#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bds s ALA 2 N 0.00 3.16 -0.31 0.00 0.00 -1.24 -4.81 121.76 118.56 2bds s ALA 2 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2bds s ALA 2 Cb 0.00 -2.91 0.38 0.00 0.00 0.00 0.00 23.12 20.59 2bds s ALA 2 CO 0.00 -0.68 1.69 -0.35 0.00 0.00 0.00 175.76 176.42 2bds n PRO 3 N -2.65 1.85 -2.86 0.00 -0.04 -1.26 -4.00 135.00 126.03 2bds n PRO 3 Ca 0.05 -1.91 -0.38 0.00 -0.04 0.00 0.00 63.50 61.21 2bds n PRO 3 Cb 0.55 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.34 2.66 0.31 0.00 0.40 -1.26 0.41 117.98 119.16 2bds s PHE 5 Ca 0.43 0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.88 2bds s PHE 5 Cb -0.22 -2.98 0.01 0.00 0.51 0.00 0.00 43.02 40.34 2bds s PHE 5 CO 0.27 -1.23 0.11 0.00 0.70 0.00 0.00 175.22 175.06 2bds s SER 7 N -2.75 6.78 0.00 0.00 0.15 -1.26 -2.60 113.70 114.03 2bds s SER 7 Ca 0.08 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.79 2bds s SER 7 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2bds s SER 7 CO 0.05 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.09 2bds n GLY 8 N 4.18 2.14 3.22 9.45 0.00 -1.26 -5.02 105.19 117.90 2bds n GLY 8 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.60 2.81 0.80 1.61 3.01 -1.07 -5.10 119.74 121.20 2bds s LYS 9 Ca 0.00 -1.00 -0.12 0.00 -1.01 0.00 0.00 55.97 53.84 2bds s LYS 9 Cb 0.00 -3.08 0.07 0.00 -1.01 0.00 0.00 37.83 33.81 2bds s LYS 9 CO 0.00 -0.44 1.12 -1.25 0.51 0.00 0.00 175.35 175.29 2bds s PRO 10 N 1.34 2.06 0.00 -1.68 0.04 -1.26 -2.54 135.00 132.95 2bds s PRO 10 Ca -0.00 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2bds s PRO 10 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2bds s PRO 10 CO -0.03 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.83 2bds n GLY 11 N -2.54 1.11 3.64 0.56 0.00 -1.26 -4.89 105.19 101.81 2bds n GLY 11 Ca 0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 1.49 0.16 1.61 1.70 -1.26 -4.43 118.95 118.22 2bds s ARG 12 Ca 0.00 -0.71 0.02 0.00 -0.47 0.00 0.00 55.73 54.58 2bds s ARG 12 Cb 0.00 0.58 -0.01 0.00 -0.57 0.00 0.00 34.95 34.95 2bds s ARG 12 CO 0.00 -0.67 0.17 0.41 -1.08 0.00 0.00 175.30 174.13 2bds n GLY 13 N -0.41 3.24 3.39 3.88 0.00 1.39 -4.48 105.19 112.20 2bds n GLY 13 Ca -0.10 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2bds n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bds s ASP 14 N -2.11 5.67 -0.87 1.61 1.11 -0.96 -3.68 116.67 117.44 2bds s ASP 14 Ca 0.18 -0.85 -0.23 0.00 0.18 0.00 0.00 52.55 51.82 2bds s ASP 14 Cb 0.01 -2.01 0.06 0.00 1.07 0.00 0.00 42.92 42.04 2bds s ASP 14 CO 0.13 -0.33 1.27 -0.22 1.18 0.00 0.00 175.17 177.20 2bds s LEU 15 N 1.57 3.82 -0.30 1.23 2.96 -1.26 -0.71 118.68 125.98 2bds s LEU 15 Ca 0.03 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 52.44 2bds s LEU 15 Cb -0.18 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2bds s LEU 15 CO 0.06 -1.51 1.64 0.26 -1.32 0.00 0.00 176.35 175.49 2bds s TRP 16 N 4.64 2.06 -1.00 5.38 0.52 0.60 -4.62 118.94 126.51 2bds s TRP 16 Ca 0.37 0.61 0.28 0.00 0.02 0.00 0.00 56.10 57.38 2bds s TRP 16 Cb -0.06 -4.11 1.00 0.00 -1.15 0.00 0.00 33.47 29.15 2bds s TRP 16 CO -0.00 -2.73 1.76 -0.89 0.02 0.00 0.00 176.95 175.11 2bds n ILE 17 N 6.95 0.00 -3.03 2.03 -0.00 -1.26 0.20 119.36 124.26 2bds n ILE 17 Ca 0.20 -0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.80 2bds n ILE 17 Cb 0.46 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.64 39.82 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 -1.50 -2.04 -3.61 1.39 4.77 -1.14 -3.39 117.00 111.47 2bds n LEU 18 Ca 0.07 -3.63 -0.00 0.00 -0.03 0.00 0.00 56.01 52.42 2bds n LEU 18 Cb 0.34 0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 42.10 2bds n LEU 18 CO 0.30 1.92 1.06 -0.13 -1.33 0.00 0.00 177.39 179.22 2bds s ARG 19 N 0.40 0.32 -0.03 3.23 0.52 0.11 -4.98 118.95 118.54 2bds s ARG 19 Ca 0.32 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.42 2bds s ARG 19 Cb 0.05 0.12 -0.08 0.00 0.52 0.00 0.00 34.95 35.56 2bds s ARG 19 CO -0.13 -0.15 0.08 0.41 0.02 0.00 0.00 175.30 175.53 2bds n GLY 20 N -0.35 -0.26 3.20 -3.53 0.00 -1.26 -4.39 105.19 98.60 2bds n GLY 20 Ca -0.05 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.28 1.20 0.24 2.61 -4.23 -1.26 -5.07 115.64 106.85 2bds s THR 21 Ca -0.02 -1.50 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 2bds s THR 21 Cb 0.03 -1.29 -0.08 0.00 1.34 0.00 0.00 72.50 72.50 2bds s THR 21 CO 0.22 -0.32 0.64 0.00 -0.54 0.00 0.00 174.62 174.62 2bds n PRO 23 N 0.15 1.33 0.00 0.00 -0.04 -1.26 -4.87 135.00 130.32 2bds n PRO 23 Ca -0.00 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2bds n PRO 23 Cb 0.52 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 2bds n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bds n GLY 24 N 5.95 0.00 2.57 0.55 0.00 -1.26 -1.86 105.19 111.14 2bds n GLY 24 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 5.28 0.00 -0.02 0.00 -1.26 -4.44 105.19 104.75 2bds n GLY 25 Ca 0.00 -2.19 0.14 0.00 0.00 0.00 0.00 46.02 43.98 2bds n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bds n TYR 26 N -0.32 0.00 0.00 1.61 4.02 -0.78 -4.82 117.16 116.88 2bds n TYR 26 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.42 2bds n TYR 26 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 2bds n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bds n GLY 27 N 0.90 2.89 3.83 2.72 0.00 -1.26 -5.08 105.19 109.19 2bds n GLY 27 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.52 3.01 0.00 1.61 2.02 -1.26 -4.67 117.35 115.53 2bds s TYR 28 Ca 0.00 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 2bds s TYR 28 Cb 0.00 -3.07 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 2bds s TYR 28 CO 0.00 -1.54 0.00 0.25 -1.57 0.00 0.00 175.55 172.69 2bds n THR 29 N -3.27 0.00 -3.40 -0.71 -2.24 -1.18 -4.90 114.28 98.58 2bds n THR 29 Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 2bds n THR 29 Cb 0.56 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.28 6.17 0.01 3.42 1.04 -1.19 -5.02 113.70 116.85 2bds s SER 30 Ca 0.00 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 2bds s SER 30 Cb 0.00 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.93 2bds s SER 30 CO 0.00 -0.35 0.19 0.54 0.98 0.00 0.00 173.24 174.60 2bds s ASN 31 N 1.74 -0.01 -0.00 7.02 2.20 -1.26 -0.36 114.94 124.27 2bds s ASN 31 Ca 0.11 -0.21 0.01 0.00 -0.94 0.00 0.00 52.86 51.83 2bds s ASN 31 Cb -0.17 0.25 -0.04 0.00 -2.00 0.00 0.00 41.25 39.30 2bds s ASN 31 CO 0.12 -0.45 0.02 0.00 -2.94 0.00 0.00 177.10 173.85 2bds s TYR 33 N -1.12 2.57 -0.45 0.00 1.51 -1.26 -1.53 117.35 117.08 2bds s TYR 33 Ca 0.20 -1.10 0.07 0.00 -1.01 0.00 0.00 57.07 55.23 2bds s TYR 33 Cb -0.12 -1.72 0.22 0.00 -0.11 0.00 0.00 41.96 40.23 2bds s TYR 33 CO 0.11 -0.45 0.51 1.63 -1.11 0.00 0.00 175.55 176.24 2bds n LYS 34 N 3.61 0.90 -1.17 -0.62 5.02 -0.95 -4.94 118.16 120.01 2bds n LYS 34 Ca -0.19 -3.49 -0.36 0.00 -2.02 0.00 0.00 58.31 52.24 2bds n LYS 34 Cb 0.53 -1.54 0.06 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.73 -1.71 1.10 2.13 -0.00 -1.26 -0.30 117.44 119.12 2bds n TRP 35 Ca 0.24 0.30 0.02 0.00 -0.00 0.00 0.00 57.50 58.07 2bds n TRP 35 Cb 0.49 -1.81 0.12 0.00 -0.00 0.00 0.00 31.31 30.11 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 -0.13 0.55 -0.60 5.87 -0.04 -1.26 -4.96 135.00 134.43 2bds n PRO 36 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2bds n PRO 36 Cb 0.51 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2bds n PRO 36 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bds n ASN 37 N -0.62 0.44 -3.65 3.54 3.02 0.59 0.10 115.26 118.68 2bds n ASN 37 Ca 0.03 -0.49 -0.01 0.00 -0.03 0.00 0.00 54.58 54.08 2bds n ASN 37 Cb 0.01 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 2bds n ASN 37 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2bds s ILE 38 N 1.19 0.00 -0.33 2.41 2.07 0.54 -2.25 121.20 124.83 2bds s ILE 38 Ca 0.00 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 2bds s ILE 38 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 2bds s ILE 38 CO 0.00 0.00 0.15 0.00 -1.91 0.00 0.00 174.94 173.18 2bds s TYR 41 N 0.07 2.69 0.52 0.00 1.51 0.52 -2.27 117.35 120.40 2bds s TYR 41 Ca 0.26 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.75 2bds s TYR 41 Cb -0.16 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 2bds s TYR 41 CO 0.12 0.13 0.89 -1.25 -1.11 0.00 0.00 175.55 174.33 2bds s PRO 42 N -3.97 3.63 0.00 -1.71 0.04 -1.20 -3.09 135.00 128.70 2bds s PRO 42 Ca 0.42 0.51 0.07 0.00 0.04 0.00 0.00 61.00 62.04 2bds s PRO 42 Cb -0.01 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2bds s PRO 42 CO 0.25 -0.32 0.73 -2.39 0.04 0.00 0.00 177.00 175.30