#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bds n ALA 2 N 0.00 -2.99 0.17 0.00 0.00 -1.24 -4.77 120.51 111.68 2bds n ALA 2 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 2bds n ALA 2 Cb 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 19.45 17.87 2bds n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bds n PRO 3 N 1.08 1.23 -2.86 0.00 -0.04 -1.26 -3.48 135.00 129.67 2bds n PRO 3 Ca 0.18 -0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 62.71 2bds n PRO 3 Cb 0.21 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2bds n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bds s PHE 5 N 3.27 2.35 0.16 0.00 0.40 -1.26 0.14 117.98 123.04 2bds s PHE 5 Ca 0.36 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.33 2bds s PHE 5 Cb -0.13 -3.65 -0.00 0.00 0.51 0.00 0.00 43.02 39.74 2bds s PHE 5 CO 0.16 -2.26 0.04 0.00 0.70 0.00 0.00 175.22 173.87 2bds s SER 7 N -1.98 6.86 0.00 0.00 0.15 -1.26 -2.57 113.70 114.90 2bds s SER 7 Ca 0.06 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.26 2bds s SER 7 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2bds s SER 7 CO 0.04 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.24 2bds n GLY 8 N 3.81 2.92 3.19 9.45 0.00 -1.26 -4.97 105.19 118.34 2bds n GLY 8 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2bds n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bds s LYS 9 N -0.03 2.45 0.31 1.61 1.02 -1.06 -5.10 119.74 118.94 2bds s LYS 9 Ca 0.00 -1.28 -0.05 0.00 0.02 0.00 0.00 55.97 54.66 2bds s LYS 9 Cb 0.00 -3.26 0.07 0.00 -0.52 0.00 0.00 37.83 34.12 2bds s LYS 9 CO 0.00 -0.65 0.31 -0.35 -0.92 0.00 0.00 175.35 173.74 2bds n PRO 10 N 4.66 -1.21 0.00 -1.68 -0.05 -1.26 -2.57 135.00 132.89 2bds n PRO 10 Ca -0.12 -0.49 0.00 0.00 -0.05 0.00 0.00 63.50 62.84 2bds n PRO 10 Cb 0.43 -0.41 0.00 0.00 -0.05 0.00 0.00 33.50 33.47 2bds n PRO 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2bds n GLY 11 N 1.18 1.42 3.80 0.55 0.00 -1.26 -4.80 105.19 106.08 2bds n GLY 11 Ca 0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 2bds n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bds s ARG 12 N 0.00 1.69 0.07 1.61 1.70 -1.26 -4.57 118.95 118.19 2bds s ARG 12 Ca 0.00 -0.91 -0.10 0.00 -0.47 0.00 0.00 55.73 54.25 2bds s ARG 12 Cb 0.00 0.60 0.01 0.00 -0.57 0.00 0.00 34.95 34.98 2bds s ARG 12 CO 0.00 -0.77 0.23 0.20 -1.08 0.00 0.00 175.30 173.87 2bds s GLY 13 N -2.90 0.01 0.02 3.88 0.00 0.37 -4.78 107.32 103.91 2bds s GLY 13 Ca 0.10 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.16 2bds s GLY 13 CO 0.04 -0.55 1.04 0.99 0.00 0.00 0.00 173.10 174.62 2bds s ASP 14 N -2.46 7.29 -0.66 1.64 1.11 -0.29 -3.45 116.67 119.86 2bds s ASP 14 Ca -0.00 1.75 -0.18 0.00 0.18 0.00 0.00 52.55 54.30 2bds s ASP 14 Cb 0.02 -2.57 0.13 0.00 1.07 0.00 0.00 42.92 41.57 2bds s ASP 14 CO -0.07 -0.31 0.72 -0.22 1.18 0.00 0.00 175.17 176.46 2bds s LEU 15 N 1.02 5.74 -0.34 1.23 2.96 -1.26 0.35 118.68 128.38 2bds s LEU 15 Ca 0.54 -1.77 -0.27 0.00 -0.22 0.00 0.00 54.13 52.41 2bds s LEU 15 Cb -0.23 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.19 2bds s LEU 15 CO 0.28 -0.97 0.95 0.26 -1.32 0.00 0.00 176.35 175.55 2bds s TRP 16 N 2.06 3.12 -1.16 5.38 0.52 0.38 -4.83 118.94 124.41 2bds s TRP 16 Ca 0.13 0.93 0.26 0.00 0.02 0.00 0.00 56.10 57.44 2bds s TRP 16 Cb -0.21 -3.59 0.69 0.00 -1.15 0.00 0.00 33.47 29.21 2bds s TRP 16 CO 0.01 -0.76 1.54 -0.89 0.02 0.00 0.00 176.95 176.87 2bds n ILE 17 N 5.87 0.00 -2.87 2.03 5.41 -1.26 0.19 119.36 128.73 2bds n ILE 17 Ca 0.08 -0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.69 2bds n ILE 17 Cb 0.48 0.15 0.01 0.00 -0.71 0.00 0.00 39.64 39.57 2bds n ILE 17 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2bds n LEU 18 N -1.33 -2.21 -3.72 1.39 4.77 -1.18 -3.37 117.00 111.36 2bds n LEU 18 Ca 0.07 -3.61 -0.10 0.00 -0.03 0.00 0.00 56.01 52.35 2bds n LEU 18 Cb 0.33 0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 42.15 2bds n LEU 18 CO 0.32 2.00 0.16 -0.13 -1.33 0.00 0.00 177.39 178.41 2bds s ARG 19 N 0.28 1.18 -0.12 3.23 0.52 0.17 -4.97 118.95 119.25 2bds s ARG 19 Ca 0.32 -0.84 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 2bds s ARG 19 Cb 0.18 0.47 -0.13 0.00 0.52 0.00 0.00 34.95 36.00 2bds s ARG 19 CO -0.19 -0.47 -0.00 0.41 0.02 0.00 0.00 175.30 175.06 2bds n GLY 20 N -0.26 -0.46 3.10 -3.53 0.00 -1.26 -4.48 105.19 98.30 2bds n GLY 20 Ca -0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 2bds n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bds s THR 21 N -2.27 0.57 0.21 2.61 -4.23 -1.26 -5.07 115.64 106.20 2bds s THR 21 Ca -0.09 -1.41 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 2bds s THR 21 Cb 0.04 -1.01 -0.07 0.00 1.34 0.00 0.00 72.50 72.79 2bds s THR 21 CO 0.42 -0.58 0.55 0.00 -0.54 0.00 0.00 174.62 174.47 2bds s PRO 23 N -2.66 3.55 0.12 0.00 0.04 -1.26 -4.93 135.00 129.86 2bds s PRO 23 Ca 0.46 1.92 0.23 0.00 0.04 0.00 0.00 61.00 63.65 2bds s PRO 23 Cb -0.12 -2.35 0.15 0.00 0.04 0.00 0.00 34.50 32.22 2bds s PRO 23 CO 0.21 -0.76 1.14 0.41 0.04 0.00 0.00 177.00 178.03 2bds n GLY 24 N 0.53 -1.37 0.00 0.56 0.00 -1.26 -3.62 105.19 100.03 2bds n GLY 24 Ca 0.08 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2bds n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bds n GLY 25 N 1.30 -1.38 0.08 -0.02 0.00 -1.26 -2.90 105.19 101.01 2bds n GLY 25 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2bds n GLY 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2bds h TYR 26 N 0.00 0.01 0.00 1.61 -1.99 -1.97 -3.48 116.97 111.16 2bds h TYR 26 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2bds h TYR 26 Cb 0.42 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.15 2bds h TYR 26 CO 0.00 1.02 0.00 0.41 -0.00 0.00 0.00 178.16 179.59 2bds n GLY 27 N 1.55 1.38 3.57 3.88 0.00 -1.14 -5.10 105.19 109.33 2bds n GLY 27 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2bds n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bds s TYR 28 N -2.00 1.62 0.00 1.61 2.02 -1.25 -4.82 117.35 114.52 2bds s TYR 28 Ca 0.00 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 57.97 2bds s TYR 28 Cb 0.00 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 2bds s TYR 28 CO 0.00 -3.39 0.00 0.25 -1.57 0.00 0.00 175.55 170.84 2bds n THR 29 N -4.58 0.00 -3.46 -0.71 -2.24 -1.24 -4.81 114.28 97.25 2bds n THR 29 Ca 0.05 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.44 2bds n THR 29 Cb 0.54 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 2bds n THR 29 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2bds s SER 30 N -1.34 6.16 0.05 3.42 1.04 -1.23 -4.98 113.70 116.82 2bds s SER 30 Ca 0.00 0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.29 2bds s SER 30 Cb 0.00 -2.18 0.05 0.00 0.10 0.00 0.00 66.02 63.99 2bds s SER 30 CO 0.00 -0.17 0.52 0.54 0.98 0.00 0.00 173.24 175.11 2bds s ASN 31 N 1.70 -0.44 0.12 7.02 6.03 -1.26 0.28 114.94 128.39 2bds s ASN 31 Ca 0.12 0.15 0.09 0.00 -1.03 0.00 0.00 52.86 52.19 2bds s ASN 31 Cb -0.16 0.50 -0.04 0.00 -3.03 0.00 0.00 41.25 38.52 2bds s ASN 31 CO 0.11 -0.74 -0.19 0.00 -2.03 0.00 0.00 177.10 174.25 2bds s TYR 33 N -1.17 2.44 -0.46 0.00 1.51 -1.26 -2.04 117.35 116.37 2bds s TYR 33 Ca 0.18 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 2bds s TYR 33 Cb -0.10 -1.52 0.24 0.00 -0.11 0.00 0.00 41.96 40.47 2bds s TYR 33 CO 0.10 0.06 0.56 1.63 -1.11 0.00 0.00 175.55 176.79 2bds n LYS 34 N 2.27 1.13 -1.41 -0.62 5.02 -0.83 -4.91 118.16 118.82 2bds n LYS 34 Ca -0.16 -3.59 -0.48 0.00 -2.02 0.00 0.00 58.31 52.06 2bds n LYS 34 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2bds n LYS 34 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2bds n TRP 35 N 1.37 -0.42 1.49 2.13 -0.00 -1.26 0.15 117.44 120.89 2bds n TRP 35 Ca 0.24 0.94 0.09 0.00 -0.00 0.00 0.00 57.50 58.77 2bds n TRP 35 Cb 0.50 -1.97 0.53 0.00 -0.00 0.00 0.00 31.31 30.36 2bds n TRP 35 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2bds n PRO 36 N 0.99 0.74 -0.22 5.87 -0.05 -1.26 -4.98 135.00 136.09 2bds n PRO 36 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.62 2bds n PRO 36 Cb 0.26 -1.38 0.00 0.00 -0.05 0.00 0.00 33.50 32.33 2bds n PRO 36 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2bds n ASN 37 N -0.88 0.00 0.00 3.54 3.02 0.38 0.44 115.26 121.77 2bds n ASN 37 Ca 0.13 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2bds n ASN 37 Cb 0.06 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2bds n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bds n ILE 38 N -0.43 0.00 -3.83 2.41 3.06 0.51 -1.96 119.36 119.12 2bds n ILE 38 Ca 0.00 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.89 2bds n ILE 38 Cb 0.00 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.05 2bds n ILE 38 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2bds s TYR 41 N -0.54 1.44 0.02 0.00 1.51 0.14 -1.14 117.35 118.79 2bds s TYR 41 Ca 0.17 -0.84 -0.25 0.00 -1.01 0.00 0.00 57.07 55.13 2bds s TYR 41 Cb -0.13 -1.98 -0.17 0.00 -0.11 0.00 0.00 41.96 39.57 2bds s TYR 41 CO 0.06 -0.73 1.40 -1.35 -1.11 0.00 0.00 175.55 173.81 2bds h PRO 42 N 0.54 -0.23 0.00 -1.71 0.11 -1.86 -3.27 132.00 125.57 2bds h PRO 42 Ca -0.34 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2bds h PRO 42 Cb 1.30 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2bds h PRO 42 CO 0.52 0.06 0.00 -2.39 -0.21 0.00 0.00 178.00 175.98