#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0c n PRO 2 N 0.00 0.87 -0.21 -0.14 -0.02 -1.26 -4.93 135.00 129.30 1b0c n PRO 2 Ca 0.00 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.89 1b0c n PRO 2 Cb 0.00 -2.36 0.34 0.00 -0.02 0.00 0.00 33.50 31.46 1b0c n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1b0c h ASP 3 N 0.26 0.70 0.81 2.55 2.03 -2.03 -2.44 116.42 118.30 1b0c h ASP 3 Ca -0.49 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1b0c h ASP 3 Cb 1.34 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1b0c h ASP 3 CO 0.51 0.45 0.00 2.19 -1.03 0.00 0.00 179.24 181.35 1b0c h PHE 4 N 0.79 0.00 0.00 4.15 -5.15 -1.98 -2.85 116.94 111.90 1b0c h PHE 4 Ca 0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.10 1b0c h PHE 4 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.45 1b0c h PHE 4 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1b0c n LEU 6 N -1.73 1.68 -4.78 0.00 4.77 -1.08 -4.50 117.00 111.37 1b0c n LEU 6 Ca 0.02 -0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 55.09 1b0c n LEU 6 Cb 0.15 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1b0c n LEU 6 CO 0.13 0.31 0.74 -1.61 -1.33 0.00 0.00 177.39 175.63 1b0c s GLU 7 N -2.46 3.15 0.46 3.23 2.02 -0.85 -4.94 118.70 119.31 1b0c s GLU 7 Ca 0.21 1.40 -0.14 0.00 0.02 0.00 0.00 54.97 56.46 1b0c s GLU 7 Cb 0.19 -2.00 -0.07 0.00 0.10 0.00 0.00 34.13 32.35 1b0c s GLU 7 CO 0.54 -0.97 0.89 -2.14 0.02 0.00 0.00 175.26 173.60 1b0c s PRO 8 N -3.81 3.89 0.29 0.39 0.02 -1.26 -4.89 135.00 129.62 1b0c s PRO 8 Ca 0.68 0.75 -0.30 0.00 0.02 0.00 0.00 61.00 62.15 1b0c s PRO 8 Cb -0.20 -2.25 -0.11 0.00 0.02 0.00 0.00 34.50 31.96 1b0c s PRO 8 CO 0.35 -0.16 1.55 -1.25 -0.33 0.00 0.00 177.00 177.16 1b0c s PRO 9 N -3.92 4.16 -0.22 5.54 0.04 -1.26 -4.97 135.00 134.36 1b0c s PRO 9 Ca 0.56 2.51 -0.01 0.00 0.04 0.00 0.00 61.00 64.09 1b0c s PRO 9 Cb -0.10 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.41 1b0c s PRO 9 CO 0.30 -0.57 -0.10 -0.47 0.04 0.00 0.00 177.00 176.21 1b0c s TYR 10 N -0.10 2.94 0.04 0.56 5.04 -1.26 -5.00 117.35 119.57 1b0c s TYR 10 Ca 0.61 -1.38 -0.16 0.00 -2.44 0.00 0.00 57.07 53.70 1b0c s TYR 10 Cb -0.46 -2.03 -0.29 0.00 0.35 0.00 0.00 41.96 39.53 1b0c s TYR 10 CO 0.48 -0.69 1.09 1.15 -1.34 0.00 0.00 175.55 176.23 1b0c h THR 11 N 5.94 1.31 0.00 4.34 2.02 -1.95 -3.44 112.91 121.13 1b0c h THR 11 Ca -0.40 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.37 1b0c h THR 11 Cb 1.13 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1b0c h THR 11 CO 0.60 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.83 1b0c n GLY 12 N 1.36 -0.48 0.00 2.16 0.00 -1.26 -0.17 105.19 106.80 1b0c n GLY 12 Ca -0.13 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.29 1b0c n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b0c n PRO 13 N -0.45 0.07 -2.33 1.61 -0.04 -1.26 -4.67 135.00 127.94 1b0c n PRO 13 Ca 0.00 0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 1b0c n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1b0c n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b0c n LYS 15 N -1.70 1.12 -1.32 0.00 4.76 -1.24 -4.48 118.16 115.30 1b0c n LYS 15 Ca 0.07 -0.37 -0.30 0.00 -2.87 0.00 0.00 58.31 54.83 1b0c n LYS 15 Cb 0.54 -1.49 0.11 0.00 -1.84 0.00 0.00 35.03 32.34 1b0c n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b0c s ALA 16 N -2.14 1.98 -0.54 7.82 0.00 0.16 -5.02 121.76 124.01 1b0c s ALA 16 Ca 0.39 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1b0c s ALA 16 Cb 0.21 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 20.33 1b0c s ALA 16 CO 0.39 -1.97 0.48 0.54 0.00 0.00 0.00 175.76 175.19 1b0c n ARG 17 N -3.63 1.14 -4.10 0.00 5.12 -1.26 -4.10 116.66 109.84 1b0c n ARG 17 Ca 0.08 -3.83 -0.36 0.00 -1.93 0.00 0.00 57.85 51.80 1b0c n ARG 17 Cb 0.55 -1.89 -0.08 0.00 -1.16 0.00 0.00 32.46 29.88 1b0c n ARG 17 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1b0c s ILE 18 N -1.00 4.96 -0.11 0.55 -1.09 -0.89 -4.93 121.20 118.71 1b0c s ILE 18 Ca 0.32 0.00 -0.26 0.00 -2.23 0.00 0.00 60.65 58.48 1b0c s ILE 18 Cb 0.05 -3.14 -0.02 0.00 -1.58 0.00 0.00 42.46 37.77 1b0c s ILE 18 CO -0.15 0.61 0.83 -0.63 -1.23 0.00 0.00 174.94 174.36 1b0c s ILE 19 N -0.92 4.92 0.21 2.92 -1.09 -1.26 0.04 121.20 126.02 1b0c s ILE 19 Ca 0.14 1.67 0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1b0c s ILE 19 Cb -0.12 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1b0c s ILE 19 CO 0.03 0.11 -0.02 -0.13 -1.23 0.00 0.00 174.94 173.71 1b0c s ARG 20 N 1.56 1.26 0.04 2.79 1.81 -0.49 -4.92 118.95 121.00 1b0c s ARG 20 Ca 0.41 -1.62 0.05 0.00 -1.72 0.00 0.00 55.73 52.85 1b0c s ARG 20 Cb -0.18 -0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 33.73 1b0c s ARG 20 CO 0.17 -0.08 -0.09 0.71 -0.68 0.00 0.00 175.30 175.32 1b0c s TYR 21 N -3.45 2.79 0.05 -0.53 2.02 0.05 -1.16 117.35 117.12 1b0c s TYR 21 Ca 0.26 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1b0c s TYR 21 Cb 0.05 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1b0c s TYR 21 CO 0.07 0.37 -0.05 -0.59 -1.57 0.00 0.00 175.55 173.78 1b0c s PHE 22 N -1.06 0.55 -0.18 2.71 -0.71 -0.14 -0.64 117.98 118.51 1b0c s PHE 22 Ca 0.18 -0.73 -0.23 0.00 -1.04 0.00 0.00 56.93 55.12 1b0c s PHE 22 Cb -0.11 -0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.32 1b0c s PHE 22 CO 0.09 -0.20 0.72 -0.47 -1.34 0.00 0.00 175.22 174.02 1b0c s TYR 23 N -2.46 3.40 -0.54 3.49 5.04 -1.26 -0.83 117.35 124.19 1b0c s TYR 23 Ca -0.04 1.08 -0.17 0.00 -2.44 0.00 0.00 57.07 55.50 1b0c s TYR 23 Cb -0.03 -2.90 0.10 0.00 0.35 0.00 0.00 41.96 39.49 1b0c s TYR 23 CO -0.04 -0.20 0.56 1.21 -1.34 0.00 0.00 175.55 175.74 1b0c s ASN 24 N 1.18 6.18 0.22 4.32 3.04 -0.53 -4.77 114.94 124.57 1b0c s ASN 24 Ca 0.33 -1.50 -0.08 0.00 0.04 0.00 0.00 52.86 51.65 1b0c s ASN 24 Cb -0.16 -2.24 0.28 0.00 -1.54 0.00 0.00 41.25 37.59 1b0c s ASN 24 CO 0.11 -0.90 1.81 0.00 -3.04 0.00 0.00 177.10 175.08 1b0c h ALA 25 N 8.97 0.98 -0.81 1.71 0.00 -1.85 0.11 119.26 128.38 1b0c h ALA 25 Ca -0.29 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1b0c h ALA 25 Cb 1.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1b0c h ALA 25 CO 1.02 0.07 0.42 1.57 0.00 0.00 0.00 179.25 182.34 1b0c h LYS 26 N 0.73 1.14 0.00 0.00 2.10 -1.95 -2.96 116.57 115.63 1b0c h LYS 26 Ca 0.33 -0.15 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 1b0c h LYS 26 Cb 0.23 -0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1b0c h LYS 26 CO -0.20 0.86 -0.56 0.00 -2.00 0.00 0.00 179.45 177.54 1b0c h ALA 27 N 1.22 0.73 0.00 0.07 0.00 -1.90 -3.48 119.26 115.91 1b0c h ALA 27 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1b0c h ALA 27 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1b0c h ALA 27 CO -0.04 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1b0c n GLY 28 N 1.16 0.51 3.60 0.00 0.00 0.37 -5.03 105.19 105.79 1b0c n GLY 28 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1b0c n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1b0c s LEU 29 N 0.00 0.28 0.22 0.99 0.05 -1.17 -4.99 118.68 114.05 1b0c s LEU 29 Ca 0.00 -0.88 -0.26 0.00 0.05 0.00 0.00 54.13 53.04 1b0c s LEU 29 Cb 0.00 1.85 -0.09 0.00 -2.05 0.00 0.00 46.19 45.90 1b0c s LEU 29 CO 0.00 -1.15 0.84 0.00 -0.55 0.00 0.00 176.35 175.50 1b0c s GLN 31 N -1.39 1.63 0.26 0.00 -0.21 -0.01 -4.92 119.66 115.01 1b0c s GLN 31 Ca 0.40 -1.92 -0.02 0.00 0.02 0.00 0.00 55.36 53.84 1b0c s GLN 31 Cb -0.22 -0.57 -0.05 0.00 1.00 0.00 0.00 33.01 33.17 1b0c s GLN 31 CO 0.27 -0.30 0.49 0.95 -2.12 0.00 0.00 175.29 174.58 1b0c s THR 32 N -3.45 5.11 0.12 -0.19 -4.23 -1.26 -0.96 115.64 110.78 1b0c s THR 32 Ca 0.34 -0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.45 1b0c s THR 32 Cb 0.07 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 70.22 1b0c s THR 32 CO 0.15 -0.29 0.54 0.72 -0.54 0.00 0.00 174.62 175.20 1b0c s PHE 33 N -2.03 -0.44 -0.31 3.99 -0.71 -0.31 -4.90 117.98 113.28 1b0c s PHE 33 Ca 0.41 0.30 -0.20 0.00 -1.04 0.00 0.00 56.93 56.40 1b0c s PHE 33 Cb -0.11 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 1b0c s PHE 33 CO 0.30 -0.76 0.61 0.08 -1.34 0.00 0.00 175.22 174.11 1b0c s VAL 34 N -3.35 4.96 -0.11 -2.49 1.01 -1.26 -1.40 120.40 117.76 1b0c s VAL 34 Ca -0.00 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 1b0c s VAL 34 Cb -0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1b0c s VAL 34 CO -0.09 -0.13 0.36 -0.47 0.00 0.00 0.00 175.10 174.77 1b0c s TYR 35 N 2.56 3.55 0.28 5.22 5.04 0.11 -4.45 117.35 129.66 1b0c s TYR 35 Ca 0.24 0.77 0.17 0.00 -2.44 0.00 0.00 57.07 55.81 1b0c s TYR 35 Cb -0.15 -2.36 0.75 0.00 0.35 0.00 0.00 41.96 40.56 1b0c s TYR 35 CO 0.12 0.36 1.79 0.78 -1.34 0.00 0.00 175.55 177.25 1b0c h GLY 36 N 6.07 0.00 0.00 8.97 0.00 -0.71 -2.35 103.07 115.04 1b0c h GLY 36 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1b0c h GLY 36 CO 0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1b0c n GLY 37 N -0.09 1.75 3.21 4.60 0.00 -1.26 -0.67 105.19 112.73 1b0c n GLY 37 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1b0c n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0c n ARG 39 N 0.05 -5.41 -2.21 0.00 3.00 -1.26 -4.53 116.66 106.29 1b0c n ARG 39 Ca -0.16 0.74 -0.33 0.00 -0.01 0.00 0.00 57.85 58.09 1b0c n ARG 39 Cb 0.62 -5.52 -0.01 0.00 0.00 0.00 0.00 32.46 27.55 1b0c n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b0c s ALA 40 N -3.50 2.81 0.52 7.54 0.00 -1.26 -4.80 121.76 123.07 1b0c s ALA 40 Ca 0.05 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1b0c s ALA 40 Cb -0.01 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1b0c s ALA 40 CO 0.77 -0.62 0.72 0.15 0.00 0.00 0.00 175.76 176.78 1b0c s LYS 41 N -3.85 2.52 0.46 0.00 -0.14 -1.26 -5.02 119.74 112.44 1b0c s LYS 41 Ca 0.64 -1.13 0.21 0.00 -1.36 0.00 0.00 55.97 54.32 1b0c s LYS 41 Cb -0.15 -2.60 1.11 0.00 -1.68 0.00 0.00 37.83 34.50 1b0c s LYS 41 CO 0.32 -0.65 1.96 0.00 -0.76 0.00 0.00 175.35 176.22 1b0c h ARG 42 N 0.24 0.00 -3.94 1.68 3.08 -1.98 -3.30 114.38 110.16 1b0c h ARG 42 Ca -0.39 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 58.92 1b0c h ARG 42 Cb 1.29 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.19 1b0c h ARG 42 CO 0.46 0.22 1.99 -1.71 -1.07 0.00 0.00 179.97 179.85 1b0c n ASN 43 N -3.85 5.00 -3.21 7.04 5.15 -1.26 -4.75 115.26 119.38 1b0c n ASN 43 Ca -0.02 -3.05 0.03 0.00 -0.60 0.00 0.00 54.58 50.95 1b0c n ASN 43 Cb 0.31 -1.53 -0.01 0.00 -0.53 0.00 0.00 39.78 38.02 1b0c n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1b0c s ASN 44 N 1.68 -1.35 -0.04 1.20 3.84 -1.25 -4.66 114.94 114.36 1b0c s ASN 44 Ca 0.42 0.96 0.06 0.00 0.21 0.00 0.00 52.86 54.51 1b0c s ASN 44 Cb 0.07 2.18 -0.01 0.00 -0.55 0.00 0.00 41.25 42.94 1b0c s ASN 44 CO -0.00 -0.26 -0.22 -0.36 -2.79 0.00 0.00 177.10 173.48 1b0c s PHE 45 N 2.86 2.07 0.08 0.43 0.40 0.19 -4.94 117.98 119.07 1b0c s PHE 45 Ca 0.18 -0.52 -0.10 0.00 -0.60 0.00 0.00 56.93 55.88 1b0c s PHE 45 Cb -0.15 -1.35 -0.22 0.00 0.51 0.00 0.00 43.02 41.81 1b0c s PHE 45 CO -0.21 -0.13 1.18 -0.22 0.70 0.00 0.00 175.22 176.54 1b0c h LYS 46 N 5.92 0.52 -5.49 0.44 3.64 -1.92 0.19 116.57 119.87 1b0c h LYS 46 Ca -0.35 -0.65 -0.64 0.00 -1.27 0.00 0.00 60.65 57.73 1b0c h LYS 46 Cb 1.16 0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 33.03 1b0c h LYS 46 CO 0.47 1.27 -0.58 0.45 -2.27 0.00 0.00 179.45 178.79 1b0c s SER 47 N -7.27 5.51 0.22 4.20 0.15 -1.26 -4.77 113.70 110.49 1b0c s SER 47 Ca -0.08 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 1b0c s SER 47 Cb 0.07 -1.83 0.22 0.00 -1.71 0.00 0.00 66.02 62.76 1b0c s SER 47 CO 0.90 0.25 1.65 0.00 1.20 0.00 0.00 173.24 177.25 1b0c h ALA 48 N 6.12 0.92 -0.25 5.45 0.00 -1.98 -2.57 119.26 126.95 1b0c h ALA 48 Ca -0.42 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.18 1b0c h ALA 48 Cb 1.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1b0c h ALA 48 CO 0.64 0.62 0.00 1.49 0.00 0.00 0.00 179.25 182.00 1b0c h GLU 49 N 0.66 0.08 -0.72 0.00 4.81 -1.99 -2.08 114.58 115.34 1b0c h GLU 49 Ca 0.10 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1b0c h GLU 49 Cb 0.70 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 1b0c h GLU 49 CO 0.05 0.05 0.44 -0.44 -0.73 0.00 0.00 179.01 178.38 1b0c h ASP 50 N 0.08 0.71 -0.02 1.04 3.32 -1.94 -2.17 116.42 117.43 1b0c h ASP 50 Ca 0.12 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1b0c h ASP 50 Cb 0.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1b0c h ASP 50 CO -0.20 0.48 -0.05 0.00 -1.72 0.00 0.00 179.24 177.75 1b0c h MET 52 N -0.08 0.54 -0.14 0.00 2.86 -1.19 -1.18 114.93 115.74 1b0c h MET 52 Ca 0.03 -0.16 -0.22 0.00 -2.06 0.00 0.00 59.70 57.28 1b0c h MET 52 Cb 0.12 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1b0c h MET 52 CO -0.07 0.65 -0.80 -0.09 1.06 0.00 0.00 176.91 177.67 1b0c h ARG 53 N 0.50 0.77 -0.04 1.72 2.43 -1.23 0.19 114.38 118.71 1b0c h ARG 53 Ca 0.09 -0.64 -0.07 0.00 -0.81 0.00 0.00 59.98 58.56 1b0c h ARG 53 Cb 0.51 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1b0c h ARG 53 CO 0.03 1.24 -0.23 1.15 -1.51 0.00 0.00 179.97 180.65 1b0c h THR 54 N 0.52 1.47 -0.45 0.20 2.02 -1.12 -3.33 112.91 112.22 1b0c h THR 54 Ca -0.06 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 1b0c h THR 54 Cb 1.42 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 1b0c h THR 54 CO 0.16 0.48 0.02 0.00 0.37 0.00 0.00 175.52 176.55