#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 3.86 -1.68 0.03 5.02 -1.26 -5.04 118.16 119.10 1aw6 n LYS 2 Ca 0.00 -4.19 -0.54 0.00 -2.02 0.00 0.00 58.31 51.56 1aw6 n LYS 2 Cb 0.00 -2.34 -0.06 0.00 -0.02 0.00 0.00 35.03 32.61 1aw6 n LYS 2 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1aw6 n LEU 3 N -0.33 2.43 -0.10 -0.35 -0.00 -1.26 -4.88 117.00 112.51 1aw6 n LEU 3 Ca 0.47 1.07 -0.18 0.00 -0.00 0.00 0.00 56.01 57.37 1aw6 n LEU 3 Cb 0.31 -1.20 -0.08 0.00 -0.00 0.00 0.00 43.42 42.44 1aw6 n LEU 3 CO 0.47 -0.50 -0.65 -0.11 -0.00 0.00 0.00 177.39 176.60 1aw6 n LEU 4 N 4.82 1.87 -0.92 1.47 -0.00 -1.26 -5.02 117.00 117.96 1aw6 n LEU 4 Ca 0.23 0.46 -0.07 0.00 -0.00 0.00 0.00 56.01 56.64 1aw6 n LEU 4 Cb 0.18 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.70 1aw6 n LEU 4 CO 0.74 0.09 -0.04 -1.54 -0.00 0.00 0.00 177.39 176.65 1aw6 n SER 5 N -4.45 -2.72 -0.83 1.96 3.41 -1.26 -4.92 113.62 104.81 1aw6 n SER 5 Ca -0.28 -0.05 0.04 0.00 -0.26 0.00 0.00 58.87 58.32 1aw6 n SER 5 Cb 0.60 -1.83 0.06 0.00 -0.26 0.00 0.00 64.21 62.77 1aw6 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aw6 n SER 6 N 0.62 0.97 0.00 4.04 3.41 -1.26 -5.10 113.62 116.29 1aw6 n SER 6 Ca -0.05 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1aw6 n SER 6 Cb 0.55 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1aw6 n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aw6 n ILE 7 N -0.19 0.00 -3.90 -1.33 0.00 -1.26 -5.05 119.36 107.63 1aw6 n ILE 7 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 62.75 62.52 1aw6 n ILE 7 Cb 0.86 0.00 -0.15 0.00 0.00 0.00 0.00 39.64 40.35 1aw6 n ILE 7 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1aw6 s GLU 8 N -4.37 1.28 0.07 9.51 -6.30 -1.26 -5.04 118.70 112.59 1aw6 s GLU 8 Ca 0.00 -1.32 -0.37 0.00 -2.50 0.00 0.00 54.97 50.78 1aw6 s GLU 8 Cb 0.00 -2.61 -0.17 0.00 0.00 0.00 0.00 34.13 31.35 1aw6 s GLU 8 CO 0.00 -0.84 1.30 0.94 0.02 0.00 0.00 175.26 176.68 1aw6 n GLN 9 N 4.58 0.96 -3.59 4.30 7.27 -1.26 -4.97 117.38 124.67 1aw6 n GLN 9 Ca -0.03 0.35 -0.11 0.00 0.07 0.00 0.00 57.00 57.27 1aw6 n GLN 9 Cb 0.43 -1.97 -0.06 0.00 2.41 0.00 0.00 30.24 31.05 1aw6 n GLN 9 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aw6 s ALA 10 N 0.46 -1.92 1.01 1.69 0.00 -1.26 -4.94 121.76 116.79 1aw6 s ALA 10 Ca 0.86 1.68 -0.16 0.00 0.00 0.00 0.00 51.96 54.34 1aw6 s ALA 10 Cb -1.01 -0.91 0.20 0.00 0.00 0.00 0.00 23.12 21.40 1aw6 s ALA 10 CO 0.49 -0.29 1.20 0.00 0.00 0.00 0.00 175.76 177.16 1aw6 h ASP 12 N -1.84 1.11 0.34 0.00 1.82 -1.77 -3.00 116.42 113.06 1aw6 h ASP 12 Ca -0.46 -0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.07 1aw6 h ASP 12 Cb 1.28 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 1aw6 h ASP 12 CO 0.45 0.81 -0.33 0.40 -1.61 0.00 0.00 179.24 178.97 1aw6 h ILE 13 N 1.30 1.22 0.08 2.25 1.08 -1.87 -2.52 117.51 119.05 1aw6 h ILE 13 Ca 0.35 -1.13 -0.25 0.00 -0.39 0.00 0.00 64.86 63.44 1aw6 h ILE 13 Cb -0.13 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1aw6 h ILE 13 CO -0.07 0.32 -1.12 0.00 -0.69 0.00 0.00 178.15 176.59 1aw6 h ARG 15 N 0.09 -0.48 0.04 0.00 3.08 -1.33 -0.72 114.38 115.07 1aw6 h ARG 15 Ca -0.10 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1aw6 h ARG 15 Cb 1.83 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.99 1aw6 h ARG 15 CO 0.18 -0.32 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.67 1aw6 h LEU 16 N -0.50 -0.05 -0.48 3.04 4.07 -1.59 -2.88 115.31 116.93 1aw6 h LEU 16 Ca -0.00 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1aw6 h LEU 16 Cb 0.50 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1aw6 h LEU 16 CO -0.20 0.24 0.00 0.11 -1.08 0.00 0.00 178.44 177.50 1aw6 h LYS 17 N -0.33 0.00 -5.37 1.13 1.79 -1.58 -3.48 116.57 108.73 1aw6 h LYS 17 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1aw6 h LYS 17 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1aw6 h LYS 17 CO 0.01 0.00 -0.12 1.63 -1.08 0.00 0.00 179.45 179.89 1aw6 n LYS 18 N -3.01 -1.54 -4.69 3.15 5.02 -0.30 -5.05 118.16 111.73 1aw6 n LYS 18 Ca 0.03 1.62 -0.31 0.00 -2.02 0.00 0.00 58.31 57.63 1aw6 n LYS 18 Cb 0.44 -5.70 -0.08 0.00 -0.02 0.00 0.00 35.03 29.67 1aw6 n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1aw6 s LEU 19 N -3.72 2.21 0.26 -0.35 1.02 -1.04 -5.06 118.68 112.00 1aw6 s LEU 19 Ca 0.05 -1.66 -0.12 0.00 0.02 0.00 0.00 54.13 52.42 1aw6 s LEU 19 Cb -0.01 -0.55 -0.08 0.00 0.02 0.00 0.00 46.19 45.57 1aw6 s LEU 19 CO 0.76 -0.88 0.63 -0.54 0.02 0.00 0.00 176.35 176.34 1aw6 s LYS 20 N -3.82 3.91 -0.48 1.70 -0.14 -1.26 -4.91 119.74 114.74 1aw6 s LYS 20 Ca 0.11 0.47 0.06 0.00 -1.36 0.00 0.00 55.97 55.24 1aw6 s LYS 20 Cb 0.02 -2.58 0.21 0.00 -1.68 0.00 0.00 37.83 33.79 1aw6 s LYS 20 CO 0.06 0.26 0.47 0.00 -0.76 0.00 0.00 175.35 175.39 1aw6 n SER 22 N 2.00 0.00 0.00 0.00 3.41 -1.26 -4.76 113.62 113.01 1aw6 n SER 22 Ca 0.26 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1aw6 n SER 22 Cb 0.47 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.85 0.00 -0.93 4.33 5.02 -1.26 -5.03 118.16 117.44 1aw6 n LYS 23 Ca 0.12 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 1aw6 n LYS 23 Cb 1.26 -1.72 0.08 0.00 -0.02 0.00 0.00 35.03 34.63 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 -2.04 -0.11 -4.01 1.97 0.28 -1.26 -4.89 120.64 110.59 1aw6 n GLU 24 Ca 0.00 -0.01 -0.11 0.00 -0.16 0.00 0.00 57.16 56.88 1aw6 n GLU 24 Cb 0.00 -1.43 -0.11 0.00 1.43 0.00 0.00 31.44 31.32 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 -2.74 0.37 0.12 3.44 1.02 -1.26 -3.02 119.74 117.66 1aw6 s LYS 25 Ca 0.50 -0.62 -0.16 0.00 0.02 0.00 0.00 55.97 55.71 1aw6 s LYS 25 Cb -0.21 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 1aw6 s LYS 25 CO 0.74 -0.01 1.58 -1.00 -0.92 0.00 0.00 175.35 175.74 1aw6 h PRO 26 N 4.69 0.64 -5.86 -1.68 0.13 -1.99 -3.48 132.00 124.45 1aw6 h PRO 26 Ca -0.33 -0.19 -0.63 0.00 -0.87 0.00 0.00 66.00 63.98 1aw6 h PRO 26 Cb 1.21 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 1aw6 h PRO 26 CO 0.42 0.72 -0.32 -1.59 -0.23 0.00 0.00 178.00 177.00 1aw6 s LYS 27 N -5.10 3.72 0.52 0.86 -2.85 -1.26 -4.90 119.74 110.73 1aw6 s LYS 27 Ca -0.13 0.18 -0.08 0.00 -1.00 0.00 0.00 55.97 54.94 1aw6 s LYS 27 Cb 0.10 -3.20 0.13 0.00 -2.06 0.00 0.00 37.83 32.80 1aw6 s LYS 27 CO 0.78 0.72 0.30 0.00 0.10 0.00 0.00 175.35 177.25 1aw6 h ALA 29 N -2.51 1.09 -1.09 0.00 0.00 -1.92 -3.11 119.26 111.71 1aw6 h ALA 29 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1aw6 h ALA 29 Cb 0.46 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1aw6 h ALA 29 CO 0.08 0.59 0.00 1.17 0.00 0.00 0.00 179.25 181.09 1aw6 n LYS 30 N -4.39 0.00 -0.27 0.00 3.00 -1.26 -1.92 118.16 113.32 1aw6 n LYS 30 Ca 0.09 0.61 -0.00 0.00 -0.00 0.00 0.00 58.31 59.01 1aw6 n LYS 30 Cb 0.09 -1.32 0.21 0.00 0.00 0.00 0.00 35.03 34.01 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 1.12 0.91 -1.30 0.00 6.46 -1.58 0.69 115.31 121.60 1aw6 h LEU 32 Ca 0.31 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1aw6 h LEU 32 Cb -0.12 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.57 1aw6 h LEU 32 CO -0.07 0.72 -0.31 0.11 -0.62 0.00 0.00 178.44 178.27 1aw6 h LYS 33 N 1.04 0.06 -0.14 1.25 1.57 -0.45 -3.16 116.57 116.73 1aw6 h LYS 33 Ca 0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1aw6 h LYS 33 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1aw6 h LYS 33 CO -0.05 0.37 0.00 0.09 -0.57 0.00 0.00 179.45 179.29 1aw6 n ASN 34 N -4.15 2.31 -3.54 0.86 4.13 -0.53 -5.03 115.26 109.31 1aw6 n ASN 34 Ca -0.02 -1.90 -0.39 0.00 1.68 0.00 0.00 54.58 53.96 1aw6 n ASN 34 Cb 0.37 -0.10 0.04 0.00 -1.54 0.00 0.00 39.78 38.55 1aw6 n ASN 34 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1aw6 n ASN 35 N 0.02 -5.43 -4.59 6.41 2.04 0.23 -5.00 115.26 108.93 1aw6 n ASN 35 Ca 0.05 -0.22 -0.31 0.00 -0.44 0.00 0.00 54.58 53.66 1aw6 n ASN 35 Cb 0.31 -1.62 -0.08 0.00 -2.53 0.00 0.00 39.78 35.85 1aw6 n ASN 35 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1aw6 s TRP 36 N -1.57 1.91 -0.94 -2.53 0.51 -0.62 -5.02 118.94 110.68 1aw6 s TRP 36 Ca 0.36 -1.00 -0.00 0.00 -2.12 0.00 0.00 56.10 53.33 1aw6 s TRP 36 Cb -0.04 -1.52 0.32 0.00 -0.81 0.00 0.00 33.47 31.42 1aw6 s TRP 36 CO 0.88 0.13 1.53 -1.91 -0.51 0.00 0.00 176.95 177.06 1aw6 n GLU 37 N -1.14 4.65 -1.37 4.98 2.13 -1.26 -4.87 120.64 123.76 1aw6 n GLU 37 Ca -0.14 -4.68 -0.53 0.00 0.66 0.00 0.00 57.16 52.47 1aw6 n GLU 37 Cb 0.67 -2.43 -0.10 0.00 0.27 0.00 0.00 31.44 29.85 1aw6 n GLU 37 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1aw6 s ARG 39 N 6.59 3.60 0.00 0.00 6.06 -1.26 -4.85 118.95 129.09 1aw6 s ARG 39 Ca 1.17 -0.09 0.00 0.00 -2.50 0.00 0.00 55.73 54.31 1aw6 s ARG 39 Cb -1.16 -2.98 0.00 0.00 0.06 0.00 0.00 34.95 30.87 1aw6 s ARG 39 CO 0.55 0.57 0.00 0.66 -2.50 0.00 0.00 175.30 174.58 1aw6 n TYR 40 N 0.61 0.00 -0.82 5.12 4.02 -1.26 -2.21 117.16 122.62 1aw6 n TYR 40 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1aw6 n TYR 40 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1aw6 n TYR 40 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1aw6 n SER 41 N -1.99 0.00 -0.51 7.72 3.41 -1.26 -4.87 113.62 116.11 1aw6 n SER 41 Ca 0.00 0.00 0.41 0.00 -0.26 0.00 0.00 58.87 59.02 1aw6 n SER 41 Cb 0.45 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.07 1aw6 n SER 41 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1aw6 n PRO 42 N -0.85 -0.02 0.00 4.33 -0.02 -1.26 -5.20 135.00 131.97 1aw6 n PRO 42 Ca 0.00 1.11 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1aw6 n PRO 42 Cb 0.00 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1aw6 n PRO 42 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84