#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ILE 2 N 0.00 0.00 -4.22 1.34 -6.64 -1.26 -4.32 119.36 104.27 2pdd n ILE 2 Ca 0.00 -0.68 -0.23 0.00 -1.77 0.00 0.00 62.75 60.07 2pdd n ILE 2 Cb 0.00 -1.61 -0.07 0.00 -1.44 0.00 0.00 39.64 36.52 2pdd n ILE 2 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2pdd s ALA 3 N -3.87 3.31 0.54 -1.28 0.00 -1.26 -4.92 121.76 114.28 2pdd s ALA 3 Ca 0.48 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 2pdd s ALA 3 Cb -0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 2pdd s ALA 3 CO 0.34 0.16 1.14 -1.64 0.00 0.00 0.00 175.76 175.75 2pdd s MET 4 N -3.75 3.34 -0.88 0.00 -1.94 -1.26 -4.83 119.30 109.97 2pdd s MET 4 Ca 0.34 1.64 -0.26 0.00 -1.71 0.00 0.00 55.69 55.70 2pdd s MET 4 Cb -0.04 -2.01 -0.23 0.00 2.01 0.00 0.00 34.83 34.56 2pdd s MET 4 CO 0.21 -0.87 1.96 -0.35 -0.01 0.00 0.00 175.02 175.97 2pdd n PRO 5 N -1.29 0.53 0.00 2.03 -0.04 -1.26 -2.28 135.00 132.68 2pdd n PRO 5 Ca 0.12 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 2pdd n PRO 5 Cb 0.51 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 2pdd n PRO 5 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pdd n SER 6 N 15.77 0.00 -0.03 3.54 3.41 -1.26 -4.95 113.62 130.09 2pdd n SER 6 Ca 0.44 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.04 2pdd n SER 6 Cb 0.45 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pdd h VAL 7 N 0.00 0.00 -0.34 -3.33 2.07 -1.82 -3.19 116.25 109.64 2pdd h VAL 7 Ca 0.00 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2pdd h VAL 7 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2pdd h VAL 7 CO 0.00 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 177.68 2pdd h ARG 8 N -0.61 0.46 -0.90 1.57 2.43 -1.93 -1.93 114.38 113.47 2pdd h ARG 8 Ca 0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2pdd h ARG 8 Cb 0.09 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2pdd h ARG 8 CO 0.00 0.34 0.59 0.87 -1.51 0.00 0.00 179.97 180.27 2pdd h LYS 9 N 0.46 1.16 -0.30 0.20 1.79 -1.88 -1.91 116.57 116.10 2pdd h LYS 9 Ca 0.12 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 2pdd h LYS 9 Cb 0.03 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.39 2pdd h LYS 9 CO -0.02 0.77 0.14 -0.92 -1.08 0.00 0.00 179.45 178.34 2pdd h TYR 10 N 1.20 0.27 -0.73 -1.35 5.03 -1.34 -2.00 116.97 118.04 2pdd h TYR 10 Ca 0.33 0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.82 2pdd h TYR 10 Cb -0.11 -0.08 -0.11 0.00 1.55 0.00 0.00 36.73 37.98 2pdd h TYR 10 CO -0.01 0.14 0.15 0.00 -1.32 0.00 0.00 178.16 177.12 2pdd h ALA 11 N 1.16 0.92 -0.52 1.82 0.00 -1.24 0.32 119.26 121.72 2pdd h ALA 11 Ca 0.12 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.25 2pdd h ALA 11 Cb 0.05 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2pdd h ALA 11 CO -0.09 -0.36 0.28 0.00 0.00 0.00 0.00 179.25 179.08 2pdd h ARG 12 N 0.24 0.52 -0.74 0.00 3.08 -0.98 0.53 114.38 117.03 2pdd h ARG 12 Ca 0.41 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.55 2pdd h ARG 12 Cb 0.71 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 2pdd h ARG 12 CO -0.53 0.35 0.35 0.93 -1.07 0.00 0.00 179.97 180.00 2pdd h GLU 13 N 0.54 0.54 0.00 0.04 4.39 -0.55 -0.29 114.58 119.26 2pdd h GLU 13 Ca 0.23 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 2pdd h GLU 13 Cb 0.11 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2pdd h GLU 13 CO -0.14 0.36 -0.40 0.87 -1.16 0.00 0.00 179.01 178.53 2pdd h LYS 14 N 0.56 0.00 0.00 2.33 1.79 -0.96 -3.47 116.57 116.82 2pdd h LYS 14 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2pdd h LYS 14 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2pdd h LYS 14 CO -0.32 0.25 0.00 0.41 -1.08 0.00 0.00 179.45 178.71 2pdd n GLY 15 N 1.18 0.59 3.77 3.86 0.00 0.18 -5.03 105.19 109.74 2pdd n GLY 15 Ca 0.02 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2pdd n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pdd s VAL 16 N -2.00 4.38 -0.67 1.61 1.01 -0.86 -4.98 120.40 118.89 2pdd s VAL 16 Ca 0.00 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.45 2pdd s VAL 16 Cb 0.00 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.28 2pdd s VAL 16 CO 0.00 0.51 1.08 -0.62 0.00 0.00 0.00 175.10 176.07 2pdd s ASP 17 N -1.05 6.20 0.36 3.32 -1.08 -1.26 -4.56 116.67 118.60 2pdd s ASP 17 Ca 0.36 -0.67 0.21 0.00 -0.52 0.00 0.00 52.55 51.93 2pdd s ASP 17 Cb -0.23 -2.48 1.32 0.00 -1.46 0.00 0.00 42.92 40.07 2pdd s ASP 17 CO 0.26 -1.56 1.52 0.00 0.52 0.00 0.00 175.17 175.92 2pdd n ILE 18 N 6.15 -0.39 0.06 4.11 3.06 -1.26 -1.01 119.36 130.08 2pdd n ILE 18 Ca -0.00 1.94 -0.12 0.00 -2.50 0.00 0.00 62.75 62.06 2pdd n ILE 18 Cb 0.47 -3.15 -0.07 0.00 0.54 0.00 0.00 39.64 37.43 2pdd n ILE 18 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2pdd h ARG 19 N 0.00 -0.50 -0.79 9.51 1.12 -1.90 -1.15 114.38 120.66 2pdd h ARG 19 Ca 0.82 0.03 0.23 0.00 -1.11 0.00 0.00 59.98 59.96 2pdd h ARG 19 Cb 2.23 0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 32.28 2pdd h ARG 19 CO -0.71 -0.34 0.64 -0.07 -3.11 0.00 0.00 179.97 176.39 2pdd h LEU 20 N -0.52 0.00 -9.97 3.80 3.38 -1.49 -3.41 115.31 107.10 2pdd h LEU 20 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2pdd h LEU 20 Cb 0.55 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.41 2pdd h LEU 20 CO -0.25 0.00 0.75 -0.69 0.09 0.00 0.00 178.44 178.34 2pdd s VAL 21 N -4.83 2.04 -0.44 1.22 1.01 -0.44 -4.96 120.40 114.00 2pdd s VAL 21 Ca -0.05 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.06 2pdd s VAL 21 Cb 0.19 -3.02 0.30 0.00 0.00 0.00 0.00 36.38 33.85 2pdd s VAL 21 CO 0.69 0.01 0.70 0.00 0.00 0.00 0.00 175.10 176.49 2pdd n GLN 22 N 0.14 1.44 0.00 2.72 6.02 -1.26 -4.78 117.38 121.66 2pdd n GLN 22 Ca 0.03 -3.73 0.00 0.00 -0.01 0.00 0.00 57.00 53.29 2pdd n GLN 22 Cb 0.40 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pdd n GLY 23 N 0.63 1.10 0.01 1.08 0.00 -1.26 -4.98 105.19 101.77 2pdd n GLY 23 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 2pdd n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pdd h THR 24 N 0.00 0.00 -3.56 2.61 1.35 -1.95 -3.44 112.91 107.93 2pdd h THR 24 Ca 0.00 -0.19 -0.68 0.00 -0.55 0.00 0.00 66.41 64.99 2pdd h THR 24 Cb 0.00 0.00 -0.36 0.00 -1.73 0.00 0.00 68.15 66.06 2pdd h THR 24 CO 0.00 0.00 -0.61 -0.83 -0.25 0.00 0.00 175.52 173.83 2pdd s GLY 25 N -2.37 1.97 -0.09 5.82 0.00 -1.26 -4.98 107.32 106.41 2pdd s GLY 25 Ca -0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 44.72 42.14 2pdd s GLY 25 CO 0.01 0.99 2.99 0.58 0.00 0.00 0.00 173.10 177.67 2pdd n LYS 26 N 4.48 1.70 0.00 2.90 2.85 -1.26 -2.55 118.16 126.28 2pdd n LYS 26 Ca -0.00 -0.88 0.00 0.00 -1.05 0.00 0.00 58.31 56.38 2pdd n LYS 26 Cb 0.42 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2pdd n ASN 27 N 2.68 0.00 0.00 -5.58 0.23 -1.26 -4.95 115.26 106.38 2pdd n ASN 27 Ca 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.42 2pdd n ASN 27 Cb 0.70 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pdd n GLY 28 N 0.00 -0.26 2.09 4.83 0.00 -1.26 -0.98 105.19 109.60 2pdd n GLY 28 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2pdd n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pdd n ARG 29 N -1.23 3.13 -2.11 1.61 5.12 -1.26 -4.59 116.66 117.33 2pdd n ARG 29 Ca 0.00 -3.75 -0.32 0.00 -1.93 0.00 0.00 57.85 51.85 2pdd n ARG 29 Cb 0.12 -2.25 -0.00 0.00 -1.16 0.00 0.00 32.46 29.17 2pdd n ARG 29 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pdd s VAL 30 N -4.59 4.13 0.50 1.55 1.01 -0.15 -4.02 120.40 118.83 2pdd s VAL 30 Ca 0.56 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.57 2pdd s VAL 30 Cb 0.45 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2pdd s VAL 30 CO 0.02 -0.64 0.38 -0.76 0.00 0.00 0.00 175.10 174.09 2pdd s LEU 31 N -4.49 2.93 0.12 3.92 1.43 -1.26 -5.00 118.68 116.32 2pdd s LEU 31 Ca 0.61 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2pdd s LEU 31 Cb -0.13 -1.43 -0.15 0.00 0.03 0.00 0.00 46.19 44.50 2pdd s LEU 31 CO 0.38 -0.93 1.26 0.50 0.23 0.00 0.00 176.35 177.79 2pdd h LYS 32 N 0.89 0.21 0.00 1.70 3.64 -1.95 -2.92 116.57 118.15 2pdd h LYS 32 Ca -0.38 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 2pdd h LYS 32 Cb 1.29 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2pdd h LYS 32 CO 0.59 1.08 0.00 0.39 -2.27 0.00 0.00 179.45 179.23 2pdd n GLU 33 N -3.57 0.48 0.27 1.90 -0.58 -1.26 -2.99 120.64 114.90 2pdd n GLU 33 Ca -0.05 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.57 2pdd n GLU 33 Cb 0.91 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.22 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2pdd h ASP 34 N 0.00 -0.62 0.42 1.62 1.82 -1.81 -2.97 116.42 114.88 2pdd h ASP 34 Ca 0.00 -0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.48 2pdd h ASP 34 Cb 0.24 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2pdd h ASP 34 CO 0.00 -0.23 -0.53 0.40 -1.61 0.00 0.00 179.24 177.27 2pdd h ILE 35 N -1.10 1.37 -0.94 2.25 2.04 -1.49 -2.98 117.51 116.66 2pdd h ILE 35 Ca -0.07 -1.82 0.16 0.00 1.00 0.00 0.00 64.86 64.13 2pdd h ILE 35 Cb 0.62 1.94 -0.10 0.00 -0.74 0.00 0.00 36.82 38.53 2pdd h ILE 35 CO 0.12 0.53 0.54 -0.78 0.00 0.00 0.00 178.15 178.57 2pdd h ASP 36 N 0.10 0.70 0.38 1.72 1.82 -1.54 0.13 116.42 119.72 2pdd h ASP 36 Ca -0.00 0.09 -0.17 0.00 -0.39 0.00 0.00 57.03 56.56 2pdd h ASP 36 Cb 0.97 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 2pdd h ASP 36 CO 0.08 0.28 -0.70 0.00 -1.61 0.00 0.00 179.24 177.28 2pdd h ALA 37 N 1.60 0.71 -0.37 -0.78 0.00 -1.37 -2.81 119.26 116.24 2pdd h ALA 37 Ca 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pdd h ALA 37 Cb 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pdd h ALA 37 CO -0.36 0.78 0.00 0.34 0.00 0.00 0.00 179.25 180.01 2pdd n PHE 38 N -3.81 0.00 0.28 0.00 7.35 0.44 -3.32 117.46 118.39 2pdd n PHE 38 Ca -0.03 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.52 2pdd n PHE 38 Cb 0.68 -0.44 -0.07 0.00 0.35 0.00 0.00 39.48 40.01 2pdd n PHE 38 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2pdd h LEU 39 N 0.00 -0.62 -8.20 -2.13 5.85 -1.67 -3.41 115.31 105.12 2pdd h LEU 39 Ca 0.00 -0.04 -0.51 0.00 0.84 0.00 0.00 57.88 58.17 2pdd h LEU 39 Cb 0.00 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 2pdd h LEU 39 CO 0.00 -0.24 1.69 0.00 -0.34 0.00 0.00 178.44 179.54 2pdd n ALA 40 N -2.63 0.47 0.85 1.25 0.00 -1.06 -4.71 120.51 114.68 2pdd n ALA 40 Ca -0.11 -0.44 0.01 0.00 0.00 0.00 0.00 53.44 52.90 2pdd n ALA 40 Cb 0.32 -2.55 0.04 0.00 0.00 0.00 0.00 19.45 17.26 2pdd n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pdd n GLY 41 N 6.41 1.58 3.89 0.00 0.00 -1.26 -4.76 105.19 111.05 2pdd n GLY 41 Ca 0.56 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 2pdd n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pdd s GLY 42 N -0.10 1.62 0.00 -0.02 0.00 -1.26 -5.21 107.32 102.35 2pdd s GLY 42 Ca 0.05 -0.44 0.31 0.00 0.00 0.00 0.00 44.72 44.63 2pdd s GLY 42 CO 0.02 -0.09 2.16 0.00 0.00 0.00 0.00 173.10 175.19