#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur6 s GLU 13 N 0.00 2.40 -0.41 5.55 2.12 -1.26 -0.29 118.70 126.81 1ur6 s GLU 13 Ca 0.00 -0.83 -0.23 0.00 0.36 0.00 0.00 54.97 54.27 1ur6 s GLU 13 Cb 0.00 -2.22 0.02 0.00 0.26 0.00 0.00 34.13 32.19 1ur6 s GLU 13 CO 0.00 0.53 0.77 0.00 -0.54 0.00 0.00 175.26 176.02 1ur6 n PRO 15 N 6.55 0.60 0.17 0.00 -0.04 -1.26 -0.51 135.00 140.52 1ur6 n PRO 15 Ca 0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 1ur6 n PRO 15 Cb 0.48 -1.33 0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1ur6 n PRO 15 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ur6 h LEU 16 N 0.00 0.00 -2.23 1.53 3.38 -1.96 -3.38 115.31 112.65 1ur6 h LEU 16 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1ur6 h LEU 16 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1ur6 h LEU 16 CO 0.00 0.27 -0.27 0.00 0.09 0.00 0.00 178.44 178.53 1ur6 n MET 18 N -0.14 -0.67 -3.61 0.00 2.81 0.34 -4.99 117.12 110.85 1ur6 n MET 18 Ca -0.26 0.62 -0.13 0.00 -1.81 0.00 0.00 57.70 56.12 1ur6 n MET 18 Cb 0.69 -0.85 -0.07 0.00 -0.71 0.00 0.00 33.22 32.29 1ur6 n MET 18 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1ur6 s GLU 19 N -1.00 0.78 0.49 0.03 1.03 -1.14 -4.96 118.70 113.93 1ur6 s GLU 19 Ca 0.12 0.73 -0.23 0.00 0.03 0.00 0.00 54.97 55.63 1ur6 s GLU 19 Cb -0.01 0.38 -0.06 0.00 -0.80 0.00 0.00 34.13 33.63 1ur6 s GLU 19 CO 0.28 -0.13 1.26 -1.25 -1.33 0.00 0.00 175.26 174.09 1ur6 s PRO 20 N -0.01 3.53 -0.15 -4.83 0.04 -1.26 -0.43 135.00 131.89 1ur6 s PRO 20 Ca -0.01 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.97 1ur6 s PRO 20 Cb -0.04 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1ur6 s PRO 20 CO 0.01 -0.80 0.08 -0.51 0.04 0.00 0.00 177.00 175.82 1ur6 s LEU 21 N -3.16 3.98 0.76 -3.56 1.02 0.60 -4.84 118.68 113.48 1ur6 s LEU 21 Ca 0.66 0.22 -0.06 0.00 0.02 0.00 0.00 54.13 54.97 1ur6 s LEU 21 Cb -0.34 -1.98 0.12 0.00 0.02 0.00 0.00 46.19 44.00 1ur6 s LEU 21 CO 0.42 0.28 1.06 -0.70 0.02 0.00 0.00 176.35 177.43 1ur6 s GLU 22 N -0.27 1.67 0.22 1.70 2.56 -1.26 -4.67 118.70 118.64 1ur6 s GLU 22 Ca 0.09 -0.65 -0.14 0.00 0.00 0.00 0.00 54.97 54.27 1ur6 s GLU 22 Cb -0.12 -2.18 0.24 0.00 2.00 0.00 0.00 34.13 34.08 1ur6 s GLU 22 CO 0.01 -1.55 1.60 0.82 -0.56 0.00 0.00 175.26 175.58 1ur6 h ILE 23 N -0.77 0.25 -0.58 -3.70 2.04 -1.99 0.47 117.51 113.23 1ur6 h ILE 23 Ca -0.41 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 1ur6 h ILE 23 Cb 1.28 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1ur6 h ILE 23 CO 0.47 0.00 -0.03 -0.78 0.00 0.00 0.00 178.15 177.81 1ur6 h ASP 24 N -0.04 1.03 -0.28 1.72 3.58 -1.96 -3.00 116.42 117.46 1ur6 h ASP 24 Ca 0.31 -0.31 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 1ur6 h ASP 24 Cb 0.53 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1ur6 h ASP 24 CO -0.72 1.10 -0.31 0.44 -2.88 0.00 0.00 179.24 176.87 1ur6 h ASP 25 N 0.95 0.83 0.16 2.28 5.19 -1.37 -2.70 116.42 121.76 1ur6 h ASP 25 Ca 0.16 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 1ur6 h ASP 25 Cb 0.59 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1ur6 h ASP 25 CO 0.04 1.08 -0.12 0.40 -3.12 0.00 0.00 179.24 177.51 1ur6 h ILE 26 N 0.68 0.97 -0.53 0.35 2.04 -0.06 -1.31 117.51 119.65 1ur6 h ILE 26 Ca 0.08 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1ur6 h ILE 26 Cb 0.85 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1ur6 h ILE 26 CO 0.07 0.12 0.05 0.59 0.00 0.00 0.00 178.15 178.99 1ur6 n ASN 27 N -4.21 5.04 -4.14 1.72 4.13 -1.07 -4.83 115.26 111.89 1ur6 n ASN 27 Ca -0.03 -3.04 -0.37 0.00 1.68 0.00 0.00 54.58 52.82 1ur6 n ASN 27 Cb 0.20 -0.66 -0.11 0.00 -1.54 0.00 0.00 39.78 37.67 1ur6 n ASN 27 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1ur6 s PHE 28 N -2.85 3.55 -0.21 3.10 5.36 -0.49 -5.04 117.98 121.39 1ur6 s PHE 28 Ca 0.52 -2.28 0.00 0.00 -0.96 0.00 0.00 56.93 54.21 1ur6 s PHE 28 Cb 0.40 -3.27 0.05 0.00 -0.34 0.00 0.00 43.02 39.87 1ur6 s PHE 28 CO 0.13 -0.98 -0.05 -0.59 -1.46 0.00 0.00 175.22 172.28 1ur6 s PHE 29 N 1.19 2.07 -0.97 10.12 -0.12 -1.26 -1.08 117.98 127.94 1ur6 s PHE 29 Ca 0.07 -1.48 0.01 0.00 -0.05 0.00 0.00 56.93 55.49 1ur6 s PHE 29 Cb -0.24 -1.46 0.07 0.00 -0.63 0.00 0.00 43.02 40.77 1ur6 s PHE 29 CO -0.03 -0.72 0.62 -0.35 -0.05 0.00 0.00 175.22 174.69 1ur6 n PRO 30 N 4.77 1.33 -3.64 1.99 -0.04 -1.26 -4.70 135.00 133.45 1ur6 n PRO 30 Ca -0.12 -0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 63.01 1ur6 n PRO 30 Cb 0.45 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 1ur6 n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ur6 n THR 32 N 4.18 3.80 -2.05 0.00 5.66 -1.26 -4.09 114.28 120.52 1ur6 n THR 32 Ca -0.20 -3.67 -0.01 0.00 -3.05 0.00 0.00 64.05 57.12 1ur6 n THR 32 Cb 0.59 -2.49 -0.01 0.00 -1.55 0.00 0.00 70.33 66.87 1ur6 n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ur6 n GLY 34 N 0.05 0.49 3.30 0.00 0.00 -1.26 -4.97 105.19 102.80 1ur6 n GLY 34 Ca -0.03 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 1ur6 n GLY 34 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ur6 s TYR 35 N -1.92 3.88 0.05 1.61 6.14 -1.26 -5.03 117.35 120.81 1ur6 s TYR 35 Ca 0.00 -2.28 -0.19 0.00 0.64 0.00 0.00 57.07 55.24 1ur6 s TYR 35 Cb 0.00 -3.75 -0.06 0.00 0.42 0.00 0.00 41.96 38.57 1ur6 s TYR 35 CO 0.00 -0.96 0.55 1.14 0.64 0.00 0.00 175.55 176.93 1ur6 s GLN 36 N -0.30 4.19 0.14 4.97 -2.07 -1.26 -4.23 119.66 121.10 1ur6 s GLN 36 Ca 0.22 0.70 0.02 0.00 -1.82 0.00 0.00 55.36 54.48 1ur6 s GLN 36 Cb -0.11 -3.26 -0.04 0.00 -1.09 0.00 0.00 33.01 28.51 1ur6 s GLN 36 CO -0.08 0.59 -0.05 0.96 -1.32 0.00 0.00 175.29 175.39 1ur6 s ILE 37 N -0.93 0.80 0.46 3.63 -4.36 -0.24 -4.97 121.20 115.58 1ur6 s ILE 37 Ca 0.29 -1.98 -0.17 0.00 -0.26 0.00 0.00 60.65 58.52 1ur6 s ILE 37 Cb -0.19 -1.90 -0.09 0.00 1.25 0.00 0.00 42.46 41.53 1ur6 s ILE 37 CO 0.18 -0.68 0.93 0.00 0.24 0.00 0.00 174.94 175.61 1ur6 h ARG 39 N 1.42 0.80 0.00 0.00 2.47 -1.93 0.27 114.38 117.41 1ur6 h ARG 39 Ca -0.48 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.17 1ur6 h ARG 39 Cb 1.18 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1ur6 h ARG 39 CO 0.62 0.53 -0.14 0.74 0.56 0.00 0.00 179.97 182.28 1ur6 h PHE 40 N 0.82 0.00 0.23 3.04 0.04 -2.01 -2.20 116.94 116.87 1ur6 h PHE 40 Ca 0.32 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.75 1ur6 h PHE 40 Cb 0.21 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.38 1ur6 h PHE 40 CO -0.00 0.14 -1.56 0.00 -0.60 0.00 0.00 178.31 176.28 1ur6 h TRP 42 N 0.11 0.18 -0.79 0.00 7.01 -0.91 0.17 115.95 121.73 1ur6 h TRP 42 Ca -0.29 0.00 0.08 0.00 2.11 0.00 0.00 58.89 60.79 1ur6 h TRP 42 Cb 2.13 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 29.08 1ur6 h TRP 42 CO 0.12 0.14 0.52 1.25 -2.79 0.00 0.00 178.44 177.68 1ur6 h HIS 43 N 0.17 0.82 0.21 2.65 2.76 -1.56 -0.72 115.15 119.48 1ur6 h HIS 43 Ca 0.05 0.02 -0.31 0.00 -2.20 0.00 0.00 60.37 57.93 1ur6 h HIS 43 Cb 0.01 -0.27 0.03 0.00 1.55 0.00 0.00 27.41 28.72 1ur6 h HIS 43 CO -0.06 0.41 -1.42 0.00 -1.30 0.00 0.00 177.93 175.56 1ur6 h ARG 44 N 0.79 0.44 -0.96 5.26 3.08 -1.55 -3.28 114.38 118.15 1ur6 h ARG 44 Ca 0.35 -0.75 0.01 0.00 0.07 0.00 0.00 59.98 59.67 1ur6 h ARG 44 Cb 0.34 0.28 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 1ur6 h ARG 44 CO -0.13 1.36 0.64 0.82 -1.07 0.00 0.00 179.97 181.59 1ur6 h ILE 45 N -0.00 1.24 -0.17 2.04 2.04 -0.26 0.71 117.51 123.11 1ur6 h ILE 45 Ca -0.26 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1ur6 h ILE 45 Cb 2.02 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1ur6 h ILE 45 CO 0.21 0.24 0.00 -1.14 0.00 0.00 0.00 178.15 177.46 1ur6 n ARG 46 N -4.42 1.60 0.01 2.37 0.63 -0.31 -2.74 116.66 113.81 1ur6 n ARG 46 Ca 0.11 -0.69 0.00 0.00 -0.92 0.00 0.00 57.85 56.36 1ur6 n ARG 46 Cb 0.02 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1ur6 n ARG 46 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1ur6 n THR 47 N 0.07 0.02 0.09 5.15 -1.04 -0.60 -4.87 114.28 113.10 1ur6 n THR 47 Ca 0.06 0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1ur6 n THR 47 Cb 0.27 -0.73 -0.07 0.00 -1.82 0.00 0.00 70.33 67.97 1ur6 n THR 47 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1ur6 h ASP 48 N 0.00 0.27 -4.59 8.00 3.32 0.22 -3.46 116.42 120.17 1ur6 h ASP 48 Ca 0.00 -0.25 -0.25 0.00 0.02 0.00 0.00 57.03 56.54 1ur6 h ASP 48 Cb 0.21 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1ur6 h ASP 48 CO 0.00 1.13 -0.12 1.21 -1.72 0.00 0.00 179.24 179.74 1ur6 n GLU 49 N -3.56 1.11 0.19 3.56 0.00 -1.11 -5.01 120.64 115.82 1ur6 n GLU 49 Ca -0.05 -1.53 0.06 0.00 0.00 0.00 0.00 57.16 55.65 1ur6 n GLU 49 Cb 0.90 0.15 0.35 0.00 0.00 0.00 0.00 31.44 32.84 1ur6 n GLU 49 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1ur6 h ASN 50 N 0.28 0.00 -1.18 4.31 -0.73 -1.90 -3.42 115.58 112.92 1ur6 h ASN 50 Ca -0.15 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.02 1ur6 h ASN 50 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1ur6 h ASN 50 CO 0.24 0.35 0.00 0.61 -0.37 0.00 0.00 177.43 178.26 1ur6 n GLY 51 N 0.23 0.89 3.30 1.57 0.00 -1.12 -4.92 105.19 105.13 1ur6 n GLY 51 Ca -0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 1ur6 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ur6 s LEU 52 N -1.16 2.29 0.10 0.99 1.43 -1.26 -3.62 118.68 117.45 1ur6 s LEU 52 Ca 0.00 -1.15 -0.31 0.00 -1.03 0.00 0.00 54.13 51.64 1ur6 s LEU 52 Cb 0.00 -0.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.85 1ur6 s LEU 52 CO 0.00 -0.46 1.64 0.00 0.23 0.00 0.00 176.35 177.76 1ur6 n PRO 54 N 5.11 0.00 -1.51 0.00 -0.02 -1.26 -2.68 135.00 134.63 1ur6 n PRO 54 Ca 0.15 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 1ur6 n PRO 54 Cb 0.40 -0.08 -0.01 0.00 -0.02 0.00 0.00 33.50 33.79 1ur6 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ur6 n ALA 55 N -3.00 6.15 0.00 3.55 0.00 -1.26 -3.08 120.51 122.87 1ur6 n ALA 55 Ca 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1ur6 n ALA 55 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 15.98 1ur6 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ur6 n ARG 57 N -0.73 -6.25 -3.71 0.00 5.12 -1.09 -5.02 116.66 104.99 1ur6 n ARG 57 Ca 0.00 0.77 -0.14 0.00 -1.93 0.00 0.00 57.85 56.55 1ur6 n ARG 57 Cb 0.00 -5.57 -0.08 0.00 -1.16 0.00 0.00 32.46 25.64 1ur6 n ARG 57 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1ur6 s LYS 58 N -5.40 0.73 0.79 5.56 -0.14 -1.26 -4.99 119.74 115.04 1ur6 s LYS 58 Ca 0.09 -0.01 -0.13 0.00 -1.36 0.00 0.00 55.97 54.55 1ur6 s LYS 58 Cb -0.04 0.33 0.20 0.00 -1.68 0.00 0.00 37.83 36.64 1ur6 s LYS 58 CO 0.67 -0.20 0.62 -0.35 -0.76 0.00 0.00 175.35 175.32 1ur6 n PRO 59 N 1.37 -2.78 -4.83 -1.68 -0.04 -1.26 0.72 135.00 126.50 1ur6 n PRO 59 Ca -0.20 -1.00 -0.31 0.00 -0.04 0.00 0.00 63.50 61.95 1ur6 n PRO 59 Cb 0.56 -1.04 -0.14 0.00 -0.04 0.00 0.00 33.50 32.84 1ur6 n PRO 59 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ur6 s TYR 60 N -2.02 2.45 0.00 0.54 2.02 -1.24 -4.39 117.35 114.70 1ur6 s TYR 60 Ca 0.42 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1ur6 s TYR 60 Cb -0.05 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1ur6 s TYR 60 CO 0.33 0.17 0.00 -0.35 -1.57 0.00 0.00 175.55 174.14 1ur6 n PRO 61 N 1.75 -0.04 -3.55 -1.71 -0.04 -1.26 -4.59 135.00 125.57 1ur6 n PRO 61 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1ur6 n PRO 61 Cb 0.52 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.05 1ur6 n PRO 61 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ur6 n GLU 62 N -0.84 -6.19 0.00 0.54 2.13 -1.26 -5.10 120.64 109.93 1ur6 n GLU 62 Ca 0.00 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1ur6 n GLU 62 Cb 0.00 -5.65 0.00 0.00 0.27 0.00 0.00 31.44 26.06 1ur6 n GLU 62 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25