#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 -0.40 -0.05 0.00 0.00 -1.24 -4.84 120.51 113.98 2bds n ALA 2 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 2bds n ALA 2 Cb 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 -0.37 1.35 -2.59 0.00 -0.04 -1.26 -3.56 135.00 128.54 2bds n PRO 3 Ca 0.12 -0.77 -0.43 0.00 -0.04 0.00 0.00 63.50 62.38 2bds n PRO 3 Cb 0.46 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.56 3.25 0.36 0.00 0.40 -1.26 0.28 117.98 123.57 2bds s PHE 5 Ca 0.50 1.05 0.06 0.00 -0.60 0.00 0.00 56.93 57.95 2bds s PHE 5 Cb -0.20 -3.09 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 2bds s PHE 5 CO 0.16 -1.28 0.23 0.00 0.70 0.00 0.00 175.22 175.03 2bds s SER 7 N -3.46 7.31 0.00 0.00 1.04 -1.26 -2.67 113.70 114.66 2bds s SER 7 Ca 0.35 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.69 2bds s SER 7 Cb 0.02 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2bds s SER 7 CO 0.23 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2bds n GLY 8 N 2.50 2.90 2.73 7.32 0.00 -1.26 -4.95 105.19 114.42 2bds n GLY 8 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.19 0.52 0.00 1.61 3.01 -1.09 -5.13 119.74 118.46 2bds s LYS 9 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 55.97 54.82 2bds s LYS 9 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 37.83 35.25 2bds s LYS 9 CO 0.00 -0.50 0.00 -0.35 0.51 0.00 0.00 175.35 175.01 2bds n PRO 10 N 5.13 0.85 0.00 -1.68 -0.04 -1.26 -2.35 135.00 135.65 2bds n PRO 10 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2bds n PRO 10 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2bds n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bds n GLY 11 N 3.43 1.79 3.38 0.55 0.00 -1.26 -4.69 105.19 108.39 2bds n GLY 11 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 1.16 0.12 1.61 1.70 -1.26 -4.42 118.95 117.86 2bds s ARG 12 Ca 0.00 -0.50 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 2bds s ARG 12 Cb 0.00 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 2bds s ARG 12 CO 0.00 -0.47 -0.03 0.20 -1.08 0.00 0.00 175.30 173.92 2bds s GLY 13 N -2.60 0.90 -0.02 3.88 0.00 0.81 -4.49 107.32 105.79 2bds s GLY 13 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 2bds s GLY 13 CO -0.10 -1.46 1.02 0.99 0.00 0.00 0.00 173.10 173.55 2bds s ASP 14 N -3.07 7.30 -0.47 1.64 1.11 -0.92 -3.17 116.67 119.08 2bds s ASP 14 Ca 0.16 1.67 -0.20 0.00 0.18 0.00 0.00 52.55 54.36 2bds s ASP 14 Cb 0.06 -2.57 0.04 0.00 1.07 0.00 0.00 42.92 41.52 2bds s ASP 14 CO -0.02 -0.34 0.65 -0.22 1.18 0.00 0.00 175.17 176.42 2bds s LEU 15 N 1.31 4.65 0.07 1.23 2.96 -1.26 0.80 118.68 128.44 2bds s LEU 15 Ca 0.52 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2bds s LEU 15 Cb -0.21 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2bds s LEU 15 CO 0.25 -0.85 0.22 0.26 -1.32 0.00 0.00 176.35 174.91 2bds s TRP 16 N 2.83 3.52 0.00 5.38 0.52 0.59 -4.82 118.94 126.95 2bds s TRP 16 Ca 0.20 0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.57 2bds s TRP 16 Cb -0.16 -1.76 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 2bds s TRP 16 CO 0.16 0.58 0.00 -0.89 0.02 0.00 0.00 176.95 176.82 2bds n ILE 17 N 0.22 0.00 -1.21 2.03 5.41 -1.26 0.17 119.36 124.72 2bds n ILE 17 Ca -0.05 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.32 2bds n ILE 17 Cb 0.51 -0.97 -0.08 0.00 -0.71 0.00 0.00 39.64 38.39 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 2.85 -4.13 1.39 -0.00 0.04 -2.96 117.00 114.20 2bds n LEU 18 Ca 0.00 -2.56 -0.35 0.00 -0.00 0.00 0.00 56.01 53.10 2bds n LEU 18 Cb 0.00 -1.14 -0.13 0.00 -0.00 0.00 0.00 43.42 42.15 2bds n LEU 18 CO 0.00 -1.38 -0.26 -0.13 -0.00 0.00 0.00 177.39 175.62 2bds s ARG 19 N 6.13 2.11 0.57 1.47 0.52 -1.26 -4.94 118.95 123.54 2bds s ARG 19 Ca 0.65 -1.61 0.30 0.00 -0.52 0.00 0.00 55.73 54.55 2bds s ARG 19 Cb 0.10 -3.38 1.46 0.00 0.52 0.00 0.00 34.95 33.64 2bds s ARG 19 CO 0.19 -0.88 1.86 0.78 0.02 0.00 0.00 175.30 177.27 2bds h GLY 20 N 7.98 0.00 -3.56 -3.53 0.00 -1.94 -3.41 103.07 98.61 2bds h GLY 20 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2bds h GLY 20 CO 0.61 0.00 -0.41 -0.51 0.00 0.00 0.00 176.54 176.24 2bds s THR 21 N -4.78 0.13 0.62 4.70 -4.23 -1.26 -5.10 115.64 105.73 2bds s THR 21 Ca -0.04 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 2bds s THR 21 Cb 0.18 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 2bds s THR 21 CO 0.65 -0.60 1.03 0.00 -0.54 0.00 0.00 174.62 175.17 2bds n PRO 23 N -2.75 -1.29 -3.77 0.00 -0.02 -1.26 -4.95 135.00 120.96 2bds n PRO 23 Ca 0.06 -0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 60.81 2bds n PRO 23 Cb 0.54 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 2bds n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2bds s GLY 24 N -1.74 2.25 -0.00 -1.23 0.00 -1.26 -4.16 107.32 101.18 2bds s GLY 24 Ca 0.53 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2bds s GLY 24 CO 0.66 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 174.12 2bds n GLY 25 N 1.82 0.49 0.62 0.20 0.00 -1.26 -5.03 105.19 102.04 2bds n GLY 25 Ca -0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.99 -3.94 0.61 1.61 4.02 -1.26 -4.96 117.16 110.25 2bds n TYR 26 Ca -0.00 -0.19 0.10 0.00 -0.01 0.00 0.00 57.90 57.80 2bds n TYR 26 Cb 0.01 -0.17 0.27 0.00 -0.02 0.00 0.00 39.34 39.43 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 3.45 1.17 3.93 2.72 0.00 -1.26 -4.94 105.19 110.26 2bds n GLY 27 Ca 0.03 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.52 3.03 0.00 1.61 2.02 -1.26 -4.67 117.35 116.56 2bds s TYR 28 Ca 0.35 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 2bds s TYR 28 Cb 0.19 -2.95 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 2bds s TYR 28 CO 0.27 -1.11 0.00 0.25 -1.57 0.00 0.00 175.55 173.39 2bds n THR 29 N -2.70 0.00 -3.52 -0.71 -2.24 -1.23 -4.99 114.28 98.89 2bds n THR 29 Ca 0.07 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 2bds n THR 29 Cb 0.59 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.60 6.08 0.03 3.42 1.04 -1.23 -5.02 113.70 116.42 2bds s SER 30 Ca 0.00 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 2bds s SER 30 Cb 0.00 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 2bds s SER 30 CO 0.00 -0.19 0.08 0.54 0.98 0.00 0.00 173.24 174.64 2bds s ASN 31 N 1.73 0.18 -0.04 7.02 6.03 -1.26 -0.59 114.94 128.01 2bds s ASN 31 Ca 0.08 -0.49 0.03 0.00 -1.03 0.00 0.00 52.86 51.45 2bds s ASN 31 Cb -0.17 0.20 -0.03 0.00 -3.03 0.00 0.00 41.25 38.22 2bds s ASN 31 CO 0.11 -0.45 -0.12 0.00 -2.03 0.00 0.00 177.10 174.61 2bds s TYR 33 N -0.79 2.49 -0.50 0.00 1.51 -1.26 -2.37 117.35 116.43 2bds s TYR 33 Ca 0.12 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 2bds s TYR 33 Cb -0.11 -1.49 0.19 0.00 -0.11 0.00 0.00 41.96 40.44 2bds s TYR 33 CO 0.02 0.14 0.72 -1.59 -1.11 0.00 0.00 175.55 173.73 2bds s LYS 34 N -1.05 1.04 0.91 -0.62 0.00 -0.99 -4.98 119.74 114.05 2bds s LYS 34 Ca 0.12 -0.96 -0.14 0.00 0.00 0.00 0.00 55.97 55.00 2bds s LYS 34 Cb -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 37.83 37.70 2bds s LYS 34 CO 0.02 -1.30 0.32 0.91 0.00 0.00 0.00 175.35 175.30 2bds n TRP 35 N 3.12 -1.67 0.52 1.78 7.02 -1.26 -1.72 117.44 125.23 2bds n TRP 35 Ca 0.17 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.88 2bds n TRP 35 Cb 0.56 -1.78 0.00 0.00 -2.42 0.00 0.00 31.31 27.67 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 -1.14 0.99 -1.06 -0.99 -0.04 -1.26 -4.99 135.00 126.50 2bds n PRO 36 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2bds n PRO 36 Cb 0.53 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.82 0.00 -3.60 3.54 3.02 -0.70 -0.78 115.26 117.57 2bds n ASN 37 Ca 0.00 -0.61 -0.12 0.00 -0.03 0.00 0.00 54.58 53.82 2bds n ASN 37 Cb 0.50 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.98 0.00 -0.18 2.41 2.07 0.13 -2.34 121.20 121.30 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 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2bds s ILE 38 CO 0.00 0.00 -0.12 0.00 -1.91 0.00 0.00 174.94 172.91 2bds s TYR 41 N -0.38 2.83 0.46 0.00 1.51 0.25 -2.17 117.35 119.85 2bds s TYR 41 Ca 0.25 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 55.87 2bds s TYR 41 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 2bds s TYR 41 CO 0.12 0.03 0.78 -1.25 -1.11 0.00 0.00 175.55 174.13 2bds s PRO 42 N -4.07 3.60 0.00 -1.71 0.04 -1.21 -3.48 135.00 128.17 2bds s PRO 42 Ca 0.45 0.27 0.14 0.00 0.04 0.00 0.00 61.00 61.90 2bds s PRO 42 Cb -0.05 -2.38 0.11 0.00 0.04 0.00 0.00 34.50 32.22 2bds s PRO 42 CO 0.28 -0.17 0.95 -2.39 0.04 0.00 0.00 177.00 175.71