#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ALA 3 N 0.00 -3.13 -1.79 -1.28 0.00 -1.26 -4.77 120.51 108.28 2pdd n ALA 3 Ca 0.00 0.60 -0.34 0.00 0.00 0.00 0.00 53.44 53.70 2pdd n ALA 3 Cb 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.97 3.79 -1.03 0.00 -1.94 -1.26 -4.88 119.30 110.00 2pdd s MET 4 Ca 0.00 1.31 -0.25 0.00 -1.71 0.00 0.00 55.69 55.04 2pdd s MET 4 Cb 0.00 -2.10 -0.15 0.00 2.01 0.00 0.00 34.83 34.59 2pdd s MET 4 CO 0.00 -0.43 2.11 -1.25 -0.01 0.00 0.00 175.02 175.44 2pdd s PRO 5 N -3.35 1.74 0.00 2.03 0.04 -1.26 -2.50 135.00 131.70 2pdd s PRO 5 Ca 0.66 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2pdd s PRO 5 Cb -0.15 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.37 2pdd s PRO 5 CO 0.21 -4.69 0.00 -1.13 0.04 0.00 0.00 177.00 171.44 2pdd n SER 6 N 17.55 0.00 0.01 6.66 3.41 -1.26 -4.99 113.62 135.01 2pdd n SER 6 Ca 0.43 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.82 2pdd n SER 6 Cb 0.46 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.80 -0.75 -3.33 2.07 -1.87 -3.36 116.25 109.81 2pdd h VAL 7 Ca 0.00 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.10 2pdd h VAL 7 Cb 0.00 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2pdd h VAL 7 CO 0.00 0.81 0.32 -0.09 0.02 0.00 0.00 177.57 178.63 2pdd h ARG 8 N -0.07 1.10 -0.99 1.57 2.43 -1.90 -2.48 114.38 114.05 2pdd h ARG 8 Ca -0.38 -0.19 0.18 0.00 -0.81 0.00 0.00 59.98 58.78 2pdd h ARG 8 Cb 1.95 -0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 31.21 2pdd h ARG 8 CO 0.08 0.89 0.59 0.87 -1.51 0.00 0.00 179.97 180.89 2pdd h LYS 9 N 1.07 0.75 0.14 0.20 6.56 -1.90 0.31 116.57 123.69 2pdd h LYS 9 Ca 0.25 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.79 2pdd h LYS 9 Cb 0.18 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2pdd h LYS 9 CO -0.02 0.49 -0.07 -0.92 -2.06 0.00 0.00 179.45 176.87 2pdd h TYR 10 N 0.77 -0.17 -0.84 -1.35 5.03 -1.59 -0.65 116.97 118.16 2pdd h TYR 10 Ca 0.56 -0.00 0.18 0.00 2.58 0.00 0.00 58.73 62.04 2pdd h TYR 10 Cb 0.83 0.06 -0.11 0.00 1.55 0.00 0.00 36.73 39.06 2pdd h TYR 10 CO -0.02 -0.06 0.38 0.00 -1.32 0.00 0.00 178.16 177.14 2pdd h ALA 11 N 0.62 1.28 -0.22 1.82 0.00 -0.88 0.23 119.26 122.11 2pdd h ALA 11 Ca -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pdd h ALA 11 Cb 0.19 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pdd h ALA 11 CO 0.03 -0.23 0.09 0.00 0.00 0.00 0.00 179.25 179.14 2pdd h ARG 12 N 0.47 0.32 -0.84 0.00 3.08 -0.59 0.56 114.38 117.39 2pdd h ARG 12 Ca 0.49 -0.06 0.23 0.00 0.07 0.00 0.00 59.98 60.71 2pdd h ARG 12 Cb 0.82 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 2pdd h ARG 12 CO -0.45 0.37 0.59 0.93 -1.07 0.00 0.00 179.97 180.34 2pdd h GLU 13 N 0.21 0.11 0.00 0.04 4.39 0.58 0.45 114.58 120.35 2pdd h GLU 13 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2pdd h GLU 13 Cb 0.16 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2pdd h GLU 13 CO -0.01 0.07 -0.90 1.63 -1.16 0.00 0.00 179.01 178.65 2pdd n LYS 14 N -4.35 0.01 -0.94 2.33 4.76 -0.77 -4.94 118.16 114.25 2pdd n LYS 14 Ca 0.17 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2pdd n LYS 14 Cb 0.83 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 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 1.50 0.79 3.75 0.72 0.00 0.18 -4.98 105.19 107.15 2pdd n GLY 15 Ca 0.04 0.00 -0.41 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 -3.31 3.29 -0.55 1.61 1.01 -0.15 -4.93 120.40 117.38 2pdd s VAL 16 Ca 0.00 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.92 2pdd s VAL 16 Cb 0.00 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2pdd s VAL 16 CO 0.00 0.23 0.94 -0.62 0.00 0.00 0.00 175.10 175.65 2pdd s ASP 17 N -0.24 6.34 0.32 3.32 2.15 -1.26 -4.39 116.67 122.92 2pdd s ASP 17 Ca 0.50 -0.35 0.09 0.00 0.43 0.00 0.00 52.55 53.22 2pdd s ASP 17 Cb -0.35 -2.44 0.94 0.00 -0.30 0.00 0.00 42.92 40.77 2pdd s ASP 17 CO 0.42 -1.22 1.62 -0.29 -0.17 0.00 0.00 175.17 175.52 2pdd h ILE 18 N 6.02 0.18 -0.21 4.11 2.10 -1.93 -1.31 117.51 126.47 2pdd h ILE 18 Ca -0.26 -0.05 0.05 0.00 1.08 0.00 0.00 64.86 65.68 2pdd h ILE 18 Cb 1.07 0.02 -0.07 0.00 -1.09 0.00 0.00 36.82 36.75 2pdd h ILE 18 CO 1.09 0.03 -0.45 0.03 -1.08 0.00 0.00 178.15 177.76 2pdd h ARG 19 N 0.15 -0.45 -0.54 2.19 3.08 -1.91 -0.83 114.38 116.07 2pdd h ARG 19 Ca 0.66 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.90 2pdd h ARG 19 Cb 1.50 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.63 2pdd h ARG 19 CO -0.73 -0.30 0.40 -0.07 -1.07 0.00 0.00 179.97 178.20 2pdd h LEU 20 N -0.47 0.00 -9.75 3.04 3.38 -1.65 -3.42 115.31 106.44 2pdd h LEU 20 Ca 0.08 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 2pdd h LEU 20 Cb 0.63 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.49 2pdd h LEU 20 CO -0.46 0.00 0.49 0.52 0.09 0.00 0.00 178.44 179.08 2pdd n VAL 21 N -4.32 2.07 -3.14 1.22 0.31 -0.32 -4.94 118.33 109.22 2pdd n VAL 21 Ca 0.10 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.71 2pdd n VAL 21 Cb 0.62 -1.55 -0.04 0.00 -0.91 0.00 0.00 33.84 31.96 2pdd n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pdd n GLN 22 N 0.50 1.73 0.00 5.55 6.02 -1.26 -4.88 117.38 125.04 2pdd n GLN 22 Ca 0.05 -3.90 0.00 0.00 -0.01 0.00 0.00 57.00 53.14 2pdd n GLN 22 Cb 0.36 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 0.33 0.79 0.03 1.08 0.00 -1.26 -5.01 105.19 101.15 2pdd n GLY 23 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.26 2pdd n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pdd n THR 24 N 0.00 0.56 0.34 2.61 -2.24 -1.26 -4.73 114.28 109.56 2pdd n THR 24 Ca 0.00 0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 62.01 2pdd n THR 24 Cb 0.00 -1.83 -0.07 0.00 -2.10 0.00 0.00 70.33 66.33 2pdd n THR 24 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pdd h GLY 25 N -0.38 -1.04 -5.78 3.38 0.00 -1.94 -3.46 103.07 93.86 2pdd h GLY 25 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 47.33 47.31 2pdd h GLY 25 CO 0.00 -0.36 -0.69 1.17 0.00 0.00 0.00 176.54 176.66 2pdd n LYS 26 N -4.60 -6.16 -0.09 4.80 4.81 -1.26 -4.85 118.16 110.81 2pdd n LYS 26 Ca -0.11 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2pdd n LYS 26 Cb 0.37 -5.66 0.00 0.00 0.02 0.00 0.00 35.03 29.76 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 -2.81 0.00 0.00 3.14 6.94 -1.26 -4.95 115.26 116.33 2pdd n ASN 27 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 2pdd n ASN 27 Cb 0.55 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 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 -0.21 2.35 4.83 0.00 -1.26 -1.40 105.19 109.50 2pdd n GLY 28 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.15 3.20 -1.29 1.61 5.12 -1.26 -4.26 116.66 118.63 2pdd n ARG 29 Ca 0.00 -4.21 -0.31 0.00 -1.93 0.00 0.00 57.85 51.40 2pdd n ARG 29 Cb 0.06 -2.14 0.09 0.00 -1.16 0.00 0.00 32.46 29.32 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 -4.88 3.35 0.46 1.55 1.01 -0.49 -4.30 120.40 117.10 2pdd s VAL 30 Ca 0.46 0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.96 2pdd s VAL 30 Cb 0.40 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.84 2pdd s VAL 30 CO -0.08 -0.57 0.46 -0.76 0.00 0.00 0.00 175.10 174.15 2pdd s LEU 31 N -5.90 3.26 0.07 3.92 1.02 -1.26 -4.96 118.68 114.81 2pdd s LEU 31 Ca 0.61 -0.82 -0.10 0.00 0.02 0.00 0.00 54.13 53.85 2pdd s LEU 31 Cb -0.17 -1.91 -0.28 0.00 0.02 0.00 0.00 46.19 43.85 2pdd s LEU 31 CO 0.56 -0.84 1.12 0.50 0.02 0.00 0.00 176.35 177.71 2pdd h LYS 32 N 0.83 0.44 0.00 1.70 3.64 -1.96 -2.92 116.57 118.29 2pdd h LYS 32 Ca -0.39 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.32 2pdd h LYS 32 Cb 1.28 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 2pdd h LYS 32 CO 0.54 1.30 0.00 -1.91 -2.27 0.00 0.00 179.45 177.11 2pdd n GLU 33 N -3.67 0.16 0.32 1.90 4.07 -1.26 -2.60 120.64 119.57 2pdd n GLU 33 Ca -0.12 0.14 -0.14 0.00 -0.06 0.00 0.00 57.16 56.98 2pdd n GLU 33 Cb 1.02 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 30.82 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2pdd h ASP 34 N 0.00 -0.73 0.72 4.31 1.82 -1.83 -2.90 116.42 117.82 2pdd h ASP 34 Ca 0.00 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 2pdd h ASP 34 Cb 0.23 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 2pdd h ASP 34 CO 0.00 -0.35 -0.54 0.40 -1.61 0.00 0.00 179.24 177.14 2pdd h ILE 35 N -1.16 1.24 -0.94 2.25 2.04 -1.45 -3.00 117.51 116.48 2pdd h ILE 35 Ca -0.09 -1.94 0.14 0.00 1.00 0.00 0.00 64.86 63.97 2pdd h ILE 35 Cb 0.69 2.09 -0.09 0.00 -0.74 0.00 0.00 36.82 38.77 2pdd h ILE 35 CO 0.14 0.53 0.56 -0.78 0.00 0.00 0.00 178.15 178.60 2pdd h ASP 36 N 0.00 0.77 0.16 1.72 3.58 -1.49 0.27 116.42 121.43 2pdd h ASP 36 Ca -0.01 0.07 -0.17 0.00 0.42 0.00 0.00 57.03 57.34 2pdd h ASP 36 Cb 1.05 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 2pdd h ASP 36 CO 0.07 0.37 -0.66 0.00 -2.88 0.00 0.00 179.24 176.14 2pdd h ALA 37 N 1.55 0.64 -0.04 -0.78 0.00 -1.37 -2.87 119.26 116.40 2pdd h ALA 37 Ca 0.49 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pdd h ALA 37 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pdd h ALA 37 CO -0.31 0.73 0.00 0.34 0.00 0.00 0.00 179.25 180.01 2pdd n PHE 38 N -3.89 0.00 -0.07 0.00 7.35 0.08 -2.53 117.46 118.39 2pdd n PHE 38 Ca -0.04 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.53 2pdd n PHE 38 Cb 0.66 -0.49 -0.05 0.00 0.35 0.00 0.00 39.48 39.95 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 0.42 -8.98 -2.13 5.85 -1.67 -3.40 115.31 105.40 2pdd h LEU 39 Ca 0.00 -0.36 -0.23 0.00 0.84 0.00 0.00 57.88 58.13 2pdd h LEU 39 Cb 0.00 -0.11 0.13 0.00 0.37 0.00 0.00 40.66 41.04 2pdd h LEU 39 CO 0.00 0.69 -0.44 0.00 -0.34 0.00 0.00 178.44 178.34 2pdd n ALA 40 N -2.37 -0.65 -1.21 1.25 0.00 -1.05 -2.61 120.51 113.87 2pdd n ALA 40 Ca -0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 53.44 52.34 2pdd n ALA 40 Cb 0.28 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 2.52 0.88 5.00 0.00 0.00 -1.26 -3.07 105.19 109.27 2pdd n GLY 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.26 1.36 0.00 -0.02 0.00 -1.07 -5.18 105.19 100.53 2pdd n GLY 42 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32