#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 -0.32 -2.59 1.34 2.08 -1.26 -4.71 119.36 113.89 2pdd n ILE 2 Ca 0.00 0.53 -0.40 0.00 0.56 0.00 0.00 62.75 63.44 2pdd n ILE 2 Cb 0.00 -0.90 -0.05 0.00 -0.75 0.00 0.00 39.64 37.94 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 -3.79 3.37 0.00 -1.39 0.00 -1.26 -4.90 121.76 113.79 2pdd s ALA 3 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2pdd s ALA 3 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2pdd s ALA 3 CO 0.00 -0.03 0.00 -1.33 0.00 0.00 0.00 175.76 174.40 2pdd n MET 4 N 1.59 3.20 0.00 0.00 0.00 -1.26 -4.64 117.12 116.01 2pdd n MET 4 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 2pdd n MET 4 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.68 2pdd n MET 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2pdd n PRO 5 N -2.09 1.27 -1.32 0.03 -0.02 -1.26 -4.64 135.00 126.97 2pdd n PRO 5 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 2pdd n PRO 5 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.91 2pdd n PRO 5 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2pdd n SER 6 N 0.00 2.50 0.03 2.55 7.64 -1.26 -4.08 113.62 121.00 2pdd n SER 6 Ca 0.00 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.21 2pdd n SER 6 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 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 6.55 0.18 -0.26 0.44 0.31 -1.26 -4.75 118.33 119.55 2pdd n VAL 7 Ca 0.48 0.06 0.03 0.00 -0.01 0.00 0.00 64.34 64.90 2pdd n VAL 7 Cb 0.42 -0.64 0.25 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.97 -0.67 5.55 2.43 -1.83 -1.82 114.38 119.02 2pdd h ARG 8 Ca 0.00 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2pdd h ARG 8 Cb 0.00 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 29.26 2pdd h ARG 8 CO 0.00 0.64 0.29 0.87 -1.51 0.00 0.00 179.97 180.26 2pdd h LYS 9 N 1.00 0.48 -0.26 0.20 1.57 -1.88 -0.52 116.57 117.16 2pdd h LYS 9 Ca 0.34 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2pdd h LYS 9 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2pdd h LYS 9 CO -0.11 0.32 0.08 -0.92 -0.57 0.00 0.00 179.45 178.24 2pdd h TYR 10 N 0.49 0.14 -0.72 -1.35 5.03 -1.63 -1.49 116.97 117.44 2pdd h TYR 10 Ca 0.34 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.81 2pdd h TYR 10 Cb 0.41 -0.02 -0.10 0.00 1.55 0.00 0.00 36.73 38.57 2pdd h TYR 10 CO -0.14 0.06 0.23 0.00 -1.32 0.00 0.00 178.16 176.99 2pdd h ALA 11 N 1.17 0.96 -0.41 1.82 0.00 -0.95 0.02 119.26 121.87 2pdd h ALA 11 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2pdd h ALA 11 Cb 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2pdd h ALA 11 CO -0.13 -0.27 0.26 0.00 0.00 0.00 0.00 179.25 179.11 2pdd h ARG 12 N 0.35 0.55 -0.40 0.00 3.08 -0.42 2.29 114.38 119.83 2pdd h ARG 12 Ca 0.40 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.52 2pdd h ARG 12 Cb 0.62 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2pdd h ARG 12 CO -0.44 0.39 0.30 0.93 -1.07 0.00 0.00 179.97 180.08 2pdd h GLU 13 N 0.55 0.00 -0.01 0.04 5.08 -0.04 -1.00 114.58 119.20 2pdd h GLU 13 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2pdd h GLU 13 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2pdd h GLU 13 CO -0.03 0.00 -0.30 1.63 -1.00 0.00 0.00 179.01 179.31 2pdd n LYS 14 N -4.33 2.02 -2.70 2.33 4.76 -0.55 -5.05 118.16 114.64 2pdd n LYS 14 Ca 0.07 -0.62 -0.06 0.00 -2.87 0.00 0.00 58.31 54.83 2pdd n LYS 14 Cb 0.49 -1.16 0.01 0.00 -1.84 0.00 0.00 35.03 32.53 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 1.04 -1.59 3.10 0.72 0.00 0.76 -5.05 105.19 104.18 2pdd n GLY 15 Ca 0.05 1.05 -0.12 0.00 0.00 0.00 0.00 46.02 47.00 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 -2.34 -0.06 -0.71 1.61 1.01 -0.84 -4.99 120.40 114.08 2pdd s VAL 16 Ca 0.20 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 2pdd s VAL 16 Cb -0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2pdd s VAL 16 CO 0.70 0.06 1.84 -0.62 0.00 0.00 0.00 175.10 177.07 2pdd s ASP 17 N 1.36 5.32 0.35 3.32 -1.08 -1.26 -4.70 116.67 119.98 2pdd s ASP 17 Ca -0.09 -0.05 0.15 0.00 -0.52 0.00 0.00 52.55 52.05 2pdd s ASP 17 Cb -0.10 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 39.99 2pdd s ASP 17 CO -0.10 -2.42 1.58 -0.29 0.52 0.00 0.00 175.17 174.46 2pdd h ILE 18 N 6.94 0.03 0.51 4.11 2.10 -1.97 -0.52 117.51 128.70 2pdd h ILE 18 Ca -0.15 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 65.77 2pdd h ILE 18 Cb 1.11 -0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.82 2pdd h ILE 18 CO 1.23 0.01 -0.49 -0.09 -1.08 0.00 0.00 178.15 177.72 2pdd h ARG 19 N 0.03 -0.96 -0.04 2.19 9.65 -1.90 -1.54 114.38 121.81 2pdd h ARG 19 Ca 0.78 0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.73 2pdd h ARG 19 Cb 1.94 0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 30.73 2pdd h ARG 19 CO -0.79 -0.64 0.54 -0.07 2.80 0.00 0.00 179.97 181.81 2pdd h LEU 20 N -0.99 0.00 -9.85 3.80 3.38 -1.49 -3.41 115.31 106.74 2pdd h LEU 20 Ca -0.06 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 2pdd h LEU 20 Cb 0.86 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.66 2pdd h LEU 20 CO -0.05 0.00 0.61 -0.69 0.09 0.00 0.00 178.44 178.40 2pdd s VAL 21 N -4.10 2.88 -0.34 1.22 1.01 -0.58 -4.95 120.40 115.53 2pdd s VAL 21 Ca -0.02 0.87 0.15 0.00 0.00 0.00 0.00 61.98 62.98 2pdd s VAL 21 Cb 0.07 -3.55 0.42 0.00 0.00 0.00 0.00 36.38 33.32 2pdd s VAL 21 CO 0.22 0.20 0.95 1.67 0.00 0.00 0.00 175.10 178.13 2pdd n GLN 22 N 1.03 1.10 0.00 2.72 7.27 -1.26 -4.47 117.38 123.77 2pdd n GLN 22 Ca 0.00 -3.10 0.00 0.00 0.07 0.00 0.00 57.00 53.98 2pdd n GLN 22 Cb 0.42 -1.22 0.00 0.00 2.41 0.00 0.00 30.24 31.85 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 -0.02 -0.08 0.10 1.69 0.00 -1.26 -4.73 105.19 100.88 2pdd n GLY 23 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 1.57 -1.09 2.61 1.35 -1.91 -3.46 112.91 111.98 2pdd h THR 24 Ca 0.00 -2.47 0.11 0.00 -0.55 0.00 0.00 66.41 63.50 2pdd h THR 24 Cb 0.00 3.23 -0.21 0.00 -1.73 0.00 0.00 68.15 69.44 2pdd h THR 24 CO 0.00 0.68 -0.19 -0.83 -0.25 0.00 0.00 175.52 174.93 2pdd s GLY 25 N -4.40 -0.86 0.00 5.82 0.00 -1.22 -5.08 107.32 101.58 2pdd s GLY 25 Ca -0.16 2.07 0.00 0.00 0.00 0.00 0.00 44.72 46.63 2pdd s GLY 25 CO 0.78 3.37 0.00 0.58 0.00 0.00 0.00 173.10 177.83 2pdd n LYS 26 N 5.42 0.53 0.00 2.90 2.85 -1.26 -1.78 118.16 126.82 2pdd n LYS 26 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2pdd n LYS 26 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 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 -0.83 -1.71 -0.03 -5.58 6.94 -1.26 -1.97 115.26 110.84 2pdd n ASN 27 Ca 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 54.58 54.80 2pdd n ASN 27 Cb 0.00 0.00 0.70 0.00 -2.36 0.00 0.00 39.78 38.12 2pdd n ASN 27 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2pdd h GLY 28 N 0.00 0.00 -1.96 4.83 0.00 -1.90 -0.78 103.07 103.26 2pdd h GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pdd h GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2pdd n ARG 29 N -3.74 0.76 -3.29 4.80 5.12 -0.83 -4.60 116.66 114.88 2pdd n ARG 29 Ca 0.13 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.67 2pdd n ARG 29 Cb 0.86 -1.13 -0.06 0.00 -1.16 0.00 0.00 32.46 30.97 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 0.19 5.04 0.57 1.55 1.01 -0.30 -3.40 120.40 125.05 2pdd s VAL 30 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 61.98 63.12 2pdd s VAL 30 Cb 0.00 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.60 2pdd s VAL 30 CO 0.00 0.40 0.63 -0.76 0.00 0.00 0.00 175.10 175.38 2pdd s LEU 31 N 0.01 2.91 0.14 3.92 1.02 -1.26 -4.91 118.68 120.51 2pdd s LEU 31 Ca 0.28 -1.03 -0.06 0.00 0.02 0.00 0.00 54.13 53.34 2pdd s LEU 31 Cb -0.17 -1.42 -0.07 0.00 0.02 0.00 0.00 46.19 44.56 2pdd s LEU 31 CO 0.14 -1.26 1.34 0.50 0.02 0.00 0.00 176.35 177.09 2pdd h LYS 32 N 0.41 0.53 0.00 1.70 3.64 -1.94 -2.65 116.57 118.25 2pdd h LYS 32 Ca -0.32 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 2pdd h LYS 32 Cb 1.30 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2pdd h LYS 32 CO 0.48 1.11 0.00 0.39 -2.27 0.00 0.00 179.45 179.16 2pdd n GLU 33 N -3.83 0.11 0.27 1.90 1.02 -1.26 -3.09 120.64 115.75 2pdd n GLU 33 Ca -0.06 0.10 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 2pdd n GLU 33 Cb 0.77 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.00 -0.59 0.21 1.62 1.82 -1.77 -2.97 116.42 114.73 2pdd h ASP 34 Ca 0.00 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.51 2pdd h ASP 34 Cb 0.32 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 2pdd h ASP 34 CO 0.00 -0.23 -0.29 0.40 -1.61 0.00 0.00 179.24 177.51 2pdd h ILE 35 N -1.00 1.24 -0.95 2.25 2.04 -1.34 -2.56 117.51 117.19 2pdd h ILE 35 Ca -0.07 -1.14 0.17 0.00 1.00 0.00 0.00 64.86 64.82 2pdd h ILE 35 Cb 0.62 1.51 -0.10 0.00 -0.74 0.00 0.00 36.82 38.10 2pdd h ILE 35 CO 0.12 0.34 0.55 0.44 0.00 0.00 0.00 178.15 179.59 2pdd h ASP 36 N 0.13 0.69 0.32 1.72 5.19 -1.47 0.24 116.42 123.24 2pdd h ASP 36 Ca 0.02 0.10 -0.15 0.00 -0.62 0.00 0.00 57.03 56.38 2pdd h ASP 36 Cb 0.59 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2pdd h ASP 36 CO 0.04 0.26 -0.60 0.00 -3.12 0.00 0.00 179.24 175.82 2pdd h ALA 37 N 1.62 0.83 -0.03 3.45 0.00 -1.30 -1.74 119.26 122.09 2pdd h ALA 37 Ca 0.54 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pdd h ALA 37 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pdd h ALA 37 CO -0.38 0.72 -0.03 0.35 0.00 0.00 0.00 179.25 179.91 2pdd h PHE 38 N 0.21 -0.10 0.12 0.00 3.57 -0.40 -3.22 116.94 117.11 2pdd h PHE 38 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2pdd h PHE 38 Cb 1.10 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2pdd h PHE 38 CO 0.02 -0.03 -0.06 1.25 -2.23 0.00 0.00 178.31 177.27 2pdd h LEU 39 N -0.02 -0.14 0.00 0.59 5.85 -1.65 -3.47 115.31 116.47 2pdd h LEU 39 Ca 0.00 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2pdd h LEU 39 Cb 0.04 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2pdd h LEU 39 CO -0.04 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.53 2pdd n ALA 40 N -2.58 0.00 1.29 1.25 0.00 -0.65 -1.27 120.51 118.55 2pdd n ALA 40 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2pdd n ALA 40 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 0.30 3.83 0.00 0.00 -1.26 -4.83 105.19 103.23 2pdd n GLY 41 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2pdd n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pdd s GLY 42 N -0.58 1.65 0.00 -0.02 0.00 -0.39 -5.28 107.32 102.70 2pdd s GLY 42 Ca 0.00 -0.85 0.20 0.00 0.00 0.00 0.00 44.72 44.07 2pdd s GLY 42 CO 0.00 -0.18 1.57 0.00 0.00 0.00 0.00 173.10 174.48