#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohn n TYR 2 N 0.00 0.00 -4.13 5.64 4.01 -1.26 -4.98 117.16 116.44 1ohn n TYR 2 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1ohn n TYR 2 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 1ohn n TYR 2 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1ohn s TYR 3 N -0.08 0.89 0.00 -0.72 1.13 -1.26 -5.08 117.35 112.22 1ohn s TYR 3 Ca 0.00 -1.16 0.00 0.00 -1.41 0.00 0.00 57.07 54.50 1ohn s TYR 3 Cb 0.00 -0.30 0.00 0.00 -1.10 0.00 0.00 41.96 40.56 1ohn s TYR 3 CO 0.00 -0.77 0.00 0.41 -2.51 0.00 0.00 175.55 172.68 1ohn n GLY 4 N -0.31 -0.96 0.00 5.49 0.00 -1.26 -4.21 105.19 103.93 1ohn n GLY 4 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ohn n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ohn n ASN 5 N -1.15 0.00 0.20 1.61 5.15 -1.26 -4.33 115.26 115.48 1ohn n ASN 5 Ca 0.00 0.47 0.08 0.00 -0.60 0.00 0.00 54.58 54.53 1ohn n ASN 5 Cb 0.00 -0.49 0.34 0.00 -0.53 0.00 0.00 39.78 39.10 1ohn n ASN 5 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1ohn h GLY 6 N 0.00 0.00 1.29 8.20 0.00 -2.05 -3.12 103.07 107.39 1ohn h GLY 6 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1ohn h GLY 6 CO 0.00 0.00 0.03 -2.08 0.00 0.00 0.00 176.54 174.49 1ohn h VAL 7 N 0.00 1.25 -1.26 4.60 2.07 -1.84 -3.42 116.25 117.65 1ohn h VAL 7 Ca -0.00 -1.00 -0.36 0.00 0.82 0.00 0.00 66.70 66.16 1ohn h VAL 7 Cb 0.91 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1ohn h VAL 7 CO 0.03 0.36 0.99 -1.00 0.02 0.00 0.00 177.57 177.98 1ohn s HIS 8 N -5.04 1.59 0.00 1.57 4.02 -1.18 -4.51 115.29 111.73 1ohn s HIS 8 Ca -0.10 0.95 0.00 0.00 1.02 0.00 0.00 55.06 56.94 1ohn s HIS 8 Cb 0.15 -3.94 0.00 0.00 -1.02 0.00 0.00 32.58 27.77 1ohn s HIS 8 CO 0.82 -2.03 0.00 0.00 1.02 0.00 0.00 174.74 174.55 1ohn n GLY 10 N 0.00 -1.88 5.00 0.00 0.00 -1.26 -4.86 105.19 102.19 1ohn n GLY 10 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1ohn n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ohn n LYS 11 N -2.54 0.00 -0.00 1.61 5.02 -1.26 -1.95 118.16 119.03 1ohn n LYS 11 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.32 1ohn n LYS 11 Cb 0.30 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.33 1ohn n LYS 11 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ohn n HIS 12 N 0.00 0.01 -3.57 2.13 8.25 -1.26 -5.04 115.22 115.75 1ohn n HIS 12 Ca 0.00 -0.03 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1ohn n HIS 12 Cb 0.00 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1ohn n HIS 12 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ohn n SER 13 N 0.24 -5.78 0.07 0.41 7.64 -0.82 -4.88 113.62 110.48 1ohn n SER 13 Ca 0.03 -0.55 0.07 0.00 1.01 0.00 0.00 58.87 59.43 1ohn n SER 13 Cb 0.13 -4.60 0.33 0.00 -1.01 0.00 0.00 64.21 59.07 1ohn n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ohn n THR 15 N -1.84 0.00 -1.73 0.00 5.66 -1.26 -5.07 114.28 110.04 1ohn n THR 15 Ca 0.01 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.64 1ohn n THR 15 Cb 0.11 0.83 0.06 0.00 -1.55 0.00 0.00 70.33 69.79 1ohn n THR 15 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1ohn n VAL 16 N 0.00 4.65 0.34 1.08 0.31 -1.18 -4.90 118.33 118.63 1ohn n VAL 16 Ca 0.00 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 63.86 1ohn n VAL 16 Cb 0.51 -1.51 0.17 0.00 -0.91 0.00 0.00 33.84 32.10 1ohn n VAL 16 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ohn n ASP 17 N -1.64 0.00 0.00 4.52 2.03 -1.26 -3.75 116.55 116.45 1ohn n ASP 17 Ca 0.15 -0.03 0.06 0.00 0.52 0.00 0.00 54.79 55.49 1ohn n ASP 17 Cb 0.47 -0.12 0.34 0.00 -0.72 0.00 0.00 41.12 41.09 1ohn n ASP 17 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1ohn n TRP 18 N -1.12 0.00 -0.34 -0.67 4.27 -1.26 -4.44 117.44 113.88 1ohn n TRP 18 Ca 0.04 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.83 1ohn n TRP 18 Cb 0.03 0.00 0.34 0.00 -1.36 0.00 0.00 31.31 30.33 1ohn n TRP 18 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ohn n GLY 19 N -0.08 -1.24 0.08 -1.67 0.00 -1.25 -0.95 105.19 100.08 1ohn n GLY 19 Ca 0.08 0.94 -0.07 0.00 0.00 0.00 0.00 46.02 46.98 1ohn n GLY 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ohn h THR 20 N 0.00 1.64 0.26 2.61 1.35 -1.95 -2.08 112.91 114.74 1ohn h THR 20 Ca 0.64 -3.13 -0.01 0.00 -0.55 0.00 0.00 66.41 63.36 1ohn h THR 20 Cb 1.42 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 1ohn h THR 20 CO -0.90 0.90 -0.13 0.00 -0.25 0.00 0.00 175.52 175.14 1ohn h ALA 21 N 1.03 -0.36 0.00 6.62 0.00 -1.38 -1.06 119.26 124.11 1ohn h ALA 21 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ohn h ALA 21 Cb 1.66 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1ohn h ALA 21 CO 0.13 -0.58 -0.10 -0.84 0.00 0.00 0.00 179.25 177.86 1ohn h ILE 22 N -0.60 0.74 -0.04 0.00 3.07 -1.41 0.06 117.51 119.33 1ohn h ILE 22 Ca -0.04 -0.38 -0.01 0.00 1.55 0.00 0.00 64.86 65.99 1ohn h ILE 22 Cb 0.43 1.22 -0.00 0.00 -0.27 0.00 0.00 36.82 38.20 1ohn h ILE 22 CO 0.06 0.09 0.00 1.23 -1.05 0.00 0.00 178.15 178.49 1ohn h GLY 23 N 0.47 0.08 1.00 0.16 0.00 -1.26 -2.17 103.07 101.35 1ohn h GLY 23 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1ohn h GLY 23 CO 0.01 0.05 0.39 -0.57 0.00 0.00 0.00 176.54 176.42 1ohn h ASN 24 N -0.22 0.77 -0.10 0.19 -0.73 -0.67 -0.76 115.58 114.06 1ohn h ASN 24 Ca 0.01 -0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.14 1ohn h ASN 24 Cb 0.32 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 1ohn h ASN 24 CO 0.00 0.60 0.01 0.40 -0.37 0.00 0.00 177.43 178.07 1ohn h ILE 25 N 0.87 0.94 -0.36 2.57 2.04 -1.05 -0.28 117.51 122.24 1ohn h ILE 25 Ca 0.23 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.13 1ohn h ILE 25 Cb -0.03 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1ohn h ILE 25 CO -0.04 0.01 0.08 1.23 0.00 0.00 0.00 178.15 179.43 1ohn h GLY 26 N 0.05 0.43 0.59 5.37 0.00 -1.18 -0.24 103.07 108.09 1ohn h GLY 26 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1ohn h GLY 26 CO -0.07 -0.01 -0.06 -0.57 0.00 0.00 0.00 176.54 175.82 1ohn h ASN 27 N 0.21 -0.22 0.18 0.19 -1.24 -0.95 -1.66 115.58 112.10 1ohn h ASN 27 Ca 0.17 0.06 -0.10 0.00 0.71 0.00 0.00 56.30 57.14 1ohn h ASN 27 Cb 0.19 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1ohn h ASN 27 CO -0.21 -0.08 -0.37 -1.13 -1.29 0.00 0.00 177.43 174.34 1ohn h ASN 28 N -0.03 0.27 -0.63 1.15 -1.24 -0.80 0.08 115.58 114.38 1ohn h ASN 28 Ca 0.09 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 1ohn h ASN 28 Cb 0.17 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 1ohn h ASN 28 CO -0.21 0.62 0.30 0.00 -1.29 0.00 0.00 177.43 176.86 1ohn h ALA 29 N 1.39 0.81 0.00 1.57 0.00 -0.89 -1.41 119.26 120.74 1ohn h ALA 29 Ca 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ohn h ALA 29 Cb 0.76 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ohn h ALA 29 CO 0.06 0.38 -0.38 0.00 0.00 0.00 0.00 179.25 179.31 1ohn h ALA 30 N 1.13 1.31 0.05 0.00 0.00 -0.87 -1.62 119.26 119.26 1ohn h ALA 30 Ca 0.22 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1ohn h ALA 30 Cb 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ohn h ALA 30 CO -0.03 0.47 -0.40 0.00 0.00 0.00 0.00 179.25 179.30 1ohn h ALA 31 N 1.62 -0.02 0.00 0.00 0.00 -0.68 -3.43 119.26 116.75 1ohn h ALA 31 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ohn h ALA 31 Cb 0.70 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ohn h ALA 31 CO 0.05 0.18 -0.05 0.27 0.00 0.00 0.00 179.25 179.69 1ohn n ASN 32 N -4.38 0.00 -3.92 0.00 0.23 -0.56 -5.03 115.26 101.60 1ohn n ASN 32 Ca -0.11 -1.11 -0.30 0.00 -0.53 0.00 0.00 54.58 52.53 1ohn n ASN 32 Cb 0.62 -0.02 0.02 0.00 -2.08 0.00 0.00 39.78 38.32 1ohn n ASN 32 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1ohn n TRP 33 N 0.00 -2.26 -2.48 -2.53 8.01 -0.61 -1.57 117.44 116.00 1ohn n TRP 33 Ca 0.00 0.90 -0.16 0.00 -1.31 0.00 0.00 57.50 56.93 1ohn n TRP 33 Cb 0.52 -3.97 -0.01 0.00 -2.01 0.00 0.00 31.31 25.85 1ohn n TRP 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ohn n ALA 34 N -4.66 -0.74 -1.27 6.99 0.00 -1.21 -1.36 120.51 118.26 1ohn n ALA 34 Ca 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1ohn n ALA 34 Cb 0.53 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 1ohn n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ohn n THR 35 N -3.66 0.00 0.00 0.00 -2.24 -0.61 -1.23 114.28 106.54 1ohn n THR 35 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ohn n THR 35 Cb 0.64 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1ohn n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ohn n GLY 36 N 0.13 1.08 0.00 3.38 0.00 -0.46 -4.59 105.19 104.72 1ohn n GLY 36 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ohn n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohn n GLY 37 N -0.85 0.42 0.13 -0.02 0.00 -0.36 -4.99 105.19 99.52 1ohn n GLY 37 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1ohn n GLY 37 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ohn h ASN 38 N 0.00 0.00 -3.75 1.61 4.21 -1.65 -3.46 115.58 112.55 1ohn h ASN 38 Ca 0.00 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 1ohn h ASN 38 Cb 0.00 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 37.27 1ohn h ASN 38 CO 0.00 0.00 0.70 0.00 -1.29 0.00 0.00 177.43 176.84 1ohn s ALA 39 N -3.14 3.55 -0.16 -0.83 0.00 -0.91 -4.98 121.76 115.28 1ohn s ALA 39 Ca 0.10 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 1ohn s ALA 39 Cb 0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1ohn s ALA 39 CO 0.60 -0.74 0.44 0.20 0.00 0.00 0.00 175.76 176.27 1ohn s GLY 40 N -0.19 2.22 0.00 0.00 0.00 -1.26 -5.06 107.32 103.03 1ohn s GLY 40 Ca 0.52 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1ohn s GLY 40 CO 0.52 0.81 0.00 -2.67 0.00 0.00 0.00 173.10 171.76 1ohn n TRP 41 N 4.12 -0.40 -0.64 1.90 2.14 -1.26 -5.08 117.44 118.23 1ohn n TRP 41 Ca -0.07 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.05 1ohn n TRP 41 Cb 0.51 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.90 1ohn n TRP 41 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1ohn n ASN 42 N -2.00 1.27 0.00 -0.67 6.94 -1.26 -5.27 115.26 114.28 1ohn n ASN 42 Ca 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.03 1ohn n ASN 42 Cb 0.00 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 36.79 1ohn n ASN 42 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52