#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 2.33 -1.56 0.03 -2.07 -1.26 -4.16 119.66 112.97 1aaf s GLN 2 Ca 0.00 -0.97 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 1aaf s GLN 2 Cb 0.00 -2.48 0.00 0.00 -1.09 0.00 0.00 33.01 29.44 1aaf s GLN 2 CO 0.00 -0.88 0.00 0.54 -1.32 0.00 0.00 175.29 173.63 1aaf n ARG 3 N -2.42 -1.36 -2.92 9.60 1.74 -1.26 -4.90 116.66 115.14 1aaf n ARG 3 Ca 0.10 0.90 -0.44 0.00 -0.77 0.00 0.00 57.85 57.64 1aaf n ARG 3 Cb 0.60 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 1aaf n ARG 3 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aaf n GLY 4 N -0.98 4.48 1.33 -0.13 0.00 -1.26 -4.75 105.19 103.87 1aaf n GLY 4 Ca -0.20 -2.38 0.00 0.00 0.00 0.00 0.00 46.02 43.44 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 3.12 -6.23 -3.06 1.61 4.13 -1.26 -5.10 115.26 108.47 1aaf n ASN 5 Ca 0.31 0.81 -0.16 0.00 1.68 0.00 0.00 54.58 57.23 1aaf n ASN 5 Cb 0.37 -3.16 -0.04 0.00 -1.54 0.00 0.00 39.78 35.41 1aaf n ASN 5 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1aaf n PHE 6 N 0.82 -1.39 -2.43 3.10 7.35 -1.26 -5.08 117.46 118.56 1aaf n PHE 6 Ca 0.00 -2.45 -0.00 0.00 -0.76 0.00 0.00 57.45 54.24 1aaf n PHE 6 Cb 0.00 0.53 0.00 0.00 0.35 0.00 0.00 39.48 40.36 1aaf n PHE 6 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1aaf n ARG 7 N -0.60 -2.67 -0.98 -4.13 1.74 -1.26 -4.91 116.66 103.85 1aaf n ARG 7 Ca 0.02 2.25 0.13 0.00 -0.77 0.00 0.00 57.85 59.48 1aaf n ARG 7 Cb 0.60 -4.39 -0.03 0.00 -1.02 0.00 0.00 32.46 27.62 1aaf n ARG 7 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1aaf n ASN 8 N 0.51 -7.16 0.00 0.55 3.02 -1.26 -5.04 115.26 105.89 1aaf n ASN 8 Ca 0.00 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 1aaf n ASN 8 Cb 0.01 -2.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 1aaf n ASN 8 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1aaf n GLN 9 N -3.40 0.00 -1.12 3.52 7.27 -1.26 -5.18 117.38 117.22 1aaf n GLN 9 Ca 0.01 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.11 1aaf n GLN 9 Cb 0.45 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.08 1aaf n GLN 9 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1aaf n ARG 10 N -0.66 -2.86 -0.02 3.69 3.00 -1.26 -4.82 116.66 113.72 1aaf n ARG 10 Ca 0.00 2.25 0.00 0.00 -0.01 0.00 0.00 57.85 60.09 1aaf n ARG 10 Cb 0.00 -2.90 -0.13 0.00 0.00 0.00 0.00 32.46 29.43 1aaf n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1aaf n LYS 11 N -2.66 0.66 -2.67 5.56 3.00 -1.26 -5.04 118.16 115.74 1aaf n LYS 11 Ca -0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1aaf n LYS 11 Cb 0.39 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1aaf n LYS 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1aaf n ILE 12 N -2.65 -8.22 -1.93 3.15 5.41 -1.26 -4.86 119.36 109.00 1aaf n ILE 12 Ca -0.16 -0.03 -0.40 0.00 1.00 0.00 0.00 62.75 63.16 1aaf n ILE 12 Cb 0.86 -6.21 -0.01 0.00 -0.71 0.00 0.00 39.64 33.57 1aaf n ILE 12 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1aaf n ILE 13 N -1.38 5.01 -4.57 1.39 -5.35 -1.26 -4.85 119.36 108.35 1aaf n ILE 13 Ca 0.02 -4.08 -0.33 0.00 -0.27 0.00 0.00 62.75 58.09 1aaf n ILE 13 Cb 0.47 -2.18 -0.16 0.00 -1.74 0.00 0.00 39.64 36.03 1aaf n ILE 13 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1aaf s LYS 14 N -0.49 3.07 -0.30 6.28 -2.85 -1.26 -1.03 119.74 123.16 1aaf s LYS 14 Ca 0.55 -0.82 -0.15 0.00 -1.00 0.00 0.00 55.97 54.55 1aaf s LYS 14 Cb 0.17 -2.51 -0.03 0.00 -2.06 0.00 0.00 37.83 33.41 1aaf s LYS 14 CO -0.08 -0.03 0.35 0.00 0.10 0.00 0.00 175.35 175.70 1aaf h PHE 16 N 8.31 0.00 0.00 0.00 3.57 -1.89 0.59 116.94 127.52 1aaf h PHE 16 Ca -0.31 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.88 1aaf h PHE 16 Cb 1.16 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 1aaf h PHE 16 CO 0.73 0.01 -1.69 -1.71 -2.23 0.00 0.00 178.31 173.43 1aaf n ASN 17 N -3.41 1.89 -0.03 0.41 5.15 -1.26 -4.41 115.26 113.60 1aaf n ASN 17 Ca -0.03 0.39 -0.04 0.00 -0.60 0.00 0.00 54.58 54.31 1aaf n ASN 17 Cb 0.10 -0.92 -0.14 0.00 -0.53 0.00 0.00 39.78 38.30 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 1.54 2.97 3.69 0.00 0.00 0.20 -5.03 105.19 108.57 1aaf n GLY 19 Ca -0.19 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 0.92 -0.09 1.61 1.02 -1.26 -4.28 119.74 117.67 1aaf s LYS 20 Ca 0.00 0.77 -0.01 0.00 0.02 0.00 0.00 55.97 56.74 1aaf s LYS 20 Cb 0.00 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 1aaf s LYS 20 CO 0.00 -2.46 -0.02 -1.83 -0.92 0.00 0.00 175.35 170.12 1aaf s GLU 21 N -4.91 2.99 0.00 1.68 -1.05 -1.26 -1.77 118.70 114.39 1aaf s GLU 21 Ca 0.64 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1aaf s GLU 21 Cb -0.19 -2.75 0.00 0.00 -0.44 0.00 0.00 34.13 30.75 1aaf s GLU 21 CO 0.58 0.65 0.00 0.41 0.95 0.00 0.00 175.26 177.84 1aaf n GLY 22 N 2.30 1.91 3.60 -3.83 0.00 -0.20 -5.02 105.19 103.95 1aaf n GLY 22 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.20 0.38 1.61 -3.43 -1.26 -5.08 115.29 105.31 1aaf s HIS 23 Ca 0.00 0.05 0.05 0.00 -0.80 0.00 0.00 55.06 54.36 1aaf s HIS 23 Cb 0.00 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1aaf s HIS 23 CO 0.00 -0.48 0.54 0.96 -2.00 0.00 0.00 174.74 173.75 1aaf s ILE 24 N -2.88 3.95 -0.19 -5.38 -0.00 -1.26 -3.77 121.20 111.66 1aaf s ILE 24 Ca 0.09 -0.86 0.18 0.00 -0.00 0.00 0.00 60.65 60.05 1aaf s ILE 24 Cb -0.00 -3.39 0.01 0.00 -0.00 0.00 0.00 42.46 39.08 1aaf s ILE 24 CO -0.05 -0.19 1.18 0.00 -0.00 0.00 0.00 174.94 175.88 1aaf h ALA 25 N 0.73 0.67 -0.03 2.27 0.00 -1.95 -1.75 119.26 119.20 1aaf h ALA 25 Ca -0.45 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 1aaf h ALA 25 Cb 1.26 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1aaf h ALA 25 CO 0.53 0.56 -0.09 -0.22 0.00 0.00 0.00 179.25 180.03 1aaf h LYS 26 N 0.00 0.04 -0.88 0.00 1.63 -2.02 -1.84 116.57 113.50 1aaf h LYS 26 Ca -0.06 -0.01 -0.50 0.00 -0.85 0.00 0.00 60.65 59.24 1aaf h LYS 26 Cb 1.35 -0.01 -0.28 0.00 -0.60 0.00 0.00 32.23 32.70 1aaf h LYS 26 CO 0.04 0.13 0.53 0.09 -3.45 0.00 0.00 179.45 176.80 1aaf n ASN 27 N -4.41 4.31 -4.30 4.20 5.03 -0.67 -4.96 115.26 114.47 1aaf n ASN 27 Ca -0.02 -3.68 -0.34 0.00 0.87 0.00 0.00 54.58 51.41 1aaf n ASN 27 Cb 0.18 -0.82 -0.15 0.00 -1.02 0.00 0.00 39.78 37.98 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 4.11 3.51 -1.70 0.00 5.12 -1.26 -5.02 116.66 121.43 1aaf n ARG 29 Ca -0.19 -4.13 -0.39 0.00 -1.93 0.00 0.00 57.85 51.22 1aaf n ARG 29 Cb 0.52 -2.24 0.04 0.00 -1.16 0.00 0.00 32.46 29.61 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aaf n ALA 30 N -0.72 1.10 0.10 7.54 0.00 -1.26 -4.92 120.51 122.35 1aaf n ALA 30 Ca 0.42 0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.95 1aaf n ALA 30 Cb 0.96 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 1aaf n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1aaf h PRO 31 N 1.29 -0.25 -2.02 0.00 0.13 -2.00 -3.46 132.00 125.68 1aaf h PRO 31 Ca -0.49 0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 1aaf h PRO 31 Cb 1.32 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 1aaf h PRO 31 CO 0.56 -0.17 -0.40 0.54 -0.23 0.00 0.00 178.00 178.30 1aaf n ARG 32 N -2.86 -1.27 -3.57 0.86 1.74 -1.26 -4.96 116.66 105.34 1aaf n ARG 32 Ca -0.03 0.85 -0.00 0.00 -0.77 0.00 0.00 57.85 57.90 1aaf n ARG 32 Cb 0.10 -5.22 -0.04 0.00 -1.02 0.00 0.00 32.46 26.29 1aaf n ARG 32 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1aaf s LYS 33 N -4.53 0.49 0.26 5.56 2.20 -1.26 -5.17 119.74 117.29 1aaf s LYS 33 Ca 0.00 1.23 0.04 0.00 -0.36 0.00 0.00 55.97 56.88 1aaf s LYS 33 Cb 0.00 0.74 0.04 0.00 -1.51 0.00 0.00 37.83 37.10 1aaf s LYS 33 CO 0.00 -0.18 0.35 0.54 -0.36 0.00 0.00 175.35 175.71 1aaf n ARG 34 N 5.31 0.84 0.00 4.03 3.00 -1.26 -4.87 116.66 123.71 1aaf n ARG 34 Ca -0.11 -1.44 0.00 0.00 -0.01 0.00 0.00 57.85 56.29 1aaf n ARG 34 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.87 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 1.78 -0.50 2.71 -0.13 0.00 -1.26 -3.62 105.19 104.18 1aaf n GLY 35 Ca 0.07 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf n TRP 37 N 4.92 2.61 -0.06 0.00 7.02 -1.26 -0.46 117.44 130.20 1aaf n TRP 37 Ca -0.12 -1.72 -0.13 0.00 -1.02 0.00 0.00 57.50 54.51 1aaf n TRP 37 Cb 0.50 -0.83 -0.05 0.00 -2.42 0.00 0.00 31.31 28.52 1aaf n TRP 37 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1aaf n LYS 38 N -1.02 0.28 -0.12 -0.99 4.81 -1.26 -4.75 118.16 115.10 1aaf n LYS 38 Ca 0.52 0.11 -0.16 0.00 -0.87 0.00 0.00 58.31 57.91 1aaf n LYS 38 Cb 1.52 -0.99 -0.13 0.00 0.02 0.00 0.00 35.03 35.44 1aaf n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aaf n GLY 40 N 2.15 1.32 3.51 0.00 0.00 0.39 -5.09 105.19 107.47 1aaf n GLY 40 Ca -0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.93 -0.13 1.61 2.47 -1.23 -4.52 119.74 117.02 1aaf s LYS 41 Ca 0.00 0.68 0.03 0.00 -1.56 0.00 0.00 55.97 55.12 1aaf s LYS 41 Cb 0.00 -1.56 0.01 0.00 -1.46 0.00 0.00 37.83 34.81 1aaf s LYS 41 CO 0.00 -3.69 -0.23 -1.21 0.16 0.00 0.00 175.35 170.39 1aaf s GLU 42 N -4.59 3.03 0.00 4.03 0.41 -1.26 -0.90 118.70 119.41 1aaf s GLU 42 Ca 0.68 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 54.38 1aaf s GLU 42 Cb -0.23 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 29.73 1aaf s GLU 42 CO 0.63 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.86 1aaf n GLY 43 N 3.90 1.63 3.39 -1.39 0.00 -1.26 -5.02 105.19 106.44 1aaf n GLY 43 Ca -0.20 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 0.85 0.36 1.61 -3.43 -1.24 -4.95 115.29 108.49 1aaf s HIS 44 Ca 0.00 -1.11 0.06 0.00 -0.80 0.00 0.00 55.06 53.21 1aaf s HIS 44 Cb 0.00 -0.21 -0.00 0.00 -1.43 0.00 0.00 32.58 30.93 1aaf s HIS 44 CO 0.00 -0.84 0.51 1.14 -2.00 0.00 0.00 174.74 173.55 1aaf s GLN 45 N -3.98 3.06 0.09 -0.38 -2.07 -1.26 -3.39 119.66 111.73 1aaf s GLN 45 Ca 0.31 -1.00 -0.21 0.00 -1.82 0.00 0.00 55.36 52.64 1aaf s GLN 45 Cb 0.03 -2.79 -0.11 0.00 -1.09 0.00 0.00 33.01 29.05 1aaf s GLN 45 CO 0.12 -0.03 1.66 0.52 -1.32 0.00 0.00 175.29 176.24 1aaf h MET 46 N 0.80 0.17 0.00 9.60 2.86 -1.95 0.85 114.93 127.27 1aaf h MET 46 Ca -0.45 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1aaf h MET 46 Cb 1.26 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1aaf h MET 46 CO 0.52 0.22 0.00 1.57 1.06 0.00 0.00 176.91 180.28 1aaf h LYS 47 N 0.07 0.00 -0.01 1.72 2.10 -1.98 -0.62 116.57 117.85 1aaf h LYS 47 Ca 0.04 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.63 1aaf h LYS 47 Cb 0.11 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.32 1aaf h LYS 47 CO -0.01 0.00 -0.66 -3.47 -2.00 0.00 0.00 179.45 173.31 1aaf n ASP 48 N -2.50 1.54 -4.61 7.07 -0.08 0.02 -5.01 116.55 112.98 1aaf n ASP 48 Ca -0.01 -3.35 -0.43 0.00 -1.51 0.00 0.00 54.79 49.48 1aaf n ASP 48 Cb 0.07 -0.46 -0.03 0.00 2.34 0.00 0.00 41.12 43.04 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aaf h THR 50 N 6.49 0.00 0.00 0.00 1.03 -1.90 -3.45 112.91 115.08 1aaf h THR 50 Ca -0.33 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 1aaf h THR 50 Cb 1.15 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 1aaf h THR 50 CO 1.03 0.00 0.00 -1.84 -0.01 0.00 0.00 175.52 174.70 1aaf n GLU 51 N -2.38 0.00 -1.40 0.00 0.28 -1.26 -4.90 120.64 110.98 1aaf n GLU 51 Ca -0.01 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.16 1aaf n GLU 51 Cb 0.06 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.86 1aaf n GLU 51 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1aaf n ARG 52 N 0.00 -2.96 0.00 3.44 0.00 -1.26 -5.01 116.66 110.87 1aaf n ARG 52 Ca 0.00 2.21 0.00 0.00 -0.00 0.00 0.00 57.85 60.06 1aaf n ARG 52 Cb 0.00 -3.57 0.00 0.00 -0.00 0.00 0.00 32.46 28.89 1aaf n ARG 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1aaf n GLN 53 N -4.18 0.00 0.00 2.89 7.27 -1.26 -5.08 117.38 117.03 1aaf n GLN 53 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1aaf n GLN 53 Cb 0.68 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.33 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aaf n ALA 54 N 0.00 0.00 0.87 1.69 0.00 -1.26 -5.36 120.51 116.45 1aaf n ALA 54 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1aaf n ALA 54 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1aaf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59