#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 0.57 0.01 0.03 1.13 -1.26 -5.01 117.38 112.85 1aaf n GLN 2 Ca 0.00 -0.74 -0.00 0.00 -1.94 0.00 0.00 57.00 54.32 1aaf n GLN 2 Cb 0.00 0.36 -0.00 0.00 0.11 0.00 0.00 30.24 30.71 1aaf n GLN 2 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1aaf n ARG 3 N -0.65 0.02 0.00 -1.09 3.00 -1.26 -5.14 116.66 111.53 1aaf n ARG 3 Ca -0.14 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1aaf n ARG 3 Cb 0.67 -0.20 0.00 0.00 0.00 0.00 0.00 32.46 32.94 1aaf n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aaf n GLY 4 N 3.23 2.39 1.17 5.14 0.00 -1.26 -5.16 105.19 110.70 1aaf n GLY 4 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.48 0.00 1.61 4.13 -1.26 -4.99 115.26 108.27 1aaf n ASN 5 Ca 0.00 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.35 1aaf n ASN 5 Cb 0.00 -3.36 0.00 0.00 -1.54 0.00 0.00 39.78 34.88 1aaf n ASN 5 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1aaf n PHE 6 N -1.43 0.00 -4.05 3.10 3.72 -1.26 -5.09 117.46 112.45 1aaf n PHE 6 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1aaf n PHE 6 Cb 0.13 -0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1aaf n PHE 6 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1aaf s ARG 7 N -0.77 1.72 -0.21 -1.08 1.81 -1.26 -5.08 118.95 114.09 1aaf s ARG 7 Ca 0.00 -1.52 -0.16 0.00 -1.72 0.00 0.00 55.73 52.33 1aaf s ARG 7 Cb 0.00 0.45 -0.10 0.00 -0.45 0.00 0.00 34.95 34.85 1aaf s ARG 7 CO 0.00 -0.71 -0.19 -1.71 -0.68 0.00 0.00 175.30 172.01 1aaf n ASN 8 N -0.90 1.90 -3.15 0.23 4.05 -1.26 -4.99 115.26 111.15 1aaf n ASN 8 Ca -0.01 0.42 0.04 0.00 0.45 0.00 0.00 54.58 55.48 1aaf n ASN 8 Cb 0.62 -0.84 -0.00 0.00 1.23 0.00 0.00 39.78 40.79 1aaf n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aaf s GLN 9 N -2.52 0.53 0.00 1.20 -2.07 -1.26 -5.11 119.66 110.43 1aaf s GLN 9 Ca -0.29 0.44 0.00 0.00 -1.82 0.00 0.00 55.36 53.69 1aaf s GLN 9 Cb 0.07 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1aaf s GLN 9 CO 0.44 -0.97 0.00 2.89 -1.32 0.00 0.00 175.29 176.33 1aaf n ARG 10 N 5.30 -1.30 -1.83 9.60 1.85 -1.26 -4.90 116.66 124.11 1aaf n ARG 10 Ca 0.06 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.53 1aaf n ARG 10 Cb 0.55 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.00 1aaf n ARG 10 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1aaf s LYS 11 N -2.67 3.13 0.11 2.89 2.47 -1.26 -4.84 119.74 119.58 1aaf s LYS 11 Ca 0.00 2.16 -0.31 0.00 -1.56 0.00 0.00 55.97 56.26 1aaf s LYS 11 Cb 0.00 -2.22 -0.07 0.00 -1.46 0.00 0.00 37.83 34.08 1aaf s LYS 11 CO 0.00 -1.17 1.28 0.42 0.16 0.00 0.00 175.35 176.05 1aaf s ILE 12 N -1.35 3.61 -0.30 5.43 1.01 -1.26 -4.31 121.20 124.04 1aaf s ILE 12 Ca 0.72 1.19 -0.12 0.00 0.00 0.00 0.00 60.65 62.45 1aaf s ILE 12 Cb -0.39 -3.76 0.18 0.00 0.01 0.00 0.00 42.46 38.50 1aaf s ILE 12 CO 0.45 0.11 0.99 -0.51 0.00 0.00 0.00 174.94 175.98 1aaf s ILE 13 N 0.86 -0.44 -0.48 2.92 1.10 -1.26 -4.90 121.20 119.00 1aaf s ILE 13 Ca 0.60 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 60.47 1aaf s ILE 13 Cb -0.33 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.31 1aaf s ILE 13 CO 0.31 0.00 1.06 -1.59 -2.11 0.00 0.00 174.94 172.61 1aaf s LYS 14 N 2.85 3.64 0.09 3.50 0.00 -1.26 -0.28 119.74 128.27 1aaf s LYS 14 Ca 0.02 0.39 -0.31 0.00 0.00 0.00 0.00 55.97 56.07 1aaf s LYS 14 Cb -0.10 -3.92 -0.09 0.00 0.00 0.00 0.00 37.83 33.72 1aaf s LYS 14 CO -0.13 -1.34 1.72 0.00 0.00 0.00 0.00 175.35 175.60 1aaf h PHE 16 N 8.48 0.00 0.00 0.00 0.04 -1.88 -1.03 116.94 122.55 1aaf h PHE 16 Ca -0.44 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.14 1aaf h PHE 16 Cb 1.21 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 1aaf h PHE 16 CO 0.79 0.03 -1.43 -1.71 -0.60 0.00 0.00 178.31 175.39 1aaf n ASN 17 N -3.18 1.90 0.02 2.17 5.15 -1.26 -4.49 115.26 115.57 1aaf n ASN 17 Ca -0.00 0.42 -0.03 0.00 -0.60 0.00 0.00 54.58 54.36 1aaf n ASN 17 Cb 0.26 -0.84 -0.10 0.00 -0.53 0.00 0.00 39.78 38.56 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 1.45 2.40 3.76 0.00 0.00 -0.39 -4.97 105.19 107.44 1aaf n GLY 19 Ca -0.12 -0.17 -0.37 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 3.28 0.64 1.61 1.02 -1.26 -4.47 119.74 120.57 1aaf s LYS 20 Ca 0.00 1.96 -0.11 0.00 0.02 0.00 0.00 55.97 57.84 1aaf s LYS 20 Cb 0.00 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.09 1aaf s LYS 20 CO 0.00 -0.99 1.04 -1.83 -0.92 0.00 0.00 175.35 172.65 1aaf s GLU 21 N -2.98 3.41 0.00 1.68 1.03 -1.26 -1.73 118.70 118.85 1aaf s GLU 21 Ca 0.71 0.81 0.00 0.00 0.03 0.00 0.00 54.97 56.52 1aaf s GLU 21 Cb -0.33 -2.05 0.00 0.00 -0.80 0.00 0.00 34.13 30.94 1aaf s GLU 21 CO 0.39 -0.72 0.00 0.41 -1.33 0.00 0.00 175.26 174.00 1aaf n GLY 22 N -2.53 3.46 2.34 -3.83 0.00 0.61 -4.90 105.19 100.35 1aaf n GLY 22 Ca 0.06 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1aaf n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aaf n HIS 23 N 0.00 0.56 -4.45 1.61 1.44 -1.25 -4.72 115.22 108.42 1aaf n HIS 23 Ca 0.00 -1.59 -0.22 0.00 -2.01 0.00 0.00 57.72 53.90 1aaf n HIS 23 Cb 0.00 -0.22 -0.10 0.00 0.12 0.00 0.00 29.99 29.78 1aaf n HIS 23 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1aaf s ILE 24 N -2.12 1.55 -0.19 0.61 -4.36 -1.26 -2.70 121.20 112.72 1aaf s ILE 24 Ca 0.02 -2.08 0.17 0.00 -0.26 0.00 0.00 60.65 58.50 1aaf s ILE 24 Cb -0.00 -2.57 0.12 0.00 1.25 0.00 0.00 42.46 41.26 1aaf s ILE 24 CO 0.01 -0.21 1.49 0.00 0.24 0.00 0.00 174.94 176.48 1aaf h ALA 25 N 2.21 0.75 0.00 2.27 0.00 -1.92 -1.11 119.26 121.46 1aaf h ALA 25 Ca -0.40 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1aaf h ALA 25 Cb 1.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1aaf h ALA 25 CO 0.69 0.50 -0.01 0.87 0.00 0.00 0.00 179.25 181.30 1aaf h LYS 26 N 0.00 0.00 -0.03 0.00 1.79 -2.02 -2.06 116.57 114.26 1aaf h LYS 26 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1aaf h LYS 26 Cb 1.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 1aaf h LYS 26 CO 0.05 0.01 -0.51 0.09 -1.08 0.00 0.00 179.45 178.00 1aaf n ASN 27 N -3.47 1.82 -4.45 0.86 5.03 -0.43 -5.03 115.26 109.59 1aaf n ASN 27 Ca -0.03 -3.89 -0.35 0.00 0.87 0.00 0.00 54.58 51.18 1aaf n ASN 27 Cb 0.09 -0.52 -0.12 0.00 -1.02 0.00 0.00 39.78 38.20 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1aaf n ARG 29 N 4.46 3.45 -1.71 0.00 0.63 -1.26 -5.04 116.66 117.18 1aaf n ARG 29 Ca -0.17 -4.16 -0.37 0.00 -0.92 0.00 0.00 57.85 52.23 1aaf n ARG 29 Cb 0.52 -2.22 0.06 0.00 0.45 0.00 0.00 32.46 31.27 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aaf n ALA 30 N -0.67 1.09 -1.03 5.13 0.00 -1.26 -5.05 120.51 118.72 1aaf n ALA 30 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1aaf n ALA 30 Cb 0.92 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.56 2.70 -3.53 0.00 -0.04 -1.26 -5.00 135.00 126.32 1aaf n PRO 31 Ca 0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.21 1aaf n PRO 31 Cb 0.47 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.89 1aaf n PRO 31 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1aaf s ARG 32 N 0.11 3.57 -0.43 0.54 1.81 -1.26 -4.89 118.95 118.40 1aaf s ARG 32 Ca 0.00 -3.18 0.04 0.00 -1.72 0.00 0.00 55.73 50.87 1aaf s ARG 32 Cb 0.00 -4.17 0.64 0.00 -0.45 0.00 0.00 34.95 30.97 1aaf s ARG 32 CO 0.00 -1.25 1.88 1.17 -0.68 0.00 0.00 175.30 176.41 1aaf n LYS 33 N 2.61 2.23 -3.29 3.54 4.81 -1.26 -4.45 118.16 122.35 1aaf n LYS 33 Ca 0.21 -2.88 -0.23 0.00 -0.87 0.00 0.00 58.31 54.54 1aaf n LYS 33 Cb 0.38 -2.13 -0.08 0.00 0.02 0.00 0.00 35.03 33.22 1aaf n LYS 33 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1aaf n ARG 34 N -1.06 0.24 -3.98 1.64 3.00 -1.26 -5.12 116.66 110.13 1aaf n ARG 34 Ca 0.57 -2.99 -0.13 0.00 -0.00 0.00 0.00 57.85 55.30 1aaf n ARG 34 Cb 1.62 -1.63 -0.01 0.00 0.00 0.00 0.00 32.46 32.44 1aaf n ARG 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1aaf s GLY 35 N 0.18 1.14 -0.15 5.14 0.00 -1.26 -4.82 107.32 107.56 1aaf s GLY 35 Ca 0.33 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1aaf s GLY 35 CO -0.18 -0.75 -0.04 0.00 0.00 0.00 0.00 173.10 172.14 1aaf h TRP 37 N 6.51 0.16 0.53 0.00 7.01 -1.91 0.18 115.95 128.43 1aaf h TRP 37 Ca -0.33 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 60.55 1aaf h TRP 37 Cb 1.19 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 28.24 1aaf h TRP 37 CO 0.54 0.96 -0.26 -0.22 -2.79 0.00 0.00 178.44 176.67 1aaf h LYS 38 N 0.05 -0.69 0.00 2.65 1.63 -1.96 -3.41 116.57 114.84 1aaf h LYS 38 Ca -0.03 0.05 -0.38 0.00 -0.85 0.00 0.00 60.65 59.43 1aaf h LYS 38 Cb 1.58 0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 33.30 1aaf h LYS 38 CO 0.13 -0.46 -2.45 0.00 -3.45 0.00 0.00 179.45 173.22 1aaf n GLY 40 N 2.16 1.58 3.64 0.00 0.00 0.62 -5.04 105.19 108.15 1aaf n GLY 40 Ca -0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.06 -0.41 -0.25 1.61 -0.14 -1.26 -4.14 119.74 115.10 1aaf s LYS 41 Ca 0.00 0.20 -0.00 0.00 -1.36 0.00 0.00 55.97 54.81 1aaf s LYS 41 Cb 0.00 -1.67 0.07 0.00 -1.68 0.00 0.00 37.83 34.55 1aaf s LYS 41 CO 0.00 -3.22 0.00 -1.83 -0.76 0.00 0.00 175.35 169.54 1aaf s GLU 42 N -5.20 1.21 0.00 1.68 1.03 -1.26 -0.26 118.70 115.90 1aaf s GLU 42 Ca 0.68 -0.93 0.00 0.00 0.03 0.00 0.00 54.97 54.75 1aaf s GLU 42 Cb -0.14 -2.41 0.00 0.00 -0.80 0.00 0.00 34.13 30.78 1aaf s GLU 42 CO 0.57 -0.70 0.00 0.41 -1.33 0.00 0.00 175.26 174.20 1aaf n GLY 43 N 4.77 -0.52 3.89 -3.83 0.00 -1.26 -5.05 105.19 103.18 1aaf n GLY 43 Ca -0.08 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 2.96 0.43 1.61 -3.43 -1.26 -5.11 115.29 110.48 1aaf s HIS 44 Ca 0.00 -0.28 0.08 0.00 -0.80 0.00 0.00 55.06 54.06 1aaf s HIS 44 Cb 0.00 -1.85 -0.02 0.00 -1.43 0.00 0.00 32.58 29.28 1aaf s HIS 44 CO 0.00 0.13 0.37 -0.65 -2.00 0.00 0.00 174.74 172.59 1aaf s GLN 45 N -4.04 2.48 0.35 -0.38 -0.21 -1.26 -4.21 119.66 112.39 1aaf s GLN 45 Ca 0.42 -1.59 0.04 0.00 0.02 0.00 0.00 55.36 54.24 1aaf s GLN 45 Cb -0.07 -2.33 0.66 0.00 1.00 0.00 0.00 33.01 32.27 1aaf s GLN 45 CO 0.28 -0.22 1.96 1.98 -2.12 0.00 0.00 175.29 177.16 1aaf h MET 46 N 1.03 0.65 0.00 2.91 4.05 -1.97 0.16 114.93 121.77 1aaf h MET 46 Ca -0.41 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 1aaf h MET 46 Cb 1.27 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1aaf h MET 46 CO 0.58 0.52 -0.03 0.87 0.23 0.00 0.00 176.91 179.08 1aaf h LYS 47 N 0.65 0.00 0.00 0.39 6.56 -2.02 -1.11 116.57 121.05 1aaf h LYS 47 Ca 0.16 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.74 1aaf h LYS 47 Cb 0.09 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 1aaf h LYS 47 CO -0.02 0.03 -0.34 -0.25 -2.06 0.00 0.00 179.45 176.81 1aaf n ASP 48 N -3.35 1.75 -4.71 0.86 8.00 0.31 -5.01 116.55 114.40 1aaf n ASP 48 Ca -0.02 -3.22 -0.42 0.00 0.71 0.00 0.00 54.79 51.84 1aaf n ASP 48 Cb 0.16 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aaf n THR 50 N 4.11 1.62 -1.23 0.00 -1.04 -1.26 -4.76 114.28 111.72 1aaf n THR 50 Ca 0.09 -2.34 -0.05 0.00 -2.04 0.00 0.00 64.05 59.72 1aaf n THR 50 Cb 0.46 -0.02 0.23 0.00 -1.82 0.00 0.00 70.33 69.19 1aaf n THR 50 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1aaf n GLU 51 N -0.92 2.56 0.00 -2.82 -0.58 -1.26 -4.62 120.64 113.00 1aaf n GLU 51 Ca 0.15 -3.06 0.00 0.00 -0.42 0.00 0.00 57.16 53.82 1aaf n GLU 51 Cb 0.73 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1aaf n GLU 51 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1aaf n ARG 52 N -0.78 0.00 -4.36 3.49 5.12 -1.26 -5.01 116.66 113.86 1aaf n ARG 52 Ca 0.37 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 56.02 1aaf n ARG 52 Cb 1.19 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 32.38 1aaf n ARG 52 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1aaf s GLN 53 N 0.00 1.75 0.04 5.56 0.00 -1.26 -5.05 119.66 120.70 1aaf s GLN 53 Ca 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 55.36 53.97 1aaf s GLN 53 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 33.01 31.02 1aaf s GLN 53 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 175.29 175.71 1aaf n ALA 54 N 0.22 3.00 -1.94 2.60 0.00 -1.26 -4.99 120.51 118.15 1aaf n ALA 54 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1aaf n ALA 54 Cb 0.55 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1aaf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79