#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 1.12 -0.03 1.53 0.13 -1.26 -4.95 119.36 115.90 2flg n ILE 2 Ca 0.00 -0.28 -0.01 0.00 -1.10 0.00 0.00 62.75 61.36 2flg n ILE 2 Cb 0.00 -1.60 -0.00 0.00 -0.84 0.00 0.00 39.64 37.19 2flg n ILE 2 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 2flg h SER 3 N 4.10 0.00 -5.59 9.51 0.87 -2.08 -3.50 113.55 116.87 2flg h SER 3 Ca -0.46 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 59.84 2flg h SER 3 Cb 1.26 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.10 2flg h SER 3 CO 0.75 0.31 -0.43 0.00 -0.53 0.00 0.00 176.83 176.92 2flg s GLN 4 N -1.41 1.50 1.06 2.24 0.00 -1.26 -5.15 119.66 116.64 2flg s GLN 4 Ca -0.03 -1.67 -0.17 0.00 -0.00 0.00 0.00 55.36 53.49 2flg s GLN 4 Cb 0.00 0.35 0.08 0.00 0.00 0.00 0.00 33.01 33.44 2flg s GLN 4 CO 0.04 -0.56 0.13 -2.39 0.00 0.00 0.00 175.29 172.50 2flg n HIS 5 N -0.42 -1.48 -3.83 9.60 1.44 -1.26 -5.04 115.22 114.23 2flg n HIS 5 Ca 0.02 0.17 -0.10 0.00 -2.01 0.00 0.00 57.72 55.81 2flg n HIS 5 Cb 0.64 -1.64 -0.01 0.00 0.12 0.00 0.00 29.99 29.10 2flg n HIS 5 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2flg n GLN 6 N -1.85 0.58 -3.16 -1.40 10.64 -1.26 -4.53 117.38 116.39 2flg n GLN 6 Ca 0.03 -1.91 -0.39 0.00 -1.83 0.00 0.00 57.00 52.89 2flg n GLN 6 Cb 0.59 1.95 -0.06 0.00 -0.86 0.00 0.00 30.24 31.87 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 4.29 0.00 -2.40 0.00 0.24 -1.26 -4.73 118.33 114.47 2flg n VAL 8 Ca -0.03 -0.44 0.02 0.00 -2.04 0.00 0.00 64.34 61.85 2flg n VAL 8 Cb 0.50 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 -0.58 0.00 -3.77 7.34 4.76 -1.26 -5.08 118.16 119.57 2flg n LYS 9 Ca 0.00 -1.79 -0.14 0.00 -2.87 0.00 0.00 58.31 53.51 2flg n LYS 9 Cb 0.01 0.07 -0.14 0.00 -1.84 0.00 0.00 35.03 33.13 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 0.07 -0.10 1.97 2.47 -1.26 -5.14 119.74 117.75 2flg s LYS 10 Ca 0.27 0.27 -0.26 0.00 -1.56 0.00 0.00 55.97 54.69 2flg s LYS 10 Cb 0.31 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.51 2flg s LYS 10 CO -0.14 -0.13 0.85 -0.65 0.16 0.00 0.00 175.35 175.44 2flg s GLN 11 N 0.89 4.41 0.05 4.03 -0.21 -1.26 -4.93 119.66 122.64 2flg s GLN 11 Ca -0.07 1.11 0.01 0.00 0.02 0.00 0.00 55.36 56.42 2flg s GLN 11 Cb -0.09 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.37 2flg s GLN 11 CO -0.04 -0.16 -0.05 0.00 -2.12 0.00 0.00 175.29 172.92 2flg s PRO 13 N -2.79 0.38 0.00 0.00 0.04 -1.26 -4.96 135.00 126.41 2flg s PRO 13 Ca -0.01 0.51 0.27 0.00 0.04 0.00 0.00 61.00 61.81 2flg s PRO 13 Cb -0.01 -1.73 0.94 0.00 0.04 0.00 0.00 34.50 33.73 2flg s PRO 13 CO -0.04 -2.77 1.68 1.04 0.04 0.00 0.00 177.00 176.95 2flg n GLN 14 N -4.20 1.40 -0.25 4.56 3.00 -1.26 -3.64 117.38 116.99 2flg n GLN 14 Ca 0.05 -0.82 0.08 0.00 -0.01 0.00 0.00 57.00 56.30 2flg n GLN 14 Cb 0.57 -1.48 0.22 0.00 0.00 0.00 0.00 30.24 29.55 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 -0.08 3.35 -4.14 1.08 4.13 -1.26 -4.96 115.26 113.38 2flg n ASN 15 Ca 0.17 -1.99 -0.18 0.00 1.68 0.00 0.00 54.58 54.26 2flg n ASN 15 Cb 0.36 -0.33 -0.13 0.00 -1.54 0.00 0.00 39.78 38.14 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 -1.01 1.53 -1.03 6.41 0.01 -1.24 -3.46 113.70 114.91 2flg s SER 16 Ca 0.34 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 2flg s SER 16 Cb 0.18 -0.06 0.31 0.00 0.21 0.00 0.00 66.02 66.66 2flg s SER 16 CO 0.23 -0.04 1.63 0.61 0.41 0.00 0.00 173.24 176.08 2flg n GLY 17 N 1.62 5.68 3.25 3.44 0.00 0.84 -4.77 105.19 115.25 2flg n GLY 17 Ca -0.20 -2.63 -0.34 0.00 0.00 0.00 0.00 46.02 42.85 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 -0.38 0.00 -0.71 -1.24 -4.67 117.98 108.52 2flg s PHE 19 Ca 0.52 0.56 -0.24 0.00 -1.04 0.00 0.00 56.93 56.73 2flg s PHE 19 Cb -0.12 0.39 0.01 0.00 -1.21 0.00 0.00 43.02 42.09 2flg s PHE 19 CO 0.68 -0.12 0.82 0.50 -1.34 0.00 0.00 175.22 175.77 2flg s ARG 20 N 0.31 3.72 1.41 1.99 3.52 -1.25 -1.85 118.95 126.82 2flg s ARG 20 Ca 0.03 0.32 -0.23 0.00 -0.13 0.00 0.00 55.73 55.72 2flg s ARG 20 Cb -0.05 -3.83 0.36 0.00 -1.56 0.00 0.00 34.95 29.87 2flg s ARG 20 CO -0.12 -0.92 0.81 0.72 -0.81 0.00 0.00 175.30 174.98 2flg n HIS 21 N 6.57 -3.60 0.24 5.12 8.25 0.73 -4.68 115.22 127.85 2flg n HIS 21 Ca 0.04 -0.70 0.12 0.00 -0.26 0.00 0.00 57.72 56.92 2flg n HIS 21 Cb 0.48 -1.35 0.50 0.00 1.12 0.00 0.00 29.99 30.75 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 -3.54 0.00 -3.43 2.41 -0.00 -1.96 -2.76 115.31 106.03 2flg h LEU 22 Ca -0.37 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.26 2flg h LEU 22 Cb 1.24 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.75 2flg h LEU 22 CO 0.22 0.16 0.31 0.47 -0.00 0.00 0.00 178.44 179.60 2flg n ASP 23 N -3.30 4.17 -3.40 -0.43 8.00 -1.26 -4.88 116.55 115.46 2flg n ASP 23 Ca 0.00 -3.09 -0.23 0.00 0.71 0.00 0.00 54.79 52.18 2flg n ASP 23 Cb 0.40 -0.73 0.07 0.00 -0.02 0.00 0.00 41.12 40.84 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 -0.28 -7.14 -3.86 -1.24 1.02 -1.04 -4.97 120.64 103.12 2flg n GLU 24 Ca 0.38 0.83 -0.35 0.00 -0.02 0.00 0.00 57.16 58.00 2flg n GLU 24 Cb 1.29 -5.80 -0.13 0.00 -0.02 0.00 0.00 31.44 26.79 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 -6.15 2.12 0.08 3.49 3.52 -1.25 -4.85 118.95 115.91 2flg s ARG 25 Ca 0.51 -1.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.23 2flg s ARG 25 Cb -0.23 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 2flg s ARG 25 CO 0.63 -0.87 0.92 -1.21 -0.81 0.00 0.00 175.30 173.97 2flg s GLU 26 N 1.16 4.64 -0.35 5.12 2.02 -1.26 -0.19 118.70 129.84 2flg s GLU 26 Ca 0.03 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.38 2flg s GLU 26 Cb -0.21 -3.38 0.11 0.00 0.10 0.00 0.00 34.13 30.75 2flg s GLU 26 CO -0.03 0.19 0.15 -2.00 0.02 0.00 0.00 175.26 173.59 2flg s GLU 27 N 0.12 0.89 -1.19 1.61 2.56 -0.77 -4.95 118.70 116.97 2flg s GLU 27 Ca 0.46 -1.39 -0.22 0.00 0.00 0.00 0.00 54.97 53.82 2flg s GLU 27 Cb -0.22 -2.07 -0.06 0.00 2.00 0.00 0.00 34.13 33.78 2flg s GLU 27 CO 0.28 -1.06 1.90 0.00 -0.56 0.00 0.00 175.26 175.83 2flg s LYS 29 N 5.89 3.49 0.50 0.00 -2.85 -1.26 -4.84 119.74 120.67 2flg s LYS 29 Ca 0.65 -0.25 -0.23 0.00 -1.00 0.00 0.00 55.97 55.14 2flg s LYS 29 Cb 0.02 -3.06 -0.07 0.00 -2.06 0.00 0.00 37.83 32.65 2flg s LYS 29 CO 0.12 0.64 1.20 0.00 0.10 0.00 0.00 175.35 177.41 2flg n LEU 31 N -0.34 -0.98 0.00 0.00 4.77 -1.22 -4.50 117.00 114.73 2flg n LEU 31 Ca 0.10 -0.57 0.10 0.00 -0.03 0.00 0.00 56.01 55.61 2flg n LEU 31 Cb 0.43 -0.91 0.50 0.00 -2.33 0.00 0.00 43.42 41.10 2flg n LEU 31 CO 0.55 -3.85 0.83 0.18 -1.33 0.00 0.00 177.39 173.77 2flg n LEU 32 N -3.53 0.00 -1.67 2.23 4.77 -1.26 -2.65 117.00 114.90 2flg n LEU 32 Ca 0.09 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.32 2flg n LEU 32 Cb 0.48 -0.35 0.23 0.00 -2.33 0.00 0.00 43.42 41.45 2flg n LEU 32 CO 0.35 -0.11 0.96 0.59 -1.33 0.00 0.00 177.39 177.85 2flg n ASN 33 N -1.35 3.59 -3.67 -1.43 3.02 -1.26 -4.83 115.26 109.32 2flg n ASN 33 Ca 0.08 -3.51 -0.29 0.00 -0.03 0.00 0.00 54.58 50.83 2flg n ASN 33 Cb 0.19 -0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 38.49 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 -3.16 1.23 -0.90 3.10 1.51 -1.08 -3.06 117.35 114.99 2flg s TYR 34 Ca 0.51 -1.43 0.16 0.00 -1.01 0.00 0.00 57.07 55.30 2flg s TYR 34 Cb 0.43 -1.43 0.66 0.00 -0.11 0.00 0.00 41.96 41.52 2flg s TYR 34 CO 0.08 -0.85 1.49 0.36 -1.11 0.00 0.00 175.55 175.51 2flg n LYS 35 N 4.99 0.04 -1.20 -0.62 2.85 -1.21 -4.81 118.16 118.20 2flg n LYS 35 Ca -0.04 0.30 0.07 0.00 -1.05 0.00 0.00 58.31 57.60 2flg n LYS 35 Cb 0.42 -1.57 -0.04 0.00 -0.65 0.00 0.00 35.03 33.19 2flg n LYS 35 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2flg n GLN 36 N -1.65 -2.95 0.04 -1.58 7.27 -1.26 -4.97 117.38 112.28 2flg n GLN 36 Ca 0.03 2.35 0.00 0.00 0.07 0.00 0.00 57.00 59.46 2flg n GLN 36 Cb 0.17 -3.15 0.00 0.00 2.41 0.00 0.00 30.24 29.68 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 -3.17 0.00 -3.15 3.69 2.13 -1.22 -4.83 120.64 114.09 2flg n GLU 37 Ca -0.04 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.83 2flg n GLU 37 Cb 0.47 -0.17 -0.00 0.00 0.27 0.00 0.00 31.44 32.01 2flg n GLU 37 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2flg s GLY 38 N -3.79 -1.04 -1.19 8.31 0.00 -1.26 -4.95 107.32 103.39 2flg s GLY 38 Ca 0.00 1.72 -0.04 0.00 0.00 0.00 0.00 44.72 46.40 2flg s GLY 38 CO 0.00 3.91 0.50 1.34 0.00 0.00 0.00 173.10 178.85 2flg n ASP 39 N 5.25 -5.10 -3.61 1.64 2.03 -1.26 -4.97 116.55 110.54 2flg n ASP 39 Ca 0.07 -0.23 -0.01 0.00 0.52 0.00 0.00 54.79 55.14 2flg n ASP 39 Cb 0.56 -3.94 -0.01 0.00 -0.72 0.00 0.00 41.12 37.01 2flg n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2flg s LYS 40 N -5.46 0.31 -0.16 -0.67 -2.85 -1.26 -5.16 119.74 104.50 2flg s LYS 40 Ca 0.25 -0.15 -0.07 0.00 -1.00 0.00 0.00 55.97 54.99 2flg s LYS 40 Cb -0.11 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2flg s LYS 40 CO 0.30 -0.14 0.10 0.00 0.10 0.00 0.00 175.35 175.72 2flg s VAL 42 N -0.25 1.76 -1.19 0.00 -7.23 -1.26 -4.94 120.40 107.29 2flg s VAL 42 Ca 0.10 -1.03 -0.22 0.00 -1.81 0.00 0.00 61.98 59.02 2flg s VAL 42 Cb -0.12 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 34.98 2flg s VAL 42 CO 0.01 0.24 1.90 -1.84 -0.31 0.00 0.00 175.10 175.10 2flg n GLU 43 N 4.65 1.92 -3.30 4.82 0.28 -1.26 -3.36 120.64 124.39 2flg n GLU 43 Ca -0.16 -2.60 -0.20 0.00 -0.16 0.00 0.00 57.16 54.05 2flg n GLU 43 Cb 0.47 -3.64 0.02 0.00 1.43 0.00 0.00 31.44 29.72 2flg n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2flg n ASN 44 N 12.74 -6.48 0.12 -1.84 4.05 -1.17 -4.85 115.26 117.84 2flg n ASN 44 Ca 0.46 -0.13 0.12 0.00 0.45 0.00 0.00 54.58 55.48 2flg n ASN 44 Cb 0.46 -3.40 0.48 0.00 1.23 0.00 0.00 39.78 38.55 2flg n ASN 44 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2flg n PRO 45 N -1.06 0.18 -3.41 1.20 -0.04 -1.26 -3.77 135.00 126.85 2flg n PRO 45 Ca -0.07 0.41 -0.26 0.00 -0.04 0.00 0.00 63.50 63.55 2flg n PRO 45 Cb 0.59 -1.85 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 2flg n PRO 45 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2flg n ASN 46 N -2.19 2.63 -4.55 3.54 2.85 -1.26 -5.06 115.26 111.22 2flg n ASN 46 Ca 0.02 -3.19 -0.38 0.00 -0.11 0.00 0.00 54.58 50.92 2flg n ASN 46 Cb 0.22 -0.67 -0.03 0.00 1.24 0.00 0.00 39.78 40.55 2flg n ASN 46 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2flg s PRO 47 N -1.97 2.62 0.00 1.20 0.04 -1.25 -5.23 135.00 130.41 2flg s PRO 47 Ca 0.37 0.55 0.26 0.00 0.04 0.00 0.00 61.00 62.22 2flg s PRO 47 Cb 0.13 -4.43 0.68 0.00 0.04 0.00 0.00 34.50 30.92 2flg s PRO 47 CO -0.06 -2.78 1.54 0.25 0.04 0.00 0.00 177.00 175.99