#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bx9 h VAL 2 N 0.00 0.96 -3.69 3.17 2.07 -2.09 -3.40 116.25 113.26 2bx9 h VAL 2 Ca 0.00 -0.33 -0.68 0.00 0.82 0.00 0.00 66.70 66.51 2bx9 h VAL 2 Cb 0.00 1.17 -0.34 0.00 -1.52 0.00 0.00 31.29 30.59 2bx9 h VAL 2 CO 0.00 0.08 -0.67 -0.63 0.02 0.00 0.00 177.57 176.37 2bx9 s ILE 3 N -5.54 2.97 0.61 4.57 1.01 -1.26 -5.08 121.20 118.48 2bx9 s ILE 3 Ca -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 58.86 2bx9 s ILE 3 Cb 0.04 -2.83 0.07 0.00 0.01 0.00 0.00 42.46 39.74 2bx9 s ILE 3 CO 0.64 -0.30 0.86 0.00 0.00 0.00 0.00 174.94 176.14 2bx9 s ALA 4 N 1.19 3.82 0.20 9.38 0.00 -1.26 -4.97 121.76 130.11 2bx9 s ALA 4 Ca -0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 2bx9 s ALA 4 Cb -0.20 -2.07 0.15 0.00 0.00 0.00 0.00 23.12 21.00 2bx9 s ALA 4 CO -0.03 -1.00 1.86 1.15 0.00 0.00 0.00 175.76 177.74 2bx9 h THR 5 N -0.15 1.14 0.00 0.00 2.02 -1.99 -1.59 112.91 112.34 2bx9 h THR 5 Ca -0.40 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2bx9 h THR 5 Cb 1.29 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2bx9 h THR 5 CO 0.49 0.16 0.00 0.47 0.37 0.00 0.00 175.52 177.01 2bx9 n ASP 6 N -4.63 0.52 0.09 4.18 9.92 -1.26 -0.27 116.55 125.10 2bx9 n ASP 6 Ca 0.06 0.71 0.12 0.00 -0.53 0.00 0.00 54.79 55.16 2bx9 n ASP 6 Cb 0.04 -0.79 0.25 0.00 -0.64 0.00 0.00 41.12 39.98 2bx9 n ASP 6 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2bx9 h ASP 7 N 0.00 0.00 0.00 -2.24 3.45 -1.66 -3.39 116.42 112.58 2bx9 h ASP 7 Ca 0.00 -0.10 -0.29 0.00 0.43 0.00 0.00 57.03 57.06 2bx9 h ASP 7 Cb 0.10 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.82 2bx9 h ASP 7 CO 0.00 0.05 -2.11 0.18 -1.57 0.00 0.00 179.24 175.79 2bx9 n LEU 8 N -2.29 2.49 -4.00 1.55 4.77 0.63 -4.29 117.00 115.87 2bx9 n LEU 8 Ca 0.04 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 2bx9 n LEU 8 Cb 0.45 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 2bx9 n LEU 8 CO 0.34 0.76 -0.38 -1.61 -1.33 0.00 0.00 177.39 175.17 2bx9 s GLU 9 N -2.39 0.38 -0.18 3.23 2.02 -0.12 -1.54 118.70 120.10 2bx9 s GLU 9 Ca -0.23 -0.54 -0.12 0.00 0.02 0.00 0.00 54.97 54.09 2bx9 s GLU 9 Cb 0.06 -0.14 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 2bx9 s GLU 9 CO 0.48 0.02 0.24 0.08 0.02 0.00 0.00 175.26 176.10 2bx9 s VAL 10 N -1.06 5.34 0.04 2.63 1.01 0.26 -4.33 120.40 124.29 2bx9 s VAL 10 Ca -0.09 0.41 -0.32 0.00 0.00 0.00 0.00 61.98 61.98 2bx9 s VAL 10 Cb -0.08 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 2bx9 s VAL 10 CO -0.00 0.39 1.84 0.00 0.00 0.00 0.00 175.10 177.33 2bx9 n ALA 11 N 3.66 1.49 -1.63 5.51 0.00 -1.26 -0.78 120.51 127.50 2bx9 n ALA 11 Ca -0.13 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2bx9 n ALA 11 Cb 0.52 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 2bx9 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bx9 h PRO 13 N 13.83 0.00 -0.07 0.00 0.13 -1.90 -2.42 132.00 141.57 2bx9 h PRO 13 Ca -0.43 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.48 2bx9 h PRO 13 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bx9 h PRO 13 CO 0.96 0.00 -0.83 -0.22 -0.23 0.00 0.00 178.00 177.68 2bx9 h LYS 14 N 0.00 0.53 -0.10 0.86 3.64 -1.96 -3.34 116.57 116.20 2bx9 h LYS 14 Ca 0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2bx9 h LYS 14 Cb 0.51 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2bx9 h LYS 14 CO 0.00 1.11 0.00 0.00 -2.27 0.00 0.00 179.45 178.29 2bx9 n GLU 16 N -0.02 -5.48 -0.91 0.00 1.02 -0.92 -2.03 120.64 112.30 2bx9 n GLU 16 Ca 0.04 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2bx9 n GLU 16 Cb 0.26 -5.49 0.00 0.00 -0.02 0.00 0.00 31.44 26.19 2bx9 n GLU 16 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2bx9 n ARG 17 N -4.66 0.00 0.09 3.49 0.63 -1.20 -4.92 116.66 110.10 2bx9 n ARG 17 Ca 0.04 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.91 2bx9 n ARG 17 Cb 0.53 -2.46 -0.00 0.00 0.45 0.00 0.00 32.46 30.97 2bx9 n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bx9 h ALA 18 N 0.00 0.57 0.00 5.13 0.00 -1.68 -3.42 119.26 119.85 2bx9 h ALA 18 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2bx9 h ALA 18 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2bx9 h ALA 18 CO 0.00 0.99 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2bx9 n GLY 19 N 0.89 1.77 2.82 0.00 0.00 -1.26 -4.84 105.19 104.58 2bx9 n GLY 19 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2bx9 n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bx9 s GLU 20 N -0.09 0.17 -0.22 1.61 2.12 -1.26 -1.16 118.70 119.87 2bx9 s GLU 20 Ca 0.00 0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.37 2bx9 s GLU 20 Cb 0.00 -0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 2bx9 s GLU 20 CO 0.00 -0.12 -0.03 0.96 -0.54 0.00 0.00 175.26 175.54 2bx9 s ILE 21 N 0.85 3.54 -1.44 -3.70 -4.36 0.23 -4.77 121.20 111.56 2bx9 s ILE 21 Ca -0.08 -0.44 -0.08 0.00 -0.26 0.00 0.00 60.65 59.79 2bx9 s ILE 21 Cb -0.11 -2.61 0.01 0.00 1.25 0.00 0.00 42.46 40.99 2bx9 s ILE 21 CO -0.02 0.42 0.26 -0.62 0.24 0.00 0.00 174.94 175.21 2bx9 n GLU 22 N 4.72 -1.31 0.00 0.37 -0.58 -1.26 0.21 120.64 122.78 2bx9 n GLU 22 Ca -0.18 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2bx9 n GLU 22 Cb 0.51 -3.60 0.00 0.00 -0.57 0.00 0.00 31.44 27.78 2bx9 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bx9 n GLY 23 N -2.33 3.04 3.78 0.62 0.00 -1.26 -5.00 105.19 104.04 2bx9 n GLY 23 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2bx9 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bx9 s THR 24 N -1.50 5.01 -0.09 2.61 2.01 0.13 -5.03 115.64 118.77 2bx9 s THR 24 Ca 0.00 1.01 -0.35 0.00 0.31 0.00 0.00 61.69 62.67 2bx9 s THR 24 Cb 0.00 -3.82 -0.12 0.00 0.01 0.00 0.00 72.50 68.57 2bx9 s THR 24 CO 0.00 0.46 1.84 -2.65 -0.69 0.00 0.00 174.62 173.58 2bx9 n PRO 25 N 2.57 2.06 -2.30 4.92 -0.02 -1.26 0.77 135.00 141.74 2bx9 n PRO 25 Ca -0.10 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2bx9 n PRO 25 Cb 0.52 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 2bx9 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bx9 n PRO 27 N 4.60 0.05 0.02 0.00 -0.04 -1.26 -1.67 135.00 136.71 2bx9 n PRO 27 Ca 0.11 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2bx9 n PRO 27 Cb 0.44 -1.56 0.16 0.00 -0.04 0.00 0.00 33.50 32.50 2bx9 n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bx9 n ALA 28 N -1.56 3.39 0.00 0.55 0.00 -1.26 -4.33 120.51 117.30 2bx9 n ALA 28 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2bx9 n ALA 28 Cb 0.35 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2bx9 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bx9 n SER 30 N -0.29 -3.41 0.00 0.00 7.64 -0.67 -3.56 113.62 113.34 2bx9 n SER 30 Ca 0.00 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.53 2bx9 n SER 30 Cb 0.00 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 2bx9 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bx9 n GLY 31 N -1.24 2.03 0.22 0.23 0.00 -1.22 -4.79 105.19 100.43 2bx9 n GLY 31 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 2bx9 n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bx9 h LYS 32 N 0.60 0.46 0.00 1.61 1.57 -1.85 -3.41 116.57 115.55 2bx9 h LYS 32 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2bx9 h LYS 32 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2bx9 h LYS 32 CO 0.00 0.74 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 2bx9 n GLY 33 N -0.20 0.75 3.49 3.86 0.00 -1.26 -4.86 105.19 106.97 2bx9 n GLY 33 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2bx9 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bx9 s VAL 34 N -2.93 -0.00 -0.07 1.61 1.01 -1.26 -2.02 120.40 116.74 2bx9 s VAL 34 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2bx9 s VAL 34 Cb 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2bx9 s VAL 34 CO 0.00 0.00 -0.20 -0.63 0.00 0.00 0.00 175.10 174.27 2bx9 s ILE 35 N 0.53 2.50 0.28 2.22 1.01 0.04 -4.86 121.20 122.93 2bx9 s ILE 35 Ca -0.02 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 2bx9 s ILE 35 Cb -0.05 -1.96 -0.09 0.00 0.01 0.00 0.00 42.46 40.37 2bx9 s ILE 35 CO -0.02 0.57 1.03 -0.76 0.00 0.00 0.00 174.94 175.75 2bx9 s LEU 36 N -0.17 4.53 0.67 2.97 1.43 -1.26 0.93 118.68 127.78 2bx9 s LEU 36 Ca -0.02 2.10 -0.07 0.00 -1.03 0.00 0.00 54.13 55.11 2bx9 s LEU 36 Cb -0.14 -3.71 0.04 0.00 0.03 0.00 0.00 46.19 42.42 2bx9 s LEU 36 CO 0.04 -0.07 0.99 0.42 0.23 0.00 0.00 176.35 177.96 2bx9 s THR 37 N -1.25 2.70 0.27 5.49 -4.23 -0.59 -4.86 115.64 113.17 2bx9 s THR 37 Ca 0.45 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 2bx9 s THR 37 Cb -0.28 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 70.66 2bx9 s THR 37 CO 0.35 -0.16 1.73 0.00 -0.54 0.00 0.00 174.62 176.01 2bx9 h ALA 38 N -0.49 1.25 -0.66 3.99 0.00 -1.89 -1.18 119.26 120.28 2bx9 h ALA 38 Ca -0.45 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2bx9 h ALA 38 Cb 1.30 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2bx9 h ALA 38 CO 0.61 -0.20 0.26 0.37 0.00 0.00 0.00 179.25 180.29 2bx9 h GLN 39 N 0.50 0.98 -0.42 0.00 5.75 -1.90 -2.12 115.11 117.91 2bx9 h GLN 39 Ca 0.48 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.65 2bx9 h GLN 39 Cb 0.76 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 2bx9 h GLN 39 CO -0.43 0.82 -0.32 0.78 -2.65 0.00 0.00 178.83 177.04 2bx9 h GLY 40 N 0.93 1.04 1.02 2.39 0.00 -1.49 -2.53 103.07 104.43 2bx9 h GLY 40 Ca 0.22 -1.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 2bx9 h GLY 40 CO -0.02 0.92 0.46 -0.97 0.00 0.00 0.00 176.54 176.93 2bx9 h TYR 41 N 0.79 1.17 0.43 5.60 0.99 -1.17 -1.63 116.97 123.15 2bx9 h TYR 41 Ca 0.08 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 2bx9 h TYR 41 Cb 0.91 -0.37 -0.00 0.00 1.00 0.00 0.00 36.73 38.27 2bx9 h TYR 41 CO 0.06 0.81 -0.25 1.15 -0.00 0.00 0.00 178.16 179.93 2bx9 h THR 42 N 1.18 0.47 -0.33 -2.88 2.02 -1.14 0.39 112.91 112.62 2bx9 h THR 42 Ca 0.30 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.50 2bx9 h THR 42 Cb 0.03 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2bx9 h THR 42 CO -0.05 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 175.94 2bx9 h LEU 43 N -0.65 0.25 -0.21 2.58 3.38 -1.45 -0.43 115.31 118.78 2bx9 h LEU 43 Ca -0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2bx9 h LEU 43 Cb 0.53 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2bx9 h LEU 43 CO 0.05 0.19 -0.01 0.25 0.09 0.00 0.00 178.44 179.01 2bx9 h LEU 44 N 0.35 0.38 -0.89 1.67 6.46 -1.19 -1.15 115.31 120.94 2bx9 h LEU 44 Ca 0.13 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 2bx9 h LEU 44 Cb 0.04 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 2bx9 h LEU 44 CO -0.09 0.61 0.58 0.44 -0.62 0.00 0.00 178.44 179.36 2bx9 h ASP 45 N 0.14 1.04 -0.24 1.25 5.19 -0.16 0.29 116.42 123.93 2bx9 h ASP 45 Ca 0.06 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2bx9 h ASP 45 Cb 0.42 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2bx9 h ASP 45 CO 0.01 0.77 0.11 0.15 -3.12 0.00 0.00 179.24 177.16 2bx9 h PHE 46 N 1.22 0.34 -0.41 4.55 3.57 -0.77 0.16 116.94 125.60 2bx9 h PHE 46 Ca 0.33 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 2bx9 h PHE 46 Cb -0.12 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2bx9 h PHE 46 CO -0.01 0.34 -0.06 0.82 -2.23 0.00 0.00 178.31 177.17 2bx9 h ILE 47 N 0.25 1.27 -0.60 1.41 1.08 -1.05 -2.14 117.51 117.73 2bx9 h ILE 47 Ca 0.08 -1.13 0.12 0.00 -0.39 0.00 0.00 64.86 63.54 2bx9 h ILE 47 Cb 0.13 1.17 -0.12 0.00 -3.07 0.00 0.00 36.82 34.93 2bx9 h ILE 47 CO -0.01 0.38 -0.21 1.56 -0.69 0.00 0.00 178.15 179.18 2bx9 h GLN 48 N 0.59 -0.06 -0.39 2.37 1.08 -0.23 0.45 115.11 118.92 2bx9 h GLN 48 Ca 0.11 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.16 2bx9 h GLN 48 Cb 0.57 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2bx9 h GLN 48 CO 0.03 -0.04 -0.37 0.87 -0.95 0.00 0.00 178.83 178.38 2bx9 h LYS 49 N -0.06 0.94 0.00 1.46 1.57 -0.79 -3.36 116.57 116.33 2bx9 h LYS 49 Ca 0.28 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2bx9 h LYS 49 Cb 0.49 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2bx9 h LYS 49 CO -0.65 1.15 -1.44 0.72 -0.57 0.00 0.00 179.45 178.66 2bx9 n HIS 50 N -4.07 0.00 -2.21 -1.35 8.25 -0.82 -4.98 115.22 110.03 2bx9 n HIS 50 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 2bx9 n HIS 50 Cb 0.54 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 2bx9 n HIS 50 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2bx9 s LEU 51 N -3.71 4.43 -0.79 2.41 2.96 0.14 -3.72 118.68 120.39 2bx9 s LEU 51 Ca -0.03 2.45 -0.00 0.00 -0.22 0.00 0.00 54.13 56.33 2bx9 s LEU 51 Cb 0.10 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 2bx9 s LEU 51 CO 0.63 -0.51 0.65 0.59 -1.32 0.00 0.00 176.35 176.39 2bx9 n ASN 52 N 2.24 -6.25 0.00 3.68 3.02 -1.26 -4.98 115.26 111.70 2bx9 n ASN 52 Ca 0.05 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2bx9 n ASN 52 Cb 0.43 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 2bx9 n ASN 52 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93