#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd s ILE 2 N 0.00 2.38 -0.77 1.55 -1.09 -1.26 -4.61 121.20 117.39 2pdd s ILE 2 Ca 0.00 0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.29 2pdd s ILE 2 Cb 0.00 -2.43 -0.08 0.00 -1.58 0.00 0.00 42.46 38.36 2pdd s ILE 2 CO 0.00 -0.16 2.18 0.00 -1.23 0.00 0.00 174.94 175.73 2pdd s ALA 3 N -2.78 1.33 0.59 9.38 0.00 -1.26 -4.93 121.76 124.09 2pdd s ALA 3 Ca 0.65 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 2pdd s ALA 3 Cb -0.20 -4.51 -0.03 0.00 0.00 0.00 0.00 23.12 18.37 2pdd s ALA 3 CO 0.59 -5.11 1.16 -1.64 0.00 0.00 0.00 175.76 170.77 2pdd s MET 4 N 7.91 3.03 -0.45 0.00 1.00 -1.26 -4.80 119.30 124.73 2pdd s MET 4 Ca 0.82 1.68 -0.28 0.00 0.00 0.00 0.00 55.69 57.91 2pdd s MET 4 Cb -0.11 -1.95 -0.29 0.00 0.00 0.00 0.00 34.83 32.47 2pdd s MET 4 CO 0.08 -1.12 1.79 -0.35 0.00 0.00 0.00 175.02 175.42 2pdd n PRO 5 N -1.68 0.39 0.00 2.03 -0.04 -1.26 -1.95 135.00 132.49 2pdd n PRO 5 Ca 0.12 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 2pdd n PRO 5 Cb 0.50 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 2pdd n PRO 5 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2pdd n SER 6 N 11.50 0.00 -0.09 3.54 2.88 -1.26 -4.98 113.62 125.21 2pdd n SER 6 Ca 0.46 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.79 2pdd n SER 6 Cb 0.43 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.77 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2pdd h VAL 7 N 0.00 0.99 -0.93 2.46 2.07 -1.74 -3.30 116.25 115.80 2pdd h VAL 7 Ca 0.00 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 2pdd h VAL 7 Cb 0.00 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2pdd h VAL 7 CO 0.00 0.41 0.56 -0.09 0.02 0.00 0.00 177.57 178.46 2pdd h ARG 8 N -0.88 1.27 -0.90 1.57 2.43 -1.93 -2.27 114.38 113.68 2pdd h ARG 8 Ca -0.32 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 58.81 2pdd h ARG 8 Cb 1.35 -0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 2pdd h ARG 8 CO -0.15 0.89 0.55 0.87 -1.51 0.00 0.00 179.97 180.62 2pdd h LYS 9 N 1.29 0.95 -0.48 0.20 1.57 -1.92 -1.14 116.57 117.04 2pdd h LYS 9 Ca 0.33 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 2pdd h LYS 9 Cb -0.05 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.00 2pdd h LYS 9 CO -0.06 0.63 0.20 -0.92 -0.57 0.00 0.00 179.45 178.72 2pdd h TYR 10 N 0.97 0.36 -0.73 -1.35 5.03 -1.49 -1.30 116.97 118.46 2pdd h TYR 10 Ca 0.41 0.02 0.14 0.00 2.58 0.00 0.00 58.73 61.88 2pdd h TYR 10 Cb 0.25 -0.09 -0.10 0.00 1.55 0.00 0.00 36.73 38.35 2pdd h TYR 10 CO -0.03 0.15 0.26 0.00 -1.32 0.00 0.00 178.16 177.22 2pdd h ALA 11 N 1.29 1.00 -0.73 1.82 0.00 -1.09 -0.07 119.26 121.48 2pdd h ALA 11 Ca 0.22 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2pdd h ALA 11 Cb 0.19 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2pdd h ALA 11 CO -0.20 -0.25 0.48 0.00 0.00 0.00 0.00 179.25 179.28 2pdd h ARG 12 N 0.39 0.93 0.46 0.00 2.47 -0.92 0.16 114.38 117.86 2pdd h ARG 12 Ca 0.40 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 59.05 2pdd h ARG 12 Cb 0.63 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2pdd h ARG 12 CO -0.43 0.61 -0.27 0.93 0.56 0.00 0.00 179.97 181.38 2pdd h GLU 13 N 0.96 -0.66 0.00 0.04 5.08 -0.48 -1.80 114.58 117.72 2pdd h GLU 13 Ca 0.28 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2pdd h GLU 13 Cb -0.06 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2pdd h GLU 13 CO -0.08 -0.44 0.00 1.63 -1.00 0.00 0.00 179.01 179.12 2pdd n LYS 14 N -4.04 0.46 -3.04 2.33 4.76 -0.95 -4.86 118.16 112.83 2pdd n LYS 14 Ca -0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 2pdd n LYS 14 Cb 0.28 -1.06 0.01 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.04 -1.03 3.15 0.72 0.00 -0.51 -5.04 105.19 102.44 2pdd n GLY 15 Ca 0.01 1.11 -0.13 0.00 0.00 0.00 0.00 46.02 47.02 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 -2.47 -0.01 -0.53 1.61 1.01 0.43 -5.00 120.40 115.44 2pdd s VAL 16 Ca 0.23 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 2pdd s VAL 16 Cb -0.05 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.97 2pdd s VAL 16 CO 0.79 0.01 0.89 -0.62 0.00 0.00 0.00 175.10 176.17 2pdd s ASP 17 N 0.45 6.34 0.32 3.32 -1.08 -1.26 -4.35 116.67 120.41 2pdd s ASP 17 Ca -0.03 -0.37 0.08 0.00 -0.52 0.00 0.00 52.55 51.72 2pdd s ASP 17 Cb -0.04 -2.41 0.91 0.00 -1.46 0.00 0.00 42.92 39.91 2pdd s ASP 17 CO -0.02 -1.14 1.63 -0.29 0.52 0.00 0.00 175.17 175.86 2pdd h ILE 18 N 6.00 0.23 -0.07 4.11 2.10 -1.94 -1.71 117.51 126.23 2pdd h ILE 18 Ca -0.26 -0.06 0.03 0.00 1.08 0.00 0.00 64.86 65.64 2pdd h ILE 18 Cb 1.08 0.02 -0.06 0.00 -1.09 0.00 0.00 36.82 36.77 2pdd h ILE 18 CO 1.06 0.03 -0.53 0.03 -1.08 0.00 0.00 178.15 177.66 2pdd h ARG 19 N 0.19 -0.60 -0.20 2.19 3.08 -1.91 -1.03 114.38 116.10 2pdd h ARG 19 Ca 0.65 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.80 2pdd h ARG 19 Cb 1.44 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 2pdd h ARG 19 CO -0.69 -0.40 0.26 -0.07 -1.07 0.00 0.00 179.97 177.99 2pdd h LEU 20 N -0.62 0.00 -9.86 3.04 3.38 -1.73 -3.43 115.31 106.09 2pdd h LEU 20 Ca 0.03 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.44 2pdd h LEU 20 Cb 0.70 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.57 2pdd h LEU 20 CO -0.40 0.00 0.62 0.52 0.09 0.00 0.00 178.44 179.27 2pdd n VAL 21 N -3.64 2.27 -3.10 1.22 0.31 -0.39 -4.95 118.33 110.05 2pdd n VAL 21 Ca 0.02 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.66 2pdd n VAL 21 Cb 0.38 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 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 0.27 1.39 0.00 5.55 7.27 -1.26 -4.50 117.38 126.10 2pdd n GLN 22 Ca 0.04 -3.63 0.00 0.00 0.07 0.00 0.00 57.00 53.48 2pdd n GLN 22 Cb 0.39 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.26 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 0.16 0.77 0.14 1.69 0.00 -1.26 -4.81 105.19 101.87 2pdd n GLY 23 Ca 0.25 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 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 1.43 -1.49 2.61 1.35 -1.93 -3.45 112.91 111.43 2pdd h THR 24 Ca 0.00 -2.33 0.08 0.00 -0.55 0.00 0.00 66.41 63.61 2pdd h THR 24 Cb 0.00 2.85 -0.21 0.00 -1.73 0.00 0.00 68.15 69.07 2pdd h THR 24 CO 0.00 0.68 -0.21 -0.83 -0.25 0.00 0.00 175.52 174.91 2pdd s GLY 25 N -4.28 -0.86 0.00 5.82 0.00 -1.26 -5.02 107.32 101.72 2pdd s GLY 25 Ca -0.13 2.07 0.00 0.00 0.00 0.00 0.00 44.72 46.67 2pdd s GLY 25 CO 0.85 3.22 1.41 0.58 0.00 0.00 0.00 173.10 179.15 2pdd n LYS 26 N 5.44 0.74 -0.39 2.90 2.85 -1.26 -3.30 118.16 125.14 2pdd n LYS 26 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2pdd n LYS 26 Cb 0.50 -1.13 0.00 0.00 -0.65 0.00 0.00 35.03 33.75 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 1.52 1.56 0.00 -5.58 6.94 -1.26 -4.94 115.26 113.49 2pdd n ASN 27 Ca 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 2pdd n ASN 27 Cb 0.37 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 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 3.89 -0.24 2.16 4.83 0.00 -1.26 -1.21 105.19 113.36 2pdd n GLY 28 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.19 2.48 -2.84 1.61 5.12 -1.26 -4.37 116.66 116.21 2pdd n ARG 29 Ca 0.00 -3.22 -0.33 0.00 -1.93 0.00 0.00 57.85 52.37 2pdd n ARG 29 Cb 0.08 -2.20 -0.07 0.00 -1.16 0.00 0.00 32.46 29.11 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 -4.04 4.45 0.52 1.55 1.01 -0.35 -4.27 120.40 119.28 2pdd s VAL 30 Ca 0.59 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.95 2pdd s VAL 30 Cb 0.48 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2pdd s VAL 30 CO 0.04 -0.33 0.00 0.18 0.00 0.00 0.00 175.10 175.00 2pdd n LEU 31 N -0.67 0.00 0.09 3.92 4.32 -1.26 -4.57 117.00 118.82 2pdd n LEU 31 Ca 0.06 -3.29 -0.12 0.00 -0.02 0.00 0.00 56.01 52.65 2pdd n LEU 31 Cb 0.54 0.38 -0.10 0.00 -1.62 0.00 0.00 43.42 42.62 2pdd n LEU 31 CO 0.38 -0.47 0.08 0.50 -1.22 0.00 0.00 177.39 176.67 2pdd h LYS 32 N 0.00 0.19 0.00 3.23 3.64 -1.96 -2.85 116.57 118.82 2pdd h LYS 32 Ca -0.43 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 2pdd h LYS 32 Cb 1.32 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2pdd h LYS 32 CO 0.72 1.09 0.00 -0.85 -2.27 0.00 0.00 179.45 178.14 2pdd n GLU 33 N -3.53 0.18 0.15 1.90 0.00 -1.26 -2.64 120.64 115.44 2pdd n GLU 33 Ca -0.05 0.09 -0.13 0.00 0.00 0.00 0.00 57.16 57.07 2pdd n GLU 33 Cb 0.94 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.80 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 -0.34 0.21 -1.84 1.82 -1.81 -3.00 116.42 111.47 2pdd h ASP 34 Ca 0.00 -0.19 -0.18 0.00 -0.39 0.00 0.00 57.03 56.27 2pdd h ASP 34 Cb 0.29 0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 2pdd h ASP 34 CO 0.00 0.05 -0.69 0.40 -1.61 0.00 0.00 179.24 177.39 2pdd h ILE 35 N -0.78 1.37 -0.97 2.25 2.04 -1.32 -3.08 117.51 117.01 2pdd h ILE 35 Ca -0.04 -2.07 0.24 0.00 1.00 0.00 0.00 64.86 63.99 2pdd h ILE 35 Cb 0.51 2.04 -0.12 0.00 -0.74 0.00 0.00 36.82 38.51 2pdd h ILE 35 CO 0.07 0.62 0.54 -0.78 0.00 0.00 0.00 178.15 178.60 2pdd h ASP 36 N 0.30 0.59 0.44 1.72 1.82 -1.53 0.57 116.42 120.34 2pdd h ASP 36 Ca -0.02 0.14 -0.16 0.00 -0.39 0.00 0.00 57.03 56.60 2pdd h ASP 36 Cb 1.26 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.31 2pdd h ASP 36 CO 0.12 0.08 -0.68 0.00 -1.61 0.00 0.00 179.24 177.15 2pdd h ALA 37 N 1.72 0.76 -0.05 -0.78 0.00 -1.44 -2.37 119.26 117.10 2pdd h ALA 37 Ca 0.62 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pdd h ALA 37 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2pdd h ALA 37 CO -0.49 0.79 -0.05 0.35 0.00 0.00 0.00 179.25 179.85 2pdd h PHE 38 N 0.15 -0.16 0.01 0.00 3.57 0.22 -3.11 116.94 117.61 2pdd h PHE 38 Ca -0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2pdd h PHE 38 Cb 1.22 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2pdd h PHE 38 CO 0.02 -0.04 -0.00 1.25 -2.23 0.00 0.00 178.31 177.31 2pdd h LEU 39 N -0.03 -0.01 -2.62 0.59 5.85 -1.66 -3.47 115.31 113.96 2pdd h LEU 39 Ca 0.01 -0.64 -0.53 0.00 0.84 0.00 0.00 57.88 57.56 2pdd h LEU 39 Cb 0.05 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2pdd h LEU 39 CO -0.06 0.64 -0.94 0.00 -0.34 0.00 0.00 178.44 177.73 2pdd n ALA 40 N -2.44 -2.25 -1.97 1.25 0.00 -0.89 -4.80 120.51 109.42 2pdd n ALA 40 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2pdd n ALA 40 Cb 0.32 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.06 0.85 0.08 0.00 0.00 -1.26 -4.92 105.19 97.88 2pdd n GLY 41 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -1.01 3.42 -0.02 0.00 -1.26 -5.29 105.19 101.03 2pdd n GLY 42 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32