2kvvA19 GLU 8 HB2 0.30 0.00 0.17 -0.04 2.09 2.53 2kvvA19 GLU 8 HB3 -0.13 0.02 0.03 -0.04 1.99 1.87 2kvvA19 GLU 8 HG2 -0.04 0.05 -0.07 -0.04 2.34 2.23 2kvvA19 GLU 8 HG3 0.08 -0.03 -0.18 -0.04 2.34 2.17 2kvvA19 GLU 9 H 0.01 0.19 -0.08 -0.55 8.60 8.18 2kvvA19 GLU 9 HA 0.09 0.10 0.63 -0.75 4.29 4.36 2kvvA19 GLU 9 HB2 0.17 -0.04 0.19 -0.04 2.09 2.36 2kvvA19 GLU 9 HB3 0.01 0.03 0.01 -0.04 1.99 2.00 2kvvA19 GLU 9 HG2 -0.00 0.04 0.00 -0.04 2.34 2.34 2kvvA19 GLU 9 HG3 0.03 0.05 0.00 -0.04 2.34 2.37 2kvvA19 TRP 10 H 0.32 0.25 0.23 -0.55 7.97 8.22 2kvvA19 TRP 10 HA 0.20 0.45 0.97 -0.75 4.62 5.48 2kvvA19 TRP 10 HB2 -0.07 -0.01 0.14 -0.04 3.23 3.25 2kvvA19 TRP 10 HB3 0.17 -0.04 -0.08 -0.04 3.23 3.24 2kvvA19 TRP 10 HD1 -0.03 0.19 0.07 -0.04 7.22 7.41 2kvvA19 TRP 10 HE1 -0.03 -0.02 -0.03 -0.04 10.20 10.08 2kvvA19 TRP 10 HE3 0.19 -0.10 -0.71 -0.04 7.59 6.92 2kvvA19 TRP 10 HZ2 -0.05 0.02 -0.05 -0.04 7.44 7.32 2kvvA19 TRP 10 HZ3 0.03 -0.07 -0.25 -0.04 7.13 6.80 2kvvA19 TRP 10 HH2 -0.05 0.30 -0.28 -0.04 7.19 7.12 2kvvA19 MET 11 H 0.41 0.45 0.30 -0.55 8.47 9.08 2kvvA19 MET 11 HA 0.68 0.20 0.79 -0.75 4.52 5.44 2kvvA19 MET 11 HB2 0.18 -0.12 0.14 -0.04 2.15 2.31 2kvvA19 MET 11 HB3 0.20 0.07 -0.12 -0.04 2.03 2.14 2kvvA19 MET 11 HG2 0.19 0.02 -0.21 -0.04 2.63 2.59 2kvvA19 MET 11 HG3 0.08 -0.01 -0.30 -0.04 2.56 2.29 2kvvA19 MET 11 HE3 -0.07 0.01 -0.15 -0.04 2.10 1.84 2kvvA19 VAL 12 H 0.06 0.14 0.16 -0.55 8.24 8.06 2kvvA19 VAL 12 HA -0.15 0.28 0.65 -0.75 4.13 4.16 2kvvA19 VAL 12 HB -0.16 -0.04 0.17 -0.04 2.12 2.06 2kvvA19 VAL 12 HG13 -0.62 0.05 0.05 -0.04 0.97 0.41 2kvvA19 VAL 12 HG23 -0.04 -0.07 0.01 -0.04 0.95 0.81 2kvvA19 GLU 13 H 0.10 0.27 0.22 -0.55 8.60 8.64 2kvvA19 GLU 13 HA -0.10 0.11 0.28 -0.75 4.29 3.83 2kvvA19 GLU 13 HB2 0.27 0.12 0.15 -0.04 2.09 2.59 2kvvA19 GLU 13 HB3 0.04 -0.02 0.14 -0.04 1.99 2.11 2kvvA19 GLU 13 HG2 -0.06 -0.03 -0.15 -0.04 2.34 2.05 2kvvA19 GLU 13 HG3 -0.26 0.00 0.02 -0.04 2.34 2.06 2kvvA19 LYS 14 H -0.00 0.11 -0.11 -0.55 8.42 7.86 2kvvA19 LYS 14 HA -0.01 0.08 0.39 -0.75 4.32 4.03 2kvvA19 LYS 14 HB2 -0.01 0.01 0.10 -0.04 1.87 1.93 2kvvA19 LYS 14 HB3 -0.01 -0.01 0.02 -0.04 1.79 1.75 2kvvA19 LYS 14 HG2 -0.00 -0.00 0.06 -0.04 1.46 1.48 2kvvA19 LYS 14 HG3 -0.01 0.04 0.01 -0.04 1.46 1.46 2kvvA19 LYS 14 HD2 0.00 0.00 -0.41 -0.04 1.69 1.24 2kvvA19 LYS 14 HD3 0.00 0.04 -0.05 -0.04 1.68 1.63 2kvvA19 LYS 14 HE2 -0.00 0.03 -0.03 -0.04 2.99 2.94 2kvvA19 LYS 14 HE3 -0.00 -0.07 -0.09 -0.04 2.99 2.78 2kvvA19 ALA 15 H 0.02 0.08 -0.37 -0.55 8.40 7.58 2kvvA19 ALA 15 HA 0.02 0.13 0.54 -0.75 4.34 4.28 2kvvA19 ALA 15 HB3 0.05 0.02 0.06 -0.04 1.41 1.50 2kvvA19 LEU 16 H 0.05 0.50 -0.15 -0.55 8.37 8.23 2kvvA19 LEU 16 HA 0.11 0.04 0.32 -0.75 4.35 4.07 2kvvA19 LEU 16 HB2 0.10 0.08 -0.07 -0.04 1.64 1.71 2kvvA19 LEU 16 HB3 -0.05 0.05 0.09 -0.04 1.64 1.69 2kvvA19 LEU 16 HG -0.02 0.00 -0.10 -0.04 1.64 1.48 2kvvA19 LEU 16 HD13 0.11 -0.01 -0.26 -0.04 0.93 0.73 2kvvA19 LEU 16 HD23 0.17 0.01 -0.08 -0.04 0.89 0.94 2kvvA19 MET 17 H 0.01 0.52 -0.16 -0.55 8.47 8.29 2kvvA19 MET 17 HA 0.06 -0.07 0.24 -0.75 4.52 3.99 2kvvA19 MET 17 HB2 0.01 0.22 -0.35 -0.04 2.15 2.00 2kvvA19 MET 17 HB3 -0.00 -0.06 -0.15 -0.04 2.03 1.77 2kvvA19 MET 17 HG2 0.00 0.13 0.05 -0.04 2.63 2.77 2kvvA19 MET 17 HG3 0.01 0.09 -0.11 -0.04 2.56 2.50 2kvvA19 MET 17 HE3 -0.03 -0.02 -0.19 -0.04 2.10 1.82 2kvvA19 VAL 18 H 0.03 0.18 -0.49 -0.55 8.24 7.41 2kvvA19 VAL 18 HA 0.03 0.09 0.41 -0.75 4.13 3.90 2kvvA19 VAL 18 HB 0.01 0.07 0.16 -0.04 2.12 2.33 2kvvA19 VAL 18 HG13 0.01 -0.00 -0.07 -0.04 0.97 0.86 2kvvA19 VAL 18 HG23 0.01 0.06 0.08 -0.04 0.95 1.06 2kvvA19 ARG 19 H 0.03 0.52 -0.02 -0.55 8.46 8.44 2kvvA19 ARG 19 HA -0.00 0.06 0.39 -0.75 4.34 4.03 2kvvA19 ARG 19 HB2 -0.04 0.02 0.09 -0.04 1.90 1.93 2kvvA19 ARG 19 HB3 -0.46 -0.03 0.04 -0.04 1.80 1.31 2kvvA19 ARG 19 HG2 -0.06 0.16 0.09 -0.04 1.67 1.82 2kvvA19 ARG 19 HG3 -0.23 -0.08 -0.02 -0.04 1.67 1.30 2kvvA19 ARG 19 HD2 -0.20 -0.01 0.01 -0.04 3.22 2.99 2kvvA19 ARG 19 HD3 -0.07 0.03 -0.04 -0.04 3.22 3.10 2kvvA19 THR 20 H 0.14 0.33 -0.30 -0.55 8.28 7.90 2kvvA19 THR 20 HA 0.21 0.13 0.66 -0.75 4.39 4.63 2kvvA19 THR 20 HB 0.12 -0.02 -0.02 -0.04 4.32 4.36 2kvvA19 THR 20 HG23 0.18 -0.00 -0.04 -0.04 1.22 1.33 2kvvA19 GLY 21 H 0.08 0.35 -0.13 -0.55 8.43 8.19 2kvvA19 GLY 21 HA2 0.05 0.04 0.36 -0.51 4.01 3.95 2kvvA19 GLY 21 HA3 0.06 0.13 0.80 -0.51 4.01 4.49 2kvvA19 LEU 22 H 0.09 -0.00 -0.05 -0.55 8.37 7.86 2kvvA19 LEU 22 HA 0.07 0.14 0.55 -0.75 4.35 4.35 2kvvA19 LEU 22 HB2 0.11 -0.02 0.02 -0.04 1.64 1.71 2kvvA19 LEU 22 HB3 0.08 -0.11 0.10 -0.04 1.64 1.67 2kvvA19 LEU 22 HG 0.21 0.00 -0.04 -0.04 1.64 1.76 2kvvA19 LEU 22 HD13 0.15 0.02 -0.26 -0.04 0.93 0.80 2kvvA19 LEU 22 HD23 0.32 -0.00 -0.11 -0.04 0.89 1.06 2kvvA19 GLY 23 H 0.00 0.10 0.17 -0.55 8.43 8.17 2kvvA19 GLY 23 HA2 -0.01 0.28 0.74 -0.51 4.01 4.51 2kvvA19 GLY 23 HA3 -0.02 0.05 0.33 -0.51 4.01 3.87 2kvvA19 ALA 24 H -0.03 0.25 0.14 -0.55 8.40 8.22 2kvvA19 ALA 24 HA -0.06 0.08 0.34 -0.75 4.34 3.95 2kvvA19 ALA 24 HB3 -0.04 0.04 0.11 -0.04 1.41 1.48 2kvvA19 ARG 25 H -0.06 0.13 -0.06 -0.55 8.46 7.91 2kvvA19 ARG 25 HA -0.10 0.11 0.38 -0.75 4.34 3.98 2kvvA19 ARG 25 HB2 -0.06 0.02 0.08 -0.04 1.90 1.90 2kvvA19 ARG 25 HB3 -0.08 0.00 0.02 -0.04 1.80 1.70 2kvvA19 ARG 25 HG2 -0.10 0.04 -0.11 -0.04 1.67 1.45 2kvvA19 ARG 25 HG3 -0.09 0.01 0.05 -0.04 1.67 1.61 2kvvA19 ARG 25 HD2 -0.06 0.01 -0.02 -0.04 3.22 3.11 2kvvA19 ARG 25 HD3 -0.06 0.05 -0.02 -0.04 3.22 3.15 2kvvA19 GLN 26 H -0.10 -0.01 -0.43 -0.55 8.47 7.38 2kvvA19 GLN 26 HA -0.27 0.14 0.50 -0.75 4.36 3.97 2kvvA19 GLN 26 HB2 -0.08 0.04 0.09 -0.04 2.15 2.16 2kvvA19 GLN 26 HB3 -0.06 -0.07 0.22 -0.04 2.02 2.07 2kvvA19 GLN 26 HG2 0.07 0.00 0.01 -0.04 2.40 2.45 2kvvA19 GLN 26 HG3 -0.03 0.03 -0.24 -0.04 2.39 2.10 2kvvA19 GLN 26 HE21 0.02 0.01 -0.01 -0.04 6.97 6.96 2kvvA19 GLN 26 HE22 -0.02 0.05 -0.02 -0.04 7.69 7.66 2kvvA19 ILE 27 H -0.13 0.59 -0.02 -0.55 8.25 8.13 2kvvA19 ILE 27 HA -0.28 0.06 0.35 -0.75 4.18 3.56 2kvvA19 ILE 27 HB -0.15 0.06 0.15 -0.04 1.89 1.91 2kvvA19 ILE 27 HG12 0.06 -0.00 -0.05 -0.04 1.49 1.45 2kvvA19 ILE 27 HG13 -0.04 0.24 0.01 -0.04 1.21 1.38 2kvvA19 ILE 27 HG23 -0.19 -0.01 -0.13 -0.04 0.93 0.56 2kvvA19 ILE 27 HD13 -0.08 -0.04 -0.12 -0.04 0.88 0.61 2kvvA19 GLU 28 H -0.21 0.56 -0.02 -0.55 8.60 8.39 2kvvA19 GLU 28 HA -0.25 0.02 0.38 -0.75 4.29 3.69 2kvvA19 GLU 28 HB2 -0.13 0.02 0.02 -0.04 2.09 1.96 2kvvA19 GLU 28 HB3 -0.12 -0.02 0.09 -0.04 1.99 1.89 2kvvA19 GLU 28 HG2 -0.15 0.05 0.19 -0.04 2.34 2.39 2kvvA19 GLU 28 HG3 -0.15 0.11 -0.07 -0.04 2.34 2.19 2kvvA19 SER 29 H -0.30 0.30 -0.50 -0.55 8.46 7.41 2kvvA19 SER 29 HA -0.22 0.03 0.46 -0.75 4.49 4.01 2kvvA19 SER 29 HB2 -0.26 0.09 0.18 -0.04 3.95 3.91 2kvvA19 SER 29 HB3 -0.54 0.17 0.17 -0.04 3.93 3.68 2kvvA19 TYR 30 H -0.59 0.43 -0.19 -0.55 8.29 7.39 2kvvA19 TYR 30 HA -0.36 0.07 0.66 -0.75 4.56 4.18 2kvvA19 TYR 30 HB2 -1.62 0.12 0.14 -0.04 3.06 1.66 2kvvA19 TYR 30 HB3 -1.39 -0.09 0.01 -0.04 2.98 1.46 2kvvA19 TYR 30 HD2 -0.28 -0.05 -0.04 -0.04 7.15 6.74 2kvvA19 TYR 30 HE2 0.11 -0.02 -0.06 -0.04 6.85 6.84 2kvvA19 ARG 31 H -0.61 0.52 -0.08 -0.55 8.46 7.74 2kvvA19 ARG 31 HA -0.36 -0.02 0.35 -0.75 4.34 3.56 2kvvA19 ARG 31 HB2 -0.26 0.10 0.10 -0.04 1.90 1.80 2kvvA19 ARG 31 HB3 -0.19 -0.01 0.04 -0.04 1.80 1.60 2kvvA19 ARG 31 HG2 -0.40 -0.04 -0.07 -0.04 1.67 1.12 2kvvA19 ARG 31 HG3 -0.74 0.28 -0.17 -0.04 1.67 0.99 2kvvA19 ARG 31 HD2 -0.05 -0.08 -0.15 -0.04 3.22 2.91 2kvvA19 ARG 31 HD3 -0.16 -0.04 -0.12 -0.04 3.22 2.86 2kvvA19 GLN 32 H -0.19 0.22 -0.73 -0.55 8.47 7.22 2kvvA19 GLN 32 HA -0.04 0.05 0.42 -0.75 4.36 4.03 2kvvA19 GLN 32 HB2 -0.07 0.09 0.04 -0.04 2.15 2.16 2kvvA19 GLN 32 HB3 -0.04 -0.05 0.08 -0.04 2.02 1.97 2kvvA19 GLN 32 HG2 -0.08 -0.07 0.02 -0.04 2.40 2.23 2kvvA19 GLN 32 HG3 -0.14 0.26 0.13 -0.04 2.39 2.60 2kvvA19 GLN 32 HE21 -0.14 0.29 0.25 -0.04 6.97 7.32 2kvvA19 GLN 32 HE22 -0.09 -0.08 0.06 -0.04 7.69 7.53 2kvvA19 GLY 33 H -0.03 0.23 -0.33 -0.55 8.43 7.75 2kvvA19 GLY 33 HA2 0.06 0.12 0.49 -0.51 4.01 4.17 2kvvA19 GLY 33 HA3 0.04 0.00 0.24 -0.51 4.01 3.78 2kvvA19 ALA 34 H 0.02 0.15 0.21 -0.55 8.40 8.23 2kvvA19 ALA 34 HA 0.02 0.05 0.30 -0.75 4.34 3.96 2kvvA19 ALA 34 HB3 -0.14 -0.01 0.12 -0.04 1.41 1.34 2kvvA19 TRP 35 H 0.25 0.32 -0.28 -0.55 7.97 7.72 2kvvA19 TRP 35 HA -0.15 -0.00 0.45 -0.75 4.62 4.17 2kvvA19 TRP 35 HB2 -0.10 0.03 0.00 -0.04 3.23 3.12 2kvvA19 TRP 35 HB3 -0.11 -0.02 -0.15 -0.04 3.23 2.91 2kvvA19 TRP 35 HD1 -0.31 -0.01 -0.15 -0.04 7.22 6.72 2kvvA19 TRP 35 HE1 -0.20 -0.07 -0.11 -0.04 10.20 9.78 2kvvA19 TRP 35 HE3 -0.39 -0.06 -0.69 -0.04 7.59 6.41 2kvvA19 TRP 35 HZ2 -0.08 -0.07 -0.08 -0.04 7.44 7.18 2kvvA19 TRP 35 HZ3 -1.02 0.05 -0.10 -0.04 7.13 6.03 2kvvA19 TRP 35 HH2 -0.22 0.01 -0.06 -0.04 7.19 6.88 2kvvA19 ILE 36 H -0.15 0.19 0.23 -0.55 8.25 7.96 2kvvA19 ILE 36 HA 0.15 0.14 0.62 -0.75 4.18 4.33 2kvvA19 ILE 36 HB 0.23 -0.15 0.19 -0.04 1.89 2.12 2kvvA19 ILE 36 HG12 0.03 0.05 0.01 -0.04 1.49 1.54 2kvvA19 ILE 36 HG13 -0.16 0.22 0.11 -0.04 1.21 1.33 2kvvA19 ILE 36 HG23 0.07 0.03 -0.01 -0.04 0.93 0.98 2kvvA19 ILE 36 HD13 0.07 -0.01 0.04 -0.04 0.88 0.93 2kvvA19 GLU 37 H 0.07 0.19 0.19 -0.55 8.60 8.50 2kvvA19 GLU 37 HA -0.91 0.16 0.43 -0.75 4.29 3.21 2kvvA19 GLU 37 HB2 -0.27 -0.02 0.11 -0.04 2.09 1.87 2kvvA19 GLU 37 HB3 -0.14 0.07 0.13 -0.04 1.99 2.00 2kvvA19 GLU 37 HG2 -0.00 -0.01 0.14 -0.04 2.34 2.43 2kvvA19 GLU 37 HG3 -0.06 -0.01 -0.07 -0.04 2.34 2.16 2kvvA19 GLY 38 H -0.37 0.51 0.33 -0.55 8.43 8.36 2kvvA19 GLY 38 HA2 -0.07 -0.02 0.34 -0.51 4.01 3.75 2kvvA19 GLY 38 HA3 -0.04 0.09 0.51 -0.51 4.01 4.06 2kvvA19 VAL 39 H 0.03 0.58 -0.36 -0.55 8.24 7.95 2kvvA19 VAL 39 HA 0.07 0.06 0.38 -0.75 4.13 3.89 2kvvA19 VAL 39 HB 0.17 -0.02 0.08 -0.04 2.12 2.31 2kvvA19 VAL 39 HG13 -0.11 -0.01 -0.08 -0.04 0.97 0.73 2kvvA19 VAL 39 HG23 0.04 0.04 0.03 -0.04 0.95 1.02 2kvvA19 HIS 40 H 0.17 0.57 0.04 -0.55 8.41 8.64 2kvvA19 HIS 40 HA -0.26 0.08 0.66 -0.75 4.63 4.36 2kvvA19 HIS 40 HB2 -0.07 0.11 0.13 -0.04 3.26 3.39 2kvvA19 HIS 40 HB3 -0.67 -0.07 0.00 -0.04 3.20 2.42 2kvvA19 HIS 40 HD2 -0.66 -0.06 -0.23 -0.04 6.97 5.97 2kvvA19 HIS 40 HE1 -0.06 0.02 0.01 -0.04 7.75 7.67 2kvvA19 PHE 41 H 0.11 0.26 -0.16 -0.55 8.34 7.99 2kvvA19 PHE 41 HA 0.37 0.23 0.50 -0.75 4.62 4.96 2kvvA19 PHE 41 HB2 -0.33 0.04 -0.07 -0.04 3.15 2.75 2kvvA19 PHE 41 HB3 -0.02 0.03 -0.27 -0.04 3.06 2.75 2kvvA19 PHE 41 HD2 0.02 -0.04 -0.38 -0.04 7.28 6.84 2kvvA19 PHE 41 HE2 0.16 0.16 -0.36 -0.04 7.38 7.29 2kvvA19 PHE 41 HZ 0.14 0.07 -0.09 -0.04 7.32 7.41 2kvvA19 LYS 42 H 0.24 0.50 0.21 -0.55 8.42 8.82 2kvvA19 LYS 42 HA -0.22 0.04 0.74 -0.75 4.32 4.12 2kvvA19 LYS 42 HB2 -0.14 0.04 0.03 -0.04 1.87 1.76 2kvvA19 LYS 42 HB3 -0.12 0.04 -0.06 -0.04 1.79 1.61 2kvvA19 LYS 42 HG2 -0.39 -0.01 -0.09 -0.04 1.46 0.93 2kvvA19 LYS 42 HG3 -0.29 -0.02 -0.15 -0.04 1.46 0.96 2kvvA19 LYS 42 HD2 -0.31 -0.00 -0.06 -0.04 1.69 1.27 2kvvA19 LYS 42 HD3 -0.32 0.15 -0.05 -0.04 1.68 1.41 2kvvA19 LYS 42 HE2 -0.68 0.01 -0.05 -0.04 2.99 2.22 2kvvA19 LYS 42 HE3 -2.12 -0.00 -0.09 -0.04 2.99 0.73 2kvvA19 ARG 43 H -0.06 0.13 0.10 -0.55 8.46 8.09 2kvvA19 ARG 43 HA 0.08 0.06 0.41 -0.75 4.34 4.12 2kvvA19 ARG 43 HB2 0.04 -0.02 0.03 -0.04 1.90 1.91 2kvvA19 ARG 43 HB3 0.00 0.00 0.08 -0.04 1.80 1.84 2kvvA19 ARG 43 HG2 0.03 0.06 -0.17 -0.04 1.67 1.55 2kvvA19 ARG 43 HG3 0.04 0.04 -0.44 -0.04 1.67 1.27 2kvvA19 ARG 43 HD2 0.05 -0.11 -0.14 -0.04 3.22 2.97 2kvvA19 ARG 43 HD3 0.07 -0.02 -0.27 -0.04 3.22 2.96 2kvvA19 VAL 44 H 0.14 0.57 0.21 -0.55 8.24 8.61 2kvvA19 VAL 44 HA 0.01 0.11 0.88 -0.75 4.13 4.38 2kvvA19 VAL 44 HB 0.37 0.08 0.21 -0.04 2.12 2.74 2kvvA19 VAL 44 HG13 0.02 0.04 -0.07 -0.04 0.97 0.93 2kvvA19 VAL 44 HG23 -0.04 0.01 -0.07 -0.04 0.95 0.81 2kvvA19 SER 45 H 0.01 0.13 0.07 -0.55 8.46 8.12 2kvvA19 SER 45 HA 0.03 0.11 0.28 -0.75 4.49 4.16 2kvvA19 SER 45 HB2 0.01 0.05 0.05 -0.04 3.95 4.01 2kvvA19 SER 45 HB3 0.00 -0.05 0.09 -0.04 3.93 3.93 2kvvA19 PRO 46 HA 0.05 0.04 0.51 -0.51 4.44 4.54 2kvvA19 PRO 46 HB2 0.02 0.01 0.09 -0.04 2.28 2.36 2kvvA19 PRO 46 HB3 0.03 0.01 0.13 -0.04 2.02 2.14 2kvvA19 PRO 46 HG2 0.02 0.01 0.16 -0.04 2.03 2.18 2kvvA19 PRO 46 HG3 0.03 0.06 0.23 -0.04 2.03 2.30 2kvvA19 PRO 46 HD2 0.02 0.05 0.21 -0.04 3.68 3.93 2kvvA19 PRO 46 HD3 0.03 0.19 0.20 -0.04 3.65 4.03 2kvvA19 SER 47 H 0.02 0.18 -0.15 -0.55 8.46 7.96 2kvvA19 SER 47 HA 0.01 0.09 0.45 -0.75 4.49 4.28 2kvvA19 SER 47 HB2 0.01 0.16 -0.09 -0.04 3.95 3.99 2kvvA19 SER 47 HB3 0.01 -0.05 -0.01 -0.04 3.93 3.84 2kvvA19 GLY 48 H -0.00 0.17 0.03 -0.55 8.43 8.08 2kvvA19 GLY 48 HA2 -0.01 0.03 0.35 -0.51 4.01 3.87 2kvvA19 GLY 48 HA3 -0.01 0.02 0.29 -0.51 4.01 3.80 2kvvA19 GLU 49 H -0.00 0.24 0.35 -0.55 8.60 8.65 2kvvA19 GLU 49 HA -0.01 0.05 0.30 -0.75 4.29 3.88 2kvvA19 GLU 49 HB2 -0.00 0.03 0.07 -0.04 2.09 2.14 2kvvA19 GLU 49 HB3 -0.00 0.00 0.01 -0.04 1.99 1.96 2kvvA19 GLU 49 HG2 -0.00 -0.02 0.09 -0.04 2.34 2.37 2kvvA19 GLU 49 HG3 -0.00 0.02 0.03 -0.04 2.34 2.35 2kvvA19 LYS 50 H -0.01 0.11 0.11 -0.55 8.42 8.08 2kvvA19 LYS 50 HA -0.01 0.10 0.47 -0.75 4.32 4.13 2kvvA19 LYS 50 HB2 -0.01 0.02 0.12 -0.04 1.87 1.95 2kvvA19 LYS 50 HB3 -0.01 -0.03 0.21 -0.04 1.79 1.93 2kvvA19 LYS 50 HG2 -0.00 0.00 -0.17 -0.04 1.46 1.25 2kvvA19 LYS 50 HG3 -0.01 0.04 -0.03 -0.04 1.46 1.42 2kvvA19 LYS 50 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.63 2kvvA19 LYS 50 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.61 2kvvA19 LYS 50 HE2 -0.02 0.02 0.01 -0.04 2.99 2.96 2kvvA19 LYS 50 HE3 -0.02 -0.02 0.03 -0.04 2.99 2.95 2kvvA19 THR 51 H 0.01 0.32 0.21 -0.55 8.28 8.27 2kvvA19 THR 51 HA 0.01 0.13 0.73 -0.75 4.39 4.50 2kvvA19 THR 51 HB 0.01 0.06 0.04 -0.04 4.32 4.39 2kvvA19 THR 51 HG23 0.01 -0.06 0.04 -0.04 1.22 1.17 2kvvA19 LEU 52 H 0.01 0.15 0.13 -0.55 8.37 8.11 2kvvA19 LEU 52 HA 0.02 0.11 0.24 -0.75 4.35 3.96 2kvvA19 LEU 52 HB2 0.01 -0.01 0.07 -0.04 1.64 1.67 2kvvA19 LEU 52 HB3 0.02 0.02 0.08 -0.04 1.64 1.72 2kvvA19 LEU 52 HG 0.01 0.01 0.03 -0.04 1.64 1.66 2kvvA19 LEU 52 HD13 0.01 0.01 -0.05 -0.04 0.93 0.86 2kvvA19 LEU 52 HD23 0.01 -0.02 0.08 -0.04 0.89 0.92 2kvvA19 ARG 53 H 0.02 0.03 -0.49 -0.55 8.46 7.46 2kvvA19 ARG 53 HA 0.03 0.18 0.91 -0.75 4.34 4.70 2kvvA19 ARG 53 HB2 0.02 -0.05 0.11 -0.04 1.90 1.93 2kvvA19 ARG 53 HB3 0.02 0.03 -0.00 -0.04 1.80 1.81 2kvvA19 ARG 53 HG2 0.02 -0.09 -0.30 -0.04 1.67 1.26 2kvvA19 ARG 53 HG3 0.01 -0.00 -0.04 -0.04 1.67 1.60 2kvvA19 ARG 53 HD2 0.02 -0.01 -0.00 -0.04 3.22 3.18 2kvvA19 ARG 53 HD3 0.02 0.16 0.02 -0.04 3.22 3.39 2kvvA19 GLY 54 H 0.03 0.21 0.03 -0.55 8.43 8.16 2kvvA19 GLY 54 HA2 0.03 0.10 0.65 -0.51 4.01 4.28 2kvvA19 GLY 54 HA3 0.05 0.20 0.21 -0.51 4.01 3.95 2kvvA19 THR 55 H 0.09 0.49 0.17 -0.55 8.28 8.48 2kvvA19 THR 55 HA -0.05 0.03 0.62 -0.75 4.39 4.24 2kvvA19 THR 55 HB 0.25 0.05 0.11 -0.04 4.32 4.69 2kvvA19 THR 55 HG23 -0.61 -0.02 -0.15 -0.04 1.22 0.40 2kvvA19 THR 56 H -0.08 0.14 0.20 -0.55 8.28 8.00 2kvvA19 THR 56 HA 0.08 0.23 0.80 -0.75 4.39 4.74 2kvvA19 THR 56 HB -0.02 -0.08 0.15 -0.04 4.32 4.34 2kvvA19 THR 56 HG23 -0.06 0.00 -0.25 -0.04 1.22 0.86 2kvvA19 TRP 57 H 0.32 0.44 0.26 -0.55 7.97 8.45 2kvvA19 TRP 57 HA 0.16 0.14 0.79 -0.75 4.62 4.96 2kvvA19 TRP 57 HB2 0.09 0.03 0.03 -0.04 3.23 3.34 2kvvA19 TRP 57 HB3 0.36 -0.01 -0.11 -0.04 3.23 3.43 2kvvA19 TRP 57 HD1 -0.03 0.16 -0.01 -0.04 7.22 7.30 2kvvA19 TRP 57 HE1 -0.00 0.04 -0.06 -0.04 10.20 10.13 2kvvA19 TRP 57 HE3 0.20 -0.03 -0.52 -0.04 7.59 7.20 2kvvA19 TRP 57 HZ2 0.02 0.03 -0.04 -0.04 7.44 7.41 2kvvA19 TRP 57 HZ3 0.10 -0.01 0.03 -0.04 7.13 7.21 2kvvA19 TRP 57 HH2 0.05 0.00 -0.01 -0.04 7.19 7.19 2kvvA19 TYR 58 H 0.57 0.59 0.30 -0.55 8.29 9.20 2kvvA19 TYR 58 HA 0.29 0.28 0.99 -0.75 4.56 5.36 2kvvA19 TYR 58 HB2 0.14 -0.05 0.04 -0.04 3.06 3.16 2kvvA19 TYR 58 HB3 0.00 0.06 -0.02 -0.04 2.98 2.98 2kvvA19 TYR 58 HD2 0.05 0.08 -0.08 -0.04 7.15 7.16 2kvvA19 TYR 58 HE2 0.17 -0.04 -0.05 -0.04 6.85 6.89 2kvvA19 ASN 59 H -0.28 0.79 0.19 -0.55 8.53 8.68 2kvvA19 ASN 59 HA -1.26 0.13 0.52 -0.75 4.76 3.40 2kvvA19 ASN 59 HB2 -1.60 0.13 0.01 -0.04 2.88 1.38 2kvvA19 ASN 59 HB3 -0.67 -0.07 0.31 -0.04 2.79 2.32 2kvvA19 ASN 59 HD21 -0.37 0.42 0.11 -0.04 7.03 7.15 2kvvA19 ASN 59 HD22 -0.25 -0.07 0.01 -0.04 7.74 7.38 2kvvA19 TYR 60 H -0.14 0.77 0.35 -0.55 8.29 8.73 2kvvA19 TYR 60 HA -0.10 -0.03 0.32 -0.75 4.56 4.00 2kvvA19 TYR 60 HB2 -0.03 -0.02 0.12 -0.04 3.06 3.10 2kvvA19 TYR 60 HB3 -0.09 0.05 0.25 -0.04 2.98 3.15 2kvvA19 TYR 60 HD2 -0.02 -0.04 -0.03 -0.04 7.15 7.02 2kvvA19 TYR 60 HE2 0.01 0.09 -0.26 -0.04 6.85 6.64 2kvvA19 PRO 61 HA -0.29 0.06 0.45 -0.51 4.44 4.15 2kvvA19 PRO 61 HB2 -0.19 0.05 0.04 -0.04 2.28 2.14 2kvvA19 PRO 61 HB3 -0.09 0.08 0.13 -0.04 2.02 2.10 2kvvA19 PRO 61 HG2 -0.08 0.11 0.31 -0.04 2.03 2.33 2kvvA19 PRO 61 HG3 0.05 0.04 0.13 -0.04 2.03 2.21 2kvvA19 PRO 61 HD2 -0.29 0.08 -0.06 -0.04 3.68 3.37 2kvvA19 PRO 61 HD3 0.12 0.10 0.23 -0.04 3.65 4.06 2kvvA19 GLU 62 H -0.37 0.22 -0.32 -0.55 8.60 7.59 2kvvA19 GLU 62 HA -0.30 0.06 0.46 -0.75 4.29 3.76 2kvvA19 GLU 62 HB2 -0.64 0.15 0.17 -0.04 2.09 1.73 2kvvA19 GLU 62 HB3 -1.44 -0.04 -0.03 -0.04 1.99 0.44 2kvvA19 GLU 62 HG2 -0.38 -0.07 -0.02 -0.04 2.34 1.83 2kvvA19 GLU 62 HG3 -0.54 0.18 -0.09 -0.04 2.34 1.85 2kvvA19 ILE 63 H -0.30 0.47 -0.05 -0.55 8.25 7.83 2kvvA19 ILE 63 HA -0.12 0.08 0.65 -0.75 4.18 4.04 2kvvA19 ILE 63 HB -0.13 0.07 0.13 -0.04 1.89 1.92 2kvvA19 ILE 63 HG12 -0.10 -0.07 -0.08 -0.04 1.49 1.21 2kvvA19 ILE 63 HG13 -0.81 -0.00 -0.03 -0.04 1.21 0.32 2kvvA19 ILE 63 HG23 0.12 -0.01 -0.17 -0.04 0.93 0.83 2kvvA19 ILE 63 HD13 -0.43 -0.02 -0.12 -0.04 0.88 0.27 2kvvA19 ASN 64 H -0.33 0.73 0.09 -0.55 8.53 8.47 2kvvA19 ASN 64 HA -0.13 0.03 0.44 -0.75 4.76 4.35 2kvvA19 ASN 64 HB2 -0.72 0.03 0.11 -0.04 2.88 2.26 2kvvA19 ASN 64 HB3 -0.38 0.04 0.16 -0.04 2.79 2.57 2kvvA19 ASN 64 HD21 -0.19 -0.02 -0.00 -0.04 7.03 6.78 2kvvA19 ASN 64 HD22 -0.07 -0.00 -0.01 -0.04 7.74 7.62 2kvvA19 LYS 65 H -0.16 0.59 -0.18 -0.55 8.42 8.11 2kvvA19 LYS 65 HA -0.08 -0.03 0.40 -0.75 4.32 3.86 2kvvA19 LYS 65 HB2 -0.12 0.06 0.15 -0.04 1.87 1.91 2kvvA19 LYS 65 HB3 -0.08 0.08 0.17 -0.04 1.79 1.92 2kvvA19 LYS 65 HG2 -0.01 0.02 -0.24 -0.04 1.46 1.19 2kvvA19 LYS 65 HG3 -0.06 -0.05 0.02 -0.04 1.46 1.33 2kvvA19 LYS 65 HD2 -0.11 -0.02 -0.03 -0.04 1.69 1.49 2kvvA19 LYS 65 HD3 -0.08 0.01 -0.01 -0.04 1.68 1.56 2kvvA19 LYS 65 HE2 -0.03 0.01 -0.04 -0.04 2.99 2.89 2kvvA19 LYS 65 HE3 -0.07 -0.01 -0.02 -0.04 2.99 2.84 2kvvA19 PHE 66 H 0.11 0.35 -0.38 -0.55 8.34 7.87 2kvvA19 PHE 66 HA -0.02 0.01 0.37 -0.75 4.62 4.23 2kvvA19 PHE 66 HB2 0.02 0.07 0.18 -0.04 3.15 3.39 2kvvA19 PHE 66 HB3 -0.04 0.14 0.22 -0.04 3.06 3.34 2kvvA19 PHE 66 HD2 -0.09 0.00 -0.04 -0.04 7.28 7.12 2kvvA19 PHE 66 HE2 -0.32 -0.02 -0.02 -0.04 7.38 6.97 2kvvA19 PHE 66 HZ -0.05 -0.02 -0.01 -0.04 7.32 7.20 2kvvA19 ILE 67 H 0.09 0.50 -0.08 -0.55 8.25 8.21 2kvvA19 ILE 67 HA -0.14 0.03 0.45 -0.75 4.18 3.76 2kvvA19 ILE 67 HB 0.00 0.09 0.21 -0.04 1.89 2.15 2kvvA19 ILE 67 HG12 0.09 0.01 -0.01 -0.04 1.49 1.54 2kvvA19 ILE 67 HG13 0.09 -0.03 0.01 -0.04 1.21 1.24 2kvvA19 ILE 67 HG23 -0.01 -0.00 -0.13 -0.04 0.93 0.75 2kvvA19 ILE 67 HD13 0.23 -0.03 -0.05 -0.04 0.88 0.99 2kvvA19 ARG 68 H -0.06 0.71 0.04 -0.55 8.46 8.60 2kvvA19 ARG 68 HA -0.07 -0.01 0.34 -0.75 4.34 3.85 2kvvA19 ARG 68 HB2 -0.07 0.06 0.14 -0.04 1.90 1.98 2kvvA19 ARG 68 HB3 -0.09 -0.07 0.04 -0.04 1.80 1.65 2kvvA19 ARG 68 HG2 -0.07 0.32 0.11 -0.04 1.67 1.98 2kvvA19 ARG 68 HG3 -0.08 -0.06 -0.02 -0.04 1.67 1.47 2kvvA19 ARG 68 HD2 -0.06 -0.03 0.03 -0.04 3.22 3.12 2kvvA19 ARG 68 HD3 -0.05 -0.04 0.00 -0.04 3.22 3.10 2kvvA19 ASP 69 H -0.07 0.67 -0.14 -0.55 8.40 8.32 2kvvA19 ASP 69 HA 0.03 -0.07 0.44 -0.75 4.63 4.28 2kvvA19 ASP 69 HB2 -0.01 -0.02 0.13 -0.04 2.71 2.77 2kvvA19 ASP 69 HB3 -0.08 0.11 0.08 -0.04 2.70 2.76 2kvvA19 SER 70 H -0.18 0.34 -0.46 -0.55 8.46 7.61 2kvvA19 SER 70 HA -0.14 0.06 0.58 -0.75 4.49 4.23 2kvvA19 SER 70 HB2 -0.20 0.17 0.19 -0.04 3.95 4.07 2kvvA19 SER 70 HB3 -0.16 -0.11 0.05 -0.04 3.93 3.67 2kvvA19 LEU 71 H -0.12 0.35 -0.14 -0.55 8.37 7.92 2kvvA19 LEU 71 HA -0.15 0.02 0.53 -0.75 4.35 4.00 2kvvA19 LEU 71 HB2 -0.10 0.18 0.21 -0.04 1.64 1.88 2kvvA19 LEU 71 HB3 -0.13 -0.09 -0.01 -0.04 1.64 1.36 2kvvA19 LEU 71 HG -0.06 -0.06 0.00 -0.04 1.64 1.48 2kvvA19 LEU 71 HD13 -0.06 -0.01 0.01 -0.04 0.93 0.84 2kvvA19 LEU 71 HD23 -0.06 -0.01 -0.12 -0.04 0.89 0.66 2kvvA19 GLU 72 H -0.12 0.40 -0.13 -0.55 8.60 8.20 2kvvA19 GLU 72 HA -0.24 -0.06 0.46 -0.75 4.29 3.70 2kvvA19 GLU 72 HB2 -0.00 0.16 0.11 -0.04 2.09 2.32 2kvvA19 GLU 72 HB3 -0.06 -0.12 -0.26 -0.04 1.99 1.52 2kvvA19 GLU 72 HG2 -0.10 -0.03 0.01 -0.04 2.34 2.18 2kvvA19 GLU 72 HG3 -0.08 0.20 0.04 -0.04 2.34 2.46 2kvvA19 HIS 73 H -0.44 0.13 0.22 -0.55 8.41 7.78 2kvvA19 HIS 73 HA 0.01 0.15 0.43 -0.75 4.63 4.46 2kvvA19 HIS 73 HB2 -0.03 -0.07 0.08 -0.04 3.26 3.20 2kvvA19 HIS 73 HB3 0.06 -0.02 0.07 -0.04 3.20 3.27 2kvvA19 HIS 73 HD2 -0.04 -0.06 0.08 -0.04 6.97 6.90 2kvvA19 HIS 73 HE1 -0.01 -0.03 0.04 -0.04 7.75 7.71 2kvvA19 HIS 74 H -0.23 0.05 -0.20 -0.55 8.41 7.49 2kvvA19 HIS 74 HA 0.09 0.15 0.37 -0.75 4.63 4.50 2kvvA19 HIS 74 HB2 0.09 0.03 -0.04 -0.04 3.26 3.31 2kvvA19 HIS 74 HB3 0.08 0.09 0.00 -0.04 3.20 3.34 2kvvA19 HIS 74 HD2 0.13 0.04 -0.10 -0.04 6.97 6.99 2kvvA19 HIS 74 HE1 0.08 -0.00 -0.01 -0.04 7.75 7.77 2kvvA19 HIS 75 H 0.21 0.21 -0.04 -0.55 8.41 8.25 2kvvA19 HIS 75 HA 0.02 -0.05 0.29 -0.75 4.63 4.13 2kvvA19 HIS 75 HB2 0.03 0.08 0.13 -0.04 3.26 3.46 2kvvA19 HIS 75 HB3 0.08 0.01 0.13 -0.04 3.20 3.37 2kvvA19 HIS 75 HD2 0.08 0.04 -0.13 -0.04 6.97 6.91 2kvvA19 HIS 75 HE1 -0.06 -0.03 0.01 -0.04 7.75 7.62 2kvvA19 HIS 76 H -0.08 0.06 0.25 -0.55 8.41 8.09 2kvvA19 HIS 76 HA -0.12 0.13 0.39 -0.75 4.63 4.28 2kvvA19 HIS 76 HB2 -0.13 0.09 0.15 -0.04 3.26 3.32 2kvvA19 HIS 76 HB3 -0.22 -0.06 0.09 -0.04 3.20 2.97 2kvvA19 HIS 76 HD2 -0.34 -0.04 -0.13 -0.04 6.97 6.41 2kvvA19 HIS 76 HE1 0.03 -0.01 0.01 -0.04 7.75 7.73 2kvvA19 HIS 77 H -0.30 0.00 -0.07 -0.55 8.41 7.50 2kvvA19 HIS 77 HA -0.23 0.03 0.47 -0.75 4.63 4.15 2kvvA19 HIS 77 HB2 -0.45 -0.01 0.12 -0.04 3.26 2.89 2kvvA19 HIS 77 HB3 -0.12 0.01 -0.02 -0.04 3.20 3.03 2kvvA19 HIS 77 HD2 -0.21 -0.06 0.03 -0.04 6.97 6.69 2kvvA19 HIS 77 HE1 -0.02 0.01 -0.01 -0.04 7.75 7.68 2kvvA19 HIS 78 H -0.24 0.19 0.15 -0.55 8.41 7.97 2kvvA19 HIS 78 HA 0.08 0.14 0.39 -0.75 4.63 4.48 2kvvA19 HIS 78 HB2 0.02 -0.04 0.02 -0.04 3.26 3.23 2kvvA19 HIS 78 HB3 0.09 0.11 -0.13 -0.04 3.20 3.24 2kvvA19 HIS 78 HD2 -0.06 -0.08 0.06 -0.04 6.97 6.84 2kvvA19 HIS 78 HE1 -0.13 -0.04 -0.01 -0.04 7.75 7.52