#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 0.53 0.26 4.61 0.00 -1.26 -0.95 121.76 124.95 2a28 s ALA 2 Ca 0.00 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.95 2a28 s ALA 2 Cb 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2a28 s ALA 2 CO 0.00 -0.28 -0.10 -1.64 0.00 0.00 0.00 175.76 173.74 2a28 s MET 3 N -3.27 1.51 -0.10 0.00 1.00 0.02 -4.91 119.30 113.56 2a28 s MET 3 Ca 0.02 -1.74 0.02 0.00 0.00 0.00 0.00 55.69 54.00 2a28 s MET 3 Cb 0.03 -1.22 0.01 0.00 0.00 0.00 0.00 34.83 33.65 2a28 s MET 3 CO -0.07 0.11 -0.16 -2.00 0.00 0.00 0.00 175.02 172.90 2a28 s GLU 4 N -3.68 2.27 0.33 2.03 2.12 0.27 -0.55 118.70 121.47 2a28 s GLU 4 Ca 0.28 -0.59 -0.27 0.00 0.36 0.00 0.00 54.97 54.74 2a28 s GLU 4 Cb 0.02 -1.86 -0.09 0.00 0.26 0.00 0.00 34.13 32.46 2a28 s GLU 4 CO 0.11 0.01 1.08 0.00 -0.54 0.00 0.00 175.26 175.92 2a28 s ALA 5 N 0.77 3.28 -0.09 6.30 0.00 -0.14 -0.23 121.76 131.66 2a28 s ALA 5 Ca -0.11 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2a28 s ALA 5 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2a28 s ALA 5 CO 0.02 -0.19 0.08 0.44 0.00 0.00 0.00 175.76 176.11 2a28 n ILE 6 N 0.71 0.00 -4.03 0.00 -5.35 0.10 -0.57 119.36 110.22 2a28 n ILE 6 Ca 0.01 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 61.94 2a28 n ILE 6 Cb 0.46 1.00 -0.11 0.00 -1.74 0.00 0.00 39.64 39.25 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 -1.18 0.47 0.21 4.28 2.02 -1.05 -4.77 117.35 117.33 2a28 s TYR 7 Ca 0.01 -0.62 -0.30 0.00 -0.37 0.00 0.00 57.07 55.79 2a28 s TYR 7 Cb 0.01 -0.31 -0.08 0.00 -0.40 0.00 0.00 41.96 41.19 2a28 s TYR 7 CO 0.08 -0.18 1.04 0.00 -1.57 0.00 0.00 175.55 174.92 2a28 s ALA 8 N -1.92 3.35 -0.04 3.71 0.00 -1.26 -4.14 121.76 121.46 2a28 s ALA 8 Ca -0.09 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2a28 s ALA 8 Cb -0.06 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.77 2a28 s ALA 8 CO -0.02 -0.06 -0.08 -0.47 0.00 0.00 0.00 175.76 175.13 2a28 s TYR 9 N -0.66 0.95 -0.26 0.00 5.04 -0.30 -4.99 117.35 117.14 2a28 s TYR 9 Ca 0.46 -0.28 -0.09 0.00 -2.44 0.00 0.00 57.07 54.72 2a28 s TYR 9 Cb -0.28 -0.73 -0.04 0.00 0.35 0.00 0.00 41.96 41.26 2a28 s TYR 9 CO 0.35 -0.16 0.12 -2.00 -1.34 0.00 0.00 175.55 172.52 2a28 s GLU 10 N 0.53 3.80 0.40 4.97 2.12 -1.26 -1.32 118.70 127.94 2a28 s GLU 10 Ca -0.08 -0.40 -0.25 0.00 0.36 0.00 0.00 54.97 54.59 2a28 s GLU 10 Cb -0.12 -3.46 -0.11 0.00 0.26 0.00 0.00 34.13 30.70 2a28 s GLU 10 CO 0.01 -0.15 1.04 0.00 -0.54 0.00 0.00 175.26 175.61 2a28 n ALA 11 N 4.88 0.24 0.16 6.30 0.00 -1.26 -4.93 120.51 125.90 2a28 n ALA 11 Ca -0.15 0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.57 2a28 n ALA 11 Cb 0.52 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 17.91 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 0.25 0.34 -3.80 0.00 1.13 -1.26 -4.97 117.38 109.07 2a28 n GLN 12 Ca 0.09 -0.99 -0.04 0.00 -1.94 0.00 0.00 57.00 54.12 2a28 n GLN 12 Cb 0.38 -1.10 -0.00 0.00 0.11 0.00 0.00 30.24 29.63 2a28 n GLN 12 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2a28 s GLY 13 N -0.54 -0.06 0.05 1.08 0.00 -1.26 -5.02 107.32 101.57 2a28 s GLY 13 Ca 0.07 -0.11 0.20 0.00 0.00 0.00 0.00 44.72 44.87 2a28 s GLY 13 CO 0.07 0.73 1.62 1.22 0.00 0.00 0.00 173.10 176.73 2a28 n ASP 14 N -0.79 0.15 -0.45 1.64 8.00 -1.26 -1.98 116.55 121.86 2a28 n ASP 14 Ca -0.05 0.53 0.14 0.00 0.71 0.00 0.00 54.79 56.12 2a28 n ASP 14 Cb 0.60 -0.57 0.54 0.00 -0.02 0.00 0.00 41.12 41.67 2a28 n ASP 14 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2a28 n ASP 15 N -1.66 1.40 -4.69 -2.24 8.00 -1.26 -4.89 116.55 111.20 2a28 n ASP 15 Ca 0.04 -1.49 -0.24 0.00 0.71 0.00 0.00 54.79 53.81 2a28 n ASP 15 Cb 0.23 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 2a28 n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2a28 s GLU 16 N -1.98 2.49 0.06 -1.24 2.02 -0.84 -0.61 118.70 118.60 2a28 s GLU 16 Ca 0.38 -1.22 0.06 0.00 0.02 0.00 0.00 54.97 54.21 2a28 s GLU 16 Cb 0.21 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2a28 s GLU 16 CO 0.33 0.41 -0.10 0.96 0.02 0.00 0.00 175.26 176.87 2a28 s ILE 17 N -2.06 3.35 0.34 -1.63 -4.36 -0.38 -4.72 121.20 111.73 2a28 s ILE 17 Ca 0.30 -1.11 -0.25 0.00 -0.26 0.00 0.00 60.65 59.34 2a28 s ILE 17 Cb -0.08 -2.51 -0.10 0.00 1.25 0.00 0.00 42.46 41.03 2a28 s ILE 17 CO 0.21 0.24 0.93 -0.44 0.24 0.00 0.00 174.94 176.12 2a28 s SER 18 N -1.83 7.24 0.04 4.36 0.01 -1.26 -4.28 113.70 117.98 2a28 s SER 18 Ca 0.19 1.79 0.02 0.00 1.31 0.00 0.00 55.95 59.25 2a28 s SER 18 Cb -0.11 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 2a28 s SER 18 CO 0.10 -0.12 -0.07 0.27 0.41 0.00 0.00 173.24 173.83 2a28 s ILE 19 N -1.73 0.48 0.15 1.44 -4.36 -0.43 -4.96 121.20 111.78 2a28 s ILE 19 Ca 0.52 -1.02 0.10 0.00 -0.26 0.00 0.00 60.65 60.00 2a28 s ILE 19 Cb -0.17 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.95 2a28 s ILE 19 CO 0.21 -0.37 -0.23 -1.81 0.24 0.00 0.00 174.94 172.98 2a28 s ASP 20 N -1.49 3.03 0.17 4.36 1.01 -1.26 -1.15 116.67 121.35 2a28 s ASP 20 Ca -0.10 -0.79 -0.33 0.00 0.71 0.00 0.00 52.55 52.04 2a28 s ASP 20 Cb -0.10 -0.20 -0.16 0.00 1.01 0.00 0.00 42.92 43.48 2a28 s ASP 20 CO 0.00 0.09 1.12 -2.65 0.21 0.00 0.00 175.17 173.94 2a28 n PRO 21 N 0.62 1.08 0.00 8.23 -0.02 -1.26 -1.56 135.00 142.09 2a28 n PRO 21 Ca -0.16 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2a28 n PRO 21 Cb 0.55 -1.85 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 1.95 1.98 3.77 -1.23 0.00 0.27 -4.96 105.19 106.97 2a28 n GLY 22 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2a28 n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a28 s ASP 23 N -3.03 6.07 -0.20 1.61 1.01 -0.60 -4.73 116.67 116.80 2a28 s ASP 23 Ca 0.00 2.98 -0.09 0.00 0.71 0.00 0.00 52.55 56.15 2a28 s ASP 23 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2a28 s ASP 23 CO 0.00 -1.05 0.10 -0.63 0.21 0.00 0.00 175.17 173.80 2a28 s ILE 24 N -1.17 5.14 -0.15 0.77 -1.09 -1.26 -0.96 121.20 122.48 2a28 s ILE 24 Ca 0.57 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.09 2a28 s ILE 24 Cb -0.45 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2a28 s ILE 24 CO 0.59 0.44 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.96 2a28 s ILE 25 N 0.42 1.64 0.05 2.92 1.09 0.28 -4.31 121.20 123.30 2a28 s ILE 25 Ca 0.06 -0.68 -0.31 0.00 -1.10 0.00 0.00 60.65 58.62 2a28 s ILE 25 Cb -0.12 -1.53 -0.06 0.00 -1.06 0.00 0.00 42.46 39.69 2a28 s ILE 25 CO -0.01 0.47 1.36 -0.89 -0.10 0.00 0.00 174.94 175.77 2a28 s THR 26 N 1.39 3.62 -0.08 2.92 2.01 0.12 -0.80 115.64 124.83 2a28 s THR 26 Ca 0.03 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 2a28 s THR 26 Cb -0.13 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2a28 s THR 26 CO -0.10 0.05 0.95 -0.69 -0.69 0.00 0.00 174.62 174.14 2a28 s VAL 27 N 1.66 4.84 -0.21 3.82 1.01 -0.12 -1.15 120.40 130.24 2a28 s VAL 27 Ca 0.63 1.95 -0.03 0.00 0.00 0.00 0.00 61.98 64.54 2a28 s VAL 27 Cb -0.33 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.65 2a28 s VAL 27 CO 0.28 0.07 -0.22 -0.38 0.00 0.00 0.00 175.10 174.86 2a28 n ILE 28 N 4.31 1.21 -3.68 2.22 5.41 0.33 -4.52 119.36 124.64 2a28 n ILE 28 Ca 0.07 -0.41 -0.21 0.00 1.00 0.00 0.00 62.75 63.20 2a28 n ILE 28 Cb 0.50 -1.43 -0.18 0.00 -0.71 0.00 0.00 39.64 37.81 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 -2.42 -0.00 0.71 0.38 3.52 -0.45 -5.01 118.95 115.68 2a28 s ARG 29 Ca -0.29 0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.51 2a28 s ARG 29 Cb 0.09 -0.62 0.03 0.00 -1.56 0.00 0.00 34.95 32.89 2a28 s ARG 29 CO 0.45 -0.34 1.10 0.20 -0.81 0.00 0.00 175.30 175.90 2a28 s GLY 30 N 2.15 1.91 0.22 8.12 0.00 -1.26 -1.18 107.32 117.27 2a28 s GLY 30 Ca 0.05 0.39 -0.32 0.00 0.00 0.00 0.00 44.72 44.84 2a28 s GLY 30 CO -0.03 0.74 1.54 1.34 0.00 0.00 0.00 173.10 176.68 2a28 n ASP 31 N -2.97 3.26 -0.89 1.64 -0.08 -1.26 -4.82 116.55 111.43 2a28 n ASP 31 Ca 0.10 1.11 0.12 0.00 -1.51 0.00 0.00 54.79 54.61 2a28 n ASP 31 Cb 0.53 -1.48 0.27 0.00 2.34 0.00 0.00 41.12 42.77 2a28 n ASP 31 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2a28 n ASP 32 N 2.78 2.70 0.00 1.67 5.68 -1.26 -4.88 116.55 123.23 2a28 n ASP 32 Ca 0.13 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 2a28 n ASP 32 Cb 0.32 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2a28 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a28 n GLY 33 N 1.34 1.86 0.25 6.12 0.00 -1.26 -4.97 105.19 108.53 2a28 n GLY 33 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.98 -3.46 113.55 114.36 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 0.25 0.74 3.25 -0.77 0.00 -1.26 -5.07 105.19 102.34 2a28 n GLY 35 Ca 0.01 0.00 -0.29 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 -2.37 2.11 -0.03 1.61 0.52 -1.26 -1.45 118.94 118.07 2a28 s TRP 36 Ca 0.00 -0.46 0.03 0.00 0.02 0.00 0.00 56.10 55.69 2a28 s TRP 36 Cb 0.00 -1.37 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 2a28 s TRP 36 CO 0.00 -0.08 -0.09 0.99 0.02 0.00 0.00 176.95 177.79 2a28 s THR 37 N -0.43 3.46 -0.18 2.01 2.01 -0.15 -4.06 115.64 118.30 2a28 s THR 37 Ca 0.06 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 2a28 s THR 37 Cb -0.10 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2a28 s THR 37 CO 0.00 0.49 0.25 -0.47 -0.69 0.00 0.00 174.62 174.20 2a28 s TYR 38 N -0.88 3.43 0.00 4.92 5.04 -0.33 -0.86 117.35 128.67 2a28 s TYR 38 Ca 0.14 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 2a28 s TYR 38 Cb -0.11 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 39.89 2a28 s TYR 38 CO 0.04 0.21 0.00 0.41 -1.34 0.00 0.00 175.55 174.87 2a28 n GLY 39 N 3.55 2.20 2.92 8.97 0.00 -0.47 -0.52 105.19 121.84 2a28 n GLY 39 Ca -0.13 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 2a28 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a28 s GLU 40 N -0.95 1.45 -0.16 1.61 2.12 -0.30 -0.97 118.70 121.50 2a28 s GLU 40 Ca 0.00 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.08 2a28 s GLU 40 Cb 0.00 -1.45 0.02 0.00 0.26 0.00 0.00 34.13 32.96 2a28 s GLU 40 CO 0.00 -0.19 -0.16 0.00 -0.54 0.00 0.00 175.26 174.37 2a28 n ASP 42 N 4.71 -0.85 0.00 0.00 2.03 -1.26 -1.46 116.55 119.72 2a28 n ASP 42 Ca -0.18 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.05 2a28 n ASP 42 Cb 0.50 -2.63 0.00 0.00 -0.72 0.00 0.00 41.12 38.27 2a28 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a28 n GLY 43 N -1.93 1.05 3.40 0.27 0.00 -1.26 -5.03 105.19 101.69 2a28 n GLY 43 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2a28 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a28 s LEU 44 N 0.00 2.74 -0.08 0.99 1.43 -0.53 -5.12 118.68 118.11 2a28 s LEU 44 Ca 0.00 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2a28 s LEU 44 Cb 0.00 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2a28 s LEU 44 CO 0.00 0.21 0.07 -0.54 0.23 0.00 0.00 176.35 176.32 2a28 s LYS 45 N 0.07 3.16 0.00 1.70 1.02 -1.26 -1.00 119.74 123.43 2a28 s LYS 45 Ca -0.05 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2a28 s LYS 45 Cb -0.15 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2a28 s LYS 45 CO 0.04 0.72 0.00 0.41 -0.92 0.00 0.00 175.35 175.60 2a28 n GLY 46 N 1.89 -1.72 3.78 -3.33 0.00 -0.14 -4.70 105.19 100.97 2a28 n GLY 46 Ca -0.18 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 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 4.50 0.04 0.99 1.43 0.22 -1.37 118.68 124.48 2a28 s LEU 47 Ca 0.00 1.70 -0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2a28 s LEU 47 Cb 0.00 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2a28 s LEU 47 CO 0.00 0.11 -0.03 0.72 0.23 0.00 0.00 176.35 177.37 2a28 s PHE 48 N -1.33 0.41 -0.16 0.29 -0.12 -0.04 -1.25 117.98 115.78 2a28 s PHE 48 Ca 0.41 -0.75 -0.29 0.00 -0.05 0.00 0.00 56.93 56.25 2a28 s PHE 48 Cb -0.21 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 41.87 2a28 s PHE 48 CO 0.26 -0.25 1.28 -1.25 -0.05 0.00 0.00 175.22 175.20 2a28 s PRO 49 N -2.48 4.23 0.25 1.99 0.04 -1.26 -0.98 135.00 136.79 2a28 s PRO 49 Ca -0.06 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.62 2a28 s PRO 49 Cb -0.03 -3.77 0.36 0.00 0.04 0.00 0.00 34.50 31.11 2a28 s PRO 49 CO -0.04 -0.71 1.85 1.15 0.04 0.00 0.00 177.00 179.29 2a28 h THR 50 N 5.48 1.02 0.00 1.26 2.02 -1.58 -1.58 112.91 119.54 2a28 h THR 50 Ca -0.27 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2a28 h THR 50 Cb 1.11 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2a28 h THR 50 CO 0.97 0.18 0.00 -1.54 0.37 0.00 0.00 175.52 175.49 2a28 n SER 51 N -4.62 0.01 -0.11 4.18 3.41 -1.26 -1.51 113.62 113.71 2a28 n SER 51 Ca 0.13 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 2a28 n SER 51 Cb 0.20 -0.50 0.66 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.51 0.02 -4.34 7.33 4.02 -0.59 -4.91 117.16 117.18 2a28 n TYR 52 Ca 0.04 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 2a28 n TYR 52 Cb 0.19 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.41 2a28 n TYR 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85