#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 0.00 0.00 0.03 10.64 -1.26 -4.93 117.38 121.86 1aaf n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1aaf n GLN 2 Cb 0.00 -0.58 0.00 0.00 -0.86 0.00 0.00 30.24 28.80 1aaf n GLN 2 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1aaf n ARG 3 N -0.13 0.00 0.00 2.61 5.12 -1.26 -4.68 116.66 118.32 1aaf n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1aaf n ARG 3 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 0.00 0.58 5.41 -0.13 0.00 -1.26 -5.00 105.19 104.79 1aaf n GLY 4 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.17 -3.47 1.61 5.03 -1.26 -4.84 115.26 106.15 1aaf n ASN 5 Ca 0.00 0.41 -0.11 0.00 0.87 0.00 0.00 54.58 55.75 1aaf n ASN 5 Cb 0.00 -1.14 -0.10 0.00 -1.02 0.00 0.00 39.78 37.52 1aaf n ASN 5 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1aaf s PHE 6 N -0.60 -0.68 0.00 3.10 -0.71 -1.26 -4.95 117.98 112.88 1aaf s PHE 6 Ca 0.00 0.89 0.00 0.00 -1.04 0.00 0.00 56.93 56.78 1aaf s PHE 6 Cb 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.82 1aaf s PHE 6 CO 0.00 -0.61 0.00 -2.13 -1.34 0.00 0.00 175.22 171.14 1aaf n ARG 7 N 5.36 0.00 -4.00 1.99 0.63 -1.26 -5.12 116.66 114.26 1aaf n ARG 7 Ca -0.05 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.57 1aaf n ARG 7 Cb 0.50 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.25 1aaf n ARG 7 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1aaf s ASN 8 N -0.68 3.34 -0.26 6.15 3.84 -1.26 -5.10 114.94 120.98 1aaf s ASN 8 Ca 0.00 -0.86 -0.21 0.00 0.21 0.00 0.00 52.86 52.00 1aaf s ASN 8 Cb 0.00 -1.23 0.07 0.00 -0.55 0.00 0.00 41.25 39.54 1aaf s ASN 8 CO 0.00 -0.14 0.67 0.00 -2.79 0.00 0.00 177.10 174.84 1aaf s GLN 9 N 1.41 0.75 -0.48 0.43 1.03 -1.26 -5.09 119.66 116.44 1aaf s GLN 9 Ca -0.01 1.01 0.03 0.00 0.04 0.00 0.00 55.36 56.43 1aaf s GLN 9 Cb -0.16 0.31 0.15 0.00 0.03 0.00 0.00 33.01 33.34 1aaf s GLN 9 CO -0.08 -0.11 0.32 1.03 -2.54 0.00 0.00 175.29 173.91 1aaf s ARG 10 N 0.72 1.38 0.01 9.60 0.52 -1.26 -5.08 118.95 124.84 1aaf s ARG 10 Ca -0.03 -2.28 -0.15 0.00 -0.52 0.00 0.00 55.73 52.75 1aaf s ARG 10 Cb -0.05 -2.24 0.02 0.00 0.52 0.00 0.00 34.95 33.20 1aaf s ARG 10 CO -0.05 -1.26 0.32 0.15 0.02 0.00 0.00 175.30 174.48 1aaf s LYS 11 N -0.07 0.73 -0.46 3.54 -0.14 -1.26 -5.06 119.74 117.02 1aaf s LYS 11 Ca 0.24 -0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.58 1aaf s LYS 11 Cb -0.12 0.32 0.59 0.00 -1.68 0.00 0.00 37.83 36.94 1aaf s LYS 11 CO -0.09 -0.22 1.89 -0.89 -0.76 0.00 0.00 175.35 175.29 1aaf n ILE 12 N 1.01 3.15 -3.05 2.17 -0.00 -1.26 -4.94 119.36 116.44 1aaf n ILE 12 Ca -0.20 -1.97 -0.43 0.00 -0.00 0.00 0.00 62.75 60.15 1aaf n ILE 12 Cb 0.57 -0.62 -0.06 0.00 -0.00 0.00 0.00 39.64 39.53 1aaf n ILE 12 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 1aaf s ILE 13 N -3.34 4.75 0.00 1.39 -4.36 -1.26 -4.91 121.20 113.47 1aaf s ILE 13 Ca 0.55 0.22 0.00 0.00 -0.26 0.00 0.00 60.65 61.16 1aaf s ILE 13 Cb 0.45 -4.26 0.00 0.00 1.25 0.00 0.00 42.46 39.91 1aaf s ILE 13 CO 0.08 -0.66 0.00 2.29 0.24 0.00 0.00 174.94 176.90 1aaf n LYS 14 N 6.45 0.00 -1.81 0.37 2.85 -1.26 -4.83 118.16 119.93 1aaf n LYS 14 Ca -0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1aaf n LYS 14 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1aaf h PHE 16 N 9.62 0.00 0.00 0.00 0.04 -1.87 -0.94 116.94 123.79 1aaf h PHE 16 Ca -0.45 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.09 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 0.88 0.00 -1.43 -1.71 -0.60 0.00 0.00 178.31 175.45 1aaf n ASN 17 N -2.91 1.88 0.01 2.17 5.15 -1.26 -4.53 115.26 115.78 1aaf n ASN 17 Ca 0.01 0.43 -0.21 0.00 -0.60 0.00 0.00 54.58 54.21 1aaf n ASN 17 Cb 0.27 -0.89 -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 1.97 3.67 3.66 0.00 0.00 -0.36 -5.10 105.19 109.04 1aaf n GLY 19 Ca -0.31 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 0.89 -0.42 1.61 -0.14 -1.26 -4.15 119.74 116.28 1aaf s LYS 20 Ca 0.00 1.44 0.07 0.00 -1.36 0.00 0.00 55.97 56.12 1aaf s LYS 20 Cb 0.00 -1.72 0.43 0.00 -1.68 0.00 0.00 37.83 34.86 1aaf s LYS 20 CO 0.00 -2.68 1.09 -0.85 -0.76 0.00 0.00 175.35 172.15 1aaf n GLU 21 N -4.26 3.13 -0.03 1.68 -0.00 -1.26 0.31 120.64 120.21 1aaf n GLU 21 Ca 0.11 -4.33 0.02 0.00 -0.00 0.00 0.00 57.16 52.96 1aaf n GLU 21 Cb 0.52 -2.11 -0.10 0.00 -0.00 0.00 0.00 31.44 29.74 1aaf n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aaf n GLY 22 N -0.43 -0.63 3.54 -1.84 0.00 -1.26 -4.85 105.19 99.71 1aaf n GLY 22 Ca 0.35 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.70 0.53 0.37 1.61 -3.43 -1.26 -5.08 115.29 105.33 1aaf s HIS 23 Ca -0.06 -0.87 0.07 0.00 -0.80 0.00 0.00 55.06 53.41 1aaf s HIS 23 Cb 0.07 0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.29 1aaf s HIS 23 CO 0.55 -0.98 0.46 0.96 -2.00 0.00 0.00 174.74 173.73 1aaf s ILE 24 N -3.90 3.41 -0.23 -5.38 -4.36 -1.26 -3.17 121.20 106.32 1aaf s ILE 24 Ca 0.25 -1.12 0.21 0.00 -0.26 0.00 0.00 60.65 59.73 1aaf s ILE 24 Cb 0.00 -3.17 0.00 0.00 1.25 0.00 0.00 42.46 40.54 1aaf s ILE 24 CO 0.11 -0.09 1.06 0.00 0.24 0.00 0.00 174.94 176.26 1aaf h ALA 25 N 0.90 0.58 0.00 2.27 0.00 -1.92 -1.40 119.26 119.68 1aaf h ALA 25 Ca -0.43 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1aaf h ALA 25 Cb 1.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1aaf h ALA 25 CO 0.52 0.20 -0.32 -0.22 0.00 0.00 0.00 179.25 179.42 1aaf h LYS 26 N 0.00 0.00 0.00 0.00 1.63 -2.03 0.32 116.57 116.49 1aaf h LYS 26 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1aaf h LYS 26 Cb 1.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1aaf h LYS 26 CO 0.01 0.32 0.00 -0.97 -3.45 0.00 0.00 179.45 175.37 1aaf h ASN 27 N 0.00 0.00 -3.30 4.20 -1.24 -1.69 -3.46 115.58 110.09 1aaf h ASN 27 Ca -0.00 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 56.37 1aaf h ASN 27 Cb 0.64 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.54 1aaf h ASN 27 CO 0.04 0.00 0.35 0.00 -1.29 0.00 0.00 177.43 176.53 1aaf n ARG 29 N 6.89 4.85 -1.73 0.00 0.00 -1.26 -4.96 116.66 120.44 1aaf n ARG 29 Ca -0.01 -4.68 -0.42 0.00 -0.00 0.00 0.00 57.85 52.74 1aaf n ARG 29 Cb 0.47 -2.43 -0.03 0.00 0.00 0.00 0.00 32.46 30.47 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 -3.88 3.90 0.81 5.13 0.00 -1.26 -4.88 121.76 121.59 1aaf s ALA 30 Ca 0.39 1.59 -0.11 0.00 0.00 0.00 0.00 51.96 53.83 1aaf s ALA 30 Cb 0.18 -3.69 0.08 0.00 0.00 0.00 0.00 23.12 19.69 1aaf s ALA 30 CO -0.09 -0.94 1.13 -1.25 0.00 0.00 0.00 175.76 174.62 1aaf s PRO 31 N 0.80 1.80 0.00 0.00 0.04 -1.26 -5.04 135.00 131.34 1aaf s PRO 31 Ca 0.72 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1aaf s PRO 31 Cb -0.49 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1aaf s PRO 31 CO 0.36 -2.03 0.00 -2.13 0.04 0.00 0.00 177.00 173.23 1aaf n ARG 32 N -3.58 0.00 0.00 4.56 0.00 -1.26 -5.17 116.66 111.22 1aaf n ARG 32 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1aaf n ARG 32 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1aaf n ARG 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1aaf n LYS 33 N -0.05 0.00 -0.95 -0.14 4.81 -1.26 -5.05 118.16 115.52 1aaf n LYS 33 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1aaf n LYS 33 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -0.83 -2.56 0.00 1.64 0.63 -1.26 -4.99 116.66 109.29 1aaf n ARG 34 Ca 0.00 1.97 0.00 0.00 -0.92 0.00 0.00 57.85 58.90 1aaf n ARG 34 Cb 0.00 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 30.52 1aaf n ARG 34 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aaf n GLY 35 N -1.86 -1.89 3.70 5.14 0.00 -0.91 -4.51 105.19 104.86 1aaf n GLY 35 Ca 0.00 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.25 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 8.25 0.06 0.00 0.00 4.06 -1.91 -1.49 115.95 124.91 1aaf h TRP 37 Ca -0.45 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1aaf h TRP 37 Cb 1.21 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1aaf h TRP 37 CO 0.76 0.08 -0.00 -0.22 -3.56 0.00 0.00 178.44 175.51 1aaf h LYS 38 N 0.06 0.00 0.00 0.49 3.64 -1.95 -3.44 116.57 115.38 1aaf h LYS 38 Ca 0.02 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.10 1aaf h LYS 38 Cb 0.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1aaf h LYS 38 CO 0.00 0.00 -1.70 0.00 -2.27 0.00 0.00 179.45 175.49 1aaf n GLY 40 N 1.56 1.45 3.91 0.00 0.00 -0.56 -5.04 105.19 106.51 1aaf n GLY 40 Ca -0.17 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.96 2.20 -0.59 1.61 -0.14 -1.26 -4.17 119.74 115.44 1aaf s LYS 41 Ca 0.00 0.01 0.01 0.00 -1.36 0.00 0.00 55.97 54.64 1aaf s LYS 41 Cb 0.00 -2.06 0.42 0.00 -1.68 0.00 0.00 37.83 34.51 1aaf s LYS 41 CO 0.00 -1.35 1.65 -1.91 -0.76 0.00 0.00 175.35 172.97 1aaf n GLU 42 N -3.10 3.07 0.00 1.68 0.00 -1.26 -1.29 120.64 119.74 1aaf n GLU 42 Ca 0.08 -3.82 0.00 0.00 0.00 0.00 0.00 57.16 53.42 1aaf n GLU 42 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aaf n GLY 43 N -0.67 -0.23 3.63 8.31 0.00 -1.26 -4.95 105.19 110.02 1aaf n GLY 43 Ca 0.51 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -1.93 -3.56 1.61 1.44 -1.26 -5.02 115.22 106.51 1aaf n HIS 44 Ca 0.00 -1.56 0.00 0.00 -2.01 0.00 0.00 57.72 54.15 1aaf n HIS 44 Cb 0.00 0.77 0.00 0.00 0.12 0.00 0.00 29.99 30.88 1aaf n HIS 44 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1aaf n GLN 45 N -0.58 2.48 -0.13 -1.40 7.27 -1.26 -3.81 117.38 119.95 1aaf n GLN 45 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.00 1aaf n GLN 45 Cb 0.56 0.00 0.24 0.00 2.41 0.00 0.00 30.24 33.45 1aaf n GLN 45 CO 0.00 0.00 0.00 1.98 0.07 0.00 0.00 177.06 179.11 1aaf h MET 46 N 0.00 0.81 0.00 3.69 -1.53 -1.97 0.90 114.93 116.83 1aaf h MET 46 Ca 0.00 -0.12 -0.04 0.00 -3.44 0.00 0.00 59.70 56.09 1aaf h MET 46 Cb 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 30.90 1aaf h MET 46 CO 0.00 0.67 -0.21 1.57 0.14 0.00 0.00 176.91 179.08 1aaf h LYS 47 N 0.80 0.00 -0.01 0.39 2.10 -1.96 -1.92 116.57 115.98 1aaf h LYS 47 Ca 0.19 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1aaf h LYS 47 Cb 0.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1aaf h LYS 47 CO -0.02 0.21 -0.26 -0.25 -2.00 0.00 0.00 179.45 177.13 1aaf n ASP 48 N -4.23 2.03 -4.77 7.07 9.92 0.10 -5.03 116.55 121.65 1aaf n ASP 48 Ca -0.02 -3.53 -0.35 0.00 -0.53 0.00 0.00 54.79 50.36 1aaf n ASP 48 Cb 0.27 -0.49 0.01 0.00 -0.64 0.00 0.00 41.12 40.27 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aaf h THR 50 N 1.16 0.00 0.00 0.00 2.02 -1.89 -2.74 112.91 111.46 1aaf h THR 50 Ca -0.50 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.04 1aaf h THR 50 Cb 1.27 0.70 0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1aaf h THR 50 CO 0.57 0.00 2.63 -0.62 0.37 0.00 0.00 175.52 178.47 1aaf n GLU 51 N -2.67 2.03 -3.62 6.66 -0.58 -1.26 -4.74 120.64 116.46 1aaf n GLU 51 Ca -0.02 -2.03 -0.05 0.00 -0.42 0.00 0.00 57.16 54.64 1aaf n GLU 51 Cb 0.13 -2.97 -0.04 0.00 -0.57 0.00 0.00 31.44 27.99 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 4.22 0.24 0.00 3.49 3.52 -1.04 -4.95 118.95 124.44 1aaf s ARG 52 Ca 0.53 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1aaf s ARG 52 Cb 0.14 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 1aaf s ARG 52 CO 0.04 -0.08 0.00 0.94 -0.81 0.00 0.00 175.30 175.38 1aaf n GLN 53 N 0.45 0.00 0.00 5.12 -0.06 -1.26 -5.05 117.38 116.58 1aaf n GLN 53 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1aaf n GLN 53 Cb 0.58 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.76 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aaf n ALA 54 N -1.18 0.00 -1.20 1.69 0.00 -1.26 -5.26 120.51 113.30 1aaf n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1aaf n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1aaf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79