#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 1.71 -4.65 0.03 10.64 -1.26 -4.94 117.38 118.92 1aaf n GLN 2 Ca 0.00 -3.16 -0.24 0.00 -1.83 0.00 0.00 57.00 51.77 1aaf n GLN 2 Cb 0.00 -1.69 -0.16 0.00 -0.86 0.00 0.00 30.24 27.53 1aaf n GLN 2 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1aaf s ARG 3 N -3.18 1.56 0.00 2.61 0.52 -1.26 -5.10 118.95 114.10 1aaf s ARG 3 Ca 0.40 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 1aaf s ARG 3 Cb 0.37 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.50 1aaf s ARG 3 CO -0.03 0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.84 1aaf n GLY 4 N 3.40 0.24 2.36 -3.53 0.00 -1.26 -5.10 105.19 101.29 1aaf n GLY 4 Ca -0.20 0.70 -0.03 0.00 0.00 0.00 0.00 46.02 46.50 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 -6.00 -3.90 1.61 3.02 -1.26 -5.07 115.26 103.66 1aaf n ASN 5 Ca 0.00 0.64 -0.09 0.00 -0.03 0.00 0.00 54.58 55.10 1aaf n ASN 5 Cb 0.00 -3.92 -0.09 0.00 -0.61 0.00 0.00 39.78 35.17 1aaf n ASN 5 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1aaf s PHE 6 N -1.61 0.18 0.22 3.10 -0.71 -1.26 -5.14 117.98 112.75 1aaf s PHE 6 Ca 0.09 -0.52 -0.30 0.00 -1.04 0.00 0.00 56.93 55.16 1aaf s PHE 6 Cb -0.02 -0.11 -0.08 0.00 -1.21 0.00 0.00 43.02 41.59 1aaf s PHE 6 CO 0.52 -0.44 0.98 0.50 -1.34 0.00 0.00 175.22 175.44 1aaf s ARG 7 N -3.08 4.78 0.91 1.99 3.00 -1.26 -5.03 118.95 120.26 1aaf s ARG 7 Ca -0.01 1.54 -0.14 0.00 -1.00 0.00 0.00 55.73 56.12 1aaf s ARG 7 Cb 0.01 -3.29 0.17 0.00 0.00 0.00 0.00 34.95 31.85 1aaf s ARG 7 CO -0.07 0.39 1.26 0.54 0.00 0.00 0.00 175.30 177.42 1aaf s ASN 8 N -0.83 3.49 0.00 -2.12 4.22 -1.26 -5.08 114.94 113.36 1aaf s ASN 8 Ca 0.43 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 51.46 1aaf s ASN 8 Cb -0.27 -0.46 0.00 0.00 1.28 0.00 0.00 41.25 41.80 1aaf s ASN 8 CO 0.33 -2.50 0.00 0.00 -2.04 0.00 0.00 177.10 172.89 1aaf n GLN 9 N -3.60 0.00 -1.36 3.55 6.02 -1.26 -5.13 117.38 115.60 1aaf n GLN 9 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1aaf n GLN 9 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 1aaf n GLN 9 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1aaf n ARG 10 N -0.77 -3.90 -1.30 -1.09 0.63 -1.26 -5.02 116.66 103.96 1aaf n ARG 10 Ca 0.00 2.89 0.02 0.00 -0.92 0.00 0.00 57.85 59.84 1aaf n ARG 10 Cb 0.00 -3.24 -0.01 0.00 0.45 0.00 0.00 32.46 29.66 1aaf n ARG 10 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1aaf n LYS 11 N -0.72 -3.34 -4.28 -0.14 4.76 -1.26 -5.05 118.16 108.13 1aaf n LYS 11 Ca 0.00 2.61 -0.15 0.00 -2.87 0.00 0.00 58.31 57.90 1aaf n LYS 11 Cb 0.00 -3.34 -0.10 0.00 -1.84 0.00 0.00 35.03 29.75 1aaf n LYS 11 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1aaf s ILE 12 N -5.01 0.74 0.41 -0.18 1.01 -1.26 -5.17 121.20 111.74 1aaf s ILE 12 Ca 0.00 -2.00 0.07 0.00 0.00 0.00 0.00 60.65 58.72 1aaf s ILE 12 Cb 0.00 -2.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.09 1aaf s ILE 12 CO 0.00 -0.31 0.08 -0.51 0.00 0.00 0.00 174.94 174.20 1aaf s ILE 13 N -3.62 2.11 0.20 2.92 2.07 -1.26 -5.00 121.20 118.62 1aaf s ILE 13 Ca 0.29 -1.87 0.08 0.00 -1.41 0.00 0.00 60.65 57.73 1aaf s ILE 13 Cb 0.06 -2.99 -0.04 0.00 0.13 0.00 0.00 42.46 39.63 1aaf s ILE 13 CO 0.08 0.00 0.01 -1.59 -1.91 0.00 0.00 174.94 171.52 1aaf s LYS 14 N -3.79 2.40 -0.16 3.50 -2.85 -1.26 -1.43 119.74 116.15 1aaf s LYS 14 Ca 0.37 -1.17 -0.13 0.00 -1.00 0.00 0.00 55.97 54.04 1aaf s LYS 14 Cb 0.07 -2.32 -0.05 0.00 -2.06 0.00 0.00 37.83 33.47 1aaf s LYS 14 CO 0.20 0.43 0.26 0.00 0.10 0.00 0.00 175.35 176.34 1aaf h PHE 16 N 6.55 0.00 0.00 0.00 0.04 -1.87 0.29 116.94 121.95 1aaf h PHE 16 Ca -0.42 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.05 1aaf h PHE 16 Cb 1.17 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.27 1aaf h PHE 16 CO 0.61 0.05 -1.82 -1.71 -0.60 0.00 0.00 178.31 174.84 1aaf n ASN 17 N -3.14 1.92 -0.03 2.17 5.15 -1.26 -4.48 115.26 115.59 1aaf n ASN 17 Ca 0.01 0.39 -0.10 0.00 -0.60 0.00 0.00 54.58 54.28 1aaf n ASN 17 Cb 0.39 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.64 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 1.61 2.66 3.56 0.00 0.00 0.09 -5.05 105.19 108.06 1aaf n GLY 19 Ca -0.19 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.19 -0.17 1.61 1.02 -1.26 -4.13 119.74 116.63 1aaf s LYS 20 Ca 0.00 1.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.95 1aaf s LYS 20 Cb 0.00 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.65 1aaf s LYS 20 CO 0.00 -3.28 -0.01 -1.83 -0.92 0.00 0.00 175.35 169.31 1aaf s GLU 21 N -4.57 3.71 0.00 1.68 4.04 -1.26 -0.55 118.70 121.75 1aaf s GLU 21 Ca 0.67 -0.49 0.00 0.00 0.04 0.00 0.00 54.97 55.20 1aaf s GLU 21 Cb -0.23 -3.02 0.00 0.00 0.02 0.00 0.00 34.13 30.90 1aaf s GLU 21 CO 0.62 0.18 0.00 0.41 -1.84 0.00 0.00 175.26 174.63 1aaf n GLY 22 N 3.73 1.90 3.62 -3.83 0.00 -0.51 -4.98 105.19 105.12 1aaf n GLY 22 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.90 -0.28 0.30 1.61 -3.43 -1.22 -4.94 115.29 105.43 1aaf s HIS 23 Ca 0.00 0.04 0.07 0.00 -0.80 0.00 0.00 55.06 54.37 1aaf s HIS 23 Cb 0.00 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.71 1aaf s HIS 23 CO 0.00 -0.75 0.25 0.96 -2.00 0.00 0.00 174.74 173.21 1aaf s ILE 24 N -3.33 3.92 -0.66 -5.38 -4.36 -1.26 -2.93 121.20 107.21 1aaf s ILE 24 Ca 0.08 -1.38 0.26 0.00 -0.26 0.00 0.00 60.65 59.34 1aaf s ILE 24 Cb -0.02 -3.28 0.30 0.00 1.25 0.00 0.00 42.46 40.71 1aaf s ILE 24 CO -0.04 -0.25 1.75 0.00 0.24 0.00 0.00 174.94 176.64 1aaf h ALA 25 N 1.35 1.00 0.00 2.27 0.00 -1.94 -2.12 119.26 119.82 1aaf h ALA 25 Ca -0.46 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1aaf h ALA 25 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1aaf h ALA 25 CO 0.59 0.00 -0.29 1.57 0.00 0.00 0.00 179.25 181.12 1aaf h LYS 26 N 0.00 0.00 -0.65 0.00 5.09 -2.02 0.22 116.57 119.21 1aaf h LYS 26 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.47 1aaf h LYS 26 Cb 0.77 0.00 -0.16 0.00 0.10 0.00 0.00 32.23 32.93 1aaf h LYS 26 CO 0.00 0.29 0.26 0.27 -2.09 0.00 0.00 179.45 178.18 1aaf n ASN 27 N -3.21 3.75 -4.52 7.07 0.23 -0.81 -4.95 115.26 112.82 1aaf n ASN 27 Ca 0.02 -3.47 -0.35 0.00 -0.53 0.00 0.00 54.58 50.25 1aaf n ASN 27 Cb 0.61 -0.72 -0.12 0.00 -2.08 0.00 0.00 39.78 37.48 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aaf n ARG 29 N 4.20 2.86 -1.71 0.00 1.85 -1.26 -4.99 116.66 117.60 1aaf n ARG 29 Ca -0.16 -3.97 -0.38 0.00 -1.00 0.00 0.00 57.85 52.34 1aaf n ARG 29 Cb 0.52 -2.00 0.06 0.00 -1.05 0.00 0.00 32.46 29.99 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1aaf n ALA 30 N -0.58 1.05 -1.04 2.89 0.00 -1.26 -5.04 120.51 116.53 1aaf n ALA 30 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1aaf n ALA 30 Cb 0.86 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1aaf n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1aaf n PRO 31 N -1.42 3.62 -2.46 0.00 -0.04 -1.26 -4.93 135.00 128.51 1aaf n PRO 31 Ca 0.14 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1aaf n PRO 31 Cb 0.47 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 1aaf n PRO 31 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1aaf n ARG 32 N 0.00 -1.83 -3.65 0.54 0.00 -1.26 -4.94 116.66 105.52 1aaf n ARG 32 Ca 0.00 1.74 -0.02 0.00 -0.00 0.00 0.00 57.85 59.57 1aaf n ARG 32 Cb 0.00 -4.48 -0.06 0.00 0.00 0.00 0.00 32.46 27.92 1aaf n ARG 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1aaf s LYS 33 N -2.03 0.02 0.28 -0.14 2.20 -1.26 -5.02 119.74 113.79 1aaf s LYS 33 Ca 0.16 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1aaf s LYS 33 Cb -0.04 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1aaf s LYS 33 CO 0.56 -0.00 0.00 0.54 -0.36 0.00 0.00 175.35 176.08 1aaf n ARG 34 N 1.30 -2.30 0.00 4.03 5.12 -1.26 -5.01 116.66 118.54 1aaf n ARG 34 Ca -0.08 1.55 0.00 0.00 -1.93 0.00 0.00 57.85 57.39 1aaf n ARG 34 Cb 0.57 -2.79 0.00 0.00 -1.16 0.00 0.00 32.46 29.08 1aaf n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aaf n GLY 35 N -3.59 4.13 3.30 -0.13 0.00 -1.26 -4.89 105.19 102.74 1aaf n GLY 35 Ca 0.00 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 8.07 0.00 -0.47 0.00 7.01 -1.90 -1.32 115.95 127.35 1aaf h TRP 37 Ca -0.42 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.52 1aaf h TRP 37 Cb 1.16 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 1aaf h TRP 37 CO 0.58 0.82 0.04 -0.22 -2.79 0.00 0.00 178.44 176.86 1aaf h LYS 38 N 0.00 0.80 0.00 2.65 3.11 -1.94 -3.38 116.57 117.81 1aaf h LYS 38 Ca -0.01 -0.23 -0.17 0.00 -2.81 0.00 0.00 60.65 57.43 1aaf h LYS 38 Cb 1.51 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.62 1aaf h LYS 38 CO 0.11 0.83 -1.64 0.00 -2.81 0.00 0.00 179.45 175.94 1aaf n GLY 40 N 2.80 1.91 3.19 0.00 0.00 -0.50 -5.12 105.19 107.46 1aaf n GLY 40 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1aaf n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s LYS 41 N -0.70 0.87 -0.84 1.61 3.01 -1.18 -4.94 119.74 117.57 1aaf s LYS 41 Ca 0.00 -1.04 0.01 0.00 -1.01 0.00 0.00 55.97 53.93 1aaf s LYS 41 Cb 0.00 -0.83 0.22 0.00 -1.01 0.00 0.00 37.83 36.21 1aaf s LYS 41 CO 0.00 0.18 0.79 0.39 0.51 0.00 0.00 175.35 177.21 1aaf n GLU 42 N 1.05 2.64 -0.83 1.68 1.02 -1.26 -0.57 120.64 124.37 1aaf n GLU 42 Ca -0.20 -4.52 -0.02 0.00 -0.02 0.00 0.00 57.16 52.41 1aaf n GLU 42 Cb 0.55 -2.37 -0.01 0.00 -0.02 0.00 0.00 31.44 29.59 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aaf n GLY 43 N 1.91 -0.22 0.00 0.62 0.00 -1.26 -4.96 105.19 101.28 1aaf n GLY 43 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1aaf n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aaf n HIS 44 N -0.07 0.00 -1.01 1.61 1.44 -1.26 -5.09 115.22 110.84 1aaf n HIS 44 Ca -0.07 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.33 1aaf n HIS 44 Cb 0.41 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.64 1aaf n HIS 44 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1aaf s GLN 45 N 0.00 1.68 0.57 -1.40 0.00 -1.26 -4.09 119.66 115.16 1aaf s GLN 45 Ca 0.00 1.37 0.30 0.00 -0.00 0.00 0.00 55.36 57.03 1aaf s GLN 45 Cb 0.00 -1.82 1.74 0.00 0.00 0.00 0.00 33.01 32.93 1aaf s GLN 45 CO 0.00 -2.11 2.20 0.52 0.00 0.00 0.00 175.29 175.90 1aaf h MET 46 N -1.44 0.00 0.00 9.60 2.86 -1.94 -2.16 114.93 121.86 1aaf h MET 46 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1aaf h MET 46 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1aaf h MET 46 CO 0.47 0.04 0.00 0.87 1.06 0.00 0.00 176.91 179.35 1aaf h LYS 47 N 0.00 0.00 0.00 1.72 1.57 -1.96 0.79 116.57 118.69 1aaf h LYS 47 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1aaf h LYS 47 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1aaf h LYS 47 CO 0.01 0.00 -2.05 -3.47 -0.57 0.00 0.00 179.45 173.36 1aaf n ASP 48 N -2.92 0.68 -4.67 0.86 -0.08 -0.82 -4.97 116.55 104.63 1aaf n ASP 48 Ca -0.02 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.84 1aaf n ASP 48 Cb 0.11 1.34 -0.04 0.00 2.34 0.00 0.00 41.12 44.88 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aaf n THR 50 N 4.81 0.11 -2.29 0.00 -2.24 -1.26 -4.97 114.28 108.44 1aaf n THR 50 Ca 0.06 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1aaf n THR 50 Cb 0.48 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1aaf n THR 50 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1aaf n GLU 51 N 0.03 0.00 -2.53 -0.78 2.13 -1.26 -5.08 120.64 113.15 1aaf n GLU 51 Ca 0.02 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.81 1aaf n GLU 51 Cb 0.79 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.50 1aaf n GLU 51 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1aaf n ARG 52 N 0.00 -2.30 -2.72 5.31 5.12 -1.26 -4.93 116.66 115.87 1aaf n ARG 52 Ca 0.00 2.04 -0.07 0.00 -1.93 0.00 0.00 57.85 57.89 1aaf n ARG 52 Cb 0.00 -4.69 0.06 0.00 -1.16 0.00 0.00 32.46 26.67 1aaf n ARG 52 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1aaf n GLN 53 N 0.06 0.59 -0.72 5.56 1.13 -1.26 -4.91 117.38 117.83 1aaf n GLN 53 Ca 0.05 -1.42 0.05 0.00 -1.94 0.00 0.00 57.00 53.74 1aaf n GLN 53 Cb 0.20 -1.06 0.09 0.00 0.11 0.00 0.00 30.24 29.58 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 1.50 2.58 -0.61 -1.58 0.00 -1.26 -5.28 120.51 115.87 1aaf n ALA 54 Ca 0.06 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.18 1aaf n ALA 54 Cb 0.66 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1aaf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79