#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f62 s ARG 2 N 0.00 -0.55 0.07 0.00 1.04 -1.26 -4.20 118.95 114.05 1f62 s ARG 2 Ca 0.00 0.20 0.03 0.00 -1.04 0.00 0.00 55.73 54.92 1f62 s ARG 2 Cb 0.00 -1.65 -0.03 0.00 -2.04 0.00 0.00 34.95 31.23 1f62 s ARG 2 CO 0.00 -3.32 -0.10 0.00 -0.04 0.00 0.00 175.30 171.84 1f62 h LYS 4 N 4.02 -0.15 0.00 0.00 1.63 -1.39 -3.05 116.57 117.64 1f62 h LYS 4 Ca -0.37 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1f62 h LYS 4 Cb 1.19 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1f62 h LYS 4 CO 0.46 0.09 0.00 0.28 -3.45 0.00 0.00 179.45 176.84 1f62 n VAL 5 N -5.05 0.00 0.11 2.00 0.31 -1.26 -4.36 118.33 110.08 1f62 n VAL 5 Ca -0.08 0.79 0.03 0.00 -0.01 0.00 0.00 64.34 65.07 1f62 n VAL 5 Cb 0.17 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1f62 n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f62 n ARG 7 N -3.08 -4.63 -4.42 0.00 1.74 -1.15 -4.99 116.66 100.13 1f62 n ARG 7 Ca -0.01 0.59 -0.24 0.00 -0.77 0.00 0.00 57.85 57.42 1f62 n ARG 7 Cb 0.74 -5.08 -0.09 0.00 -1.02 0.00 0.00 32.46 27.00 1f62 n ARG 7 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1f62 s LYS 8 N -6.05 1.84 -0.20 5.56 1.02 -1.26 -4.82 119.74 115.83 1f62 s LYS 8 Ca 0.01 -1.65 -0.03 0.00 0.02 0.00 0.00 55.97 54.31 1f62 s LYS 8 Cb -0.00 -1.89 0.06 0.00 -0.52 0.00 0.00 37.83 35.49 1f62 s LYS 8 CO 0.82 0.35 0.06 -1.59 -0.92 0.00 0.00 175.35 174.07 1f62 s LYS 9 N -3.47 0.45 0.00 1.68 0.00 -1.26 -3.50 119.74 113.64 1f62 s LYS 9 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 55.97 55.92 1f62 s LYS 9 Cb -0.06 -1.98 0.00 0.00 0.00 0.00 0.00 37.83 35.80 1f62 s LYS 9 CO 0.16 -0.68 0.00 0.41 0.00 0.00 0.00 175.35 175.24 1f62 n GLY 10 N 5.12 -1.88 1.88 0.59 0.00 -1.26 -4.95 105.19 104.69 1f62 n GLY 10 Ca -0.08 0.62 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 1f62 n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f62 n GLU 11 N 0.00 1.53 -2.06 1.61 0.00 -1.26 -4.78 120.64 115.69 1f62 n GLU 11 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 57.16 56.13 1f62 n GLU 11 Cb 0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 31.44 29.77 1f62 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f62 n ASP 12 N 2.22 7.44 0.00 -1.84 8.00 -1.26 -4.66 116.55 126.45 1f62 n ASP 12 Ca 0.27 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.64 1f62 n ASP 12 Cb 0.72 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1f62 n ASP 13 N 2.20 0.00 -3.25 -2.24 2.03 -1.26 -4.83 116.55 109.20 1f62 n ASP 13 Ca 0.58 0.79 -0.14 0.00 0.52 0.00 0.00 54.79 56.55 1f62 n ASP 13 Cb 0.27 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 40.13 1f62 n ASP 13 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1f62 s LYS 14 N -2.19 0.78 -0.19 -0.67 1.02 -1.26 -5.12 119.74 112.11 1f62 s LYS 14 Ca 0.00 -0.99 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 1f62 s LYS 14 Cb 0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 1f62 s LYS 14 CO 0.00 -1.25 1.59 -0.51 -0.92 0.00 0.00 175.35 174.26 1f62 s LEU 15 N 1.20 4.00 -1.06 3.17 1.02 -1.26 -4.09 118.68 121.64 1f62 s LEU 15 Ca 0.21 1.73 -0.22 0.00 0.02 0.00 0.00 54.13 55.87 1f62 s LEU 15 Cb -0.09 -3.53 -0.00 0.00 0.02 0.00 0.00 46.19 42.59 1f62 s LEU 15 CO -0.06 -1.15 1.74 -0.51 0.02 0.00 0.00 176.35 176.39 1f62 s ILE 16 N 4.83 3.74 -0.04 -0.59 2.07 0.26 -4.89 121.20 126.59 1f62 s ILE 16 Ca 0.70 -0.88 -0.30 0.00 -1.41 0.00 0.00 60.65 58.76 1f62 s ILE 16 Cb -0.26 -4.67 -0.05 0.00 0.13 0.00 0.00 42.46 37.61 1f62 s ILE 16 CO 0.28 -1.48 1.49 -0.76 -1.91 0.00 0.00 174.94 172.56 1f62 s LEU 17 N 7.49 4.30 -0.24 8.50 1.43 -1.26 -3.17 118.68 135.74 1f62 s LEU 17 Ca 0.59 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.52 1f62 s LEU 17 Cb -0.01 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 1f62 s LEU 17 CO 0.00 -0.81 1.63 0.00 0.23 0.00 0.00 176.35 177.40 1f62 h ASP 19 N 10.95 0.48 0.80 0.00 3.58 -1.45 -0.21 116.42 130.57 1f62 h ASP 19 Ca -0.34 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.07 1f62 h ASP 19 Cb 1.15 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1f62 h ASP 19 CO 1.01 0.34 -0.45 -0.33 -2.88 0.00 0.00 179.24 176.92 1f62 h GLU 20 N 0.58 -1.12 0.00 0.28 5.08 -1.91 -3.35 114.58 114.14 1f62 h GLU 20 Ca 0.18 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1f62 h GLU 20 Cb -0.02 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1f62 h GLU 20 CO -0.06 -0.75 0.00 0.00 -1.00 0.00 0.00 179.01 177.20 1f62 n ASN 22 N -0.44 -7.66 -3.82 0.00 5.03 -0.09 -5.05 115.26 103.23 1f62 n ASN 22 Ca 0.00 0.22 -0.18 0.00 0.87 0.00 0.00 54.58 55.49 1f62 n ASN 22 Cb 0.22 -5.19 -0.16 0.00 -1.02 0.00 0.00 39.78 33.63 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1f62 s LYS 23 N -2.78 0.38 0.03 3.52 -0.14 -1.24 -4.94 119.74 114.57 1f62 s LYS 23 Ca 0.12 0.06 -0.27 0.00 -1.36 0.00 0.00 55.97 54.52 1f62 s LYS 23 Cb -0.03 -0.56 -0.05 0.00 -1.68 0.00 0.00 37.83 35.51 1f62 s LYS 23 CO 0.73 -0.14 0.87 0.00 -0.76 0.00 0.00 175.35 176.04 1f62 s ALA 24 N 1.10 3.27 -0.09 5.17 0.00 -1.26 -1.21 121.76 128.74 1f62 s ALA 24 Ca -0.09 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 1f62 s ALA 24 Cb -0.14 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1f62 s ALA 24 CO -0.02 -0.07 0.24 -0.06 0.00 0.00 0.00 175.76 175.86 1f62 s PHE 25 N 0.38 -0.26 0.56 0.00 0.40 -1.19 -0.86 117.98 117.01 1f62 s PHE 25 Ca 0.44 0.65 -0.15 0.00 -0.60 0.00 0.00 56.93 57.27 1f62 s PHE 25 Cb -0.21 0.09 -0.06 0.00 0.51 0.00 0.00 43.02 43.35 1f62 s PHE 25 CO 0.25 -0.13 1.01 -1.01 0.70 0.00 0.00 175.22 176.05 1f62 s HIS 26 N 0.15 3.37 0.21 0.36 3.76 -1.26 -0.58 115.29 121.30 1f62 s HIS 26 Ca -0.00 1.44 -0.10 0.00 -0.15 0.00 0.00 55.06 56.25 1f62 s HIS 26 Cb -0.02 -2.83 0.22 0.00 1.11 0.00 0.00 32.58 31.07 1f62 s HIS 26 CO 0.00 -0.64 1.81 -0.07 -0.85 0.00 0.00 174.74 175.00 1f62 h LEU 27 N 0.45 0.58 -0.29 0.89 3.38 -1.85 0.19 115.31 118.67 1f62 h LEU 27 Ca -0.46 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.59 1f62 h LEU 27 Cb 1.19 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1f62 h LEU 27 CO 0.60 0.38 -0.06 -0.26 0.09 0.00 0.00 178.44 179.19 1f62 h PHE 28 N 0.71 -0.14 -0.03 1.13 0.04 -1.69 -1.28 116.94 115.68 1f62 h PHE 28 Ca 0.29 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.98 1f62 h PHE 28 Cb 0.15 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1f62 h PHE 28 CO -0.07 -0.11 -0.48 0.00 -0.60 0.00 0.00 178.31 177.05 1f62 h LEU 30 N 0.07 -0.52 -7.38 0.00 7.12 -0.55 -3.46 115.31 110.59 1f62 h LEU 30 Ca 0.00 0.02 -0.17 0.00 0.13 0.00 0.00 57.88 57.86 1f62 h LEU 30 Cb 0.87 0.14 -0.28 0.00 -0.53 0.00 0.00 40.66 40.86 1f62 h LEU 30 CO 0.07 -0.36 -0.43 -0.13 -0.13 0.00 0.00 178.44 177.45 1f62 s ARG 31 N -4.32 0.27 0.47 1.25 0.52 -0.52 -4.92 118.95 111.70 1f62 s ARG 31 Ca -0.09 0.50 0.13 0.00 -0.52 0.00 0.00 55.73 55.75 1f62 s ARG 31 Cb 0.01 -0.00 1.10 0.00 0.52 0.00 0.00 34.95 36.57 1f62 s ARG 31 CO 0.27 -0.11 2.09 -1.00 0.02 0.00 0.00 175.30 176.56 1f62 h PRO 32 N 6.60 0.25 -0.39 3.54 0.13 -1.62 -0.66 132.00 139.85 1f62 h PRO 32 Ca -0.34 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1f62 h PRO 32 Cb 1.17 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1f62 h PRO 32 CO 0.35 0.16 0.26 0.00 -0.23 0.00 0.00 178.00 178.54 1f62 h ALA 33 N 1.85 1.74 -2.15 -0.56 0.00 -1.89 -3.43 119.26 114.83 1f62 h ALA 33 Ca 0.10 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.42 1f62 h ALA 33 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1f62 h ALA 33 CO -0.02 0.24 0.90 -0.51 0.00 0.00 0.00 179.25 179.85 1f62 s LEU 34 N -9.46 4.19 -0.00 0.00 1.43 -0.25 -4.83 118.68 109.76 1f62 s LEU 34 Ca -0.08 1.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 1f62 s LEU 34 Cb 0.17 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1f62 s LEU 34 CO 0.73 -0.76 0.11 -1.22 0.23 0.00 0.00 176.35 175.44 1f62 n TYR 35 N 6.55 0.00 -4.25 0.29 4.01 -1.26 -3.25 117.16 119.24 1f62 n TYR 35 Ca 0.14 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.71 1f62 n TYR 35 Cb 0.45 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.34 1f62 n TYR 35 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1f62 s GLU 36 N -1.66 1.06 0.14 -0.72 1.03 -1.26 -4.99 118.70 112.30 1f62 s GLU 36 Ca 0.00 -1.33 -0.30 0.00 0.03 0.00 0.00 54.97 53.37 1f62 s GLU 36 Cb 0.02 -0.84 -0.07 0.00 -0.80 0.00 0.00 34.13 32.45 1f62 s GLU 36 CO 0.13 0.14 1.12 0.08 -1.33 0.00 0.00 175.26 175.40 1f62 s VAL 37 N -2.55 3.96 -0.55 1.83 1.01 -1.26 -4.99 120.40 117.84 1f62 s VAL 37 Ca 0.12 1.60 -0.26 0.00 0.00 0.00 0.00 61.98 63.44 1f62 s VAL 37 Cb -0.02 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1f62 s VAL 37 CO 0.03 0.23 1.05 -2.16 0.00 0.00 0.00 175.10 174.25 1f62 s PRO 38 N 0.03 3.45 -1.54 2.72 0.04 -1.26 -4.94 135.00 133.50 1f62 s PRO 38 Ca 0.52 0.03 -0.09 0.00 0.04 0.00 0.00 61.00 61.49 1f62 s PRO 38 Cb -0.29 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 1f62 s PRO 38 CO 0.33 -1.52 2.75 -0.25 0.04 0.00 0.00 177.00 178.35 1f62 n ASP 39 N 7.82 8.12 0.05 6.66 8.00 -1.26 -3.36 116.55 142.58 1f62 n ASP 39 Ca 0.05 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.82 1f62 n ASP 39 Cb 0.48 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f62 n GLY 40 N 3.19 -1.13 2.50 0.44 0.00 -1.26 -5.02 105.19 103.91 1f62 n GLY 40 Ca 0.72 0.38 -0.40 0.00 0.00 0.00 0.00 46.02 46.72 1f62 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f62 n GLU 41 N -2.83 3.88 -1.75 1.61 -0.58 -1.21 -4.83 120.64 114.92 1f62 n GLU 41 Ca 0.00 -2.87 -0.42 0.00 -0.42 0.00 0.00 57.16 53.45 1f62 n GLU 41 Cb 0.00 -2.83 -0.00 0.00 -0.57 0.00 0.00 31.44 28.04 1f62 n GLU 41 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1f62 n TRP 42 N 3.34 3.43 -4.20 -0.32 8.01 -1.26 -4.85 117.44 121.59 1f62 n TRP 42 Ca 0.64 -2.97 -0.18 0.00 -1.31 0.00 0.00 57.50 53.68 1f62 n TRP 42 Cb 0.28 -2.51 -0.06 0.00 -2.01 0.00 0.00 31.31 27.01 1f62 n TRP 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1f62 n GLN 43 N 5.79 0.54 -4.37 -0.99 10.64 -1.26 -1.08 117.38 126.65 1f62 n GLN 43 Ca 0.53 -3.16 -0.24 0.00 -1.83 0.00 0.00 57.00 52.29 1f62 n GLN 43 Cb 0.38 2.77 -0.09 0.00 -0.86 0.00 0.00 30.24 32.44 1f62 n GLN 43 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f62 h PRO 45 N 1.96 0.00 -0.26 0.00 0.11 -1.91 -1.56 132.00 130.34 1f62 h PRO 45 Ca -0.42 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 1f62 h PRO 45 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1f62 h PRO 45 CO 0.64 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 178.12 1f62 h ALA 46 N 1.30 0.99 0.22 -0.75 0.00 -1.96 -3.35 119.26 115.71 1f62 h ALA 46 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1f62 h ALA 46 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1f62 h ALA 46 CO 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.74 1f62 s GLN 48 N -3.41 1.94 -0.16 0.00 1.03 -1.25 -5.03 119.66 112.79 1f62 s GLN 48 Ca -0.11 1.07 -0.19 0.00 0.04 0.00 0.00 55.36 56.17 1f62 s GLN 48 Cb 0.01 -1.87 -0.16 0.00 0.03 0.00 0.00 33.01 31.01 1f62 s GLN 48 CO 0.41 -1.84 0.34 -1.00 -2.54 0.00 0.00 175.29 170.66 1f62 h PRO 49 N -1.27 0.00 -2.13 9.60 0.13 -1.85 -3.47 132.00 133.01 1f62 h PRO 49 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1f62 h PRO 49 Cb 1.25 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 1f62 h PRO 49 CO 0.52 0.70 0.24 0.00 -0.23 0.00 0.00 178.00 179.23 1f62 s ALA 50 N -2.39 -1.76 -2.25 -0.56 0.00 -1.26 -5.05 121.76 108.50 1f62 s ALA 50 Ca -0.18 1.20 0.30 0.00 0.00 0.00 0.00 51.96 53.27 1f62 s ALA 50 Cb 0.01 0.09 1.49 0.00 0.00 0.00 0.00 23.12 24.71 1f62 s ALA 50 CO 0.48 -0.44 1.99 0.25 0.00 0.00 0.00 175.76 178.04