#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 1.25 0.37 4.61 0.00 -1.26 -0.64 121.76 126.08 2a28 s ALA 2 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.77 2a28 s ALA 2 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 2a28 s ALA 2 CO 0.00 -0.01 -0.00 -1.64 0.00 0.00 0.00 175.76 174.10 2a28 s MET 3 N -2.90 1.83 -0.06 0.00 1.00 0.17 -4.90 119.30 114.44 2a28 s MET 3 Ca 0.08 -2.01 0.02 0.00 0.00 0.00 0.00 55.69 53.78 2a28 s MET 3 Cb -0.03 -1.44 0.02 0.00 0.00 0.00 0.00 34.83 33.38 2a28 s MET 3 CO 0.01 -0.04 -0.10 -2.00 0.00 0.00 0.00 175.02 172.88 2a28 s GLU 4 N -3.73 1.51 0.39 2.03 2.12 0.11 0.07 118.70 121.20 2a28 s GLU 4 Ca 0.34 -0.34 -0.27 0.00 0.36 0.00 0.00 54.97 55.07 2a28 s GLU 4 Cb 0.08 -1.29 -0.09 0.00 0.26 0.00 0.00 34.13 33.08 2a28 s GLU 4 CO 0.17 -0.01 1.35 0.00 -0.54 0.00 0.00 175.26 176.23 2a28 s ALA 5 N 0.77 3.35 -0.05 6.30 0.00 0.12 -0.59 121.76 131.65 2a28 s ALA 5 Ca -0.13 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.16 2a28 s ALA 5 Cb -0.15 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 2a28 s ALA 5 CO 0.02 -0.88 0.20 0.44 0.00 0.00 0.00 175.76 175.54 2a28 n ILE 6 N 0.25 0.00 -4.07 0.00 -5.35 0.46 -0.91 119.36 109.74 2a28 n ILE 6 Ca 0.03 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.94 2a28 n ILE 6 Cb 0.42 1.01 -0.10 0.00 -1.74 0.00 0.00 39.64 39.23 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 -0.71 0.47 0.19 4.28 1.51 -0.93 -4.77 117.35 117.38 2a28 s TYR 7 Ca 0.00 -0.99 -0.25 0.00 -1.01 0.00 0.00 57.07 54.83 2a28 s TYR 7 Cb 0.01 -0.35 -0.08 0.00 -0.11 0.00 0.00 41.96 41.42 2a28 s TYR 7 CO 0.02 -0.37 0.79 0.00 -1.11 0.00 0.00 175.55 174.88 2a28 s ALA 8 N -3.66 3.42 -0.03 3.71 0.00 -1.26 -4.15 121.76 119.79 2a28 s ALA 8 Ca 0.05 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2a28 s ALA 8 Cb 0.06 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.23 2a28 s ALA 8 CO -0.09 0.29 -0.03 -0.47 0.00 0.00 0.00 175.76 175.45 2a28 s TYR 9 N -1.23 0.57 -0.25 0.00 5.04 0.31 -4.99 117.35 116.79 2a28 s TYR 9 Ca 0.38 -0.12 -0.13 0.00 -2.44 0.00 0.00 57.07 54.76 2a28 s TYR 9 Cb -0.22 -0.52 -0.04 0.00 0.35 0.00 0.00 41.96 41.53 2a28 s TYR 9 CO 0.26 -0.13 0.26 -2.00 -1.34 0.00 0.00 175.55 172.60 2a28 s GLU 10 N 0.73 4.03 0.44 4.97 2.12 -1.26 -1.40 118.70 128.34 2a28 s GLU 10 Ca -0.09 -0.13 -0.24 0.00 0.36 0.00 0.00 54.97 54.87 2a28 s GLU 10 Cb -0.12 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.57 2a28 s GLU 10 CO -0.00 -0.12 1.19 0.00 -0.54 0.00 0.00 175.26 175.79 2a28 n ALA 11 N 4.84 0.97 -3.79 6.30 0.00 -1.26 -4.93 120.51 122.64 2a28 n ALA 11 Ca -0.12 0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 2a28 n ALA 11 Cb 0.51 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.10 1.96 0.00 0.00 1.13 -1.26 -4.97 117.38 114.14 2a28 n GLN 12 Ca 0.08 -4.51 0.00 0.00 -1.94 0.00 0.00 57.00 50.63 2a28 n GLN 12 Cb 0.40 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.48 2a28 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a28 n GLY 13 N 1.73 3.07 0.18 1.08 0.00 -1.26 -4.79 105.19 105.20 2a28 n GLY 13 Ca 0.22 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.36 2a28 n GLY 13 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2a28 h ASP 14 N 0.00 0.00 -0.01 1.61 1.82 -2.01 -2.15 116.42 115.68 2a28 h ASP 14 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2a28 h ASP 14 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2a28 h ASP 14 CO 0.00 0.41 0.00 -0.90 -1.61 0.00 0.00 179.24 177.14 2a28 n ASP 15 N -3.90 0.29 -4.54 2.28 5.75 -1.26 -4.86 116.55 110.31 2a28 n ASP 15 Ca -0.01 -1.14 -0.25 0.00 -0.01 0.00 0.00 54.79 53.38 2a28 n ASP 15 Cb 0.46 -0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.46 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 -2.00 1.95 0.11 0.11 2.02 -0.81 -0.35 118.70 119.73 2a28 s GLU 16 Ca 0.44 -1.49 0.10 0.00 0.02 0.00 0.00 54.97 54.04 2a28 s GLU 16 Cb 0.21 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 2a28 s GLU 16 CO 0.35 0.38 -0.25 0.96 0.02 0.00 0.00 175.26 176.71 2a28 s ILE 17 N -2.11 2.35 0.23 -1.63 -4.36 -0.51 -4.68 121.20 110.49 2a28 s ILE 17 Ca 0.28 -1.62 -0.24 0.00 -0.26 0.00 0.00 60.65 58.81 2a28 s ILE 17 Cb -0.07 -2.02 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 2a28 s ILE 17 CO 0.16 0.16 0.82 -0.44 0.24 0.00 0.00 174.94 175.88 2a28 s SER 18 N -1.87 7.30 0.04 4.36 0.01 -1.26 -4.37 113.70 117.92 2a28 s SER 18 Ca 0.14 1.65 0.01 0.00 1.31 0.00 0.00 55.95 59.07 2a28 s SER 18 Cb -0.10 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2a28 s SER 18 CO 0.06 0.08 -0.06 0.27 0.41 0.00 0.00 173.24 174.00 2a28 s ILE 19 N -1.39 0.40 0.12 1.44 -4.36 -0.49 -4.95 121.20 111.97 2a28 s ILE 19 Ca 0.42 -1.22 0.08 0.00 -0.26 0.00 0.00 60.65 59.68 2a28 s ILE 19 Cb -0.20 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 2a28 s ILE 19 CO 0.25 -0.54 -0.20 -1.81 0.24 0.00 0.00 174.94 172.87 2a28 s ASP 20 N -1.87 2.57 0.13 4.36 1.01 -1.26 -0.53 116.67 121.08 2a28 s ASP 20 Ca -0.07 -0.73 -0.35 0.00 0.71 0.00 0.00 52.55 52.11 2a28 s ASP 20 Cb -0.06 -0.14 -0.16 0.00 1.01 0.00 0.00 42.92 43.56 2a28 s ASP 20 CO -0.02 0.03 1.25 -2.65 0.21 0.00 0.00 175.17 173.99 2a28 n PRO 21 N 0.88 1.14 -0.14 8.23 -0.02 -1.26 -1.49 135.00 142.34 2a28 n PRO 21 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2a28 n PRO 21 Cb 0.54 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.26 0.99 3.77 -1.23 0.00 -0.09 -4.97 105.19 105.93 2a28 n GLY 22 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.86 6.29 -0.18 1.61 1.01 -0.55 -4.72 116.67 117.27 2a28 s ASP 23 Ca 0.00 2.70 -0.09 0.00 0.71 0.00 0.00 52.55 55.87 2a28 s ASP 23 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 2a28 s ASP 23 CO 0.00 -0.87 0.12 -0.63 0.21 0.00 0.00 175.17 174.00 2a28 s ILE 24 N -1.24 5.32 -0.11 0.77 -1.09 -1.26 -0.70 121.20 122.88 2a28 s ILE 24 Ca 0.57 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 2a28 s ILE 24 Cb -0.39 -3.40 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2a28 s ILE 24 CO 0.50 0.48 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.94 2a28 s ILE 25 N 0.04 1.37 -0.04 2.92 1.01 0.11 -4.47 121.20 122.13 2a28 s ILE 25 Ca 0.09 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 2a28 s ILE 25 Cb -0.11 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2a28 s ILE 25 CO -0.00 0.42 1.29 -0.89 0.00 0.00 0.00 174.94 175.75 2a28 s THR 26 N 1.14 4.04 -0.16 2.92 2.01 0.66 0.42 115.64 126.67 2a28 s THR 26 Ca -0.04 1.38 -0.26 0.00 0.31 0.00 0.00 61.69 63.07 2a28 s THR 26 Cb -0.14 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2a28 s THR 26 CO -0.03 -0.01 0.88 -0.69 -0.69 0.00 0.00 174.62 174.08 2a28 s VAL 27 N 2.41 4.85 -0.24 3.82 1.01 0.18 -0.79 120.40 131.64 2a28 s VAL 27 Ca 0.59 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 64.30 2a28 s VAL 27 Cb -0.27 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 2a28 s VAL 27 CO 0.23 0.01 -0.24 -0.38 0.00 0.00 0.00 175.10 174.72 2a28 n ILE 28 N 4.74 1.39 -3.67 2.22 5.41 -0.09 -4.61 119.36 124.75 2a28 n ILE 28 Ca 0.06 -0.49 -0.20 0.00 1.00 0.00 0.00 62.75 63.11 2a28 n ILE 28 Cb 0.49 -1.46 -0.18 0.00 -0.71 0.00 0.00 39.64 37.78 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 -2.48 -0.05 0.73 0.38 3.52 -0.42 -5.02 118.95 115.61 2a28 s ARG 29 Ca -0.33 0.36 -0.12 0.00 -0.13 0.00 0.00 55.73 55.51 2a28 s ARG 29 Cb 0.10 -0.57 0.03 0.00 -1.56 0.00 0.00 34.95 32.95 2a28 s ARG 29 CO 0.53 -0.34 1.09 0.20 -0.81 0.00 0.00 175.30 175.97 2a28 s GLY 30 N 2.16 1.78 0.22 8.12 0.00 -1.26 -1.35 107.32 116.99 2a28 s GLY 30 Ca 0.05 0.29 -0.32 0.00 0.00 0.00 0.00 44.72 44.74 2a28 s GLY 30 CO -0.03 0.63 1.69 1.34 0.00 0.00 0.00 173.10 176.73 2a28 n ASP 31 N -3.20 3.91 -1.02 1.64 -0.08 -1.25 -4.80 116.55 111.75 2a28 n ASP 31 Ca 0.09 1.08 0.10 0.00 -1.51 0.00 0.00 54.79 54.55 2a28 n ASP 31 Cb 0.53 -1.57 0.20 0.00 2.34 0.00 0.00 41.12 42.62 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 3.59 3.28 0.00 1.67 5.75 -1.26 -4.89 116.55 124.69 2a28 n ASP 32 Ca 0.15 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 2a28 n ASP 32 Cb 0.35 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2a28 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a28 n GLY 33 N 1.27 1.60 0.13 6.12 0.00 -1.26 -4.99 105.19 108.06 2a28 n GLY 33 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 0.76 0.43 3.19 -0.77 0.00 -1.26 -5.08 105.19 102.46 2a28 n GLY 35 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 1.69 0.01 1.61 0.52 -1.26 -1.70 118.94 117.80 2a28 s TRP 36 Ca 0.00 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.83 2a28 s TRP 36 Cb 0.00 -1.08 -0.03 0.00 -1.15 0.00 0.00 33.47 31.21 2a28 s TRP 36 CO 0.00 -0.02 -0.04 0.99 0.02 0.00 0.00 176.95 177.90 2a28 s THR 37 N -0.47 3.83 -0.25 2.01 2.01 -0.24 -3.91 115.64 118.62 2a28 s THR 37 Ca 0.07 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 2a28 s THR 37 Cb -0.07 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2a28 s THR 37 CO -0.01 0.37 0.32 -0.47 -0.69 0.00 0.00 174.62 174.15 2a28 s TYR 38 N -1.04 3.28 0.03 4.92 5.04 -0.46 -1.15 117.35 127.97 2a28 s TYR 38 Ca 0.18 0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 55.19 2a28 s TYR 38 Cb -0.11 -2.49 0.00 0.00 0.35 0.00 0.00 41.96 39.71 2a28 s TYR 38 CO 0.09 -0.13 0.05 0.41 -1.34 0.00 0.00 175.55 174.63 2a28 n GLY 39 N 4.53 2.23 2.93 8.97 0.00 -0.46 -0.91 105.19 122.48 2a28 n GLY 39 Ca -0.10 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.02 1.20 -0.13 1.61 2.12 0.03 -1.23 118.70 120.28 2a28 s GLU 40 Ca 0.02 -0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.12 2a28 s GLU 40 Cb -0.00 -1.13 0.03 0.00 0.26 0.00 0.00 34.13 33.28 2a28 s GLU 40 CO 0.01 -0.08 -0.08 0.00 -0.54 0.00 0.00 175.26 174.58 2a28 n ASP 42 N 4.90 -2.42 0.00 0.00 2.03 -1.26 -1.28 116.55 118.52 2a28 n ASP 42 Ca -0.13 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.24 2a28 n ASP 42 Cb 0.49 -3.24 0.00 0.00 -0.72 0.00 0.00 41.12 37.65 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 -1.69 0.84 3.43 0.27 0.00 -1.26 -5.02 105.19 101.77 2a28 n GLY 43 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 3.22 -0.03 0.99 1.43 -0.40 -5.10 118.68 118.78 2a28 s LEU 44 Ca 0.00 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2a28 s LEU 44 Cb 0.00 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2a28 s LEU 44 CO 0.00 0.06 0.20 -0.54 0.23 0.00 0.00 176.35 176.29 2a28 s LYS 45 N 1.03 3.48 0.00 1.70 1.02 -1.26 -0.82 119.74 124.90 2a28 s LYS 45 Ca 0.02 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.78 2a28 s LYS 45 Cb -0.14 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2a28 s LYS 45 CO 0.01 0.69 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 2a28 n GLY 46 N 1.18 -2.17 3.79 -3.33 0.00 -0.37 -4.76 105.19 99.53 2a28 n GLY 46 Ca -0.13 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 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 4.52 0.02 0.99 1.43 0.53 -1.35 118.68 124.82 2a28 s LEU 47 Ca 0.00 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.68 2a28 s LEU 47 Cb 0.00 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 2a28 s LEU 47 CO 0.00 0.15 0.05 0.72 0.23 0.00 0.00 176.35 177.50 2a28 s PHE 48 N -1.27 0.20 -0.14 0.29 -0.12 -0.30 -1.42 117.98 115.23 2a28 s PHE 48 Ca 0.39 -0.46 -0.29 0.00 -0.05 0.00 0.00 56.93 56.52 2a28 s PHE 48 Cb -0.21 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 2a28 s PHE 48 CO 0.25 -0.28 1.28 -1.25 -0.05 0.00 0.00 175.22 175.17 2a28 s PRO 49 N -1.96 4.25 0.20 1.99 0.04 -1.26 -1.08 135.00 137.18 2a28 s PRO 49 Ca -0.11 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 2a28 s PRO 49 Cb -0.05 -3.74 0.23 0.00 0.04 0.00 0.00 34.50 30.98 2a28 s PRO 49 CO -0.02 -0.67 1.75 1.15 0.04 0.00 0.00 177.00 179.25 2a28 h THR 50 N 5.40 0.81 0.00 1.26 2.02 -1.66 -1.42 112.91 119.33 2a28 h THR 50 Ca -0.29 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2a28 h THR 50 Cb 1.12 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2a28 h THR 50 CO 0.95 0.07 0.00 -1.54 0.37 0.00 0.00 175.52 175.38 2a28 n SER 51 N -4.98 0.00 -0.42 4.18 3.41 -1.26 -1.47 113.62 113.07 2a28 n SER 51 Ca 0.07 0.14 0.09 0.00 -0.26 0.00 0.00 58.87 58.91 2a28 n SER 51 Cb 0.24 -0.32 0.36 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.32 0.20 -4.25 7.33 4.02 -0.53 -4.92 117.16 117.68 2a28 n TYR 52 Ca 0.07 -0.10 -0.14 0.00 -0.01 0.00 0.00 57.90 57.72 2a28 n TYR 52 Cb 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 2a28 n TYR 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85