#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbv s GLN 2 N 0.00 3.18 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.54 1hbv s GLN 2 Ca 0.00 -0.77 -0.04 0.00 0.05 0.00 0.00 55.36 54.60 1hbv s GLN 2 Cb 0.00 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.53 1hbv s GLN 2 CO 0.00 0.04 -0.04 0.42 -0.55 0.00 0.00 175.29 175.16 1hbv s ILE 3 N 0.74 3.47 0.47 -2.34 1.01 -1.26 -5.13 121.20 118.17 1hbv s ILE 3 Ca -0.07 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1hbv s ILE 3 Cb -0.16 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1hbv s ILE 3 CO 0.01 0.42 0.69 0.42 0.00 0.00 0.00 174.94 176.49 1hbv s THR 4 N 1.37 3.70 -0.38 2.92 -4.23 -1.26 -5.06 115.64 112.70 1hbv s THR 4 Ca 0.04 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1hbv s THR 4 Cb -0.14 -3.37 0.49 0.00 1.34 0.00 0.00 72.50 70.82 1hbv s THR 4 CO -0.02 -0.26 1.54 0.18 -0.54 0.00 0.00 174.62 175.52 1hbv n LEU 5 N -2.14 5.28 0.21 4.79 4.77 -1.26 -4.52 117.00 124.14 1hbv n LEU 5 Ca 0.03 -4.16 0.13 0.00 -0.03 0.00 0.00 56.01 51.97 1hbv n LEU 5 Cb 0.58 -0.64 0.25 0.00 -2.33 0.00 0.00 43.42 41.29 1hbv n LEU 5 CO 0.47 1.54 0.84 -0.50 -1.33 0.00 0.00 177.39 178.41 1hbv h TRP 6 N 1.54 0.00 -2.58 -1.77 4.06 -2.07 -3.44 115.95 111.70 1hbv h TRP 6 Ca 0.37 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.82 1hbv h TRP 6 Cb 1.52 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.54 1hbv h TRP 6 CO 1.11 0.00 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.66 1hbv s GLN 7 N -3.24 1.56 0.43 0.49 -1.52 -1.26 -5.11 119.66 111.00 1hbv s GLN 7 Ca 0.07 -1.77 -0.26 0.00 -1.95 0.00 0.00 55.36 51.45 1hbv s GLN 7 Cb 0.06 -1.24 -0.09 0.00 -0.22 0.00 0.00 33.01 31.53 1hbv s GLN 7 CO 0.64 0.08 1.42 1.03 -0.25 0.00 0.00 175.29 178.22 1hbv s ARG 8 N -3.69 3.79 -1.06 2.91 0.52 -1.26 -4.90 118.95 115.26 1hbv s ARG 8 Ca 0.29 2.41 -0.21 0.00 -0.52 0.00 0.00 55.73 57.69 1hbv s ARG 8 Cb 0.02 -2.72 0.07 0.00 0.52 0.00 0.00 34.95 32.85 1hbv s ARG 8 CO 0.12 -0.73 1.44 -1.25 0.02 0.00 0.00 175.30 174.90 1hbv s PRO 9 N -2.37 3.67 -0.11 3.54 0.04 -1.26 -4.96 135.00 133.56 1hbv s PRO 9 Ca 0.59 -1.43 -0.03 0.00 0.04 0.00 0.00 61.00 60.17 1hbv s PRO 9 Cb -0.43 -5.30 -0.03 0.00 0.04 0.00 0.00 34.50 28.77 1hbv s PRO 9 CO 0.56 -2.12 0.01 -0.51 0.04 0.00 0.00 177.00 174.98 1hbv s LEU 10 N 4.33 3.62 0.11 -3.56 1.43 -1.26 -0.74 118.68 122.60 1hbv s LEU 10 Ca 0.45 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1hbv s LEU 10 Cb -0.00 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1hbv s LEU 10 CO -0.07 0.32 0.00 0.54 0.23 0.00 0.00 176.35 177.38 1hbv s VAL 11 N -0.53 0.34 -0.18 -1.59 0.11 -0.59 -4.95 120.40 113.01 1hbv s VAL 11 Ca 0.09 -1.90 -0.20 0.00 -2.93 0.00 0.00 61.98 57.04 1hbv s VAL 11 Cb -0.12 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.83 1hbv s VAL 11 CO 0.02 -0.66 0.59 -0.89 -3.33 0.00 0.00 175.10 170.83 1hbv s THR 12 N -3.87 5.06 0.25 5.04 2.01 -1.26 -0.30 115.64 122.57 1hbv s THR 12 Ca 0.18 1.12 0.10 0.00 0.31 0.00 0.00 61.69 63.40 1hbv s THR 12 Cb 0.07 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1hbv s THR 12 CO -0.02 0.16 -0.10 0.27 -0.69 0.00 0.00 174.62 174.24 1hbv s ILE 13 N 1.65 3.00 -0.10 1.82 -4.36 -0.17 -1.51 121.20 121.53 1hbv s ILE 13 Ca 0.28 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1hbv s ILE 13 Cb -0.16 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.00 1hbv s ILE 13 CO 0.11 -0.33 -0.09 -0.75 0.24 0.00 0.00 174.94 174.12 1hbv s LYS 14 N -3.43 1.59 -0.12 0.37 2.20 -0.49 -1.52 119.74 118.35 1hbv s LYS 14 Ca 0.29 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1hbv s LYS 14 Cb -0.06 -1.56 0.05 0.00 -1.51 0.00 0.00 37.83 34.75 1hbv s LYS 14 CO 0.17 -0.19 0.28 -1.50 -0.36 0.00 0.00 175.35 173.75 1hbv s ILE 15 N 1.44 -0.04 -1.63 5.43 2.07 -0.09 -1.39 121.20 126.99 1hbv s ILE 15 Ca 0.00 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1hbv s ILE 15 Cb -0.13 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1hbv s ILE 15 CO -0.05 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1hbv n GLY 16 N 4.22 -0.45 2.08 1.50 0.00 -1.26 -1.28 105.19 110.00 1hbv n GLY 16 Ca -0.25 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 1hbv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbv n GLY 17 N -0.96 0.46 3.45 -0.02 0.00 -1.26 -5.01 105.19 101.86 1hbv n GLY 17 Ca -0.22 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1hbv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hbv s GLN 18 N -0.31 1.77 -0.24 1.61 -0.21 -0.40 -5.11 119.66 116.77 1hbv s GLN 18 Ca 0.00 -1.16 -0.10 0.00 0.02 0.00 0.00 55.36 54.12 1hbv s GLN 18 Cb 0.00 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.89 1hbv s GLN 18 CO 0.00 0.49 0.14 -0.51 -2.12 0.00 0.00 175.29 173.29 1hbv s LEU 19 N -1.91 4.00 0.31 2.90 1.02 -1.26 -0.91 118.68 122.83 1hbv s LEU 19 Ca 0.16 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.40 1hbv s LEU 19 Cb -0.10 -2.07 -0.05 0.00 0.02 0.00 0.00 46.19 43.99 1hbv s LEU 19 CO 0.08 0.06 0.11 -0.54 0.02 0.00 0.00 176.35 176.07 1hbv s LYS 20 N 1.09 1.62 -0.00 1.70 -0.14 -0.57 -5.01 119.74 118.43 1hbv s LYS 20 Ca 0.07 -1.92 0.07 0.00 -1.36 0.00 0.00 55.97 52.83 1hbv s LYS 20 Cb -0.14 -0.43 -0.02 0.00 -1.68 0.00 0.00 37.83 35.57 1hbv s LYS 20 CO 0.05 -0.35 -0.21 -2.00 -0.76 0.00 0.00 175.35 172.08 1hbv s GLU 21 N -3.88 1.63 0.03 1.68 2.12 -1.26 -1.00 118.70 118.02 1hbv s GLU 21 Ca 0.34 -0.80 -0.09 0.00 0.36 0.00 0.00 54.97 54.78 1hbv s GLU 21 Cb 0.06 -1.62 0.00 0.00 0.26 0.00 0.00 34.13 32.83 1hbv s GLU 21 CO 0.15 0.44 0.19 0.00 -0.54 0.00 0.00 175.26 175.50 1hbv s ALA 22 N -0.57 -0.35 0.13 6.30 0.00 0.58 -4.57 121.76 123.29 1hbv s ALA 22 Ca 0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1hbv s ALA 22 Cb -0.08 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 1hbv s ALA 22 CO -0.00 -0.34 1.03 -0.51 0.00 0.00 0.00 175.76 175.94 1hbv s LEU 23 N -2.01 4.48 -0.47 0.00 1.43 -0.42 -1.54 118.68 120.16 1hbv s LEU 23 Ca -0.06 1.92 -0.21 0.00 -1.03 0.00 0.00 54.13 54.75 1hbv s LEU 23 Cb -0.02 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1hbv s LEU 23 CO -0.03 -0.16 0.68 -0.76 0.23 0.00 0.00 176.35 176.31 1hbv s LEU 24 N -0.05 4.55 -0.40 1.79 1.02 0.08 -1.63 118.68 124.03 1hbv s LEU 24 Ca 0.49 -0.46 -0.04 0.00 0.02 0.00 0.00 54.13 54.13 1hbv s LEU 24 Cb -0.26 -2.69 0.10 0.00 0.02 0.00 0.00 46.19 43.36 1hbv s LEU 24 CO 0.32 -0.86 0.20 -0.62 0.02 0.00 0.00 176.35 175.41 1hbv s ASP 25 N 2.26 5.32 0.42 2.29 -1.08 -0.68 -4.75 116.67 120.45 1hbv s ASP 25 Ca 0.22 -1.84 0.21 0.00 -0.52 0.00 0.00 52.55 50.62 1hbv s ASP 25 Cb -0.15 -1.86 0.90 0.00 -1.46 0.00 0.00 42.92 40.35 1hbv s ASP 25 CO 0.18 -0.53 1.83 0.71 0.52 0.00 0.00 175.17 177.88 1hbv h THR 26 N 6.30 0.77 0.00 1.71 1.35 -1.94 -2.67 112.91 118.43 1hbv h THR 26 Ca -0.16 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1hbv h THR 26 Cb 1.06 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1hbv h THR 26 CO 0.71 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 1hbv n GLY 27 N -0.04 -1.22 3.60 5.82 0.00 -1.26 -4.73 105.19 107.37 1hbv n GLY 27 Ca -0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1hbv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbv s ALA 28 N -2.71 3.30 -0.15 4.61 0.00 -1.01 -4.98 121.76 120.83 1hbv s ALA 28 Ca 0.21 -0.76 0.22 0.00 0.00 0.00 0.00 51.96 51.62 1hbv s ALA 28 Cb 0.17 -1.81 0.51 0.00 0.00 0.00 0.00 23.12 21.99 1hbv s ALA 28 CO 0.42 0.21 1.65 -0.44 0.00 0.00 0.00 175.76 177.60 1hbv h ASP 29 N 6.62 0.00 -2.50 0.00 3.32 -1.88 0.14 116.42 122.12 1hbv h ASP 29 Ca -0.36 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.12 1hbv h ASP 29 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1hbv h ASP 29 CO 0.68 0.21 -0.75 -1.81 -1.72 0.00 0.00 179.24 175.85 1hbv s ASP 30 N -6.23 3.31 -0.19 6.45 1.01 -1.26 -2.97 116.67 116.80 1hbv s ASP 30 Ca 0.04 -1.02 -0.10 0.00 0.71 0.00 0.00 52.55 52.18 1hbv s ASP 30 Cb 0.07 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.70 1hbv s ASP 30 CO 0.67 -0.01 0.14 -0.89 0.21 0.00 0.00 175.17 175.29 1hbv s THR 31 N -2.61 5.41 -0.11 -1.27 2.01 -1.26 -3.34 115.64 114.48 1hbv s THR 31 Ca 0.28 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 1hbv s THR 31 Cb -0.04 -3.47 0.05 0.00 0.01 0.00 0.00 72.50 69.04 1hbv s THR 31 CO 0.13 0.45 0.10 0.54 -0.69 0.00 0.00 174.62 175.15 1hbv s VAL 32 N 0.25 -0.14 0.15 3.82 0.11 0.05 -1.73 120.40 122.91 1hbv s VAL 32 Ca 0.09 0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.36 1hbv s VAL 32 Cb -0.11 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1hbv s VAL 32 CO -0.01 -0.02 0.13 -0.76 -3.33 0.00 0.00 175.10 171.11 1hbv s LEU 33 N 2.19 3.81 1.04 2.54 1.43 0.49 -0.88 118.68 129.30 1hbv s LEU 33 Ca 0.04 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1hbv s LEU 33 Cb -0.14 -2.43 0.22 0.00 0.03 0.00 0.00 46.19 43.87 1hbv s LEU 33 CO -0.06 0.08 1.09 -1.83 0.23 0.00 0.00 176.35 175.86 1hbv s GLU 34 N -2.99 0.00 0.15 1.70 -1.05 -1.26 -0.35 118.70 114.91 1hbv s GLU 34 Ca 0.31 1.24 -0.33 0.00 -0.15 0.00 0.00 54.97 56.03 1hbv s GLU 34 Cb -0.10 -1.63 -0.13 0.00 -0.44 0.00 0.00 34.13 31.82 1hbv s GLU 34 CO 0.23 -3.22 1.66 0.39 0.95 0.00 0.00 175.26 175.27 1hbv n GLU 35 N -4.61 2.36 -3.63 -4.83 -0.58 -1.17 -4.33 120.64 103.85 1hbv n GLU 35 Ca 0.08 0.85 -0.12 0.00 -0.42 0.00 0.00 57.16 57.55 1hbv n GLU 35 Cb 0.53 -2.66 -0.05 0.00 -0.57 0.00 0.00 31.44 28.69 1hbv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hbv s MET 36 N 1.34 1.02 -0.40 3.49 0.23 -1.26 -5.03 119.30 118.70 1hbv s MET 36 Ca 0.79 -0.52 -0.29 0.00 -1.03 0.00 0.00 55.69 54.64 1hbv s MET 36 Cb -0.62 0.45 0.02 0.00 -1.53 0.00 0.00 34.83 33.15 1hbv s MET 36 CO 0.37 -0.38 1.16 0.45 -2.03 0.00 0.00 175.02 174.59 1hbv s SER 37 N -2.43 6.71 -0.06 -1.18 0.15 -1.26 -5.00 113.70 110.63 1hbv s SER 37 Ca -0.01 0.79 -0.03 0.00 0.70 0.00 0.00 55.95 57.40 1hbv s SER 37 Cb 0.01 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1hbv s SER 37 CO -0.08 -1.12 0.14 -0.22 1.20 0.00 0.00 173.24 173.16 1hbv s LEU 38 N 4.27 0.83 0.24 3.45 2.96 -1.26 -4.96 118.68 124.21 1hbv s LEU 38 Ca 0.49 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 54.38 1hbv s LEU 38 Cb -0.11 0.35 -0.09 0.00 0.50 0.00 0.00 46.19 46.84 1hbv s LEU 38 CO 0.25 -0.14 0.95 -2.16 -1.32 0.00 0.00 176.35 173.93 1hbv s PRO 39 N 1.04 4.85 0.00 0.98 0.04 -1.26 -4.95 135.00 135.69 1hbv s PRO 39 Ca -0.08 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1hbv s PRO 39 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1hbv s PRO 39 CO -0.05 0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1hbv n GLY 40 N 1.50 0.77 3.74 0.56 0.00 -1.26 -5.04 105.19 105.46 1hbv n GLY 40 Ca -0.02 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1hbv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hbv s ARG 41 N -1.40 3.09 0.15 1.61 1.81 -1.26 -5.10 118.95 117.84 1hbv s ARG 41 Ca 0.00 -0.36 -0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1hbv s ARG 41 Cb 0.00 -2.88 -0.04 0.00 -0.45 0.00 0.00 34.95 31.57 1hbv s ARG 41 CO 0.00 0.71 0.06 1.67 -0.68 0.00 0.00 175.30 177.06 1hbv s TRP 42 N -0.95 0.99 -0.06 -0.53 1.48 -1.26 -4.74 118.94 113.87 1hbv s TRP 42 Ca 0.15 -1.22 0.05 0.00 -1.06 0.00 0.00 56.10 54.02 1hbv s TRP 42 Cb -0.12 -0.54 -0.01 0.00 -1.16 0.00 0.00 33.47 31.64 1hbv s TRP 42 CO 0.04 -0.48 -0.23 0.15 -4.06 0.00 0.00 176.95 172.37 1hbv s LYS 43 N -4.04 2.35 0.16 3.25 3.01 -0.27 -4.90 119.74 119.30 1hbv s LYS 43 Ca 0.27 -0.82 -0.34 0.00 -1.01 0.00 0.00 55.97 54.07 1hbv s LYS 43 Cb 0.07 -1.99 -0.14 0.00 -1.01 0.00 0.00 37.83 34.76 1hbv s LYS 43 CO 0.04 0.33 1.54 -2.30 0.51 0.00 0.00 175.35 175.47 1hbv n PRO 44 N 3.04 2.05 -3.87 -1.68 -0.02 -1.26 0.26 135.00 133.51 1hbv n PRO 44 Ca -0.18 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1hbv n PRO 44 Cb 0.52 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1hbv n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hbv s LYS 45 N 0.74 1.40 -0.03 -0.52 2.20 -0.81 -4.91 119.74 117.81 1hbv s LYS 45 Ca 0.78 -1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1hbv s LYS 45 Cb -0.70 0.48 0.02 0.00 -1.51 0.00 0.00 37.83 36.12 1hbv s LYS 45 CO 0.40 -0.58 0.07 1.41 -0.36 0.00 0.00 175.35 176.29 1hbv s MET 46 N -3.94 0.05 0.40 4.03 -2.45 -1.26 -0.51 119.30 115.61 1hbv s MET 46 Ca 0.15 0.17 0.07 0.00 -1.25 0.00 0.00 55.69 54.83 1hbv s MET 46 Cb -0.00 -0.08 -0.08 0.00 1.25 0.00 0.00 34.83 35.92 1hbv s MET 46 CO 0.02 -0.08 0.00 0.96 1.05 0.00 0.00 175.02 176.97 1hbv s ILE 47 N 0.53 1.98 0.16 10.11 -4.36 0.43 -4.95 121.20 125.11 1hbv s ILE 47 Ca -0.04 -2.02 0.10 0.00 -0.26 0.00 0.00 60.65 58.43 1hbv s ILE 47 Cb -0.06 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 1hbv s ILE 47 CO -0.02 -0.03 -0.23 -0.83 0.24 0.00 0.00 174.94 174.08 1hbv s GLY 48 N -3.68 1.56 0.00 6.27 0.00 -1.26 -1.00 107.32 109.20 1hbv s GLY 48 Ca 0.35 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1hbv s GLY 48 CO 0.18 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.34 1hbv n GLY 49 N 0.48 3.51 3.84 0.20 0.00 0.18 -5.00 105.19 108.40 1hbv n GLY 49 Ca -0.14 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1hbv n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hbv s ILE 50 N -2.24 4.50 0.00 -0.61 -5.25 -1.26 -2.55 121.20 113.78 1hbv s ILE 50 Ca 0.00 1.15 0.00 0.00 -0.99 0.00 0.00 60.65 60.81 1hbv s ILE 50 Cb 0.00 -3.71 0.00 0.00 2.95 0.00 0.00 42.46 41.70 1hbv s ILE 50 CO 0.00 -0.73 0.00 0.61 -1.79 0.00 0.00 174.94 173.03 1hbv n GLY 51 N -1.68 2.96 0.00 6.27 0.00 -1.26 -4.89 105.19 106.59 1hbv n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hbv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbv n GLY 52 N -1.58 0.52 3.49 -0.02 0.00 -1.06 -5.10 105.19 101.44 1hbv n GLY 52 Ca 0.00 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 1hbv n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hbv s PHE 53 N -2.42 3.04 0.13 1.61 -0.71 -1.26 -0.65 117.98 117.71 1hbv s PHE 53 Ca 0.00 -0.31 0.10 0.00 -1.04 0.00 0.00 56.93 55.68 1hbv s PHE 53 Cb 0.00 -1.98 -0.04 0.00 -1.21 0.00 0.00 43.02 39.79 1hbv s PHE 53 CO 0.00 -0.06 -0.25 0.96 -1.34 0.00 0.00 175.22 174.53 1hbv s ILE 54 N 0.47 2.11 -0.13 -4.49 -4.36 -0.17 -4.93 121.20 109.70 1hbv s ILE 54 Ca -0.03 -1.71 -0.17 0.00 -0.26 0.00 0.00 60.65 58.48 1hbv s ILE 54 Cb -0.14 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 1hbv s ILE 54 CO 0.03 0.03 0.44 -0.75 0.24 0.00 0.00 174.94 174.93 1hbv s LYS 55 N -2.05 4.32 0.20 0.37 2.36 -1.26 -0.43 119.74 123.25 1hbv s LYS 55 Ca 0.12 0.37 0.04 0.00 -2.55 0.00 0.00 55.97 53.96 1hbv s LYS 55 Cb -0.10 -3.43 -0.05 0.00 -1.05 0.00 0.00 37.83 33.20 1hbv s LYS 55 CO 0.06 0.18 -0.04 0.14 1.55 0.00 0.00 175.35 177.23 1hbv s VAL 56 N 0.58 1.12 -0.20 4.02 -7.23 0.33 -4.60 120.40 114.42 1hbv s VAL 56 Ca 0.24 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.27 1hbv s VAL 56 Cb -0.15 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1hbv s VAL 56 CO 0.09 -0.47 0.11 -0.13 -0.31 0.00 0.00 175.10 174.38 1hbv s ARG 57 N -3.81 4.07 -0.03 4.82 0.52 -0.54 -1.93 118.95 122.06 1hbv s ARG 57 Ca 0.24 -0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.14 1hbv s ARG 57 Cb 0.04 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 1hbv s ARG 57 CO 0.06 0.24 0.13 1.14 0.02 0.00 0.00 175.30 176.89 1hbv s GLN 58 N 0.50 3.28 -0.03 3.54 -2.07 0.14 -1.04 119.66 123.98 1hbv s GLN 58 Ca 0.06 -0.35 0.01 0.00 -1.82 0.00 0.00 55.36 53.27 1hbv s GLN 58 Cb -0.12 -3.01 0.01 0.00 -1.09 0.00 0.00 33.01 28.80 1hbv s GLN 58 CO -0.00 0.69 -0.04 0.71 -1.32 0.00 0.00 175.29 175.32 1hbv s TYR 59 N -1.19 0.59 0.16 9.60 1.51 0.21 -1.11 117.35 127.12 1hbv s TYR 59 Ca 0.22 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 1hbv s TYR 59 Cb -0.12 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1hbv s TYR 59 CO 0.13 -0.11 0.16 -0.51 -1.11 0.00 0.00 175.55 174.12 1hbv s ASP 60 N 0.51 5.67 -1.29 2.29 1.11 -1.26 -0.83 116.67 122.86 1hbv s ASP 60 Ca -0.06 -0.08 -0.04 0.00 0.18 0.00 0.00 52.55 52.55 1hbv s ASP 60 Cb -0.10 -1.53 0.01 0.00 1.07 0.00 0.00 42.92 42.38 1hbv s ASP 60 CO -0.00 0.06 1.01 1.67 1.18 0.00 0.00 175.17 179.10 1hbv n GLN 61 N -0.40 -6.71 -4.15 8.23 -0.06 -0.86 -4.93 117.38 108.50 1hbv n GLN 61 Ca -0.08 0.79 -0.35 0.00 -2.00 0.00 0.00 57.00 55.36 1hbv n GLN 61 Cb 0.55 -5.74 -0.09 0.00 -4.06 0.00 0.00 30.24 20.89 1hbv n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1hbv s ILE 62 N -3.39 4.73 -0.06 1.69 1.01 -0.19 -4.80 121.20 120.18 1hbv s ILE 62 Ca 0.24 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 1hbv s ILE 62 Cb -0.11 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1hbv s ILE 62 CO 0.75 0.57 0.85 -0.22 0.00 0.00 0.00 174.94 176.88 1hbv s LEU 63 N -0.56 4.31 0.02 2.97 2.96 -1.26 -1.76 118.68 125.36 1hbv s LEU 63 Ca 0.10 1.39 0.06 0.00 -0.22 0.00 0.00 54.13 55.47 1hbv s LEU 63 Cb -0.12 -3.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1hbv s LEU 63 CO 0.02 -0.24 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.99 1hbv s ILE 64 N 1.17 1.55 -0.31 6.68 1.01 -0.12 -4.48 121.20 126.70 1hbv s ILE 64 Ca 0.44 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1hbv s ILE 64 Cb -0.19 -1.33 0.08 0.00 0.01 0.00 0.00 42.46 41.03 1hbv s ILE 64 CO 0.21 0.27 -0.01 -1.61 0.00 0.00 0.00 174.94 173.80 1hbv s GLU 65 N -0.89 1.90 -0.51 2.79 2.02 -0.49 -1.44 118.70 122.07 1hbv s GLU 65 Ca 0.07 -1.61 -0.19 0.00 0.02 0.00 0.00 54.97 53.26 1hbv s GLU 65 Cb -0.08 -3.10 0.06 0.00 0.10 0.00 0.00 34.13 31.11 1hbv s GLU 65 CO 0.01 -0.77 0.63 0.42 0.02 0.00 0.00 175.26 175.57 1hbv s ILE 66 N 1.02 4.86 -1.25 -1.63 1.01 0.11 -1.39 121.20 123.93 1hbv s ILE 66 Ca 0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 1hbv s ILE 66 Cb -0.20 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1hbv s ILE 66 CO -0.06 -0.82 0.65 0.00 0.00 0.00 0.00 174.94 174.71 1hbv n GLY 68 N -1.76 2.48 3.72 0.00 0.00 -1.26 -4.97 105.19 103.39 1hbv n GLY 68 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1hbv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hbv s HIS 69 N -0.06 3.56 0.20 1.61 4.02 -0.30 -4.93 115.29 119.40 1hbv s HIS 69 Ca 0.00 1.52 -0.17 0.00 1.02 0.00 0.00 55.06 57.42 1hbv s HIS 69 Cb 0.00 -3.28 -0.08 0.00 -1.02 0.00 0.00 32.58 28.20 1hbv s HIS 69 CO 0.00 -0.67 0.66 0.15 1.02 0.00 0.00 174.74 175.90 1hbv s LYS 70 N 0.61 4.13 -0.09 1.40 1.02 -1.26 0.04 119.74 125.59 1hbv s LYS 70 Ca 0.54 0.71 -0.20 0.00 0.02 0.00 0.00 55.97 57.04 1hbv s LYS 70 Cb -0.27 -2.86 0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1hbv s LYS 70 CO 0.30 0.40 0.48 0.00 -0.92 0.00 0.00 175.35 175.62 1hbv s ALA 71 N -1.55 -1.23 -0.14 5.17 0.00 -0.52 -4.90 121.76 118.59 1hbv s ALA 71 Ca 0.42 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1hbv s ALA 71 Cb -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1hbv s ALA 71 CO 0.20 -0.28 -0.22 0.42 0.00 0.00 0.00 175.76 175.88 1hbv s ILE 72 N -0.69 2.04 0.04 0.00 -1.09 -1.26 -0.94 121.20 119.30 1hbv s ILE 72 Ca -0.08 -0.97 -0.02 0.00 -2.23 0.00 0.00 60.65 57.36 1hbv s ILE 72 Cb -0.03 -1.81 0.01 0.00 -1.58 0.00 0.00 42.46 39.05 1hbv s ILE 72 CO 0.04 0.55 0.08 0.61 -1.23 0.00 0.00 174.94 174.99 1hbv n GLY 73 N 4.05 1.95 3.72 6.18 0.00 -0.72 -4.89 105.19 115.48 1hbv n GLY 73 Ca -0.20 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 1hbv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hbv s THR 74 N -2.88 5.06 -0.02 2.61 2.01 -1.26 -1.02 115.64 120.14 1hbv s THR 74 Ca 0.02 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.43 1hbv s THR 74 Cb -0.01 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1hbv s THR 74 CO 0.01 0.27 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.37 1hbv s VAL 75 N 0.71 1.28 -0.15 3.82 1.01 -0.01 -4.64 120.40 122.41 1hbv s VAL 75 Ca 0.36 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1hbv s VAL 75 Cb -0.17 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1hbv s VAL 75 CO 0.17 0.36 -0.08 -0.76 0.00 0.00 0.00 175.10 174.80 1hbv s LEU 76 N -0.29 2.98 -0.09 3.92 1.43 -0.70 -0.62 118.68 125.31 1hbv s LEU 76 Ca 0.04 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1hbv s LEU 76 Cb -0.07 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1hbv s LEU 76 CO -0.00 0.14 -0.20 -0.69 0.23 0.00 0.00 176.35 175.83 1hbv s VAL 77 N 0.51 2.49 -0.68 -1.59 1.01 -0.21 -0.38 120.40 121.55 1hbv s VAL 77 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1hbv s VAL 77 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1hbv s VAL 77 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1hbv n GLY 78 N 3.14 -1.17 1.70 4.51 0.00 0.52 -1.46 105.19 112.43 1hbv n GLY 78 Ca -0.18 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 1hbv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hbv n PRO 79 N 0.00 1.22 -2.25 1.61 -0.04 -1.26 -3.05 135.00 131.23 1hbv n PRO 79 Ca 0.00 -0.30 -0.33 0.00 -0.04 0.00 0.00 63.50 62.83 1hbv n PRO 79 Cb 0.00 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.11 1hbv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hbv s THR 80 N 0.49 4.00 0.18 0.52 -1.32 -1.26 -5.01 115.64 113.24 1hbv s THR 80 Ca 0.20 1.01 -0.05 0.00 -1.21 0.00 0.00 61.69 61.64 1hbv s THR 80 Cb 0.10 -3.48 -0.05 0.00 -1.51 0.00 0.00 72.50 67.55 1hbv s THR 80 CO 0.00 -0.50 1.50 -0.65 -2.21 0.00 0.00 174.62 172.77 1hbv h PRO 81 N 0.80 0.65 -5.16 7.08 0.11 -1.96 -3.44 132.00 130.09 1hbv h PRO 81 Ca -0.47 -0.39 -0.36 0.00 0.11 0.00 0.00 66.00 64.89 1hbv h PRO 81 Cb 1.21 0.03 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1hbv h PRO 81 CO 0.59 1.00 -0.70 0.08 -0.21 0.00 0.00 178.00 178.75 1hbv s VAL 82 N -4.11 1.25 -0.04 3.15 1.01 -1.26 -5.08 120.40 115.31 1hbv s VAL 82 Ca -0.08 -2.08 -0.15 0.00 0.00 0.00 0.00 61.98 59.67 1hbv s VAL 82 Cb 0.11 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1hbv s VAL 82 CO 0.85 -0.62 0.40 0.20 0.00 0.00 0.00 175.10 175.92 1hbv s ASN 83 N -3.23 6.73 -0.08 3.32 0.01 -1.26 -4.57 114.94 115.86 1hbv s ASN 83 Ca 0.20 0.87 0.03 0.00 -0.71 0.00 0.00 52.86 53.26 1hbv s ASN 83 Cb 0.03 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.45 1hbv s ASN 83 CO 0.04 0.25 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.05 1hbv s ILE 84 N -0.61 1.66 -0.35 0.60 1.01 -0.06 -1.30 121.20 122.15 1hbv s ILE 84 Ca 0.23 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1hbv s ILE 84 Cb -0.16 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.89 1hbv s ILE 84 CO 0.11 0.47 0.14 -0.63 0.00 0.00 0.00 174.94 175.03 1hbv s ILE 85 N 0.41 4.07 0.42 2.92 -1.09 -0.65 -0.77 121.20 126.50 1hbv s ILE 85 Ca -0.15 -1.00 0.06 0.00 -2.23 0.00 0.00 60.65 57.33 1hbv s ILE 85 Cb -0.16 -3.27 0.06 0.00 -1.58 0.00 0.00 42.46 37.51 1hbv s ILE 85 CO 0.06 -0.17 0.53 0.61 -1.23 0.00 0.00 174.94 174.74 1hbv n GLY 86 N 4.88 2.11 0.24 6.18 0.00 -1.21 -1.69 105.19 115.70 1hbv n GLY 86 Ca -0.12 -2.21 0.14 0.00 0.00 0.00 0.00 46.02 43.83 1hbv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hbv h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.77 -2.29 114.38 116.01 1hbv h ARG 87 Ca -0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.73 1hbv h ARG 87 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1hbv h ARG 87 CO 0.30 0.00 -0.53 -2.95 -1.07 0.00 0.00 179.97 175.73 1hbv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.82 -3.13 115.58 116.60 1hbv h ASN 88 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.02 1hbv h ASN 88 Cb 0.20 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.38 1hbv h ASN 88 CO 0.00 0.53 -2.31 0.18 0.07 0.00 0.00 177.43 175.90 1hbv n LEU 89 N -3.57 0.38 0.27 6.14 4.77 -0.90 -4.44 117.00 119.65 1hbv n LEU 89 Ca -0.00 -0.02 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1hbv n LEU 89 Cb 0.61 0.30 0.76 0.00 -2.33 0.00 0.00 43.42 42.76 1hbv n LEU 89 CO 0.40 0.52 1.10 -0.07 -1.33 0.00 0.00 177.39 178.01 1hbv h LEU 90 N 0.00 0.00 -0.53 2.23 3.38 -1.50 -0.57 115.31 118.32 1hbv h LEU 90 Ca -0.52 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 1hbv h LEU 90 Cb 2.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 1hbv h LEU 90 CO 0.01 0.00 -0.45 0.71 0.09 0.00 0.00 178.44 178.80 1hbv h THR 91 N 0.00 0.90 0.11 0.22 1.35 -1.76 -1.23 112.91 112.50 1hbv h THR 91 Ca 0.01 -1.87 -0.27 0.00 -0.55 0.00 0.00 66.41 63.72 1hbv h THR 91 Cb 0.05 2.16 0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1hbv h THR 91 CO -0.00 0.44 -1.20 -0.61 -0.25 0.00 0.00 175.52 173.90 1hbv h GLN 92 N 0.00 0.38 -0.03 4.72 4.15 -1.32 -3.21 115.11 119.80 1hbv h GLN 92 Ca -0.00 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.85 1hbv h GLN 92 Cb 1.13 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1hbv h GLN 92 CO 0.06 1.24 0.00 0.44 -1.93 0.00 0.00 178.83 178.64 1hbv n ILE 93 N -3.64 0.03 -0.99 2.39 -5.35 -1.08 -4.93 119.36 105.78 1hbv n ILE 93 Ca -0.10 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1hbv n ILE 93 Cb 0.98 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1hbv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hbv n GLY 94 N 1.13 0.67 3.76 3.28 0.00 -1.15 -5.05 105.19 107.83 1hbv n GLY 94 Ca 0.19 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 1hbv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbv s THR 96 N -1.07 0.26 -0.11 0.00 -4.23 -1.26 -4.79 115.64 104.43 1hbv s THR 96 Ca 0.46 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1hbv s THR 96 Cb -0.33 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1hbv s THR 96 CO 0.42 -0.81 0.17 -0.22 -0.54 0.00 0.00 174.62 173.64 1hbv s LEU 97 N -2.44 4.39 0.00 4.79 2.96 -1.26 -5.09 118.68 122.03 1hbv s LEU 97 Ca 0.00 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1hbv s LEU 97 Cb 0.02 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 1hbv s LEU 97 CO -0.06 0.39 -0.03 0.20 -1.32 0.00 0.00 176.35 175.53 1hbv s ASN 98 N -0.96 0.34 0.00 3.68 0.01 -1.26 -5.29 114.94 111.45 1hbv s ASN 98 Ca 0.16 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 1hbv s ASN 98 Cb -0.12 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.51 1hbv s ASN 98 CO 0.05 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.87