#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 -0.50 -0.40 0.00 0.00 -1.24 -4.83 120.51 113.54 2bds n ALA 2 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 2bds n ALA 2 Cb 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 19.45 17.52 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 0.25 1.43 -2.36 0.00 -0.04 -1.26 -3.69 135.00 129.33 2bds n PRO 3 Ca 0.11 -0.89 -0.43 0.00 -0.04 0.00 0.00 63.50 62.25 2bds n PRO 3 Cb 0.39 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 3.06 2.27 0.34 0.00 0.40 -1.26 0.22 117.98 123.01 2bds s PHE 5 Ca 0.58 0.51 0.06 0.00 -0.60 0.00 0.00 56.93 57.48 2bds s PHE 5 Cb -0.25 -3.78 -0.02 0.00 0.51 0.00 0.00 43.02 39.47 2bds s PHE 5 CO 0.20 -2.19 0.33 0.00 0.70 0.00 0.00 175.22 174.26 2bds s SER 7 N -3.37 7.02 0.00 0.00 1.04 -1.26 -2.39 113.70 114.75 2bds s SER 7 Ca 0.39 2.28 0.00 0.00 0.48 0.00 0.00 55.95 59.10 2bds s SER 7 Cb 0.02 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2bds s SER 7 CO 0.28 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2bds n GLY 8 N 2.31 1.00 3.17 7.32 0.00 -1.26 -4.88 105.19 112.84 2bds n GLY 8 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.29 0.62 1.61 1.02 -1.00 -5.09 119.74 119.19 2bds s LYS 9 Ca 0.00 -1.48 -0.16 0.00 0.02 0.00 0.00 55.97 54.36 2bds s LYS 9 Cb 0.00 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2bds s LYS 9 CO 0.00 -0.82 1.08 -1.25 -0.92 0.00 0.00 175.35 173.45 2bds s PRO 10 N 1.24 3.10 0.00 -1.68 0.05 -1.26 -2.85 135.00 133.60 2bds s PRO 10 Ca 0.01 1.30 0.00 0.00 0.05 0.00 0.00 61.00 62.36 2bds s PRO 10 Cb -0.21 -2.00 0.00 0.00 0.05 0.00 0.00 34.50 32.34 2bds s PRO 10 CO -0.02 -1.00 0.00 0.41 0.05 0.00 0.00 177.00 176.44 2bds n GLY 11 N -0.73 1.39 3.51 0.56 0.00 -1.26 -4.92 105.19 103.75 2bds n GLY 11 Ca 0.10 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 0.97 0.02 1.61 1.70 -1.26 -4.61 118.95 117.38 2bds s ARG 12 Ca 0.00 0.05 -0.04 0.00 -0.47 0.00 0.00 55.73 55.26 2bds s ARG 12 Cb 0.00 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2bds s ARG 12 CO 0.00 -0.34 0.06 0.20 -1.08 0.00 0.00 175.30 174.14 2bds s GLY 13 N -1.59 0.17 -0.14 3.88 0.00 0.60 -4.78 107.32 105.47 2bds s GLY 13 Ca -0.05 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.90 2bds s GLY 13 CO 0.02 -0.59 1.16 0.99 0.00 0.00 0.00 173.10 174.68 2bds s ASP 14 N -1.74 7.06 -0.67 1.64 1.11 -1.07 -2.79 116.67 120.22 2bds s ASP 14 Ca -0.11 1.63 -0.23 0.00 0.18 0.00 0.00 52.55 54.02 2bds s ASP 14 Cb -0.05 -2.55 0.06 0.00 1.07 0.00 0.00 42.92 41.45 2bds s ASP 14 CO -0.02 -0.64 1.02 -0.22 1.18 0.00 0.00 175.17 176.49 2bds s LEU 15 N 2.84 4.15 0.57 1.23 2.96 -1.26 0.23 118.68 129.40 2bds s LEU 15 Ca 0.52 -0.87 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2bds s LEU 15 Cb -0.20 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.03 2bds s LEU 15 CO 0.15 -1.51 0.86 0.26 -1.32 0.00 0.00 176.35 174.80 2bds s TRP 16 N 4.36 3.22 0.00 5.38 0.52 0.71 -4.77 118.94 128.36 2bds s TRP 16 Ca 0.25 0.55 0.00 0.00 0.02 0.00 0.00 56.10 56.92 2bds s TRP 16 Cb -0.15 -2.69 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 2bds s TRP 16 CO 0.11 -0.77 0.00 -0.89 0.02 0.00 0.00 176.95 175.42 2bds n ILE 17 N -2.51 0.00 -1.02 2.03 5.41 -1.26 -1.10 119.36 120.91 2bds n ILE 17 Ca 0.04 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 2bds n ILE 17 Cb 0.58 -1.44 -0.07 0.00 -0.71 0.00 0.00 39.64 38.00 2bds n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bds n LEU 18 N 0.00 3.35 -4.28 1.39 -0.00 -0.07 -3.15 117.00 114.24 2bds n LEU 18 Ca 0.00 -2.58 -0.34 0.00 -0.00 0.00 0.00 56.01 53.09 2bds n LEU 18 Cb 0.00 -0.99 -0.14 0.00 -0.00 0.00 0.00 43.42 42.29 2bds n LEU 18 CO 0.00 -0.79 -0.42 -0.13 -0.00 0.00 0.00 177.39 176.06 2bds s ARG 19 N 5.51 3.31 0.58 1.47 0.52 -1.26 -4.93 118.95 124.15 2bds s ARG 19 Ca 0.60 -0.67 0.33 0.00 -0.52 0.00 0.00 55.73 55.48 2bds s ARG 19 Cb 0.14 -2.89 1.81 0.00 0.52 0.00 0.00 34.95 34.52 2bds s ARG 19 CO 0.17 -0.16 2.20 0.78 0.02 0.00 0.00 175.30 178.31 2bds h GLY 20 N 7.96 0.00 -3.95 -3.53 0.00 -1.94 -3.44 103.07 98.16 2bds h GLY 20 Ca -0.41 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 2bds h GLY 20 CO 0.61 0.00 -0.27 -0.51 0.00 0.00 0.00 176.54 176.36 2bds s THR 21 N -4.28 0.08 0.34 4.70 -4.23 -1.26 -5.12 115.64 105.87 2bds s THR 21 Ca -0.04 -0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 59.64 2bds s THR 21 Cb 0.13 -0.88 -0.09 0.00 1.34 0.00 0.00 72.50 73.00 2bds s THR 21 CO 0.53 -0.37 0.77 0.00 -0.54 0.00 0.00 174.62 175.00 2bds n PRO 23 N -0.40 1.89 0.00 0.00 -0.04 -1.26 -4.88 135.00 130.31 2bds n PRO 23 Ca 0.04 0.68 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 2bds n PRO 23 Cb 0.53 -2.46 0.48 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.78 -0.13 0.08 0.55 0.00 -1.26 -3.74 105.19 101.47 2bds n GLY 24 Ca 0.07 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 1.22 -1.54 0.00 -0.02 0.00 -1.26 -4.55 105.19 99.04 2bds n GLY 25 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.16 0.00 0.00 1.61 4.02 -1.25 -5.02 117.16 114.37 2bds n TYR 26 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2bds n TYR 26 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 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 3.18 0.00 3.94 2.72 0.00 -1.26 -5.16 105.19 108.61 2bds n GLY 27 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.89 0.00 1.61 2.02 -1.26 -4.75 117.35 117.86 2bds s TYR 28 Ca 0.00 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 2bds s TYR 28 Cb 0.00 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 2bds s TYR 28 CO 0.00 -1.36 0.00 0.25 -1.57 0.00 0.00 175.55 172.87 2bds n THR 29 N -2.86 0.00 -3.38 -0.71 -2.24 -1.25 -4.99 114.28 98.86 2bds n THR 29 Ca 0.08 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 2bds n THR 29 Cb 0.60 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.44 6.19 0.01 3.42 1.04 -1.24 -4.99 113.70 116.68 2bds s SER 30 Ca 0.00 -0.32 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 2bds s SER 30 Cb 0.00 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.92 2bds s SER 30 CO 0.00 -0.39 0.20 0.54 0.98 0.00 0.00 173.24 174.57 2bds s ASN 31 N 1.75 -0.03 0.02 7.02 2.20 -1.26 -0.29 114.94 124.35 2bds s ASN 31 Ca 0.12 -0.18 0.03 0.00 -0.94 0.00 0.00 52.86 51.89 2bds s ASN 31 Cb -0.17 0.26 -0.04 0.00 -2.00 0.00 0.00 41.25 39.30 2bds s ASN 31 CO 0.12 -0.44 -0.02 0.00 -2.94 0.00 0.00 177.10 173.81 2bds s TYR 33 N -1.10 2.71 -0.55 0.00 1.51 -1.26 -2.16 117.35 116.49 2bds s TYR 33 Ca 0.20 -1.16 0.07 0.00 -1.01 0.00 0.00 57.07 55.17 2bds s TYR 33 Cb -0.11 -1.84 0.25 0.00 -0.11 0.00 0.00 41.96 40.15 2bds s TYR 33 CO 0.11 -0.52 0.66 1.63 -1.11 0.00 0.00 175.55 176.32 2bds n LYS 34 N 3.99 1.86 -1.29 -0.62 5.02 -0.61 -4.95 118.16 121.56 2bds n LYS 34 Ca -0.19 -4.16 -0.43 0.00 -2.02 0.00 0.00 58.31 51.51 2bds n LYS 34 Cb 0.52 -1.90 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.11 -1.41 -0.39 2.13 -0.00 -1.26 -0.04 117.44 117.58 2bds n TRP 35 Ca 0.27 0.73 0.00 0.00 -0.00 0.00 0.00 57.50 58.50 2bds n TRP 35 Cb 0.45 -1.78 0.00 0.00 -0.00 0.00 0.00 31.31 29.98 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 1.16 0.97 0.00 5.87 -0.04 -1.26 -5.00 135.00 136.70 2bds n PRO 36 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2bds n PRO 36 Cb 0.33 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.45 0.00 -3.63 3.54 3.02 0.95 -0.89 115.26 119.70 2bds n ASN 37 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 2bds n ASN 37 Cb 0.48 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.88 0.00 -0.12 2.41 2.07 -0.26 -1.57 121.20 121.86 2bds s ILE 38 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 2bds s ILE 38 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2bds s ILE 38 CO 0.00 0.00 -0.08 0.00 -1.91 0.00 0.00 174.94 172.95 2bds s TYR 41 N 0.25 1.40 0.08 0.00 1.51 0.60 -2.59 117.35 118.60 2bds s TYR 41 Ca 0.01 -0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 54.98 2bds s TYR 41 Cb -0.13 -2.08 -0.16 0.00 -0.11 0.00 0.00 41.96 39.48 2bds s TYR 41 CO 0.01 -0.94 1.65 -1.35 -1.11 0.00 0.00 175.55 173.82 2bds h PRO 42 N 0.37 -0.62 0.00 -1.71 0.11 -1.83 -3.31 132.00 125.01 2bds h PRO 42 Ca -0.32 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2bds h PRO 42 Cb 1.30 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.55 2bds h PRO 42 CO 0.47 -0.41 0.00 -2.39 -0.21 0.00 0.00 178.00 175.45