#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaf n GLN 2 N 0.00 -3.59 -2.49 2.12 0.00 -1.26 -4.97 117.38 107.19 1aaf n GLN 2 Ca 0.00 2.60 -0.05 0.00 -0.00 0.00 0.00 57.00 59.55 1aaf n GLN 2 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 30.24 27.36 1aaf n GLN 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1aaf n ARG 3 N 0.32 -4.29 0.00 3.69 5.12 -1.26 -5.05 116.66 115.19 1aaf n ARG 3 Ca 0.00 3.26 0.00 0.00 -1.93 0.00 0.00 57.85 59.18 1aaf n ARG 3 Cb 0.00 -4.75 0.00 0.00 -1.16 0.00 0.00 32.46 26.55 1aaf n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aaf n GLY 4 N 1.58 3.59 2.33 -0.13 0.00 -1.26 -5.08 105.19 106.21 1aaf n GLY 4 Ca -0.39 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 1aaf n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aaf n ASN 5 N 0.00 -5.33 0.00 1.61 3.02 -1.26 -4.73 115.26 108.58 1aaf n ASN 5 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1aaf n ASN 5 Cb 0.00 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 1aaf n ASN 5 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1aaf n PHE 6 N -0.96 0.00 -1.35 3.10 1.16 -1.26 -5.05 117.46 113.10 1aaf n PHE 6 Ca 0.03 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.79 1aaf n PHE 6 Cb 0.39 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.21 1aaf n PHE 6 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1aaf n ARG 7 N -0.02 -2.72 -2.19 3.97 5.12 -1.26 -5.02 116.66 114.54 1aaf n ARG 7 Ca 0.00 1.80 -0.03 0.00 -1.93 0.00 0.00 57.85 57.70 1aaf n ARG 7 Cb 0.00 -3.31 0.00 0.00 -1.16 0.00 0.00 32.46 27.99 1aaf n ARG 7 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1aaf n ASN 8 N -4.03 -5.21 0.00 0.55 5.15 -1.26 -5.02 115.26 105.44 1aaf n ASN 8 Ca 0.01 0.48 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1aaf n ASN 8 Cb 0.61 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.52 1aaf n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aaf n GLN 9 N -0.08 0.00 0.00 1.20 6.02 -1.26 -5.04 117.38 118.22 1aaf n GLN 9 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1aaf n GLN 9 Cb 0.15 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.16 1aaf n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1aaf n ARG 10 N -1.82 0.00 -2.29 -1.09 5.12 -1.26 -4.79 116.66 110.54 1aaf n ARG 10 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1aaf n ARG 10 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1aaf n ARG 10 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1aaf n LYS 11 N 0.00 -3.84 0.02 5.56 3.00 -1.26 -5.03 118.16 116.61 1aaf n LYS 11 Ca 0.00 2.96 0.00 0.00 -0.00 0.00 0.00 58.31 61.27 1aaf n LYS 11 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 35.03 30.87 1aaf n LYS 11 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1aaf n ILE 12 N 1.40 0.00 -3.31 3.15 3.06 -1.26 -5.09 119.36 117.30 1aaf n ILE 12 Ca -0.25 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 59.84 1aaf n ILE 12 Cb 0.38 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.62 1aaf n ILE 12 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1aaf n ILE 13 N -2.47 -8.72 -4.11 9.51 0.13 -1.26 -4.62 119.36 107.83 1aaf n ILE 13 Ca 0.00 -1.20 -0.35 0.00 -1.10 0.00 0.00 62.75 60.10 1aaf n ILE 13 Cb 0.00 -6.20 -0.07 0.00 -0.84 0.00 0.00 39.64 32.53 1aaf n ILE 13 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 1aaf s LYS 14 N -4.54 3.20 -0.23 9.51 0.00 -1.26 -0.25 119.74 126.17 1aaf s LYS 14 Ca 0.42 -0.30 -0.08 0.00 0.00 0.00 0.00 55.97 56.01 1aaf s LYS 14 Cb -0.07 -2.98 -0.04 0.00 0.00 0.00 0.00 37.83 34.74 1aaf s LYS 14 CO 0.76 0.72 0.09 0.00 0.00 0.00 0.00 175.35 176.92 1aaf h PHE 16 N 7.69 0.00 0.00 0.00 0.04 -1.88 -0.59 116.94 122.20 1aaf h PHE 16 Ca -0.37 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.13 1aaf h PHE 16 Cb 1.18 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 1aaf h PHE 16 CO 0.65 0.01 -1.55 -1.71 -0.60 0.00 0.00 178.31 175.11 1aaf n ASN 17 N -3.11 1.89 -0.01 2.17 5.15 -1.26 -4.42 115.26 115.66 1aaf n ASN 17 Ca 0.01 0.41 -0.13 0.00 -0.60 0.00 0.00 54.58 54.27 1aaf n ASN 17 Cb 0.33 -0.91 -0.14 0.00 -0.53 0.00 0.00 39.78 38.53 1aaf n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aaf n GLY 19 N 1.72 1.65 3.39 0.00 0.00 -0.23 -5.07 105.19 106.66 1aaf n GLY 19 Ca -0.23 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1aaf n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s LYS 20 N 0.00 -2.20 -0.05 1.61 1.02 -1.25 -4.51 119.74 114.36 1aaf s LYS 20 Ca 0.00 0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.31 1aaf s LYS 20 Cb 0.00 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.83 1aaf s LYS 20 CO 0.00 -4.43 -0.12 -1.83 -0.92 0.00 0.00 175.35 168.05 1aaf s GLU 21 N -4.95 2.57 0.00 1.68 4.04 -1.26 -1.52 118.70 119.26 1aaf s GLU 21 Ca 0.69 -0.66 0.00 0.00 0.04 0.00 0.00 54.97 55.04 1aaf s GLU 21 Cb -0.16 -2.44 0.00 0.00 0.02 0.00 0.00 34.13 31.55 1aaf s GLU 21 CO 0.59 0.64 0.00 0.41 -1.84 0.00 0.00 175.26 175.06 1aaf n GLY 22 N 2.27 1.92 3.63 -3.83 0.00 0.65 -4.99 105.19 104.84 1aaf n GLY 22 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1aaf n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 23 N -2.00 -0.08 0.38 1.61 -3.43 -0.81 -5.04 115.29 105.93 1aaf s HIS 23 Ca 0.00 -0.04 0.07 0.00 -0.80 0.00 0.00 55.06 54.30 1aaf s HIS 23 Cb 0.00 0.55 -0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1aaf s HIS 23 CO 0.00 -0.35 0.50 0.96 -2.00 0.00 0.00 174.74 173.85 1aaf s ILE 24 N -2.57 3.39 -0.13 -5.38 -4.36 -1.26 -3.12 121.20 107.78 1aaf s ILE 24 Ca 0.13 -1.05 0.16 0.00 -0.26 0.00 0.00 60.65 59.62 1aaf s ILE 24 Cb 0.03 -3.16 -0.05 0.00 1.25 0.00 0.00 42.46 40.52 1aaf s ILE 24 CO -0.03 -0.07 1.11 0.00 0.24 0.00 0.00 174.94 176.19 1aaf h ALA 25 N 0.80 0.64 0.00 2.27 0.00 -1.94 -1.80 119.26 119.24 1aaf h ALA 25 Ca -0.42 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 53.80 1aaf h ALA 25 Cb 1.27 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1aaf h ALA 25 CO 0.50 0.80 -0.05 0.87 0.00 0.00 0.00 179.25 181.37 1aaf h LYS 26 N 0.00 0.00 -0.74 0.00 1.79 -2.01 -1.88 116.57 113.74 1aaf h LYS 26 Ca -0.09 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.98 1aaf h LYS 26 Cb 1.50 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.92 1aaf h LYS 26 CO 0.06 0.05 0.33 -1.71 -1.08 0.00 0.00 179.45 177.10 1aaf n ASN 27 N -4.35 3.64 -4.35 0.86 2.85 -0.69 -4.98 115.26 108.24 1aaf n ASN 27 Ca -0.03 -3.71 -0.36 0.00 -0.11 0.00 0.00 54.58 50.37 1aaf n ASN 27 Cb 0.13 -0.75 -0.13 0.00 1.24 0.00 0.00 39.78 40.27 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aaf n ARG 29 N 4.85 2.06 -3.33 0.00 0.00 -1.26 -4.97 116.66 113.99 1aaf n ARG 29 Ca -0.17 -2.37 -0.33 0.00 -0.00 0.00 0.00 57.85 54.98 1aaf n ARG 29 Cb 0.50 -1.93 -0.06 0.00 0.00 0.00 0.00 32.46 30.98 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1aaf s ALA 30 N -2.65 3.52 0.00 5.13 0.00 -1.26 -5.07 121.76 121.43 1aaf s ALA 30 Ca 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1aaf s ALA 30 Cb 0.37 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1aaf s ALA 30 CO 0.06 0.45 0.00 -0.35 0.00 0.00 0.00 175.76 175.92 1aaf n PRO 31 N 0.18 0.00 -3.10 0.00 -0.04 -1.26 -5.06 135.00 125.72 1aaf n PRO 31 Ca -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1aaf n PRO 31 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1aaf n PRO 31 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1aaf s ARG 32 N 0.14 0.13 0.19 0.54 3.00 -1.26 -4.93 118.95 116.75 1aaf s ARG 32 Ca 0.00 0.10 -0.32 0.00 -1.00 0.00 0.00 55.73 54.51 1aaf s ARG 32 Cb 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 34.95 34.89 1aaf s ARG 32 CO 0.00 -0.24 1.68 -1.59 0.00 0.00 0.00 175.30 175.15 1aaf s LYS 33 N 2.84 4.16 0.00 5.12 -2.85 -1.26 -4.85 119.74 122.89 1aaf s LYS 33 Ca 0.27 2.52 0.00 0.00 -1.00 0.00 0.00 55.97 57.76 1aaf s LYS 33 Cb -0.01 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.62 1aaf s LYS 33 CO -0.22 -0.71 0.00 -2.13 0.10 0.00 0.00 175.35 172.39 1aaf n ARG 34 N 4.13 0.00 0.00 1.78 3.00 -1.26 -5.19 116.66 119.12 1aaf n ARG 34 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1aaf n ARG 34 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 1aaf n ARG 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aaf n GLY 35 N 1.24 0.69 3.68 5.14 0.00 -1.26 -4.92 105.19 109.76 1aaf n GLY 35 Ca 0.00 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf h TRP 37 N 7.30 0.00 0.17 0.00 7.01 -1.89 0.17 115.95 128.71 1aaf h TRP 37 Ca -0.35 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.35 1aaf h TRP 37 Cb 1.16 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 28.23 1aaf h TRP 37 CO 0.69 0.52 -1.35 -0.22 -2.79 0.00 0.00 178.44 175.29 1aaf h LYS 38 N 0.00 0.35 0.00 2.65 3.64 -1.95 -3.39 116.57 117.88 1aaf h LYS 38 Ca -0.02 -0.60 -0.28 0.00 -1.27 0.00 0.00 60.65 58.47 1aaf h LYS 38 Cb 1.42 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 33.42 1aaf h LYS 38 CO 0.06 1.28 -1.95 0.00 -2.27 0.00 0.00 179.45 176.58 1aaf n GLY 40 N 2.11 1.30 3.46 0.00 0.00 0.61 -5.09 105.19 107.57 1aaf n GLY 40 Ca -0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1aaf n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aaf s LYS 41 N 0.00 -1.67 -0.13 1.61 2.20 -1.22 -4.43 119.74 116.09 1aaf s LYS 41 Ca 0.00 0.33 0.15 0.00 -0.36 0.00 0.00 55.97 56.08 1aaf s LYS 41 Cb 0.00 -1.51 0.32 0.00 -1.51 0.00 0.00 37.83 35.13 1aaf s LYS 41 CO 0.00 -4.09 1.16 0.39 -0.36 0.00 0.00 175.35 172.45 1aaf n GLU 42 N -5.10 1.08 -0.08 4.03 4.71 -1.26 0.29 120.64 124.31 1aaf n GLU 42 Ca 0.09 -2.59 -0.17 0.00 -0.01 0.00 0.00 57.16 54.47 1aaf n GLU 42 Cb 0.58 -1.24 -0.06 0.00 -1.01 0.00 0.00 31.44 29.72 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1aaf n GLY 43 N -0.90 -0.26 3.77 0.62 0.00 -1.26 -4.89 105.19 102.27 1aaf n GLY 43 Ca 0.14 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1aaf n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 44 N -2.30 2.47 0.27 1.61 -3.43 -1.26 -5.05 115.29 107.59 1aaf s HIS 44 Ca -0.23 -0.63 0.08 0.00 -0.80 0.00 0.00 55.06 53.49 1aaf s HIS 44 Cb 0.09 -1.96 -0.04 0.00 -1.43 0.00 0.00 32.58 29.24 1aaf s HIS 44 CO 0.28 0.08 0.14 1.14 -2.00 0.00 0.00 174.74 174.38 1aaf s GLN 45 N -3.97 2.66 0.29 -0.38 -2.07 -1.26 -3.82 119.66 111.12 1aaf s GLN 45 Ca 0.39 -1.23 0.05 0.00 -1.82 0.00 0.00 55.36 52.75 1aaf s GLN 45 Cb 0.02 -2.40 0.45 0.00 -1.09 0.00 0.00 33.01 30.00 1aaf s GLN 45 CO 0.22 0.34 1.72 1.98 -1.32 0.00 0.00 175.29 178.23 1aaf h MET 46 N 1.60 0.35 0.00 9.60 1.85 -1.92 0.33 114.93 126.74 1aaf h MET 46 Ca -0.46 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 58.45 1aaf h MET 46 Cb 1.24 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 33.26 1aaf h MET 46 CO 0.61 0.64 -0.16 0.87 -0.40 0.00 0.00 176.91 178.47 1aaf h LYS 47 N 0.30 0.00 0.05 0.39 1.79 -1.99 0.43 116.57 117.54 1aaf h LYS 47 Ca 0.04 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.25 1aaf h LYS 47 Cb 0.73 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1aaf h LYS 47 CO 0.06 0.16 -1.30 -0.44 -1.08 0.00 0.00 179.45 176.84 1aaf h ASP 48 N 0.00 0.17 -3.03 0.86 3.32 -1.57 -3.46 116.42 112.71 1aaf h ASP 48 Ca -0.00 -0.22 -0.57 0.00 0.02 0.00 0.00 57.03 56.26 1aaf h ASP 48 Cb 0.52 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1aaf h ASP 48 CO 0.02 1.18 1.10 0.00 -1.72 0.00 0.00 179.24 179.82 1aaf n THR 50 N 6.82 1.49 0.00 0.00 -2.24 -1.26 -4.93 114.28 114.16 1aaf n THR 50 Ca 0.18 -3.06 0.00 0.00 -2.27 0.00 0.00 64.05 58.89 1aaf n THR 50 Cb 0.47 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1aaf n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1aaf n GLU 51 N -0.54 0.00 -3.55 -0.78 -0.58 -1.26 -4.41 120.64 109.51 1aaf n GLU 51 Ca 0.16 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.79 1aaf n GLU 51 Cb 0.87 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.70 1aaf n GLU 51 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1aaf s ARG 52 N 0.00 0.71 0.00 3.49 3.52 -1.26 -5.11 118.95 120.30 1aaf s ARG 52 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1aaf s ARG 52 Cb 0.00 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1aaf s ARG 52 CO 0.00 -0.25 0.00 1.04 -0.81 0.00 0.00 175.30 175.28 1aaf n GLN 53 N 0.47 0.00 -3.42 5.12 1.13 -1.26 -4.97 117.38 114.45 1aaf n GLN 53 Ca -0.11 0.28 -0.22 0.00 -1.94 0.00 0.00 57.00 55.01 1aaf n GLN 53 Cb 0.59 -0.75 0.07 0.00 0.11 0.00 0.00 30.24 30.26 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aaf n ALA 54 N -1.92 -1.16 1.93 -1.58 0.00 -1.26 -5.24 120.51 111.29 1aaf n ALA 54 Ca 0.00 0.36 0.15 0.00 0.00 0.00 0.00 53.44 53.95 1aaf n ALA 54 Cb 0.00 -4.90 0.92 0.00 0.00 0.00 0.00 19.45 15.46 1aaf n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77