#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 2.77 -0.20 0.00 0.00 -1.25 -4.82 121.76 118.26 2bds s ALA 2 Ca 0.00 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.64 2bds s ALA 2 Cb 0.00 -3.29 0.25 0.00 0.00 0.00 0.00 23.12 20.08 2bds s ALA 2 CO 0.00 -0.59 1.49 -0.35 0.00 0.00 0.00 175.76 176.31 2bds n PRO 3 N -1.28 1.54 -2.30 0.00 -0.04 -1.25 -3.65 135.00 128.02 2bds n PRO 3 Ca 0.10 -1.24 -0.43 0.00 -0.04 0.00 0.00 63.50 61.90 2bds n PRO 3 Cb 0.52 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2bds n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bds n PHE 5 N 6.50 -3.88 -3.85 0.00 3.01 -1.26 0.30 117.46 118.28 2bds n PHE 5 Ca 0.14 -0.51 -0.08 0.00 1.01 0.00 0.00 57.45 58.01 2bds n PHE 5 Cb 0.44 -0.47 -0.02 0.00 -0.01 0.00 0.00 39.48 39.42 2bds n PHE 5 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bds s SER 7 N -2.20 7.15 0.00 0.00 0.15 -1.26 -2.56 113.70 114.98 2bds s SER 7 Ca 0.16 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.74 2bds s SER 7 Cb -0.01 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2bds s SER 7 CO 0.12 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2bds n GLY 8 N 3.13 2.90 2.91 9.45 0.00 -1.26 -4.96 105.19 117.36 2bds n GLY 8 Ca 0.08 0.00 -0.30 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 -0.04 1.46 0.49 1.61 1.02 -1.06 -5.11 119.74 118.11 2bds s LYS 9 Ca 0.00 -0.92 -0.20 0.00 0.02 0.00 0.00 55.97 54.87 2bds s LYS 9 Cb 0.00 -2.52 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 2bds s LYS 9 CO 0.00 -0.62 1.03 -1.25 -0.92 0.00 0.00 175.35 173.59 2bds s PRO 10 N 1.46 3.80 0.00 -1.68 0.05 -1.26 -2.65 135.00 134.72 2bds s PRO 10 Ca -0.05 1.29 0.00 0.00 0.05 0.00 0.00 61.00 62.30 2bds s PRO 10 Cb -0.19 -2.10 0.00 0.00 0.05 0.00 0.00 34.50 32.26 2bds s PRO 10 CO -0.07 -0.42 0.00 0.41 0.05 0.00 0.00 177.00 176.97 2bds n GLY 11 N -0.45 1.95 3.53 0.56 0.00 -1.26 -4.94 105.19 104.57 2bds n GLY 11 Ca 0.09 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 1.04 0.01 1.61 1.70 -1.26 -4.48 118.95 117.57 2bds s ARG 12 Ca 0.00 0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 55.57 2bds s ARG 12 Cb 0.00 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 2bds s ARG 12 CO 0.00 -0.31 0.00 0.20 -1.08 0.00 0.00 175.30 174.11 2bds s GLY 13 N -1.05 0.17 -0.17 3.88 0.00 0.87 -4.68 107.32 106.35 2bds s GLY 13 Ca -0.10 -0.43 -0.29 0.00 0.00 0.00 0.00 44.72 43.90 2bds s GLY 13 CO 0.09 -0.50 1.14 0.99 0.00 0.00 0.00 173.10 174.82 2bds s ASP 14 N -1.23 7.05 -0.09 1.64 1.11 -0.97 -2.59 116.67 121.59 2bds s ASP 14 Ca -0.13 1.56 -0.26 0.00 0.18 0.00 0.00 52.55 53.90 2bds s ASP 14 Cb -0.08 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 2bds s ASP 14 CO -0.00 -0.67 0.82 -0.22 1.18 0.00 0.00 175.17 176.27 2bds s LEU 15 N 3.09 4.27 0.17 1.23 2.96 -1.26 0.22 118.68 129.36 2bds s LEU 15 Ca 0.50 1.30 0.11 0.00 -0.22 0.00 0.00 54.13 55.82 2bds s LEU 15 Cb -0.19 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 2bds s LEU 15 CO 0.12 -0.26 -0.25 0.26 -1.32 0.00 0.00 176.35 174.90 2bds s TRP 16 N 1.39 2.32 0.00 5.38 0.52 0.43 -4.59 118.94 124.38 2bds s TRP 16 Ca 0.41 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.17 2bds s TRP 16 Cb -0.18 -1.19 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 2bds s TRP 16 CO 0.18 0.44 0.00 -0.89 0.02 0.00 0.00 176.95 176.70 2bds n ILE 17 N 0.50 0.00 -0.91 2.03 -0.00 -1.26 -0.22 119.36 119.50 2bds n ILE 17 Ca -0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.20 2bds n ILE 17 Cb 0.55 -1.71 -0.07 0.00 -0.00 0.00 0.00 39.64 38.41 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 3.23 -4.62 1.39 -0.00 -0.12 -3.07 117.00 113.81 2bds n LEU 18 Ca 0.00 -2.47 -0.34 0.00 -0.00 0.00 0.00 56.01 53.20 2bds n LEU 18 Cb 0.00 -0.93 -0.10 0.00 -0.00 0.00 0.00 43.42 42.38 2bds n LEU 18 CO 0.00 -0.73 -0.32 -0.60 -0.00 0.00 0.00 177.39 175.74 2bds s ARG 19 N 5.38 3.20 0.46 1.47 3.52 -1.26 -4.95 118.95 126.77 2bds s ARG 19 Ca 0.57 -0.45 0.26 0.00 -0.13 0.00 0.00 55.73 55.98 2bds s ARG 19 Cb 0.14 -2.83 0.77 0.00 -1.56 0.00 0.00 34.95 31.47 2bds s ARG 19 CO 0.16 0.55 1.76 0.78 -0.81 0.00 0.00 175.30 177.74 2bds h GLY 20 N 5.67 0.00 -3.34 8.12 0.00 -1.97 -3.46 103.07 108.09 2bds h GLY 20 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 2bds h GLY 20 CO 0.57 0.00 0.03 -0.51 0.00 0.00 0.00 176.54 176.64 2bds s THR 21 N -3.42 0.04 0.57 4.70 -4.23 -1.26 -5.16 115.64 106.88 2bds s THR 21 Ca 0.03 -0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.11 2bds s THR 21 Cb 0.08 -1.04 -0.05 0.00 1.34 0.00 0.00 72.50 72.82 2bds s THR 21 CO 0.63 -0.17 1.00 0.00 -0.54 0.00 0.00 174.62 175.54 2bds n PRO 23 N -2.28 -2.26 -0.01 0.00 -0.04 -1.26 -4.97 135.00 124.18 2bds n PRO 23 Ca 0.06 -0.45 0.01 0.00 -0.04 0.00 0.00 63.50 63.08 2bds n PRO 23 Cb 0.54 -0.50 0.01 0.00 -0.04 0.00 0.00 33.50 33.51 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 -0.67 2.99 0.71 0.55 0.00 -1.26 -4.58 105.19 102.93 2bds n GLY 24 Ca 0.04 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.57 0.48 0.26 -0.02 0.00 -1.26 -4.51 105.19 99.57 2bds n GLY 25 Ca 0.02 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 0.69 0.00 0.00 1.61 4.02 -1.26 -5.05 117.16 117.17 2bds n TYR 26 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2bds n TYR 26 Cb 0.51 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 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 1.57 1.94 3.90 2.72 0.00 -1.26 -5.13 105.19 108.93 2bds n GLY 27 Ca -0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 2.51 0.00 1.61 2.02 -1.26 -4.87 117.35 115.36 2bds s TYR 28 Ca 0.00 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 2bds s TYR 28 Cb 0.00 -3.67 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 2bds s TYR 28 CO 0.00 -2.09 0.00 0.25 -1.57 0.00 0.00 175.55 172.14 2bds n THR 29 N -3.49 0.00 -3.25 -0.71 -2.24 -1.24 -5.00 114.28 98.34 2bds n THR 29 Ca 0.10 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.42 2bds n THR 29 Cb 0.60 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.57 6.32 0.09 3.42 1.04 -1.19 -4.99 113.70 116.81 2bds s SER 30 Ca 0.00 -1.90 0.06 0.00 0.48 0.00 0.00 55.95 54.59 2bds s SER 30 Cb 0.00 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 2bds s SER 30 CO 0.00 -0.87 -0.15 0.54 0.98 0.00 0.00 173.24 173.74 2bds s ASN 31 N 3.32 1.87 0.03 7.02 6.03 -1.25 -1.56 114.94 130.40 2bds s ASN 31 Ca 0.09 -0.67 0.04 0.00 -1.03 0.00 0.00 52.86 51.28 2bds s ASN 31 Cb -0.24 -0.06 -0.04 0.00 -3.03 0.00 0.00 41.25 37.88 2bds s ASN 31 CO 0.01 -0.08 -0.05 0.00 -2.03 0.00 0.00 177.10 174.96 2bds s TYR 33 N -1.10 2.54 -0.54 0.00 1.51 -1.26 -1.93 117.35 116.56 2bds s TYR 33 Ca 0.20 -1.14 0.06 0.00 -1.01 0.00 0.00 57.07 55.18 2bds s TYR 33 Cb -0.11 -1.71 0.23 0.00 -0.11 0.00 0.00 41.96 40.25 2bds s TYR 33 CO 0.11 -0.49 0.58 1.63 -1.11 0.00 0.00 175.55 176.27 2bds n LYS 34 N 3.76 1.55 -1.00 -0.62 5.02 -0.71 -4.94 118.16 121.21 2bds n LYS 34 Ca -0.19 -4.00 -0.32 0.00 -2.02 0.00 0.00 58.31 51.78 2bds n LYS 34 Cb 0.52 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.47 -1.97 -0.04 2.13 -0.00 -1.26 -1.55 117.44 116.22 2bds n TRP 35 Ca 0.26 0.42 0.00 0.00 -0.00 0.00 0.00 57.50 58.18 2bds n TRP 35 Cb 0.45 -1.36 0.00 0.00 -0.00 0.00 0.00 31.31 30.39 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 1.12 0.92 -0.36 5.87 -0.04 -1.26 -4.99 135.00 136.26 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 0.34 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 1.23 0.00 -3.63 3.54 3.02 -0.59 -0.94 115.26 117.88 2bds n ASN 37 Ca 0.00 -0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.20 2bds n ASN 37 Cb 0.46 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.89 0.00 -0.22 2.41 2.07 0.69 -1.74 121.20 122.53 2bds s ILE 38 Ca 0.00 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.21 2bds s ILE 38 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 2bds s ILE 38 CO 0.00 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 172.97 2bds s TYR 41 N -1.29 2.30 0.61 0.00 1.51 -0.60 -2.29 117.35 117.58 2bds s TYR 41 Ca 0.34 -0.68 -0.12 0.00 -1.01 0.00 0.00 57.07 55.60 2bds s TYR 41 Cb -0.18 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 2bds s TYR 41 CO 0.20 0.39 1.03 -1.25 -1.11 0.00 0.00 175.55 174.80 2bds s PRO 42 N -3.72 3.55 0.00 -1.71 0.04 -1.13 -3.19 135.00 128.83 2bds s PRO 42 Ca 0.34 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2bds s PRO 42 Cb 0.07 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2bds s PRO 42 CO 0.16 -0.61 0.49 -2.39 0.04 0.00 0.00 177.00 174.70