#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 3.21 0.66 -1.39 0.00 -1.26 -4.89 121.76 118.09 2pdd s ALA 3 Ca 0.00 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 50.26 2pdd s ALA 3 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2pdd s ALA 3 CO 0.00 -1.77 1.21 0.00 0.00 0.00 0.00 175.76 175.19 2pdd s MET 4 N -5.39 2.55 1.38 0.00 0.23 -1.26 -4.92 119.30 111.90 2pdd s MET 4 Ca 0.69 1.78 -0.23 0.00 -1.03 0.00 0.00 55.69 56.90 2pdd s MET 4 Cb -0.05 -1.88 0.35 0.00 -1.53 0.00 0.00 34.83 31.72 2pdd s MET 4 CO 0.47 -1.52 0.80 -0.35 -2.03 0.00 0.00 175.02 172.39 2pdd n PRO 5 N -2.19 -4.53 0.00 3.16 -0.04 -1.26 -3.36 135.00 126.78 2pdd n PRO 5 Ca 0.13 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 2pdd n PRO 5 Cb 0.50 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -5.38 0.00 -0.09 3.54 3.41 -1.26 -4.65 113.62 109.19 2pdd n SER 6 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 2pdd n SER 6 Cb 0.55 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.49 1.48 -0.10 -3.33 0.31 -1.21 -4.17 118.33 109.82 2pdd n VAL 7 Ca 0.00 0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.39 2pdd n VAL 7 Cb 0.00 -2.23 0.31 0.00 -0.91 0.00 0.00 33.84 31.01 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 -1.00 0.76 -0.78 5.55 2.43 -1.83 -2.30 114.38 117.22 2pdd h ARG 8 Ca -0.18 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.00 2pdd h ARG 8 Cb 1.00 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 2pdd h ARG 8 CO -0.11 0.55 0.44 0.87 -1.51 0.00 0.00 179.97 180.21 2pdd h LYS 9 N 0.77 0.74 -0.21 0.20 1.79 -1.92 -1.17 116.57 116.76 2pdd h LYS 9 Ca 0.20 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.65 2pdd h LYS 9 Cb 0.00 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 2pdd h LYS 9 CO -0.03 0.49 0.07 -0.92 -1.08 0.00 0.00 179.45 177.97 2pdd h TYR 10 N 0.76 0.13 -0.85 -1.35 5.03 -1.58 -1.94 116.97 117.17 2pdd h TYR 10 Ca 0.37 0.01 0.19 0.00 2.58 0.00 0.00 58.73 61.88 2pdd h TYR 10 Cb 0.30 -0.03 -0.11 0.00 1.55 0.00 0.00 36.73 38.44 2pdd h TYR 10 CO -0.07 0.06 0.36 0.00 -1.32 0.00 0.00 178.16 177.19 2pdd h ALA 11 N 1.13 1.30 -0.66 1.82 0.00 -1.15 0.86 119.26 122.57 2pdd h ALA 11 Ca 0.09 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2pdd h ALA 11 Cb 0.06 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2pdd h ALA 11 CO -0.10 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.27 2pdd h ARG 12 N 0.43 0.75 0.04 0.00 3.08 -0.73 0.33 114.38 118.27 2pdd h ARG 12 Ca 0.51 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.54 2pdd h ARG 12 Cb 0.89 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2pdd h ARG 12 CO -0.48 0.50 -0.20 0.93 -1.07 0.00 0.00 179.97 179.65 2pdd h GLU 13 N 0.77 -0.33 -0.00 0.04 5.08 -0.56 -0.70 114.58 118.88 2pdd h GLU 13 Ca 0.27 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2pdd h GLU 13 Cb 0.05 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2pdd h GLU 13 CO -0.12 -0.22 0.00 1.63 -1.00 0.00 0.00 179.01 179.30 2pdd n LYS 14 N -5.33 1.03 -3.10 2.33 4.76 -1.03 -4.93 118.16 111.89 2pdd n LYS 14 Ca -0.05 -0.04 -0.03 0.00 -2.87 0.00 0.00 58.31 55.32 2pdd n LYS 14 Cb 0.24 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 0.99 -1.24 2.92 0.72 0.00 0.10 -5.03 105.19 103.65 2pdd n GLY 15 Ca 0.23 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.96 -0.00 -0.50 1.61 1.01 -0.36 -5.01 120.40 114.19 2pdd s VAL 16 Ca 0.02 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 2pdd s VAL 16 Cb -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.31 2pdd s VAL 16 CO 0.76 0.01 0.92 -0.62 0.00 0.00 0.00 175.10 176.17 2pdd s ASP 17 N 0.12 6.41 0.32 3.32 -1.08 -1.26 -4.52 116.67 119.98 2pdd s ASP 17 Ca -0.01 -0.13 0.10 0.00 -0.52 0.00 0.00 52.55 51.99 2pdd s ASP 17 Cb -0.01 -2.44 0.92 0.00 -1.46 0.00 0.00 42.92 39.93 2pdd s ASP 17 CO -0.00 -1.13 1.69 -0.29 0.52 0.00 0.00 175.17 175.96 2pdd h ILE 18 N 6.04 0.40 -0.28 4.11 2.10 -1.96 -1.14 117.51 126.79 2pdd h ILE 18 Ca -0.25 -0.14 0.05 0.00 1.08 0.00 0.00 64.86 65.60 2pdd h ILE 18 Cb 1.08 -0.04 -0.08 0.00 -1.09 0.00 0.00 36.82 36.69 2pdd h ILE 18 CO 1.05 0.07 -0.45 -0.09 -1.08 0.00 0.00 178.15 177.65 2pdd h ARG 19 N 0.40 -0.41 -0.82 2.19 9.65 -1.92 -0.34 114.38 123.13 2pdd h ARG 19 Ca 0.66 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.72 2pdd h ARG 19 Cb 1.37 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.99 2pdd h ARG 19 CO -0.56 -0.27 0.54 -0.07 2.80 0.00 0.00 179.97 182.41 2pdd h LEU 20 N -0.42 0.50 -9.77 3.80 3.38 -1.62 -3.42 115.31 107.76 2pdd h LEU 20 Ca 0.10 0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.53 2pdd h LEU 20 Cb 0.61 -0.07 0.11 0.00 0.09 0.00 0.00 40.66 41.40 2pdd h LEU 20 CO -0.50 0.25 0.57 0.52 0.09 0.00 0.00 178.44 179.37 2pdd n VAL 21 N -4.51 1.90 -2.86 1.22 0.31 -0.14 -4.93 118.33 109.32 2pdd n VAL 21 Ca 0.16 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 2pdd n VAL 21 Cb 0.52 -1.64 0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 0.68 1.19 0.00 5.55 6.02 -1.26 -4.82 117.38 124.74 2pdd n GLN 22 Ca 0.05 -3.37 0.00 0.00 -0.01 0.00 0.00 57.00 53.66 2pdd n GLN 22 Cb 0.36 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 0.05 -0.11 0.00 1.08 0.00 -1.26 -4.90 105.19 100.05 2pdd n GLY 23 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.02 2.61 -2.24 -1.26 -4.62 114.28 108.79 2pdd n THR 24 Ca 0.00 0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 62.12 2pdd n THR 24 Cb 0.00 -1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 66.76 2pdd n THR 24 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pdd h GLY 25 N 0.00 0.03 -6.32 3.38 0.00 -1.93 -3.45 103.07 94.78 2pdd h GLY 25 Ca 0.00 0.02 -0.41 0.00 0.00 0.00 0.00 47.33 46.94 2pdd h GLY 25 CO 0.00 -0.02 -0.60 0.58 0.00 0.00 0.00 176.54 176.50 2pdd n LYS 26 N -5.12 -1.84 -0.02 4.80 2.85 -1.26 -4.75 118.16 112.81 2pdd n LYS 26 Ca -0.06 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2pdd n LYS 26 Cb 0.06 -4.74 0.00 0.00 -0.65 0.00 0.00 35.03 29.70 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 -2.17 0.00 0.00 -5.58 6.94 -1.26 -4.96 115.26 108.23 2pdd n ASN 27 Ca 0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 2pdd n ASN 27 Cb 0.48 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 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 -0.29 2.44 4.83 0.00 -1.26 -1.42 105.19 109.49 2pdd n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.26 3.29 -1.44 1.61 5.12 -1.26 -4.31 116.66 118.41 2pdd n ARG 29 Ca 0.00 -4.38 -0.32 0.00 -1.93 0.00 0.00 57.85 51.23 2pdd n ARG 29 Cb 0.10 -2.18 0.08 0.00 -1.16 0.00 0.00 32.46 29.29 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 -5.25 3.29 0.44 1.55 1.01 -0.51 -4.16 120.40 116.76 2pdd s VAL 30 Ca 0.47 0.48 0.08 0.00 0.00 0.00 0.00 61.98 63.01 2pdd s VAL 30 Cb 0.40 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 2pdd s VAL 30 CO -0.15 -0.48 0.47 -0.76 0.00 0.00 0.00 175.10 174.18 2pdd s LEU 31 N -5.54 3.41 0.07 3.92 1.02 -1.26 -4.94 118.68 115.36 2pdd s LEU 31 Ca 0.63 -0.68 -0.13 0.00 0.02 0.00 0.00 54.13 53.97 2pdd s LEU 31 Cb -0.18 -2.16 -0.24 0.00 0.02 0.00 0.00 46.19 43.63 2pdd s LEU 31 CO 0.51 -0.76 1.17 0.50 0.02 0.00 0.00 176.35 177.78 2pdd h LYS 32 N 0.83 0.64 0.00 1.70 3.64 -1.96 -2.88 116.57 118.53 2pdd h LYS 32 Ca -0.40 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.23 2pdd h LYS 32 Cb 1.27 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2pdd h LYS 32 CO 0.52 1.33 0.00 0.39 -2.27 0.00 0.00 179.45 179.42 2pdd n GLU 33 N -3.81 0.24 0.27 1.90 1.02 -1.26 -2.95 120.64 116.05 2pdd n GLU 33 Ca -0.12 0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2pdd n GLU 33 Cb 0.92 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.60 0.26 1.62 1.82 -1.82 -2.95 116.42 114.75 2pdd h ASP 34 Ca 0.00 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.58 2pdd h ASP 34 Cb 0.21 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2pdd h ASP 34 CO 0.00 -0.34 -0.35 0.40 -1.61 0.00 0.00 179.24 177.35 2pdd h ILE 35 N -0.90 1.27 -0.94 2.25 2.04 -1.45 -2.77 117.51 117.01 2pdd h ILE 35 Ca -0.07 -1.29 0.18 0.00 1.00 0.00 0.00 64.86 64.67 2pdd h ILE 35 Cb 0.55 1.61 -0.10 0.00 -0.74 0.00 0.00 36.82 38.13 2pdd h ILE 35 CO 0.12 0.38 0.53 -0.78 0.00 0.00 0.00 178.15 178.40 2pdd h ASP 36 N 0.12 0.66 0.54 1.72 3.58 -1.53 0.12 116.42 121.63 2pdd h ASP 36 Ca 0.01 0.10 -0.19 0.00 0.42 0.00 0.00 57.03 57.38 2pdd h ASP 36 Cb 0.67 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 2pdd h ASP 36 CO 0.05 0.23 -0.82 0.00 -2.88 0.00 0.00 179.24 175.83 2pdd h ALA 37 N 1.62 0.59 -0.01 -0.78 0.00 -1.31 -2.99 119.26 116.38 2pdd h ALA 37 Ca 0.54 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pdd h ALA 37 Cb 0.83 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2pdd h ALA 37 CO -0.39 0.88 -0.01 0.35 0.00 0.00 0.00 179.25 180.08 2pdd h PHE 38 N 0.12 -0.02 -0.01 0.00 3.57 -0.62 0.12 116.94 120.10 2pdd h PHE 38 Ca -0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2pdd h PHE 38 Cb 1.42 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.17 2pdd h PHE 38 CO 0.03 -0.01 0.00 1.25 -2.23 0.00 0.00 178.31 177.35 2pdd h LEU 39 N -0.00 0.02 -0.02 0.59 5.85 -1.69 -2.35 115.31 117.70 2pdd h LEU 39 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2pdd h LEU 39 Cb 0.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2pdd h LEU 39 CO -0.01 0.28 0.24 0.00 -0.34 0.00 0.00 178.44 178.61 2pdd n ALA 40 N -2.23 0.53 -0.20 1.25 0.00 -1.09 -2.52 120.51 116.25 2pdd n ALA 40 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2pdd n ALA 40 Cb 0.15 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 2pdd n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pdd h GLY 41 N 0.00 -0.55 0.00 0.00 0.00 -0.40 -3.31 103.07 98.81 2pdd h GLY 41 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2pdd h GLY 41 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.00 2pdd n GLY 42 N -1.40 -0.06 2.97 4.60 0.00 -1.05 -5.13 105.19 105.12 2pdd n GLY 42 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32