#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3i h SER 2 N 0.00 0.00 -3.20 0.00 0.02 -2.00 -3.13 113.55 105.25 2w3i h SER 2 Ca 0.00 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.19 2w3i h SER 2 Cb 0.43 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.73 2w3i h SER 2 CO 0.00 0.00 -0.12 -0.22 -1.14 0.00 0.00 176.83 175.35 2w3i s LEU 3 N -5.51 6.20 -1.48 5.07 0.20 -0.70 -4.61 118.68 117.86 2w3i s LEU 3 Ca 0.05 -1.92 -0.05 0.00 0.69 0.00 0.00 54.13 52.90 2w3i s LEU 3 Cb 0.09 -2.22 0.04 0.00 -0.43 0.00 0.00 46.19 43.67 2w3i s LEU 3 CO 0.55 -0.84 0.56 -0.67 -0.29 0.00 0.00 176.35 175.66 2w3i n ASP 4 N 5.14 -1.35 -2.20 3.68 2.03 -1.26 -1.01 116.55 121.57 2w3i n ASP 4 Ca -0.08 -0.98 -0.20 0.00 0.52 0.00 0.00 54.79 54.05 2w3i n ASP 4 Cb 0.42 -3.11 -0.03 0.00 -0.72 0.00 0.00 41.12 37.68 2w3i n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2w3i n ASN 5 N -2.91 -5.62 -0.69 1.67 5.15 -1.18 -1.70 115.26 109.98 2w3i n ASN 5 Ca -0.20 0.12 -0.09 0.00 -0.60 0.00 0.00 54.58 53.81 2w3i n ASN 5 Cb 0.63 -4.75 -0.04 0.00 -0.53 0.00 0.00 39.78 35.09 2w3i n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2w3i n GLY 6 N -0.84 0.93 2.35 8.20 0.00 -0.18 -1.94 105.19 113.71 2w3i n GLY 6 Ca -0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 2w3i n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w3i n ASP 7 N -0.79 -4.09 -4.82 1.61 2.03 -0.69 -4.97 116.55 104.82 2w3i n ASP 7 Ca -0.09 0.02 -0.33 0.00 0.52 0.00 0.00 54.79 54.92 2w3i n ASP 7 Cb 0.49 -1.66 -0.03 0.00 -0.72 0.00 0.00 41.12 39.19 2w3i n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2w3i h ASP 9 N 1.12 0.81 0.00 0.00 5.19 -1.56 -3.48 116.42 118.51 2w3i h ASP 9 Ca -0.48 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 55.45 2w3i h ASP 9 Cb 1.19 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2w3i h ASP 9 CO 0.60 1.26 0.00 0.00 -3.12 0.00 0.00 179.24 177.98 2w3i n GLN 10 N -3.95 0.00 -2.24 3.56 6.02 -1.26 -5.00 117.38 114.51 2w3i n GLN 10 Ca -0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.55 2w3i n GLN 10 Cb 0.68 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.92 2w3i n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2w3i s PHE 11 N 2.61 3.05 -0.06 1.08 0.08 -0.60 -4.89 117.98 119.25 2w3i s PHE 11 Ca 0.00 1.52 0.01 0.00 0.12 0.00 0.00 56.93 58.59 2w3i s PHE 11 Cb 0.00 -3.46 0.02 0.00 -0.57 0.00 0.00 43.02 39.00 2w3i s PHE 11 CO 0.00 -1.46 -0.08 0.00 -0.10 0.00 0.00 175.22 173.58 2w3i s HIS 13 N 0.86 1.45 -0.41 0.00 3.76 0.09 -4.98 115.29 116.04 2w3i s HIS 13 Ca -0.12 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.24 2w3i s HIS 13 Cb -0.15 -0.81 0.05 0.00 1.11 0.00 0.00 32.58 32.78 2w3i s HIS 13 CO 0.01 0.11 0.26 -1.21 -0.85 0.00 0.00 174.74 173.07 2w3i s GLU 14 N -1.74 2.79 -0.19 1.40 2.02 -1.26 0.23 118.70 121.95 2w3i s GLU 14 Ca 0.02 -1.25 -0.02 0.00 0.02 0.00 0.00 54.97 53.74 2w3i s GLU 14 Cb -0.10 -3.84 -0.00 0.00 0.10 0.00 0.00 34.13 30.29 2w3i s GLU 14 CO 0.03 -0.85 -0.10 -1.21 0.02 0.00 0.00 175.26 173.16 2w3i s GLU 15 N 1.54 3.30 -1.43 1.61 2.02 0.75 -4.59 118.70 121.90 2w3i s GLU 15 Ca 0.03 -0.68 -0.09 0.00 0.02 0.00 0.00 54.97 54.25 2w3i s GLU 15 Cb -0.21 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.21 2w3i s GLU 15 CO 0.05 -0.10 1.02 1.04 0.02 0.00 0.00 175.26 177.30 2w3i n GLN 16 N 4.45 -6.85 -2.83 1.61 6.02 -1.26 -1.66 117.38 116.86 2w3i n GLN 16 Ca -0.19 0.80 -0.21 0.00 -0.01 0.00 0.00 57.00 57.39 2w3i n GLN 16 Cb 0.51 -5.78 0.01 0.00 1.02 0.00 0.00 30.24 26.00 2w3i n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2w3i n ASN 17 N -2.87 -5.64 -4.07 1.08 2.85 -1.26 -5.00 115.26 100.35 2w3i n ASN 17 Ca -0.01 -0.18 -0.12 0.00 -0.11 0.00 0.00 54.58 54.17 2w3i n ASN 17 Cb 0.57 -4.62 -0.11 0.00 1.24 0.00 0.00 39.78 36.85 2w3i n ASN 17 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2w3i s SER 18 N -2.46 0.80 0.15 1.20 0.15 -0.67 -5.06 113.70 107.81 2w3i s SER 18 Ca 0.20 -0.64 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 2w3i s SER 18 Cb -0.09 0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 64.21 2w3i s SER 18 CO 0.25 -0.28 1.09 -0.69 1.20 0.00 0.00 173.24 174.81 2w3i s VAL 19 N -1.89 4.01 -0.14 4.45 1.01 -1.26 -0.18 120.40 126.40 2w3i s VAL 19 Ca -0.06 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2w3i s VAL 19 Cb -0.07 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2w3i s VAL 19 CO -0.01 0.26 -0.11 0.54 0.00 0.00 0.00 175.10 175.77 2w3i s VAL 20 N 0.00 1.38 0.15 2.92 0.11 0.14 -4.88 120.40 120.21 2w3i s VAL 20 Ca 0.50 -0.54 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 2w3i s VAL 20 Cb -0.28 -1.34 -0.06 0.00 -1.53 0.00 0.00 36.38 33.16 2w3i s VAL 20 CO 0.33 0.40 0.43 0.00 -3.33 0.00 0.00 175.10 172.92 2w3i s SER 22 N -2.27 1.05 0.06 0.00 1.04 -0.47 -4.93 113.70 108.18 2w3i s SER 22 Ca 0.41 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 55.31 2w3i s SER 22 Cb -0.12 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 2w3i s SER 22 CO 0.22 -1.21 -0.05 0.00 0.98 0.00 0.00 173.24 173.18 2w3i s ALA 24 N -2.88 0.73 0.33 0.00 0.00 -1.26 -4.90 121.76 113.78 2w3i s ALA 24 Ca 0.02 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2w3i s ALA 24 Cb 0.00 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 2w3i s ALA 24 CO -0.04 -3.00 1.55 -2.13 0.00 0.00 0.00 175.76 172.13 2w3i n ARG 25 N -4.30 2.69 -0.48 0.00 0.63 -1.26 -2.32 116.66 111.63 2w3i n ARG 25 Ca 0.05 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 2w3i n ARG 25 Cb 0.57 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.77 2w3i n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2w3i n GLY 26 N 1.40 0.75 3.41 5.14 0.00 -1.26 -4.63 105.19 110.00 2w3i n GLY 26 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2w3i n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w3i s TYR 27 N -2.69 2.31 0.06 1.61 1.51 -0.98 -1.07 117.35 118.11 2w3i s TYR 27 Ca 0.00 -0.36 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 2w3i s TYR 27 Cb 0.00 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.63 2w3i s TYR 27 CO 0.00 0.44 -0.25 0.95 -1.11 0.00 0.00 175.55 175.58 2w3i s THR 28 N -1.44 2.05 0.02 -0.71 -4.23 0.63 -4.81 115.64 107.14 2w3i s THR 28 Ca 0.18 -1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 58.96 2w3i s THR 28 Cb -0.09 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 2w3i s THR 28 CO 0.08 0.26 1.21 -0.22 -0.54 0.00 0.00 174.62 175.42 2w3i s LEU 29 N -1.41 4.34 1.18 4.79 2.96 -1.26 0.10 118.68 129.38 2w3i s LEU 29 Ca 0.11 1.95 -0.16 0.00 -0.22 0.00 0.00 54.13 55.82 2w3i s LEU 29 Cb -0.10 -3.57 0.28 0.00 0.50 0.00 0.00 46.19 43.30 2w3i s LEU 29 CO 0.03 -0.52 1.04 0.00 -1.32 0.00 0.00 176.35 175.57 2w3i s ALA 30 N 1.55 -0.05 0.36 5.97 0.00 0.60 -4.85 121.76 125.33 2w3i s ALA 30 Ca 0.58 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.11 2w3i s ALA 30 Cb -0.28 -3.09 0.67 0.00 0.00 0.00 0.00 23.12 20.42 2w3i s ALA 30 CO 0.27 -3.72 1.97 -0.44 0.00 0.00 0.00 175.76 173.83 2w3i h ASP 31 N -2.61 0.60 0.09 0.00 5.19 -1.95 -1.55 116.42 116.20 2w3i h ASP 31 Ca -0.54 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 2w3i h ASP 31 Cb 1.33 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2w3i h ASP 31 CO 0.46 0.51 0.00 -0.46 -3.12 0.00 0.00 179.24 176.63 2w3i n ASN 32 N -4.39 0.00 -0.86 6.45 0.23 -1.26 -4.88 115.26 110.55 2w3i n ASN 32 Ca 0.04 -0.45 -0.11 0.00 -0.53 0.00 0.00 54.58 53.53 2w3i n ASN 32 Cb 0.12 -0.08 -0.05 0.00 -2.08 0.00 0.00 39.78 37.69 2w3i n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2w3i n GLY 33 N 0.26 1.23 1.63 4.83 0.00 -0.58 -4.79 105.19 107.77 2w3i n GLY 33 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2w3i n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2w3i n LYS 34 N -2.50 0.00 -2.45 1.61 5.02 -1.26 -4.20 118.16 114.38 2w3i n LYS 34 Ca -0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.83 2w3i n LYS 34 Cb 0.39 -0.18 -0.03 0.00 -0.02 0.00 0.00 35.03 35.19 2w3i n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2w3i s ALA 35 N -2.00 2.91 -0.23 7.82 0.00 -1.26 -1.39 121.76 127.61 2w3i s ALA 35 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 2w3i s ALA 35 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2w3i s ALA 35 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 175.76 175.35 2w3i s ILE 37 N 1.43 5.00 0.28 0.00 -1.09 0.11 -4.88 121.20 122.06 2w3i s ILE 37 Ca 0.05 0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.23 2w3i s ILE 37 Cb -0.15 -3.33 -0.12 0.00 -1.58 0.00 0.00 42.46 37.28 2w3i s ILE 37 CO 0.00 0.34 1.62 -2.65 -1.23 0.00 0.00 174.94 173.02 2w3i n PRO 38 N 4.46 2.72 -0.09 2.79 -0.02 -1.26 -0.27 135.00 143.33 2w3i n PRO 38 Ca -0.15 0.97 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 2w3i n PRO 38 Cb 0.52 -2.76 0.35 0.00 -0.02 0.00 0.00 33.50 31.59 2w3i n PRO 38 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2w3i n THR 39 N 2.39 0.23 -2.34 3.45 5.66 -0.23 -4.87 114.28 118.57 2w3i n THR 39 Ca 0.09 -0.40 -0.26 0.00 -3.05 0.00 0.00 64.05 60.43 2w3i n THR 39 Cb 0.36 0.49 0.13 0.00 -1.55 0.00 0.00 70.33 69.77 2w3i n THR 39 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2w3i s PRO 41 N -1.77 1.34 -1.14 1.09 0.04 -1.26 -5.10 135.00 128.20 2w3i s PRO 41 Ca 0.33 -0.82 -0.08 0.00 0.04 0.00 0.00 61.00 60.47 2w3i s PRO 41 Cb 0.18 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2w3i s PRO 41 CO 0.27 -1.78 0.86 0.66 0.04 0.00 0.00 177.00 177.05 2w3i n TYR 42 N -3.17 -2.18 -1.94 0.56 4.01 -1.26 -5.00 117.16 108.18 2w3i n TYR 42 Ca 0.15 0.76 -0.34 0.00 -0.16 0.00 0.00 57.90 58.31 2w3i n TYR 42 Cb 0.60 -4.12 0.03 0.00 -0.31 0.00 0.00 39.34 35.54 2w3i n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2w3i s PRO 43 N -5.22 2.97 0.56 -0.72 0.04 -1.26 -4.97 135.00 126.39 2w3i s PRO 43 Ca 0.32 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 2w3i s PRO 43 Cb -0.07 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2w3i s PRO 43 CO 0.78 -1.14 1.35 0.00 0.04 0.00 0.00 177.00 178.03 2w3i n GLY 45 N 0.74 0.62 3.51 0.00 0.00 -1.26 -5.01 105.19 103.78 2w3i n GLY 45 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2w3i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3i s LYS 46 N -0.20 3.53 0.48 1.61 -0.14 -1.21 -5.10 119.74 118.71 2w3i s LYS 46 Ca 0.00 -0.53 -0.23 0.00 -1.36 0.00 0.00 55.97 53.85 2w3i s LYS 46 Cb 0.00 -2.85 -0.07 0.00 -1.68 0.00 0.00 37.83 33.23 2w3i s LYS 46 CO 0.00 0.31 1.28 -0.65 -0.76 0.00 0.00 175.35 175.52 2w3i s GLN 47 N 0.18 3.55 -0.13 1.68 -0.21 -1.26 -4.93 119.66 118.53 2w3i s GLN 47 Ca -0.02 2.05 -0.16 0.00 0.02 0.00 0.00 55.36 57.25 2w3i s GLN 47 Cb -0.14 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 2w3i s GLN 47 CO 0.03 -0.81 0.41 0.95 -2.12 0.00 0.00 175.29 173.75 2w3i s THR 48 N -1.38 5.22 -0.20 -0.19 -4.23 -1.26 -4.96 115.64 108.64 2w3i s THR 48 Ca 0.65 0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 61.95 2w3i s THR 48 Cb -0.36 -3.74 -0.21 0.00 1.34 0.00 0.00 72.50 69.53 2w3i s THR 48 CO 0.43 0.36 0.01 0.18 -0.54 0.00 0.00 174.62 175.07 2w3i n LEU 49 N 3.54 2.83 0.00 4.79 4.77 -1.26 -5.26 117.00 126.42 2w3i n LEU 49 Ca -0.09 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2w3i n LEU 49 Cb 0.52 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2w3i n LEU 49 CO 0.42 0.90 0.18 -0.62 -1.33 0.00 0.00 177.39 176.94