#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 4.69 -0.14 2.41 1.10 -1.26 -5.06 121.20 122.94 2flg s ILE 2 Ca 0.00 1.36 -0.31 0.00 -0.51 0.00 0.00 60.65 61.19 2flg s ILE 2 Cb 0.00 -3.97 0.13 0.00 0.15 0.00 0.00 42.46 38.77 2flg s ILE 2 CO 0.00 0.51 1.05 -0.55 -2.11 0.00 0.00 174.94 173.84 2flg s SER 3 N -0.87 -0.29 -0.42 4.50 0.15 -1.26 -5.12 113.70 110.39 2flg s SER 3 Ca 0.31 0.19 0.02 0.00 0.70 0.00 0.00 55.95 57.17 2flg s SER 3 Cb -0.20 0.26 0.14 0.00 -1.71 0.00 0.00 66.02 64.51 2flg s SER 3 CO 0.21 -0.35 0.23 0.00 1.20 0.00 0.00 173.24 174.52 2flg s GLN 4 N -1.82 1.11 1.11 5.44 -2.07 -1.26 -5.13 119.66 117.04 2flg s GLN 4 Ca 0.03 -1.84 -0.19 0.00 -1.82 0.00 0.00 55.36 51.54 2flg s GLN 4 Cb -0.01 -2.09 0.09 0.00 -1.09 0.00 0.00 33.01 29.91 2flg s GLN 4 CO -0.03 -1.17 -0.01 -2.39 -1.32 0.00 0.00 175.29 170.37 2flg n HIS 5 N 3.67 -1.43 -3.89 9.60 1.44 -1.26 -5.03 115.22 118.32 2flg n HIS 5 Ca 0.09 0.16 -0.03 0.00 -2.01 0.00 0.00 57.72 55.93 2flg n HIS 5 Cb 0.35 -1.57 0.02 0.00 0.12 0.00 0.00 29.99 28.91 2flg n HIS 5 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2flg n GLN 6 N -1.91 0.63 -2.91 -1.40 7.27 -1.26 -4.62 117.38 113.17 2flg n GLN 6 Ca 0.01 -1.43 -0.41 0.00 0.07 0.00 0.00 57.00 55.24 2flg n GLN 6 Cb 0.62 1.94 -0.04 0.00 2.41 0.00 0.00 30.24 35.17 2flg n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2flg n VAL 8 N 3.86 0.00 -2.66 0.00 3.14 -1.26 -4.72 118.33 116.69 2flg n VAL 8 Ca 0.02 -0.22 -0.09 0.00 -2.96 0.00 0.00 64.34 61.09 2flg n VAL 8 Cb 0.51 0.28 0.03 0.00 -1.06 0.00 0.00 33.84 33.61 2flg n VAL 8 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2flg n LYS 9 N -1.83 1.14 -3.98 1.45 4.76 -1.26 -5.09 118.16 113.35 2flg n LYS 9 Ca -0.02 -3.23 -0.10 0.00 -2.87 0.00 0.00 58.31 52.09 2flg n LYS 9 Cb 0.25 -1.23 -0.12 0.00 -1.84 0.00 0.00 35.03 32.10 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 -3.08 0.30 0.00 1.97 2.47 -1.26 -5.10 119.74 115.03 2flg s LYS 10 Ca 0.27 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 54.17 2flg s LYS 10 Cb 0.46 0.01 0.00 0.00 -1.46 0.00 0.00 37.83 36.84 2flg s LYS 10 CO 0.04 -0.02 0.00 1.04 0.16 0.00 0.00 175.35 176.57 2flg n GLN 11 N 1.88 0.00 -1.25 4.03 6.02 -1.26 -5.03 117.38 121.76 2flg n GLN 11 Ca -0.21 0.18 0.07 0.00 -0.01 0.00 0.00 57.00 57.03 2flg n GLN 11 Cb 0.56 -0.62 -0.04 0.00 1.02 0.00 0.00 30.24 31.16 2flg n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2flg s PRO 13 N -4.67 -0.91 0.00 0.00 0.04 -1.26 -4.97 135.00 123.23 2flg s PRO 13 Ca 0.00 0.05 0.25 0.00 0.04 0.00 0.00 61.00 61.33 2flg s PRO 13 Cb 0.00 -1.62 0.31 0.00 0.04 0.00 0.00 34.50 33.23 2flg s PRO 13 CO 0.00 -3.53 1.32 0.94 0.04 0.00 0.00 177.00 175.77 2flg n GLN 14 N -4.65 2.05 -0.50 4.56 7.27 -1.26 -4.09 117.38 120.76 2flg n GLN 14 Ca 0.11 -1.63 0.06 0.00 0.07 0.00 0.00 57.00 55.62 2flg n GLN 14 Cb 0.59 -1.47 0.24 0.00 2.41 0.00 0.00 30.24 32.02 2flg n GLN 14 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2flg n ASN 15 N 0.94 3.55 -3.90 1.69 4.13 -1.26 -5.01 115.26 115.40 2flg n ASN 15 Ca 0.14 -3.17 -0.20 0.00 1.68 0.00 0.00 54.58 53.04 2flg n ASN 15 Cb 0.54 -0.56 -0.09 0.00 -1.54 0.00 0.00 39.78 38.13 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 -2.09 1.70 -0.51 6.41 0.01 -1.26 -3.98 113.70 113.99 2flg s SER 16 Ca 0.42 -1.60 0.07 0.00 1.31 0.00 0.00 55.95 56.15 2flg s SER 16 Cb 0.35 0.43 0.27 0.00 0.21 0.00 0.00 66.02 67.28 2flg s SER 16 CO 0.07 -0.92 0.67 0.61 0.41 0.00 0.00 173.24 174.08 2flg n GLY 17 N -0.63 3.97 3.24 3.44 0.00 0.33 -4.65 105.19 110.89 2flg n GLY 17 Ca 0.01 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.21 -0.28 0.00 -0.71 -1.19 -4.66 117.98 108.71 2flg s PHE 19 Ca 0.51 0.42 -0.28 0.00 -1.04 0.00 0.00 56.93 56.54 2flg s PHE 19 Cb -0.13 0.46 0.01 0.00 -1.21 0.00 0.00 43.02 42.15 2flg s PHE 19 CO 0.70 -0.15 1.02 0.50 -1.34 0.00 0.00 175.22 175.94 2flg s ARG 20 N -0.59 4.13 1.38 1.99 6.06 -1.26 -0.78 118.95 129.87 2flg s ARG 20 Ca 0.05 1.11 -0.23 0.00 -2.50 0.00 0.00 55.73 54.16 2flg s ARG 20 Cb -0.02 -3.70 0.36 0.00 0.06 0.00 0.00 34.95 31.64 2flg s ARG 20 CO -0.07 -0.76 0.80 0.72 -2.50 0.00 0.00 175.30 173.49 2flg n HIS 21 N 6.56 -3.67 1.75 5.12 8.25 0.85 -4.74 115.22 129.35 2flg n HIS 21 Ca 0.11 -0.75 0.15 0.00 -0.26 0.00 0.00 57.72 56.97 2flg n HIS 21 Cb 0.47 -1.18 0.87 0.00 1.12 0.00 0.00 29.99 31.27 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 0.00 0.00 -1.76 2.41 7.99 -1.26 -3.33 117.00 121.05 2flg n LEU 22 Ca 0.13 0.12 -0.15 0.00 -0.01 0.00 0.00 56.01 56.10 2flg n LEU 22 Cb 0.56 -0.12 0.06 0.00 -0.11 0.00 0.00 43.42 43.81 2flg n LEU 22 CO 0.37 -0.00 0.20 0.47 -1.51 0.00 0.00 177.39 176.92 2flg n ASP 23 N -1.12 3.85 -3.59 -1.43 8.00 -1.26 -4.97 116.55 116.03 2flg n ASP 23 Ca 0.20 -3.60 -0.28 0.00 0.71 0.00 0.00 54.79 51.82 2flg n ASP 23 Cb 0.16 -0.39 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 2flg n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2flg n GLU 24 N -0.76 -1.39 -3.44 -1.24 1.02 -1.21 -4.99 120.64 108.62 2flg n GLU 24 Ca 0.35 0.55 -0.18 0.00 -0.02 0.00 0.00 57.16 57.86 2flg n GLU 24 Cb 0.90 -4.43 -0.11 0.00 -0.02 0.00 0.00 31.44 27.78 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 -5.63 0.26 0.13 3.49 3.52 -1.26 -4.91 118.95 114.55 2flg s ARG 25 Ca 0.46 0.03 -0.31 0.00 -0.13 0.00 0.00 55.73 55.78 2flg s ARG 25 Cb -0.15 -0.90 -0.07 0.00 -1.56 0.00 0.00 34.95 32.27 2flg s ARG 25 CO 0.84 -0.85 1.27 -1.21 -0.81 0.00 0.00 175.30 174.55 2flg s GLU 26 N 2.34 4.40 -0.35 5.12 2.02 -1.26 -0.11 118.70 130.88 2flg s GLU 26 Ca 0.09 1.93 0.02 0.00 0.02 0.00 0.00 54.97 57.03 2flg s GLU 26 Cb -0.15 -3.27 0.10 0.00 0.10 0.00 0.00 34.13 30.92 2flg s GLU 26 CO -0.23 -0.27 0.09 -2.00 0.02 0.00 0.00 175.26 172.86 2flg s GLU 27 N 0.58 1.22 -1.13 1.61 2.56 0.04 -4.92 118.70 118.67 2flg s GLU 27 Ca 0.59 -1.64 -0.20 0.00 0.00 0.00 0.00 54.97 53.71 2flg s GLU 27 Cb -0.34 -2.73 -0.06 0.00 2.00 0.00 0.00 34.13 33.00 2flg s GLU 27 CO 0.33 -0.98 1.93 0.00 -0.56 0.00 0.00 175.26 175.98 2flg s LYS 29 N 5.12 3.32 0.57 0.00 -2.85 -1.26 -4.83 119.74 119.80 2flg s LYS 29 Ca 0.59 -0.38 -0.19 0.00 -1.00 0.00 0.00 55.97 54.99 2flg s LYS 29 Cb 0.07 -3.02 -0.06 0.00 -2.06 0.00 0.00 37.83 32.76 2flg s LYS 29 CO 0.09 0.66 0.92 0.00 0.10 0.00 0.00 175.35 177.12 2flg n LEU 31 N -0.39 -0.66 0.00 0.00 4.77 -1.26 -4.48 117.00 114.99 2flg n LEU 31 Ca 0.13 -0.69 0.12 0.00 -0.03 0.00 0.00 56.01 55.54 2flg n LEU 31 Cb 0.46 -0.91 0.64 0.00 -2.33 0.00 0.00 43.42 41.28 2flg n LEU 31 CO 0.51 -4.09 0.92 -0.11 -1.33 0.00 0.00 177.39 173.28 2flg n LEU 32 N -4.01 0.00 -1.38 2.23 7.94 -1.26 -2.89 117.00 117.63 2flg n LEU 32 Ca 0.11 0.27 -0.07 0.00 -1.11 0.00 0.00 56.01 55.21 2flg n LEU 32 Cb 0.49 -0.27 0.21 0.00 0.53 0.00 0.00 43.42 44.37 2flg n LEU 32 CO 0.32 -0.05 0.82 0.59 -1.11 0.00 0.00 177.39 177.97 2flg n ASN 33 N -1.27 2.95 -3.77 1.96 3.02 -1.26 -4.90 115.26 111.97 2flg n ASN 33 Ca 0.12 -3.65 -0.27 0.00 -0.03 0.00 0.00 54.58 50.75 2flg n ASN 33 Cb 0.20 -0.67 -0.17 0.00 -0.61 0.00 0.00 39.78 38.53 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 -3.21 1.15 -0.91 3.10 1.51 -1.14 -2.82 117.35 115.03 2flg s TYR 34 Ca 0.47 -0.84 -0.14 0.00 -1.01 0.00 0.00 57.07 55.55 2flg s TYR 34 Cb 0.42 -1.07 0.21 0.00 -0.11 0.00 0.00 41.96 41.41 2flg s TYR 34 CO 0.03 -0.58 0.92 -1.59 -1.11 0.00 0.00 175.55 173.22 2flg s LYS 35 N 1.81 3.72 -0.23 -0.62 -2.85 -1.14 -4.81 119.74 115.61 2flg s LYS 35 Ca -0.00 -2.45 -0.39 0.00 -1.00 0.00 0.00 55.97 52.13 2flg s LYS 35 Cb -0.16 -4.57 -0.15 0.00 -2.06 0.00 0.00 37.83 30.89 2flg s LYS 35 CO -0.07 -1.40 1.78 0.94 0.10 0.00 0.00 175.35 176.70 2flg n GLN 36 N 4.35 1.40 -0.10 1.78 7.27 -1.26 -4.65 117.38 126.17 2flg n GLN 36 Ca 0.18 0.51 -0.12 0.00 0.07 0.00 0.00 57.00 57.65 2flg n GLN 36 Cb 0.46 -2.24 -0.15 0.00 2.41 0.00 0.00 30.24 30.72 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 5.70 0.68 0.00 3.69 2.13 -1.26 -5.00 120.64 126.57 2flg n GLU 37 Ca 0.26 0.03 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2flg n GLU 37 Cb 0.17 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.35 2flg n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2flg n GLY 38 N 1.84 1.94 1.62 8.31 0.00 -1.26 -5.02 105.19 112.62 2flg n GLY 38 Ca -0.35 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 2flg n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2flg n ASP 39 N 0.00 2.85 -2.74 1.61 -0.08 -1.26 -5.06 116.55 111.87 2flg n ASP 39 Ca 0.00 -3.30 -0.11 0.00 -1.51 0.00 0.00 54.79 49.87 2flg n ASP 39 Cb 0.00 -0.42 -0.00 0.00 2.34 0.00 0.00 41.12 43.04 2flg n ASP 39 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2flg n LYS 40 N -0.67 0.84 -3.95 -0.67 2.85 -1.26 -5.17 118.16 110.14 2flg n LYS 40 Ca 0.25 -2.32 -0.35 0.00 -1.05 0.00 0.00 58.31 54.85 2flg n LYS 40 Cb 0.88 2.51 -0.06 0.00 -0.65 0.00 0.00 35.03 37.71 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 -1.16 0.21 -1.20 0.00 -7.23 -1.26 -5.03 120.40 104.73 2flg s VAL 42 Ca 0.21 -0.27 -0.22 0.00 -1.81 0.00 0.00 61.98 59.89 2flg s VAL 42 Cb -0.12 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 36.01 2flg s VAL 42 CO 0.11 -0.17 1.92 -0.70 -0.31 0.00 0.00 175.10 175.95 2flg s GLU 43 N 2.01 2.61 -0.63 4.82 2.12 -1.26 -2.91 118.70 125.47 2flg s GLU 43 Ca 0.01 -1.26 -0.13 0.00 0.36 0.00 0.00 54.97 53.96 2flg s GLU 43 Cb -0.16 -5.27 0.02 0.00 0.26 0.00 0.00 34.13 28.98 2flg s GLU 43 CO -0.08 -3.86 0.64 -1.71 -0.54 0.00 0.00 175.26 169.71 2flg n ASN 44 N 13.91 -6.48 -0.11 -1.70 4.05 -1.13 -4.91 115.26 118.90 2flg n ASN 44 Ca 0.45 -0.20 -0.13 0.00 0.45 0.00 0.00 54.58 55.15 2flg n ASN 44 Cb 0.46 -3.46 -0.01 0.00 1.23 0.00 0.00 39.78 38.00 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 0.99 0.91 -1.24 1.20 0.13 -1.93 -3.48 132.00 128.58 2flg h PRO 45 Ca -0.31 -0.47 0.30 0.00 -0.87 0.00 0.00 66.00 64.64 2flg h PRO 45 Cb 1.21 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.15 2flg h PRO 45 CO 0.28 1.13 0.91 0.54 -0.23 0.00 0.00 178.00 180.62 2flg s ASN 46 N -6.84 -0.07 -0.79 1.44 2.20 -1.26 -5.09 114.94 104.53 2flg s ASN 46 Ca -0.11 -0.00 -0.25 0.00 -0.94 0.00 0.00 52.86 51.56 2flg s ASN 46 Cb 0.11 0.07 -0.04 0.00 -2.00 0.00 0.00 41.25 39.40 2flg s ASN 46 CO 0.88 -0.11 1.91 -2.16 -2.94 0.00 0.00 177.10 174.68 2flg s PRO 47 N -2.21 2.58 0.00 3.55 0.04 -1.26 -5.12 135.00 132.58 2flg s PRO 47 Ca 0.11 0.07 0.10 0.00 0.04 0.00 0.00 61.00 61.32 2flg s PRO 47 Cb -0.01 -4.79 0.08 0.00 0.04 0.00 0.00 34.50 29.81 2flg s PRO 47 CO -0.03 -3.12 0.81 0.25 0.04 0.00 0.00 177.00 174.94