#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 -0.56 -1.82 1.34 2.08 -1.26 -4.69 119.36 114.45 2pdd n ILE 2 Ca 0.00 0.66 -0.41 0.00 0.56 0.00 0.00 62.75 63.57 2pdd n ILE 2 Cb 0.00 -1.05 0.00 0.00 -0.75 0.00 0.00 39.64 37.85 2pdd n ILE 2 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pdd s ALA 3 N -4.18 3.48 0.74 -1.39 0.00 -1.24 -4.80 121.76 114.37 2pdd s ALA 3 Ca 0.00 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 53.34 2pdd s ALA 3 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.56 2pdd s ALA 3 CO 0.00 -1.07 1.14 -1.33 0.00 0.00 0.00 175.76 174.50 2pdd n MET 4 N 0.30 0.51 -0.84 0.00 2.81 -1.26 -4.76 117.12 113.87 2pdd n MET 4 Ca 0.02 0.24 -0.40 0.00 -1.81 0.00 0.00 57.70 55.75 2pdd n MET 4 Cb 0.40 -2.38 -0.07 0.00 -0.71 0.00 0.00 33.22 30.46 2pdd n MET 4 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2pdd n PRO 5 N -2.46 0.97 0.00 0.03 -0.04 -1.26 -2.59 135.00 129.65 2pdd n PRO 5 Ca 0.14 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 2pdd n PRO 5 Cb 0.50 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 7.59 0.00 -0.01 3.54 3.41 -1.26 -4.96 113.62 121.94 2pdd n SER 6 Ca 0.46 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.90 2pdd n SER 6 Cb 0.37 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.42 -0.68 -3.33 2.07 -1.84 -3.21 116.25 110.67 2pdd h VAL 7 Ca 0.00 -1.98 -0.06 0.00 0.82 0.00 0.00 66.70 65.48 2pdd h VAL 7 Cb 0.00 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2pdd h VAL 7 CO 0.00 0.58 0.19 -0.09 0.02 0.00 0.00 177.57 178.26 2pdd h ARG 8 N -0.08 1.08 -0.93 1.57 2.43 -1.89 -2.58 114.38 113.99 2pdd h ARG 8 Ca -0.06 -0.25 0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2pdd h ARG 8 Cb 1.22 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.55 2pdd h ARG 8 CO 0.11 0.95 0.59 0.87 -1.51 0.00 0.00 179.97 180.98 2pdd h LYS 9 N 1.01 0.73 -0.00 0.20 1.57 -1.87 -0.32 116.57 117.89 2pdd h LYS 9 Ca 0.22 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2pdd h LYS 9 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2pdd h LYS 9 CO -0.00 0.48 0.00 -0.92 -0.57 0.00 0.00 179.45 178.44 2pdd h TYR 10 N 0.75 0.00 -0.84 -1.35 3.20 -1.46 -2.24 116.97 115.03 2pdd h TYR 10 Ca 0.47 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.53 2pdd h TYR 10 Cb 0.71 -0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.86 2pdd h TYR 10 CO -0.00 0.04 0.33 0.00 -1.64 0.00 0.00 178.16 176.88 2pdd h ALA 11 N 0.97 1.26 -0.50 1.82 0.00 -1.00 0.75 119.26 122.55 2pdd h ALA 11 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2pdd h ALA 11 Cb 0.04 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2pdd h ALA 11 CO -0.00 -0.30 0.32 0.00 0.00 0.00 0.00 179.25 179.27 2pdd h ARG 12 N 0.39 0.63 -1.00 0.00 3.08 -0.83 0.18 114.38 116.83 2pdd h ARG 12 Ca 0.50 -0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.65 2pdd h ARG 12 Cb 0.89 -0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 2pdd h ARG 12 CO -0.50 0.41 0.63 0.93 -1.07 0.00 0.00 179.97 180.37 2pdd h GLU 13 N 0.64 0.91 -0.01 0.04 5.08 -0.36 0.36 114.58 121.24 2pdd h GLU 13 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2pdd h GLU 13 Cb -0.04 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2pdd h GLU 13 CO -0.06 0.60 -0.13 1.63 -1.00 0.00 0.00 179.01 180.05 2pdd n LYS 14 N -4.66 1.04 -0.84 2.33 4.76 -0.75 -4.89 118.16 115.14 2pdd n LYS 14 Ca 0.20 -0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2pdd n LYS 14 Cb 0.41 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 1.26 0.45 3.73 0.72 0.00 0.13 -4.95 105.19 106.52 2pdd n GLY 15 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.28 3.89 -0.49 1.61 1.01 -0.38 -4.93 120.40 118.83 2pdd s VAL 16 Ca 0.00 1.49 -0.26 0.00 0.00 0.00 0.00 61.98 63.21 2pdd s VAL 16 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2pdd s VAL 16 CO 0.00 0.19 0.98 -0.62 0.00 0.00 0.00 175.10 175.65 2pdd s ASP 17 N 0.47 6.48 0.33 3.32 -1.08 -1.26 -4.32 116.67 120.61 2pdd s ASP 17 Ca 0.54 0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.76 2pdd s ASP 17 Cb -0.30 -2.47 1.03 0.00 -1.46 0.00 0.00 42.92 39.72 2pdd s ASP 17 CO 0.33 -1.15 1.65 -0.29 0.52 0.00 0.00 175.17 176.23 2pdd h ILE 18 N 6.10 0.25 -0.12 4.11 2.10 -1.93 -1.40 117.51 126.62 2pdd h ILE 18 Ca -0.24 -0.09 0.03 0.00 1.08 0.00 0.00 64.86 65.64 2pdd h ILE 18 Cb 1.07 -0.02 -0.06 0.00 -1.09 0.00 0.00 36.82 36.72 2pdd h ILE 18 CO 1.06 0.05 -0.54 -0.09 -1.08 0.00 0.00 178.15 177.55 2pdd h ARG 19 N 0.25 -0.57 -0.53 2.19 9.65 -1.91 -1.22 114.38 122.23 2pdd h ARG 19 Ca 0.71 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.75 2pdd h ARG 19 Cb 1.61 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 30.29 2pdd h ARG 19 CO -0.65 -0.38 0.37 -0.07 2.80 0.00 0.00 179.97 182.04 2pdd h LEU 20 N -0.59 0.14 -9.64 3.80 3.38 -1.67 -3.43 115.31 107.30 2pdd h LEU 20 Ca 0.03 0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.42 2pdd h LEU 20 Cb 0.69 -0.02 0.11 0.00 0.09 0.00 0.00 40.66 41.53 2pdd h LEU 20 CO -0.43 0.08 0.33 0.52 0.09 0.00 0.00 178.44 179.03 2pdd n VAL 21 N -4.43 2.07 -3.19 1.22 0.31 -0.46 -4.94 118.33 108.91 2pdd n VAL 21 Ca 0.09 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.70 2pdd n VAL 21 Cb 0.50 -1.32 -0.05 0.00 -0.91 0.00 0.00 33.84 32.06 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 0.54 1.29 0.00 5.55 6.02 -1.26 -4.92 117.38 124.60 2pdd n GLN 22 Ca 0.07 -3.63 0.00 0.00 -0.01 0.00 0.00 57.00 53.43 2pdd n GLN 22 Cb 0.35 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 0.76 0.85 0.00 1.08 0.00 -1.26 -5.00 105.19 101.63 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 -1.30 0.00 0.00 0.00 173.32 172.02 2pdd n THR 24 N 0.00 0.00 -2.42 2.61 -2.24 -1.26 -4.66 114.28 106.31 2pdd n THR 24 Ca 0.00 0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.73 2pdd n THR 24 Cb 0.00 -1.29 0.01 0.00 -2.10 0.00 0.00 70.33 66.94 2pdd n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pdd n GLY 25 N 1.88 4.89 3.43 3.38 0.00 -1.26 -4.91 105.19 112.59 2pdd n GLY 25 Ca 0.00 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 2pdd n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pdd n LYS 26 N 3.27 0.70 0.00 1.61 4.81 -1.26 -2.33 118.16 124.95 2pdd n LYS 26 Ca 0.39 -1.63 0.00 0.00 -0.87 0.00 0.00 58.31 56.20 2pdd n LYS 26 Cb 0.35 -3.13 0.00 0.00 0.02 0.00 0.00 35.03 32.26 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 11.90 0.00 0.00 3.14 6.94 -1.26 -4.94 115.26 131.04 2pdd n ASN 27 Ca 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.02 2pdd n ASN 27 Cb 0.43 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 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 -0.28 2.38 4.83 0.00 -1.26 -1.38 105.19 109.47 2pdd n GLY 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.25 3.37 -1.65 1.61 5.12 -1.26 -3.64 116.66 118.95 2pdd n ARG 29 Ca 0.00 -4.22 -0.32 0.00 -1.93 0.00 0.00 57.85 51.39 2pdd n ARG 29 Cb 0.10 -2.26 0.05 0.00 -1.16 0.00 0.00 32.46 29.18 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 -5.15 3.70 0.46 1.55 1.01 -0.48 -4.25 120.40 117.25 2pdd s VAL 30 Ca 0.50 0.65 0.08 0.00 0.00 0.00 0.00 61.98 63.21 2pdd s VAL 30 Cb 0.41 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2pdd s VAL 30 CO -0.13 -0.63 0.50 -0.76 0.00 0.00 0.00 175.10 174.08 2pdd s LEU 31 N -5.26 3.29 0.09 3.92 1.02 -1.26 -4.98 118.68 115.50 2pdd s LEU 31 Ca 0.61 -0.77 -0.03 0.00 0.02 0.00 0.00 54.13 53.97 2pdd s LEU 31 Cb -0.16 -1.98 -0.25 0.00 0.02 0.00 0.00 46.19 43.82 2pdd s LEU 31 CO 0.48 -0.87 1.18 0.50 0.02 0.00 0.00 176.35 177.66 2pdd h LYS 32 N 0.75 0.25 0.00 1.70 3.64 -1.97 -2.94 116.57 118.00 2pdd h LYS 32 Ca -0.38 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 2pdd h LYS 32 Cb 1.28 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2pdd h LYS 32 CO 0.52 1.18 0.00 0.39 -2.27 0.00 0.00 179.45 179.27 2pdd n GLU 33 N -3.53 0.27 0.20 1.90 -0.58 -1.26 -2.79 120.64 114.85 2pdd n GLU 33 Ca -0.07 0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2pdd n GLU 33 Cb 0.99 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.29 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 -0.44 0.54 1.62 1.82 -1.83 -2.90 116.42 115.23 2pdd h ASP 34 Ca 0.00 -0.12 -0.18 0.00 -0.39 0.00 0.00 57.03 56.34 2pdd h ASP 34 Cb 0.26 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 2pdd h ASP 34 CO 0.00 -0.10 -0.81 0.40 -1.61 0.00 0.00 179.24 177.12 2pdd h ILE 35 N -0.82 1.47 -0.98 2.25 2.04 -1.49 -3.11 117.51 116.88 2pdd h ILE 35 Ca -0.05 -2.47 0.18 0.00 1.00 0.00 0.00 64.86 63.52 2pdd h ILE 35 Cb 0.54 2.35 -0.11 0.00 -0.74 0.00 0.00 36.82 38.87 2pdd h ILE 35 CO 0.09 0.72 0.58 -0.78 0.00 0.00 0.00 178.15 178.76 2pdd h ASP 36 N 0.12 0.73 -0.03 1.72 3.58 -1.53 0.18 116.42 121.20 2pdd h ASP 36 Ca -0.03 0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.34 2pdd h ASP 36 Cb 1.40 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.42 2pdd h ASP 36 CO 0.12 0.26 -0.60 0.00 -2.88 0.00 0.00 179.24 176.14 2pdd h ALA 37 N 1.64 0.59 -0.20 -0.78 0.00 -1.46 -2.28 119.26 116.76 2pdd h ALA 37 Ca 0.56 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2pdd h ALA 37 Cb 0.87 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2pdd h ALA 37 CO -0.39 0.70 -0.13 0.35 0.00 0.00 0.00 179.25 179.78 2pdd h PHE 38 N 0.47 -0.42 0.00 0.00 3.57 -0.57 1.38 116.94 121.37 2pdd h PHE 38 Ca -0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2pdd h PHE 38 Cb 1.17 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2pdd h PHE 38 CO 0.06 -0.09 -0.41 1.25 -2.23 0.00 0.00 178.31 176.89 2pdd h LEU 39 N -0.01 0.00 -6.22 0.59 5.85 -1.65 -3.37 115.31 110.50 2pdd h LEU 39 Ca 0.03 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.18 2pdd h LEU 39 Cb 0.10 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 40.74 2pdd h LEU 39 CO -0.20 0.41 -1.02 0.00 -0.34 0.00 0.00 178.44 177.29 2pdd n ALA 40 N -2.28 2.70 -0.53 1.25 0.00 -0.25 -4.94 120.51 116.47 2pdd n ALA 40 Ca 0.00 -3.28 -0.16 0.00 0.00 0.00 0.00 53.44 50.00 2pdd n ALA 40 Cb 0.56 -0.78 0.13 0.00 0.00 0.00 0.00 19.45 19.36 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 2.18 3.68 2.64 0.00 0.00 0.46 -4.09 105.19 110.06 2pdd n GLY 41 Ca 0.26 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.60 -1.66 0.00 -0.02 0.00 -1.26 -5.06 105.19 96.59 2pdd n GLY 42 Ca 0.41 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.82 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32