#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 0.87 -0.38 1.53 2.07 -1.26 -5.11 121.20 118.92 2flg s ILE 2 Ca 0.00 -0.35 -0.03 0.00 -1.41 0.00 0.00 60.65 58.85 2flg s ILE 2 Cb 0.00 -0.80 0.09 0.00 0.13 0.00 0.00 42.46 41.88 2flg s ILE 2 CO 0.00 0.29 0.16 -0.55 -1.91 0.00 0.00 174.94 172.92 2flg s SER 3 N 0.56 5.22 0.19 4.50 0.15 -1.26 -5.08 113.70 117.98 2flg s SER 3 Ca -0.10 -1.75 0.02 0.00 0.70 0.00 0.00 55.95 54.82 2flg s SER 3 Cb -0.13 -1.82 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 2flg s SER 3 CO 0.02 -0.47 0.02 -1.10 1.20 0.00 0.00 173.24 172.91 2flg s GLN 4 N 1.21 1.18 1.14 5.44 -1.52 -1.26 -5.15 119.66 120.70 2flg s GLN 4 Ca 0.04 -1.58 -0.18 0.00 -1.95 0.00 0.00 55.36 51.69 2flg s GLN 4 Cb -0.22 -0.29 0.14 0.00 -0.22 0.00 0.00 33.01 32.43 2flg s GLN 4 CO -0.02 -0.16 0.16 -2.39 -0.25 0.00 0.00 175.29 172.63 2flg n HIS 5 N -0.29 -1.46 -3.90 0.91 1.44 -1.26 -5.05 115.22 105.61 2flg n HIS 5 Ca -0.05 0.07 -0.10 0.00 -2.01 0.00 0.00 57.72 55.62 2flg n HIS 5 Cb 0.64 -1.57 0.00 0.00 0.12 0.00 0.00 29.99 29.18 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 -3.60 2.11 0.05 -1.40 0.74 -1.26 -4.68 119.66 111.63 2flg s GLN 6 Ca 0.58 -1.51 -0.30 0.00 0.05 0.00 0.00 55.36 54.17 2flg s GLN 6 Cb -0.13 0.57 -0.05 0.00 1.10 0.00 0.00 33.01 34.50 2flg s GLN 6 CO 0.65 -0.96 1.05 0.00 -0.55 0.00 0.00 175.29 175.49 2flg n VAL 8 N 3.58 0.00 -2.34 0.00 3.14 -1.26 -4.69 118.33 116.77 2flg n VAL 8 Ca 0.06 -0.23 0.04 0.00 -2.96 0.00 0.00 64.34 61.24 2flg n VAL 8 Cb 0.49 0.67 0.06 0.00 -1.06 0.00 0.00 33.84 34.00 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 -1.39 0.46 -4.20 1.45 4.76 -1.26 -5.08 118.16 112.90 2flg n LYS 9 Ca -0.00 -2.37 -0.15 0.00 -2.87 0.00 0.00 58.31 52.92 2flg n LYS 9 Cb 0.08 -0.44 -0.11 0.00 -1.84 0.00 0.00 35.03 32.73 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 -0.89 0.90 0.00 1.97 2.47 -1.26 -5.10 119.74 117.83 2flg s LYS 10 Ca 0.35 -1.19 0.00 0.00 -1.56 0.00 0.00 55.97 53.56 2flg s LYS 10 Cb 0.38 -0.63 0.00 0.00 -1.46 0.00 0.00 37.83 36.12 2flg s LYS 10 CO -0.14 0.10 0.00 1.04 0.16 0.00 0.00 175.35 176.51 2flg n GLN 11 N 0.51 0.00 -1.24 4.03 6.02 -1.26 -4.98 117.38 120.46 2flg n GLN 11 Ca -0.16 0.15 0.07 0.00 -0.01 0.00 0.00 57.00 57.05 2flg n GLN 11 Cb 0.58 -0.57 -0.04 0.00 1.02 0.00 0.00 30.24 31.23 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 0.29 0.00 0.00 0.04 -1.26 -4.96 135.00 124.44 2flg s PRO 13 Ca 0.00 0.48 0.27 0.00 0.04 0.00 0.00 61.00 61.78 2flg s PRO 13 Cb 0.00 -1.72 0.80 0.00 0.04 0.00 0.00 34.50 33.62 2flg s PRO 13 CO 0.00 -2.82 1.60 0.94 0.04 0.00 0.00 177.00 176.76 2flg n GLN 14 N -4.23 1.73 -0.54 4.56 7.27 -1.26 -3.85 117.38 121.06 2flg n GLN 14 Ca 0.05 -1.14 0.05 0.00 0.07 0.00 0.00 57.00 56.03 2flg n GLN 14 Cb 0.57 -1.48 0.25 0.00 2.41 0.00 0.00 30.24 32.00 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 0.36 3.65 -4.23 1.69 4.13 -1.26 -5.00 115.26 114.60 2flg n ASN 15 Ca 0.17 -3.18 -0.14 0.00 1.68 0.00 0.00 54.58 53.11 2flg n ASN 15 Cb 0.41 -0.57 -0.10 0.00 -1.54 0.00 0.00 39.78 37.98 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 -2.02 0.60 -0.59 6.41 0.01 -1.25 -3.88 113.70 112.99 2flg s SER 16 Ca 0.43 -1.40 0.06 0.00 1.31 0.00 0.00 55.95 56.35 2flg s SER 16 Cb 0.36 0.30 0.30 0.00 0.21 0.00 0.00 66.02 67.19 2flg s SER 16 CO 0.07 -0.80 0.86 0.61 0.41 0.00 0.00 173.24 174.39 2flg n GLY 17 N -0.36 5.19 3.25 3.44 0.00 0.13 -4.70 105.19 112.14 2flg n GLY 17 Ca 0.01 -2.72 -0.34 0.00 0.00 0.00 0.00 46.02 42.98 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 -0.24 -0.42 0.00 -0.71 -1.24 -4.58 117.98 108.57 2flg s PHE 19 Ca 0.51 0.59 -0.24 0.00 -1.04 0.00 0.00 56.93 56.75 2flg s PHE 19 Cb -0.13 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 42.12 2flg s PHE 19 CO 0.69 -0.12 0.84 0.50 -1.34 0.00 0.00 175.22 175.79 2flg s ARG 20 N 0.19 3.60 1.30 1.99 3.52 -1.26 -1.58 118.95 126.72 2flg s ARG 20 Ca 0.05 0.18 -0.20 0.00 -0.13 0.00 0.00 55.73 55.62 2flg s ARG 20 Cb -0.05 -3.88 0.31 0.00 -1.56 0.00 0.00 34.95 29.77 2flg s ARG 20 CO -0.12 -1.04 0.70 0.72 -0.81 0.00 0.00 175.30 174.76 2flg n HIS 21 N 6.75 -3.13 0.24 5.12 8.25 0.75 -4.75 115.22 128.46 2flg n HIS 21 Ca 0.04 -0.50 0.12 0.00 -0.26 0.00 0.00 57.72 57.13 2flg n HIS 21 Cb 0.48 -1.38 0.57 0.00 1.12 0.00 0.00 29.99 30.77 2flg n HIS 21 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2flg h LEU 22 N -3.27 0.00 -3.51 2.41 -0.00 -1.96 -2.65 115.31 106.33 2flg h LEU 22 Ca -0.36 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.21 2flg h LEU 22 Cb 1.14 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 41.62 2flg h LEU 22 CO 0.23 0.15 0.38 -0.67 -0.00 0.00 0.00 178.44 178.53 2flg n ASP 23 N -3.33 4.04 -3.47 -0.43 2.03 -1.26 -4.87 116.55 109.25 2flg n ASP 23 Ca -0.00 -3.17 -0.24 0.00 0.52 0.00 0.00 54.79 51.90 2flg n ASP 23 Cb 0.37 -0.75 0.06 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 -0.45 -6.89 -3.85 -0.67 1.02 -1.00 -4.97 120.64 103.84 2flg n GLU 24 Ca 0.42 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 58.03 2flg n GLU 24 Cb 1.35 -5.81 -0.13 0.00 -0.02 0.00 0.00 31.44 26.83 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 -6.18 2.14 0.11 3.49 3.52 -1.25 -4.84 118.95 115.93 2flg s ARG 25 Ca 0.52 -1.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.23 2flg s ARG 25 Cb -0.23 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 29.71 2flg s ARG 25 CO 0.64 -0.87 1.03 -1.21 -0.81 0.00 0.00 175.30 174.08 2flg s GLU 26 N 1.17 4.62 -0.39 5.12 8.01 -1.26 -0.17 118.70 135.79 2flg s GLU 26 Ca 0.03 1.57 0.01 0.00 0.01 0.00 0.00 54.97 56.59 2flg s GLU 26 Cb -0.21 -3.35 0.12 0.00 -4.31 0.00 0.00 34.13 26.38 2flg s GLU 26 CO -0.03 0.08 0.19 -2.00 0.01 0.00 0.00 175.26 173.51 2flg s GLU 27 N 0.13 1.09 -1.16 1.61 2.12 -0.61 -4.94 118.70 116.93 2flg s GLU 27 Ca 0.50 -1.70 -0.21 0.00 0.36 0.00 0.00 54.97 53.91 2flg s GLU 27 Cb -0.26 -2.22 -0.07 0.00 0.26 0.00 0.00 34.13 31.85 2flg s GLU 27 CO 0.31 -1.10 1.90 0.00 -0.54 0.00 0.00 175.26 175.83 2flg s LYS 29 N 5.75 3.20 0.57 0.00 -2.85 -1.26 -4.84 119.74 120.30 2flg s LYS 29 Ca 0.64 -0.36 -0.19 0.00 -1.00 0.00 0.00 55.97 55.06 2flg s LYS 29 Cb 0.03 -2.96 -0.07 0.00 -2.06 0.00 0.00 37.83 32.77 2flg s LYS 29 CO 0.12 0.70 0.83 0.00 0.10 0.00 0.00 175.35 177.09 2flg n LEU 31 N -0.24 0.00 0.00 0.00 4.77 -1.25 -4.49 117.00 115.79 2flg n LEU 31 Ca 0.13 -0.68 0.13 0.00 -0.03 0.00 0.00 56.01 55.55 2flg n LEU 31 Cb 0.46 -0.86 0.66 0.00 -2.33 0.00 0.00 43.42 41.35 2flg n LEU 31 CO 0.51 -2.64 0.93 0.18 -1.33 0.00 0.00 177.39 175.03 2flg n LEU 32 N 0.00 0.00 -1.45 2.23 7.99 -1.26 -2.98 117.00 121.53 2flg n LEU 32 Ca 0.11 0.25 -0.11 0.00 -0.01 0.00 0.00 56.01 56.25 2flg n LEU 32 Cb 0.47 -0.25 0.18 0.00 -0.11 0.00 0.00 43.42 43.70 2flg n LEU 32 CO 0.31 -0.04 0.78 0.59 -1.51 0.00 0.00 177.39 177.51 2flg n ASN 33 N -1.25 3.13 -3.71 -1.43 3.02 -1.26 -4.91 115.26 108.85 2flg n ASN 33 Ca 0.13 -3.77 -0.26 0.00 -0.03 0.00 0.00 54.58 50.65 2flg n ASN 33 Cb 0.19 -0.66 -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 -3.33 0.71 -1.12 3.10 1.51 -1.16 -2.92 117.35 114.15 2flg s TYR 34 Ca 0.48 -0.53 -0.21 0.00 -1.01 0.00 0.00 57.07 55.80 2flg s TYR 34 Cb 0.42 -0.87 0.06 0.00 -0.11 0.00 0.00 41.96 41.46 2flg s TYR 34 CO 0.01 -0.50 1.56 0.15 -1.11 0.00 0.00 175.55 175.66 2flg s LYS 35 N 1.96 3.71 -0.58 -0.62 -0.14 -0.93 -4.80 119.74 118.34 2flg s LYS 35 Ca 0.01 -1.42 -0.32 0.00 -1.36 0.00 0.00 55.97 52.89 2flg s LYS 35 Cb -0.16 -5.42 -0.14 0.00 -1.68 0.00 0.00 37.83 30.44 2flg s LYS 35 CO -0.07 -2.25 2.40 0.94 -0.76 0.00 0.00 175.35 175.60 2flg n GLN 36 N 8.72 0.70 0.22 1.68 7.27 -1.26 -4.50 117.38 130.21 2flg n GLN 36 Ca 0.39 0.11 -0.14 0.00 0.07 0.00 0.00 57.00 57.42 2flg n GLN 36 Cb 0.49 -2.41 -0.08 0.00 2.41 0.00 0.00 30.24 30.65 2flg n GLN 36 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2flg h GLU 37 N 14.11 -0.54 0.00 3.69 4.81 -1.92 -3.47 114.58 131.26 2flg h GLU 37 Ca -0.19 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2flg h GLU 37 Cb 1.31 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2flg h GLU 37 CO 1.17 -0.25 0.00 0.41 -0.73 0.00 0.00 179.01 179.60 2flg n GLY 38 N -0.68 -1.28 2.04 1.92 0.00 -1.26 -4.99 105.19 100.93 2flg n GLY 38 Ca -0.11 0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.99 1.20 -3.48 1.61 8.00 -1.26 -5.09 116.55 114.53 2flg n ASP 39 Ca 0.00 -2.01 -0.12 0.00 0.71 0.00 0.00 54.79 53.37 2flg n ASP 39 Cb 0.00 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 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 -1.52 1.00 0.18 -1.24 -2.85 -1.26 -5.17 119.74 108.87 2flg s LYS 40 Ca 0.31 -0.21 -0.07 0.00 -1.00 0.00 0.00 55.97 55.00 2flg s LYS 40 Cb 0.36 0.46 -0.06 0.00 -2.06 0.00 0.00 37.83 36.53 2flg s LYS 40 CO -0.12 -0.41 0.45 0.00 0.10 0.00 0.00 175.35 175.37 2flg s VAL 42 N -1.71 -0.67 -0.73 0.00 -7.23 -1.26 -4.99 120.40 103.81 2flg s VAL 42 Ca 0.43 -0.14 -0.26 0.00 -1.81 0.00 0.00 61.98 60.21 2flg s VAL 42 Cb -0.12 -0.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 2flg s VAL 42 CO 0.23 -0.16 2.25 -1.83 -0.31 0.00 0.00 175.10 175.28 2flg s GLU 43 N 2.59 2.03 -0.38 4.82 -1.05 -1.26 -2.19 118.70 123.25 2flg s GLU 43 Ca 0.12 0.55 -0.21 0.00 -0.15 0.00 0.00 54.97 55.28 2flg s GLU 43 Cb -0.14 -4.75 0.03 0.00 -0.44 0.00 0.00 34.13 28.82 2flg s GLU 43 CO -0.22 -3.77 0.50 -1.71 0.95 0.00 0.00 175.26 171.02 2flg n ASN 44 N 16.39 -7.02 -0.11 0.83 4.05 -1.15 -4.91 115.26 123.34 2flg n ASN 44 Ca 0.40 0.40 -0.12 0.00 0.45 0.00 0.00 54.58 55.71 2flg n ASN 44 Cb 0.48 -3.80 -0.00 0.00 1.23 0.00 0.00 39.78 37.68 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 2.30 0.90 -3.48 1.20 0.13 -1.91 -3.47 132.00 127.67 2flg h PRO 45 Ca -0.19 -0.47 -0.06 0.00 -0.87 0.00 0.00 66.00 64.41 2flg h PRO 45 Cb 1.02 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.04 2flg h PRO 45 CO 0.18 1.12 -0.12 -0.80 -0.23 0.00 0.00 178.00 178.14 2flg s ASN 46 N -6.84 -0.16 0.20 1.44 0.01 -1.26 -5.06 114.94 103.27 2flg s ASN 46 Ca -0.11 -0.41 -0.03 0.00 -0.71 0.00 0.00 52.86 51.60 2flg s ASN 46 Cb 0.11 0.46 0.15 0.00 0.41 0.00 0.00 41.25 42.39 2flg s ASN 46 CO 0.88 -0.85 1.56 1.55 -1.51 0.00 0.00 177.10 178.72 2flg h PRO 47 N 2.42 0.63 -0.03 -0.60 0.13 -2.03 -3.52 132.00 129.01 2flg h PRO 47 Ca -0.33 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2flg h PRO 47 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2flg h PRO 47 CO 0.48 0.94 0.00 0.25 -0.23 0.00 0.00 178.00 179.43