#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bds s ALA 2 N 0.00 1.03 -0.93 0.00 0.00 -1.22 -4.72 121.76 115.93 1bds s ALA 2 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1bds s ALA 2 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1bds s ALA 2 CO 0.00 -3.01 0.50 -0.35 0.00 0.00 0.00 175.76 172.90 1bds n PRO 3 N -4.39 0.93 -2.73 0.00 -0.04 -1.26 -3.99 135.00 123.52 1bds n PRO 3 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1bds n PRO 3 Cb 0.53 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1bds n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bds s PHE 5 N 1.76 3.15 0.42 0.00 0.40 -1.26 0.28 117.98 122.73 1bds s PHE 5 Ca 0.47 1.15 0.02 0.00 -0.60 0.00 0.00 56.93 57.97 1bds s PHE 5 Cb -0.19 -3.03 0.02 0.00 0.51 0.00 0.00 43.02 40.33 1bds s PHE 5 CO 0.19 -1.35 0.14 0.00 0.70 0.00 0.00 175.22 174.90 1bds s SER 7 N -3.40 6.35 0.00 0.00 1.04 -1.26 -2.27 113.70 114.16 1bds s SER 7 Ca 0.10 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1bds s SER 7 Cb -0.01 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1bds s SER 7 CO 0.07 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1bds n GLY 8 N 4.98 2.88 3.35 7.32 0.00 -1.26 -5.05 105.19 117.41 1bds n GLY 8 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1bds n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bds s LYS 9 N -0.06 3.09 0.00 1.61 1.02 -0.96 -5.09 119.74 119.36 1bds s LYS 9 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1bds s LYS 9 Cb 0.00 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1bds s LYS 9 CO 0.00 -0.44 0.00 -0.35 -0.92 0.00 0.00 175.35 173.64 1bds n PRO 10 N 4.87 0.65 0.00 -1.68 -0.05 -1.26 -2.36 135.00 135.16 1bds n PRO 10 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.31 1bds n PRO 10 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.93 1bds n PRO 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1bds n GLY 11 N 1.87 1.75 3.66 0.55 0.00 -1.26 -4.58 105.19 107.18 1bds n GLY 11 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1bds n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bds s ARG 12 N 0.00 1.54 0.33 1.61 1.70 -1.26 -4.52 118.95 118.35 1bds s ARG 12 Ca 0.00 -0.74 -0.00 0.00 -0.47 0.00 0.00 55.73 54.51 1bds s ARG 12 Cb 0.00 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 34.97 1bds s ARG 12 CO 0.00 -0.69 0.41 0.20 -1.08 0.00 0.00 175.30 174.13 1bds s GLY 13 N -2.84 1.66 -0.12 3.88 0.00 0.79 -4.62 107.32 106.07 1bds s GLY 13 Ca 0.07 -1.64 -0.29 0.00 0.00 0.00 0.00 44.72 42.85 1bds s GLY 13 CO -0.02 -1.12 1.07 0.99 0.00 0.00 0.00 173.10 174.01 1bds s ASP 14 N -3.26 7.16 -0.43 1.64 1.11 -1.07 -2.39 116.67 119.43 1bds s ASP 14 Ca 0.33 1.57 -0.29 0.00 0.18 0.00 0.00 52.55 54.35 1bds s ASP 14 Cb 0.01 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1bds s ASP 14 CO 0.21 -0.54 1.17 -0.22 1.18 0.00 0.00 175.17 176.98 1bds s LEU 15 N 2.36 3.70 0.33 1.23 2.96 -1.26 0.22 118.68 128.22 1bds s LEU 15 Ca 0.50 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1bds s LEU 15 Cb -0.19 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1bds s LEU 15 CO 0.16 -1.20 0.55 0.26 -1.32 0.00 0.00 176.35 174.81 1bds s TRP 16 N 4.44 3.50 0.00 5.38 0.52 0.60 -4.60 118.94 128.78 1bds s TRP 16 Ca 0.50 0.47 0.00 0.00 0.02 0.00 0.00 56.10 57.09 1bds s TRP 16 Cb -0.09 -1.98 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 1bds s TRP 16 CO 0.28 0.13 0.00 -0.89 0.02 0.00 0.00 176.95 176.49 1bds n ILE 17 N -1.46 0.00 -1.84 2.03 5.41 -1.26 -0.12 119.36 122.11 1bds n ILE 17 Ca -0.03 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.44 1bds n ILE 17 Cb 0.55 -0.44 -0.07 0.00 -0.71 0.00 0.00 39.64 38.96 1bds n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bds n LEU 18 N 0.00 2.79 -4.22 1.39 -0.00 -0.73 -2.86 117.00 113.37 1bds n LEU 18 Ca 0.00 -2.98 -0.30 0.00 -0.00 0.00 0.00 56.01 52.73 1bds n LEU 18 Cb 0.00 -1.64 -0.17 0.00 -0.00 0.00 0.00 43.42 41.61 1bds n LEU 18 CO 0.00 -2.04 -0.55 -0.13 -0.00 0.00 0.00 177.39 174.67 1bds s ARG 19 N 6.73 2.53 0.44 1.47 0.52 -1.26 -4.96 118.95 124.41 1bds s ARG 19 Ca 0.70 -0.83 0.24 0.00 -0.52 0.00 0.00 55.73 55.32 1bds s ARG 19 Cb 0.01 -2.07 0.54 0.00 0.52 0.00 0.00 34.95 33.95 1bds s ARG 19 CO 0.15 0.29 1.67 0.78 0.02 0.00 0.00 175.30 178.21 1bds h GLY 20 N 6.31 0.00 -4.01 -3.53 0.00 -1.92 -3.43 103.07 96.49 1bds h GLY 20 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1bds h GLY 20 CO 0.47 0.00 -0.58 -0.51 0.00 0.00 0.00 176.54 175.92 1bds s THR 21 N -3.30 0.15 0.38 4.70 -4.23 -1.26 -5.12 115.64 106.96 1bds s THR 21 Ca 0.05 -1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 59.25 1bds s THR 21 Cb 0.07 -0.92 -0.06 0.00 1.34 0.00 0.00 72.50 72.92 1bds s THR 21 CO 0.66 -0.67 0.73 0.00 -0.54 0.00 0.00 174.62 174.80 1bds n PRO 23 N -1.20 2.11 0.01 0.00 -0.04 -1.26 -4.88 135.00 129.73 1bds n PRO 23 Ca 0.02 0.74 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 1bds n PRO 23 Cb 0.54 -2.41 0.39 0.00 -0.04 0.00 0.00 33.50 31.98 1bds n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bds n GLY 24 N 0.74 -1.37 0.29 0.55 0.00 -1.26 -3.62 105.19 100.52 1bds n GLY 24 Ca 0.05 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1bds n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bds n GLY 25 N 1.48 -0.47 0.07 -0.02 0.00 -1.26 -4.40 105.19 100.59 1bds n GLY 25 Ca 0.06 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1bds n GLY 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bds h TYR 26 N 1.44 0.00 0.00 1.61 -1.99 -1.96 -3.48 116.97 112.59 1bds h TYR 26 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1bds h TYR 26 Cb 0.58 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1bds h TYR 26 CO 0.00 0.61 0.00 0.41 -0.00 0.00 0.00 178.16 179.18 1bds n GLY 27 N 1.65 -0.97 3.54 3.88 0.00 -1.26 -5.14 105.19 106.89 1bds n GLY 27 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1bds n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bds s TYR 28 N 0.00 1.26 0.00 1.61 2.02 -1.26 -4.78 117.35 116.20 1bds s TYR 28 Ca 0.00 0.94 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1bds s TYR 28 Cb 0.00 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 1bds s TYR 28 CO 0.00 -3.73 0.00 0.25 -1.57 0.00 0.00 175.55 170.50 1bds n THR 29 N -4.77 0.00 -3.45 -0.71 -2.24 -1.15 -4.94 114.28 97.02 1bds n THR 29 Ca 0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.46 1bds n THR 29 Cb 0.57 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 1bds n THR 29 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bds s SER 30 N -1.00 6.43 0.09 3.42 1.04 -1.16 -4.99 113.70 117.54 1bds s SER 30 Ca 0.00 0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.81 1bds s SER 30 Cb 0.00 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 63.93 1bds s SER 30 CO 0.00 -0.01 0.30 0.54 0.98 0.00 0.00 173.24 175.05 1bds s ASN 31 N 0.84 -0.08 0.08 7.02 2.20 -1.26 0.12 114.94 123.86 1bds s ASN 31 Ca 0.18 -0.41 0.08 0.00 -0.94 0.00 0.00 52.86 51.77 1bds s ASN 31 Cb -0.14 0.40 -0.03 0.00 -2.00 0.00 0.00 41.25 39.48 1bds s ASN 31 CO 0.07 -0.75 -0.21 0.00 -2.94 0.00 0.00 177.10 173.27 1bds s TYR 33 N -1.01 1.72 -0.40 0.00 1.51 -1.26 -2.05 117.35 115.86 1bds s TYR 33 Ca 0.07 -0.71 0.08 0.00 -1.01 0.00 0.00 57.07 55.50 1bds s TYR 33 Cb -0.09 -1.24 0.25 0.00 -0.11 0.00 0.00 41.96 40.77 1bds s TYR 33 CO 0.03 -0.36 0.58 1.63 -1.11 0.00 0.00 175.55 176.32 1bds n LYS 34 N 3.94 0.73 -1.01 -0.62 5.02 -0.92 -4.97 118.16 120.34 1bds n LYS 34 Ca -0.21 -3.04 -0.34 0.00 -2.02 0.00 0.00 58.31 52.70 1bds n LYS 34 Cb 0.52 -1.26 0.10 0.00 -0.02 0.00 0.00 35.03 34.36 1bds n LYS 34 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1bds n TRP 35 N 1.38 -1.18 -0.34 2.13 -0.00 -1.26 -1.01 117.44 117.17 1bds n TRP 35 Ca 0.20 0.28 0.00 0.00 -0.00 0.00 0.00 57.50 57.98 1bds n TRP 35 Cb 0.55 -1.84 0.00 0.00 -0.00 0.00 0.00 31.31 30.02 1bds n TRP 35 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1bds n PRO 36 N -1.25 0.93 -0.62 5.87 -0.04 -1.26 -4.99 135.00 133.65 1bds n PRO 36 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1bds n PRO 36 Cb 0.52 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1bds n PRO 36 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1bds n ASN 37 N 1.44 0.00 -3.51 3.54 3.02 -0.18 -1.77 115.26 117.80 1bds n ASN 37 Ca 0.00 -0.31 -0.17 0.00 -0.03 0.00 0.00 54.58 54.07 1bds n ASN 37 Cb 0.47 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1bds n ASN 37 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1bds s ILE 38 N -1.34 0.00 0.16 2.41 2.07 0.82 -2.17 121.20 123.16 1bds s ILE 38 Ca 0.00 -0.02 0.10 0.00 -1.41 0.00 0.00 60.65 59.32 1bds s ILE 38 Cb 0.00 -0.99 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 1bds s ILE 38 CO 0.00 -0.01 -0.20 0.00 -1.91 0.00 0.00 174.94 172.82 1bds s TYR 41 N -0.60 2.51 0.67 0.00 1.51 0.31 -2.59 117.35 119.15 1bds s TYR 41 Ca 0.06 -0.52 -0.11 0.00 -1.01 0.00 0.00 57.07 55.50 1bds s TYR 41 Cb -0.08 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1bds s TYR 41 CO 0.00 0.47 1.05 -1.25 -1.11 0.00 0.00 175.55 174.72 1bds s PRO 42 N -3.70 3.16 0.00 -1.71 0.04 -1.22 -2.96 135.00 128.61 1bds s PRO 42 Ca 0.35 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1bds s PRO 42 Cb 0.03 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1bds s PRO 42 CO 0.19 -0.89 0.49 -2.39 0.04 0.00 0.00 177.00 174.44