#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 0.00 0.00 -0.00 0.31 -4.84 115.22 110.69 1iw4 n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1iw4 n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 1.12 0.00 1.57 0.00 -1.26 -4.84 117.12 113.71 1iw4 n MET 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1iw4 n MET 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.00 0.00 -3.64 6.12 8.00 -1.26 -4.95 116.55 120.82 1iw4 n ASP 4 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1iw4 n ASP 4 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw4 n THR 6 N 3.87 -0.02 0.00 0.00 -1.04 -1.26 -4.64 114.28 111.19 1iw4 n THR 6 Ca -0.18 1.18 0.00 0.00 -2.04 0.00 0.00 64.05 63.01 1iw4 n THR 6 Cb 0.58 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 1iw4 n THR 6 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1iw4 n GLU 7 N -3.56 0.00 0.00 -2.82 0.00 -1.26 -4.62 120.64 108.38 1iw4 n GLU 7 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.51 1iw4 n GLU 7 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.99 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1iw4 n PHE 8 N 0.00 0.00 0.00 4.31 -1.74 -1.26 -5.11 117.46 113.66 1iw4 n PHE 8 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1iw4 n PHE 8 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1iw4 n PHE 8 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1iw4 n ASN 9 N 0.00 0.00 -4.47 5.98 6.94 -1.26 -4.50 115.26 117.95 1iw4 n ASN 9 Ca 0.00 0.54 -0.43 0.00 -0.02 0.00 0.00 54.58 54.67 1iw4 n ASN 9 Cb 0.00 -0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 37.12 1iw4 n ASN 9 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1iw4 s PRO 10 N -1.37 3.59 1.00 -0.53 0.04 -1.26 -5.03 135.00 131.44 1iw4 s PRO 10 Ca 0.00 -1.62 -0.27 0.00 0.04 0.00 0.00 61.00 59.15 1iw4 s PRO 10 Cb 0.00 -4.99 -0.19 0.00 0.04 0.00 0.00 34.50 29.37 1iw4 s PRO 10 CO 0.00 -1.86 -1.45 1.28 0.04 0.00 0.00 177.00 175.01 1iw4 n LEU 11 N 7.02 -3.26 0.00 -3.56 4.32 -1.26 -3.36 117.00 116.90 1iw4 n LEU 11 Ca 0.25 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1iw4 n LEU 11 Cb 0.49 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1iw4 n LEU 11 CO 0.54 -2.85 0.00 0.00 -1.22 0.00 0.00 177.39 173.86 1iw4 n ARG 13 N 0.00 2.00 -3.92 0.00 3.00 -1.21 -4.57 116.66 111.96 1iw4 n ARG 13 Ca 0.00 -1.96 -0.29 0.00 -0.01 0.00 0.00 57.85 55.59 1iw4 n ARG 13 Cb 0.00 -1.77 -0.16 0.00 0.00 0.00 0.00 32.46 30.53 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iw4 h ASN 15 N 8.06 0.18 0.00 0.00 -0.26 -2.01 -3.43 115.58 118.12 1iw4 h ASN 15 Ca -0.23 -0.88 0.00 0.00 -0.56 0.00 0.00 56.30 54.63 1iw4 h ASN 15 Cb 1.10 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 1iw4 h ASN 15 CO 0.42 1.29 0.00 2.29 -1.06 0.00 0.00 177.43 180.37 1iw4 n LYS 16 N -4.34 0.00 -0.86 0.81 2.85 -1.26 -4.55 118.16 110.80 1iw4 n LYS 16 Ca -0.18 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.96 1iw4 n LYS 16 Cb 0.67 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.92 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 1.82 -2.69 -1.58 1.56 -1.26 -3.90 117.12 111.07 1iw4 n MET 17 Ca 0.00 -0.95 -0.06 0.00 -0.27 0.00 0.00 57.70 56.43 1iw4 n MET 17 Cb 0.00 -1.99 0.08 0.00 2.15 0.00 0.00 33.22 33.46 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 2.71 -1.80 0.00 -0.89 -0.00 -1.26 -4.90 117.00 110.85 1iw4 n LEU 18 Ca 0.39 -2.44 0.00 0.00 -0.00 0.00 0.00 56.01 53.96 1iw4 n LEU 18 Cb 0.71 0.79 0.00 0.00 -0.00 0.00 0.00 43.42 44.92 1iw4 n LEU 18 CO 0.21 1.75 0.00 0.61 -0.00 0.00 0.00 177.39 179.96 1iw4 n GLY 19 N 1.10 1.91 3.10 1.47 0.00 -1.25 -5.15 105.19 106.37 1iw4 n GLY 19 Ca 0.02 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.36 -3.56 1.61 9.92 -1.26 -5.02 116.55 114.88 1iw4 n ASP 20 Ca 0.00 -0.54 -0.29 0.00 -0.53 0.00 0.00 54.79 53.42 1iw4 n ASP 20 Cb 0.00 -0.87 -0.14 0.00 -0.64 0.00 0.00 41.12 39.47 1iw4 n ASP 20 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1iw4 s LEU 21 N -2.91 1.06 0.29 0.64 2.96 -1.26 -4.52 118.68 114.94 1iw4 s LEU 21 Ca 0.48 -1.69 -0.08 0.00 -0.22 0.00 0.00 54.13 52.61 1iw4 s LEU 21 Cb -0.09 -0.49 -0.06 0.00 0.50 0.00 0.00 46.19 46.05 1iw4 s LEU 21 CO 0.43 -0.39 0.60 -0.51 -1.32 0.00 0.00 176.35 175.15 1iw4 s ILE 22 N 1.61 4.93 -0.55 6.68 -1.16 0.16 0.75 121.20 133.62 1iw4 s ILE 22 Ca 0.12 0.35 0.01 0.00 -0.51 0.00 0.00 60.65 60.63 1iw4 s ILE 22 Cb -0.19 -3.68 0.14 0.00 0.61 0.00 0.00 42.46 39.34 1iw4 s ILE 22 CO -0.22 -0.25 0.32 0.00 -2.81 0.00 0.00 174.94 171.99 1iw4 s ALA 24 N -0.12 3.77 0.02 0.00 0.00 -0.78 -1.87 121.76 122.77 1iw4 s ALA 24 Ca 0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 1iw4 s ALA 24 Cb -0.23 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 1iw4 s ALA 24 CO -0.02 0.64 0.06 0.54 0.00 0.00 0.00 175.76 176.98 1iw4 s VAL 25 N -1.60 0.11 -0.39 0.00 0.11 0.18 0.08 120.40 118.88 1iw4 s VAL 25 Ca 0.39 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.60 1iw4 s VAL 25 Cb -0.12 -0.49 0.16 0.00 -1.53 0.00 0.00 36.38 34.40 1iw4 s VAL 25 CO 0.23 -0.48 0.40 0.27 -3.33 0.00 0.00 175.10 172.19 1iw4 s ILE 26 N -1.72 -0.30 0.00 7.04 -0.00 -0.83 -2.64 121.20 122.75 1iw4 s ILE 26 Ca -0.13 -1.20 0.00 0.00 -0.00 0.00 0.00 60.65 59.32 1iw4 s ILE 26 Cb -0.07 -0.68 0.00 0.00 -0.00 0.00 0.00 42.46 41.71 1iw4 s ILE 26 CO -0.01 -0.62 0.00 0.61 -0.00 0.00 0.00 174.94 174.92 1iw4 n GLY 27 N 3.94 0.69 0.78 6.27 0.00 -1.26 -2.10 105.19 113.50 1iw4 n GLY 27 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 1.71 -0.08 -3.65 1.61 9.92 -1.26 -5.00 116.55 119.80 1iw4 n ASP 28 Ca 0.00 -1.64 -0.27 0.00 -0.53 0.00 0.00 54.79 52.35 1iw4 n ASP 28 Cb 0.00 -0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.35 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iw4 n ALA 29 N 0.08 3.29 -3.05 2.24 0.00 -0.89 -5.05 120.51 117.11 1iw4 n ALA 29 Ca -0.06 -4.10 -0.45 0.00 0.00 0.00 0.00 53.44 48.84 1iw4 n ALA 29 Cb 0.70 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 1iw4 n ALA 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1iw4 s LYS 30 N -1.16 3.04 0.02 0.00 2.20 -1.26 -1.96 119.74 120.61 1iw4 s LYS 30 Ca 0.30 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.60 1iw4 s LYS 30 Cb 0.02 -4.23 -0.01 0.00 -1.51 0.00 0.00 37.83 32.10 1iw4 s LYS 30 CO -0.15 -1.39 -0.03 -2.00 -0.36 0.00 0.00 175.35 171.41 1iw4 s GLU 31 N 2.38 0.26 1.00 4.03 2.12 0.11 -4.96 118.70 123.64 1iw4 s GLU 31 Ca 0.10 -0.43 -0.12 0.00 0.36 0.00 0.00 54.97 54.88 1iw4 s GLU 31 Cb -0.24 -0.01 0.19 0.00 0.26 0.00 0.00 34.13 34.33 1iw4 s GLU 31 CO 0.07 -0.01 1.09 -1.21 -0.54 0.00 0.00 175.26 174.66 1iw4 s GLU 32 N -0.97 0.40 0.20 4.30 2.02 -1.26 -1.87 118.70 121.51 1iw4 s GLU 32 Ca -0.09 0.50 -0.22 0.00 0.02 0.00 0.00 54.97 55.18 1iw4 s GLU 32 Cb -0.07 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.48 1iw4 s GLU 32 CO -0.00 -2.75 0.64 -1.58 0.02 0.00 0.00 175.26 171.58 1iw4 s HIS 33 N -2.97 -0.43 -0.06 1.61 2.46 0.12 -4.78 115.29 111.24 1iw4 s HIS 33 Ca 0.65 0.14 -0.02 0.00 0.47 0.00 0.00 55.06 56.30 1iw4 s HIS 33 Cb -0.19 0.61 -0.03 0.00 -0.13 0.00 0.00 32.58 32.84 1iw4 s HIS 33 CO 0.58 -0.97 -0.07 0.54 -2.47 0.00 0.00 174.74 172.34 1iw4 n ARG 34 N -0.40 0.14 -1.36 2.88 1.74 -1.26 0.40 116.66 118.80 1iw4 n ARG 34 Ca -0.13 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.62 1iw4 n ARG 34 Cb 0.63 -0.83 -0.02 0.00 -1.02 0.00 0.00 32.46 31.22 1iw4 n ARG 34 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iw4 n ASN 35 N -3.12 7.61 0.28 0.55 5.03 -1.26 -4.63 115.26 119.71 1iw4 n ASN 35 Ca -0.12 -2.61 0.15 0.00 0.87 0.00 0.00 54.58 52.87 1iw4 n ASN 35 Cb 0.60 -1.55 0.82 0.00 -1.02 0.00 0.00 39.78 38.62 1iw4 n ASN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1iw4 h MET 36 N 5.29 0.00 0.04 3.52 -0.00 -1.94 -1.25 114.93 120.59 1iw4 h MET 36 Ca 0.80 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 60.44 1iw4 h MET 36 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.95 1iw4 h MET 36 CO 1.79 0.00 -0.25 0.00 -0.00 0.00 0.00 176.91 178.45 1iw4 h ALA 38 N 0.03 1.00 0.16 0.00 0.00 -1.49 -1.33 119.26 117.63 1iw4 h ALA 38 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1iw4 h ALA 38 Cb 1.19 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1iw4 h ALA 38 CO 0.05 0.00 -1.50 -0.07 0.00 0.00 0.00 179.25 177.73 1iw4 h LEU 39 N 0.00 0.54 -0.66 0.00 4.07 -1.45 -2.69 115.31 115.12 1iw4 h LEU 39 Ca 0.00 -0.91 -0.14 0.00 0.08 0.00 0.00 57.88 56.91 1iw4 h LEU 39 Cb 0.16 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1iw4 h LEU 39 CO 0.00 1.68 -0.53 0.00 -1.08 0.00 0.00 178.44 178.51 1iw4 h GLU 42 N 0.35 0.29 -7.62 0.00 5.08 -1.41 -3.47 114.58 107.80 1iw4 h GLU 42 Ca -0.08 -0.50 -0.47 0.00 -1.00 0.00 0.00 59.36 57.31 1iw4 h GLU 42 Cb 1.52 0.19 0.10 0.00 0.50 0.00 0.00 28.75 31.06 1iw4 h GLU 42 CO 0.17 1.19 0.41 -1.01 -1.00 0.00 0.00 179.01 178.77 1iw4 s HIS 43 N -2.63 2.91 -0.74 4.33 3.76 0.19 -4.95 115.29 118.15 1iw4 s HIS 43 Ca -0.07 0.74 -0.26 0.00 -0.15 0.00 0.00 55.06 55.32 1iw4 s HIS 43 Cb 0.07 -3.51 -0.02 0.00 1.11 0.00 0.00 32.58 30.22 1iw4 s HIS 43 CO 0.87 -1.81 1.79 -2.14 -0.85 0.00 0.00 174.74 172.61 1iw4 s PRO 44 N -5.58 2.73 -1.87 8.40 0.02 -1.26 -3.48 135.00 133.96 1iw4 s PRO 44 Ca 0.62 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.77 1iw4 s PRO 44 Cb -0.11 -4.63 0.00 0.00 0.02 0.00 0.00 34.50 29.78 1iw4 s PRO 44 CO 0.49 -2.83 0.00 0.41 -0.33 0.00 0.00 177.00 174.74 1iw4 n GLY 45 N 6.09 1.68 0.09 0.52 0.00 -1.26 0.47 105.19 112.78 1iw4 n GLY 45 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.30 0.35 3.13 -0.02 0.00 -1.19 -3.17 105.19 104.00 1iw4 n GLY 46 Ca -0.18 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 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 2.26 -2.00 -2.55 1.61 3.01 -1.26 0.12 117.46 118.64 1iw4 n PHE 47 Ca 0.00 0.03 -0.41 0.00 1.01 0.00 0.00 57.45 58.07 1iw4 n PHE 47 Cb 0.00 -1.45 -0.02 0.00 -0.01 0.00 0.00 39.48 38.00 1iw4 n PHE 47 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1iw4 s GLU 48 N -3.49 3.74 0.19 -1.08 2.56 -1.08 -3.76 118.70 115.78 1iw4 s GLU 48 Ca 0.46 -1.51 0.10 0.00 0.00 0.00 0.00 54.97 54.03 1iw4 s GLU 48 Cb -0.08 -5.43 -0.04 0.00 2.00 0.00 0.00 34.13 30.57 1iw4 s GLU 48 CO 0.50 -2.28 -0.22 1.52 -0.56 0.00 0.00 175.26 174.22 1iw4 s TYR 49 N 4.82 2.13 -0.30 5.30 1.13 -1.26 0.48 117.35 129.66 1iw4 s TYR 49 Ca 0.50 -0.39 -0.03 0.00 -1.41 0.00 0.00 57.07 55.74 1iw4 s TYR 49 Cb 0.02 -1.05 0.10 0.00 -1.10 0.00 0.00 41.96 39.93 1iw4 s TYR 49 CO -0.01 0.46 0.13 -1.54 -2.51 0.00 0.00 175.55 172.07 1iw4 s SER 50 N -2.73 3.63 0.19 -0.18 1.04 -0.78 -4.45 113.70 110.42 1iw4 s SER 50 Ca 0.20 -1.39 -0.32 0.00 0.48 0.00 0.00 55.95 54.91 1iw4 s SER 50 Cb -0.07 -0.46 -0.15 0.00 0.10 0.00 0.00 66.02 65.44 1iw4 s SER 50 CO 0.09 -0.43 1.29 0.59 0.98 0.00 0.00 173.24 175.76 1iw4 n ASN 51 N 5.12 1.99 0.00 7.02 3.02 -1.26 -2.43 115.26 128.72 1iw4 n ASN 51 Ca -0.05 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 1iw4 n ASN 51 Cb 0.42 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1iw4 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iw4 n GLY 52 N 2.16 0.70 3.66 7.41 0.00 0.23 -4.89 105.19 114.46 1iw4 n GLY 52 Ca 0.14 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.74 4.27 0.00 1.61 0.04 -1.26 -4.30 135.00 134.62 1iw4 s PRO 53 Ca 0.00 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1iw4 s PRO 53 Cb 0.00 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1iw4 s PRO 53 CO 0.00 -0.52 0.00 0.00 0.04 0.00 0.00 177.00 176.52