#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 1.68 0.06 0.00 0.52 -1.26 -3.91 118.95 116.04 1f62 s ARG 2 Ca 0.00 -1.84 0.04 0.00 -0.52 0.00 0.00 55.73 53.41 1f62 s ARG 2 Cb 0.00 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.80 1f62 s ARG 2 CO 0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 175.30 174.57 1f62 h LYS 4 N 4.44 -0.01 0.33 0.00 3.11 -1.40 0.58 116.57 123.62 1f62 h LYS 4 Ca -0.38 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.44 1f62 h LYS 4 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1f62 h LYS 4 CO 0.41 -0.01 -0.16 0.28 -2.81 0.00 0.00 179.45 177.17 1f62 h VAL 5 N -0.01 0.69 -0.14 2.00 2.07 -1.98 -3.34 116.25 115.55 1f62 h VAL 5 Ca 0.09 -0.43 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 1f62 h VAL 5 Cb 0.15 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1f62 h VAL 5 CO -0.20 0.09 -0.55 0.00 0.02 0.00 0.00 177.57 176.93 1f62 n ARG 7 N -4.15 -2.69 -3.81 0.00 1.74 0.19 -4.97 116.66 102.97 1f62 n ARG 7 Ca -0.07 0.90 -0.09 0.00 -0.77 0.00 0.00 57.85 57.81 1f62 n ARG 7 Cb 0.62 -5.61 -0.04 0.00 -1.02 0.00 0.00 32.46 26.42 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 -5.26 1.48 -1.12 5.56 -0.14 -1.26 -4.95 119.74 114.04 1f62 s LYS 8 Ca 0.10 -0.96 -0.22 0.00 -1.36 0.00 0.00 55.97 53.53 1f62 s LYS 8 Cb -0.05 0.52 0.02 0.00 -1.68 0.00 0.00 37.83 36.65 1f62 s LYS 8 CO 0.12 -0.63 1.70 0.21 -0.76 0.00 0.00 175.35 175.99 1f62 s LYS 9 N -3.91 3.39 0.00 1.68 2.20 -1.25 -3.43 119.74 118.42 1f62 s LYS 9 Ca 0.12 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 1f62 s LYS 9 Cb -0.02 -5.35 0.00 0.00 -1.51 0.00 0.00 37.83 30.95 1f62 s LYS 9 CO 0.01 -2.68 0.00 0.41 -0.36 0.00 0.00 175.35 172.73 1f62 n GLY 10 N 6.24 0.52 2.86 5.54 0.00 -1.26 -4.80 105.19 114.29 1f62 n GLY 10 Ca 0.41 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1f62 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f62 n GLU 11 N 0.00 3.01 -1.54 1.61 4.71 -1.26 -4.86 120.64 122.31 1f62 n GLU 11 Ca 0.00 -2.83 -0.42 0.00 -0.01 0.00 0.00 57.16 53.90 1f62 n GLU 11 Cb 0.00 -3.26 -0.02 0.00 -1.01 0.00 0.00 31.44 27.15 1f62 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1f62 n ASP 12 N 6.05 3.77 -0.11 1.62 9.92 -1.26 -4.31 116.55 132.23 1f62 n ASP 12 Ca 0.50 -2.77 -0.17 0.00 -0.53 0.00 0.00 54.79 51.81 1f62 n ASP 12 Cb 0.40 -1.50 -0.06 0.00 -0.64 0.00 0.00 41.12 39.32 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1f62 n ASP 13 N 6.30 1.94 -3.34 -2.24 2.03 -1.26 -4.92 116.55 115.06 1f62 n ASP 13 Ca 0.53 0.34 -0.23 0.00 0.52 0.00 0.00 54.79 55.94 1f62 n ASP 13 Cb 0.38 -0.77 -0.09 0.00 -0.72 0.00 0.00 41.12 39.92 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 -2.75 0.77 0.81 -0.67 1.02 -1.26 -5.14 119.74 112.53 1f62 s LYS 14 Ca -0.32 -1.53 -0.11 0.00 0.02 0.00 0.00 55.97 54.02 1f62 s LYS 14 Cb 0.08 -1.10 0.08 0.00 -0.52 0.00 0.00 37.83 36.37 1f62 s LYS 14 CO 0.45 -1.30 1.09 -0.51 -0.92 0.00 0.00 175.35 174.17 1f62 s LEU 15 N 0.70 2.59 -0.28 3.17 1.02 -1.26 -2.96 118.68 121.65 1f62 s LEU 15 Ca 0.25 1.41 -0.01 0.00 0.02 0.00 0.00 54.13 55.80 1f62 s LEU 15 Cb -0.08 -4.01 0.18 0.00 0.02 0.00 0.00 46.19 42.30 1f62 s LEU 15 CO -0.09 -2.09 0.54 -0.51 0.02 0.00 0.00 176.35 174.22 1f62 s ILE 16 N -3.08 -0.89 0.02 -0.59 2.07 0.04 -4.85 121.20 113.93 1f62 s ILE 16 Ca 0.61 -0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.68 1f62 s ILE 16 Cb -0.15 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.43 1f62 s ILE 16 CO 0.55 -0.04 0.43 -0.76 -1.91 0.00 0.00 174.94 173.22 1f62 s LEU 17 N 2.77 4.48 -0.46 8.50 1.02 -1.26 -1.73 118.68 132.00 1f62 s LEU 17 Ca 0.18 1.01 -0.28 0.00 0.02 0.00 0.00 54.13 55.06 1f62 s LEU 17 Cb -0.15 -2.66 -0.01 0.00 0.02 0.00 0.00 46.19 43.39 1f62 s LEU 17 CO -0.20 0.31 1.69 0.00 0.02 0.00 0.00 176.35 178.17 1f62 h ASP 19 N 12.82 0.00 0.00 0.00 3.04 -1.60 0.77 116.42 131.45 1f62 h ASP 19 Ca -0.29 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 1f62 h ASP 19 Cb 1.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1f62 h ASP 19 CO 1.12 0.16 0.00 -0.62 -2.04 0.00 0.00 179.24 177.86 1f62 n GLU 20 N -3.70 0.00 -0.25 4.15 1.02 -1.26 -4.40 120.64 116.20 1f62 n GLU 20 Ca -0.02 0.45 0.08 0.00 -0.02 0.00 0.00 57.16 57.66 1f62 n GLU 20 Cb 0.28 -1.27 0.22 0.00 -0.02 0.00 0.00 31.44 30.65 1f62 n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f62 n ASN 22 N 0.99 -7.72 -3.89 0.00 5.15 0.26 -5.04 115.26 105.02 1f62 n ASN 22 Ca 0.17 0.16 -0.24 0.00 -0.60 0.00 0.00 54.58 54.07 1f62 n ASN 22 Cb 0.51 -5.14 -0.17 0.00 -0.53 0.00 0.00 39.78 34.45 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1f62 s LYS 23 N -2.88 1.17 0.25 1.20 -0.14 -1.23 -4.94 119.74 113.17 1f62 s LYS 23 Ca 0.12 -0.15 -0.30 0.00 -1.36 0.00 0.00 55.97 54.28 1f62 s LYS 23 Cb -0.03 -1.24 -0.09 0.00 -1.68 0.00 0.00 37.83 34.78 1f62 s LYS 23 CO 0.77 -0.19 1.09 0.00 -0.76 0.00 0.00 175.35 176.25 1f62 s ALA 24 N 1.46 3.40 0.16 5.17 0.00 -1.26 -1.13 121.76 129.55 1f62 s ALA 24 Ca -0.01 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 1f62 s ALA 24 Cb -0.13 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1f62 s ALA 24 CO -0.04 -0.14 0.12 -0.06 0.00 0.00 0.00 175.76 175.64 1f62 s PHE 25 N -0.94 0.86 0.06 0.00 0.40 -0.71 -0.92 117.98 116.73 1f62 s PHE 25 Ca 0.45 -1.19 -0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1f62 s PHE 25 Cb -0.31 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1f62 s PHE 25 CO 0.39 -0.60 0.22 -1.01 0.70 0.00 0.00 175.22 174.92 1f62 s HIS 26 N -4.07 3.52 0.26 0.36 3.76 -1.26 -0.78 115.29 117.08 1f62 s HIS 26 Ca 0.27 0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 55.43 1f62 s HIS 26 Cb 0.06 -1.78 0.45 0.00 1.11 0.00 0.00 32.58 32.42 1f62 s HIS 26 CO 0.05 0.58 1.82 -0.07 -0.85 0.00 0.00 174.74 176.26 1f62 h LEU 27 N 3.08 0.76 -0.35 0.89 3.38 -1.86 -2.14 115.31 119.06 1f62 h LEU 27 Ca -0.45 0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.64 1f62 h LEU 27 Cb 1.16 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1f62 h LEU 27 CO 0.76 0.42 -0.27 -0.26 0.09 0.00 0.00 178.44 179.18 1f62 h PHE 28 N 0.86 -0.72 -0.30 1.13 0.04 -1.87 0.14 116.94 116.23 1f62 h PHE 28 Ca 0.43 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 61.12 1f62 h PHE 28 Cb 0.40 0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 1f62 h PHE 28 CO -0.04 -0.34 -0.34 0.00 -0.60 0.00 0.00 178.31 176.99 1f62 n LEU 30 N -4.06 2.43 -3.51 0.00 4.77 -0.84 -4.91 117.00 110.87 1f62 n LEU 30 Ca -0.01 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.74 1f62 n LEU 30 Cb 0.49 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1f62 n LEU 30 CO 0.45 -0.05 -0.28 -0.13 -1.33 0.00 0.00 177.39 176.05 1f62 s ARG 31 N -0.11 1.03 0.49 3.23 1.81 0.48 -5.02 118.95 120.87 1f62 s ARG 31 Ca 0.00 -2.03 0.18 0.00 -1.72 0.00 0.00 55.73 52.16 1f62 s ARG 31 Cb 0.00 -1.73 1.22 0.00 -0.45 0.00 0.00 34.95 33.99 1f62 s ARG 31 CO 0.00 -1.30 2.07 -1.00 -0.68 0.00 0.00 175.30 174.39 1f62 h PRO 32 N 6.11 0.00 -0.85 3.54 0.13 -1.63 -0.84 132.00 138.46 1f62 h PRO 32 Ca 0.16 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.45 1f62 h PRO 32 Cb 0.91 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.98 1f62 h PRO 32 CO 0.40 0.11 0.56 0.00 -0.23 0.00 0.00 178.00 178.83 1f62 h ALA 33 N 1.89 1.96 -0.90 -0.56 0.00 -1.94 -3.28 119.26 116.44 1f62 h ALA 33 Ca -0.00 0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.44 1f62 h ALA 33 Cb 0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1f62 h ALA 33 CO 0.01 -0.19 1.26 -0.51 0.00 0.00 0.00 179.25 179.81 1f62 s LEU 34 N -9.64 3.38 0.21 0.00 1.43 -0.32 -4.82 118.68 108.92 1f62 s LEU 34 Ca -0.09 -1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 51.72 1f62 s LEU 34 Cb 0.22 -2.57 0.17 0.00 0.03 0.00 0.00 46.19 44.04 1f62 s LEU 34 CO 0.78 -2.03 1.54 1.88 0.23 0.00 0.00 176.35 178.75 1f62 h TYR 35 N 10.14 0.61 -2.33 0.29 0.05 -1.82 -3.44 116.97 120.47 1f62 h TYR 35 Ca 0.19 -0.21 -0.50 0.00 0.05 0.00 0.00 58.73 58.26 1f62 h TYR 35 Cb 0.99 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 1f62 h TYR 35 CO 1.27 0.91 -0.46 -1.21 -1.05 0.00 0.00 178.16 177.61 1f62 s GLU 36 N -4.02 3.32 0.01 4.88 8.01 -1.26 -5.02 118.70 124.62 1f62 s GLU 36 Ca -0.07 -0.77 -0.30 0.00 0.01 0.00 0.00 54.97 53.84 1f62 s GLU 36 Cb 0.12 -2.84 -0.07 0.00 -4.31 0.00 0.00 34.13 27.03 1f62 s GLU 36 CO 0.83 0.45 1.60 0.08 0.01 0.00 0.00 175.26 178.23 1f62 s VAL 37 N -1.92 3.39 0.60 2.63 1.01 -1.26 -4.97 120.40 119.88 1f62 s VAL 37 Ca 0.34 0.69 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 1f62 s VAL 37 Cb -0.09 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1f62 s VAL 37 CO 0.28 -0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.30 1f62 s PRO 38 N 3.14 3.10 -0.69 2.72 0.04 -1.26 -4.91 135.00 137.15 1f62 s PRO 38 Ca 0.72 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 1f62 s PRO 38 Cb -0.36 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1f62 s PRO 38 CO 0.30 -1.02 2.92 -0.25 0.04 0.00 0.00 177.00 178.99 1f62 n ASP 39 N -1.92 6.82 0.00 6.66 8.00 -1.26 -4.82 116.55 130.03 1f62 n ASP 39 Ca 0.11 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.67 1f62 n ASP 39 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 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 1.80 -1.32 3.72 0.44 0.00 -1.26 -5.17 105.19 103.40 1f62 n GLY 40 Ca 0.54 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1f62 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f62 s GLU 41 N -0.86 1.56 -0.07 1.61 8.01 -1.26 -5.09 118.70 122.60 1f62 s GLU 41 Ca 0.00 1.06 -0.19 0.00 0.01 0.00 0.00 54.97 55.85 1f62 s GLU 41 Cb 0.00 -1.82 0.04 0.00 -4.31 0.00 0.00 34.13 28.04 1f62 s GLU 41 CO 0.00 -2.10 0.45 -0.46 0.01 0.00 0.00 175.26 173.15 1f62 s TRP 42 N -2.86 -0.39 0.04 1.61 -0.11 -1.26 -5.06 118.94 110.91 1f62 s TRP 42 Ca 0.63 0.76 0.01 0.00 1.22 0.00 0.00 56.10 58.72 1f62 s TRP 42 Cb -0.19 0.20 -0.03 0.00 -1.50 0.00 0.00 33.47 31.95 1f62 s TRP 42 CO 0.57 -0.40 -0.06 1.14 -4.62 0.00 0.00 176.95 173.58 1f62 s GLN 43 N -0.84 0.52 0.79 5.86 0.00 -1.26 -1.48 119.66 123.24 1f62 s GLN 43 Ca -0.09 -0.83 -0.11 0.00 -0.00 0.00 0.00 55.36 54.32 1f62 s GLN 43 Cb -0.03 -0.14 0.06 0.00 0.00 0.00 0.00 33.01 32.90 1f62 s GLN 43 CO 0.05 0.00 1.09 0.00 0.00 0.00 0.00 175.29 176.43 1f62 h PRO 45 N -1.08 0.00 -0.26 0.00 0.11 -2.02 0.12 132.00 128.88 1f62 h PRO 45 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 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 0.57 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 177.94 1f62 h ALA 46 N 1.23 0.79 0.01 -0.75 0.00 -1.99 -2.29 119.26 116.25 1f62 h ALA 46 Ca 0.37 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1f62 h ALA 46 Cb 1.88 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.58 1f62 h ALA 46 CO -0.00 0.66 -0.74 0.00 0.00 0.00 0.00 179.25 179.16 1f62 n GLN 48 N -4.11 2.59 -2.17 0.00 10.64 -0.24 -5.01 117.38 119.07 1f62 n GLN 48 Ca -0.11 -4.51 -0.28 0.00 -1.83 0.00 0.00 57.00 50.27 1f62 n GLN 48 Cb 0.74 -2.37 0.16 0.00 -0.86 0.00 0.00 30.24 27.90 1f62 n GLN 48 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1f62 s PRO 49 N -1.64 1.00 -0.80 2.61 0.04 -0.86 -4.47 135.00 130.87 1f62 s PRO 49 Ca 0.29 -0.68 -0.25 0.00 0.04 0.00 0.00 61.00 60.40 1f62 s PRO 49 Cb -0.03 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1f62 s PRO 49 CO -0.11 -2.08 1.79 0.00 0.04 0.00 0.00 177.00 176.64 1f62 s ALA 50 N -3.62 2.08 0.00 8.56 0.00 -1.26 -5.11 121.76 122.41 1f62 s ALA 50 Ca 0.71 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1f62 s ALA 50 Cb -0.04 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1f62 s ALA 50 CO 0.50 -4.19 0.00 -2.37 0.00 0.00 0.00 175.76 169.69