#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw4 n HIS 2 N 0.00 0.00 -1.11 0.00 -0.00 -0.67 -3.99 115.22 109.45 1iw4 n HIS 2 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1iw4 n HIS 2 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 1iw4 n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1iw4 n MET 3 N 0.00 1.05 -3.72 -0.41 1.56 -1.25 -4.36 117.12 109.98 1iw4 n MET 3 Ca 0.00 -1.69 -0.28 0.00 -0.27 0.00 0.00 57.70 55.46 1iw4 n MET 3 Cb 0.00 -2.95 -0.12 0.00 2.15 0.00 0.00 33.22 32.30 1iw4 n MET 3 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1iw4 s ASP 4 N 5.88 3.58 0.00 6.12 1.11 -1.26 -4.96 116.67 127.14 1iw4 s ASP 4 Ca 0.63 -3.36 0.00 0.00 0.18 0.00 0.00 52.55 50.00 1iw4 s ASP 4 Cb 0.12 -1.17 0.00 0.00 1.07 0.00 0.00 42.92 42.94 1iw4 s ASP 4 CO 0.19 -0.15 0.00 0.00 1.18 0.00 0.00 175.17 176.39 1iw4 h THR 6 N 0.00 0.64 0.00 0.00 1.03 -1.90 -3.44 112.91 109.24 1iw4 h THR 6 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 1iw4 h THR 6 Cb 0.00 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 1iw4 h THR 6 CO 0.00 0.12 0.00 -1.84 -0.01 0.00 0.00 175.52 173.79 1iw4 n GLU 7 N -3.73 0.00 0.00 0.00 0.28 -1.26 -4.52 120.64 111.40 1iw4 n GLU 7 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1iw4 n GLU 7 Cb 0.24 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.11 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1iw4 n PHE 8 N 0.00 0.00 -0.01 -1.84 3.72 -1.26 -5.06 117.46 113.01 1iw4 n PHE 8 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1iw4 n PHE 8 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1iw4 h ASN 9 N 0.00 -0.01 -2.73 4.37 4.21 -2.03 -3.38 115.58 116.02 1iw4 h ASN 9 Ca 0.00 -0.49 -0.73 0.00 1.21 0.00 0.00 56.30 56.29 1iw4 h ASN 9 Cb 0.00 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.00 1iw4 h ASN 9 CO 0.00 0.49 0.79 -2.16 -1.29 0.00 0.00 177.43 175.26 1iw4 s PRO 10 N -4.19 3.78 1.27 0.81 0.04 -1.26 -5.04 135.00 130.41 1iw4 s PRO 10 Ca -0.16 -2.24 -0.18 0.00 0.04 0.00 0.00 61.00 58.46 1iw4 s PRO 10 Cb 0.01 -4.83 0.31 0.00 0.04 0.00 0.00 34.50 30.04 1iw4 s PRO 10 CO 0.67 -1.63 1.01 -0.51 0.04 0.00 0.00 177.00 176.58 1iw4 s LEU 11 N 1.55 0.05 0.00 -3.56 1.02 -1.26 -4.27 118.68 112.22 1iw4 s LEU 11 Ca 0.32 1.01 0.00 0.00 0.02 0.00 0.00 54.13 55.48 1iw4 s LEU 11 Cb -0.06 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.45 1iw4 s LEU 11 CO -0.07 -4.58 0.00 0.00 0.02 0.00 0.00 176.35 171.72 1iw4 n ARG 13 N 0.00 2.13 -3.66 0.00 -4.01 -1.26 -4.59 116.66 105.27 1iw4 n ARG 13 Ca 0.00 -2.28 -0.26 0.00 -1.04 0.00 0.00 57.85 54.27 1iw4 n ARG 13 Cb 0.00 -1.89 -0.17 0.00 -3.04 0.00 0.00 32.46 27.36 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1iw4 n ASN 15 N 5.20 1.97 0.00 0.00 4.13 -1.26 -4.39 115.26 120.91 1iw4 n ASN 15 Ca -0.08 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1iw4 n ASN 15 Cb 0.48 -0.87 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1iw4 n ASN 15 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1iw4 n LYS 16 N -4.00 0.00 -0.16 3.52 2.85 -1.26 -4.53 118.16 114.59 1iw4 n LYS 16 Ca -0.36 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 56.86 1iw4 n LYS 16 Cb 0.86 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 35.22 1iw4 n LYS 16 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1iw4 n MET 17 N 0.00 0.38 -2.69 -1.58 1.56 -1.26 -3.62 117.12 109.91 1iw4 n MET 17 Ca 0.00 -0.40 -0.06 0.00 -0.27 0.00 0.00 57.70 56.97 1iw4 n MET 17 Cb 0.00 -1.81 0.08 0.00 2.15 0.00 0.00 33.22 33.65 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1iw4 n LEU 18 N 3.75 -1.76 0.00 -0.89 -0.00 -1.26 -4.94 117.00 111.89 1iw4 n LEU 18 Ca 0.08 -2.40 0.00 0.00 -0.00 0.00 0.00 56.01 53.69 1iw4 n LEU 18 Cb 0.09 0.79 0.00 0.00 -0.00 0.00 0.00 43.42 44.29 1iw4 n LEU 18 CO 0.37 1.74 0.00 0.61 -0.00 0.00 0.00 177.39 180.11 1iw4 n GLY 19 N 1.09 2.74 2.97 1.47 0.00 -1.24 -5.14 105.19 107.09 1iw4 n GLY 19 Ca 0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1iw4 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iw4 n ASP 20 N 0.00 -3.05 -3.40 1.61 8.00 -1.26 -4.91 116.55 113.53 1iw4 n ASP 20 Ca 0.00 -0.42 -0.18 0.00 0.71 0.00 0.00 54.79 54.90 1iw4 n ASP 20 Cb 0.00 -0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 40.26 1iw4 n ASP 20 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1iw4 s LEU 21 N 0.46 -0.14 0.28 0.64 2.96 -1.26 -4.03 118.68 117.59 1iw4 s LEU 21 Ca 0.32 -0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 53.27 1iw4 s LEU 21 Cb -0.06 0.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.03 1iw4 s LEU 21 CO 0.27 -0.37 0.50 -0.51 -1.32 0.00 0.00 176.35 174.92 1iw4 s ILE 22 N 2.19 5.10 -0.67 6.68 -1.16 -0.57 -2.34 121.20 130.42 1iw4 s ILE 22 Ca 0.11 -0.22 0.01 0.00 -0.51 0.00 0.00 60.65 60.03 1iw4 s ILE 22 Cb -0.14 -3.77 0.17 0.00 0.61 0.00 0.00 42.46 39.32 1iw4 s ILE 22 CO -0.28 -0.34 0.48 0.00 -2.81 0.00 0.00 174.94 171.98 1iw4 s ALA 24 N -0.68 3.35 0.08 0.00 0.00 -0.82 -0.84 121.76 122.84 1iw4 s ALA 24 Ca 0.21 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.41 1iw4 s ALA 24 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1iw4 s ALA 24 CO -0.07 -0.04 -0.17 0.54 0.00 0.00 0.00 175.76 176.02 1iw4 s VAL 25 N 0.52 1.33 -0.40 0.00 0.11 -1.06 0.40 120.40 121.31 1iw4 s VAL 25 Ca 0.38 -1.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 1iw4 s VAL 25 Cb -0.19 -1.24 0.16 0.00 -1.53 0.00 0.00 36.38 33.59 1iw4 s VAL 25 CO 0.20 -0.12 0.39 0.27 -3.33 0.00 0.00 175.10 172.51 1iw4 s ILE 26 N -1.16 -0.20 0.00 7.04 -0.00 -0.72 -2.65 121.20 123.50 1iw4 s ILE 26 Ca 0.02 -1.46 0.00 0.00 -0.00 0.00 0.00 60.65 59.20 1iw4 s ILE 26 Cb -0.10 -0.77 0.00 0.00 -0.00 0.00 0.00 42.46 41.60 1iw4 s ILE 26 CO 0.03 -0.71 0.00 0.61 -0.00 0.00 0.00 174.94 174.86 1iw4 n GLY 27 N 3.72 0.74 0.82 6.27 0.00 -1.26 -2.07 105.19 113.41 1iw4 n GLY 27 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1iw4 n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iw4 n ASP 28 N 1.86 -0.20 -3.71 1.61 5.68 -1.26 -5.02 116.55 115.51 1iw4 n ASP 28 Ca 0.00 -1.64 -0.28 0.00 -0.50 0.00 0.00 54.79 52.37 1iw4 n ASP 28 Cb 0.00 0.03 -0.12 0.00 -1.14 0.00 0.00 41.12 39.89 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iw4 s ALA 29 N 0.00 2.67 -0.51 2.12 0.00 -0.88 -5.06 121.76 120.09 1iw4 s ALA 29 Ca 0.05 -3.10 -0.17 0.00 0.00 0.00 0.00 51.96 48.74 1iw4 s ALA 29 Cb 0.06 -1.93 0.08 0.00 0.00 0.00 0.00 23.12 21.33 1iw4 s ALA 29 CO -0.02 -2.05 0.52 0.21 0.00 0.00 0.00 175.76 174.42 1iw4 s LYS 30 N -0.50 3.03 -0.01 0.00 2.20 -1.26 -1.76 119.74 121.44 1iw4 s LYS 30 Ca 0.25 -1.29 0.03 0.00 -0.36 0.00 0.00 55.97 54.59 1iw4 s LYS 30 Cb -0.08 -4.18 -0.01 0.00 -1.51 0.00 0.00 37.83 32.06 1iw4 s LYS 30 CO -0.12 -1.22 -0.08 -2.00 -0.36 0.00 0.00 175.35 171.57 1iw4 s GLU 31 N 2.05 0.67 0.29 4.03 -6.30 0.16 -4.96 118.70 114.65 1iw4 s GLU 31 Ca 0.08 -0.30 -0.04 0.00 -2.50 0.00 0.00 54.97 52.21 1iw4 s GLU 31 Cb -0.24 -0.65 -0.05 0.00 0.00 0.00 0.00 34.13 33.19 1iw4 s GLU 31 CO 0.07 0.18 0.54 -1.21 0.02 0.00 0.00 175.26 174.87 1iw4 s GLU 32 N -0.20 3.62 -0.07 4.30 8.01 -1.26 -1.94 118.70 131.16 1iw4 s GLU 32 Ca 0.03 -0.03 -0.30 0.00 0.01 0.00 0.00 54.97 54.68 1iw4 s GLU 32 Cb -0.03 -2.66 0.07 0.00 -4.31 0.00 0.00 34.13 27.20 1iw4 s GLU 32 CO -0.00 0.22 0.69 -3.38 0.01 0.00 0.00 175.26 172.79 1iw4 s HIS 33 N -2.09 -0.67 0.07 1.61 -3.43 -0.93 -4.96 115.29 104.90 1iw4 s HIS 33 Ca 0.43 1.19 0.06 0.00 -0.80 0.00 0.00 55.06 55.94 1iw4 s HIS 33 Cb -0.11 0.40 -0.23 0.00 -1.43 0.00 0.00 32.58 31.21 1iw4 s HIS 33 CO 0.30 -0.59 1.11 0.00 -2.00 0.00 0.00 174.74 173.56 1iw4 h ARG 34 N 3.17 0.06 -2.67 -0.38 2.47 -1.89 -1.52 114.38 113.62 1iw4 h ARG 34 Ca -0.27 -0.10 -0.65 0.00 -1.26 0.00 0.00 59.98 57.71 1iw4 h ARG 34 Cb 1.14 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 29.44 1iw4 h ARG 34 CO 0.36 0.95 2.60 0.09 0.56 0.00 0.00 179.97 184.52 1iw4 n ASN 35 N -3.33 7.98 0.19 7.04 5.03 -1.26 -4.24 115.26 126.67 1iw4 n ASN 35 Ca -0.06 -2.86 0.18 0.00 0.87 0.00 0.00 54.58 52.72 1iw4 n ASN 35 Cb 0.98 -1.44 0.81 0.00 -1.02 0.00 0.00 39.78 39.11 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1iw4 h MET 36 N 4.49 0.00 0.21 3.52 4.05 -1.93 -2.66 114.93 122.60 1iw4 h MET 36 Ca 0.71 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.12 1iw4 h MET 36 Cb 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1iw4 h MET 36 CO 1.45 0.00 -0.10 0.00 0.23 0.00 0.00 176.91 178.49 1iw4 h ALA 38 N -1.82 1.33 0.14 0.00 0.00 -1.69 0.08 119.26 117.31 1iw4 h ALA 38 Ca -0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1iw4 h ALA 38 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iw4 h ALA 38 CO 0.05 -0.28 -1.67 -0.07 0.00 0.00 0.00 179.25 177.27 1iw4 h LEU 39 N 0.00 0.47 -0.48 0.00 4.07 -1.37 -2.58 115.31 115.43 1iw4 h LEU 39 Ca 0.01 -0.72 -0.11 0.00 0.08 0.00 0.00 57.88 57.15 1iw4 h LEU 39 Cb 0.55 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1iw4 h LEU 39 CO -0.00 1.61 -0.52 0.00 -1.08 0.00 0.00 178.44 178.45 1iw4 h GLU 42 N 0.10 0.23 -7.57 0.00 4.81 -1.47 -3.44 114.58 107.24 1iw4 h GLU 42 Ca -0.26 -0.28 -0.46 0.00 -0.13 0.00 0.00 59.36 58.24 1iw4 h GLU 42 Cb 2.07 0.09 0.12 0.00 0.63 0.00 0.00 28.75 31.66 1iw4 h GLU 42 CO 0.20 1.02 0.33 -1.01 -0.73 0.00 0.00 179.01 178.83 1iw4 s HIS 43 N -3.10 2.10 -0.92 0.92 3.76 -0.04 -4.88 115.29 113.13 1iw4 s HIS 43 Ca -0.03 0.33 -0.26 0.00 -0.15 0.00 0.00 55.06 54.94 1iw4 s HIS 43 Cb 0.09 -3.65 -0.24 0.00 1.11 0.00 0.00 32.58 29.90 1iw4 s HIS 43 CO 0.84 -2.10 2.00 -2.30 -0.85 0.00 0.00 174.74 172.34 1iw4 n PRO 44 N -3.37 0.08 -1.39 8.40 -0.02 -1.26 -3.28 135.00 134.16 1iw4 n PRO 44 Ca 0.12 -1.54 -0.14 0.00 -2.02 0.00 0.00 63.50 59.92 1iw4 n PRO 44 Cb 0.60 -3.65 -0.06 0.00 -0.02 0.00 0.00 33.50 30.37 1iw4 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iw4 n GLY 45 N 5.93 1.33 0.00 -1.23 0.00 -1.25 -4.37 105.19 105.60 1iw4 n GLY 45 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1iw4 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iw4 n GLY 46 N -0.21 1.92 1.69 -0.02 0.00 -0.33 -4.74 105.19 103.50 1iw4 n GLY 46 Ca -0.14 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 1iw4 n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iw4 n PHE 47 N 0.73 -2.15 -1.74 1.61 3.72 -1.26 -4.49 117.46 113.88 1iw4 n PHE 47 Ca 0.00 -0.15 -0.40 0.00 -0.05 0.00 0.00 57.45 56.86 1iw4 n PHE 47 Cb 0.00 -0.73 -0.01 0.00 -0.94 0.00 0.00 39.48 37.80 1iw4 n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1iw4 n GLU 48 N -1.97 4.24 -2.16 -1.08 1.02 -1.08 -3.84 120.64 115.76 1iw4 n GLU 48 Ca 0.05 -2.98 -0.29 0.00 -0.02 0.00 0.00 57.16 53.91 1iw4 n GLU 48 Cb 0.21 -2.70 0.01 0.00 -0.02 0.00 0.00 31.44 28.94 1iw4 n GLU 48 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1iw4 s TYR 49 N 0.15 3.57 -0.28 -0.32 1.13 -1.26 -2.55 117.35 117.78 1iw4 s TYR 49 Ca 0.60 1.07 -0.04 0.00 -1.41 0.00 0.00 57.07 57.30 1iw4 s TYR 49 Cb 0.18 -2.60 0.10 0.00 -1.10 0.00 0.00 41.96 38.53 1iw4 s TYR 49 CO -0.08 -0.59 0.12 -1.54 -2.51 0.00 0.00 175.55 170.95 1iw4 s SER 50 N -4.17 3.48 0.15 -0.18 1.04 -0.02 -1.67 113.70 112.32 1iw4 s SER 50 Ca 0.53 -1.26 -0.34 0.00 0.48 0.00 0.00 55.95 55.35 1iw4 s SER 50 Cb -0.11 -0.41 -0.15 0.00 0.10 0.00 0.00 66.02 65.45 1iw4 s SER 50 CO 0.50 -0.43 1.33 0.59 0.98 0.00 0.00 173.24 176.22 1iw4 n ASN 51 N 5.20 1.93 0.00 7.02 4.13 -1.26 -2.32 115.26 129.96 1iw4 n ASN 51 Ca -0.06 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.33 1iw4 n ASN 51 Cb 0.43 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.40 1iw4 n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iw4 n GLY 52 N 2.45 4.28 3.56 7.41 0.00 -0.99 -4.72 105.19 117.18 1iw4 n GLY 52 Ca 0.16 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1iw4 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iw4 s PRO 53 N -2.92 3.31 -0.24 1.61 0.04 -1.26 -4.30 135.00 131.25 1iw4 s PRO 53 Ca 0.00 -0.60 -0.09 0.00 0.04 0.00 0.00 61.00 60.35 1iw4 s PRO 53 Cb 0.00 -4.77 -0.17 0.00 0.04 0.00 0.00 34.50 29.60 1iw4 s PRO 53 CO 0.00 -2.27 -0.13 0.00 0.04 0.00 0.00 177.00 174.64