#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk8 s ASN 3 N 8.55 6.01 0.13 0.00 0.02 0.18 -4.80 114.94 125.03 1bk8 s ASN 3 Ca 0.77 -0.10 -0.30 0.00 -1.02 0.00 0.00 52.86 52.20 1bk8 s ASN 3 Cb -0.16 -2.55 -0.07 0.00 0.02 0.00 0.00 41.25 38.49 1bk8 s ASN 3 CO 0.25 -1.88 1.15 -0.70 0.02 0.00 0.00 177.10 175.94 1bk8 s GLU 4 N 5.87 4.51 0.02 -0.60 2.12 -1.26 -0.61 118.70 128.75 1bk8 s GLU 4 Ca 0.45 1.76 0.04 0.00 0.36 0.00 0.00 54.97 57.59 1bk8 s GLU 4 Cb -0.09 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 1bk8 s GLU 4 CO 0.19 -0.09 -0.13 0.50 -0.54 0.00 0.00 175.26 175.19 1bk8 s ARG 5 N 0.23 0.93 1.07 4.30 3.52 0.55 -4.98 118.95 124.57 1bk8 s ARG 5 Ca 0.54 -0.63 -0.18 0.00 -0.13 0.00 0.00 55.73 55.33 1bk8 s ARG 5 Cb -0.30 -0.91 0.26 0.00 -1.56 0.00 0.00 34.95 32.44 1bk8 s ARG 5 CO 0.33 0.23 1.19 -0.35 -0.81 0.00 0.00 175.30 175.89 1bk8 n PRO 6 N 2.22 -2.12 -1.00 5.12 -0.04 -1.26 -0.66 135.00 137.26 1bk8 n PRO 6 Ca -0.17 -1.86 -0.46 0.00 -0.04 0.00 0.00 63.50 60.97 1bk8 n PRO 6 Cb 0.55 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 1bk8 n PRO 6 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bk8 n SER 7 N -4.30 0.61 0.00 3.54 3.41 -0.77 -4.54 113.62 111.58 1bk8 n SER 7 Ca 0.16 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1bk8 n SER 7 Cb 0.57 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1bk8 n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bk8 n GLN 8 N 5.34 0.00 0.15 4.33 1.13 -1.26 -4.76 117.38 122.31 1bk8 n GLN 8 Ca 0.39 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.47 1bk8 n GLN 8 Cb -0.03 0.00 0.19 0.00 0.11 0.00 0.00 30.24 30.51 1bk8 n GLN 8 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1bk8 h THR 9 N 0.00 1.12 0.00 5.09 1.35 -1.96 -3.28 112.91 115.23 1bk8 h THR 9 Ca 0.00 -2.02 -0.57 0.00 -0.55 0.00 0.00 66.41 63.27 1bk8 h THR 9 Cb 0.00 2.18 0.02 0.00 -1.73 0.00 0.00 68.15 68.61 1bk8 h THR 9 CO 0.00 0.52 2.80 1.87 -0.25 0.00 0.00 175.52 180.47 1bk8 n TRP 10 N -3.53 2.10 -1.48 4.73 -0.00 -1.26 -4.83 117.44 113.17 1bk8 n TRP 10 Ca -0.00 -2.28 -0.40 0.00 -0.00 0.00 0.00 57.50 54.82 1bk8 n TRP 10 Cb 0.62 -1.98 -0.02 0.00 -0.00 0.00 0.00 31.31 29.94 1bk8 n TRP 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1bk8 n SER 11 N 5.53 7.82 0.00 5.87 7.64 -1.24 -4.66 113.62 134.59 1bk8 n SER 11 Ca 0.53 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1bk8 n SER 11 Cb 0.28 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 1bk8 n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bk8 n GLY 12 N 3.44 1.38 3.77 0.23 0.00 -1.26 -5.13 105.19 107.62 1bk8 n GLY 12 Ca 0.72 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 46.52 1bk8 n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 13 N 2.00 5.59 0.85 1.61 2.47 -1.26 -4.70 114.94 121.50 1bk8 s ASN 13 Ca 0.00 0.11 -0.14 0.00 0.42 0.00 0.00 52.86 53.25 1bk8 s ASN 13 Cb 0.00 -1.58 0.03 0.00 -1.45 0.00 0.00 41.25 38.26 1bk8 s ASN 13 CO 0.00 0.26 0.69 0.00 -3.72 0.00 0.00 177.10 174.33 1bk8 n GLY 15 N 1.23 -0.00 3.02 0.00 0.00 -1.26 -4.99 105.19 103.19 1bk8 n GLY 15 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1bk8 n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 16 N -5.00 0.03 0.44 1.61 3.84 -1.26 -5.04 114.94 109.56 1bk8 s ASN 16 Ca 0.00 0.53 0.13 0.00 0.21 0.00 0.00 52.86 53.73 1bk8 s ASN 16 Cb 0.00 0.50 0.98 0.00 -0.55 0.00 0.00 41.25 42.18 1bk8 s ASN 16 CO 0.00 -0.20 2.01 0.00 -2.79 0.00 0.00 177.10 176.12 1bk8 h THR 17 N 6.07 1.11 -0.12 -5.21 1.03 -1.97 0.88 112.91 114.70 1bk8 h THR 17 Ca -0.29 -0.50 0.02 0.00 -0.01 0.00 0.00 66.41 65.63 1bk8 h THR 17 Cb 1.14 1.14 -0.02 0.00 -1.07 0.00 0.00 68.15 69.34 1bk8 h THR 17 CO 0.27 0.15 0.00 0.00 -0.01 0.00 0.00 175.52 175.94 1bk8 h ALA 18 N 1.80 0.10 -0.59 0.00 0.00 -1.96 0.72 119.26 119.33 1bk8 h ALA 18 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1bk8 h ALA 18 Cb 0.23 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1bk8 h ALA 18 CO 0.01 -0.45 0.28 1.25 0.00 0.00 0.00 179.25 180.34 1bk8 h HIS 19 N 0.04 0.86 -0.62 0.00 6.17 -1.71 -1.84 115.15 118.06 1bk8 h HIS 19 Ca 0.05 -0.05 0.12 0.00 0.71 0.00 0.00 60.37 61.21 1bk8 h HIS 19 Cb 0.06 -0.26 -0.09 0.00 2.52 0.00 0.00 27.41 29.63 1bk8 h HIS 19 CO -0.13 0.66 0.10 0.00 0.71 0.00 0.00 177.93 179.26 1bk8 h ASP 21 N 0.22 0.64 0.07 0.00 3.58 -0.53 -1.55 116.42 118.84 1bk8 h ASP 21 Ca 0.33 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.60 1bk8 h ASP 21 Cb 0.51 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1bk8 h ASP 21 CO -0.45 0.66 -0.16 0.11 -2.88 0.00 0.00 179.24 176.52 1bk8 h LYS 22 N 0.58 -0.29 -0.19 0.28 1.57 -0.48 -3.13 116.57 114.91 1bk8 h LYS 22 Ca 0.15 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1bk8 h LYS 22 Cb 0.24 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1bk8 h LYS 22 CO -0.01 -0.19 0.07 0.37 -0.57 0.00 0.00 179.45 179.12 1bk8 h GLN 23 N -0.30 0.17 -0.10 3.15 5.75 0.16 0.50 115.11 124.44 1bk8 h GLN 23 Ca 0.03 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1bk8 h GLN 23 Cb 0.33 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1bk8 h GLN 23 CO -0.11 0.11 0.01 0.00 -2.65 0.00 0.00 178.83 176.19 1bk8 h GLN 25 N 0.13 0.16 0.00 0.00 4.20 -0.82 0.21 115.11 118.99 1bk8 h GLN 25 Ca 0.03 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1bk8 h GLN 25 Cb 0.08 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1bk8 h GLN 25 CO 0.00 0.96 -0.37 -0.44 -0.67 0.00 0.00 178.83 178.32 1bk8 h ASP 26 N 0.04 0.00 0.09 1.46 5.19 0.27 -3.35 116.42 120.12 1bk8 h ASP 26 Ca -0.23 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1bk8 h ASP 26 Cb 1.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.49 1bk8 h ASP 26 CO 0.13 0.79 -0.04 -0.50 -3.12 0.00 0.00 179.24 176.50 1bk8 h TRP 27 N -1.00 -0.11 -0.39 4.55 4.06 -0.96 -3.45 115.95 118.65 1bk8 h TRP 27 Ca -0.05 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1bk8 h TRP 27 Cb 0.49 0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1bk8 h TRP 27 CO -0.04 -0.07 0.00 0.39 -3.56 0.00 0.00 178.44 175.16 1bk8 n GLU 28 N -4.30 1.74 -2.71 0.49 -0.58 -1.20 -5.05 120.64 109.02 1bk8 n GLU 28 Ca -0.02 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.65 1bk8 n GLU 28 Cb 0.05 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.02 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bk8 n LYS 29 N 0.00 1.02 -1.43 3.49 4.01 -0.44 -4.42 118.16 120.40 1bk8 n LYS 29 Ca 0.00 -1.80 -0.30 0.00 -0.51 0.00 0.00 58.31 55.70 1bk8 n LYS 29 Cb 0.00 -0.59 0.10 0.00 -0.51 0.00 0.00 35.03 34.03 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bk8 s ALA 30 N 0.23 2.11 0.20 7.82 0.00 -0.07 -4.87 121.76 127.17 1bk8 s ALA 30 Ca 0.21 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1bk8 s ALA 30 Cb 0.32 -3.15 0.20 0.00 0.00 0.00 0.00 23.12 20.49 1bk8 s ALA 30 CO -0.07 -1.85 1.80 0.77 0.00 0.00 0.00 175.76 176.41 1bk8 h SER 31 N -1.18 0.48 -0.83 0.00 0.02 -0.46 -3.41 113.55 108.17 1bk8 h SER 31 Ca -0.47 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1bk8 h SER 31 Cb 1.26 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1bk8 h SER 31 CO 0.57 0.32 0.04 0.00 -1.14 0.00 0.00 176.83 176.61 1bk8 n HIS 32 N -4.83 -0.75 -4.16 3.45 1.44 -0.82 -4.95 115.22 104.60 1bk8 n HIS 32 Ca 0.07 -0.11 -0.10 0.00 -2.01 0.00 0.00 57.72 55.57 1bk8 n HIS 32 Cb 0.16 0.05 -0.10 0.00 0.12 0.00 0.00 29.99 30.22 1bk8 n HIS 32 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1bk8 s GLY 33 N -1.77 1.06 -0.28 -1.39 0.00 -1.24 -0.78 107.32 102.91 1bk8 s GLY 33 Ca 0.02 -1.51 -0.22 0.00 0.00 0.00 0.00 44.72 43.01 1bk8 s GLY 33 CO 0.01 -1.38 1.02 0.00 0.00 0.00 0.00 173.10 172.75 1bk8 s ALA 34 N -4.02 -2.07 0.35 3.20 0.00 0.41 -4.01 121.76 115.61 1bk8 s ALA 34 Ca 0.26 1.98 -0.25 0.00 0.00 0.00 0.00 51.96 53.94 1bk8 s ALA 34 Cb 0.07 -1.53 -0.10 0.00 0.00 0.00 0.00 23.12 21.56 1bk8 s ALA 34 CO 0.03 -0.27 0.97 0.00 0.00 0.00 0.00 175.76 176.50 1bk8 s HIS 36 N -1.66 0.01 -0.02 0.00 3.76 0.27 -4.88 115.29 112.78 1bk8 s HIS 36 Ca 0.53 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 55.14 1bk8 s HIS 36 Cb -0.19 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.42 1bk8 s HIS 36 CO 0.24 -0.21 0.80 0.21 -0.85 0.00 0.00 174.74 174.94 1bk8 s LYS 37 N -0.94 4.49 -0.07 1.40 2.20 -1.26 -0.32 119.74 125.24 1bk8 s LYS 37 Ca -0.10 1.09 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 1bk8 s LYS 37 Cb -0.06 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1bk8 s LYS 37 CO 0.01 0.07 0.17 1.03 -0.36 0.00 0.00 175.35 176.27 1bk8 s ARG 38 N 0.71 0.17 -1.67 4.03 1.81 -0.09 -4.89 118.95 119.03 1bk8 s ARG 38 Ca 0.42 0.29 -0.14 0.00 -1.72 0.00 0.00 55.73 54.59 1bk8 s ARG 38 Cb -0.19 0.01 0.13 0.00 -0.45 0.00 0.00 34.95 34.45 1bk8 s ARG 38 CO 0.22 -0.07 0.59 0.39 -0.68 0.00 0.00 175.30 175.76 1bk8 n GLU 39 N 3.39 -2.46 -1.61 3.54 4.71 -1.26 -0.30 120.64 126.65 1bk8 n GLU 39 Ca -0.17 0.30 -0.20 0.00 -0.01 0.00 0.00 57.16 57.08 1bk8 n GLU 39 Cb 0.57 -4.75 -0.09 0.00 -1.01 0.00 0.00 31.44 26.17 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1bk8 n ASN 40 N -2.70 -5.46 -4.19 1.62 5.15 -1.26 -4.98 115.26 103.43 1bk8 n ASN 40 Ca -0.03 0.49 -0.34 0.00 -0.60 0.00 0.00 54.58 54.10 1bk8 n ASN 40 Cb 0.54 -4.75 -0.15 0.00 -0.53 0.00 0.00 39.78 34.89 1bk8 n ASN 40 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1bk8 s HIS 41 N -2.76 2.87 -0.52 1.20 3.76 0.59 -5.08 115.29 115.35 1bk8 s HIS 41 Ca 0.00 -1.43 -0.28 0.00 -0.15 0.00 0.00 55.06 53.20 1bk8 s HIS 41 Cb 0.00 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.71 1bk8 s HIS 41 CO 0.00 -0.72 1.44 -1.58 -0.85 0.00 0.00 174.74 173.03 1bk8 s TRP 42 N 1.35 2.28 -0.01 1.40 0.52 -1.26 -0.91 118.94 122.31 1bk8 s TRP 42 Ca 0.05 0.54 -0.12 0.00 0.02 0.00 0.00 56.10 56.58 1bk8 s TRP 42 Cb -0.14 -4.36 -0.05 0.00 -1.15 0.00 0.00 33.47 27.77 1bk8 s TRP 42 CO -0.09 -2.00 0.35 0.15 0.02 0.00 0.00 176.95 175.38 1bk8 s LYS 43 N 5.42 3.80 -0.35 4.98 -0.14 0.56 0.01 119.74 134.01 1bk8 s LYS 43 Ca 0.56 0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 55.14 1bk8 s LYS 43 Cb -0.12 -3.19 -0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1bk8 s LYS 43 CO 0.27 0.69 1.49 0.00 -0.76 0.00 0.00 175.35 177.05 1bk8 s PHE 45 N 5.50 3.57 0.19 0.00 0.40 -0.11 -1.85 117.98 125.68 1bk8 s PHE 45 Ca 0.65 0.80 0.09 0.00 -0.60 0.00 0.00 56.93 57.87 1bk8 s PHE 45 Cb -0.17 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 1bk8 s PHE 45 CO 0.31 0.49 -0.08 0.00 0.70 0.00 0.00 175.22 176.64 1bk8 s TYR 47 N -1.81 0.81 0.57 0.00 1.51 0.04 -0.33 117.35 118.14 1bk8 s TYR 47 Ca 0.26 -0.97 0.09 0.00 -1.01 0.00 0.00 57.07 55.43 1bk8 s TYR 47 Cb -0.08 -1.09 0.09 0.00 -0.11 0.00 0.00 41.96 40.77 1bk8 s TYR 47 CO 0.16 -0.73 0.71 1.19 -1.11 0.00 0.00 175.55 175.78 1bk8 n PHE 48 N 5.11 -1.95 -3.23 2.71 3.01 0.22 0.27 117.46 123.60 1bk8 n PHE 48 Ca -0.06 -2.13 -0.16 0.00 1.01 0.00 0.00 57.45 56.11 1bk8 n PHE 48 Cb 0.45 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.37 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1bk8 n ASN 49 N -2.24 -1.65 0.00 4.37 3.02 -1.26 -0.64 115.26 116.86 1bk8 n ASN 49 Ca 0.12 -0.15 0.14 0.00 -0.03 0.00 0.00 54.58 54.66 1bk8 n ASN 49 Cb 0.60 -1.49 0.82 0.00 -0.61 0.00 0.00 39.78 39.10 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64