#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd s ALA 3 N 0.00 -1.70 0.53 -1.28 0.00 -1.26 -4.73 121.76 113.32 2pdd s ALA 3 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 2pdd s ALA 3 Cb 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.54 2pdd s ALA 3 CO 0.00 -0.64 0.81 -1.33 0.00 0.00 0.00 175.76 174.60 2pdd n MET 4 N -0.01 0.87 -1.36 0.00 2.81 -1.26 -4.91 117.12 113.25 2pdd n MET 4 Ca -0.15 0.33 -0.33 0.00 -1.81 0.00 0.00 57.70 55.74 2pdd n MET 4 Cb 0.62 -1.95 0.10 0.00 -0.71 0.00 0.00 33.22 31.28 2pdd n MET 4 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2pdd s PRO 5 N -2.28 2.11 -1.19 0.03 0.04 -1.26 -3.41 135.00 129.03 2pdd s PRO 5 Ca 0.70 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 2pdd s PRO 5 Cb -0.47 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2pdd s PRO 5 CO 0.52 -1.82 0.08 0.43 0.04 0.00 0.00 177.00 176.25 2pdd n SER 6 N -3.01 -4.42 0.01 6.66 7.64 -1.26 -4.88 113.62 114.36 2pdd n SER 6 Ca 0.12 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2pdd n SER 6 Cb 0.51 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.18 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2pdd n VAL 7 N -4.03 0.04 -0.14 0.44 0.31 -1.22 -4.73 118.33 109.00 2pdd n VAL 7 Ca -0.15 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.12 2pdd n VAL 7 Cb 0.62 -0.53 0.01 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.58 -0.89 5.55 2.43 -1.90 -2.33 114.38 117.82 2pdd h ARG 8 Ca 0.00 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 2pdd h ARG 8 Cb 0.00 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.33 2pdd h ARG 8 CO 0.00 0.39 0.50 0.87 -1.51 0.00 0.00 179.97 180.21 2pdd h LYS 9 N 0.60 0.69 -0.37 0.20 1.79 -1.92 0.29 116.57 117.86 2pdd h LYS 9 Ca 0.16 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.62 2pdd h LYS 9 Cb -0.07 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.39 2pdd h LYS 9 CO -0.03 0.46 0.17 -0.92 -1.08 0.00 0.00 179.45 178.04 2pdd h TYR 10 N 0.72 0.31 -0.70 -1.35 3.20 -1.71 -1.84 116.97 115.60 2pdd h TYR 10 Ca 0.48 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.50 2pdd h TYR 10 Cb 0.64 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 2pdd h TYR 10 CO -0.06 0.16 0.22 0.00 -1.64 0.00 0.00 178.16 176.83 2pdd h ALA 11 N 1.20 0.92 -0.87 1.82 0.00 -0.73 0.32 119.26 121.92 2pdd h ALA 11 Ca 0.16 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2pdd h ALA 11 Cb 0.08 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2pdd h ALA 11 CO -0.12 -0.27 0.53 0.00 0.00 0.00 0.00 179.25 179.39 2pdd h ARG 12 N 0.34 0.92 -0.32 0.00 2.47 -0.76 0.46 114.38 117.50 2pdd h ARG 12 Ca 0.38 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 2pdd h ARG 12 Cb 0.59 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2pdd h ARG 12 CO -0.43 0.61 0.12 0.93 0.56 0.00 0.00 179.97 181.76 2pdd h GLU 13 N 0.94 0.45 -0.05 0.04 5.08 -0.56 -1.65 114.58 118.83 2pdd h GLU 13 Ca 0.39 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2pdd h GLU 13 Cb 0.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2pdd h GLU 13 CO -0.20 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 179.83 2pdd n LYS 14 N -4.40 2.14 -1.27 2.33 4.76 -0.26 -4.93 118.16 116.54 2pdd n LYS 14 Ca 0.02 -1.66 -0.09 0.00 -2.87 0.00 0.00 58.31 53.70 2pdd n LYS 14 Cb 0.14 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 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 1.31 0.95 3.67 0.72 0.00 0.15 -4.94 105.19 107.05 2pdd n GLY 15 Ca 0.16 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.96 4.80 -0.53 1.61 1.01 -0.63 -4.98 120.40 119.73 2pdd s VAL 16 Ca 0.00 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.57 2pdd s VAL 16 Cb 0.00 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.15 2pdd s VAL 16 CO 0.00 -0.02 1.42 -0.62 0.00 0.00 0.00 175.10 175.88 2pdd s ASP 17 N 1.14 6.15 0.34 3.32 2.15 -1.26 -4.55 116.67 123.97 2pdd s ASP 17 Ca 0.43 0.38 0.14 0.00 0.43 0.00 0.00 52.55 53.94 2pdd s ASP 17 Cb -0.17 -2.54 1.12 0.00 -0.30 0.00 0.00 42.92 41.02 2pdd s ASP 17 CO 0.13 -1.67 1.60 -0.29 -0.17 0.00 0.00 175.17 174.78 2pdd h ILE 18 N 6.40 0.10 -0.24 4.11 2.10 -1.94 0.43 117.51 128.47 2pdd h ILE 18 Ca -0.27 -0.03 0.06 0.00 1.08 0.00 0.00 64.86 65.70 2pdd h ILE 18 Cb 1.10 -0.00 -0.07 0.00 -1.09 0.00 0.00 36.82 36.75 2pdd h ILE 18 CO 1.16 0.02 -0.28 -0.09 -1.08 0.00 0.00 178.15 177.88 2pdd h ARG 19 N 0.09 -0.28 -0.33 2.19 2.43 -1.91 -0.04 114.38 116.54 2pdd h ARG 19 Ca 0.75 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 60.03 2pdd h ARG 19 Cb 1.82 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 2pdd h ARG 19 CO -0.75 -0.19 0.27 -0.07 -1.51 0.00 0.00 179.97 177.72 2pdd h LEU 20 N -0.29 0.00 -9.95 3.80 3.38 -1.31 -3.42 115.31 107.52 2pdd h LEU 20 Ca 0.13 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.57 2pdd h LEU 20 Cb 0.50 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.33 2pdd h LEU 20 CO -0.40 0.00 0.62 -0.69 0.09 0.00 0.00 178.44 178.06 2pdd s VAL 21 N -4.86 2.57 -0.39 1.22 1.01 -0.03 -4.97 120.40 114.95 2pdd s VAL 21 Ca -0.05 0.51 0.09 0.00 0.00 0.00 0.00 61.98 62.54 2pdd s VAL 21 Cb 0.17 -3.30 0.29 0.00 0.00 0.00 0.00 36.38 33.54 2pdd s VAL 21 CO 0.65 0.08 0.61 1.67 0.00 0.00 0.00 175.10 178.10 2pdd n GLN 22 N 0.12 0.81 0.00 2.72 7.27 -1.26 -4.77 117.38 122.26 2pdd n GLN 22 Ca 0.04 -3.24 0.00 0.00 0.07 0.00 0.00 57.00 53.87 2pdd n GLN 22 Cb 0.43 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.69 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 0.99 1.62 0.09 1.69 0.00 -1.26 -4.92 105.19 103.40 2pdd n GLY 23 Ca 0.22 0.00 -0.15 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 0.80 -3.07 2.61 1.35 -1.95 -3.46 112.91 109.19 2pdd h THR 24 Ca 0.00 -1.85 -0.48 0.00 -0.55 0.00 0.00 66.41 63.53 2pdd h THR 24 Cb 0.00 1.76 -0.41 0.00 -1.73 0.00 0.00 68.15 67.78 2pdd h THR 24 CO 0.00 0.27 -0.76 -0.83 -0.25 0.00 0.00 175.52 173.96 2pdd s GLY 25 N -4.49 0.44 -1.33 5.82 0.00 -1.26 -5.03 107.32 101.47 2pdd s GLY 25 Ca -0.22 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 43.94 2pdd s GLY 25 CO 0.48 1.70 2.56 1.17 0.00 0.00 0.00 173.10 179.01 2pdd n LYS 26 N 5.23 2.98 -0.17 2.90 4.81 -1.26 -2.99 118.16 129.64 2pdd n LYS 26 Ca -0.07 -1.97 0.00 0.00 -0.87 0.00 0.00 58.31 55.40 2pdd n LYS 26 Cb 0.48 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.80 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2pdd n ASN 27 N 4.21 0.00 0.00 3.14 6.94 -1.26 -4.95 115.26 123.34 2pdd n ASN 27 Ca 0.63 -0.13 0.00 0.00 -0.02 0.00 0.00 54.58 55.07 2pdd n ASN 27 Cb 0.22 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.26 1.68 4.83 0.00 -1.26 -0.62 105.19 109.56 2pdd n GLY 28 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 2.18 -1.67 1.61 5.12 -1.26 -4.71 116.66 116.71 2pdd n ARG 29 Ca 0.00 -3.23 -0.33 0.00 -1.93 0.00 0.00 57.85 52.37 2pdd n ARG 29 Cb 0.07 -2.01 0.05 0.00 -1.16 0.00 0.00 32.46 29.41 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 -3.54 3.30 0.47 1.55 1.01 0.21 -4.35 120.40 119.05 2pdd s VAL 30 Ca 0.51 0.56 0.07 0.00 0.00 0.00 0.00 61.98 63.12 2pdd s VAL 30 Cb 0.44 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2pdd s VAL 30 CO 0.03 -0.42 0.39 -0.76 0.00 0.00 0.00 175.10 174.34 2pdd s LEU 31 N -5.08 3.07 0.16 3.92 1.43 -1.26 -4.86 118.68 116.06 2pdd s LEU 31 Ca 0.65 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2pdd s LEU 31 Cb -0.19 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 2pdd s LEU 31 CO 0.44 -0.85 1.35 0.50 0.23 0.00 0.00 176.35 178.03 2pdd h LYS 32 N 0.92 0.15 -0.00 1.70 1.63 -1.95 -2.84 116.57 116.18 2pdd h LYS 32 Ca -0.39 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 2pdd h LYS 32 Cb 1.28 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2pdd h LYS 32 CO 0.58 0.96 -0.07 0.39 -3.45 0.00 0.00 179.45 177.87 2pdd n GLU 33 N -3.60 0.57 0.17 1.90 1.02 -1.26 -3.11 120.64 116.34 2pdd n GLU 33 Ca -0.03 -0.12 -0.14 0.00 -0.02 0.00 0.00 57.16 56.85 2pdd n GLU 33 Cb 0.84 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.68 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2pdd h ASP 34 N 0.30 -0.36 0.27 1.62 1.82 -1.80 -2.72 116.42 115.55 2pdd h ASP 34 Ca 0.00 -0.12 -0.27 0.00 -0.39 0.00 0.00 57.03 56.25 2pdd h ASP 34 Cb 0.32 0.09 0.02 0.00 0.68 0.00 0.00 39.33 40.44 2pdd h ASP 34 CO 0.00 -0.08 -1.15 0.40 -1.61 0.00 0.00 179.24 176.80 2pdd h ILE 35 N -0.64 1.35 -0.92 2.25 2.04 -1.52 -3.12 117.51 116.95 2pdd h ILE 35 Ca -0.04 -2.55 0.24 0.00 1.00 0.00 0.00 64.86 63.51 2pdd h ILE 35 Cb 0.46 2.64 -0.13 0.00 -0.74 0.00 0.00 36.82 39.05 2pdd h ILE 35 CO 0.07 0.77 0.42 -0.78 0.00 0.00 0.00 178.15 178.62 2pdd h ASP 36 N 0.24 0.34 -0.07 1.72 3.58 -1.57 0.46 116.42 121.12 2pdd h ASP 36 Ca -0.15 0.16 -0.16 0.00 0.42 0.00 0.00 57.03 57.31 2pdd h ASP 36 Cb 1.82 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 43.01 2pdd h ASP 36 CO 0.21 -0.03 -0.51 0.00 -2.88 0.00 0.00 179.24 176.02 2pdd h ALA 37 N 1.74 0.67 -0.10 -0.78 0.00 -1.51 -2.45 119.26 116.83 2pdd h ALA 37 Ca 0.59 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pdd h ALA 37 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2pdd h ALA 37 CO -0.55 0.68 -0.08 0.35 0.00 0.00 0.00 179.25 179.65 2pdd h PHE 38 N 0.50 -0.25 0.12 0.00 3.57 -0.01 -3.27 116.94 117.60 2pdd h PHE 38 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2pdd h PHE 38 Cb 1.07 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2pdd h PHE 38 CO 0.05 -0.06 -0.06 1.25 -2.23 0.00 0.00 178.31 177.26 2pdd h LEU 39 N -0.03 -0.14 -9.16 0.59 5.85 -1.64 -3.43 115.31 107.36 2pdd h LEU 39 Ca 0.02 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.12 2pdd h LEU 39 Cb 0.07 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.15 2pdd h LEU 39 CO -0.11 -0.01 1.17 0.00 -0.34 0.00 0.00 178.44 179.15 2pdd n ALA 40 N -2.22 0.95 0.29 1.25 0.00 -0.92 -4.86 120.51 115.00 2pdd n ALA 40 Ca -0.02 0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 2pdd n ALA 40 Cb 0.07 -2.54 -0.09 0.00 0.00 0.00 0.00 19.45 16.89 2pdd n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pdd h GLY 41 N 10.07 -1.09 0.00 0.00 0.00 -1.84 -3.40 103.07 106.81 2pdd h GLY 41 Ca -0.45 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2pdd h GLY 41 CO 0.96 -0.36 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2pdd n GLY 42 N -1.53 0.24 2.69 4.60 0.00 -1.26 -5.00 105.19 104.92 2pdd n GLY 42 Ca -0.12 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32