#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 -3.91 1.55 2.08 -1.26 -3.47 119.36 114.35 2pdd n ILE 2 Ca 0.00 -0.28 -0.38 0.00 0.56 0.00 0.00 62.75 62.66 2pdd n ILE 2 Cb 0.00 -0.64 0.02 0.00 -0.75 0.00 0.00 39.64 38.27 2pdd n ILE 2 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pdd n ALA 3 N -4.24 -2.49 0.00 -1.39 0.00 -1.26 -4.91 120.51 106.22 2pdd n ALA 3 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2pdd n ALA 3 Cb 0.59 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 17.00 2pdd n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pdd n MET 4 N -4.61 3.22 -0.04 0.00 0.00 -1.23 -2.87 117.12 111.61 2pdd n MET 4 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.45 2pdd n MET 4 Cb 0.59 -0.63 -0.06 0.00 0.00 0.00 0.00 33.22 33.12 2pdd n MET 4 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2pdd h PRO 5 N 0.00 0.23 0.00 3.17 0.13 -1.90 -3.42 132.00 130.20 2pdd h PRO 5 Ca 0.00 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 2pdd h PRO 5 Cb 0.00 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.01 2pdd h PRO 5 CO 0.00 0.47 -0.22 0.45 -0.23 0.00 0.00 178.00 178.47 2pdd n SER 6 N -4.78 -0.77 0.00 1.44 2.88 -1.26 -4.96 113.62 106.17 2pdd n SER 6 Ca -0.06 -1.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.96 2pdd n SER 6 Cb 0.21 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2pdd n VAL 7 N -0.05 0.00 0.17 2.46 0.31 -1.26 -4.17 118.33 115.79 2pdd n VAL 7 Ca -0.21 0.17 0.03 0.00 -0.01 0.00 0.00 64.34 64.31 2pdd n VAL 7 Cb 0.60 -1.16 0.38 0.00 -0.91 0.00 0.00 33.84 32.75 2pdd n VAL 7 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2pdd h ARG 8 N 0.00 0.09 -0.87 5.55 2.43 -1.87 -2.49 114.38 117.23 2pdd h ARG 8 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2pdd h ARG 8 Cb 0.00 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2pdd h ARG 8 CO 0.00 0.36 0.43 0.87 -1.51 0.00 0.00 179.97 180.12 2pdd h LYS 9 N 0.08 1.24 -0.38 0.20 1.79 -1.83 -2.28 116.57 115.38 2pdd h LYS 9 Ca 0.01 -0.18 0.03 0.00 -2.18 0.00 0.00 60.65 58.34 2pdd h LYS 9 Cb 0.52 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2pdd h LYS 9 CO 0.04 0.94 0.18 -0.92 -1.08 0.00 0.00 179.45 178.61 2pdd h TYR 10 N 1.23 0.34 -0.76 -1.35 5.03 -1.61 -1.91 116.97 117.94 2pdd h TYR 10 Ca 0.30 0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.79 2pdd h TYR 10 Cb 0.10 -0.10 -0.11 0.00 1.55 0.00 0.00 36.73 38.17 2pdd h TYR 10 CO 0.01 0.17 0.22 0.00 -1.32 0.00 0.00 178.16 177.25 2pdd h ALA 11 N 1.21 1.03 -0.58 1.82 0.00 -1.35 0.23 119.26 121.62 2pdd h ALA 11 Ca 0.16 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2pdd h ALA 11 Cb 0.08 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2pdd h ALA 11 CO -0.12 -0.33 0.35 0.00 0.00 0.00 0.00 179.25 179.15 2pdd h ARG 12 N 0.30 0.67 -0.12 0.00 3.08 -1.11 0.48 114.38 117.68 2pdd h ARG 12 Ca 0.44 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.49 2pdd h ARG 12 Cb 0.75 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 2pdd h ARG 12 CO -0.51 0.44 -0.15 0.93 -1.07 0.00 0.00 179.97 179.61 2pdd h GLU 13 N 0.69 -0.19 -0.03 0.04 5.08 -0.65 0.34 114.58 119.86 2pdd h GLU 13 Ca 0.24 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2pdd h GLU 13 Cb 0.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2pdd h GLU 13 CO -0.11 -0.12 0.00 1.63 -1.00 0.00 0.00 179.01 179.41 2pdd n LYS 14 N -5.30 1.11 -3.07 2.33 4.76 -1.01 -4.93 118.16 112.05 2pdd n LYS 14 Ca -0.03 -0.17 -0.10 0.00 -2.87 0.00 0.00 58.31 55.15 2pdd n LYS 14 Cb 0.21 -1.22 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 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 0.75 -1.14 2.95 0.72 0.00 0.11 -5.03 105.19 103.56 2pdd n GLY 15 Ca 0.10 0.91 -0.14 0.00 0.00 0.00 0.00 46.02 46.89 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 -2.67 -0.14 -0.46 1.61 1.01 -0.31 -5.00 120.40 114.44 2pdd s VAL 16 Ca 0.15 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 2pdd s VAL 16 Cb -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2pdd s VAL 16 CO 0.78 0.09 1.47 -0.62 0.00 0.00 0.00 175.10 176.83 2pdd s ASP 17 N 1.62 6.17 0.34 3.32 -1.08 -1.26 -4.46 116.67 121.31 2pdd s ASP 17 Ca -0.05 0.67 0.15 0.00 -0.52 0.00 0.00 52.55 52.79 2pdd s ASP 17 Cb -0.11 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 39.92 2pdd s ASP 17 CO -0.07 -1.60 1.63 -0.29 0.52 0.00 0.00 175.17 175.36 2pdd h ILE 18 N 6.49 0.18 0.05 4.11 2.10 -1.95 0.19 117.51 128.68 2pdd h ILE 18 Ca -0.28 -0.06 0.02 0.00 1.08 0.00 0.00 64.86 65.63 2pdd h ILE 18 Cb 1.11 -0.02 -0.04 0.00 -1.09 0.00 0.00 36.82 36.78 2pdd h ILE 18 CO 1.12 0.03 -0.25 0.03 -1.08 0.00 0.00 178.15 178.00 2pdd h ARG 19 N 0.18 -0.40 -0.94 2.19 3.08 -1.89 -1.99 114.38 114.61 2pdd h ARG 19 Ca 0.75 0.03 0.20 0.00 0.07 0.00 0.00 59.98 61.02 2pdd h ARG 19 Cb 1.78 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.84 2pdd h ARG 19 CO -0.69 -0.27 0.61 -0.07 -1.07 0.00 0.00 179.97 178.48 2pdd h LEU 20 N -0.41 0.53 -9.82 3.04 3.38 -1.35 -3.42 115.31 107.26 2pdd h LEU 20 Ca 0.05 0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.51 2pdd h LEU 20 Cb 0.47 -0.04 0.12 0.00 0.09 0.00 0.00 40.66 41.30 2pdd h LEU 20 CO -0.18 0.21 0.47 0.52 0.09 0.00 0.00 178.44 179.55 2pdd n VAL 21 N -4.58 2.58 -3.14 1.22 0.31 -0.75 -4.95 118.33 109.01 2pdd n VAL 21 Ca 0.21 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.85 2pdd n VAL 21 Cb 0.66 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 32.02 2pdd n VAL 21 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2pdd n GLN 22 N 0.02 0.92 0.00 5.55 7.27 -1.26 -4.47 117.38 125.41 2pdd n GLN 22 Ca 0.07 -3.19 0.00 0.00 0.07 0.00 0.00 57.00 53.94 2pdd n GLN 22 Cb 0.40 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.50 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pdd n GLY 23 N 0.55 1.30 0.12 1.69 0.00 -1.26 -4.86 105.19 102.73 2pdd n GLY 23 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 1.46 -2.17 2.61 1.35 -1.95 -3.45 112.91 110.76 2pdd h THR 24 Ca 0.00 -1.90 0.02 0.00 -0.55 0.00 0.00 66.41 63.98 2pdd h THR 24 Cb 0.00 2.54 -0.22 0.00 -1.73 0.00 0.00 68.15 68.74 2pdd h THR 24 CO 0.00 0.54 -0.20 -0.83 -0.25 0.00 0.00 175.52 174.78 2pdd s GLY 25 N -3.91 -0.61 0.00 5.82 0.00 -1.23 -5.03 107.32 102.37 2pdd s GLY 25 Ca -0.14 2.09 -0.03 0.00 0.00 0.00 0.00 44.72 46.63 2pdd s GLY 25 CO 0.78 2.82 2.72 0.58 0.00 0.00 0.00 173.10 179.99 2pdd n LYS 26 N 5.36 1.44 0.00 2.90 2.85 -1.26 -2.81 118.16 126.64 2pdd n LYS 26 Ca -0.12 -0.44 0.00 0.00 -1.05 0.00 0.00 58.31 56.70 2pdd n LYS 26 Cb 0.50 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 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 1.94 0.00 0.05 -5.58 0.23 -1.26 -4.81 115.26 105.83 2pdd n ASN 27 Ca 0.19 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.26 2pdd n ASN 27 Cb 0.68 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.48 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 -0.35 2.11 4.83 0.00 -1.26 -0.33 105.19 110.18 2pdd n GLY 28 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.49 2.35 -3.04 1.61 5.12 -1.26 -4.92 116.66 115.04 2pdd n ARG 29 Ca -0.00 -3.15 -0.40 0.00 -1.93 0.00 0.00 57.85 52.38 2pdd n ARG 29 Cb 0.28 -2.16 -0.05 0.00 -1.16 0.00 0.00 32.46 29.36 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 -3.72 4.70 0.48 1.55 1.01 0.56 -3.51 120.40 121.46 2pdd s VAL 30 Ca 0.57 1.56 0.08 0.00 0.00 0.00 0.00 61.98 64.19 2pdd s VAL 30 Cb 0.48 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.81 2pdd s VAL 30 CO 0.06 0.41 0.55 -0.76 0.00 0.00 0.00 175.10 175.37 2pdd s LEU 31 N -0.32 3.28 0.14 3.92 1.02 -1.26 -5.00 118.68 120.46 2pdd s LEU 31 Ca 0.36 -0.76 -0.08 0.00 0.02 0.00 0.00 54.13 53.68 2pdd s LEU 31 Cb -0.20 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 2pdd s LEU 31 CO 0.22 -0.95 1.39 0.50 0.02 0.00 0.00 176.35 177.54 2pdd h LYS 32 N 0.63 0.65 0.00 1.70 3.64 -1.95 -2.51 116.57 118.74 2pdd h LYS 32 Ca -0.37 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.52 2pdd h LYS 32 Cb 1.28 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2pdd h LYS 32 CO 0.49 1.11 0.00 -0.85 -2.27 0.00 0.00 179.45 177.93 2pdd n GLU 33 N -3.92 0.06 0.28 1.90 -0.00 -1.26 -2.37 120.64 115.33 2pdd n GLU 33 Ca -0.05 0.13 -0.14 0.00 -0.00 0.00 0.00 57.16 57.10 2pdd n GLU 33 Cb 0.69 -1.50 -0.07 0.00 -0.00 0.00 0.00 31.44 30.56 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2pdd h ASP 34 N 0.00 -0.63 0.05 -1.84 1.82 -1.78 -3.00 116.42 111.05 2pdd h ASP 34 Ca 0.00 -0.04 -0.18 0.00 -0.39 0.00 0.00 57.03 56.42 2pdd h ASP 34 Cb 0.33 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 2pdd h ASP 34 CO 0.00 -0.25 -0.66 0.40 -1.61 0.00 0.00 179.24 177.11 2pdd h ILE 35 N -1.09 1.33 -0.96 2.25 2.04 -1.50 -3.08 117.51 116.50 2pdd h ILE 35 Ca -0.08 -1.96 0.26 0.00 1.00 0.00 0.00 64.86 64.08 2pdd h ILE 35 Cb 0.63 1.93 -0.13 0.00 -0.74 0.00 0.00 36.82 38.51 2pdd h ILE 35 CO 0.13 0.60 0.50 -0.78 0.00 0.00 0.00 178.15 178.60 2pdd h ASP 36 N 0.41 0.49 0.15 1.72 3.58 -1.52 0.50 116.42 121.74 2pdd h ASP 36 Ca -0.02 0.16 -0.18 0.00 0.42 0.00 0.00 57.03 57.41 2pdd h ASP 36 Cb 1.24 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.39 2pdd h ASP 36 CO 0.12 -0.00 -0.68 0.00 -2.88 0.00 0.00 179.24 175.80 2pdd h ALA 37 N 1.76 0.60 -0.22 -0.78 0.00 -1.45 -2.43 119.26 116.73 2pdd h ALA 37 Ca 0.63 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pdd h ALA 37 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pdd h ALA 37 CO -0.54 0.73 0.00 0.34 0.00 0.00 0.00 179.25 179.78 2pdd n PHE 38 N -3.89 0.00 0.23 0.00 7.35 0.17 0.15 117.46 121.48 2pdd n PHE 38 Ca -0.04 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.55 2pdd n PHE 38 Cb 0.68 -0.46 -0.05 0.00 0.35 0.00 0.00 39.48 40.00 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 -0.54 -0.12 -2.13 5.85 -1.66 -0.98 115.31 115.73 2pdd h LEU 39 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2pdd h LEU 39 Cb 0.00 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2pdd h LEU 39 CO 0.00 -0.17 -0.24 0.00 -0.34 0.00 0.00 178.44 177.69 2pdd h ALA 40 N -1.26 -0.58 -1.00 1.25 0.00 -1.43 -0.45 119.26 115.79 2pdd h ALA 40 Ca -0.07 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.01 2pdd h ALA 40 Cb 0.49 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 2pdd h ALA 40 CO 0.11 -0.68 0.62 0.78 0.00 0.00 0.00 179.25 180.07 2pdd h GLY 41 N -0.22 1.69 0.00 0.00 0.00 0.12 -3.48 103.07 101.18 2pdd h GLY 41 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2pdd h GLY 41 CO -0.23 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 176.90 2pdd n GLY 42 N -1.35 -1.71 0.00 4.60 0.00 -0.18 -5.03 105.19 101.52 2pdd n GLY 42 Ca 0.22 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32