#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a28 s ALA 2 N 0.00 0.11 0.09 4.61 0.00 -1.26 -0.79 121.76 124.52 2a28 s ALA 2 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2a28 s ALA 2 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2a28 s ALA 2 CO 0.00 -0.46 -0.17 -1.64 0.00 0.00 0.00 175.76 173.50 2a28 s MET 3 N -3.90 0.96 -0.19 0.00 -1.94 0.03 -4.91 119.30 109.35 2a28 s MET 3 Ca 0.07 -1.07 -0.03 0.00 -1.71 0.00 0.00 55.69 52.94 2a28 s MET 3 Cb 0.06 -1.04 -0.01 0.00 2.01 0.00 0.00 34.83 35.85 2a28 s MET 3 CO -0.10 0.23 -0.06 -2.00 -0.01 0.00 0.00 175.02 173.08 2a28 s GLU 4 N -1.94 3.42 0.18 2.03 2.12 0.40 -0.34 118.70 124.57 2a28 s GLU 4 Ca 0.03 -0.62 -0.31 0.00 0.36 0.00 0.00 54.97 54.43 2a28 s GLU 4 Cb -0.09 -2.91 -0.09 0.00 0.26 0.00 0.00 34.13 31.29 2a28 s GLU 4 CO 0.03 -0.04 1.45 0.00 -0.54 0.00 0.00 175.26 176.15 2a28 s ALA 5 N 1.07 3.65 -0.17 6.30 0.00 -0.13 -0.74 121.76 131.74 2a28 s ALA 5 Ca 0.01 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2a28 s ALA 5 Cb -0.15 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2a28 s ALA 5 CO -0.01 -0.69 0.20 0.44 0.00 0.00 0.00 175.76 175.70 2a28 n ILE 6 N 3.29 0.00 -4.04 0.00 -5.35 0.43 -1.00 119.36 112.69 2a28 n ILE 6 Ca 0.10 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 2a28 n ILE 6 Cb 0.41 1.01 -0.11 0.00 -1.74 0.00 0.00 39.64 39.21 2a28 n ILE 6 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2a28 s TYR 7 N -1.07 0.50 0.31 4.28 2.02 -0.92 -4.78 117.35 117.69 2a28 s TYR 7 Ca 0.01 -0.63 -0.27 0.00 -0.37 0.00 0.00 57.07 55.81 2a28 s TYR 7 Cb 0.02 -0.32 -0.10 0.00 -0.40 0.00 0.00 41.96 41.16 2a28 s TYR 7 CO 0.09 -0.18 0.95 0.00 -1.57 0.00 0.00 175.55 174.85 2a28 s ALA 8 N -2.00 3.23 -0.03 3.71 0.00 -1.26 -4.23 121.76 121.18 2a28 s ALA 8 Ca -0.08 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.46 2a28 s ALA 8 Cb -0.06 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.88 2a28 s ALA 8 CO -0.02 0.16 -0.06 -0.47 0.00 0.00 0.00 175.76 175.36 2a28 s TYR 9 N -1.53 0.78 -0.29 0.00 5.04 -0.24 -4.98 117.35 116.14 2a28 s TYR 9 Ca 0.49 -0.20 -0.12 0.00 -2.44 0.00 0.00 57.07 54.79 2a28 s TYR 9 Cb -0.20 -0.61 -0.04 0.00 0.35 0.00 0.00 41.96 41.45 2a28 s TYR 9 CO 0.26 -0.13 0.25 -2.00 -1.34 0.00 0.00 175.55 172.59 2a28 s GLU 10 N 0.50 3.90 0.49 4.97 2.12 -1.26 -1.53 118.70 127.90 2a28 s GLU 10 Ca -0.07 -0.26 -0.22 0.00 0.36 0.00 0.00 54.97 54.77 2a28 s GLU 10 Cb -0.11 -3.68 -0.08 0.00 0.26 0.00 0.00 34.13 30.53 2a28 s GLU 10 CO 0.00 -0.25 1.13 0.00 -0.54 0.00 0.00 175.26 175.60 2a28 n ALA 11 N 5.15 0.72 -2.14 6.30 0.00 -1.26 -4.91 120.51 124.37 2a28 n ALA 11 Ca -0.12 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2a28 n ALA 11 Cb 0.51 -2.19 0.06 0.00 0.00 0.00 0.00 19.45 17.83 2a28 n ALA 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a28 n GLN 12 N -0.40 2.76 0.00 0.00 6.02 -1.26 -4.96 117.38 119.53 2a28 n GLN 12 Ca 0.10 -3.80 0.00 0.00 -0.01 0.00 0.00 57.00 53.29 2a28 n GLN 12 Cb 0.42 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.75 2a28 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a28 n GLY 13 N -0.69 2.14 0.27 1.08 0.00 -1.26 -4.98 105.19 101.75 2a28 n GLY 13 Ca 0.31 -0.77 0.18 0.00 0.00 0.00 0.00 46.02 45.74 2a28 n GLY 13 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2a28 h ASP 14 N 0.00 0.00 0.04 1.61 3.32 -2.03 -1.84 116.42 117.52 2a28 h ASP 14 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a28 h ASP 14 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2a28 h ASP 14 CO 0.00 0.00 -0.09 -0.90 -1.72 0.00 0.00 179.24 176.53 2a28 n ASP 15 N -2.94 1.73 -4.82 6.45 5.75 -1.26 -4.94 116.55 116.52 2a28 n ASP 15 Ca -0.00 -1.47 -0.25 0.00 -0.01 0.00 0.00 54.79 53.06 2a28 n ASP 15 Cb 0.23 0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.34 2a28 n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2a28 s GLU 16 N -2.15 2.94 0.05 0.11 2.02 -0.69 -0.85 118.70 120.13 2a28 s GLU 16 Ca 0.32 -0.90 0.09 0.00 0.02 0.00 0.00 54.97 54.49 2a28 s GLU 16 Cb 0.20 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 2a28 s GLU 16 CO 0.39 0.46 -0.24 0.96 0.02 0.00 0.00 175.26 176.84 2a28 s ILE 17 N -1.86 1.98 0.19 -1.63 -4.36 -0.30 -4.71 121.20 110.50 2a28 s ILE 17 Ca 0.32 -1.34 -0.30 0.00 -0.26 0.00 0.00 60.65 59.07 2a28 s ILE 17 Cb -0.09 -1.71 -0.08 0.00 1.25 0.00 0.00 42.46 41.83 2a28 s ILE 17 CO 0.24 0.30 1.10 -0.44 0.24 0.00 0.00 174.94 176.37 2a28 s SER 18 N -1.26 7.27 0.14 4.36 0.01 -1.26 -4.31 113.70 118.66 2a28 s SER 18 Ca 0.10 2.10 0.08 0.00 1.31 0.00 0.00 55.95 59.54 2a28 s SER 18 Cb -0.10 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 2a28 s SER 18 CO 0.02 -0.21 -0.18 0.27 0.41 0.00 0.00 173.24 173.55 2a28 s ILE 19 N -0.33 1.73 0.07 1.44 -4.36 -0.58 -4.95 121.20 114.22 2a28 s ILE 19 Ca 0.49 -1.79 0.05 0.00 -0.26 0.00 0.00 60.65 59.14 2a28 s ILE 19 Cb -0.29 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 2a28 s ILE 19 CO 0.35 -0.26 -0.14 -1.81 0.24 0.00 0.00 174.94 173.32 2a28 s ASP 20 N -2.44 1.66 0.10 4.36 1.01 -1.26 -1.07 116.67 119.03 2a28 s ASP 20 Ca 0.12 -0.59 -0.36 0.00 0.71 0.00 0.00 52.55 52.44 2a28 s ASP 20 Cb -0.07 -0.06 -0.17 0.00 1.01 0.00 0.00 42.92 43.63 2a28 s ASP 20 CO 0.06 -0.06 1.18 -2.65 0.21 0.00 0.00 175.17 173.91 2a28 n PRO 21 N 1.39 0.85 0.00 8.23 -0.02 -1.26 -1.47 135.00 142.71 2a28 n PRO 21 Ca -0.21 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2a28 n PRO 21 Cb 0.54 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2a28 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a28 n GLY 22 N 2.12 1.16 3.74 -1.23 0.00 -0.17 -4.98 105.19 105.82 2a28 n GLY 22 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2a28 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a28 n ASP 23 N 0.00 3.94 -4.42 1.61 8.00 -0.55 -4.76 116.55 120.38 2a28 n ASP 23 Ca 0.00 1.12 -0.40 0.00 0.71 0.00 0.00 54.79 56.22 2a28 n ASP 23 Cb 0.00 -1.59 -0.11 0.00 -0.02 0.00 0.00 41.12 39.39 2a28 n ASP 23 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2a28 s ILE 24 N 0.37 4.65 -0.24 0.53 -1.09 -1.26 -0.96 121.20 123.20 2a28 s ILE 24 Ca 0.67 -0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 58.42 2a28 s ILE 24 Cb -0.49 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 2a28 s ILE 24 CO 0.43 -0.09 0.01 -0.63 -1.23 0.00 0.00 174.94 173.43 2a28 s ILE 25 N 1.59 3.71 -0.02 2.92 1.01 0.54 -4.66 121.20 126.29 2a28 s ILE 25 Ca 0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 2a28 s ILE 25 Cb -0.18 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2a28 s ILE 25 CO 0.07 0.34 1.10 -0.89 0.00 0.00 0.00 174.94 175.56 2a28 s THR 26 N 1.52 4.47 -0.06 2.92 2.01 0.12 -0.79 115.64 125.82 2a28 s THR 26 Ca 0.05 1.77 -0.29 0.00 0.31 0.00 0.00 61.69 63.54 2a28 s THR 26 Cb -0.15 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 2a28 s THR 26 CO -0.01 0.07 0.94 -0.69 -0.69 0.00 0.00 174.62 174.24 2a28 s VAL 27 N 1.60 4.86 -0.25 3.82 1.01 0.03 -0.83 120.40 130.65 2a28 s VAL 27 Ca 0.54 1.93 -0.04 0.00 0.00 0.00 0.00 61.98 64.41 2a28 s VAL 27 Cb -0.24 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 31.74 2a28 s VAL 27 CO 0.24 0.11 -0.26 -0.38 0.00 0.00 0.00 175.10 174.81 2a28 n ILE 28 N 4.19 1.38 -3.68 2.22 5.41 0.09 -4.45 119.36 124.52 2a28 n ILE 28 Ca 0.06 -0.45 -0.24 0.00 1.00 0.00 0.00 62.75 63.12 2a28 n ILE 28 Cb 0.50 -1.55 -0.17 0.00 -0.71 0.00 0.00 39.64 37.71 2a28 n ILE 28 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2a28 s ARG 29 N -2.47 0.24 0.96 0.38 3.00 -0.58 -5.02 118.95 115.46 2a28 s ARG 29 Ca -0.34 0.05 -0.13 0.00 -1.00 0.00 0.00 55.73 54.31 2a28 s ARG 29 Cb 0.10 -1.28 0.17 0.00 0.00 0.00 0.00 34.95 33.94 2a28 s ARG 29 CO 0.51 -0.48 1.14 0.20 0.00 0.00 0.00 175.30 176.66 2a28 s GLY 30 N 2.07 1.58 0.15 8.12 0.00 -1.26 -1.19 107.32 116.78 2a28 s GLY 30 Ca 0.03 -0.58 -0.31 0.00 0.00 0.00 0.00 44.72 43.86 2a28 s GLY 30 CO -0.06 0.04 1.80 -0.35 0.00 0.00 0.00 173.10 174.53 2a28 s ASP 31 N -3.94 6.41 -0.19 1.64 -1.08 -1.26 -4.78 116.67 113.47 2a28 s ASP 31 Ca 0.65 2.80 0.15 0.00 -0.52 0.00 0.00 52.55 55.63 2a28 s ASP 31 Cb -0.14 -2.58 0.71 0.00 -1.46 0.00 0.00 42.92 39.45 2a28 s ASP 31 CO 0.54 -1.00 1.63 -0.90 0.52 0.00 0.00 175.17 175.96 2a28 n ASP 32 N 5.20 4.98 0.00 -0.34 3.85 -1.26 -4.87 116.55 124.11 2a28 n ASP 32 Ca 0.17 -2.82 0.00 0.00 -0.71 0.00 0.00 54.79 51.43 2a28 n ASP 32 Cb 0.37 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 2a28 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a28 n GLY 33 N 0.44 1.00 0.19 6.12 0.00 -1.26 -4.96 105.19 106.71 2a28 n GLY 33 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.41 2a28 n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a28 h SER 34 N 0.00 0.00 0.00 1.61 4.64 -1.96 -3.47 113.55 114.37 2a28 h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a28 h SER 34 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2a28 h SER 34 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2a28 n GLY 35 N 0.65 0.55 3.41 -0.77 0.00 -1.26 -5.07 105.19 102.70 2a28 n GLY 35 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2a28 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a28 s TRP 36 N -2.26 2.52 -0.01 1.61 0.52 -1.26 -1.48 118.94 118.58 2a28 s TRP 36 Ca 0.00 -0.29 0.05 0.00 0.02 0.00 0.00 56.10 55.88 2a28 s TRP 36 Cb 0.00 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.76 2a28 s TRP 36 CO 0.00 0.12 -0.16 0.99 0.02 0.00 0.00 176.95 177.92 2a28 s THR 37 N -0.74 2.94 -0.25 2.01 2.01 -0.33 -4.05 115.64 117.24 2a28 s THR 37 Ca 0.12 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 2a28 s THR 37 Cb -0.10 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 2a28 s THR 37 CO 0.01 0.48 0.16 -0.47 -0.69 0.00 0.00 174.62 174.11 2a28 s TYR 38 N -0.82 3.29 0.04 4.92 5.04 -0.34 -1.14 117.35 128.36 2a28 s TYR 38 Ca 0.13 0.19 -0.02 0.00 -2.44 0.00 0.00 57.07 54.93 2a28 s TYR 38 Cb -0.11 -2.28 0.01 0.00 0.35 0.00 0.00 41.96 39.93 2a28 s TYR 38 CO 0.03 0.01 0.10 0.41 -1.34 0.00 0.00 175.55 174.76 2a28 n GLY 39 N 4.43 1.80 2.90 8.97 0.00 -0.51 -0.73 105.19 122.05 2a28 n GLY 39 Ca -0.15 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 2a28 n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a28 s GLU 40 N -2.01 0.15 -0.22 1.61 4.04 -0.01 -1.39 118.70 120.87 2a28 s GLU 40 Ca 0.02 -0.05 -0.03 0.00 0.04 0.00 0.00 54.97 54.95 2a28 s GLU 40 Cb -0.01 -0.16 0.07 0.00 0.02 0.00 0.00 34.13 34.05 2a28 s GLU 40 CO 0.01 0.03 0.05 0.00 -1.84 0.00 0.00 175.26 173.52 2a28 n ASP 42 N 5.04 -6.27 0.00 0.00 8.00 -1.26 -1.46 116.55 120.60 2a28 n ASP 42 Ca -0.08 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2a28 n ASP 42 Cb 0.46 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.61 2a28 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a28 n GLY 43 N -1.93 2.82 3.65 0.44 0.00 -1.26 -5.02 105.19 103.89 2a28 n GLY 43 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2a28 n GLY 43 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a28 s LEU 44 N 0.00 4.11 -0.06 0.99 2.96 -0.53 -5.02 118.68 121.13 2a28 s LEU 44 Ca 0.00 1.56 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 2a28 s LEU 44 Cb 0.00 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 2a28 s LEU 44 CO 0.00 -0.81 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.27 2a28 s LYS 45 N 3.59 2.20 0.00 1.98 2.20 -1.26 -0.27 119.74 128.18 2a28 s LYS 45 Ca 0.54 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2a28 s LYS 45 Cb -0.20 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 2a28 s LYS 45 CO 0.15 0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 2a28 n GLY 46 N 3.29 -1.37 3.79 5.54 0.00 -0.49 -4.82 105.19 111.13 2a28 n GLY 46 Ca -0.19 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 2a28 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a28 s LEU 47 N 0.00 4.54 0.08 0.99 1.43 -0.03 -1.43 118.68 124.26 2a28 s LEU 47 Ca 0.00 1.51 -0.08 0.00 -1.03 0.00 0.00 54.13 54.53 2a28 s LEU 47 Cb 0.00 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 2a28 s LEU 47 CO 0.00 0.20 0.17 0.72 0.23 0.00 0.00 176.35 177.67 2a28 s PHE 48 N -1.19 0.18 -0.07 0.29 -0.12 -0.29 -1.16 117.98 115.63 2a28 s PHE 48 Ca 0.35 -0.61 -0.30 0.00 -0.05 0.00 0.00 56.93 56.32 2a28 s PHE 48 Cb -0.21 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 2a28 s PHE 48 CO 0.24 -0.51 1.25 -2.14 -0.05 0.00 0.00 175.22 174.00 2a28 s PRO 49 N -3.75 4.31 0.24 1.99 0.02 -1.26 -1.19 135.00 135.37 2a28 s PRO 49 Ca 0.04 1.71 -0.05 0.00 0.02 0.00 0.00 61.00 62.73 2a28 s PRO 49 Cb 0.05 -3.61 0.38 0.00 0.02 0.00 0.00 34.50 31.33 2a28 s PRO 49 CO -0.10 -0.53 1.82 1.15 -0.33 0.00 0.00 177.00 179.00 2a28 h THR 50 N 5.12 0.93 0.00 0.99 2.02 -1.58 -1.85 112.91 118.54 2a28 h THR 50 Ca -0.33 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2a28 h THR 50 Cb 1.15 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2a28 h THR 50 CO 0.91 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 175.40 2a28 n SER 51 N -4.73 0.00 -0.39 4.18 3.41 -1.26 -1.58 113.62 113.24 2a28 n SER 51 Ca 0.13 0.19 0.10 0.00 -0.26 0.00 0.00 58.87 59.04 2a28 n SER 51 Cb 0.26 -0.36 0.43 0.00 -0.26 0.00 0.00 64.21 64.28 2a28 n SER 51 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2a28 n TYR 52 N -1.36 0.15 -4.41 7.33 4.02 -0.69 -4.92 117.16 117.27 2a28 n TYR 52 Ca 0.07 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 2a28 n TYR 52 Cb 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.38 2a28 n TYR 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85