#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 -0.76 0.87 0.00 0.00 -1.18 -4.83 120.51 114.61 2bds n ALA 2 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 2bds n ALA 2 Cb 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 19.45 17.56 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 0.11 1.11 -3.03 0.00 -0.04 -1.26 -3.11 135.00 128.78 2bds n PRO 3 Ca 0.11 -0.19 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2bds n PRO 3 Cb 0.42 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 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 5.76 -3.83 -3.80 0.00 3.72 -1.26 0.34 117.46 118.39 2bds n PHE 5 Ca 0.02 -0.68 -0.09 0.00 -0.05 0.00 0.00 57.45 56.65 2bds n PHE 5 Cb 0.48 -0.51 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 2bds n PHE 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bds s SER 7 N -2.42 6.73 0.00 0.00 0.15 -1.26 -2.57 113.70 114.34 2bds s SER 7 Ca 0.17 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2bds s SER 7 Cb -0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2bds s SER 7 CO 0.12 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2bds n GLY 8 N 4.40 1.86 3.49 9.45 0.00 -1.26 -5.03 105.19 118.10 2bds n GLY 8 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.61 2.97 0.00 1.61 1.02 -1.06 -5.11 119.74 118.56 2bds s LYS 9 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2bds s LYS 9 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2bds s LYS 9 CO 0.00 0.48 0.00 -2.30 -0.92 0.00 0.00 175.35 172.61 2bds n PRO 10 N 2.76 1.00 0.00 -1.68 -0.02 -1.26 -2.96 135.00 132.84 2bds n PRO 10 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2bds n PRO 10 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2bds n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bds n GLY 11 N 0.00 0.26 3.56 -1.23 0.00 -1.26 -3.94 105.19 102.58 2bds n GLY 11 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.12 0.92 0.31 1.61 1.70 -1.26 -4.30 118.95 117.81 2bds s ARG 12 Ca 0.00 0.46 -0.19 0.00 -0.47 0.00 0.00 55.73 55.52 2bds s ARG 12 Cb 0.00 0.44 0.04 0.00 -0.57 0.00 0.00 34.95 34.86 2bds s ARG 12 CO 0.00 -0.24 0.77 0.20 -1.08 0.00 0.00 175.30 174.95 2bds s GLY 13 N -0.70 0.08 0.06 3.88 0.00 1.05 -4.61 107.32 107.07 2bds s GLY 13 Ca -0.06 -0.45 -0.25 0.00 0.00 0.00 0.00 44.72 43.95 2bds s GLY 13 CO 0.06 -0.09 0.78 0.99 0.00 0.00 0.00 173.10 174.85 2bds s ASP 14 N -2.99 7.25 -0.13 1.64 1.11 -0.23 -3.10 116.67 120.22 2bds s ASP 14 Ca 0.13 1.49 -0.13 0.00 0.18 0.00 0.00 52.55 54.23 2bds s ASP 14 Cb -0.05 -2.48 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 2bds s ASP 14 CO 0.08 0.02 0.28 -0.22 1.18 0.00 0.00 175.17 176.51 2bds s LEU 15 N -0.14 4.31 0.06 1.23 2.96 -1.26 0.22 118.68 126.05 2bds s LEU 15 Ca 0.39 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.89 2bds s LEU 15 Cb -0.21 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 2bds s LEU 15 CO 0.24 0.20 -0.09 0.26 -1.32 0.00 0.00 176.35 175.64 2bds s TRP 16 N -0.08 0.79 0.00 5.38 0.52 0.45 -4.82 118.94 121.18 2bds s TRP 16 Ca 0.17 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 55.74 2bds s TRP 16 Cb -0.13 -0.46 0.00 0.00 -1.15 0.00 0.00 33.47 31.72 2bds s TRP 16 CO 0.05 -0.07 0.00 -0.89 0.02 0.00 0.00 176.95 176.07 2bds n ILE 17 N 1.22 0.00 -0.86 2.03 -0.00 -1.26 0.21 119.36 120.71 2bds n ILE 17 Ca -0.21 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.17 2bds n ILE 17 Cb 0.55 -1.32 -0.06 0.00 -0.00 0.00 0.00 39.64 38.81 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 3.31 -4.41 1.39 -0.00 0.16 -1.87 117.00 115.57 2bds n LEU 18 Ca 0.00 -2.47 -0.40 0.00 -0.00 0.00 0.00 56.01 53.14 2bds n LEU 18 Cb 0.00 -0.94 -0.11 0.00 -0.00 0.00 0.00 43.42 42.37 2bds n LEU 18 CO 0.00 -0.58 -0.16 -0.13 -0.00 0.00 0.00 177.39 176.51 2bds s ARG 19 N 5.11 3.03 0.62 1.47 0.52 -1.26 -4.93 118.95 123.51 2bds s ARG 19 Ca 0.52 -0.94 0.34 0.00 -0.52 0.00 0.00 55.73 55.13 2bds s ARG 19 Cb 0.13 -3.70 1.96 0.00 0.52 0.00 0.00 34.95 33.86 2bds s ARG 19 CO 0.13 -0.60 2.24 0.78 0.02 0.00 0.00 175.30 177.87 2bds h GLY 20 N 8.43 0.00 -3.56 -3.53 0.00 -1.99 -3.43 103.07 98.99 2bds h GLY 20 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2bds h GLY 20 CO 0.65 0.00 -0.16 -0.51 0.00 0.00 0.00 176.54 176.52 2bds s THR 21 N -4.47 0.07 0.21 4.70 -4.23 -1.26 -5.12 115.64 105.55 2bds s THR 21 Ca -0.05 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.76 2bds s THR 21 Cb 0.14 -1.03 -0.07 0.00 1.34 0.00 0.00 72.50 72.88 2bds s THR 21 CO 0.49 -0.34 0.52 0.00 -0.54 0.00 0.00 174.62 174.75 2bds n PRO 23 N -0.06 1.82 0.00 0.00 -0.01 -1.26 -4.81 135.00 130.67 2bds n PRO 23 Ca -0.00 0.66 0.05 0.00 -0.01 0.00 0.00 63.50 64.19 2bds n PRO 23 Cb 0.52 -2.39 0.28 0.00 -0.01 0.00 0.00 33.50 31.90 2bds n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2bds n GLY 24 N 3.29 -0.97 0.06 -1.23 0.00 -1.26 -2.75 105.19 102.33 2bds n GLY 24 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 0.61 0.14 0.12 -0.02 0.00 -1.26 -4.57 105.19 100.20 2bds n GLY 25 Ca 0.07 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 0.29 0.58 0.00 1.61 -1.99 -1.89 -3.47 116.97 112.09 2bds h TYR 26 Ca 0.00 -0.41 0.00 0.00 2.00 0.00 0.00 58.73 60.32 2bds h TYR 26 Cb 0.14 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.85 2bds h TYR 26 CO 0.00 1.31 0.00 0.41 -0.00 0.00 0.00 178.16 179.88 2bds n GLY 27 N 1.50 1.30 3.45 3.88 0.00 -1.26 -5.12 105.19 108.94 2bds n GLY 27 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.21 1.15 0.00 1.61 2.02 -1.26 -4.90 117.35 114.77 2bds s TYR 28 Ca 0.00 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 2bds s TYR 28 Cb 0.00 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.50 2bds s TYR 28 CO 0.00 -4.10 0.00 0.25 -1.57 0.00 0.00 175.55 170.13 2bds n THR 29 N -5.07 0.00 -3.60 -0.71 -2.24 -1.23 -4.95 114.28 96.49 2bds n THR 29 Ca 0.03 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.45 2bds n THR 29 Cb 0.55 0.00 -0.07 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 -1.50 6.36 0.10 3.42 1.04 -1.21 -5.03 113.70 116.88 2bds s SER 30 Ca 0.00 0.41 -0.25 0.00 0.48 0.00 0.00 55.95 56.59 2bds s SER 30 Cb 0.00 -2.15 0.07 0.00 0.10 0.00 0.00 66.02 64.04 2bds s SER 30 CO 0.00 0.12 0.62 0.54 0.98 0.00 0.00 173.24 175.49 2bds s ASN 31 N 0.47 -0.58 0.00 7.02 2.20 -1.26 -0.21 114.94 122.58 2bds s ASN 31 Ca 0.14 0.18 0.07 0.00 -0.94 0.00 0.00 52.86 52.31 2bds s ASN 31 Cb -0.12 0.58 -0.03 0.00 -2.00 0.00 0.00 41.25 39.68 2bds s ASN 31 CO 0.02 -0.87 -0.22 0.00 -2.94 0.00 0.00 177.10 173.09 2bds s TYR 33 N -0.75 2.75 -0.42 0.00 1.51 -1.26 -2.12 117.35 117.05 2bds s TYR 33 Ca 0.12 -1.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.03 2bds s TYR 33 Cb -0.10 -1.87 0.17 0.00 -0.11 0.00 0.00 41.96 40.04 2bds s TYR 33 CO 0.01 -0.55 0.40 -1.59 -1.11 0.00 0.00 175.55 172.71 2bds s LYS 34 N 0.88 0.90 0.98 -0.62 -2.85 -0.73 -5.00 119.74 113.30 2bds s LYS 34 Ca -0.05 -1.82 -0.17 0.00 -1.00 0.00 0.00 55.97 52.93 2bds s LYS 34 Cb -0.15 -1.13 -0.15 0.00 -2.06 0.00 0.00 37.83 34.34 2bds s LYS 34 CO -0.02 -1.36 -0.78 0.91 0.10 0.00 0.00 175.35 174.20 2bds n TRP 35 N 2.99 -5.16 0.89 1.78 7.02 -1.26 -2.29 117.44 121.41 2bds n TRP 35 Ca 0.26 -0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.72 2bds n TRP 35 Cb 0.49 -1.44 0.00 0.00 -2.42 0.00 0.00 31.31 27.94 2bds n TRP 35 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2bds n PRO 36 N 2.46 0.89 -4.24 -0.99 -0.04 -1.26 -4.96 135.00 126.86 2bds n PRO 36 Ca -0.02 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 2bds n PRO 36 Cb 0.56 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.61 2bds n PRO 36 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2bds s ASN 37 N 0.23 1.05 0.02 3.54 0.01 -0.97 -0.66 114.94 118.16 2bds s ASN 37 Ca 0.00 -1.60 0.02 0.00 -0.71 0.00 0.00 52.86 50.57 2bds s ASN 37 Cb 0.00 0.50 -0.02 0.00 0.41 0.00 0.00 41.25 42.15 2bds s ASN 37 CO 0.00 -1.00 -0.06 -0.51 -1.51 0.00 0.00 177.10 174.01 2bds s ILE 38 N -3.68 0.46 -0.24 0.60 2.07 0.13 -1.77 121.20 118.77 2bds s ILE 38 Ca 0.39 -0.71 -0.02 0.00 -1.41 0.00 0.00 60.65 58.90 2bds s ILE 38 Cb 0.04 -0.48 0.02 0.00 0.13 0.00 0.00 42.46 42.17 2bds s ILE 38 CO 0.21 -0.18 -0.06 0.00 -1.91 0.00 0.00 174.94 173.00 2bds s TYR 41 N -2.72 1.27 0.51 0.00 1.51 0.71 -1.07 117.35 117.56 2bds s TYR 41 Ca 0.47 -0.86 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2bds s TYR 41 Cb -0.10 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 2bds s TYR 41 CO 0.44 -0.02 0.84 -1.25 -1.11 0.00 0.00 175.55 174.44 2bds s PRO 42 N -3.81 3.51 0.00 -1.71 0.04 -1.25 -3.31 135.00 128.46 2bds s PRO 42 Ca 0.20 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.57 2bds s PRO 42 Cb 0.04 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 32.30 2bds s PRO 42 CO 0.02 -0.30 0.66 -2.39 0.04 0.00 0.00 177.00 175.03