#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 2.55 0.08 0.00 -0.00 -1.26 -4.25 115.22 112.34 1iw4 n HIS 2 Ca 0.00 -3.40 0.00 0.00 -0.00 0.00 0.00 57.72 54.32 1iw4 n HIS 2 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 29.68 1iw4 n HIS 2 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1iw4 n MET 3 N -0.20 0.00 -0.31 -0.41 0.00 -1.26 -4.28 117.12 110.66 1iw4 n MET 3 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.86 1iw4 n MET 3 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.82 1iw4 n MET 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1iw4 n ASP 4 N -2.89 0.21 0.00 7.83 9.92 -1.26 -4.88 116.55 125.48 1iw4 n ASP 4 Ca 0.00 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1iw4 n ASP 4 Cb 0.00 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iw4 n THR 6 N 0.00 1.31 -1.09 0.00 -1.04 -1.26 -4.72 114.28 107.49 1iw4 n THR 6 Ca 0.00 0.60 -0.16 0.00 -2.04 0.00 0.00 64.05 62.45 1iw4 n THR 6 Cb 0.00 -1.60 -0.16 0.00 -1.82 0.00 0.00 70.33 66.75 1iw4 n THR 6 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iw4 n GLU 7 N -1.71 0.00 0.00 -2.82 1.02 -1.26 -4.65 120.64 111.22 1iw4 n GLU 7 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1iw4 n GLU 7 Cb 0.12 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1iw4 n PHE 8 N 4.01 0.00 0.09 -0.32 3.72 -1.26 -5.07 117.46 118.63 1iw4 n PHE 8 Ca 0.49 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.77 1iw4 n PHE 8 Cb 0.11 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.23 -2.84 4.37 2.35 -2.03 -3.40 115.58 113.81 1iw4 h ASN 9 Ca 0.00 -0.29 -0.66 0.00 -0.55 0.00 0.00 56.30 54.80 1iw4 h ASN 9 Cb 0.00 0.06 -0.17 0.00 0.05 0.00 0.00 38.32 38.26 1iw4 h ASN 9 CO 0.00 0.22 0.33 -2.16 -1.65 0.00 0.00 177.43 174.17 1iw4 s PRO 10 N -4.15 3.10 1.34 0.81 0.04 -1.26 -5.05 135.00 129.83 1iw4 s PRO 10 Ca -0.14 -1.00 -0.21 0.00 0.04 0.00 0.00 61.00 59.69 1iw4 s PRO 10 Cb 0.01 -4.22 0.33 0.00 0.04 0.00 0.00 34.50 30.66 1iw4 s PRO 10 CO 0.54 -1.64 0.74 1.28 0.04 0.00 0.00 177.00 177.97 1iw4 n LEU 11 N 7.01 -0.58 -3.14 -3.56 4.77 -1.26 -4.23 117.00 116.01 1iw4 n LEU 11 Ca -0.06 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1iw4 n LEU 11 Cb 0.44 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1iw4 n LEU 11 CO 0.61 -4.24 0.14 0.00 -1.33 0.00 0.00 177.39 172.56 1iw4 n ARG 13 N 2.42 2.07 -3.44 0.00 0.00 -1.26 -4.68 116.66 111.77 1iw4 n ARG 13 Ca 0.00 -2.04 -0.16 0.00 -0.00 0.00 0.00 57.85 55.66 1iw4 n ARG 13 Cb 0.07 -1.83 -0.11 0.00 0.00 0.00 0.00 32.46 30.59 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iw4 n ASN 15 N 5.33 0.00 0.14 0.00 4.05 -1.26 -4.21 115.26 119.31 1iw4 n ASN 15 Ca -0.04 0.00 0.17 0.00 0.45 0.00 0.00 54.58 55.16 1iw4 n ASN 15 Cb 0.49 -0.26 0.59 0.00 1.23 0.00 0.00 39.78 41.83 1iw4 n ASN 15 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1iw4 h LYS 16 N 0.00 0.00 0.00 1.20 3.64 -2.01 -3.44 116.57 115.95 1iw4 h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iw4 h LYS 16 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1iw4 h LYS 16 CO 0.00 0.00 0.00 -0.12 -2.27 0.00 0.00 179.45 177.06 1iw4 n MET 17 N -3.19 0.00 -1.01 1.90 1.56 -1.26 -4.46 117.12 110.66 1iw4 n MET 17 Ca 0.07 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.08 1iw4 n MET 17 Cb 0.80 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 36.11 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 0.00 3.61 -4.59 -0.89 -0.00 -1.26 -4.87 117.00 109.00 1iw4 n LEU 18 Ca 0.00 -2.65 -0.61 0.00 -0.00 0.00 0.00 56.01 52.75 1iw4 n LEU 18 Cb 0.00 -1.01 -0.09 0.00 -0.00 0.00 0.00 43.42 42.32 1iw4 n LEU 18 CO 0.00 -0.57 1.41 0.61 -0.00 0.00 0.00 177.39 178.84 1iw4 n GLY 19 N 4.55 0.34 3.88 1.47 0.00 -1.26 -4.93 105.19 109.24 1iw4 n GLY 19 Ca 0.48 1.01 -0.29 0.00 0.00 0.00 0.00 46.02 47.21 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 4.36 3.43 -1.18 1.61 1.01 -0.84 -4.78 116.67 120.28 1iw4 s ASP 20 Ca 1.07 0.53 -0.11 0.00 0.71 0.00 0.00 52.55 54.75 1iw4 s ASP 20 Cb -1.31 -0.78 0.22 0.00 1.01 0.00 0.00 42.92 42.07 1iw4 s ASP 20 CO 0.70 -2.56 1.39 0.00 0.21 0.00 0.00 175.17 174.91 1iw4 n LEU 21 N -3.70 5.63 -4.83 1.23 -0.00 -1.26 -3.67 117.00 110.40 1iw4 n LEU 21 Ca 0.12 -4.76 -0.34 0.00 -0.00 0.00 0.00 56.01 51.03 1iw4 n LEU 21 Cb 0.60 -1.52 -0.06 0.00 -0.00 0.00 0.00 43.42 42.44 1iw4 n LEU 21 CO 0.50 1.12 0.42 -0.51 -0.00 0.00 0.00 177.39 178.93 1iw4 s ILE 22 N -0.01 4.62 -0.92 1.47 -1.16 -0.58 -1.93 121.20 122.70 1iw4 s ILE 22 Ca 0.37 1.11 -0.05 0.00 -0.51 0.00 0.00 60.65 61.57 1iw4 s ILE 22 Cb -0.03 -3.73 0.23 0.00 0.61 0.00 0.00 42.46 39.54 1iw4 s ILE 22 CO -0.01 -0.00 0.83 0.00 -2.81 0.00 0.00 174.94 172.95 1iw4 s ALA 24 N -0.99 3.34 0.01 0.00 0.00 -0.67 -0.31 121.76 123.15 1iw4 s ALA 24 Ca 0.26 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1iw4 s ALA 24 Cb -0.10 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1iw4 s ALA 24 CO -0.10 0.18 -0.08 0.08 0.00 0.00 0.00 175.76 175.85 1iw4 s VAL 25 N -1.16 0.60 -0.47 0.00 1.01 0.32 -0.55 120.40 120.15 1iw4 s VAL 25 Ca 0.41 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1iw4 s VAL 25 Cb -0.26 -0.54 0.16 0.00 0.00 0.00 0.00 36.38 35.73 1iw4 s VAL 25 CO 0.33 0.05 0.32 0.27 0.00 0.00 0.00 175.10 176.07 1iw4 s ILE 26 N -0.44 1.14 0.00 2.22 -0.00 -0.75 -2.78 121.20 120.58 1iw4 s ILE 26 Ca 0.00 -2.83 0.00 0.00 -0.00 0.00 0.00 60.65 57.83 1iw4 s ILE 26 Cb -0.04 -1.78 0.00 0.00 -0.00 0.00 0.00 42.46 40.63 1iw4 s ILE 26 CO 0.00 -1.06 0.00 0.61 -0.00 0.00 0.00 174.94 174.49 1iw4 n GLY 27 N 3.03 0.67 0.67 6.27 0.00 -1.26 -2.15 105.19 112.43 1iw4 n GLY 27 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 1.67 -0.02 -3.75 1.61 8.00 -1.26 -5.01 116.55 117.79 1iw4 n ASP 28 Ca 0.00 -1.59 -0.28 0.00 0.71 0.00 0.00 54.79 53.63 1iw4 n ASP 28 Cb 0.00 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw4 s ALA 29 N 0.00 3.09 -0.24 2.24 0.00 -0.91 -5.08 121.76 120.86 1iw4 s ALA 29 Ca 0.04 -3.42 -0.10 0.00 0.00 0.00 0.00 51.96 48.48 1iw4 s ALA 29 Cb 0.04 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1iw4 s ALA 29 CO -0.02 -2.06 0.14 -1.59 0.00 0.00 0.00 175.76 172.23 1iw4 s LYS 30 N -0.98 4.00 0.03 0.00 0.00 -1.26 -1.81 119.74 119.73 1iw4 s LYS 30 Ca 0.27 -0.31 -0.28 0.00 0.00 0.00 0.00 55.97 55.65 1iw4 s LYS 30 Cb -0.03 -3.49 0.07 0.00 0.00 0.00 0.00 37.83 34.38 1iw4 s LYS 30 CO -0.17 0.03 0.65 -1.21 0.00 0.00 0.00 175.35 174.66 1iw4 s GLU 31 N 1.11 1.14 0.41 1.78 2.02 0.29 -4.98 118.70 120.47 1iw4 s GLU 31 Ca 0.07 -0.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.76 1iw4 s GLU 31 Cb -0.14 0.53 -0.08 0.00 0.10 0.00 0.00 34.13 34.54 1iw4 s GLU 31 CO 0.05 -0.42 1.18 -1.83 0.02 0.00 0.00 175.26 174.26 1iw4 s GLU 32 N -2.24 4.01 -0.02 1.61 4.04 -1.26 -1.66 118.70 123.18 1iw4 s GLU 32 Ca -0.06 1.86 0.04 0.00 0.04 0.00 0.00 54.97 56.85 1iw4 s GLU 32 Cb -0.00 -2.65 -0.01 0.00 0.02 0.00 0.00 34.13 31.48 1iw4 s GLU 32 CO 0.00 -0.36 -0.14 -1.58 -1.84 0.00 0.00 175.26 171.34 1iw4 s HIS 33 N -1.41 1.33 -0.13 4.83 2.46 0.34 -4.88 115.29 117.82 1iw4 s HIS 33 Ca 0.58 -0.28 -0.08 0.00 0.47 0.00 0.00 55.06 55.74 1iw4 s HIS 33 Cb -0.31 -0.87 -0.03 0.00 -0.13 0.00 0.00 32.58 31.24 1iw4 s HIS 33 CO 0.39 -0.05 -0.17 0.00 -2.47 0.00 0.00 174.74 172.44 1iw4 h ARG 34 N 5.93 0.00 -3.17 2.88 2.47 -1.86 -1.53 114.38 119.10 1iw4 h ARG 34 Ca -0.34 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.72 1iw4 h ARG 34 Cb 1.16 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.50 1iw4 h ARG 34 CO 0.49 0.00 3.68 -1.71 0.56 0.00 0.00 179.97 182.98 1iw4 n ASN 35 N -4.52 7.85 0.18 7.04 4.05 -1.26 -1.99 115.26 126.61 1iw4 n ASN 35 Ca -0.07 -2.59 0.17 0.00 0.45 0.00 0.00 54.58 52.55 1iw4 n ASN 35 Cb 0.25 -1.54 0.69 0.00 1.23 0.00 0.00 39.78 40.41 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 1iw4 h MET 36 N 5.24 0.00 0.51 1.20 1.85 -1.85 -1.33 114.93 120.56 1iw4 h MET 36 Ca 0.81 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.88 1iw4 h MET 36 Cb 0.32 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.36 1iw4 h MET 36 CO 1.78 0.00 -0.25 0.00 -0.40 0.00 0.00 176.91 178.04 1iw4 h ALA 38 N -1.53 1.09 -0.09 0.00 0.00 -1.44 -0.21 119.26 117.08 1iw4 h ALA 38 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1iw4 h ALA 38 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1iw4 h ALA 38 CO 0.12 -0.09 -0.33 -0.07 0.00 0.00 0.00 179.25 178.87 1iw4 h LEU 39 N 0.00 0.44 -1.43 0.00 3.38 -1.00 0.52 115.31 117.22 1iw4 h LEU 39 Ca 0.00 -0.62 0.06 0.00 0.09 0.00 0.00 57.88 57.40 1iw4 h LEU 39 Cb 0.21 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1iw4 h LEU 39 CO 0.00 0.99 0.44 0.00 0.09 0.00 0.00 178.44 179.96 1iw4 n GLU 42 N -3.32 3.09 -2.64 0.00 4.07 0.18 -5.00 120.64 117.03 1iw4 n GLU 42 Ca -0.26 -3.07 -0.29 0.00 -0.06 0.00 0.00 57.16 53.48 1iw4 n GLU 42 Cb 1.05 -2.11 -0.01 0.00 -0.06 0.00 0.00 31.44 30.31 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 -3.07 3.53 0.66 4.31 -3.43 0.21 -4.87 115.29 112.63 1iw4 s HIS 43 Ca 0.52 0.99 0.37 0.00 -0.80 0.00 0.00 55.06 56.15 1iw4 s HIS 43 Cb 0.43 -2.43 2.05 0.00 -1.43 0.00 0.00 32.58 31.21 1iw4 s HIS 43 CO 0.10 -0.25 2.17 -1.35 -2.00 0.00 0.00 174.74 173.41 1iw4 h PRO 44 N 0.64 0.00 0.00 -0.38 0.11 -1.94 -3.41 132.00 127.02 1iw4 h PRO 44 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iw4 h PRO 44 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1iw4 h PRO 44 CO 0.63 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1iw4 n GLY 45 N -1.16 -1.18 3.76 -0.55 0.00 -1.26 -4.94 105.19 99.86 1iw4 n GLY 45 Ca -0.02 0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.45 0.00 -0.02 0.00 -1.26 -4.98 105.19 98.48 1iw4 n GLY 46 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.61 0.00 -4.04 1.61 -1.74 -1.26 -4.73 117.46 102.69 1iw4 n PHE 47 Ca -0.07 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.74 1iw4 n PHE 47 Cb 0.58 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.49 1iw4 n PHE 47 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1iw4 s GLU 48 N 0.00 0.68 0.27 3.97 -1.05 -1.12 -4.29 118.70 117.16 1iw4 s GLU 48 Ca 0.00 -1.17 -0.12 0.00 -0.15 0.00 0.00 54.97 53.52 1iw4 s GLU 48 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1iw4 s GLU 48 CO 0.00 -0.15 0.51 1.52 0.95 0.00 0.00 175.26 178.09 1iw4 s TYR 49 N -3.91 0.40 -0.40 4.83 1.13 -1.26 -0.53 117.35 117.62 1iw4 s TYR 49 Ca 0.07 -0.77 0.03 0.00 -1.41 0.00 0.00 57.07 55.00 1iw4 s TYR 49 Cb 0.07 0.23 0.16 0.00 -1.10 0.00 0.00 41.96 41.32 1iw4 s TYR 49 CO -0.10 -1.06 0.31 -1.12 -2.51 0.00 0.00 175.55 171.07 1iw4 s SER 50 N -3.04 1.78 -0.02 -0.18 0.01 0.58 -4.30 113.70 108.53 1iw4 s SER 50 Ca 0.22 -2.85 -0.38 0.00 1.31 0.00 0.00 55.95 54.25 1iw4 s SER 50 Cb -0.01 -0.42 -0.17 0.00 0.21 0.00 0.00 66.02 65.63 1iw4 s SER 50 CO 0.10 -0.20 1.41 0.59 0.41 0.00 0.00 173.24 175.54 1iw4 n ASN 51 N 3.14 1.60 0.00 2.44 4.13 -1.26 -1.59 115.26 123.72 1iw4 n ASN 51 Ca 0.26 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.63 1iw4 n ASN 51 Cb 0.45 -1.14 0.00 0.00 -1.54 0.00 0.00 39.78 37.55 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 2.82 1.04 3.71 7.41 0.00 -0.81 -4.89 105.19 114.46 1iw4 n GLY 52 Ca 0.21 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 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 0.69 1.79 0.13 1.61 -0.04 -1.23 -4.16 135.00 133.80 1iw4 n PRO 53 Ca 0.00 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1iw4 n PRO 53 Cb 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1iw4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46