#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd s ALA 3 N 0.00 2.18 0.53 -1.39 0.00 -1.26 -4.87 121.76 116.95 2pdd s ALA 3 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 2pdd s ALA 3 Cb 0.00 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 2pdd s ALA 3 CO 0.00 -2.28 1.16 -1.64 0.00 0.00 0.00 175.76 173.00 2pdd s MET 4 N -5.68 3.39 -0.85 0.00 -1.94 -1.26 -4.82 119.30 108.13 2pdd s MET 4 Ca 0.69 1.70 -0.27 0.00 -1.71 0.00 0.00 55.69 56.10 2pdd s MET 4 Cb -0.08 -2.10 -0.24 0.00 2.01 0.00 0.00 34.83 34.42 2pdd s MET 4 CO 0.52 -0.84 1.96 -0.35 -0.01 0.00 0.00 175.02 176.30 2pdd n PRO 5 N -1.14 0.42 0.00 2.03 -0.04 -1.26 -2.14 135.00 132.88 2pdd n PRO 5 Ca 0.11 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 2pdd n PRO 5 Cb 0.50 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 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 15.96 0.00 -0.11 3.54 3.41 -1.26 -4.98 113.62 130.17 2pdd n SER 6 Ca 0.44 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.79 2pdd n SER 6 Cb 0.45 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pdd n VAL 7 N 0.00 1.55 -0.18 -3.33 0.31 -0.91 -4.09 118.33 111.68 2pdd n VAL 7 Ca 0.00 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 2pdd n VAL 7 Cb 0.00 -1.86 0.01 0.00 -0.91 0.00 0.00 33.84 31.08 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 -0.78 0.83 -0.88 5.55 2.43 -1.93 -2.62 114.38 116.98 2pdd h ARG 8 Ca -0.55 -0.22 0.16 0.00 -0.81 0.00 0.00 59.98 58.56 2pdd h ARG 8 Cb 1.59 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.97 2pdd h ARG 8 CO -0.27 0.82 0.57 0.87 -1.51 0.00 0.00 179.97 180.45 2pdd h LYS 9 N 0.71 0.59 -0.04 0.20 1.57 -1.91 0.05 116.57 117.75 2pdd h LYS 9 Ca 0.16 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2pdd h LYS 9 Cb 0.38 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2pdd h LYS 9 CO 0.01 0.39 0.02 -0.92 -0.57 0.00 0.00 179.45 178.38 2pdd h TYR 10 N 0.60 0.05 -0.84 -1.35 5.03 -1.62 -0.02 116.97 118.83 2pdd h TYR 10 Ca 0.45 -0.00 0.18 0.00 2.58 0.00 0.00 58.73 61.94 2pdd h TYR 10 Cb 0.84 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 39.00 2pdd h TYR 10 CO -0.00 0.10 0.36 0.00 -1.32 0.00 0.00 178.16 177.30 2pdd h ALA 11 N 0.95 1.26 -0.19 1.82 0.00 -0.92 -0.51 119.26 121.66 2pdd h ALA 11 Ca 0.01 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2pdd h ALA 11 Cb 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pdd h ALA 11 CO -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.03 2pdd h ARG 12 N 0.46 0.33 -0.56 0.00 3.08 -0.75 0.63 114.38 117.57 2pdd h ARG 12 Ca 0.49 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.55 2pdd h ARG 12 Cb 0.81 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.72 2pdd h ARG 12 CO -0.45 0.50 -0.18 0.93 -1.07 0.00 0.00 179.97 179.70 2pdd h GLU 13 N 0.11 -0.04 0.15 0.04 4.39 0.63 -2.36 114.58 117.50 2pdd h GLU 13 Ca 0.06 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.45 2pdd h GLU 13 Cb 0.34 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2pdd h GLU 13 CO 0.01 -0.03 -1.49 1.57 -1.16 0.00 0.00 179.01 177.91 2pdd h LYS 14 N -0.04 0.31 0.00 2.33 2.10 -1.40 -3.49 116.57 116.38 2pdd h LYS 14 Ca 0.27 -0.54 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2pdd h LYS 14 Cb 0.45 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2pdd h LYS 14 CO -0.60 1.21 0.00 0.41 -2.00 0.00 0.00 179.45 178.47 2pdd n GLY 15 N 1.67 0.76 3.12 0.07 0.00 0.21 -5.11 105.19 105.90 2pdd n GLY 15 Ca -0.16 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.71 -0.03 -0.60 1.61 1.01 -0.30 -5.00 120.40 116.37 2pdd s VAL 16 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 2pdd s VAL 16 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 2pdd s VAL 16 CO 0.00 0.05 1.51 -0.62 0.00 0.00 0.00 175.10 176.04 2pdd s ASP 17 N 1.13 5.92 0.40 3.32 -1.08 -1.26 -4.56 116.67 120.53 2pdd s ASP 17 Ca -0.08 0.19 0.24 0.00 -0.52 0.00 0.00 52.55 52.38 2pdd s ASP 17 Cb -0.09 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.15 2pdd s ASP 17 CO -0.08 -1.90 1.62 -0.29 0.52 0.00 0.00 175.17 175.05 2pdd h ILE 18 N 6.45 0.14 -0.05 4.11 2.10 -1.95 -0.37 117.51 127.94 2pdd h ILE 18 Ca -0.27 -0.04 0.03 0.00 1.08 0.00 0.00 64.86 65.66 2pdd h ILE 18 Cb 1.10 0.00 -0.06 0.00 -1.09 0.00 0.00 36.82 36.78 2pdd h ILE 18 CO 1.20 0.02 -0.48 -0.09 -1.08 0.00 0.00 178.15 177.73 2pdd h ARG 19 N 0.13 -0.57 0.00 2.19 2.43 -1.92 -0.32 114.38 116.32 2pdd h ARG 19 Ca 0.80 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 60.01 2pdd h ARG 19 Cb 2.27 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.94 2pdd h ARG 19 CO -0.54 -0.38 0.00 1.28 -1.51 0.00 0.00 179.97 178.82 2pdd n LEU 20 N -5.45 0.45 -4.76 3.80 4.77 -0.15 -4.67 117.00 110.99 2pdd n LEU 20 Ca -0.06 0.71 -0.40 0.00 -0.03 0.00 0.00 56.01 56.23 2pdd n LEU 20 Cb 0.38 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 2pdd n LEU 20 CO 0.13 -0.86 0.76 -0.69 -1.33 0.00 0.00 177.39 175.40 2pdd s VAL 21 N -3.44 3.59 -0.36 4.08 1.01 -0.13 -4.97 120.40 120.18 2pdd s VAL 21 Ca -0.02 1.60 0.14 0.00 0.00 0.00 0.00 61.98 63.70 2pdd s VAL 21 Cb 0.05 -4.02 0.40 0.00 0.00 0.00 0.00 36.38 32.81 2pdd s VAL 21 CO 0.16 0.38 0.93 0.00 0.00 0.00 0.00 175.10 176.56 2pdd n GLN 22 N 1.22 1.07 0.00 2.72 6.02 -1.26 -4.33 117.38 122.82 2pdd n GLN 22 Ca -0.01 -3.02 0.00 0.00 -0.01 0.00 0.00 57.00 53.96 2pdd n GLN 22 Cb 0.45 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.44 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 0.06 0.66 0.14 1.08 0.00 -1.26 -4.71 105.19 101.15 2pdd n GLY 23 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 1.42 -0.83 2.61 1.35 -1.93 -3.46 112.91 112.06 2pdd h THR 24 Ca 0.00 -2.38 0.19 0.00 -0.55 0.00 0.00 66.41 63.67 2pdd h THR 24 Cb 0.00 2.88 -0.24 0.00 -1.73 0.00 0.00 68.15 69.06 2pdd h THR 24 CO 0.00 0.69 0.25 -0.83 -0.25 0.00 0.00 175.52 175.39 2pdd s GLY 25 N -4.33 -0.15 0.00 5.82 0.00 -1.20 -5.08 107.32 102.39 2pdd s GLY 25 Ca -0.12 3.10 0.00 0.00 0.00 0.00 0.00 44.72 47.69 2pdd s GLY 25 CO 0.86 3.31 0.00 0.58 0.00 0.00 0.00 173.10 177.85 2pdd n LYS 26 N 4.96 0.48 0.00 2.90 2.85 -1.26 -2.30 118.16 125.79 2pdd n LYS 26 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2pdd n LYS 26 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 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 -0.80 -1.15 -0.28 -5.58 0.23 -1.26 -2.16 115.26 104.25 2pdd n ASN 27 Ca 0.00 0.00 0.32 0.00 -0.53 0.00 0.00 54.58 54.37 2pdd n ASN 27 Cb 0.00 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.42 2pdd n ASN 27 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2pdd h GLY 28 N 0.00 0.14 -2.57 4.83 0.00 -1.89 -1.39 103.07 102.19 2pdd h GLY 28 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2pdd h GLY 28 CO 0.00 -0.01 0.00 0.54 0.00 0.00 0.00 176.54 177.07 2pdd n ARG 29 N -4.26 0.72 -3.79 4.80 5.12 -0.92 -4.28 116.66 114.05 2pdd n ARG 29 Ca 0.23 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.78 2pdd n ARG 29 Cb 1.11 -1.14 -0.06 0.00 -1.16 0.00 0.00 32.46 31.21 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 0.41 5.41 0.54 1.55 1.01 -0.53 -3.21 120.40 125.58 2pdd s VAL 30 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.38 2pdd s VAL 30 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.95 2pdd s VAL 30 CO 0.00 0.60 0.46 -0.76 0.00 0.00 0.00 175.10 175.40 2pdd s LEU 31 N -0.94 2.80 0.14 3.92 1.02 -1.26 -4.93 118.68 119.43 2pdd s LEU 31 Ca 0.16 -1.16 -0.04 0.00 0.02 0.00 0.00 54.13 53.12 2pdd s LEU 31 Cb -0.13 -1.31 -0.07 0.00 0.02 0.00 0.00 46.19 44.70 2pdd s LEU 31 CO 0.06 -1.11 1.32 0.50 0.02 0.00 0.00 176.35 177.14 2pdd h LYS 32 N 0.69 0.40 0.00 1.70 3.64 -1.94 -2.81 116.57 118.25 2pdd h LYS 32 Ca -0.36 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 2pdd h LYS 32 Cb 1.30 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2pdd h LYS 32 CO 0.55 1.08 0.00 0.39 -2.27 0.00 0.00 179.45 179.20 2pdd n GLU 33 N -3.76 0.05 0.31 1.90 1.02 -1.26 -2.91 120.64 115.99 2pdd n GLU 33 Ca -0.06 0.07 -0.15 0.00 -0.02 0.00 0.00 57.16 57.00 2pdd n GLU 33 Cb 0.81 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.66 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 -0.67 0.55 1.62 1.82 -1.82 -2.95 116.42 114.97 2pdd h ASP 34 Ca 0.00 -0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.51 2pdd h ASP 34 Cb 0.39 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 2pdd h ASP 34 CO 0.00 -0.32 -0.47 0.40 -1.61 0.00 0.00 179.24 177.24 2pdd h ILE 35 N -1.06 1.27 -0.92 2.25 2.04 -1.52 -2.90 117.51 116.66 2pdd h ILE 35 Ca -0.08 -1.66 0.13 0.00 1.00 0.00 0.00 64.86 64.25 2pdd h ILE 35 Cb 0.67 1.91 -0.09 0.00 -0.74 0.00 0.00 36.82 38.57 2pdd h ILE 35 CO 0.13 0.46 0.54 -0.78 0.00 0.00 0.00 178.15 178.51 2pdd h ASP 36 N 0.00 0.75 0.30 1.72 3.58 -1.48 0.58 116.42 121.87 2pdd h ASP 36 Ca -0.00 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 2pdd h ASP 36 Cb 0.87 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2pdd h ASP 36 CO 0.06 0.37 -0.63 0.00 -2.88 0.00 0.00 179.24 176.16 2pdd h ALA 37 N 1.54 0.76 -0.08 -0.78 0.00 -1.34 -2.62 119.26 116.74 2pdd h ALA 37 Ca 0.47 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2pdd h ALA 37 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2pdd h ALA 37 CO -0.30 0.74 -0.07 0.35 0.00 0.00 0.00 179.25 179.97 2pdd h PHE 38 N 0.23 -0.22 0.26 0.00 3.57 -0.77 -3.24 116.94 116.79 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 1.16 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2pdd h PHE 38 CO 0.03 -0.05 -0.13 1.25 -2.23 0.00 0.00 178.31 177.18 2pdd h LEU 39 N -0.03 -0.30 -8.16 0.59 7.12 -1.65 -3.39 115.31 109.49 2pdd h LEU 39 Ca 0.01 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.98 2pdd h LEU 39 Cb 0.06 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 2pdd h LEU 39 CO -0.09 -0.06 0.43 0.00 -0.13 0.00 0.00 178.44 178.59 2pdd n ALA 40 N -2.42 0.42 -0.65 1.25 0.00 -0.99 -4.59 120.51 113.53 2pdd n ALA 40 Ca -0.04 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.86 2pdd n ALA 40 Cb 0.14 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.76 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 6.11 -0.27 1.39 0.00 0.00 -1.26 -4.60 105.19 106.58 2pdd n GLY 41 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 2.61 0.84 0.00 -0.02 0.00 -1.26 -5.16 105.19 102.19 2pdd n GLY 42 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.54 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32