#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ALA 3 N 0.00 -2.51 -2.26 -1.28 0.00 -1.26 -4.73 120.51 108.47 2pdd n ALA 3 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 2pdd n ALA 3 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.39 3.87 0.00 0.00 -1.94 -1.26 -4.93 119.30 113.66 2pdd s MET 4 Ca 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 2pdd s MET 4 Cb 0.00 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.33 2pdd s MET 4 CO 0.00 0.18 0.78 -0.35 -0.01 0.00 0.00 175.02 175.62 2pdd n PRO 5 N -0.49 0.47 -1.71 2.03 -0.04 -1.26 -2.98 135.00 131.02 2pdd n PRO 5 Ca 0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2pdd n PRO 5 Cb 0.53 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.43 -0.56 0.00 3.54 2.88 -1.26 -5.00 113.62 114.64 2pdd n SER 6 Ca 0.00 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 2pdd n SER 6 Cb 0.24 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2pdd n VAL 7 N -0.41 0.00 -0.08 2.46 0.31 -1.16 -4.68 118.33 114.77 2pdd n VAL 7 Ca -0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.10 2pdd n VAL 7 Cb 0.83 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.76 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 -0.12 -0.57 5.55 2.43 -1.93 -2.17 114.38 117.56 2pdd h ARG 8 Ca 0.00 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2pdd h ARG 8 Cb 0.00 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.47 2pdd h ARG 8 CO 0.00 -0.08 -0.10 1.57 -1.51 0.00 0.00 179.97 179.85 2pdd h LYS 9 N -0.13 0.03 -0.73 0.20 2.10 -1.93 0.13 116.57 116.24 2pdd h LYS 9 Ca 0.16 -0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.94 2pdd h LYS 9 Cb 0.37 -0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 31.60 2pdd h LYS 9 CO -0.39 0.02 0.29 -0.92 -2.00 0.00 0.00 179.45 176.45 2pdd h TYR 10 N 0.03 0.50 -0.77 0.07 5.03 -1.74 0.09 116.97 120.18 2pdd h TYR 10 Ca 0.28 0.04 0.14 0.00 2.58 0.00 0.00 58.73 61.77 2pdd h TYR 10 Cb 0.44 -0.11 -0.09 0.00 1.55 0.00 0.00 36.73 38.52 2pdd h TYR 10 CO -0.43 0.07 0.34 0.00 -1.32 0.00 0.00 178.16 176.82 2pdd h ALA 11 N 1.52 1.11 -0.69 1.82 0.00 -0.50 -0.51 119.26 122.01 2pdd h ALA 11 Ca 0.39 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.42 2pdd h ALA 11 Cb 0.58 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2pdd h ALA 11 CO -0.38 -0.17 0.45 0.00 0.00 0.00 0.00 179.25 179.14 2pdd h ARG 12 N 0.49 0.88 0.48 0.00 2.47 -0.65 -0.23 114.38 117.83 2pdd h ARG 12 Ca 0.42 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.08 2pdd h ARG 12 Cb 0.62 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 2pdd h ARG 12 CO -0.38 0.58 -0.52 0.93 0.56 0.00 0.00 179.97 181.14 2pdd h GLU 13 N 0.91 -0.97 -0.08 0.04 5.08 -0.76 -0.69 114.58 118.10 2pdd h GLU 13 Ca 0.26 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2pdd h GLU 13 Cb -0.07 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2pdd h GLU 13 CO -0.07 -0.65 0.00 1.63 -1.00 0.00 0.00 179.01 178.93 2pdd n LYS 14 N -5.56 0.76 -3.16 2.33 4.76 -1.06 -4.89 118.16 111.34 2pdd n LYS 14 Ca -0.12 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.18 2pdd n LYS 14 Cb 0.47 -1.04 0.01 0.00 -1.84 0.00 0.00 35.03 32.63 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 0.24 -1.01 3.14 0.72 0.00 -0.27 -5.03 105.19 102.99 2pdd n GLY 15 Ca 0.00 0.94 -0.12 0.00 0.00 0.00 0.00 46.02 46.83 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 -2.55 -0.02 -0.44 1.61 1.01 -0.19 -5.01 120.40 114.82 2pdd s VAL 16 Ca 0.17 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 2pdd s VAL 16 Cb -0.04 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2pdd s VAL 16 CO 0.80 0.03 1.00 -0.62 0.00 0.00 0.00 175.10 176.31 2pdd s ASP 17 N 0.68 6.60 0.33 3.32 2.15 -1.26 -4.36 116.67 124.14 2pdd s ASP 17 Ca -0.04 0.38 0.12 0.00 0.43 0.00 0.00 52.55 53.43 2pdd s ASP 17 Cb -0.06 -2.49 0.98 0.00 -0.30 0.00 0.00 42.92 41.06 2pdd s ASP 17 CO -0.04 -1.06 1.68 -0.29 -0.17 0.00 0.00 175.17 175.29 2pdd h ILE 18 N 6.05 0.38 0.13 4.11 2.10 -1.94 -1.41 117.51 126.93 2pdd h ILE 18 Ca -0.23 -0.14 0.02 0.00 1.08 0.00 0.00 64.86 65.59 2pdd h ILE 18 Cb 1.07 -0.05 -0.05 0.00 -1.09 0.00 0.00 36.82 36.70 2pdd h ILE 18 CO 1.05 0.07 -0.48 -0.09 -1.08 0.00 0.00 178.15 177.62 2pdd h ARG 19 N 0.40 -0.69 -0.96 2.19 2.43 -1.90 -1.16 114.38 114.68 2pdd h ARG 19 Ca 0.69 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 60.17 2pdd h ARG 19 Cb 1.47 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 31.12 2pdd h ARG 19 CO -0.57 -0.46 0.68 -0.07 -1.51 0.00 0.00 179.97 178.04 2pdd h LEU 20 N -0.72 0.11 -9.94 3.80 3.38 -1.67 -3.41 115.31 106.86 2pdd h LEU 20 Ca 0.01 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.46 2pdd h LEU 20 Cb 0.73 -0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.58 2pdd h LEU 20 CO -0.27 0.03 0.73 -0.69 0.09 0.00 0.00 178.44 178.33 2pdd s VAL 21 N -5.09 2.21 -0.40 1.22 1.01 -0.44 -4.95 120.40 113.96 2pdd s VAL 21 Ca -0.06 0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.24 2pdd s VAL 21 Cb 0.22 -3.13 0.38 0.00 0.00 0.00 0.00 36.38 33.85 2pdd s VAL 21 CO 0.78 0.04 0.84 1.67 0.00 0.00 0.00 175.10 178.44 2pdd n GLN 22 N 0.37 1.60 0.00 2.72 7.27 -1.26 -4.52 117.38 123.56 2pdd n GLN 22 Ca 0.02 -3.71 0.00 0.00 0.07 0.00 0.00 57.00 53.38 2pdd n GLN 22 Cb 0.40 -1.75 0.00 0.00 2.41 0.00 0.00 30.24 31.31 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 0.06 0.49 0.10 1.69 0.00 -1.26 -4.82 105.19 101.44 2pdd n GLY 23 Ca 0.24 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 1.49 -1.67 2.61 1.35 -1.94 -3.45 112.91 111.30 2pdd h THR 24 Ca 0.00 -1.70 0.02 0.00 -0.55 0.00 0.00 66.41 64.17 2pdd h THR 24 Cb 0.00 2.52 -0.23 0.00 -1.73 0.00 0.00 68.15 68.71 2pdd h THR 24 CO 0.00 0.47 -0.28 -0.83 -0.25 0.00 0.00 175.52 174.63 2pdd s GLY 25 N -3.71 -0.72 0.00 5.82 0.00 -1.26 -5.01 107.32 102.44 2pdd s GLY 25 Ca -0.16 1.78 0.00 0.00 0.00 0.00 0.00 44.72 46.35 2pdd s GLY 25 CO 0.73 3.02 1.25 0.58 0.00 0.00 0.00 173.10 178.68 2pdd n LYS 26 N 5.42 0.74 -3.64 2.90 2.85 -1.26 -3.66 118.16 121.51 2pdd n LYS 26 Ca -0.06 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.96 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 -1.71 -0.05 0.00 0.00 177.40 175.64 2pdd n ASN 27 N 1.32 2.61 0.04 -5.58 2.85 -1.26 -4.93 115.26 110.31 2pdd n ASN 27 Ca 0.00 -2.75 0.01 0.00 -0.11 0.00 0.00 54.58 51.74 2pdd n ASN 27 Cb 0.37 -0.05 0.07 0.00 1.24 0.00 0.00 39.78 41.41 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pdd n GLY 28 N -1.17 -0.34 2.52 8.20 0.00 -1.26 -1.14 105.19 112.00 2pdd n GLY 28 Ca -0.01 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.44 2.75 -1.66 1.61 5.12 -1.26 -4.84 116.66 116.95 2pdd n ARG 29 Ca -0.00 -3.42 -0.30 0.00 -1.93 0.00 0.00 57.85 52.20 2pdd n ARG 29 Cb 0.26 -2.28 0.06 0.00 -1.16 0.00 0.00 32.46 29.34 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 -4.92 3.53 0.48 1.55 1.01 -0.29 -4.58 120.40 117.18 2pdd s VAL 30 Ca 0.60 0.50 0.06 0.00 0.00 0.00 0.00 61.98 63.13 2pdd s VAL 30 Cb 0.48 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2pdd s VAL 30 CO -0.15 -0.65 0.26 -0.76 0.00 0.00 0.00 175.10 173.80 2pdd s LEU 31 N -5.58 2.88 0.03 3.92 1.02 -1.26 -5.02 118.68 114.67 2pdd s LEU 31 Ca 0.59 -1.18 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 2pdd s LEU 31 Cb -0.13 -1.32 -0.29 0.00 0.02 0.00 0.00 46.19 44.47 2pdd s LEU 31 CO 0.54 -0.81 1.06 0.50 0.02 0.00 0.00 176.35 177.66 2pdd h LYS 32 N 1.11 0.54 0.00 1.70 3.64 -1.95 -2.96 116.57 118.65 2pdd h LYS 32 Ca -0.40 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.24 2pdd h LYS 32 Cb 1.28 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 2pdd h LYS 32 CO 0.64 1.33 0.00 -1.91 -2.27 0.00 0.00 179.45 177.24 2pdd n GLU 33 N -3.91 0.26 0.23 1.90 0.00 -1.26 -3.06 120.64 114.80 2pdd n GLU 33 Ca -0.14 0.12 -0.13 0.00 0.00 0.00 0.00 57.16 57.01 2pdd n GLU 33 Cb 0.92 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.79 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 -0.52 0.09 4.31 1.82 -1.83 -3.04 116.42 117.26 2pdd h ASP 34 Ca 0.00 -0.09 -0.17 0.00 -0.39 0.00 0.00 57.03 56.38 2pdd h ASP 34 Cb 0.16 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 2pdd h ASP 34 CO 0.00 -0.14 -0.62 0.40 -1.61 0.00 0.00 179.24 177.27 2pdd h ILE 35 N -0.96 1.34 -0.91 2.25 5.03 -1.40 -3.09 117.51 119.76 2pdd h ILE 35 Ca -0.06 -1.92 0.22 0.00 -0.12 0.00 0.00 64.86 62.98 2pdd h ILE 35 Cb 0.58 1.89 -0.12 0.00 -3.03 0.00 0.00 36.82 36.14 2pdd h ILE 35 CO 0.10 0.59 0.44 0.44 -0.68 0.00 0.00 178.15 179.04 2pdd h ASP 36 N 0.38 0.41 0.11 1.72 5.19 -1.59 0.50 116.42 123.15 2pdd h ASP 36 Ca -0.01 0.15 -0.14 0.00 -0.62 0.00 0.00 57.03 56.41 2pdd h ASP 36 Cb 1.18 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 2pdd h ASP 36 CO 0.11 0.03 -0.49 0.00 -3.12 0.00 0.00 179.24 175.77 2pdd h ALA 37 N 1.70 0.85 -0.19 3.45 0.00 -1.46 -2.53 119.26 121.08 2pdd h ALA 37 Ca 0.57 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pdd h ALA 37 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2pdd h ALA 37 CO -0.51 0.67 0.00 0.34 0.00 0.00 0.00 179.25 179.75 2pdd n PHE 38 N -3.97 0.00 0.25 0.00 7.35 0.17 -3.31 117.46 117.95 2pdd n PHE 38 Ca -0.02 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.56 2pdd n PHE 38 Cb 0.56 -0.47 -0.05 0.00 0.35 0.00 0.00 39.48 39.87 2pdd n PHE 38 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2pdd h LEU 39 N 0.00 -0.58 -9.52 -2.13 5.85 -1.65 -3.45 115.31 103.83 2pdd h LEU 39 Ca 0.00 0.02 -0.47 0.00 0.84 0.00 0.00 57.88 58.27 2pdd h LEU 39 Cb 0.00 0.15 0.24 0.00 0.37 0.00 0.00 40.66 41.42 2pdd h LEU 39 CO 0.00 -0.21 -1.43 0.00 -0.34 0.00 0.00 178.44 176.46 2pdd n ALA 40 N -2.66 -4.47 -1.90 1.25 0.00 -0.95 -4.95 120.51 106.82 2pdd n ALA 40 Ca -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2pdd n ALA 40 Cb 0.27 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 2.35 0.91 3.13 0.00 0.00 -1.26 -4.78 105.19 105.53 2pdd n GLY 41 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.50 0.00 -0.02 0.00 -1.26 -5.23 105.19 98.18 2pdd n GLY 42 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32