#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 0.01 -0.63 2.52 2.08 -1.26 -3.82 119.36 118.25 2pdd n ILE 2 Ca 0.00 -0.12 -0.31 0.00 0.56 0.00 0.00 62.75 62.89 2pdd n ILE 2 Cb 0.00 -0.77 0.19 0.00 -0.75 0.00 0.00 39.64 38.31 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 -3.86 -2.50 -1.72 -1.39 0.00 -1.26 -4.82 120.51 104.96 2pdd n ALA 3 Ca 0.09 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 2pdd n ALA 3 Cb 0.53 -1.92 0.03 0.00 0.00 0.00 0.00 19.45 18.09 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 -4.13 3.03 0.19 0.00 -1.94 -1.26 -4.89 119.30 110.31 2pdd s MET 4 Ca 0.63 1.73 -0.11 0.00 -1.71 0.00 0.00 55.69 56.23 2pdd s MET 4 Cb -0.21 -1.95 0.12 0.00 2.01 0.00 0.00 34.83 34.80 2pdd s MET 4 CO 0.64 -1.13 1.83 -1.00 -0.01 0.00 0.00 175.02 175.34 2pdd h PRO 5 N 0.85 0.94 -1.28 2.03 0.13 -1.99 -2.16 132.00 130.52 2pdd h PRO 5 Ca -0.50 -0.09 0.37 0.00 -0.87 0.00 0.00 66.00 64.91 2pdd h PRO 5 Cb 1.28 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 2pdd h PRO 5 CO 0.55 0.68 0.92 0.77 -0.23 0.00 0.00 178.00 180.70 2pdd h SER 6 N 0.94 0.00 0.12 1.44 0.02 -2.01 0.19 113.55 114.25 2pdd h SER 6 Ca 0.25 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.88 2pdd h SER 6 Cb -0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2pdd h SER 6 CO -0.04 0.00 -1.67 0.58 -1.14 0.00 0.00 176.83 174.55 2pdd h VAL 7 N 0.00 0.85 -0.60 2.27 2.07 -1.77 -3.35 116.25 115.72 2pdd h VAL 7 Ca 0.61 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 2pdd h VAL 7 Cb 2.45 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 34.78 2pdd h VAL 7 CO -0.01 0.76 0.34 -0.09 0.02 0.00 0.00 177.57 178.59 2pdd h ARG 8 N -0.17 0.84 -0.99 1.57 2.43 -0.78 -2.45 114.38 114.83 2pdd h ARG 8 Ca -0.36 -0.09 0.16 0.00 -0.81 0.00 0.00 59.98 58.87 2pdd h ARG 8 Cb 1.87 -0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 31.16 2pdd h ARG 8 CO 0.06 0.63 0.62 0.87 -1.51 0.00 0.00 179.97 180.64 2pdd h LYS 9 N 0.82 0.83 0.05 0.20 1.57 -1.22 -0.42 116.57 118.40 2pdd h LYS 9 Ca 0.21 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2pdd h LYS 9 Cb 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2pdd h LYS 9 CO -0.04 0.55 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.45 2pdd h TYR 10 N 0.85 -0.06 -0.85 -1.35 3.20 -1.57 0.33 116.97 117.52 2pdd h TYR 10 Ca 0.53 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.59 2pdd h TYR 10 Cb 0.72 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 38.89 2pdd h TYR 10 CO -0.00 -0.04 0.34 0.00 -1.64 0.00 0.00 178.16 176.82 2pdd h ALA 11 N 0.88 1.28 -0.27 1.82 0.00 -0.96 -0.05 119.26 121.96 2pdd h ALA 11 Ca -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2pdd h ALA 11 Cb 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pdd h ALA 11 CO 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 179.25 178.94 2pdd h ARG 12 N 0.40 0.49 -0.28 0.00 3.08 -0.61 0.32 114.38 117.78 2pdd h ARG 12 Ca 0.51 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 60.43 2pdd h ARG 12 Cb 0.90 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.85 2pdd h ARG 12 CO -0.50 0.66 -0.48 0.93 -1.07 0.00 0.00 179.97 179.51 2pdd h GLU 13 N 0.27 -0.38 0.00 0.04 4.39 0.10 -1.28 114.58 117.71 2pdd h GLU 13 Ca 0.08 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 2pdd h GLU 13 Cb 0.45 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2pdd h GLU 13 CO 0.02 -0.26 -0.26 1.57 -1.16 0.00 0.00 179.01 178.92 2pdd h LYS 14 N -0.40 0.00 -0.96 2.33 2.10 -1.54 -3.48 116.57 114.62 2pdd h LYS 14 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2pdd h LYS 14 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2pdd h LYS 14 CO -0.47 0.26 0.00 0.41 -2.00 0.00 0.00 179.45 177.65 2pdd n GLY 15 N 0.85 0.12 3.13 0.07 0.00 0.81 -5.12 105.19 105.05 2pdd n GLY 15 Ca 0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.28 -0.05 -0.55 1.61 1.01 0.57 -4.98 120.40 117.72 2pdd s VAL 16 Ca 0.00 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2pdd s VAL 16 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2pdd s VAL 16 CO 0.00 0.05 1.55 -0.62 0.00 0.00 0.00 175.10 176.08 2pdd s ASP 17 N 1.36 5.92 0.27 3.32 -1.08 -1.26 -4.51 116.67 120.69 2pdd s ASP 17 Ca -0.09 0.41 -0.01 0.00 -0.52 0.00 0.00 52.55 52.34 2pdd s ASP 17 Cb -0.10 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.40 2pdd s ASP 17 CO -0.10 -1.85 1.70 -0.29 0.52 0.00 0.00 175.17 175.15 2pdd h ILE 18 N 6.53 0.51 -0.43 4.11 2.10 -1.94 -1.97 117.51 126.42 2pdd h ILE 18 Ca -0.28 -0.12 0.08 0.00 1.08 0.00 0.00 64.86 65.63 2pdd h ILE 18 Cb 1.11 0.13 -0.09 0.00 -1.09 0.00 0.00 36.82 36.88 2pdd h ILE 18 CO 1.17 0.06 -0.33 -0.09 -1.08 0.00 0.00 178.15 177.88 2pdd h ARG 19 N 0.35 -0.23 -0.69 2.19 2.43 -1.92 -0.44 114.38 116.07 2pdd h ARG 19 Ca 0.48 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.73 2pdd h ARG 19 Cb 0.85 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2pdd h ARG 19 CO -0.51 -0.16 0.46 -0.07 -1.51 0.00 0.00 179.97 178.18 2pdd h LEU 20 N -0.24 0.62 -9.58 3.80 3.38 -1.77 -3.43 115.31 108.09 2pdd h LEU 20 Ca 0.18 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.56 2pdd h LEU 20 Cb 0.54 -0.13 0.12 0.00 0.09 0.00 0.00 40.66 41.28 2pdd h LEU 20 CO -0.56 0.40 0.22 0.52 0.09 0.00 0.00 178.44 179.11 2pdd n VAL 21 N -4.48 2.10 -3.13 1.22 0.31 -0.18 -4.94 118.33 109.23 2pdd n VAL 21 Ca 0.10 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.73 2pdd n VAL 21 Cb 0.23 -1.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.95 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 0.54 0.81 0.00 5.55 7.27 -1.26 -4.50 117.38 125.79 2pdd n GLN 22 Ca 0.08 -3.09 0.00 0.00 0.07 0.00 0.00 57.00 54.06 2pdd n GLN 22 Cb 0.35 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.62 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 1.03 1.91 0.13 1.69 0.00 -1.26 -4.82 105.19 103.87 2pdd n GLY 23 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 1.24 -1.81 2.61 1.35 -1.96 -3.46 112.91 110.88 2pdd h THR 24 Ca 0.00 -2.55 0.09 0.00 -0.55 0.00 0.00 66.41 63.40 2pdd h THR 24 Cb 0.00 2.98 -0.20 0.00 -1.73 0.00 0.00 68.15 69.19 2pdd h THR 24 CO 0.00 0.76 -0.11 -0.83 -0.25 0.00 0.00 175.52 175.09 2pdd s GLY 25 N -4.71 -0.71 0.00 5.82 0.00 -1.25 -5.02 107.32 101.45 2pdd s GLY 25 Ca -0.14 2.36 -0.03 0.00 0.00 0.00 0.00 44.72 46.91 2pdd s GLY 25 CO 0.85 3.12 2.36 0.58 0.00 0.00 0.00 173.10 180.01 2pdd n LYS 26 N 5.41 1.23 0.00 2.90 2.85 -1.26 -3.13 118.16 126.15 2pdd n LYS 26 Ca -0.11 -0.47 0.00 0.00 -1.05 0.00 0.00 58.31 56.68 2pdd n LYS 26 Cb 0.50 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 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 2.25 0.00 0.00 -5.58 6.94 -1.26 -4.94 115.26 112.67 2pdd n ASN 27 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 2pdd n ASN 27 Cb 0.58 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 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 -0.27 2.13 4.83 0.00 -1.25 -0.83 105.19 109.81 2pdd n GLY 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.24 2.48 -2.96 1.61 5.12 -1.26 -4.65 116.66 115.77 2pdd n ARG 29 Ca 0.00 -3.23 -0.41 0.00 -1.93 0.00 0.00 57.85 52.28 2pdd n ARG 29 Cb 0.16 -2.19 -0.04 0.00 -1.16 0.00 0.00 32.46 29.22 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 -4.03 4.97 0.53 1.55 1.01 -0.01 -3.75 120.40 120.67 2pdd s VAL 30 Ca 0.58 1.56 0.04 0.00 0.00 0.00 0.00 61.98 64.17 2pdd s VAL 30 Cb 0.48 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2pdd s VAL 30 CO 0.04 0.16 0.74 -0.76 0.00 0.00 0.00 175.10 175.28 2pdd s LEU 31 N 1.36 3.33 0.23 3.92 1.02 -1.26 -4.90 118.68 122.38 2pdd s LEU 31 Ca 0.39 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 54.23 2pdd s LEU 31 Cb -0.18 -2.49 0.22 0.00 0.02 0.00 0.00 46.19 43.77 2pdd s LEU 31 CO 0.17 -1.15 1.56 0.50 0.02 0.00 0.00 176.35 177.45 2pdd h LYS 32 N 0.19 0.35 -0.00 1.70 3.64 -1.96 -2.20 116.57 118.29 2pdd h LYS 32 Ca -0.39 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2pdd h LYS 32 Cb 1.29 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2pdd h LYS 32 CO 0.46 0.82 -0.01 0.39 -2.27 0.00 0.00 179.45 178.84 2pdd n GLU 33 N -3.92 0.18 0.12 1.90 1.02 -1.26 -2.95 120.64 115.72 2pdd n GLU 33 Ca -0.03 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 2pdd n GLU 33 Cb 0.60 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.01 -0.26 0.43 1.62 1.82 -1.71 -2.78 116.42 115.55 2pdd h ASP 34 Ca 0.00 -0.18 -0.21 0.00 -0.39 0.00 0.00 57.03 56.25 2pdd h ASP 34 Cb 0.42 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 2pdd h ASP 34 CO 0.00 0.05 -0.88 0.40 -1.61 0.00 0.00 179.24 177.20 2pdd h ILE 35 N -0.58 1.43 -0.90 2.25 2.04 -1.54 -3.09 117.51 117.12 2pdd h ILE 35 Ca -0.03 -2.46 0.18 0.00 1.00 0.00 0.00 64.86 63.55 2pdd h ILE 35 Cb 0.42 2.39 -0.11 0.00 -0.74 0.00 0.00 36.82 38.78 2pdd h ILE 35 CO 0.05 0.73 0.47 -0.78 0.00 0.00 0.00 178.15 178.61 2pdd h ASP 36 N 0.19 0.53 0.31 1.72 3.58 -1.52 0.23 116.42 121.46 2pdd h ASP 36 Ca -0.06 0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 2pdd h ASP 36 Cb 1.50 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.58 2pdd h ASP 36 CO 0.14 0.16 -0.63 0.00 -2.88 0.00 0.00 179.24 176.03 2pdd h ALA 37 N 1.63 0.77 -0.29 -0.78 0.00 -1.47 -2.82 119.26 116.30 2pdd h ALA 37 Ca 0.52 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pdd h ALA 37 Cb 0.86 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2pdd h ALA 37 CO -0.42 0.74 -0.24 0.35 0.00 0.00 0.00 179.25 179.68 2pdd h PHE 38 N 0.22 -0.75 -0.17 0.00 3.57 -0.45 -1.70 116.94 117.67 2pdd h PHE 38 Ca -0.01 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 2pdd h PHE 38 Cb 1.16 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2pdd h PHE 38 CO 0.03 -0.18 -0.45 1.25 -2.23 0.00 0.00 178.31 176.73 2pdd h LEU 39 N -0.08 0.69 -0.93 0.59 5.85 -1.66 -3.26 115.31 116.51 2pdd h LEU 39 Ca 0.05 -0.58 0.25 0.00 0.84 0.00 0.00 57.88 58.43 2pdd h LEU 39 Cb 0.21 -0.20 -0.17 0.00 0.37 0.00 0.00 40.66 40.87 2pdd h LEU 39 CO -0.32 1.14 0.04 0.00 -0.34 0.00 0.00 178.44 178.97 2pdd h ALA 40 N 0.56 1.10 -1.05 1.25 0.00 -1.21 0.77 119.26 120.68 2pdd h ALA 40 Ca -0.01 0.31 0.29 0.00 0.00 0.00 0.00 54.91 55.50 2pdd h ALA 40 Cb 1.06 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 19.26 2pdd h ALA 40 CO 0.10 -0.53 0.64 0.78 0.00 0.00 0.00 179.25 180.24 2pdd h GLY 41 N 0.05 1.67 0.00 0.00 0.00 -1.36 -3.45 103.07 99.98 2pdd h GLY 41 Ca 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2pdd h GLY 41 CO -0.84 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 176.02 2pdd n GLY 42 N -1.38 1.88 0.00 4.60 0.00 0.27 -5.16 105.19 105.39 2pdd n GLY 42 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32