#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 3.41 -3.88 0.00 -0.00 -1.16 -5.00 115.22 108.59 1iw4 n HIS 2 Ca 0.00 -3.09 -0.11 0.00 -0.00 0.00 0.00 57.72 54.52 1iw4 n HIS 2 Cb 0.00 -0.44 -0.11 0.00 -0.00 0.00 0.00 29.99 29.45 1iw4 n HIS 2 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1iw4 s MET 3 N -3.68 0.38 -0.20 -0.41 1.75 -1.26 0.11 119.30 115.99 1iw4 s MET 3 Ca 0.48 -0.30 -0.03 0.00 -1.25 0.00 0.00 55.69 54.59 1iw4 s MET 3 Cb 0.37 0.16 0.06 0.00 2.84 0.00 0.00 34.83 38.27 1iw4 s MET 3 CO -0.22 -0.08 0.05 0.34 -0.65 0.00 0.00 175.02 174.46 1iw4 s ASP 4 N -1.06 2.90 0.63 1.11 -1.08 -1.26 -5.07 116.67 112.84 1iw4 s ASP 4 Ca -0.12 -0.86 -0.00 0.00 -0.52 0.00 0.00 52.55 51.05 1iw4 s ASP 4 Cb -0.06 -0.53 0.07 0.00 -1.46 0.00 0.00 42.92 40.94 1iw4 s ASP 4 CO 0.01 -0.33 0.89 0.00 0.52 0.00 0.00 175.17 176.26 1iw4 n THR 6 N -2.60 0.00 0.00 0.00 5.66 -1.26 -5.02 114.28 111.06 1iw4 n THR 6 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1iw4 n THR 6 Cb 0.60 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1iw4 n THR 6 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1iw4 n GLU 7 N 0.00 0.00 -4.12 1.09 0.28 -1.26 -5.17 120.64 111.47 1iw4 n GLU 7 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 1iw4 n GLU 7 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1iw4 n PHE 8 N 0.00 -0.15 0.24 -1.84 1.16 -1.26 -5.08 117.46 110.52 1iw4 n PHE 8 Ca 0.00 -2.42 -0.11 0.00 -1.87 0.00 0.00 57.45 53.05 1iw4 n PHE 8 Cb 0.00 0.08 -0.06 0.00 -1.61 0.00 0.00 39.48 37.90 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 1iw4 h ASN 9 N 1.59 -0.56 -0.55 5.98 -0.26 -2.07 -3.38 115.58 116.34 1iw4 h ASN 9 Ca -0.26 -0.03 -0.22 0.00 -0.56 0.00 0.00 56.30 55.23 1iw4 h ASN 9 Cb 1.09 0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 38.46 1iw4 h ASN 9 CO 0.41 -0.14 0.59 -2.16 -1.06 0.00 0.00 177.43 175.06 1iw4 s PRO 10 N -3.98 2.24 0.00 0.81 0.04 -1.26 -4.93 135.00 127.92 1iw4 s PRO 10 Ca -0.11 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.64 1iw4 s PRO 10 Cb 0.01 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1iw4 s PRO 10 CO 0.36 -3.87 0.00 1.47 0.04 0.00 0.00 177.00 174.99 1iw4 n LEU 11 N 15.48 0.00 0.00 -3.56 -0.00 -1.26 -3.77 117.00 123.88 1iw4 n LEU 11 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1iw4 n LEU 11 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1iw4 n LEU 11 CO 0.60 -1.05 0.00 0.00 -0.00 0.00 0.00 177.39 176.94 1iw4 n ARG 13 N 0.00 2.58 -3.91 0.00 1.74 -1.25 -4.60 116.66 111.22 1iw4 n ARG 13 Ca 0.00 -3.08 -0.30 0.00 -0.77 0.00 0.00 57.85 53.70 1iw4 n ARG 13 Cb 0.00 -2.20 -0.16 0.00 -1.02 0.00 0.00 32.46 29.09 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iw4 h ASN 15 N 8.02 0.64 0.00 0.00 -0.26 -2.00 -3.44 115.58 118.54 1iw4 h ASN 15 Ca -0.19 -0.93 0.00 0.00 -0.56 0.00 0.00 56.30 54.62 1iw4 h ASN 15 Cb 1.09 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 1iw4 h ASN 15 CO 0.40 1.73 0.00 1.17 -1.06 0.00 0.00 177.43 179.68 1iw4 n LYS 16 N -3.70 0.00 -0.66 0.81 4.81 -1.26 -4.55 118.16 113.61 1iw4 n LYS 16 Ca -0.22 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.07 1iw4 n LYS 16 Cb 1.05 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 36.04 1iw4 n LYS 16 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1iw4 n MET 17 N 0.00 1.61 -2.72 1.64 1.56 -1.26 -3.77 117.12 114.18 1iw4 n MET 17 Ca 0.00 -1.00 -0.08 0.00 -0.27 0.00 0.00 57.70 56.35 1iw4 n MET 17 Cb 0.00 -2.10 0.09 0.00 2.15 0.00 0.00 33.22 33.36 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 3.40 -2.14 0.00 -0.89 -0.00 -1.26 -5.00 117.00 111.10 1iw4 n LEU 18 Ca 0.34 -3.40 0.00 0.00 -0.00 0.00 0.00 56.01 52.96 1iw4 n LEU 18 Cb 0.35 0.88 0.00 0.00 -0.00 0.00 0.00 43.42 44.65 1iw4 n LEU 18 CO 0.42 1.98 0.00 0.61 -0.00 0.00 0.00 177.39 180.41 1iw4 n GLY 19 N 0.30 4.20 3.81 1.47 0.00 -1.25 -5.15 105.19 108.57 1iw4 n GLY 19 Ca 0.03 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1iw4 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iw4 s ASP 20 N 1.00 3.35 -0.31 1.61 1.01 -1.26 -5.05 116.67 117.02 1iw4 s ASP 20 Ca 0.00 0.78 -0.00 0.00 0.71 0.00 0.00 52.55 54.03 1iw4 s ASP 20 Cb 0.00 -1.21 0.10 0.00 1.01 0.00 0.00 42.92 42.82 1iw4 s ASP 20 CO 0.00 -2.63 0.09 -1.48 0.21 0.00 0.00 175.17 171.35 1iw4 s LEU 21 N -6.02 2.44 0.02 1.23 2.34 -1.26 -4.17 118.68 113.26 1iw4 s LEU 21 Ca 0.66 -1.65 -0.13 0.00 0.06 0.00 0.00 54.13 53.07 1iw4 s LEU 21 Cb -0.12 -0.93 -0.06 0.00 -0.56 0.00 0.00 46.19 44.52 1iw4 s LEU 21 CO 0.53 -0.40 0.40 -0.51 -1.06 0.00 0.00 176.35 175.30 1iw4 s ILE 22 N 1.55 5.06 -0.80 1.48 -1.16 -0.19 -0.06 121.20 127.09 1iw4 s ILE 22 Ca 0.09 0.71 -0.05 0.00 -0.51 0.00 0.00 60.65 60.89 1iw4 s ILE 22 Cb -0.17 -3.68 0.20 0.00 0.61 0.00 0.00 42.46 39.42 1iw4 s ILE 22 CO -0.23 0.50 0.67 0.00 -2.81 0.00 0.00 174.94 173.08 1iw4 s ALA 24 N -0.55 3.09 -0.04 0.00 0.00 0.12 -0.25 121.76 124.12 1iw4 s ALA 24 Ca 0.22 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 1iw4 s ALA 24 Cb -0.13 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1iw4 s ALA 24 CO -0.08 -0.69 0.26 0.08 0.00 0.00 0.00 175.76 175.34 1iw4 s VAL 25 N -3.15 0.04 -0.38 0.00 1.01 -0.79 0.10 120.40 117.23 1iw4 s VAL 25 Ca 0.55 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1iw4 s VAL 25 Cb -0.11 -0.50 0.15 0.00 0.00 0.00 0.00 36.38 35.92 1iw4 s VAL 25 CO 0.53 -0.19 0.26 0.27 0.00 0.00 0.00 175.10 175.97 1iw4 s ILE 26 N -0.81 0.25 0.00 2.22 -0.00 -0.85 -2.72 121.20 119.29 1iw4 s ILE 26 Ca -0.09 -2.08 0.00 0.00 -0.00 0.00 0.00 60.65 58.48 1iw4 s ILE 26 Cb -0.05 -1.20 0.00 0.00 -0.00 0.00 0.00 42.46 41.22 1iw4 s ILE 26 CO 0.02 -1.08 0.00 0.61 -0.00 0.00 0.00 174.94 174.50 1iw4 n GLY 27 N 3.59 0.75 0.75 6.27 0.00 -1.26 -2.10 105.19 113.19 1iw4 n GLY 27 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1iw4 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iw4 n ASP 28 N 1.88 -0.09 -3.66 1.61 8.00 -1.26 -5.01 116.55 118.03 1iw4 n ASP 28 Ca 0.00 -1.60 -0.27 0.00 0.71 0.00 0.00 54.79 53.63 1iw4 n ASP 28 Cb 0.00 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw4 n ALA 29 N 0.07 3.37 -2.54 2.24 0.00 -0.89 -5.07 120.51 117.69 1iw4 n ALA 29 Ca -0.05 -4.22 -0.42 0.00 0.00 0.00 0.00 53.44 48.75 1iw4 n ALA 29 Cb 0.68 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 1iw4 n ALA 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1iw4 s LYS 30 N -1.35 3.50 0.16 0.00 0.00 -1.26 -2.01 119.74 118.78 1iw4 s LYS 30 Ca 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 55.97 55.92 1iw4 s LYS 30 Cb 0.03 -3.84 -0.04 0.00 0.00 0.00 0.00 37.83 33.98 1iw4 s LYS 30 CO -0.14 -0.68 0.12 -1.21 0.00 0.00 0.00 175.35 173.44 1iw4 s GLU 31 N 2.29 1.06 0.14 1.78 0.41 0.12 -4.96 118.70 119.54 1iw4 s GLU 31 Ca 0.16 -1.47 0.04 0.00 -0.41 0.00 0.00 54.97 53.29 1iw4 s GLU 31 Cb -0.16 0.27 -0.04 0.00 -1.78 0.00 0.00 34.13 32.43 1iw4 s GLU 31 CO 0.13 -0.33 0.13 -1.21 -0.49 0.00 0.00 175.26 173.49 1iw4 s GLU 32 N -4.08 2.93 -0.17 1.61 2.02 -1.26 0.14 118.70 119.90 1iw4 s GLU 32 Ca 0.28 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 54.31 1iw4 s GLU 32 Cb 0.07 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.65 1iw4 s GLU 32 CO 0.05 0.51 0.45 -1.01 0.02 0.00 0.00 175.26 175.28 1iw4 s HIS 33 N -1.66 -0.50 0.00 1.61 3.76 0.15 -4.93 115.29 113.72 1iw4 s HIS 33 Ca 0.31 1.22 0.02 0.00 -0.15 0.00 0.00 55.06 56.46 1iw4 s HIS 33 Cb -0.11 0.18 -0.25 0.00 1.11 0.00 0.00 32.58 33.51 1iw4 s HIS 33 CO 0.23 -0.25 0.85 0.00 -0.85 0.00 0.00 174.74 174.73 1iw4 h ARG 34 N 5.53 0.15 -2.76 1.40 3.08 -1.86 -0.47 114.38 119.45 1iw4 h ARG 34 Ca -0.28 -0.26 -0.69 0.00 0.07 0.00 0.00 59.98 58.82 1iw4 h ARG 34 Cb 1.18 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 1iw4 h ARG 34 CO 0.23 0.96 2.96 0.09 -1.07 0.00 0.00 179.97 183.13 1iw4 n ASN 35 N -3.34 8.29 -0.34 7.04 5.03 -1.26 -4.45 115.26 126.24 1iw4 n ASN 35 Ca -0.15 -2.88 0.36 0.00 0.87 0.00 0.00 54.58 52.79 1iw4 n ASN 35 Cb 1.03 -1.45 0.73 0.00 -1.02 0.00 0.00 39.78 39.07 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 4.71 0.00 -0.22 3.52 1.85 -1.90 0.73 114.93 123.62 1iw4 h MET 36 Ca 0.77 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.81 1iw4 h MET 36 Cb 0.33 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 1iw4 h MET 36 CO 1.58 0.00 -0.03 0.00 -0.40 0.00 0.00 176.91 178.06 1iw4 h ALA 38 N 0.77 1.00 0.12 0.00 0.00 0.22 -1.15 119.26 120.22 1iw4 h ALA 38 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1iw4 h ALA 38 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iw4 h ALA 38 CO 0.02 0.00 -1.18 -0.07 0.00 0.00 0.00 179.25 178.02 1iw4 h LEU 39 N 0.00 0.40 -1.33 0.00 3.38 -0.90 -1.63 115.31 115.23 1iw4 h LEU 39 Ca 0.00 -0.88 -0.04 0.00 0.09 0.00 0.00 57.88 57.05 1iw4 h LEU 39 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1iw4 h LEU 39 CO 0.00 1.53 -0.02 0.00 0.09 0.00 0.00 178.44 180.03 1iw4 n GLU 42 N -3.52 3.99 -1.86 0.00 4.07 -0.61 -4.99 120.64 117.71 1iw4 n GLU 42 Ca -0.17 -2.96 -0.31 0.00 -0.06 0.00 0.00 57.16 53.66 1iw4 n GLU 42 Cb 1.06 -1.97 0.02 0.00 -0.06 0.00 0.00 31.44 30.48 1iw4 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 1iw4 s HIS 43 N -2.04 3.52 0.35 4.31 -3.43 0.18 -4.94 115.29 113.24 1iw4 s HIS 43 Ca 0.52 1.22 0.06 0.00 -0.80 0.00 0.00 55.06 56.06 1iw4 s HIS 43 Cb 0.35 -2.83 0.66 0.00 -1.43 0.00 0.00 32.58 29.34 1iw4 s HIS 43 CO 0.23 -0.85 1.90 -1.35 -2.00 0.00 0.00 174.74 172.66 1iw4 h PRO 44 N -0.43 0.45 0.00 -0.38 0.11 -1.94 -3.43 132.00 126.38 1iw4 h PRO 44 Ca -0.44 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1iw4 h PRO 44 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iw4 h PRO 44 CO 0.62 0.50 0.00 0.41 -0.21 0.00 0.00 178.00 179.32 1iw4 n GLY 45 N -0.91 0.00 1.14 -0.55 0.00 -1.26 -5.00 105.19 98.60 1iw4 n GLY 45 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.62 0.00 -0.02 0.00 -1.26 -5.08 105.19 99.45 1iw4 n GLY 46 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1iw4 n GLY 46 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iw4 n PHE 47 N -1.14 0.00 -4.18 1.61 1.16 -1.26 -4.44 117.46 109.21 1iw4 n PHE 47 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.45 1iw4 n PHE 47 Cb 0.48 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.27 1iw4 n PHE 47 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1iw4 s GLU 48 N 0.00 1.41 0.25 3.97 1.03 -1.10 -3.00 118.70 121.25 1iw4 s GLU 48 Ca 0.00 -1.66 -0.22 0.00 0.03 0.00 0.00 54.97 53.12 1iw4 s GLU 48 Cb 0.00 0.32 0.03 0.00 -0.80 0.00 0.00 34.13 33.69 1iw4 s GLU 48 CO 0.00 -0.51 0.72 1.52 -1.33 0.00 0.00 175.26 175.66 1iw4 s TYR 49 N -3.92 -0.25 -0.43 4.83 -0.85 0.30 -1.89 117.35 115.15 1iw4 s TYR 49 Ca 0.36 -0.15 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 1iw4 s TYR 49 Cb 0.04 0.68 0.19 0.00 0.38 0.00 0.00 41.96 43.26 1iw4 s TYR 49 CO 0.15 -1.13 0.47 0.43 -1.52 0.00 0.00 175.55 173.95 1iw4 n SER 50 N -0.44 -0.94 -4.63 -0.18 7.64 0.65 -4.87 113.62 110.85 1iw4 n SER 50 Ca -0.06 -2.57 -0.49 0.00 1.01 0.00 0.00 58.87 56.75 1iw4 n SER 50 Cb 0.60 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 1iw4 n SER 50 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iw4 n ASN 51 N 2.48 2.40 0.00 6.43 4.13 -1.26 -2.30 115.26 127.13 1iw4 n ASN 51 Ca 0.25 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.61 1iw4 n ASN 51 Cb 0.51 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 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 2.99 -0.45 3.70 7.41 0.00 0.91 -4.91 105.19 114.85 1iw4 n GLY 52 Ca 0.18 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1iw4 n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iw4 n PRO 53 N 0.00 2.25 0.00 1.61 -0.04 -1.26 -4.56 135.00 133.00 1iw4 n PRO 53 Ca 0.00 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1iw4 n PRO 53 Cb 0.00 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 1iw4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46