#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 -3.96 2.52 -6.64 -1.26 -5.05 119.36 104.97 2pdd n ILE 2 Ca 0.00 -1.04 0.00 0.00 -1.77 0.00 0.00 62.75 59.94 2pdd n ILE 2 Cb 0.00 0.65 0.00 0.00 -1.44 0.00 0.00 39.64 38.85 2pdd n ILE 2 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2pdd n ALA 3 N -1.61 0.00 -2.22 -1.28 0.00 -1.26 -4.13 120.51 110.01 2pdd n ALA 3 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 2pdd n ALA 3 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 2pdd n ALA 3 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2pdd s MET 4 N -1.89 4.01 0.00 0.00 1.00 -1.26 -4.93 119.30 116.23 2pdd s MET 4 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 55.69 56.30 2pdd s MET 4 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 34.83 32.18 2pdd s MET 4 CO 0.00 0.29 0.44 -0.35 0.00 0.00 0.00 175.02 175.40 2pdd n PRO 5 N 0.09 0.43 0.00 2.03 -0.04 -1.26 -3.00 135.00 133.25 2pdd n PRO 5 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2pdd n PRO 5 Cb 0.52 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2pdd n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2pdd n SER 6 N 0.81 0.00 -0.02 3.54 7.64 -1.26 -4.81 113.62 119.52 2pdd n SER 6 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 2pdd n SER 6 Cb 0.22 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pdd h VAL 7 N 0.00 1.41 -0.61 0.44 2.07 -1.94 -3.14 116.25 114.48 2pdd h VAL 7 Ca 0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2pdd h VAL 7 Cb 0.00 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2pdd h VAL 7 CO 0.00 0.33 0.40 -0.09 0.02 0.00 0.00 177.57 178.23 2pdd h ARG 8 N -0.56 0.80 -0.57 1.57 2.43 -1.92 -2.26 114.38 113.88 2pdd h ARG 8 Ca -0.00 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2pdd h ARG 8 Cb 0.55 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 2pdd h ARG 8 CO 0.00 0.54 0.25 0.87 -1.51 0.00 0.00 179.97 180.12 2pdd h LYS 9 N 0.83 0.44 -0.52 0.20 1.79 -1.82 -0.88 116.57 116.62 2pdd h LYS 9 Ca 0.22 -0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.74 2pdd h LYS 9 Cb -0.09 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.40 2pdd h LYS 9 CO -0.05 0.29 0.17 -0.92 -1.08 0.00 0.00 179.45 177.87 2pdd h TYR 10 N 0.46 0.29 -0.73 -1.35 5.03 -1.36 -1.04 116.97 118.27 2pdd h TYR 10 Ca 0.27 0.03 0.16 0.00 2.58 0.00 0.00 58.73 61.77 2pdd h TYR 10 Cb 0.27 -0.05 -0.11 0.00 1.55 0.00 0.00 36.73 38.39 2pdd h TYR 10 CO -0.14 0.08 0.19 0.00 -1.32 0.00 0.00 178.16 176.97 2pdd h ALA 11 N 1.36 0.96 -0.69 1.82 0.00 -1.09 0.40 119.26 122.03 2pdd h ALA 11 Ca 0.25 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.35 2pdd h ALA 11 Cb 0.29 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2pdd h ALA 11 CO -0.27 -0.33 0.43 0.00 0.00 0.00 0.00 179.25 179.08 2pdd h ARG 12 N 0.29 0.82 -0.38 0.00 2.47 -0.72 0.20 114.38 117.05 2pdd h ARG 12 Ca 0.41 -0.05 0.08 0.00 -1.26 0.00 0.00 59.98 59.16 2pdd h ARG 12 Cb 0.70 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2pdd h ARG 12 CO -0.50 0.54 0.26 0.93 0.56 0.00 0.00 179.97 181.77 2pdd h GLU 13 N 0.84 0.16 -0.01 0.04 5.08 -0.54 -0.20 114.58 119.97 2pdd h GLU 13 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2pdd h GLU 13 Cb 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2pdd h GLU 13 CO -0.11 0.11 -0.56 1.63 -1.00 0.00 0.00 179.01 179.08 2pdd n LYS 14 N -4.46 0.69 -2.23 2.33 4.76 -0.51 -4.98 118.16 113.75 2pdd n LYS 14 Ca 0.05 -0.53 -0.04 0.00 -2.87 0.00 0.00 58.31 54.92 2pdd n LYS 14 Cb 0.33 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 2pdd n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pdd n GLY 15 N 1.43 0.27 2.84 0.72 0.00 0.54 -5.06 105.19 105.93 2pdd n GLY 15 Ca 0.08 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.10 0.32 -0.82 1.61 1.01 -0.35 -5.00 120.40 114.07 2pdd s VAL 16 Ca 0.05 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 2pdd s VAL 16 Cb -0.01 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 36.07 2pdd s VAL 16 CO 0.20 0.19 1.08 -0.62 0.00 0.00 0.00 175.10 175.94 2pdd s ASP 17 N 1.11 6.42 0.06 3.32 -1.08 -1.26 -4.18 116.67 121.05 2pdd s ASP 17 Ca -0.08 -1.54 0.03 0.00 -0.52 0.00 0.00 52.55 50.43 2pdd s ASP 17 Cb -0.14 -2.42 0.20 0.00 -1.46 0.00 0.00 42.92 39.11 2pdd s ASP 17 CO -0.01 -1.26 0.26 0.00 0.52 0.00 0.00 175.17 174.67 2pdd n ILE 18 N 5.78 -0.07 -0.25 4.11 3.06 -1.26 -0.42 119.36 130.31 2pdd n ILE 18 Ca 0.12 0.33 0.01 0.00 -2.50 0.00 0.00 62.75 60.71 2pdd n ILE 18 Cb 0.48 -0.53 0.08 0.00 0.54 0.00 0.00 39.64 40.20 2pdd n ILE 18 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 2pdd h ARG 19 N 0.00 -0.01 0.00 9.51 3.08 -1.91 0.15 114.38 125.20 2pdd h ARG 19 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2pdd h ARG 19 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2pdd h ARG 19 CO -0.13 -0.01 0.00 1.47 -1.07 0.00 0.00 179.97 180.23 2pdd n LEU 20 N -5.48 0.00 -4.78 3.04 -0.00 0.44 -4.83 117.00 105.38 2pdd n LEU 20 Ca 0.09 0.11 -0.36 0.00 -0.00 0.00 0.00 56.01 55.85 2pdd n LEU 20 Cb 0.37 -0.11 -0.04 0.00 -0.00 0.00 0.00 43.42 43.64 2pdd n LEU 20 CO 0.01 -0.02 0.74 -0.69 -0.00 0.00 0.00 177.39 177.43 2pdd s VAL 21 N -2.23 3.67 -0.43 1.47 1.01 0.52 -4.99 120.40 119.43 2pdd s VAL 21 Ca 0.34 1.26 0.10 0.00 0.00 0.00 0.00 61.98 63.68 2pdd s VAL 21 Cb 0.18 -3.64 0.32 0.00 0.00 0.00 0.00 36.38 33.23 2pdd s VAL 21 CO 0.34 -0.01 0.72 0.00 0.00 0.00 0.00 175.10 176.15 2pdd n GLN 22 N -0.16 1.40 0.00 2.72 6.02 -1.26 -4.64 117.38 121.46 2pdd n GLN 22 Ca 0.05 -3.68 0.00 0.00 -0.01 0.00 0.00 57.00 53.36 2pdd n GLN 22 Cb 0.50 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 0.48 0.96 0.12 1.08 0.00 -1.26 -4.89 105.19 101.68 2pdd n GLY 23 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 1.48 -1.69 2.61 1.35 -1.93 -3.44 112.91 111.29 2pdd h THR 24 Ca 0.00 -1.99 -0.13 0.00 -0.55 0.00 0.00 66.41 63.74 2pdd h THR 24 Cb 0.00 2.65 -0.28 0.00 -1.73 0.00 0.00 68.15 68.79 2pdd h THR 24 CO 0.00 0.56 -0.47 -0.83 -0.25 0.00 0.00 175.52 174.54 2pdd s GLY 25 N -3.98 -0.57 -1.12 5.82 0.00 -1.26 -5.04 107.32 101.16 2pdd s GLY 25 Ca -0.14 0.82 -0.13 0.00 0.00 0.00 0.00 44.72 45.27 2pdd s GLY 25 CO 0.78 2.91 2.25 0.58 0.00 0.00 0.00 173.10 179.62 2pdd n LYS 26 N 5.37 2.38 -0.68 2.90 2.85 -1.26 -3.43 118.16 126.29 2pdd n LYS 26 Ca -0.02 -1.92 0.00 0.00 -1.05 0.00 0.00 58.31 55.32 2pdd n LYS 26 Cb 0.50 -2.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.07 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 5.35 0.00 0.00 -5.58 6.94 -1.26 -4.96 115.26 115.75 2pdd n ASN 27 Ca 0.54 -0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 2pdd n ASN 27 Cb 0.27 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pdd n GLY 28 N 0.00 -0.29 2.05 4.83 0.00 -1.26 -0.83 105.19 109.70 2pdd n GLY 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.27 2.85 -1.87 1.61 5.12 -1.26 -4.93 116.66 116.91 2pdd n ARG 29 Ca 0.00 -3.55 -0.31 0.00 -1.93 0.00 0.00 57.85 52.05 2pdd n ARG 29 Cb 0.14 -2.21 0.02 0.00 -1.16 0.00 0.00 32.46 29.25 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 -4.42 4.35 0.52 1.55 1.01 -0.01 -4.47 120.40 118.92 2pdd s VAL 30 Ca 0.57 0.85 0.04 0.00 0.00 0.00 0.00 61.98 63.44 2pdd s VAL 30 Cb 0.46 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2pdd s VAL 30 CO 0.02 -0.91 0.24 -0.76 0.00 0.00 0.00 175.10 173.69 2pdd s LEU 31 N -5.06 2.61 0.05 3.92 1.02 -1.26 -5.02 118.68 114.95 2pdd s LEU 31 Ca 0.58 -1.36 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 2pdd s LEU 31 Cb -0.12 -1.07 -0.28 0.00 0.02 0.00 0.00 46.19 44.74 2pdd s LEU 31 CO 0.49 -0.96 1.12 0.50 0.02 0.00 0.00 176.35 177.52 2pdd h LYS 32 N 1.03 0.64 0.00 1.70 1.63 -1.97 -2.96 116.57 116.63 2pdd h LYS 32 Ca -0.40 -0.80 0.00 0.00 -0.85 0.00 0.00 60.65 58.60 2pdd h LYS 32 Cb 1.30 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 2pdd h LYS 32 CO 0.64 1.36 0.00 0.39 -3.45 0.00 0.00 179.45 178.39 2pdd n GLU 33 N -3.83 0.42 0.17 1.90 -0.58 -1.26 -3.10 120.64 114.36 2pdd n GLU 33 Ca -0.13 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.53 2pdd n GLU 33 Cb 0.95 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.35 0.22 1.62 1.82 -1.83 -2.75 116.42 115.15 2pdd h ASP 34 Ca 0.00 -0.14 -0.23 0.00 -0.39 0.00 0.00 57.03 56.27 2pdd h ASP 34 Cb 0.15 0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.26 2pdd h ASP 34 CO 0.00 -0.05 -0.93 0.40 -1.61 0.00 0.00 179.24 177.04 2pdd h ILE 35 N -0.66 1.36 -0.98 2.25 2.04 -1.45 -3.06 117.51 117.01 2pdd h ILE 35 Ca -0.04 -2.34 0.23 0.00 1.00 0.00 0.00 64.86 63.71 2pdd h ILE 35 Cb 0.46 2.35 -0.12 0.00 -0.74 0.00 0.00 36.82 38.77 2pdd h ILE 35 CO 0.07 0.71 0.56 -0.78 0.00 0.00 0.00 178.15 178.71 2pdd h ASP 36 N 0.30 0.64 0.11 1.72 3.58 -1.55 0.45 116.42 121.66 2pdd h ASP 36 Ca -0.08 0.13 -0.17 0.00 0.42 0.00 0.00 57.03 57.33 2pdd h ASP 36 Cb 1.57 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.65 2pdd h ASP 36 CO 0.17 0.12 -0.61 0.00 -2.88 0.00 0.00 179.24 176.04 2pdd h ALA 37 N 1.71 0.67 -0.44 -0.78 0.00 -1.46 -2.08 119.26 116.88 2pdd h ALA 37 Ca 0.62 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pdd h ALA 37 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2pdd h ALA 37 CO -0.47 0.71 0.00 0.34 0.00 0.00 0.00 179.25 179.83 2pdd n PHE 38 N -3.92 0.00 0.09 0.00 7.35 0.16 -3.74 117.46 117.40 2pdd n PHE 38 Ca -0.04 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.61 2pdd n PHE 38 Cb 0.63 -0.43 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 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 -0.23 0.00 -2.13 5.85 -1.64 -3.47 115.31 113.69 2pdd h LEU 39 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2pdd h LEU 39 Cb 0.00 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2pdd h LEU 39 CO 0.00 -0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.06 2pdd n ALA 40 N -2.33 0.00 0.16 1.25 0.00 -0.78 -4.85 120.51 113.96 2pdd n ALA 40 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2pdd n ALA 40 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 -1.34 2.25 0.00 0.00 -1.26 -5.10 105.19 99.74 2pdd n GLY 41 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 2pdd n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdd n GLY 42 N -1.20 -1.77 0.00 -0.02 0.00 -1.26 -5.25 105.19 95.69 2pdd n GLY 42 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 46.02 46.59 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32