#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 1.04 -0.20 -0.14 -0.02 -1.26 -4.93 135.00 129.49 1b0c n PRO 2 Ca 0.00 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1b0c n PRO 2 Cb 0.00 -2.27 0.26 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.64 0.83 0.18 2.55 2.03 -2.03 -2.65 116.42 117.95 1b0c h ASP 3 Ca -0.49 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1b0c h ASP 3 Cb 1.35 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1b0c h ASP 3 CO 0.52 0.60 0.00 2.19 -1.03 0.00 0.00 179.24 181.52 1b0c h PHE 4 N 0.98 0.00 0.00 4.15 -5.15 -1.99 -1.87 116.94 113.06 1b0c h PHE 4 Ca 0.27 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.04 1b0c h PHE 4 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.08 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 -1.60 1.87 -4.78 0.00 4.77 -0.70 -4.49 117.00 112.06 1b0c n LEU 6 Ca 0.02 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 55.01 1b0c n LEU 6 Cb 0.13 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1b0c n LEU 6 CO 0.11 0.34 0.75 -1.61 -1.33 0.00 0.00 177.39 175.65 1b0c s GLU 7 N -2.40 3.52 0.52 3.23 2.02 -0.69 -4.94 118.70 119.95 1b0c s GLU 7 Ca 0.22 1.50 -0.17 0.00 0.02 0.00 0.00 54.97 56.54 1b0c s GLU 7 Cb 0.19 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 32.30 1b0c s GLU 7 CO 0.52 -0.69 0.99 -2.14 0.02 0.00 0.00 175.26 173.95 1b0c s PRO 8 N -3.30 3.93 0.29 0.39 0.02 -1.26 -4.89 135.00 130.19 1b0c s PRO 8 Ca 0.70 0.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.39 1b0c s PRO 8 Cb -0.21 -2.13 -0.11 0.00 0.02 0.00 0.00 34.50 32.07 1b0c s PRO 8 CO 0.25 -0.28 1.57 -1.25 -0.33 0.00 0.00 177.00 176.95 1b0c s PRO 9 N -4.05 4.14 -0.33 5.54 0.04 -1.26 -4.96 135.00 134.13 1b0c s PRO 9 Ca 0.59 2.54 -0.02 0.00 0.04 0.00 0.00 61.00 64.16 1b0c s PRO 9 Cb -0.10 -3.03 0.07 0.00 0.04 0.00 0.00 34.50 31.47 1b0c s PRO 9 CO 0.31 -0.60 0.04 -0.47 0.04 0.00 0.00 177.00 176.32 1b0c s TYR 10 N -0.03 3.37 0.10 0.56 5.04 -1.26 -4.99 117.35 120.13 1b0c s TYR 10 Ca 0.62 -2.08 -0.16 0.00 -2.44 0.00 0.00 57.07 53.02 1b0c s TYR 10 Cb -0.47 -2.40 -0.07 0.00 0.35 0.00 0.00 41.96 39.37 1b0c s TYR 10 CO 0.48 -0.85 1.48 1.15 -1.34 0.00 0.00 175.55 176.46 1b0c h THR 11 N 6.46 1.29 0.00 4.34 2.02 -1.95 -3.43 112.91 121.65 1b0c h THR 11 Ca -0.18 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1b0c h THR 11 Cb 1.05 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1b0c h THR 11 CO 0.57 0.38 0.00 0.61 0.37 0.00 0.00 175.52 177.45 1b0c n GLY 12 N -0.09 -0.02 0.00 2.16 0.00 -1.26 -0.36 105.19 105.61 1b0c n GLY 12 Ca -0.03 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.33 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 0.13 0.06 -2.19 1.61 -0.04 -1.26 -4.67 135.00 128.63 1b0c n PRO 13 Ca 0.00 0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 1b0c n PRO 13 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1b0c n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b0c h LYS 15 N 0.49 0.00 -7.27 0.00 1.79 -1.92 -3.41 116.57 106.26 1b0c h LYS 15 Ca -0.46 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.51 1b0c h LYS 15 Cb 1.19 0.00 0.18 0.00 -1.58 0.00 0.00 32.23 32.02 1b0c h LYS 15 CO 0.61 0.03 0.21 0.00 -1.08 0.00 0.00 179.45 179.22 1b0c s ALA 16 N -3.49 1.28 -0.48 3.86 0.00 -0.19 -5.00 121.76 117.73 1b0c s ALA 16 Ca 0.03 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.34 1b0c s ALA 16 Cb 0.08 -3.33 0.24 0.00 0.00 0.00 0.00 23.12 20.10 1b0c s ALA 16 CO 0.60 -2.70 0.56 0.54 0.00 0.00 0.00 175.76 174.76 1b0c n ARG 17 N -4.16 1.21 -3.58 0.00 5.12 -1.26 -4.09 116.66 109.90 1b0c n ARG 17 Ca 0.09 -3.69 -0.37 0.00 -1.93 0.00 0.00 57.85 51.95 1b0c n ARG 17 Cb 0.53 -1.62 -0.06 0.00 -1.16 0.00 0.00 32.46 30.16 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 -1.41 5.11 -0.10 0.55 -1.09 -0.90 -4.89 121.20 118.47 1b0c s ILE 18 Ca 0.36 0.62 -0.24 0.00 -2.23 0.00 0.00 60.65 59.15 1b0c s ILE 18 Cb 0.14 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1b0c s ILE 18 CO -0.10 0.48 0.77 -0.63 -1.23 0.00 0.00 174.94 174.23 1b0c s ILE 19 N -1.19 4.98 0.19 2.92 -1.09 -1.26 -0.06 121.20 125.68 1b0c s ILE 19 Ca 0.26 1.55 0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1b0c s ILE 19 Cb -0.15 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1b0c s ILE 19 CO 0.14 0.16 -0.02 -0.13 -1.23 0.00 0.00 174.94 173.86 1b0c s ARG 20 N 1.32 1.17 0.07 2.79 1.81 -0.44 -4.92 118.95 120.75 1b0c s ARG 20 Ca 0.39 -1.56 0.05 0.00 -1.72 0.00 0.00 55.73 52.89 1b0c s ARG 20 Cb -0.18 -0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 33.83 1b0c s ARG 20 CO 0.17 -0.08 -0.06 0.71 -0.68 0.00 0.00 175.30 175.36 1b0c s TYR 21 N -3.51 2.86 0.03 -0.53 2.02 0.19 -1.11 117.35 117.29 1b0c s TYR 21 Ca 0.24 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 1b0c s TYR 21 Cb 0.05 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 1b0c s TYR 21 CO 0.05 0.42 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.82 1b0c s PHE 22 N -1.17 0.36 -0.15 2.71 -0.71 -0.35 -0.39 117.98 118.29 1b0c s PHE 22 Ca 0.21 -0.63 -0.24 0.00 -1.04 0.00 0.00 56.93 55.23 1b0c s PHE 22 Cb -0.11 -0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 41.42 1b0c s PHE 22 CO 0.13 -0.21 0.78 -0.47 -1.34 0.00 0.00 175.22 174.11 1b0c s TYR 23 N -1.93 3.45 -0.52 3.49 5.04 -1.26 -0.88 117.35 124.74 1b0c s TYR 23 Ca -0.11 1.22 -0.16 0.00 -2.44 0.00 0.00 57.07 55.58 1b0c s TYR 23 Cb -0.07 -2.94 0.11 0.00 0.35 0.00 0.00 41.96 39.41 1b0c s TYR 23 CO -0.03 -0.16 0.49 1.21 -1.34 0.00 0.00 175.55 175.73 1b0c s ASN 24 N 1.09 6.18 0.21 4.32 3.04 -0.46 -4.79 114.94 124.53 1b0c s ASN 24 Ca 0.37 -1.57 -0.09 0.00 0.04 0.00 0.00 52.86 51.62 1b0c s ASN 24 Cb -0.17 -2.21 0.25 0.00 -1.54 0.00 0.00 41.25 37.58 1b0c s ASN 24 CO 0.14 -0.82 1.81 0.00 -3.04 0.00 0.00 177.10 175.19 1b0c h ALA 25 N 8.88 0.92 -0.75 1.71 0.00 -1.84 0.16 119.26 128.33 1b0c h ALA 25 Ca -0.29 0.02 -0.01 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 18.73 1b0c h ALA 25 CO 0.99 0.07 0.43 1.57 0.00 0.00 0.00 179.25 182.30 1b0c h LYS 26 N 0.71 1.04 0.00 0.00 2.10 -1.95 -2.90 116.57 115.57 1b0c h LYS 26 Ca 0.31 -0.11 -0.03 0.00 -2.00 0.00 0.00 60.65 58.82 1b0c h LYS 26 Cb 0.19 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1b0c h LYS 26 CO -0.18 0.77 -0.50 0.00 -2.00 0.00 0.00 179.45 177.53 1b0c h ALA 27 N 1.22 0.77 0.00 0.07 0.00 -1.90 -3.48 119.26 115.94 1b0c h ALA 27 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b0c h ALA 27 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1b0c h ALA 27 CO -0.05 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1b0c n GLY 28 N 1.17 0.51 3.62 0.00 0.00 0.52 -5.03 105.19 105.98 1b0c n GLY 28 Ca 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 0.23 0.19 0.99 0.05 -1.17 -5.00 118.68 113.97 1b0c s LEU 29 Ca 0.00 -0.86 -0.27 0.00 0.05 0.00 0.00 54.13 53.05 1b0c s LEU 29 Cb 0.00 1.92 -0.08 0.00 -2.05 0.00 0.00 46.19 45.97 1b0c s LEU 29 CO 0.00 -1.16 0.83 0.00 -0.55 0.00 0.00 176.35 175.46 1b0c s GLN 31 N -1.17 1.69 0.25 0.00 -0.21 -0.05 -4.93 119.66 115.24 1b0c s GLN 31 Ca 0.37 -1.97 -0.01 0.00 0.02 0.00 0.00 55.36 53.77 1b0c s GLN 31 Cb -0.24 -0.65 -0.04 0.00 1.00 0.00 0.00 33.01 33.08 1b0c s GLN 31 CO 0.28 -0.31 0.46 0.95 -2.12 0.00 0.00 175.29 174.55 1b0c s THR 32 N -3.37 5.14 0.12 -0.19 -4.23 -1.26 -1.21 115.64 110.64 1b0c s THR 32 Ca 0.33 -0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.33 1b0c s THR 32 Cb 0.07 -3.76 0.06 0.00 1.34 0.00 0.00 72.50 70.21 1b0c s THR 32 CO 0.15 -0.28 0.55 0.72 -0.54 0.00 0.00 174.62 175.23 1b0c s PHE 33 N -2.00 -0.46 -0.27 3.99 -0.71 -0.27 -4.90 117.98 113.35 1b0c s PHE 33 Ca 0.40 0.34 -0.19 0.00 -1.04 0.00 0.00 56.93 56.43 1b0c s PHE 33 Cb -0.11 0.45 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 1b0c s PHE 33 CO 0.30 -0.76 0.58 0.08 -1.34 0.00 0.00 175.22 174.08 1b0c s VAL 34 N -3.31 5.01 -0.14 -2.49 1.01 -1.26 -1.33 120.40 117.89 1b0c s VAL 34 Ca -0.01 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 1b0c s VAL 34 Cb -0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1b0c s VAL 34 CO -0.09 0.01 0.25 -0.47 0.00 0.00 0.00 175.10 174.80 1b0c s TYR 35 N 2.44 3.52 0.21 5.22 5.04 0.91 -4.43 117.35 130.26 1b0c s TYR 35 Ca 0.24 0.60 0.21 0.00 -2.44 0.00 0.00 57.07 55.68 1b0c s TYR 35 Cb -0.15 -2.22 0.88 0.00 0.35 0.00 0.00 41.96 40.81 1b0c s TYR 35 CO 0.10 0.40 1.82 0.78 -1.34 0.00 0.00 175.55 177.31 1b0c h GLY 36 N 6.06 0.00 0.00 8.97 0.00 -0.85 -2.40 103.07 114.85 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 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 1b0c n GLY 37 N 0.02 1.59 3.22 4.60 0.00 -1.26 -1.03 105.19 112.33 1b0c n GLY 37 Ca -0.00 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 0.08 -2.54 -2.81 0.00 3.00 -1.26 -4.53 116.66 108.59 1b0c n ARG 39 Ca -0.16 0.64 -0.34 0.00 -0.01 0.00 0.00 57.85 57.98 1b0c n ARG 39 Cb 0.62 -4.99 -0.07 0.00 0.00 0.00 0.00 32.46 28.02 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 -3.48 3.08 0.62 7.54 0.00 -1.26 -4.75 121.76 123.50 1b0c s ALA 40 Ca 0.35 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1b0c s ALA 40 Cb -0.09 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.95 1b0c s ALA 40 CO 0.81 0.14 0.86 0.15 0.00 0.00 0.00 175.76 177.72 1b0c s LYS 41 N -2.90 2.17 0.37 0.00 3.01 -1.26 -5.01 119.74 116.11 1b0c s LYS 41 Ca 0.59 -1.04 0.12 0.00 -1.01 0.00 0.00 55.97 54.63 1b0c s LYS 41 Cb -0.11 -2.45 0.72 0.00 -1.01 0.00 0.00 37.83 34.97 1b0c s LYS 41 CO 0.16 -1.02 1.83 0.00 0.51 0.00 0.00 175.35 176.83 1b0c h ARG 42 N -0.14 0.05 -4.44 1.68 3.08 -1.98 -3.31 114.38 109.33 1b0c h ARG 42 Ca -0.38 -0.02 -0.72 0.00 0.07 0.00 0.00 59.98 58.93 1b0c h ARG 42 Cb 1.28 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.23 1b0c h ARG 42 CO 0.46 0.38 2.37 -1.71 -1.07 0.00 0.00 179.97 180.39 1b0c n ASN 43 N -4.12 4.64 -3.16 7.04 5.15 -1.26 -4.71 115.26 118.83 1b0c n ASN 43 Ca -0.02 -2.95 0.03 0.00 -0.60 0.00 0.00 54.58 51.05 1b0c n ASN 43 Cb 0.39 -1.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.00 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 2.81 -1.29 -0.05 1.20 3.84 -1.25 -4.64 114.94 115.55 1b0c s ASN 44 Ca 0.46 0.79 0.06 0.00 0.21 0.00 0.00 52.86 54.39 1b0c s ASN 44 Cb 0.08 2.09 -0.01 0.00 -0.55 0.00 0.00 41.25 42.86 1b0c s ASN 44 CO -0.01 -0.27 -0.25 -0.36 -2.79 0.00 0.00 177.10 173.43 1b0c s PHE 45 N 2.84 2.36 0.10 0.43 0.40 0.48 -4.94 117.98 119.63 1b0c s PHE 45 Ca 0.20 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 55.78 1b0c s PHE 45 Cb -0.15 -1.54 -0.18 0.00 0.51 0.00 0.00 43.02 41.66 1b0c s PHE 45 CO -0.21 -0.18 1.23 -0.22 0.70 0.00 0.00 175.22 176.54 1b0c h LYS 46 N 5.96 0.59 -5.49 0.44 3.64 -1.92 0.56 116.57 120.34 1b0c h LYS 46 Ca -0.34 -0.64 -0.64 0.00 -1.27 0.00 0.00 60.65 57.76 1b0c h LYS 46 Cb 1.16 0.18 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 1b0c h LYS 46 CO 0.47 1.24 -0.58 0.45 -2.27 0.00 0.00 179.45 178.77 1b0c s SER 47 N -7.21 5.52 0.25 4.20 0.15 -1.26 -4.77 113.70 110.57 1b0c s SER 47 Ca -0.08 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 1b0c s SER 47 Cb 0.08 -1.84 0.29 0.00 -1.71 0.00 0.00 66.02 62.85 1b0c s SER 47 CO 0.90 0.25 1.66 0.00 1.20 0.00 0.00 173.24 177.26 1b0c h ALA 48 N 6.12 0.97 -0.17 5.45 0.00 -1.98 -2.51 119.26 127.13 1b0c h ALA 48 Ca -0.42 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.15 1b0c h ALA 48 Cb 1.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1b0c h ALA 48 CO 0.64 0.60 0.00 1.49 0.00 0.00 0.00 179.25 181.99 1b0c h GLU 49 N 0.51 0.06 -0.65 0.00 4.81 -1.99 -1.74 114.58 115.58 1b0c h GLU 49 Ca 0.07 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1b0c h GLU 49 Cb 0.74 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 1b0c h GLU 49 CO 0.06 0.04 0.38 -0.44 -0.73 0.00 0.00 179.01 178.31 1b0c h ASP 50 N 0.06 0.59 -0.14 1.04 3.32 -1.94 -2.17 116.42 117.16 1b0c h ASP 50 Ca 0.08 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1b0c h ASP 50 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1b0c h ASP 50 CO -0.14 0.39 0.05 0.00 -1.72 0.00 0.00 179.24 177.83 1b0c h MET 52 N 0.12 0.00 0.17 0.00 2.86 -1.05 -1.38 114.93 115.65 1b0c h MET 52 Ca 0.06 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.35 1b0c h MET 52 Cb 0.03 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.70 1b0c h MET 52 CO -0.06 0.11 -1.75 -0.09 1.06 0.00 0.00 176.91 176.18 1b0c h ARG 53 N 0.00 0.37 -0.04 1.72 2.43 -1.16 -1.86 114.38 115.84 1b0c h ARG 53 Ca -0.00 -0.63 -0.04 0.00 -0.81 0.00 0.00 59.98 58.50 1b0c h ARG 53 Cb 0.57 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1b0c h ARG 53 CO 0.01 1.28 -0.12 1.15 -1.51 0.00 0.00 179.97 180.79 1b0c h THR 54 N 0.10 1.46 -0.48 0.20 2.02 -1.12 -3.33 112.91 111.77 1b0c h THR 54 Ca -0.34 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.25 1b0c h THR 54 Cb 2.09 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 70.85 1b0c h THR 54 CO 0.17 0.42 0.04 0.00 0.37 0.00 0.00 175.52 176.53