#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2flg s ILE 2 N 0.00 0.04 -0.83 2.41 1.10 -1.26 -5.10 121.20 117.56 2flg s ILE 2 Ca 0.00 -0.32 0.01 0.00 -0.51 0.00 0.00 60.65 59.83 2flg s ILE 2 Cb 0.00 -0.12 0.22 0.00 0.15 0.00 0.00 42.46 42.70 2flg s ILE 2 CO 0.00 -0.17 0.76 -1.54 -2.11 0.00 0.00 174.94 171.88 2flg n SER 3 N 2.54 4.03 -3.69 4.50 3.41 -1.26 -5.01 113.62 118.13 2flg n SER 3 Ca -0.16 -3.22 -0.14 0.00 -0.26 0.00 0.00 58.87 55.09 2flg n SER 3 Cb 0.58 -0.94 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 2flg n SER 3 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2flg s GLN 4 N -1.67 0.11 1.09 4.33 0.74 -1.26 -5.15 119.66 117.85 2flg s GLN 4 Ca 0.29 0.58 -0.18 0.00 0.05 0.00 0.00 55.36 56.10 2flg s GLN 4 Cb -0.02 -0.16 0.09 0.00 1.10 0.00 0.00 33.01 34.02 2flg s GLN 4 CO -0.11 -0.25 0.05 -2.39 -0.55 0.00 0.00 175.29 172.04 2flg n HIS 5 N 4.94 -1.45 -3.59 1.67 -0.00 -1.26 -5.04 115.22 110.49 2flg n HIS 5 Ca -0.13 0.16 -0.04 0.00 -0.00 0.00 0.00 57.72 57.71 2flg n HIS 5 Cb 0.51 -1.60 -0.00 0.00 -0.00 0.00 0.00 29.99 28.89 2flg n HIS 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2flg n GLN 6 N -1.91 0.27 -3.42 -1.40 10.64 -1.26 -4.60 117.38 115.70 2flg n GLN 6 Ca 0.02 -0.86 -0.38 0.00 -1.83 0.00 0.00 57.00 53.95 2flg n GLN 6 Cb 0.61 0.88 -0.07 0.00 -0.86 0.00 0.00 30.24 30.80 2flg n GLN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2flg n VAL 8 N 4.14 0.00 -2.26 0.00 0.24 -1.26 -4.74 118.33 114.45 2flg n VAL 8 Ca -0.09 -0.42 0.01 0.00 -2.04 0.00 0.00 64.34 61.80 2flg n VAL 8 Cb 0.51 1.07 -0.00 0.00 -1.47 0.00 0.00 33.84 33.95 2flg n VAL 8 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2flg n LYS 9 N -0.49 0.00 -4.03 7.34 4.76 -1.26 -5.09 118.16 119.40 2flg n LYS 9 Ca 0.00 -1.44 -0.17 0.00 -2.87 0.00 0.00 58.31 53.83 2flg n LYS 9 Cb 0.02 0.01 -0.16 0.00 -1.84 0.00 0.00 35.03 33.06 2flg n LYS 9 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2flg s LYS 10 N 0.00 0.42 -0.10 1.97 2.47 -1.26 -5.13 119.74 118.11 2flg s LYS 10 Ca 0.18 -0.03 -0.27 0.00 -1.56 0.00 0.00 55.97 54.29 2flg s LYS 10 Cb 0.20 -0.50 -0.02 0.00 -1.46 0.00 0.00 37.83 36.05 2flg s LYS 10 CO -0.09 -0.05 0.87 -0.65 0.16 0.00 0.00 175.35 175.59 2flg s GLN 11 N 0.65 4.41 0.04 4.03 -0.21 -1.26 -4.94 119.66 122.37 2flg s GLN 11 Ca -0.07 1.15 -0.03 0.00 0.02 0.00 0.00 55.36 56.43 2flg s GLN 11 Cb -0.10 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.37 2flg s GLN 11 CO -0.01 -0.18 0.04 0.00 -2.12 0.00 0.00 175.29 173.02 2flg s PRO 13 N -2.61 -0.49 0.00 0.00 0.04 -1.26 -4.96 135.00 125.71 2flg s PRO 13 Ca -0.05 0.19 0.26 0.00 0.04 0.00 0.00 61.00 61.44 2flg s PRO 13 Cb -0.01 -1.66 0.63 0.00 0.04 0.00 0.00 34.50 33.50 2flg s PRO 13 CO -0.05 -3.28 1.50 1.04 0.04 0.00 0.00 177.00 176.26 2flg n GLN 14 N -4.50 1.92 -0.13 4.56 1.13 -1.26 -3.85 117.38 115.24 2flg n GLN 14 Ca 0.09 -1.38 0.08 0.00 -1.94 0.00 0.00 57.00 53.85 2flg n GLN 14 Cb 0.58 -1.47 0.14 0.00 0.11 0.00 0.00 30.24 29.61 2flg n GLN 14 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2flg n ASN 15 N 0.67 2.84 -4.32 1.08 4.13 -1.26 -4.97 115.26 113.42 2flg n ASN 15 Ca 0.16 -1.84 -0.23 0.00 1.68 0.00 0.00 54.58 54.36 2flg n ASN 15 Cb 0.47 -0.17 -0.12 0.00 -1.54 0.00 0.00 39.78 38.42 2flg n ASN 15 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2flg s SER 16 N -1.15 2.65 -0.93 6.41 0.01 -1.25 -3.80 113.70 115.64 2flg s SER 16 Ca 0.26 -0.80 -0.00 0.00 1.31 0.00 0.00 55.95 56.72 2flg s SER 16 Cb 0.15 -0.15 0.31 0.00 0.21 0.00 0.00 66.02 66.54 2flg s SER 16 CO 0.21 0.00 1.48 0.61 0.41 0.00 0.00 173.24 175.96 2flg n GLY 17 N 0.57 5.68 3.25 3.44 0.00 0.93 -4.81 105.19 114.25 2flg n GLY 17 Ca -0.15 -2.66 -0.34 0.00 0.00 0.00 0.00 46.02 42.87 2flg n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flg s PHE 19 N -2.22 -0.27 -0.42 0.00 -0.71 -1.24 -4.68 117.98 108.44 2flg s PHE 19 Ca 0.52 0.63 -0.23 0.00 -1.04 0.00 0.00 56.93 56.81 2flg s PHE 19 Cb -0.12 0.39 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 2flg s PHE 19 CO 0.68 -0.13 0.76 0.50 -1.34 0.00 0.00 175.22 175.69 2flg s ARG 20 N 0.29 3.50 1.29 1.99 3.52 -1.23 -1.81 118.95 126.51 2flg s ARG 20 Ca 0.03 -0.01 -0.20 0.00 -0.13 0.00 0.00 55.73 55.42 2flg s ARG 20 Cb -0.05 -3.90 0.30 0.00 -1.56 0.00 0.00 34.95 29.75 2flg s ARG 20 CO -0.11 -1.01 0.69 0.72 -0.81 0.00 0.00 175.30 174.78 2flg n HIS 21 N 6.54 -3.04 0.77 5.12 8.25 0.67 -4.69 115.22 128.85 2flg n HIS 21 Ca 0.02 -0.47 0.10 0.00 -0.26 0.00 0.00 57.72 57.10 2flg n HIS 21 Cb 0.48 -1.40 0.45 0.00 1.12 0.00 0.00 29.99 30.64 2flg n HIS 21 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2flg n LEU 22 N -4.17 0.00 -1.24 2.41 4.77 -1.26 -2.40 117.00 115.10 2flg n LEU 22 Ca 0.10 0.42 0.03 0.00 -0.03 0.00 0.00 56.01 56.53 2flg n LEU 22 Cb 0.51 -0.42 0.27 0.00 -2.33 0.00 0.00 43.42 41.45 2flg n LEU 22 CO 0.37 -0.14 0.79 -0.90 -1.33 0.00 0.00 177.39 176.18 2flg n ASP 23 N -1.42 3.92 -2.34 -1.43 5.75 -1.26 -4.92 116.55 114.84 2flg n ASP 23 Ca 0.06 -3.21 -0.18 0.00 -0.01 0.00 0.00 54.79 51.45 2flg n ASP 23 Cb 0.20 -0.62 0.02 0.00 -1.03 0.00 0.00 41.12 39.69 2flg n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2flg n GLU 24 N -0.50 -3.18 -3.75 0.11 1.02 -1.01 -4.98 120.64 108.35 2flg n GLU 24 Ca 0.29 0.78 -0.37 0.00 -0.02 0.00 0.00 57.16 57.83 2flg n GLU 24 Cb 1.05 -5.29 -0.12 0.00 -0.02 0.00 0.00 31.44 27.07 2flg n GLU 24 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2flg s ARG 25 N -5.28 2.43 0.02 3.49 3.52 -1.26 -4.85 118.95 117.01 2flg s ARG 25 Ca 0.17 -1.43 -0.27 0.00 -0.13 0.00 0.00 55.73 54.07 2flg s ARG 25 Cb -0.07 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2flg s ARG 25 CO 0.21 -0.83 0.85 -1.21 -0.81 0.00 0.00 175.30 173.50 2flg s GLU 26 N 1.32 4.54 -0.40 5.12 8.01 -1.26 -0.24 118.70 135.79 2flg s GLU 26 Ca 0.01 1.19 0.02 0.00 0.01 0.00 0.00 54.97 56.20 2flg s GLU 26 Cb -0.21 -3.41 0.12 0.00 -4.31 0.00 0.00 34.13 26.31 2flg s GLU 26 CO 0.00 0.12 0.18 -2.00 0.01 0.00 0.00 175.26 173.57 2flg s GLU 27 N 0.48 1.18 -1.20 1.61 -6.30 -0.75 -4.94 118.70 108.78 2flg s GLU 27 Ca 0.44 -1.76 -0.22 0.00 -2.50 0.00 0.00 54.97 50.93 2flg s GLU 27 Cb -0.20 -2.38 -0.06 0.00 0.00 0.00 0.00 34.13 31.48 2flg s GLU 27 CO 0.24 -1.09 1.90 0.00 0.02 0.00 0.00 175.26 176.34 2flg s LYS 29 N 6.05 3.23 0.57 0.00 -2.85 -1.26 -4.84 119.74 120.64 2flg s LYS 29 Ca 0.66 -0.51 -0.21 0.00 -1.00 0.00 0.00 55.97 54.91 2flg s LYS 29 Cb 0.01 -2.93 -0.04 0.00 -2.06 0.00 0.00 37.83 32.80 2flg s LYS 29 CO 0.13 0.61 1.32 0.00 0.10 0.00 0.00 175.35 177.50 2flg n LEU 31 N -1.26 0.00 0.00 0.00 4.77 -1.25 -4.57 117.00 114.69 2flg n LEU 31 Ca 0.12 -0.69 0.12 0.00 -0.03 0.00 0.00 56.01 55.53 2flg n LEU 31 Cb 0.46 -0.89 0.65 0.00 -2.33 0.00 0.00 43.42 41.31 2flg n LEU 31 CO 0.50 -2.68 0.92 0.18 -1.33 0.00 0.00 177.39 174.99 2flg n LEU 32 N 0.00 0.00 -1.45 2.23 4.32 -1.26 -2.98 117.00 117.87 2flg n LEU 32 Ca 0.11 0.26 -0.11 0.00 -0.02 0.00 0.00 56.01 56.26 2flg n LEU 32 Cb 0.48 -0.26 0.17 0.00 -1.62 0.00 0.00 43.42 42.18 2flg n LEU 32 CO 0.31 -0.04 0.75 0.59 -1.22 0.00 0.00 177.39 177.78 2flg n ASN 33 N -1.26 3.21 -3.51 -1.43 3.02 -1.26 -4.80 115.26 109.22 2flg n ASN 33 Ca 0.13 -3.78 -0.27 0.00 -0.03 0.00 0.00 54.58 50.62 2flg n ASN 33 Cb 0.19 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.60 2flg n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2flg s TYR 34 N -3.34 1.64 -0.48 3.10 1.51 -1.16 -3.10 117.35 115.52 2flg s TYR 34 Ca 0.48 -2.54 -0.26 0.00 -1.01 0.00 0.00 57.07 53.74 2flg s TYR 34 Cb 0.42 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.90 2flg s TYR 34 CO 0.01 -0.77 2.24 -1.59 -1.11 0.00 0.00 175.55 174.33 2flg s LYS 35 N -0.25 2.39 0.38 -0.62 -2.85 -1.20 -4.55 119.74 113.03 2flg s LYS 35 Ca 0.31 1.31 -0.24 0.00 -1.00 0.00 0.00 55.97 56.35 2flg s LYS 35 Cb 0.01 -4.50 -0.13 0.00 -2.06 0.00 0.00 37.83 31.15 2flg s LYS 35 CO -0.19 -2.96 0.69 0.94 0.10 0.00 0.00 175.35 173.93 2flg n GLN 36 N 8.99 0.76 0.06 1.78 7.27 -1.26 -4.58 117.38 130.40 2flg n GLN 36 Ca 0.32 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.66 2flg n GLN 36 Cb 0.53 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.59 2flg n GLN 36 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2flg n GLU 37 N 0.59 0.00 -3.18 3.69 4.07 -1.26 -4.97 120.64 119.58 2flg n GLU 37 Ca 0.11 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 57.00 2flg n GLU 37 Cb 0.37 -0.40 -0.05 0.00 -0.06 0.00 0.00 31.44 31.30 2flg n GLU 37 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2flg n GLY 38 N 3.15 3.59 3.32 8.31 0.00 -1.26 -4.93 105.19 117.37 2flg n GLY 38 Ca 0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 2flg n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2flg n ASP 39 N 0.67 -3.04 -2.67 1.61 9.92 -1.26 -4.99 116.55 116.79 2flg n ASP 39 Ca 0.24 -0.56 -0.07 0.00 -0.53 0.00 0.00 54.79 53.87 2flg n ASP 39 Cb 0.57 -4.81 0.02 0.00 -0.64 0.00 0.00 41.12 36.27 2flg n ASP 39 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2flg n LYS 40 N -4.13 0.93 -4.39 -1.24 2.85 -1.26 -5.17 118.16 105.76 2flg n LYS 40 Ca -0.20 -1.85 -0.35 0.00 -1.05 0.00 0.00 58.31 54.85 2flg n LYS 40 Cb 0.63 2.34 -0.10 0.00 -0.65 0.00 0.00 35.03 37.26 2flg n LYS 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2flg s VAL 42 N -0.87 -0.45 -1.05 0.00 -7.23 -1.26 -5.02 120.40 104.52 2flg s VAL 42 Ca 0.13 -0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 59.95 2flg s VAL 42 Cb -0.11 -0.74 -0.13 0.00 0.56 0.00 0.00 36.38 35.96 2flg s VAL 42 CO 0.02 -0.17 2.05 -1.83 -0.31 0.00 0.00 175.10 174.86 2flg s GLU 43 N 2.42 2.00 -0.65 4.82 4.04 -1.26 -3.25 118.70 126.82 2flg s GLU 43 Ca 0.10 -0.57 -0.13 0.00 0.04 0.00 0.00 54.97 54.41 2flg s GLU 43 Cb -0.16 -5.07 0.02 0.00 0.02 0.00 0.00 34.13 28.94 2flg s GLU 43 CO -0.14 -4.39 0.64 -1.71 -1.84 0.00 0.00 175.26 167.83 2flg n ASN 44 N 16.45 -6.18 0.11 0.83 4.05 -1.18 -4.88 115.26 124.46 2flg n ASN 44 Ca 0.43 -0.32 -0.02 0.00 0.45 0.00 0.00 54.58 55.12 2flg n ASN 44 Cb 0.46 -3.08 0.21 0.00 1.23 0.00 0.00 39.78 38.61 2flg n ASN 44 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2flg h PRO 45 N 0.85 0.18 -2.70 1.20 0.13 -1.91 -3.47 132.00 126.29 2flg h PRO 45 Ca -0.38 -0.09 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2flg h PRO 45 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2flg h PRO 45 CO 0.29 0.61 0.33 -0.80 -0.23 0.00 0.00 178.00 178.20 2flg s ASN 46 N -6.88 -0.47 0.48 1.44 0.01 -1.26 -5.04 114.94 103.23 2flg s ASN 46 Ca -0.04 -0.03 0.27 0.00 -0.71 0.00 0.00 52.86 52.35 2flg s ASN 46 Cb 0.13 0.52 1.14 0.00 0.41 0.00 0.00 41.25 43.45 2flg s ASN 46 CO 0.77 -0.85 1.92 1.55 -1.51 0.00 0.00 177.10 178.98 2flg h PRO 47 N 2.00 0.00 0.00 -0.60 0.13 -2.03 -3.51 132.00 127.99 2flg h PRO 47 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2flg h PRO 47 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2flg h PRO 47 CO 0.34 0.15 0.00 0.25 -0.23 0.00 0.00 178.00 178.52