#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw6 n LYS 2 N 0.00 -2.94 -0.80 3.17 4.81 -1.26 -4.94 118.16 116.20 1aw6 n LYS 2 Ca 0.00 2.41 0.00 0.00 -0.87 0.00 0.00 58.31 59.85 1aw6 n LYS 2 Cb 0.00 -4.25 0.00 0.00 0.02 0.00 0.00 35.03 30.80 1aw6 n LYS 2 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1aw6 n LEU 3 N 0.78 -3.28 -4.16 3.14 7.99 -1.26 -4.96 117.00 115.26 1aw6 n LEU 3 Ca -0.11 1.44 -0.35 0.00 -0.01 0.00 0.00 56.01 56.98 1aw6 n LEU 3 Cb 0.16 -0.84 -0.13 0.00 -0.11 0.00 0.00 43.42 42.50 1aw6 n LEU 3 CO 0.33 -0.14 -0.33 -0.76 -1.51 0.00 0.00 177.39 174.98 1aw6 s LEU 4 N -1.80 4.14 0.00 2.23 1.43 -1.26 -5.02 118.68 118.40 1aw6 s LEU 4 Ca 0.00 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 1aw6 s LEU 4 Cb 0.00 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1aw6 s LEU 4 CO 0.00 -0.31 0.00 -1.20 0.23 0.00 0.00 176.35 175.07 1aw6 n SER 5 N 4.60 -6.85 -4.02 2.29 7.64 -1.26 -4.73 113.62 111.29 1aw6 n SER 5 Ca -0.11 0.93 -0.31 0.00 1.01 0.00 0.00 58.87 60.39 1aw6 n SER 5 Cb 0.43 -2.66 -0.15 0.00 -1.01 0.00 0.00 64.21 60.82 1aw6 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1aw6 s SER 6 N -5.65 4.71 0.00 6.43 1.04 -1.26 -5.00 113.70 113.97 1aw6 s SER 6 Ca 0.00 -2.04 0.00 0.00 0.48 0.00 0.00 55.95 54.39 1aw6 s SER 6 Cb 0.00 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.52 1aw6 s SER 6 CO 0.00 -0.35 0.00 -0.38 0.98 0.00 0.00 173.24 173.49 1aw6 n ILE 7 N 4.29 0.00 -3.57 -1.02 2.08 -1.26 -5.18 119.36 114.69 1aw6 n ILE 7 Ca 0.01 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.30 1aw6 n ILE 7 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.26 1aw6 n ILE 7 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1aw6 s GLU 8 N -1.67 0.44 0.74 0.38 1.03 -1.26 -5.02 118.70 113.34 1aw6 s GLU 8 Ca 0.00 0.90 -0.16 0.00 0.03 0.00 0.00 54.97 55.74 1aw6 s GLU 8 Cb 0.00 0.32 -0.07 0.00 -0.80 0.00 0.00 34.13 33.58 1aw6 s GLU 8 CO 0.00 -0.12 0.18 1.04 -1.33 0.00 0.00 175.26 175.03 1aw6 n GLN 9 N 4.45 0.15 -3.65 -4.83 3.00 -1.26 -5.03 117.38 110.22 1aw6 n GLN 9 Ca -0.15 0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 56.89 1aw6 n GLN 9 Cb 0.55 -1.54 -0.07 0.00 0.00 0.00 0.00 30.24 29.18 1aw6 n GLN 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aw6 s ALA 10 N -1.98 -2.26 0.99 -1.58 0.00 -1.26 -5.04 121.76 110.63 1aw6 s ALA 10 Ca 0.59 1.69 -0.15 0.00 0.00 0.00 0.00 51.96 54.09 1aw6 s ALA 10 Cb -0.34 -1.80 0.19 0.00 0.00 0.00 0.00 23.12 21.16 1aw6 s ALA 10 CO 0.64 -0.11 1.16 0.00 0.00 0.00 0.00 175.76 177.46 1aw6 h ASP 12 N -1.80 0.49 0.17 0.00 1.82 -1.73 -3.13 116.42 112.24 1aw6 h ASP 12 Ca -0.48 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 55.85 1aw6 h ASP 12 Cb 1.31 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1aw6 h ASP 12 CO 0.51 0.89 -0.26 0.40 -1.61 0.00 0.00 179.24 179.16 1aw6 h ILE 13 N 0.37 1.23 0.05 2.25 1.08 -1.89 -2.66 117.51 117.94 1aw6 h ILE 13 Ca 0.02 -1.08 -0.23 0.00 -0.39 0.00 0.00 64.86 63.18 1aw6 h ILE 13 Cb 0.96 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 1aw6 h ILE 13 CO 0.08 0.32 -1.05 0.00 -0.69 0.00 0.00 178.15 176.82 1aw6 h ARG 15 N 0.07 -0.46 0.23 0.00 -0.00 -1.43 -0.91 114.38 111.88 1aw6 h ARG 15 Ca -0.07 0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 1aw6 h ARG 15 Cb 1.75 0.11 0.00 0.00 0.00 0.00 0.00 29.97 31.83 1aw6 h ARG 15 CO 0.16 -0.31 -0.11 -0.07 0.00 0.00 0.00 179.97 179.64 1aw6 h LEU 16 N -0.48 -0.26 -0.87 3.04 3.38 -1.58 -2.86 115.31 115.69 1aw6 h LEU 16 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1aw6 h LEU 16 Cb 0.49 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1aw6 h LEU 16 CO -0.19 0.02 0.00 0.11 0.09 0.00 0.00 178.44 178.47 1aw6 h LYS 17 N -0.55 0.00 -5.42 1.13 1.79 -1.59 -3.47 116.57 108.45 1aw6 h LYS 17 Ca -0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1aw6 h LYS 17 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1aw6 h LYS 17 CO 0.05 0.00 -0.15 1.63 -1.08 0.00 0.00 179.45 179.90 1aw6 n LYS 18 N -3.08 -1.53 -4.08 3.15 5.02 -0.37 -5.05 118.16 112.22 1aw6 n LYS 18 Ca 0.02 1.58 -0.25 0.00 -2.02 0.00 0.00 58.31 57.65 1aw6 n LYS 18 Cb 0.39 -5.57 -0.05 0.00 -0.02 0.00 0.00 35.03 29.78 1aw6 n LYS 18 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1aw6 n LEU 19 N -1.52 0.00 -4.85 -0.35 4.32 -1.05 -5.06 117.00 108.49 1aw6 n LEU 19 Ca 0.01 -2.52 -0.34 0.00 -0.02 0.00 0.00 56.01 53.14 1aw6 n LEU 19 Cb 0.50 0.39 -0.06 0.00 -1.62 0.00 0.00 43.42 42.63 1aw6 n LEU 19 CO 0.53 -0.36 0.30 -1.59 -1.22 0.00 0.00 177.39 175.04 1aw6 s LYS 20 N -3.41 3.99 -0.44 3.23 0.00 -1.26 -4.93 119.74 116.92 1aw6 s LYS 20 Ca 0.03 0.54 0.07 0.00 0.00 0.00 0.00 55.97 56.62 1aw6 s LYS 20 Cb 0.00 -2.76 0.24 0.00 0.00 0.00 0.00 37.83 35.32 1aw6 s LYS 20 CO 0.02 0.36 0.55 0.00 0.00 0.00 0.00 175.35 176.28 1aw6 n SER 22 N 1.40 0.00 0.00 0.00 3.41 -1.26 -4.77 113.62 112.40 1aw6 n SER 22 Ca 0.23 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1aw6 n SER 22 Cb 0.50 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1aw6 n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1aw6 n LYS 23 N -3.11 0.00 -1.01 4.33 5.02 -1.26 -5.03 118.16 117.10 1aw6 n LYS 23 Ca 0.21 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.14 1aw6 n LYS 23 Cb 1.44 -1.80 0.06 0.00 -0.02 0.00 0.00 35.03 34.72 1aw6 n LYS 23 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1aw6 n GLU 24 N -2.31 -0.04 -4.01 1.97 0.28 -1.26 -4.89 120.64 110.38 1aw6 n GLU 24 Ca 0.00 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.89 1aw6 n GLU 24 Cb 0.00 -1.37 -0.13 0.00 1.43 0.00 0.00 31.44 31.37 1aw6 n GLU 24 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1aw6 s LYS 25 N -2.48 0.29 0.06 3.44 1.02 -1.26 -3.26 119.74 117.55 1aw6 s LYS 25 Ca 0.51 -0.36 -0.21 0.00 0.02 0.00 0.00 55.97 55.93 1aw6 s LYS 25 Cb -0.25 -0.12 -0.12 0.00 -0.52 0.00 0.00 37.83 36.82 1aw6 s LYS 25 CO 0.73 0.02 1.47 -1.00 -0.92 0.00 0.00 175.35 175.65 1aw6 h PRO 26 N 5.38 0.31 -5.62 -1.68 0.13 -1.99 -3.48 132.00 125.04 1aw6 h PRO 26 Ca -0.29 -0.11 -0.59 0.00 -0.87 0.00 0.00 66.00 64.13 1aw6 h PRO 26 Cb 1.20 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1aw6 h PRO 26 CO 0.46 0.56 -0.28 0.15 -0.23 0.00 0.00 178.00 178.66 1aw6 s LYS 27 N -4.85 4.19 0.84 0.86 1.02 -1.26 -4.86 119.74 115.68 1aw6 s LYS 27 Ca -0.14 0.20 -0.13 0.00 0.02 0.00 0.00 55.97 55.92 1aw6 s LYS 27 Cb 0.06 -3.39 0.20 0.00 -0.52 0.00 0.00 37.83 34.18 1aw6 s LYS 27 CO 0.73 0.31 0.45 0.00 -0.92 0.00 0.00 175.35 175.92 1aw6 h ALA 29 N -2.80 1.01 -0.87 0.00 0.00 -1.94 -3.12 119.26 111.55 1aw6 h ALA 29 Ca -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1aw6 h ALA 29 Cb 0.70 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1aw6 h ALA 29 CO 0.12 0.58 0.00 1.17 0.00 0.00 0.00 179.25 181.13 1aw6 n LYS 30 N -4.35 0.00 -0.25 0.00 3.00 -1.26 -1.89 118.16 113.40 1aw6 n LYS 30 Ca 0.07 0.72 -0.04 0.00 -0.00 0.00 0.00 58.31 59.06 1aw6 n LYS 30 Cb 0.14 -1.36 0.07 0.00 0.00 0.00 0.00 35.03 33.89 1aw6 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aw6 h LEU 32 N 0.92 0.51 -0.35 0.00 7.12 -1.55 0.70 115.31 122.64 1aw6 h LEU 32 Ca 0.27 -0.01 -0.12 0.00 0.13 0.00 0.00 57.88 58.15 1aw6 h LEU 32 Cb -0.05 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 39.94 1aw6 h LEU 32 CO -0.08 0.37 -0.55 0.11 -0.13 0.00 0.00 178.44 178.15 1aw6 h LYS 33 N 0.60 0.00 -0.22 1.25 1.57 -0.51 -3.14 116.57 116.11 1aw6 h LYS 33 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1aw6 h LYS 33 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1aw6 h LYS 33 CO -0.04 0.55 0.00 0.09 -0.57 0.00 0.00 179.45 179.49 1aw6 n ASN 34 N -3.38 2.53 -3.16 0.86 3.02 -0.68 -5.04 115.26 109.41 1aw6 n ASN 34 Ca 0.01 -1.88 -0.17 0.00 -0.03 0.00 0.00 54.58 52.51 1aw6 n ASN 34 Cb 0.69 -0.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.73 1aw6 n ASN 34 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1aw6 n ASN 35 N 0.33 -6.71 -4.26 6.41 2.85 0.23 -5.04 115.26 109.07 1aw6 n ASN 35 Ca 0.08 0.37 -0.25 0.00 -0.11 0.00 0.00 54.58 54.67 1aw6 n ASN 35 Cb 0.35 -3.09 -0.09 0.00 1.24 0.00 0.00 39.78 38.20 1aw6 n ASN 35 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1aw6 s TRP 36 N -1.67 1.83 -0.87 1.20 0.51 -0.49 -5.00 118.94 114.45 1aw6 s TRP 36 Ca 0.21 -1.17 0.01 0.00 -2.12 0.00 0.00 56.10 53.02 1aw6 s TRP 36 Cb -0.03 -1.23 0.30 0.00 -0.81 0.00 0.00 33.47 31.70 1aw6 s TRP 36 CO 0.64 -0.18 1.30 -1.91 -0.51 0.00 0.00 176.95 176.30 1aw6 n GLU 37 N -0.88 4.04 -1.27 4.98 0.00 -1.26 -4.80 120.64 121.45 1aw6 n GLU 37 Ca -0.06 -4.67 -0.45 0.00 0.00 0.00 0.00 57.16 51.98 1aw6 n GLU 37 Cb 0.66 -2.39 -0.12 0.00 0.00 0.00 0.00 31.44 29.58 1aw6 n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1aw6 s ARG 39 N 7.04 3.33 -0.08 0.00 3.52 -1.26 -4.80 118.95 126.69 1aw6 s ARG 39 Ca 1.18 -1.95 0.19 0.00 -0.13 0.00 0.00 55.73 55.01 1aw6 s ARG 39 Cb -1.24 -4.42 0.67 0.00 -1.56 0.00 0.00 34.95 28.41 1aw6 s ARG 39 CO 0.51 -1.41 1.57 0.66 -0.81 0.00 0.00 175.30 175.82 1aw6 n TYR 40 N 5.10 1.31 -2.69 5.12 4.01 -1.26 -1.93 117.16 126.81 1aw6 n TYR 40 Ca 0.03 -0.55 -0.36 0.00 -0.16 0.00 0.00 57.90 56.87 1aw6 n TYR 40 Cb 0.44 -0.18 -0.06 0.00 -0.31 0.00 0.00 39.34 39.24 1aw6 n TYR 40 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1aw6 s SER 41 N -0.90 7.00 0.36 7.72 0.15 -1.26 -4.97 113.70 121.79 1aw6 s SER 41 Ca 0.48 1.89 0.23 0.00 0.70 0.00 0.00 55.95 59.26 1aw6 s SER 41 Cb 0.30 -2.57 0.37 0.00 -1.71 0.00 0.00 66.02 62.40 1aw6 s SER 41 CO 0.26 -0.31 1.54 1.55 1.20 0.00 0.00 173.24 177.48 1aw6 h PRO 42 N 2.60 0.00 0.00 5.44 0.13 -2.04 -3.51 132.00 134.62 1aw6 h PRO 42 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1aw6 h PRO 42 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1aw6 h PRO 42 CO 0.63 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.03