#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hb2 s GLN 2 N 0.00 2.27 -0.13 0.54 0.74 -1.26 -5.11 119.66 116.72 2hb2 s GLN 2 Ca 0.00 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.77 2hb2 s GLN 2 Cb 0.00 -2.19 -0.02 0.00 1.10 0.00 0.00 33.01 31.90 2hb2 s GLN 2 CO 0.00 -0.28 -0.08 0.42 -0.55 0.00 0.00 175.29 174.81 2hb2 s ILE 3 N 1.46 3.54 0.44 -2.34 1.01 -1.26 -5.10 121.20 118.95 2hb2 s ILE 3 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2hb2 s ILE 3 Cb -0.14 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 2hb2 s ILE 3 CO -0.10 0.53 0.68 0.42 0.00 0.00 0.00 174.94 176.46 2hb2 s THR 4 N 0.09 4.38 -0.26 2.92 -4.23 -1.26 -5.03 115.64 112.26 2hb2 s THR 4 Ca -0.03 -0.33 0.13 0.00 -1.18 0.00 0.00 61.69 60.28 2hb2 s THR 4 Cb -0.14 -3.63 0.66 0.00 1.34 0.00 0.00 72.50 70.73 2hb2 s THR 4 CO 0.03 -0.48 1.63 0.18 -0.54 0.00 0.00 174.62 175.44 2hb2 n LEU 5 N -2.08 5.06 0.24 4.79 4.77 -1.26 -4.56 117.00 123.97 2hb2 n LEU 5 Ca -0.00 -3.17 0.07 0.00 -0.03 0.00 0.00 56.01 52.89 2hb2 n LEU 5 Cb 0.57 -0.65 0.59 0.00 -2.33 0.00 0.00 43.42 41.59 2hb2 n LEU 5 CO 0.49 0.78 0.98 -0.50 -1.33 0.00 0.00 177.39 177.81 2hb2 h TRP 6 N 2.43 0.00 -3.69 -1.77 4.06 -2.06 -3.43 115.95 111.49 2hb2 h TRP 6 Ca 0.12 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.72 2hb2 h TRP 6 Cb 1.90 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.91 2hb2 h TRP 6 CO 0.96 0.10 -0.62 -1.59 -3.56 0.00 0.00 178.44 173.73 2hb2 s LYS 7 N -4.79 1.41 0.13 0.49 -2.85 -1.26 -5.10 119.74 107.77 2hb2 s LYS 7 Ca -0.04 -1.76 -0.33 0.00 -1.00 0.00 0.00 55.97 52.84 2hb2 s LYS 7 Cb 0.16 -0.32 -0.12 0.00 -2.06 0.00 0.00 37.83 35.49 2hb2 s LYS 7 CO 0.67 -0.27 1.72 0.54 0.10 0.00 0.00 175.35 178.11 2hb2 n ARG 8 N -0.47 2.48 -2.18 1.78 1.74 -1.26 -4.84 116.66 113.91 2hb2 n ARG 8 Ca -0.01 0.90 -0.31 0.00 -0.77 0.00 0.00 57.85 57.66 2hb2 n ARG 8 Cb 0.66 -2.73 -0.05 0.00 -1.02 0.00 0.00 32.46 29.32 2hb2 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2hb2 s PRO 9 N 1.85 2.81 -0.09 5.56 0.04 -1.26 -4.93 135.00 138.97 2hb2 s PRO 9 Ca 0.80 -1.32 -0.15 0.00 0.04 0.00 0.00 61.00 60.38 2hb2 s PRO 9 Cb -0.58 -5.30 -0.05 0.00 0.04 0.00 0.00 34.50 28.61 2hb2 s PRO 9 CO 0.38 -3.61 0.36 -0.51 0.04 0.00 0.00 177.00 173.67 2hb2 s LEU 10 N 9.57 4.34 0.36 -3.56 1.43 -1.26 -1.13 118.68 128.43 2hb2 s LEU 10 Ca 0.65 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 2hb2 s LEU 10 Cb 0.00 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2hb2 s LEU 10 CO 0.12 0.18 0.11 0.68 0.23 0.00 0.00 176.35 177.66 2hb2 s VAL 11 N -0.14 0.73 -0.14 -1.59 -7.23 -0.15 -4.96 120.40 106.93 2hb2 s VAL 11 Ca 0.21 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2hb2 s VAL 11 Cb -0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2hb2 s VAL 11 CO 0.09 0.00 0.04 -0.89 -0.31 0.00 0.00 175.10 174.03 2hb2 s THR 12 N -3.34 4.63 -0.04 5.32 2.01 -1.26 -1.27 115.64 121.68 2hb2 s THR 12 Ca 0.30 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.25 2hb2 s THR 12 Cb 0.05 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 2hb2 s THR 12 CO 0.15 0.53 -0.19 0.27 -0.69 0.00 0.00 174.62 174.69 2hb2 s ILE 13 N -0.18 1.59 -0.27 1.82 -4.36 0.30 -3.31 121.20 116.78 2hb2 s ILE 13 Ca 0.07 -0.81 -0.10 0.00 -0.26 0.00 0.00 60.65 59.55 2hb2 s ILE 13 Cb -0.12 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 2hb2 s ILE 13 CO 0.02 0.45 0.15 -0.75 0.24 0.00 0.00 174.94 175.05 2hb2 s LYS 14 N -0.06 3.82 -0.08 0.37 2.20 0.12 -1.05 119.74 125.07 2hb2 s LYS 14 Ca -0.03 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 2hb2 s LYS 14 Cb -0.12 -3.55 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 2hb2 s LYS 14 CO 0.02 -0.20 0.20 -1.50 -0.36 0.00 0.00 175.35 173.51 2hb2 s ILE 15 N 1.71 -0.00 -1.68 5.43 2.07 -0.19 -1.67 121.20 126.87 2hb2 s ILE 15 Ca 0.07 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 2hb2 s ILE 15 Cb -0.16 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.15 2hb2 s ILE 15 CO 0.08 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2hb2 n GLY 16 N 3.08 0.29 3.46 1.50 0.00 -1.26 -1.19 105.19 111.08 2hb2 n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2hb2 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hb2 n GLY 17 N -0.73 2.78 3.94 -0.02 0.00 -1.26 -4.99 105.19 104.91 2hb2 n GLY 17 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 2hb2 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hb2 s GLN 18 N 0.00 3.51 0.05 1.61 -0.21 -0.33 -5.08 119.66 119.21 2hb2 s GLN 18 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.05 2hb2 s GLN 18 Cb 0.00 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 2hb2 s GLN 18 CO 0.00 0.28 0.09 -0.51 -2.12 0.00 0.00 175.29 173.03 2hb2 s LEU 19 N -3.83 3.90 0.13 2.90 1.43 -1.26 -1.02 118.68 120.94 2hb2 s LEU 19 Ca 0.39 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 2hb2 s LEU 19 Cb -0.10 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.69 2hb2 s LEU 19 CO 0.32 0.21 0.40 -0.54 0.23 0.00 0.00 176.35 176.96 2hb2 s LYS 20 N -2.16 1.09 -0.29 1.70 1.02 -0.22 -4.96 119.74 115.93 2hb2 s LYS 20 Ca 0.28 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.41 2hb2 s LYS 20 Cb -0.12 0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.63 2hb2 s LYS 20 CO 0.20 -0.43 0.14 -1.21 -0.92 0.00 0.00 175.35 173.13 2hb2 s GLU 21 N -3.82 3.59 0.28 1.68 0.41 -1.26 -0.54 118.70 119.04 2hb2 s GLU 21 Ca 0.04 -0.54 0.09 0.00 -0.41 0.00 0.00 54.97 54.15 2hb2 s GLU 21 Cb 0.02 -3.54 -0.06 0.00 -1.78 0.00 0.00 34.13 28.78 2hb2 s GLU 21 CO -0.10 -0.29 -0.11 0.00 -0.49 0.00 0.00 175.26 174.26 2hb2 s ALA 22 N 1.66 2.52 -0.20 5.21 0.00 -0.40 -4.61 121.76 125.95 2hb2 s ALA 22 Ca 0.06 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.05 2hb2 s ALA 22 Cb -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2hb2 s ALA 22 CO 0.07 0.07 0.05 -1.17 0.00 0.00 0.00 175.76 174.78 2hb2 s LEU 23 N -3.48 3.65 -0.20 0.00 2.96 -0.68 -0.97 118.68 119.96 2hb2 s LEU 23 Ca 0.29 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 2hb2 s LEU 23 Cb 0.01 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2hb2 s LEU 23 CO 0.13 0.12 1.44 -0.63 -1.32 0.00 0.00 176.35 176.09 2hb2 s ILE 24 N 0.69 3.96 -0.39 6.68 1.01 -0.28 -1.03 121.20 131.85 2hb2 s ILE 24 Ca 0.03 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.82 2hb2 s ILE 24 Cb -0.13 -3.87 0.11 0.00 0.01 0.00 0.00 42.46 38.58 2hb2 s ILE 24 CO 0.02 -0.26 0.14 -0.62 0.00 0.00 0.00 174.94 174.22 2hb2 s ASP 25 N 3.07 4.28 0.26 3.58 -1.08 -0.64 -4.76 116.67 121.38 2hb2 s ASP 25 Ca 0.63 -2.29 0.22 0.00 -0.52 0.00 0.00 52.55 50.59 2hb2 s ASP 25 Cb -0.23 -1.32 1.00 0.00 -1.46 0.00 0.00 42.92 40.90 2hb2 s ASP 25 CO 0.23 -0.34 1.67 0.35 0.52 0.00 0.00 175.17 177.61 2hb2 n THR 26 N 4.04 0.92 0.81 1.71 -2.24 -1.26 -1.87 114.28 116.39 2hb2 n THR 26 Ca 0.04 0.37 0.08 0.00 -2.27 0.00 0.00 64.05 62.27 2hb2 n THR 26 Cb 0.39 -1.31 0.25 0.00 -2.10 0.00 0.00 70.33 67.55 2hb2 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hb2 n GLY 27 N -0.38 0.81 3.26 3.38 0.00 -1.26 -4.83 105.19 106.17 2hb2 n GLY 27 Ca 0.01 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 2hb2 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb2 s ALA 28 N -1.55 2.33 0.14 4.61 0.00 -0.78 -5.02 121.76 121.49 2hb2 s ALA 28 Ca 0.30 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2hb2 s ALA 28 Cb 0.16 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 2hb2 s ALA 28 CO 0.22 0.20 1.45 -0.44 0.00 0.00 0.00 175.76 177.19 2hb2 h ASP 29 N 6.86 0.98 -1.83 0.00 3.32 -1.88 -0.87 116.42 123.00 2hb2 h ASP 29 Ca -0.24 -0.49 -0.56 0.00 0.02 0.00 0.00 57.03 55.76 2hb2 h ASP 29 Cb 1.22 -0.28 -0.09 0.00 0.22 0.00 0.00 39.33 40.40 2hb2 h ASP 29 CO 0.51 1.29 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.95 2hb2 s ASP 30 N -6.90 4.44 -0.20 6.45 1.01 -1.26 -2.26 116.67 117.95 2hb2 s ASP 30 Ca -0.11 -0.92 -0.08 0.00 0.71 0.00 0.00 52.55 52.15 2hb2 s ASP 30 Cb 0.11 -0.60 -0.04 0.00 1.01 0.00 0.00 42.92 43.40 2hb2 s ASP 30 CO 0.89 -0.34 0.07 -0.89 0.21 0.00 0.00 175.17 175.11 2hb2 s THR 31 N -2.50 4.75 -0.05 -1.27 2.01 -1.26 -3.20 115.64 114.11 2hb2 s THR 31 Ca 0.37 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 2hb2 s THR 31 Cb -0.00 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.37 2hb2 s THR 31 CO 0.21 0.42 0.03 0.54 -0.69 0.00 0.00 174.62 175.14 2hb2 s VAL 32 N 0.68 0.13 0.28 3.82 0.11 -0.53 -0.70 120.40 124.19 2hb2 s VAL 32 Ca 0.04 0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.43 2hb2 s VAL 32 Cb -0.13 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2hb2 s VAL 32 CO 0.02 0.21 0.12 -0.76 -3.33 0.00 0.00 175.10 171.36 2hb2 s LEU 33 N 1.95 3.46 0.80 2.54 1.43 0.57 -1.22 118.68 128.20 2hb2 s LEU 33 Ca 0.03 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2hb2 s LEU 33 Cb -0.12 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.18 2hb2 s LEU 33 CO -0.04 -0.10 1.09 -1.83 0.23 0.00 0.00 176.35 175.70 2hb2 s GLU 34 N -3.80 2.04 0.04 1.70 1.03 -1.26 -1.50 118.70 116.95 2hb2 s GLU 34 Ca 0.34 1.01 -0.38 0.00 0.03 0.00 0.00 54.97 55.96 2hb2 s GLU 34 Cb -0.06 -1.88 -0.18 0.00 -0.80 0.00 0.00 34.13 31.20 2hb2 s GLU 34 CO 0.23 -1.75 1.23 -1.91 -1.33 0.00 0.00 175.26 171.73 2hb2 n GLU 35 N -3.58 0.64 -3.89 -4.83 4.07 -1.16 -4.50 120.64 107.40 2hb2 n GLU 35 Ca 0.08 0.23 -0.08 0.00 -0.06 0.00 0.00 57.16 57.33 2hb2 n GLU 35 Cb 0.54 -1.81 -0.03 0.00 -0.06 0.00 0.00 31.44 30.07 2hb2 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hb2 s MET 36 N 0.36 1.67 -0.42 5.31 0.23 -1.26 -5.02 119.30 120.16 2hb2 s MET 36 Ca 0.88 -1.06 -0.17 0.00 -1.03 0.00 0.00 55.69 54.31 2hb2 s MET 36 Cb -1.10 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 32.78 2hb2 s MET 36 CO 0.52 -0.74 0.45 1.21 -2.03 0.00 0.00 175.02 174.43 2hb2 s ASN 37 N -2.95 6.20 0.01 -1.18 2.47 -1.26 -5.05 114.94 113.19 2hb2 s ASN 37 Ca 0.14 -0.67 0.05 0.00 0.42 0.00 0.00 52.86 52.81 2hb2 s ASN 37 Cb -0.04 -2.23 -0.03 0.00 -1.45 0.00 0.00 41.25 37.50 2hb2 s ASN 37 CO 0.06 -0.60 -0.14 -0.76 -3.72 0.00 0.00 177.10 171.94 2hb2 s LEU 38 N 2.17 2.78 0.12 3.21 1.43 -1.26 -4.84 118.68 122.29 2hb2 s LEU 38 Ca 0.12 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 2hb2 s LEU 38 Cb -0.17 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 2hb2 s LEU 38 CO 0.14 0.28 0.73 -2.16 0.23 0.00 0.00 176.35 175.57 2hb2 s PRO 39 N -1.30 4.49 0.00 1.29 0.04 -1.26 -4.97 135.00 133.29 2hb2 s PRO 39 Ca 0.15 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2hb2 s PRO 39 Cb -0.11 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2hb2 s PRO 39 CO 0.05 0.52 0.00 0.41 0.04 0.00 0.00 177.00 178.02 2hb2 n GLY 40 N 1.80 1.35 3.89 0.56 0.00 -1.26 -5.04 105.19 106.49 2hb2 n GLY 40 Ca -0.06 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 2hb2 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hb2 s ARG 41 N -1.28 3.65 0.25 1.61 1.70 -1.26 -5.09 118.95 118.54 2hb2 s ARG 41 Ca 0.00 0.28 -0.06 0.00 -0.47 0.00 0.00 55.73 55.48 2hb2 s ARG 41 Cb 0.00 -2.42 -0.02 0.00 -0.57 0.00 0.00 34.95 31.94 2hb2 s ARG 41 CO 0.00 -0.07 0.34 1.67 -1.08 0.00 0.00 175.30 176.16 2hb2 s TRP 42 N -2.49 0.86 0.08 5.89 1.48 -1.26 -4.67 118.94 118.83 2hb2 s TRP 42 Ca 0.48 -1.12 0.03 0.00 -1.06 0.00 0.00 56.10 54.44 2hb2 s TRP 42 Cb -0.10 -0.18 -0.03 0.00 -1.16 0.00 0.00 33.47 32.00 2hb2 s TRP 42 CO 0.37 -0.89 -0.09 -1.59 -4.06 0.00 0.00 176.95 170.69 2hb2 s LYS 43 N -3.85 0.74 0.44 3.25 -2.85 -0.82 -4.93 119.74 111.72 2hb2 s LYS 43 Ca 0.31 -1.03 -0.24 0.00 -1.00 0.00 0.00 55.97 54.01 2hb2 s LYS 43 Cb 0.02 -0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 35.26 2hb2 s LYS 43 CO 0.13 0.07 1.19 -1.25 0.10 0.00 0.00 175.35 175.59 2hb2 s PRO 44 N -2.43 3.85 -0.08 1.78 0.04 -1.26 -0.87 135.00 136.03 2hb2 s PRO 44 Ca 0.01 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 2hb2 s PRO 44 Cb -0.05 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 31.99 2hb2 s PRO 44 CO -0.00 -0.50 0.30 0.21 0.04 0.00 0.00 177.00 177.05 2hb2 s LYS 45 N -2.53 0.45 -0.25 4.56 2.20 -0.97 -4.83 119.74 118.38 2hb2 s LYS 45 Ca 0.61 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 2hb2 s LYS 45 Cb -0.31 0.21 0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2hb2 s LYS 45 CO 0.38 -0.08 -0.09 0.42 -0.36 0.00 0.00 175.35 175.61 2hb2 s ILE 46 N -0.32 2.54 0.00 5.43 1.01 -1.26 -0.68 121.20 127.92 2hb2 s ILE 46 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.35 2hb2 s ILE 46 Cb -0.03 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2hb2 s ILE 46 CO 0.02 0.14 0.00 2.30 0.00 0.00 0.00 174.94 177.40 2hb2 n ILE 47 N 4.58 0.00 -2.91 2.92 -5.35 -0.18 -4.92 119.36 113.50 2hb2 n ILE 47 Ca -0.16 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 2hb2 n ILE 47 Cb 0.45 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.41 2hb2 n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hb2 n ILE 50 N 0.00 -4.81 -4.74 7.28 0.13 -1.26 -4.04 119.36 111.92 2hb2 n ILE 50 Ca 0.00 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.15 2hb2 n ILE 50 Cb 0.00 -4.55 0.00 0.00 -0.84 0.00 0.00 39.64 34.25 2hb2 n ILE 50 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2hb2 n GLY 51 N -1.15 0.42 0.00 4.50 0.00 -1.26 -4.86 105.19 102.84 2hb2 n GLY 51 Ca -0.16 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2hb2 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hb2 n GLY 52 N 0.00 1.40 3.77 -0.02 0.00 -1.26 -5.05 105.19 104.04 2hb2 n GLY 52 Ca 0.00 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 2hb2 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hb2 s LEU 53 N 0.00 4.15 0.03 0.99 1.43 -1.26 -5.02 118.68 119.00 2hb2 s LEU 53 Ca 0.00 2.30 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 2hb2 s LEU 53 Cb 0.00 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 2hb2 s LEU 53 CO 0.00 -0.70 -0.05 0.27 0.23 0.00 0.00 176.35 176.09 2hb2 s ILE 54 N -1.47 0.34 0.05 -0.59 -4.36 -1.26 -4.98 121.20 108.92 2hb2 s ILE 54 Ca 0.59 -1.05 -0.12 0.00 -0.26 0.00 0.00 60.65 59.80 2hb2 s ILE 54 Cb -0.29 -0.51 -0.06 0.00 1.25 0.00 0.00 42.46 42.85 2hb2 s ILE 54 CO 0.36 -0.47 0.41 -0.54 0.24 0.00 0.00 174.94 174.94 2hb2 s LYS 55 N -1.68 3.84 0.31 0.37 1.02 -1.26 -1.01 119.74 121.33 2hb2 s LYS 55 Ca -0.11 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.20 2hb2 s LYS 55 Cb -0.09 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2hb2 s LYS 55 CO -0.01 0.61 0.31 0.14 -0.92 0.00 0.00 175.35 175.49 2hb2 s VAL 56 N -1.26 0.00 -0.18 3.17 -7.23 0.14 -4.53 120.40 110.51 2hb2 s VAL 56 Ca 0.29 -1.87 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2hb2 s VAL 56 Cb -0.15 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 2hb2 s VAL 56 CO 0.16 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.71 2hb2 s ARG 57 N -3.49 3.27 -0.39 4.82 0.52 0.22 -2.29 118.95 121.61 2hb2 s ARG 57 Ca 0.37 -0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 54.68 2hb2 s ARG 57 Cb 0.02 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.73 2hb2 s ARG 57 CO 0.22 -0.08 0.58 -1.14 0.02 0.00 0.00 175.30 174.90 2hb2 s GLN 58 N 1.10 3.44 -0.13 3.54 0.74 -0.05 -0.76 119.66 127.55 2hb2 s GLN 58 Ca 0.00 -0.26 -0.04 0.00 0.05 0.00 0.00 55.36 55.12 2hb2 s GLN 58 Cb -0.14 -3.88 -0.03 0.00 1.10 0.00 0.00 33.01 30.05 2hb2 s GLN 58 CO -0.03 -0.83 0.01 0.71 -0.55 0.00 0.00 175.29 174.60 2hb2 s TYR 59 N 2.60 3.16 0.22 1.67 1.51 -0.61 -1.95 117.35 123.97 2hb2 s TYR 59 Ca 0.21 0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.38 2hb2 s TYR 59 Cb -0.15 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2hb2 s TYR 59 CO 0.16 0.27 0.20 -0.51 -1.11 0.00 0.00 175.55 174.56 2hb2 s ASP 60 N -0.27 5.61 -1.49 2.29 1.01 -1.26 -1.02 116.67 121.54 2hb2 s ASP 60 Ca 0.06 -0.18 -0.06 0.00 0.71 0.00 0.00 52.55 53.09 2hb2 s ASP 60 Cb -0.12 -1.47 0.05 0.00 1.01 0.00 0.00 42.92 42.39 2hb2 s ASP 60 CO 0.02 -0.01 0.54 0.00 0.21 0.00 0.00 175.17 175.93 2hb2 n GLN 61 N -0.95 -3.36 -3.40 8.23 6.02 -1.16 -4.89 117.38 117.87 2hb2 n GLN 61 Ca -0.08 0.40 -0.38 0.00 -0.01 0.00 0.00 57.00 56.93 2hb2 n GLN 61 Cb 0.57 -4.72 -0.06 0.00 1.02 0.00 0.00 30.24 27.05 2hb2 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hb2 s ILE 62 N -3.76 5.12 0.28 5.09 -1.09 -0.11 -4.68 121.20 122.06 2hb2 s ILE 62 Ca 0.23 0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 59.25 2hb2 s ILE 62 Cb -0.13 -3.77 -0.09 0.00 -1.58 0.00 0.00 42.46 36.89 2hb2 s ILE 62 CO 0.90 0.43 1.06 -2.84 -1.23 0.00 0.00 174.94 173.25 2hb2 s PRO 63 N -0.05 4.65 0.14 2.79 0.02 -1.26 -1.85 135.00 139.45 2hb2 s PRO 63 Ca 0.24 1.71 -0.06 0.00 0.02 0.00 0.00 61.00 62.91 2hb2 s PRO 63 Cb -0.16 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 2hb2 s PRO 63 CO 0.11 0.25 0.20 0.96 -0.33 0.00 0.00 177.00 178.19 2hb2 s ILE 64 N -1.21 0.09 -0.12 2.83 -5.25 0.07 -4.47 121.20 113.14 2hb2 s ILE 64 Ca 0.45 -1.54 -0.04 0.00 -0.99 0.00 0.00 60.65 58.53 2hb2 s ILE 64 Cb -0.30 -1.85 0.06 0.00 2.95 0.00 0.00 42.46 43.33 2hb2 s ILE 64 CO 0.38 -0.40 0.21 -0.70 -1.79 0.00 0.00 174.94 172.63 2hb2 s GLU 65 N -3.98 0.10 -0.34 0.37 2.12 -0.67 -1.54 118.70 114.75 2hb2 s GLU 65 Ca 0.18 0.58 0.01 0.00 0.36 0.00 0.00 54.97 56.10 2hb2 s GLU 65 Cb 0.05 -0.32 0.09 0.00 0.26 0.00 0.00 34.13 34.21 2hb2 s GLU 65 CO -0.01 -0.35 0.06 0.42 -0.54 0.00 0.00 175.26 174.85 2hb2 s ILE 66 N 2.34 2.62 -1.04 -3.70 1.01 -1.06 -0.71 121.20 120.68 2hb2 s ILE 66 Ca 0.03 -2.06 -0.12 0.00 0.00 0.00 0.00 60.65 58.51 2hb2 s ILE 66 Cb -0.13 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 2hb2 s ILE 66 CO -0.08 -0.49 0.82 0.00 0.00 0.00 0.00 174.94 175.20 2hb2 n GLY 68 N -1.52 -0.02 2.80 0.00 0.00 -1.26 -4.90 105.19 100.30 2hb2 n GLY 68 Ca -0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 2hb2 n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hb2 n HIS 69 N 0.00 -2.98 -3.12 1.61 -0.00 -1.26 -4.76 115.22 104.71 2hb2 n HIS 69 Ca 0.00 1.56 -0.39 0.00 -0.00 0.00 0.00 57.72 58.89 2hb2 n HIS 69 Cb 0.00 -3.06 -0.05 0.00 -0.00 0.00 0.00 29.99 26.88 2hb2 n HIS 69 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2hb2 s LYS 70 N -0.90 4.36 0.20 -0.41 1.02 -1.26 -2.57 119.74 120.18 2hb2 s LYS 70 Ca -0.11 0.72 -0.02 0.00 0.02 0.00 0.00 55.97 56.57 2hb2 s LYS 70 Cb 0.01 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2hb2 s LYS 70 CO 0.55 0.00 0.17 0.00 -0.92 0.00 0.00 175.35 175.15 2hb2 s ALA 71 N 1.06 0.97 0.07 5.17 0.00 -0.59 -4.94 121.76 123.49 2hb2 s ALA 71 Ca 0.33 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.74 2hb2 s ALA 71 Cb -0.17 1.31 -0.03 0.00 0.00 0.00 0.00 23.12 24.23 2hb2 s ALA 71 CO 0.14 -0.61 -0.09 0.96 0.00 0.00 0.00 175.76 176.16 2hb2 s ILE 72 N -4.13 0.74 -1.93 0.00 -4.36 -1.26 -0.75 121.20 109.50 2hb2 s ILE 72 Ca 0.36 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2hb2 s ILE 72 Cb 0.06 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.74 2hb2 s ILE 72 CO 0.11 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.41 2hb2 n GLY 73 N 0.97 -1.56 3.74 6.27 0.00 -0.77 -4.87 105.19 108.96 2hb2 n GLY 73 Ca -0.19 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 2hb2 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hb2 s THR 74 N -2.48 4.40 -0.08 2.61 2.01 -1.26 -0.94 115.64 119.90 2hb2 s THR 74 Ca 0.00 2.00 0.01 0.00 0.31 0.00 0.00 61.69 64.01 2hb2 s THR 74 Cb 0.00 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2hb2 s THR 74 CO 0.00 0.39 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 2hb2 s VAL 75 N -0.42 1.05 -0.16 3.82 1.01 -0.19 -4.53 120.40 120.98 2hb2 s VAL 75 Ca 0.43 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2hb2 s VAL 75 Cb -0.24 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2hb2 s VAL 75 CO 0.29 0.35 0.31 -0.76 0.00 0.00 0.00 175.10 175.29 2hb2 s LEU 76 N 1.08 4.24 -0.14 3.92 1.43 0.12 -1.57 118.68 127.77 2hb2 s LEU 76 Ca -0.07 0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2hb2 s LEU 76 Cb -0.14 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2hb2 s LEU 76 CO -0.01 0.09 -0.13 -0.63 0.23 0.00 0.00 176.35 175.90 2hb2 s ILE 77 N 0.51 3.05 -0.70 -0.59 -1.09 0.06 -0.32 121.20 122.12 2hb2 s ILE 77 Ca 0.17 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 2hb2 s ILE 77 Cb -0.13 -2.29 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 2hb2 s ILE 77 CO 0.04 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 2hb2 n GLY 78 N 3.63 -1.29 2.29 6.18 0.00 -0.56 -0.61 105.19 114.83 2hb2 n GLY 78 Ca -0.18 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 2hb2 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hb2 n PRO 79 N -0.04 2.03 -2.41 1.61 -0.04 -1.26 -2.96 135.00 131.92 2hb2 n PRO 79 Ca 0.00 -1.18 -0.41 0.00 -0.04 0.00 0.00 63.50 61.87 2hb2 n PRO 79 Cb 0.00 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.24 2hb2 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2hb2 s THR 80 N 2.14 3.44 0.54 0.52 -1.32 -1.26 -4.91 115.64 114.78 2hb2 s THR 80 Ca 0.50 1.37 0.38 0.00 -1.21 0.00 0.00 61.69 62.74 2hb2 s THR 80 Cb 0.19 -3.87 0.40 0.00 -1.51 0.00 0.00 72.50 67.71 2hb2 s THR 80 CO -0.02 0.30 2.26 -0.65 -2.21 0.00 0.00 174.62 174.30 2hb2 h PRO 81 N 4.20 0.00 -2.06 7.08 0.11 -1.91 -3.44 132.00 135.97 2hb2 h PRO 81 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2hb2 h PRO 81 Cb 1.21 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 2hb2 h PRO 81 CO 0.69 0.02 0.20 0.00 -0.21 0.00 0.00 178.00 178.70 2hb2 s ALA 82 N -4.18 -1.76 0.06 -0.75 0.00 -1.26 -5.11 121.76 108.75 2hb2 s ALA 82 Ca -0.04 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 2hb2 s ALA 82 Cb 0.13 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.23 2hb2 s ALA 82 CO 0.48 -0.40 1.41 -0.80 0.00 0.00 0.00 175.76 176.45 2hb2 s ASN 83 N -1.30 6.82 -0.06 0.00 0.01 -1.26 -4.77 114.94 114.38 2hb2 s ASN 83 Ca -0.10 2.23 0.01 0.00 -0.71 0.00 0.00 52.86 54.30 2hb2 s ASN 83 Cb -0.00 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.11 2hb2 s ASN 83 CO 0.08 -0.70 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.27 2hb2 s ILE 84 N 1.84 0.79 -0.36 0.60 1.01 -0.36 -1.69 121.20 123.03 2hb2 s ILE 84 Ca 0.65 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 2hb2 s ILE 84 Cb -0.34 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2hb2 s ILE 84 CO 0.29 0.29 0.35 -0.63 0.00 0.00 0.00 174.94 175.24 2hb2 s ILE 85 N 0.98 5.18 0.50 2.92 -1.09 -0.19 -1.46 121.20 128.04 2hb2 s ILE 85 Ca -0.10 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 2hb2 s ILE 85 Cb -0.15 -3.85 0.10 0.00 -1.58 0.00 0.00 42.46 36.99 2hb2 s ILE 85 CO 0.00 -0.14 0.69 0.61 -1.23 0.00 0.00 174.94 174.86 2hb2 n GLY 86 N 5.02 0.92 0.37 6.18 0.00 -1.20 -1.61 105.19 114.87 2hb2 n GLY 86 Ca -0.09 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 43.88 2hb2 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hb2 h ARG 87 N 0.00 1.15 -1.00 1.61 3.08 -1.09 -1.29 114.38 116.83 2hb2 h ARG 87 Ca -0.23 -0.07 0.29 0.00 0.07 0.00 0.00 59.98 60.04 2hb2 h ARG 87 Cb 0.88 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2hb2 h ARG 87 CO 0.26 0.76 0.77 -2.95 -1.07 0.00 0.00 179.97 177.74 2hb2 h ASN 88 N 1.19 0.00 0.00 7.04 7.08 -1.72 0.15 115.58 129.31 2hb2 h ASN 88 Ca 0.34 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 53.24 2hb2 h ASN 88 Cb -0.08 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.10 2hb2 h ASN 88 CO -0.09 0.00 -2.20 0.18 -2.08 0.00 0.00 177.43 173.25 2hb2 n LEU 89 N -4.07 0.35 0.01 6.14 4.77 -0.86 -4.32 117.00 119.01 2hb2 n LEU 89 Ca 0.21 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 2hb2 n LEU 89 Cb 1.11 0.29 0.37 0.00 -2.33 0.00 0.00 43.42 42.86 2hb2 n LEU 89 CO 0.37 0.48 1.05 -0.07 -1.33 0.00 0.00 177.39 177.90 2hb2 h LEU 90 N 0.00 0.46 -0.97 2.23 3.38 0.31 -0.54 115.31 120.18 2hb2 h LEU 90 Ca -0.47 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.35 2hb2 h LEU 90 Cb 2.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2hb2 h LEU 90 CO 0.01 0.43 -0.38 0.71 0.09 0.00 0.00 178.44 179.31 2hb2 h THR 91 N 0.51 1.30 0.00 0.22 1.35 -1.10 -0.72 112.91 114.46 2hb2 h THR 91 Ca 0.13 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2hb2 h THR 91 Cb 0.12 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2hb2 h THR 91 CO -0.01 0.44 0.00 1.56 -0.25 0.00 0.00 175.52 177.25 2hb2 h GLN 92 N 0.23 0.00 -0.19 4.72 1.08 -1.29 -2.23 115.11 117.44 2hb2 h GLN 92 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2hb2 h GLN 92 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2hb2 h GLN 92 CO 0.06 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.38 2hb2 n ILE 93 N -2.51 0.51 -3.09 2.54 -5.35 -1.15 -4.79 119.36 105.52 2hb2 n ILE 93 Ca 0.01 -0.76 -0.13 0.00 -0.27 0.00 0.00 62.75 61.60 2hb2 n ILE 93 Cb 0.24 0.86 0.04 0.00 -1.74 0.00 0.00 39.64 39.04 2hb2 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hb2 n GLY 94 N 0.57 0.13 3.73 3.28 0.00 -0.84 -5.00 105.19 107.06 2hb2 n GLY 94 Ca 0.09 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2hb2 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb2 s THR 96 N 0.13 0.82 -0.16 0.00 -4.23 -1.26 -4.70 115.64 106.24 2hb2 s THR 96 Ca 0.44 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 2hb2 s THR 96 Cb -0.22 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2hb2 s THR 96 CO 0.26 -0.63 0.13 -0.76 -0.54 0.00 0.00 174.62 173.08 2hb2 s LEU 97 N -3.15 4.26 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.66 2hb2 s LEU 97 Ca 0.19 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2hb2 s LEU 97 Cb 0.05 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2hb2 s LEU 97 CO 0.01 0.29 -0.02 0.20 0.23 0.00 0.00 176.35 177.06 2hb2 s ASN 98 N -0.29 0.40 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.92 2hb2 s ASN 98 Ca 0.11 -0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 2hb2 s ASN 98 Cb -0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.99 2hb2 s ASN 98 CO 0.01 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.74