#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujl s ILE 2 N 0.00 5.03 -0.92 0.00 -1.09 -1.26 -5.03 121.20 117.93 1ujl s ILE 2 Ca 0.00 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.38 1ujl s ILE 2 Cb 0.00 -3.69 0.26 0.00 -1.58 0.00 0.00 42.46 37.45 1ujl s ILE 2 CO 0.00 -0.26 2.13 0.61 -1.23 0.00 0.00 174.94 176.19 1ujl n GLY 3 N -1.08 5.51 0.00 6.18 0.00 -1.26 -4.29 105.19 110.25 1ujl n GLY 3 Ca -0.08 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.58 1ujl n GLY 3 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ujl n ASN 4 N 0.20 3.02 -4.49 1.61 5.15 -1.26 -5.01 115.26 114.48 1ujl n ASN 4 Ca 0.52 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 54.08 1ujl n ASN 4 Cb 0.29 0.01 -0.11 0.00 -0.53 0.00 0.00 39.78 39.44 1ujl n ASN 4 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1ujl n MET 5 N -2.24 0.39 0.00 1.20 1.56 -1.26 -3.77 117.12 113.01 1ujl n MET 5 Ca 0.00 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1ujl n MET 5 Cb 0.38 -2.12 0.00 0.00 2.15 0.00 0.00 33.22 33.62 1ujl n MET 5 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1ujl n GLU 6 N 8.52 0.00 -3.14 2.12 2.13 -1.26 -5.14 120.64 123.88 1ujl n GLU 6 Ca 0.55 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.99 1ujl n GLU 6 Cb 0.18 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.83 1ujl n GLU 6 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1ujl s GLN 7 N -0.97 4.33 -0.30 5.31 0.74 -1.25 -5.01 119.66 122.51 1ujl s GLN 7 Ca 0.00 0.90 -0.29 0.00 0.05 0.00 0.00 55.36 56.02 1ujl s GLN 7 Cb 0.00 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 1ujl s GLN 7 CO 0.00 0.55 1.72 -1.25 -0.55 0.00 0.00 175.29 175.76 1ujl s PRO 8 N -1.36 3.51 -0.06 1.67 0.04 -1.26 -4.82 135.00 132.72 1ujl s PRO 8 Ca 0.35 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1ujl s PRO 8 Cb -0.20 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 1ujl s PRO 8 CO 0.22 -1.65 -0.08 0.72 0.04 0.00 0.00 177.00 176.26 1ujl n HIS 9 N 9.56 0.00 -3.22 0.56 8.25 -1.26 -4.91 115.22 124.20 1ujl n HIS 9 Ca 0.21 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.43 1ujl n HIS 9 Cb 0.46 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 1ujl n HIS 9 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ujl n MET 10 N -3.25 1.13 0.00 -0.41 2.81 -1.26 -4.95 117.12 111.19 1ujl n MET 10 Ca -0.12 -3.54 0.00 0.00 -1.81 0.00 0.00 57.70 52.23 1ujl n MET 10 Cb 0.59 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1ujl n MET 10 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ujl n ASP 11 N 1.13 0.00 -3.02 7.83 9.92 -1.26 -5.11 116.55 126.05 1ujl n ASP 11 Ca 0.23 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.36 1ujl n ASP 11 Cb 0.52 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.02 1ujl n ASP 11 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ujl n SER 12 N -0.94 -7.26 0.00 -2.24 2.88 -1.26 -4.96 113.62 99.84 1ujl n SER 12 Ca 0.00 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1ujl n SER 12 Cb 0.00 -4.14 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 1ujl n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ujl n ARG 13 N 0.07 0.00 -2.98 -1.46 1.74 -1.26 -4.71 116.66 108.06 1ujl n ARG 13 Ca 0.04 0.26 -0.38 0.00 -0.77 0.00 0.00 57.85 57.00 1ujl n ARG 13 Cb 0.43 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 1ujl n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ujl s ILE 14 N -1.90 4.40 0.00 0.55 -1.09 -1.26 -4.80 121.20 117.10 1ujl s ILE 14 Ca 0.00 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 1ujl s ILE 14 Cb 0.00 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1ujl s ILE 14 CO 0.00 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1ujl n GLY 15 N 1.18 0.00 0.22 6.18 0.00 -1.26 -4.99 105.19 106.51 1ujl n GLY 15 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ujl n GLY 15 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1ujl h TRP 16 N 0.00 0.07 0.00 1.61 5.08 -1.96 1.01 115.95 121.75 1ujl h TRP 16 Ca 0.00 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.01 1ujl h TRP 16 Cb 0.00 0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 26.22 1ujl h TRP 16 CO 0.00 -0.10 -0.00 -0.07 -1.28 0.00 0.00 178.44 176.99 1ujl h LEU 17 N 0.18 0.00 -2.66 0.11 3.38 -2.00 -0.33 115.31 113.98 1ujl h LEU 17 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ujl h LEU 17 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ujl h LEU 17 CO -0.45 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.50 1ujl n HIS 18 N -3.10 1.36 0.02 1.13 8.25 0.34 -3.69 115.22 119.54 1ujl n HIS 18 Ca -0.01 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1ujl n HIS 18 Cb 0.19 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.93 1ujl n HIS 18 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ujl n ASN 19 N 0.42 0.15 0.29 0.41 2.85 -0.18 -4.77 115.26 114.44 1ujl n ASN 19 Ca 0.18 0.08 0.15 0.00 -0.11 0.00 0.00 54.58 54.88 1ujl n ASN 19 Cb 0.87 -0.00 0.90 0.00 1.24 0.00 0.00 39.78 42.78 1ujl n ASN 19 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 1ujl h LEU 20 N 0.00 0.00 -0.05 1.20 8.10 -1.62 -2.19 115.31 120.75 1ujl h LEU 20 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.03 1ujl h LEU 20 Cb 0.43 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.60 1ujl h LEU 20 CO 0.00 0.04 -0.35 1.23 -4.11 0.00 0.00 178.44 175.25 1ujl h GLY 21 N 0.29 -0.56 2.00 0.17 0.00 -1.73 -0.28 103.07 102.95 1ujl h GLY 21 Ca -0.00 0.42 -0.18 0.00 0.00 0.00 0.00 47.33 47.57 1ujl h GLY 21 CO 0.00 -0.23 -0.85 -1.80 0.00 0.00 0.00 176.54 173.66 1ujl h ASP 22 N -0.47 0.00 -0.91 0.19 3.58 -1.77 0.88 116.42 117.92 1ujl h ASP 22 Ca 0.07 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.59 1ujl h ASP 22 Cb 0.58 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.57 1ujl h ASP 22 CO -0.31 0.85 0.59 -0.61 -2.88 0.00 0.00 179.24 176.87 1ujl h GLN 23 N 0.00 0.97 0.00 0.28 5.75 -0.89 -3.31 115.11 117.91 1ujl h GLN 23 Ca -0.01 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 58.29 1ujl h GLN 23 Cb 1.65 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.95 1ujl h GLN 23 CO 0.11 0.64 -1.53 -0.89 -2.65 0.00 0.00 178.83 174.51 1ujl n ILE 24 N -4.50 0.53 0.00 2.39 5.41 -0.16 -5.05 119.36 117.98 1ujl n ILE 24 Ca 0.14 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1ujl n ILE 24 Cb 0.22 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 1ujl n ILE 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ujl n GLY 25 N 2.96 1.58 3.76 7.39 0.00 0.29 -5.09 105.19 116.09 1ujl n GLY 25 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1ujl n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ujl s LYS 26 N -0.03 4.22 -0.06 1.61 -2.85 -0.52 -4.95 119.74 117.16 1ujl s LYS 26 Ca 0.00 0.47 -0.26 0.00 -1.00 0.00 0.00 55.97 55.17 1ujl s LYS 26 Cb 0.00 -3.36 -0.22 0.00 -2.06 0.00 0.00 37.83 32.19 1ujl s LYS 26 CO 0.00 0.35 1.07 -1.00 0.10 0.00 0.00 175.35 175.87 1ujl h PRO 27 N 5.97 0.04 0.00 1.78 0.13 -1.96 -3.38 132.00 134.59 1ujl h PRO 27 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ujl h PRO 27 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ujl h PRO 27 CO 0.71 0.73 0.00 2.48 -0.23 0.00 0.00 178.00 181.69 1ujl n TYR 28 N -4.71 0.00 -3.18 1.56 0.18 -1.26 -4.96 117.16 104.79 1ujl n TYR 28 Ca -0.09 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.32 1ujl n TYR 28 Cb 0.37 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.31 1ujl n TYR 28 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1ujl n ASN 29 N 0.00 5.42 -2.91 9.48 6.94 -1.26 -4.86 115.26 128.07 1ujl n ASN 29 Ca 0.00 -3.41 -0.36 0.00 -0.02 0.00 0.00 54.58 50.80 1ujl n ASN 29 Cb 0.00 -1.06 0.02 0.00 -2.36 0.00 0.00 39.78 36.38 1ujl n ASN 29 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ujl n SER 30 N 1.23 6.52 0.00 0.53 3.41 -1.26 -4.28 113.62 119.76 1ujl n SER 30 Ca 0.27 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 1ujl n SER 30 Cb 0.36 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1ujl n SER 30 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujl n SER 31 N -0.43 0.00 -2.39 4.04 2.88 -1.26 -5.00 113.62 111.46 1ujl n SER 31 Ca 0.47 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.74 1ujl n SER 31 Cb 0.36 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.83 1ujl n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujl n GLY 32 N -0.44 6.07 3.84 0.46 0.00 -1.26 -5.06 105.19 108.80 1ujl n GLY 32 Ca 0.00 -2.70 -0.32 0.00 0.00 0.00 0.00 46.02 43.00 1ujl n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ujl s LEU 33 N -3.61 3.59 0.00 0.99 2.96 -1.26 -5.03 118.68 116.31 1ujl s LEU 33 Ca 0.50 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 1ujl s LEU 33 Cb 0.41 -4.51 0.00 0.00 0.50 0.00 0.00 46.19 42.59 1ujl s LEU 33 CO -0.14 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 174.83 1ujl n GLY 34 N -1.57 3.87 0.00 7.98 0.00 -1.26 -5.13 105.19 109.08 1ujl n GLY 34 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1ujl n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujl n GLY 35 N 0.00 -1.23 0.18 -0.02 0.00 -1.26 -5.00 105.19 97.85 1ujl n GLY 35 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 1ujl n GLY 35 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ujl h PRO 36 N 0.00 0.47 -0.23 1.61 0.11 -2.03 -1.11 132.00 130.82 1ujl h PRO 36 Ca 0.00 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.13 1ujl h PRO 36 Cb 0.00 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 30.96 1ujl h PRO 36 CO 0.00 0.31 -0.09 0.77 -0.21 0.00 0.00 178.00 178.78 1ujl h SER 37 N 0.48 -0.30 0.50 -2.05 0.02 -1.98 -1.33 113.55 108.89 1ujl h SER 37 Ca 0.17 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ujl h SER 37 Cb 0.02 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ujl h SER 37 CO -0.08 -0.12 -0.24 0.40 -1.14 0.00 0.00 176.83 175.65 1ujl h ILE 38 N -0.05 0.49 -1.11 3.27 5.03 -1.91 -0.27 117.51 122.96 1ujl h ILE 38 Ca 0.12 -0.16 0.32 0.00 -0.12 0.00 0.00 64.86 65.02 1ujl h ILE 38 Cb 0.23 0.56 -0.04 0.00 -3.03 0.00 0.00 36.82 34.53 1ujl h ILE 38 CO -0.26 0.03 0.82 0.50 -0.68 0.00 0.00 178.15 178.55 1ujl h LYS 39 N -0.78 0.00 0.00 2.37 3.64 -1.01 1.15 116.57 121.94 1ujl h LYS 39 Ca -0.07 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1ujl h LYS 39 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1ujl h LYS 39 CO 0.11 0.00 -1.05 -0.44 -2.27 0.00 0.00 179.45 175.80 1ujl h ASP 40 N 0.00 0.00 1.15 4.20 3.32 -0.77 -3.24 116.42 121.09 1ujl h ASP 40 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1ujl h ASP 40 Cb 2.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.71 1ujl h ASP 40 CO -0.01 0.57 0.00 0.50 -1.72 0.00 0.00 179.24 178.58 1ujl h LYS 41 N 0.00 0.00 0.00 3.56 1.63 0.31 -3.51 116.57 118.56 1ujl h LYS 41 Ca -0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1ujl h LYS 41 Cb 1.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1ujl h LYS 41 CO 0.06 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.72