#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaf s GLN 2 N 0.00 2.60 -0.58 2.12 -0.21 -1.26 -4.84 119.66 117.50 1aaf s GLN 2 Ca 0.00 0.93 -0.26 0.00 0.02 0.00 0.00 55.36 56.05 1aaf s GLN 2 Cb 0.00 -1.95 -0.07 0.00 1.00 0.00 0.00 33.01 31.99 1aaf s GLN 2 CO 0.00 -1.33 2.29 1.03 -2.12 0.00 0.00 175.29 175.17 1aaf s ARG 3 N -5.04 2.13 -0.31 2.91 3.00 -1.26 -4.70 118.95 115.69 1aaf s ARG 3 Ca 0.59 1.05 0.16 0.00 0.00 0.00 0.00 55.73 57.53 1aaf s ARG 3 Cb -0.15 -4.60 0.47 0.00 0.00 0.00 0.00 34.95 30.67 1aaf s ARG 3 CO 0.55 -3.38 1.08 0.41 0.00 0.00 0.00 175.30 173.97 1aaf n GLY 4 N 6.11 3.20 3.60 -3.53 0.00 -1.26 -5.08 105.19 108.23 1aaf n GLY 4 Ca 0.36 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1aaf n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s ASN 5 N -3.55 5.49 -0.01 1.61 2.20 -1.26 -4.74 114.94 114.69 1aaf s ASN 5 Ca 0.35 1.73 -0.02 0.00 -0.94 0.00 0.00 52.86 53.97 1aaf s ASN 5 Cb 0.39 -2.51 -0.01 0.00 -2.00 0.00 0.00 41.25 37.11 1aaf s ASN 5 CO -0.02 -1.96 -0.05 0.33 -2.94 0.00 0.00 177.10 172.46 1aaf n PHE 6 N 11.61 0.00 -2.57 1.54 -0.00 -1.26 -5.10 117.46 121.68 1aaf n PHE 6 Ca 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.70 1aaf n PHE 6 Cb 0.46 -0.11 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 1aaf n PHE 6 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1aaf n ARG 7 N -3.30 -2.37 -3.63 -4.13 5.12 -1.26 -5.02 116.66 102.07 1aaf n ARG 7 Ca -0.06 2.09 -0.21 0.00 -1.93 0.00 0.00 57.85 57.74 1aaf n ARG 7 Cb 0.41 -4.83 -0.03 0.00 -1.16 0.00 0.00 32.46 26.86 1aaf n ARG 7 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1aaf s ASN 8 N -1.92 5.25 -0.30 0.55 2.20 -1.26 -5.12 114.94 114.34 1aaf s ASN 8 Ca 0.12 -0.58 -0.14 0.00 -0.94 0.00 0.00 52.86 51.32 1aaf s ASN 8 Cb -0.03 -0.79 0.17 0.00 -2.00 0.00 0.00 41.25 38.60 1aaf s ASN 8 CO 0.64 -0.51 1.03 -1.58 -2.94 0.00 0.00 177.10 173.74 1aaf s GLN 9 N -4.09 0.24 0.00 3.55 2.00 -1.26 -5.17 119.66 114.94 1aaf s GLN 9 Ca 0.45 0.54 0.00 0.00 -2.00 0.00 0.00 55.36 54.35 1aaf s GLN 9 Cb -0.05 0.32 0.00 0.00 0.80 0.00 0.00 33.01 34.08 1aaf s GLN 9 CO 0.28 -0.14 0.00 0.54 -0.50 0.00 0.00 175.29 175.46 1aaf n ARG 10 N 5.10 -0.30 -0.19 1.67 5.12 -1.26 -5.03 116.66 121.77 1aaf n ARG 10 Ca -0.08 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.69 1aaf n ARG 10 Cb 0.53 0.00 0.15 0.00 -1.16 0.00 0.00 32.46 31.98 1aaf n ARG 10 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1aaf n LYS 11 N -1.00 -3.25 -3.69 5.56 0.00 -1.26 -5.07 118.16 109.44 1aaf n LYS 11 Ca 0.00 -0.78 -0.09 0.00 -0.00 0.00 0.00 58.31 57.45 1aaf n LYS 11 Cb 0.00 -0.95 -0.02 0.00 -0.00 0.00 0.00 35.03 34.06 1aaf n LYS 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1aaf s ILE 12 N -1.65 0.00 -0.05 0.58 2.07 -1.26 -5.18 121.20 115.71 1aaf s ILE 12 Ca 0.35 -0.60 -0.31 0.00 -1.41 0.00 0.00 60.65 58.68 1aaf s ILE 12 Cb -0.06 -1.62 0.13 0.00 0.13 0.00 0.00 42.46 41.04 1aaf s ILE 12 CO 0.29 0.00 1.29 -0.51 -1.91 0.00 0.00 174.94 174.10 1aaf s ILE 13 N -3.79 0.00 0.37 2.00 1.10 -1.26 -5.17 121.20 114.45 1aaf s ILE 13 Ca 0.07 -0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.04 1aaf s ILE 13 Cb -0.04 -1.83 0.00 0.00 0.15 0.00 0.00 42.46 40.74 1aaf s ILE 13 CO -0.01 0.00 0.00 2.29 -2.11 0.00 0.00 174.94 175.11 1aaf n LYS 14 N -0.42 -2.28 -1.76 3.50 -0.00 -1.26 -4.66 118.16 111.28 1aaf n LYS 14 Ca -0.07 1.75 -0.42 0.00 -0.00 0.00 0.00 58.31 59.56 1aaf n LYS 14 Cb 0.62 -2.86 -0.03 0.00 -0.00 0.00 0.00 35.03 32.76 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aaf h PHE 16 N 9.07 0.00 0.00 0.00 -1.00 -1.86 -0.85 116.94 122.30 1aaf h PHE 16 Ca -0.46 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.06 1aaf h PHE 16 Cb 1.22 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.74 1aaf h PHE 16 CO 0.83 0.06 -1.44 -1.71 -1.61 0.00 0.00 178.31 174.44 1aaf n ASN 17 N -3.21 1.87 -0.03 2.17 5.15 -1.26 -4.48 115.26 115.48 1aaf n ASN 17 Ca 0.00 0.41 -0.20 0.00 -0.60 0.00 0.00 54.58 54.20 1aaf n ASN 17 Cb 0.32 -0.94 -0.14 0.00 -0.53 0.00 0.00 39.78 38.49 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 2.04 1.60 3.37 0.00 0.00 -0.33 -5.10 105.19 106.76 1aaf n GLY 19 Ca -0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.47 1.52 -0.21 1.61 1.02 -1.19 -4.85 119.74 117.17 1aaf s LYS 20 Ca 0.00 -1.26 -0.09 0.00 0.02 0.00 0.00 55.97 54.64 1aaf s LYS 20 Cb 0.00 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.37 1aaf s LYS 20 CO 0.00 0.46 0.11 -1.83 -0.92 0.00 0.00 175.35 173.18 1aaf s GLU 21 N -1.77 4.08 0.00 1.68 4.04 -1.26 0.31 118.70 125.78 1aaf s GLU 21 Ca 0.13 -0.28 0.00 0.00 0.04 0.00 0.00 54.97 54.86 1aaf s GLU 21 Cb -0.10 -3.38 0.00 0.00 0.02 0.00 0.00 34.13 30.67 1aaf s GLU 21 CO 0.05 0.22 0.00 0.41 -1.84 0.00 0.00 175.26 174.09 1aaf n GLY 22 N 3.75 2.87 3.49 -3.83 0.00 -1.26 -4.98 105.19 105.23 1aaf n GLY 22 Ca -0.16 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 2.09 0.38 1.61 -3.43 -1.26 -5.10 115.29 109.58 1aaf s HIS 23 Ca 0.00 -0.90 0.08 0.00 -0.80 0.00 0.00 55.06 53.44 1aaf s HIS 23 Cb 0.00 -1.40 -0.02 0.00 -1.43 0.00 0.00 32.58 29.73 1aaf s HIS 23 CO 0.00 0.11 0.33 0.96 -2.00 0.00 0.00 174.74 174.13 1aaf s ILE 24 N -3.16 3.04 -0.24 -5.38 -0.00 -1.26 -3.71 121.20 110.49 1aaf s ILE 24 Ca 0.36 -1.38 0.21 0.00 -0.00 0.00 0.00 60.65 59.84 1aaf s ILE 24 Cb 0.09 -3.07 0.03 0.00 -0.00 0.00 0.00 42.46 39.51 1aaf s ILE 24 CO 0.16 -0.08 1.12 0.00 -0.00 0.00 0.00 174.94 176.14 1aaf h ALA 25 N 1.15 0.62 -0.42 2.27 0.00 -1.92 -1.54 119.26 119.42 1aaf h ALA 25 Ca -0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1aaf h ALA 25 Cb 1.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1aaf h ALA 25 CO 0.58 0.20 0.25 0.87 0.00 0.00 0.00 179.25 181.16 1aaf h LYS 26 N 0.00 0.57 0.00 0.00 1.57 -2.02 0.82 116.57 117.50 1aaf h LYS 26 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1aaf h LYS 26 Cb 1.13 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1aaf h LYS 26 CO 0.01 0.40 -0.14 -0.97 -0.57 0.00 0.00 179.45 178.18 1aaf h ASN 27 N 0.58 0.00 -3.33 0.86 -0.00 -1.73 -3.47 115.58 108.49 1aaf h ASN 27 Ca 0.15 -0.01 -0.58 0.00 -0.00 0.00 0.00 56.30 55.87 1aaf h ASN 27 Cb -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.23 1aaf h ASN 27 CO -0.03 0.00 0.32 0.00 -0.00 0.00 0.00 177.43 177.72 1aaf n ARG 29 N 5.09 3.38 -2.22 0.00 3.00 -1.26 -4.95 116.66 119.69 1aaf n ARG 29 Ca 0.03 -4.35 -0.41 0.00 -0.00 0.00 0.00 57.85 53.12 1aaf n ARG 29 Cb 0.49 -2.21 -0.03 0.00 0.00 0.00 0.00 32.46 30.71 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 -3.55 3.52 1.00 5.13 0.00 -1.26 -4.93 121.76 121.66 1aaf s ALA 30 Ca 0.48 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1aaf s ALA 30 Cb 0.40 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1aaf s ALA 30 CO -0.11 -0.53 0.00 -0.35 0.00 0.00 0.00 175.76 174.77 1aaf n PRO 31 N 2.46 0.29 -3.28 0.00 -0.04 -1.26 -5.03 135.00 128.15 1aaf n PRO 31 Ca 0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1aaf n PRO 31 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.88 0.24 0.44 0.54 6.06 -1.26 -5.09 118.95 119.01 1aaf s ARG 32 Ca 0.00 0.54 0.00 0.00 -2.50 0.00 0.00 55.73 53.77 1aaf s ARG 32 Cb 0.00 0.32 0.00 0.00 0.06 0.00 0.00 34.95 35.33 1aaf s ARG 32 CO 0.00 -0.15 0.00 1.17 -2.50 0.00 0.00 175.30 173.82 1aaf n LYS 33 N 5.12 -3.63 -3.31 5.12 4.81 -1.26 -5.11 118.16 119.91 1aaf n LYS 33 Ca -0.08 2.73 0.03 0.00 -0.87 0.00 0.00 58.31 60.12 1aaf n LYS 33 Cb 0.53 -3.15 0.01 0.00 0.02 0.00 0.00 35.03 32.44 1aaf n LYS 33 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1aaf n ARG 34 N -1.27 0.04 0.00 1.64 1.85 -1.25 -5.01 116.66 112.66 1aaf n ARG 34 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 57.85 56.46 1aaf n ARG 34 Cb 0.09 0.72 0.00 0.00 -1.05 0.00 0.00 32.46 32.22 1aaf n ARG 34 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aaf n GLY 35 N -0.63 -1.32 3.69 2.89 0.00 -1.23 -4.72 105.19 103.85 1aaf n GLY 35 Ca 0.04 0.47 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 8.64 0.00 0.00 0.00 4.06 -1.88 -0.60 115.95 126.17 1aaf h TRP 37 Ca -0.46 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.49 1aaf h TRP 37 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1aaf h TRP 37 CO 0.80 0.03 -0.00 -0.22 -3.56 0.00 0.00 178.44 175.49 1aaf h LYS 38 N 0.00 -0.00 0.00 0.49 1.63 -1.93 -3.43 116.57 113.33 1aaf h LYS 38 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1aaf h LYS 38 Cb 0.06 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1aaf h LYS 38 CO 0.00 -0.00 -1.59 0.00 -3.45 0.00 0.00 179.45 174.41 1aaf n GLY 40 N 1.25 2.95 3.75 0.00 0.00 -0.23 -5.04 105.19 107.87 1aaf n GLY 40 Ca -0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 1.97 -0.01 1.61 2.20 -1.26 -3.56 119.74 120.70 1aaf s LYS 41 Ca 0.00 1.21 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 1aaf s LYS 41 Cb 0.00 -1.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.43 1aaf s LYS 41 CO 0.00 -1.86 -0.12 -1.21 -0.36 0.00 0.00 175.35 171.80 1aaf s GLU 42 N -4.86 2.43 0.00 4.03 8.01 -1.26 -0.08 118.70 126.96 1aaf s GLU 42 Ca 0.62 -0.77 0.00 0.00 0.01 0.00 0.00 54.97 54.84 1aaf s GLU 42 Cb -0.18 -2.39 0.00 0.00 -4.31 0.00 0.00 34.13 27.25 1aaf s GLU 42 CO 0.56 0.60 0.00 0.41 0.01 0.00 0.00 175.26 176.84 1aaf n GLY 43 N 1.84 1.79 3.90 -1.39 0.00 -1.26 -4.98 105.19 105.09 1aaf n GLY 43 Ca -0.16 0.00 -0.03 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 -2.00 0.08 0.51 1.61 -3.43 -1.26 -5.14 115.29 105.65 1aaf s HIS 44 Ca 0.00 -0.47 0.00 0.00 -0.80 0.00 0.00 55.06 53.80 1aaf s HIS 44 Cb 0.00 0.70 -0.00 0.00 -1.43 0.00 0.00 32.58 31.85 1aaf s HIS 44 CO 0.00 -0.90 0.01 0.94 -2.00 0.00 0.00 174.74 172.80 1aaf n GLN 45 N -0.72 0.74 -0.28 -0.38 0.00 -1.26 -4.34 117.38 111.14 1aaf n GLN 45 Ca -0.02 -3.74 -0.05 0.00 -0.00 0.00 0.00 57.00 53.18 1aaf n GLN 45 Cb 0.59 1.09 0.06 0.00 0.00 0.00 0.00 30.24 31.99 1aaf n GLN 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1aaf h MET 46 N 0.00 1.10 0.00 3.69 -1.53 -1.98 -0.32 114.93 115.89 1aaf h MET 46 Ca -0.42 -0.15 0.00 0.00 -3.44 0.00 0.00 59.70 55.69 1aaf h MET 46 Cb 1.29 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 32.14 1aaf h MET 46 CO 0.69 0.84 0.00 -0.22 0.14 0.00 0.00 176.91 178.37 1aaf h LYS 47 N 1.07 0.00 -0.06 0.39 1.63 -2.06 0.30 116.57 117.84 1aaf h LYS 47 Ca 0.26 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1aaf h LYS 47 Cb 0.10 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.65 1aaf h LYS 47 CO -0.04 0.00 -0.59 -0.25 -3.45 0.00 0.00 179.45 175.12 1aaf n ASP 48 N -2.79 1.86 -4.62 4.20 8.00 -0.19 -5.00 116.55 118.02 1aaf n ASP 48 Ca -0.01 -3.66 -0.38 0.00 0.71 0.00 0.00 54.79 51.45 1aaf n ASP 48 Cb 0.13 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.64 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aaf h THR 50 N 5.24 0.51 -3.08 0.00 1.35 -1.91 -3.49 112.91 111.54 1aaf h THR 50 Ca -0.35 -0.76 0.34 0.00 -0.55 0.00 0.00 66.41 65.09 1aaf h THR 50 Cb 1.18 1.52 -0.12 0.00 -1.73 0.00 0.00 68.15 69.00 1aaf h THR 50 CO 0.61 0.15 -0.70 -1.84 -0.25 0.00 0.00 175.52 173.49 1aaf n GLU 51 N -3.49 -2.78 0.00 4.72 -0.00 -1.26 -5.02 120.64 112.82 1aaf n GLU 51 Ca -0.01 1.99 0.00 0.00 -0.00 0.00 0.00 57.16 59.14 1aaf n GLU 51 Cb 0.32 -3.37 0.00 0.00 -0.00 0.00 0.00 31.44 28.38 1aaf n GLU 51 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1aaf n ARG 52 N -4.02 0.00 -1.23 3.44 -4.01 -1.26 -5.06 116.66 104.53 1aaf n ARG 52 Ca -0.02 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.49 1aaf n ARG 52 Cb 0.66 0.00 0.09 0.00 -3.04 0.00 0.00 32.46 30.17 1aaf n ARG 52 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 1aaf n GLN 53 N 0.00 2.45 -2.78 2.89 -0.06 -1.26 -4.92 117.38 113.70 1aaf n GLN 53 Ca 0.00 -2.94 -0.40 0.00 -2.00 0.00 0.00 57.00 51.66 1aaf n GLN 53 Cb 0.00 -2.15 -0.06 0.00 -4.06 0.00 0.00 30.24 23.97 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aaf s ALA 54 N -3.38 3.33 -2.00 1.69 0.00 -1.26 -5.34 121.76 114.81 1aaf s ALA 54 Ca 0.58 0.57 0.15 0.00 0.00 0.00 0.00 51.96 53.25 1aaf s ALA 54 Cb 0.46 -3.19 0.90 0.00 0.00 0.00 0.00 23.12 21.29 1aaf s ALA 54 CO 0.01 0.17 1.31 -1.71 0.00 0.00 0.00 175.76 175.54