#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bth n PRO 2 N 0.00 1.61 -0.26 2.89 -0.02 -1.26 -4.84 135.00 133.12 1bth n PRO 2 Ca 0.00 0.60 0.21 0.00 -2.02 0.00 0.00 63.50 62.28 1bth n PRO 2 Cb 0.00 -2.52 0.52 0.00 -0.02 0.00 0.00 33.50 31.48 1bth n PRO 2 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1bth h ASP 3 N 1.36 0.39 0.00 2.55 1.82 -2.00 -0.03 116.42 120.52 1bth h ASP 3 Ca -0.50 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1bth h ASP 3 Cb 1.31 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1bth h ASP 3 CO 0.57 0.14 0.00 2.22 -1.61 0.00 0.00 179.24 180.55 1bth n PHE 4 N -4.52 0.00 0.30 0.28 1.16 -1.26 -1.87 117.46 111.55 1bth n PHE 4 Ca 0.21 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.90 1bth n PHE 4 Cb 0.77 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.69 1bth n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bth h LEU 6 N 0.00 0.00 -9.91 0.00 -0.00 -1.53 -3.39 115.31 100.48 1bth h LEU 6 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.37 1bth h LEU 6 Cb 0.89 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.60 1bth h LEU 6 CO 0.00 0.01 0.51 -1.83 -0.00 0.00 0.00 178.44 177.13 1bth s GLU 7 N -3.29 4.21 0.75 1.13 -1.05 -1.25 -4.90 118.70 114.30 1bth s GLU 7 Ca 0.03 1.85 -0.11 0.00 -0.15 0.00 0.00 54.97 56.59 1bth s GLU 7 Cb 0.07 -2.80 0.05 0.00 -0.44 0.00 0.00 34.13 31.01 1bth s GLU 7 CO 0.74 -0.19 1.10 -2.14 0.95 0.00 0.00 175.26 175.71 1bth s PRO 8 N -2.10 2.35 0.24 -4.83 0.02 -1.26 -4.91 135.00 124.51 1bth s PRO 8 Ca 0.54 1.22 -0.30 0.00 0.02 0.00 0.00 61.00 62.47 1bth s PRO 8 Cb -0.31 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1bth s PRO 8 CO 0.40 -1.58 1.51 -1.25 -0.33 0.00 0.00 177.00 175.76 1bth s PRO 9 N -4.74 4.22 -0.28 5.54 0.04 -1.26 -4.99 135.00 133.52 1bth s PRO 9 Ca 0.62 2.39 -0.00 0.00 0.04 0.00 0.00 61.00 64.05 1bth s PRO 9 Cb -0.18 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.31 1bth s PRO 9 CO 0.53 -0.52 -0.04 -0.47 0.04 0.00 0.00 177.00 176.53 1bth s TYR 10 N 0.30 3.24 0.07 0.56 5.04 -1.26 -4.99 117.35 120.30 1bth s TYR 10 Ca 0.63 -1.97 -0.18 0.00 -2.44 0.00 0.00 57.07 53.11 1bth s TYR 10 Cb -0.44 -2.04 -0.11 0.00 0.35 0.00 0.00 41.96 39.72 1bth s TYR 10 CO 0.41 -0.82 1.40 1.15 -1.34 0.00 0.00 175.55 176.35 1bth h THR 11 N 6.52 1.32 0.00 4.34 2.02 -1.94 -3.43 112.91 121.74 1bth h THR 11 Ca -0.22 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1bth h THR 11 Cb 1.06 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1bth h THR 11 CO 0.52 0.40 0.00 0.61 0.37 0.00 0.00 175.52 177.41 1bth n GLY 12 N 0.11 -0.10 0.10 2.16 0.00 -1.26 0.22 105.19 106.41 1bth n GLY 12 Ca -0.05 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 1bth n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bth h PRO 13 N 0.00 0.00 -7.09 1.61 0.13 -1.94 -3.44 132.00 121.26 1bth h PRO 13 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1bth h PRO 13 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 1bth h PRO 13 CO 0.00 0.78 0.47 0.00 -0.23 0.00 0.00 178.00 179.02 1bth n LYS 15 N -1.52 3.94 -2.12 0.00 4.76 -1.20 -4.38 118.16 117.62 1bth n LYS 15 Ca 0.13 -3.11 -0.28 0.00 -2.87 0.00 0.00 58.31 52.17 1bth n LYS 15 Cb 0.50 -2.23 0.04 0.00 -1.84 0.00 0.00 35.03 31.49 1bth n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bth s ALA 16 N -2.97 3.07 -0.63 7.82 0.00 -0.31 -5.03 121.76 123.72 1bth s ALA 16 Ca 0.55 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1bth s ALA 16 Cb 0.44 -2.82 0.16 0.00 0.00 0.00 0.00 23.12 20.89 1bth s ALA 16 CO 0.14 -1.01 0.42 0.50 0.00 0.00 0.00 175.76 175.81 1bth s ARG 17 N -5.20 2.42 -0.47 0.00 3.52 -1.26 -4.24 118.95 113.71 1bth s ARG 17 Ca 0.56 -2.75 -0.09 0.00 -0.13 0.00 0.00 55.73 53.32 1bth s ARG 17 Cb -0.11 -3.57 0.12 0.00 -1.56 0.00 0.00 34.95 29.83 1bth s ARG 17 CO 0.49 -1.17 0.35 0.42 -0.81 0.00 0.00 175.30 174.57 1bth s ILE 18 N -0.46 4.23 -0.04 4.11 1.01 -0.19 -4.94 121.20 124.91 1bth s ILE 18 Ca 0.19 -1.77 -0.30 0.00 0.00 0.00 0.00 60.65 58.77 1bth s ILE 18 Cb -0.19 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 1bth s ILE 18 CO -0.05 -0.77 1.85 -0.63 0.00 0.00 0.00 174.94 175.34 1bth s ILE 19 N 1.37 3.28 0.31 2.92 -1.09 -1.26 -1.00 121.20 125.72 1bth s ILE 19 Ca 0.06 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1bth s ILE 19 Cb -0.26 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1bth s ILE 19 CO -0.01 -0.05 0.14 -0.13 -1.23 0.00 0.00 174.94 173.66 1bth s ARG 20 N 4.51 1.60 -0.07 2.79 0.52 -0.36 -4.95 118.95 122.99 1bth s ARG 20 Ca 0.83 -1.91 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 1bth s ARG 20 Cb -0.37 -0.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.82 1bth s ARG 20 CO 0.36 -0.40 -0.10 0.71 0.02 0.00 0.00 175.30 175.88 1bth s TYR 21 N -3.56 2.84 0.13 -0.53 2.02 -0.26 0.35 117.35 118.35 1bth s TYR 21 Ca 0.35 -0.12 0.06 0.00 -0.37 0.00 0.00 57.07 56.99 1bth s TYR 21 Cb 0.06 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1bth s TYR 21 CO 0.16 0.21 -0.15 -0.59 -1.57 0.00 0.00 175.55 173.62 1bth s PHE 22 N -0.61 1.46 -0.33 2.71 -0.71 0.15 0.22 117.98 120.88 1bth s PHE 22 Ca 0.09 -0.55 -0.23 0.00 -1.04 0.00 0.00 56.93 55.20 1bth s PHE 22 Cb -0.11 -0.76 0.00 0.00 -1.21 0.00 0.00 43.02 40.94 1bth s PHE 22 CO 0.02 0.17 0.79 -0.47 -1.34 0.00 0.00 175.22 174.39 1bth s TYR 23 N -2.19 3.17 -0.77 3.49 5.04 -1.26 -0.74 117.35 124.10 1bth s TYR 23 Ca 0.10 0.73 -0.20 0.00 -2.44 0.00 0.00 57.07 55.27 1bth s TYR 23 Cb -0.05 -3.29 0.10 0.00 0.35 0.00 0.00 41.96 39.08 1bth s TYR 23 CO 0.03 -0.62 0.98 1.21 -1.34 0.00 0.00 175.55 175.82 1bth s ASN 24 N 1.69 6.38 0.29 4.32 3.84 0.45 -4.77 114.94 127.14 1bth s ASN 24 Ca 0.32 -1.55 -0.03 0.00 0.21 0.00 0.00 52.86 51.82 1bth s ASN 24 Cb -0.14 -2.39 0.41 0.00 -0.55 0.00 0.00 41.25 38.58 1bth s ASN 24 CO 0.14 -1.21 1.94 0.00 -2.79 0.00 0.00 177.10 175.18 1bth h ALA 25 N 9.16 1.36 -0.25 1.71 0.00 -1.81 0.84 119.26 130.27 1bth h ALA 25 Ca -0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1bth h ALA 25 Cb 1.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1bth h ALA 25 CO 1.13 0.57 0.04 -0.22 0.00 0.00 0.00 179.25 180.76 1bth h LYS 26 N 1.12 0.35 0.00 0.00 3.64 -1.94 -2.45 116.57 117.29 1bth h LYS 26 Ca 0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1bth h LYS 26 Cb -0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1bth h LYS 26 CO -0.06 0.35 -1.94 0.00 -2.27 0.00 0.00 179.45 175.53 1bth n ALA 27 N -2.49 2.90 -1.01 5.00 0.00 -1.04 -4.99 120.51 118.88 1bth n ALA 27 Ca 0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 53.44 52.92 1bth n ALA 27 Cb 0.17 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 1bth n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bth n GLY 28 N 1.27 0.47 3.29 0.00 0.00 0.29 -5.02 105.19 105.48 1bth n GLY 28 Ca -0.04 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1bth n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bth s LEU 29 N -0.08 2.34 0.01 0.99 2.34 -0.88 -4.80 118.68 118.61 1bth s LEU 29 Ca 0.00 -1.12 -0.21 0.00 0.06 0.00 0.00 54.13 52.86 1bth s LEU 29 Cb 0.00 -0.30 -0.05 0.00 -0.56 0.00 0.00 46.19 45.28 1bth s LEU 29 CO 0.00 -0.43 0.60 0.00 -1.06 0.00 0.00 176.35 175.46 1bth s GLN 31 N -0.28 1.36 0.21 0.00 -0.21 0.08 -4.92 119.66 115.90 1bth s GLN 31 Ca 0.31 -1.69 -0.09 0.00 0.02 0.00 0.00 55.36 53.92 1bth s GLN 31 Cb -0.18 -0.68 -0.07 0.00 1.00 0.00 0.00 33.01 33.07 1bth s GLN 31 CO 0.18 -0.08 0.52 0.95 -2.12 0.00 0.00 175.29 174.74 1bth s THR 32 N -3.37 4.97 0.15 -0.19 -4.23 -1.25 0.31 115.64 112.03 1bth s THR 32 Ca 0.28 0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 61.13 1bth s THR 32 Cb 0.05 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1bth s THR 32 CO 0.09 -0.04 0.23 0.72 -0.54 0.00 0.00 174.62 175.09 1bth s PHE 33 N -1.77 0.44 -0.32 3.99 -0.71 0.16 -4.90 117.98 114.86 1bth s PHE 33 Ca 0.46 -0.82 -0.17 0.00 -1.04 0.00 0.00 56.93 55.36 1bth s PHE 33 Cb -0.11 -0.13 -0.01 0.00 -1.21 0.00 0.00 43.02 41.56 1bth s PHE 33 CO 0.22 -0.66 0.48 0.08 -1.34 0.00 0.00 175.22 174.00 1bth s VAL 34 N -3.97 5.06 -0.09 -2.49 1.01 -1.26 -1.22 120.40 117.44 1bth s VAL 34 Ca 0.17 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 1bth s VAL 34 Cb 0.04 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1bth s VAL 34 CO -0.01 -0.10 0.17 -0.47 0.00 0.00 0.00 175.10 174.68 1bth s TYR 35 N 2.31 3.60 -0.87 5.22 5.04 -0.17 -4.24 117.35 128.23 1bth s TYR 35 Ca 0.18 0.53 0.27 0.00 -2.44 0.00 0.00 57.07 55.62 1bth s TYR 35 Cb -0.16 -1.94 0.99 0.00 0.35 0.00 0.00 41.96 41.20 1bth s TYR 35 CO 0.12 0.71 1.82 0.41 -1.34 0.00 0.00 175.55 177.28 1bth n GLY 36 N 1.76 -1.58 0.00 8.97 0.00 0.13 -1.03 105.19 113.45 1bth n GLY 36 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1bth n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bth n GLY 37 N 1.41 2.22 3.12 -0.02 0.00 -1.26 -1.16 105.19 109.50 1bth n GLY 37 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1bth n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bth n ARG 39 N 0.70 -5.57 -2.12 0.00 1.74 -1.26 -4.44 116.66 105.71 1bth n ARG 39 Ca -0.19 0.66 -0.41 0.00 -0.77 0.00 0.00 57.85 57.14 1bth n ARG 39 Cb 0.59 -5.14 -0.03 0.00 -1.02 0.00 0.00 32.46 26.86 1bth n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bth s ALA 40 N -3.27 3.56 0.38 7.54 0.00 -1.26 -4.80 121.76 123.92 1bth s ALA 40 Ca 0.16 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1bth s ALA 40 Cb -0.07 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1bth s ALA 40 CO 0.57 -0.63 0.59 0.15 0.00 0.00 0.00 175.76 176.45 1bth s LYS 41 N -0.41 3.37 0.47 0.00 1.02 -1.26 -5.01 119.74 117.91 1bth s LYS 41 Ca 0.57 -0.36 0.16 0.00 0.02 0.00 0.00 55.97 56.36 1bth s LYS 41 Cb -0.39 -2.62 1.13 0.00 -0.52 0.00 0.00 37.83 35.43 1bth s LYS 41 CO 0.42 0.01 2.02 0.00 -0.92 0.00 0.00 175.35 176.88 1bth h ARG 42 N 0.63 0.26 -4.22 1.68 2.47 -1.95 -3.30 114.38 109.95 1bth h ARG 42 Ca -0.48 -0.02 -0.69 0.00 -1.26 0.00 0.00 59.98 57.53 1bth h ARG 42 Cb 1.23 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 1bth h ARG 42 CO 0.60 0.17 2.85 -1.71 0.56 0.00 0.00 179.97 182.44 1bth n ASN 43 N -4.46 3.52 -3.29 7.04 2.85 -1.25 -4.61 115.26 115.06 1bth n ASN 43 Ca 0.07 -2.80 -0.08 0.00 -0.11 0.00 0.00 54.58 51.66 1bth n ASN 43 Cb 0.34 -1.51 -0.05 0.00 1.24 0.00 0.00 39.78 39.80 1bth n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1bth s ASN 44 N 3.78 0.11 0.06 1.20 3.84 -1.25 -4.54 114.94 118.13 1bth s ASN 44 Ca 0.50 -0.59 0.06 0.00 0.21 0.00 0.00 52.86 53.05 1bth s ASN 44 Cb 0.14 1.20 -0.04 0.00 -0.55 0.00 0.00 41.25 42.00 1bth s ASN 44 CO -0.02 -0.31 -0.10 -0.36 -2.79 0.00 0.00 177.10 173.52 1bth s PHE 45 N 2.30 2.77 0.18 0.43 0.08 0.13 -4.93 117.98 118.94 1bth s PHE 45 Ca 0.12 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.90 1bth s PHE 45 Cb -0.12 -1.50 0.09 0.00 -0.57 0.00 0.00 43.02 40.92 1bth s PHE 45 CO -0.23 0.38 1.85 -0.22 -0.10 0.00 0.00 175.22 176.90 1bth h LYS 46 N 4.09 0.77 -4.37 0.44 3.64 -1.96 -0.66 116.57 118.53 1bth h LYS 46 Ca -0.48 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.67 1bth h LYS 46 Cb 1.16 -0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 32.67 1bth h LYS 46 CO 0.52 0.51 -0.58 -1.54 -2.27 0.00 0.00 179.45 176.09 1bth s SER 47 N -5.73 0.23 0.21 4.20 1.04 -1.26 -4.71 113.70 107.68 1bth s SER 47 Ca -0.13 -1.20 -0.10 0.00 0.48 0.00 0.00 55.95 55.00 1bth s SER 47 Cb 0.13 0.34 0.16 0.00 0.10 0.00 0.00 66.02 66.75 1bth s SER 47 CO 0.75 -0.79 1.87 0.00 0.98 0.00 0.00 173.24 176.06 1bth h ALA 48 N 2.75 0.98 0.04 5.32 0.00 -1.96 -0.55 119.26 125.83 1bth h ALA 48 Ca -0.35 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1bth h ALA 48 Cb 1.22 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1bth h ALA 48 CO 0.56 0.41 -0.42 0.93 0.00 0.00 0.00 179.25 180.72 1bth h GLU 49 N 1.05 -0.58 -0.89 0.00 3.07 -1.98 0.43 114.58 115.68 1bth h GLU 49 Ca 0.28 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.22 1bth h GLU 49 Cb -0.09 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 1bth h GLU 49 CO -0.06 -0.39 0.58 -0.44 -1.40 0.00 0.00 179.01 177.31 1bth h ASP 50 N -0.60 0.96 -0.25 1.42 3.32 -1.93 0.85 116.42 120.19 1bth h ASP 50 Ca 0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1bth h ASP 50 Cb 0.66 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1bth h ASP 50 CO -0.29 0.65 0.12 0.00 -1.72 0.00 0.00 179.24 178.00 1bth h MET 52 N 0.27 0.73 -0.71 0.00 2.86 0.56 0.23 114.93 118.86 1bth h MET 52 Ca 0.09 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 1bth h MET 52 Cb 0.11 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1bth h MET 52 CO -0.01 1.10 0.42 -0.09 1.06 0.00 0.00 176.91 179.39 1bth h ARG 53 N 0.56 0.98 0.19 1.72 2.43 -0.82 0.49 114.38 119.93 1bth h ARG 53 Ca 0.01 -0.10 -0.32 0.00 -0.81 0.00 0.00 59.98 58.76 1bth h ARG 53 Cb 1.15 -0.20 0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1bth h ARG 53 CO 0.12 0.70 -1.50 1.15 -1.51 0.00 0.00 179.97 178.93 1bth h THR 54 N 0.98 1.23 -0.19 0.20 2.02 -1.40 -3.40 112.91 112.36 1bth h THR 54 Ca 0.25 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1bth h THR 54 Cb -0.01 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1bth h THR 54 CO -0.05 0.84 0.00 0.00 0.37 0.00 0.00 175.52 176.68 1bth n GLY 56 N 0.03 -0.26 0.00 0.00 0.00 0.17 -4.07 105.19 101.06 1bth n GLY 56 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1bth n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bth n GLY 57 N 6.20 0.41 0.00 -0.02 0.00 -1.26 -4.48 105.19 106.04 1bth n GLY 57 Ca 0.55 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1bth n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32