#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2flg n ILE 2 N 0.00 2.87 -3.93 2.41 2.08 -1.26 -4.77 119.36 116.76 2flg n ILE 2 Ca 0.00 -5.14 -0.30 0.00 0.56 0.00 0.00 62.75 57.87 2flg n ILE 2 Cb 0.00 -2.30 0.02 0.00 -0.75 0.00 0.00 39.64 36.61 2flg n ILE 2 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2flg n SER 3 N 2.03 -4.19 -4.12 4.38 7.64 -1.26 -4.96 113.62 113.15 2flg n SER 3 Ca 0.23 -0.82 -0.33 0.00 1.01 0.00 0.00 58.87 58.96 2flg n SER 3 Cb 0.37 -3.75 -0.16 0.00 -1.01 0.00 0.00 64.21 59.66 2flg n SER 3 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2flg s GLN 4 N -6.60 2.85 1.06 1.43 -0.21 -1.26 -5.12 119.66 111.82 2flg s GLN 4 Ca 0.59 -0.93 -0.17 0.00 0.02 0.00 0.00 55.36 54.88 2flg s GLN 4 Cb -0.30 -2.66 0.08 0.00 1.00 0.00 0.00 33.01 31.13 2flg s GLN 4 CO 0.84 -0.28 0.11 -2.39 -2.12 0.00 0.00 175.29 171.44 2flg n HIS 5 N 4.59 -1.48 -3.94 0.91 1.44 -1.26 -5.03 115.22 110.45 2flg n HIS 5 Ca -0.19 0.17 -0.12 0.00 -2.01 0.00 0.00 57.72 55.57 2flg n HIS 5 Cb 0.48 -1.63 -0.00 0.00 0.12 0.00 0.00 29.99 28.96 2flg n HIS 5 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2flg s GLN 6 N -3.47 2.13 0.20 -1.40 0.74 -1.26 -4.49 119.66 112.10 2flg s GLN 6 Ca 0.56 -1.64 -0.27 0.00 0.05 0.00 0.00 55.36 54.06 2flg s GLN 6 Cb -0.15 0.54 -0.08 0.00 1.10 0.00 0.00 33.01 34.42 2flg s GLN 6 CO 0.67 -0.95 0.83 0.00 -0.55 0.00 0.00 175.29 175.29 2flg n VAL 8 N 1.47 0.09 -2.85 0.00 0.24 -1.26 -4.79 118.33 111.24 2flg n VAL 8 Ca -0.04 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 2flg n VAL 8 Cb 0.48 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 -1.81 1.30 -3.88 7.34 4.76 -1.26 -5.09 118.16 119.52 2flg n LYS 9 Ca -0.03 -3.43 -0.11 0.00 -2.87 0.00 0.00 58.31 51.87 2flg n LYS 9 Cb 0.28 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.92 0.50 0.00 1.97 2.47 -1.26 -5.11 119.74 115.39 2flg s LYS 10 Ca 0.34 -0.47 0.00 0.00 -1.56 0.00 0.00 55.97 54.28 2flg s LYS 10 Cb 0.41 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.98 2flg s LYS 10 CO -0.02 -0.12 0.00 1.04 0.16 0.00 0.00 175.35 176.41 2flg n GLN 11 N 1.34 0.00 -1.29 4.03 1.13 -1.26 -5.04 117.38 116.29 2flg n GLN 11 Ca -0.22 0.12 0.08 0.00 -1.94 0.00 0.00 57.00 55.04 2flg n GLN 11 Cb 0.56 -0.50 -0.05 0.00 0.11 0.00 0.00 30.24 30.36 2flg n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2flg s PRO 13 N -4.63 -1.22 0.00 0.00 0.04 -1.26 -4.98 135.00 122.95 2flg s PRO 13 Ca 0.00 -0.06 0.23 0.00 0.04 0.00 0.00 61.00 61.20 2flg s PRO 13 Cb 0.00 -1.60 0.06 0.00 0.04 0.00 0.00 34.50 33.00 2flg s PRO 13 CO 0.00 -3.71 1.10 1.04 0.04 0.00 0.00 177.00 175.47 2flg n GLN 14 N -4.76 0.14 -0.20 4.56 3.00 -1.26 -3.98 117.38 114.89 2flg n GLN 14 Ca 0.13 -0.11 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 2flg n GLN 14 Cb 0.59 -1.50 0.25 0.00 0.00 0.00 0.00 30.24 29.59 2flg n GLN 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2flg n ASN 15 N -1.33 3.18 -4.24 1.08 4.13 -1.26 -4.92 115.26 111.89 2flg n ASN 15 Ca 0.05 -1.95 -0.20 0.00 1.68 0.00 0.00 54.58 54.16 2flg n ASN 15 Cb 0.34 -0.26 -0.12 0.00 -1.54 0.00 0.00 39.78 38.21 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 -1.42 2.10 -0.85 6.41 0.01 -1.26 -3.78 113.70 114.92 2flg s SER 16 Ca 0.38 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.91 2flg s SER 16 Cb 0.22 -0.09 0.26 0.00 0.21 0.00 0.00 66.02 66.62 2flg s SER 16 CO 0.30 -0.07 0.99 0.61 0.41 0.00 0.00 173.24 175.48 2flg n GLY 17 N 0.81 4.75 3.21 3.44 0.00 0.91 -4.79 105.19 113.52 2flg n GLY 17 Ca -0.18 -2.70 -0.35 0.00 0.00 0.00 0.00 46.02 42.80 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 -2.19 -0.59 -0.21 0.00 -0.71 -1.11 -4.56 117.98 108.61 2flg s PHE 19 Ca 0.49 1.41 -0.24 0.00 -1.04 0.00 0.00 56.93 57.55 2flg s PHE 19 Cb -0.16 0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2flg s PHE 19 CO 0.73 -0.31 0.78 0.50 -1.34 0.00 0.00 175.22 175.58 2flg s ARG 20 N 0.16 4.23 1.20 1.99 3.52 -1.25 -1.21 118.95 127.58 2flg s ARG 20 Ca 0.01 0.88 -0.19 0.00 -0.13 0.00 0.00 55.73 56.30 2flg s ARG 20 Cb -0.05 -3.61 0.29 0.00 -1.56 0.00 0.00 34.95 30.03 2flg s ARG 20 CO -0.02 -0.38 1.12 -1.01 -0.81 0.00 0.00 175.30 174.19 2flg s HIS 21 N 2.37 0.45 0.13 5.12 3.76 0.86 -4.66 115.29 123.32 2flg s HIS 21 Ca 0.34 0.46 0.26 0.00 -0.15 0.00 0.00 55.06 55.98 2flg s HIS 21 Cb -0.16 -3.49 1.04 0.00 1.11 0.00 0.00 32.58 31.07 2flg s HIS 21 CO 0.10 -3.87 1.87 -0.07 -0.85 0.00 0.00 174.74 171.91 2flg h LEU 22 N -2.57 0.00 -3.55 0.89 3.38 -1.97 -2.80 115.31 108.69 2flg h LEU 22 Ca -0.44 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.15 2flg h LEU 22 Cb 1.29 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.81 2flg h LEU 22 CO 0.33 0.16 0.48 -0.67 0.09 0.00 0.00 178.44 178.83 2flg n ASP 23 N -3.32 3.71 -3.66 -0.43 2.03 -1.26 -4.88 116.55 108.74 2flg n ASP 23 Ca 0.00 -3.23 -0.21 0.00 0.52 0.00 0.00 54.79 51.87 2flg n ASP 23 Cb 0.39 -0.76 0.05 0.00 -0.72 0.00 0.00 41.12 40.08 2flg n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2flg n GLU 24 N -0.69 -5.44 -3.87 -0.67 1.02 -1.05 -4.98 120.64 104.95 2flg n GLU 24 Ca 0.45 0.67 -0.30 0.00 -0.02 0.00 0.00 57.16 57.97 2flg n GLU 24 Cb 1.40 -5.37 -0.16 0.00 -0.02 0.00 0.00 31.44 27.29 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 -5.91 1.27 0.04 3.49 3.52 -1.25 -4.88 118.95 115.22 2flg s ARG 25 Ca 0.07 -0.98 -0.29 0.00 -0.13 0.00 0.00 55.73 54.40 2flg s ARG 25 Cb -0.04 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 2flg s ARG 25 CO 0.79 -0.71 0.93 -1.21 -0.81 0.00 0.00 175.30 174.29 2flg s GLU 26 N 1.47 4.59 -0.24 5.12 2.02 -1.26 -0.10 118.70 130.31 2flg s GLU 26 Ca -0.01 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.34 2flg s GLU 26 Cb -0.18 -3.42 0.07 0.00 0.10 0.00 0.00 34.13 30.69 2flg s GLU 26 CO -0.10 0.08 -0.02 -2.00 0.02 0.00 0.00 175.26 173.25 2flg s GLU 27 N 0.54 1.34 -1.06 1.61 -6.30 -0.35 -4.92 118.70 109.55 2flg s GLU 27 Ca 0.48 -0.93 -0.20 0.00 -2.50 0.00 0.00 54.97 51.82 2flg s GLU 27 Cb -0.21 -2.47 -0.08 0.00 0.00 0.00 0.00 34.13 31.37 2flg s GLU 27 CO 0.27 -0.66 1.97 0.00 0.02 0.00 0.00 175.26 176.86 2flg s LYS 29 N 4.84 3.83 0.55 0.00 -0.14 -1.26 -4.80 119.74 122.76 2flg s LYS 29 Ca 0.57 0.31 -0.21 0.00 -1.36 0.00 0.00 55.97 55.28 2flg s LYS 29 Cb 0.10 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.49 2flg s LYS 29 CO 0.07 0.36 1.26 0.00 -0.76 0.00 0.00 175.35 176.28 2flg n LEU 31 N -1.20 -0.73 0.00 0.00 4.77 -1.25 -4.56 117.00 114.05 2flg n LEU 31 Ca 0.11 -0.66 0.12 0.00 -0.03 0.00 0.00 56.01 55.55 2flg n LEU 31 Cb 0.48 -0.90 0.62 0.00 -2.33 0.00 0.00 43.42 41.29 2flg n LEU 31 CO 0.48 -4.03 0.90 -0.11 -1.33 0.00 0.00 177.39 173.30 2flg n LEU 32 N -3.85 0.00 -1.41 2.23 0.00 -1.26 -2.82 117.00 109.89 2flg n LEU 32 Ca 0.10 0.25 -0.06 0.00 0.00 0.00 0.00 56.01 56.31 2flg n LEU 32 Cb 0.48 -0.25 0.22 0.00 0.00 0.00 0.00 43.42 43.86 2flg n LEU 32 CO 0.32 -0.05 0.85 0.59 0.00 0.00 0.00 177.39 179.10 2flg n ASN 33 N -1.25 3.18 -3.60 1.96 5.03 -1.26 -4.82 115.26 114.49 2flg n ASN 33 Ca 0.12 -3.57 -0.29 0.00 0.87 0.00 0.00 54.58 51.71 2flg n ASN 33 Cb 0.18 -0.67 -0.13 0.00 -1.02 0.00 0.00 39.78 38.14 2flg n ASN 33 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2flg s TYR 34 N -3.17 1.30 -0.67 3.10 1.51 -1.13 -2.36 117.35 115.93 2flg s TYR 34 Ca 0.48 -1.86 -0.27 0.00 -1.01 0.00 0.00 57.07 54.40 2flg s TYR 34 Cb 0.41 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 2flg s TYR 34 CO 0.05 -0.82 1.44 0.15 -1.11 0.00 0.00 175.55 175.26 2flg s LYS 35 N 0.99 3.09 -0.29 -0.62 1.02 -1.15 -4.70 119.74 118.09 2flg s LYS 35 Ca 0.16 0.12 -0.37 0.00 0.02 0.00 0.00 55.97 55.90 2flg s LYS 35 Cb -0.22 -4.21 -0.13 0.00 -0.52 0.00 0.00 37.83 32.75 2flg s LYS 35 CO -0.07 -2.23 2.03 0.94 -0.92 0.00 0.00 175.35 175.10 2flg n GLN 36 N 9.16 1.25 -0.10 1.68 -0.06 -1.26 -4.59 117.38 123.45 2flg n GLN 36 Ca 0.09 0.40 -0.22 0.00 -2.00 0.00 0.00 57.00 55.27 2flg n GLN 36 Cb 0.50 -2.38 -0.12 0.00 -4.06 0.00 0.00 30.24 24.18 2flg n GLN 36 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2flg n GLU 37 N 7.22 0.65 0.00 3.69 2.13 -1.26 -5.03 120.64 128.04 2flg n GLU 37 Ca 0.35 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2flg n GLU 37 Cb 0.21 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.34 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 1.92 1.76 2.45 8.31 0.00 -1.26 -5.03 105.19 113.34 2flg n GLY 38 Ca -0.44 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 3.39 -3.57 1.61 8.00 -1.26 -5.06 116.55 119.66 2flg n ASP 39 Ca 0.00 -3.11 -0.08 0.00 0.71 0.00 0.00 54.79 52.31 2flg n ASP 39 Cb 0.00 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 2flg n ASP 39 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2flg s LYS 40 N -3.55 0.51 0.30 -1.24 -2.85 -1.26 -5.15 119.74 106.50 2flg s LYS 40 Ca 0.40 -0.04 -0.29 0.00 -1.00 0.00 0.00 55.97 55.04 2flg s LYS 40 Cb 0.39 0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 36.31 2flg s LYS 40 CO -0.03 -0.19 1.17 0.00 0.10 0.00 0.00 175.35 176.39 2flg s VAL 42 N -1.17 -0.13 -0.75 0.00 -7.23 -1.26 -5.05 120.40 104.80 2flg s VAL 42 Ca 0.47 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 60.22 2flg s VAL 42 Cb -0.34 -0.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.92 2flg s VAL 42 CO 0.45 -0.27 2.18 -0.70 -0.31 0.00 0.00 175.10 176.44 2flg s GLU 43 N 2.17 2.14 -0.44 4.82 2.12 -1.26 -2.92 118.70 125.34 2flg s GLU 43 Ca 0.03 0.42 -0.18 0.00 0.36 0.00 0.00 54.97 55.59 2flg s GLU 43 Cb -0.16 -4.78 0.02 0.00 0.26 0.00 0.00 34.13 29.48 2flg s GLU 43 CO -0.10 -3.65 0.61 -1.71 -0.54 0.00 0.00 175.26 169.87 2flg n ASN 44 N 15.82 -7.67 -0.04 -1.70 4.05 -1.00 -4.95 115.26 119.77 2flg n ASN 44 Ca 0.39 0.44 -0.13 0.00 0.45 0.00 0.00 54.58 55.73 2flg n ASN 44 Cb 0.48 -4.96 -0.08 0.00 1.23 0.00 0.00 39.78 36.45 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 1.98 0.25 -2.60 1.20 0.13 -1.85 -3.48 132.00 127.64 2flg h PRO 45 Ca -0.07 -0.13 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2flg h PRO 45 Cb 1.05 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.05 2flg h PRO 45 CO 0.21 0.67 0.37 -0.80 -0.23 0.00 0.00 178.00 178.21 2flg s ASN 46 N -6.00 -0.44 0.24 1.44 0.01 -1.26 -5.05 114.94 103.87 2flg s ASN 46 Ca -0.15 -0.03 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2flg s ASN 46 Cb 0.04 0.49 0.26 0.00 0.41 0.00 0.00 41.25 42.45 2flg s ASN 46 CO 0.73 -0.79 1.60 1.55 -1.51 0.00 0.00 177.10 178.68 2flg h PRO 47 N 2.00 0.47 0.00 -0.60 0.13 -2.04 -3.51 132.00 128.45 2flg h PRO 47 Ca -0.27 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2flg h PRO 47 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2flg h PRO 47 CO 0.33 0.82 0.00 2.41 -0.23 0.00 0.00 178.00 181.33