#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 4.90 0.00 0.00 1.01 -1.26 -4.90 121.20 120.95 1ujl s ILE 2 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1ujl s ILE 2 Cb 0.00 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1ujl s ILE 2 CO 0.00 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.75 1ujl n GLY 3 N -2.13 0.10 2.19 6.18 0.00 -1.26 -4.98 105.19 105.30 1ujl n GLY 3 Ca 0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 6.12 -4.28 1.61 2.85 -1.26 -5.03 115.26 115.28 1ujl n ASN 4 Ca 0.00 -3.74 -0.34 0.00 -0.11 0.00 0.00 54.58 50.39 1ujl n ASN 4 Cb 0.00 -0.86 0.12 0.00 1.24 0.00 0.00 39.78 40.28 1ujl n ASN 4 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1ujl n MET 5 N -0.97 -0.62 -0.89 1.20 1.56 -1.26 -4.69 117.12 111.45 1ujl n MET 5 Ca 0.58 -0.16 -0.33 0.00 -0.27 0.00 0.00 57.70 57.53 1ujl n MET 5 Cb 0.96 -1.62 -0.04 0.00 2.15 0.00 0.00 33.22 34.67 1ujl n MET 5 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1ujl n GLU 6 N -0.87 1.56 -2.94 2.12 0.28 -1.26 -4.88 120.64 114.65 1ujl n GLU 6 Ca 0.03 -1.58 -0.19 0.00 -0.16 0.00 0.00 57.16 55.26 1ujl n GLU 6 Cb 0.58 -2.67 0.02 0.00 1.43 0.00 0.00 31.44 30.80 1ujl n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1ujl s GLN 7 N 4.50 2.79 -0.73 3.44 -0.21 -1.26 -4.96 119.66 123.23 1ujl s GLN 7 Ca 0.48 -0.96 -0.13 0.00 0.02 0.00 0.00 55.36 54.78 1ujl s GLN 7 Cb 0.12 -2.65 -0.10 0.00 1.00 0.00 0.00 33.01 31.38 1ujl s GLN 7 CO 0.07 -0.38 1.91 -0.35 -2.12 0.00 0.00 175.29 174.41 1ujl n PRO 8 N -2.02 1.57 -0.10 2.91 -0.04 -1.26 -4.39 135.00 131.67 1ujl n PRO 8 Ca 0.06 -1.49 -0.17 0.00 -0.04 0.00 0.00 63.50 61.86 1ujl n PRO 8 Cb 0.59 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 1ujl n PRO 8 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ujl n HIS 9 N 5.75 0.68 -1.92 0.54 8.25 -1.26 -4.65 115.22 122.61 1ujl n HIS 9 Ca 0.42 0.30 -0.01 0.00 -0.26 0.00 0.00 57.72 58.17 1ujl n HIS 9 Cb 0.24 -0.91 0.13 0.00 1.12 0.00 0.00 29.99 30.56 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 -4.46 1.71 0.00 -0.41 2.81 -1.26 -4.86 117.12 110.65 1ujl n MET 10 Ca -0.27 -3.26 0.00 0.00 -1.81 0.00 0.00 57.70 52.37 1ujl n MET 10 Cb 0.58 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1ujl n MET 10 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ujl n ASP 11 N -0.72 0.00 -3.59 7.83 2.03 -1.26 -5.16 116.55 115.67 1ujl n ASP 11 Ca 0.21 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.53 1ujl n ASP 11 Cb 0.83 -0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 41.21 1ujl n ASP 11 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ujl s SER 12 N -2.22 -0.01 -0.25 1.67 0.15 -1.26 -5.07 113.70 106.71 1ujl s SER 12 Ca 0.00 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.54 1ujl s SER 12 Cb 0.00 0.01 -0.11 0.00 -1.71 0.00 0.00 66.02 64.21 1ujl s SER 12 CO 0.00 -0.02 -0.30 -1.14 1.20 0.00 0.00 173.24 172.97 1ujl n ARG 13 N -0.30 0.53 0.00 5.44 0.63 -1.26 -4.63 116.66 117.07 1ujl n ARG 13 Ca -0.04 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1ujl n ARG 13 Cb 0.61 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 32.13 1ujl n ARG 13 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1ujl n ILE 14 N -3.99 0.00 -1.00 5.15 3.06 -1.26 -4.85 119.36 116.47 1ujl n ILE 14 Ca -0.48 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 59.77 1ujl n ILE 14 Cb 0.86 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 41.04 1ujl n ILE 14 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ujl n GLY 15 N 0.00 0.47 0.35 4.50 0.00 -1.26 -4.92 105.19 104.33 1ujl n GLY 15 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 1.04 0.00 1.61 5.08 -2.00 1.16 115.95 122.84 1ujl h TRP 16 Ca -0.00 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.99 1ujl h TRP 16 Cb 0.02 -0.31 -0.00 0.00 -3.00 0.00 0.00 29.16 25.86 1ujl h TRP 16 CO 0.01 0.29 -0.08 -0.07 -1.28 0.00 0.00 178.44 177.31 1ujl h LEU 17 N 0.80 0.00 -2.82 0.11 3.38 -2.01 -1.51 115.31 113.26 1ujl h LEU 17 Ca 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 1ujl h LEU 17 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ujl h LEU 17 CO -0.35 0.08 0.04 1.41 0.09 0.00 0.00 178.44 179.71 1ujl n HIS 18 N -3.28 1.50 0.00 1.13 8.25 0.40 -3.95 115.22 119.27 1ujl n HIS 18 Ca -0.01 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 1ujl n HIS 18 Cb 0.29 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 0.34 0.58 0.28 0.41 5.15 -0.61 -4.76 115.26 116.65 1ujl n ASN 19 Ca 0.21 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.33 1ujl n ASN 19 Cb 0.94 0.00 0.85 0.00 -0.53 0.00 0.00 39.78 41.05 1ujl n ASN 19 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1ujl h LEU 20 N 0.00 0.00 -0.69 1.20 8.10 -1.60 -2.13 115.31 120.19 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 0.55 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.72 1ujl h LEU 20 CO 0.00 0.00 0.42 1.23 -4.11 0.00 0.00 178.44 175.98 1ujl h GLY 21 N 0.00 1.00 1.60 0.17 0.00 -1.85 -1.53 103.07 102.46 1ujl h GLY 21 Ca 0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 46.78 1ujl h GLY 21 CO -0.00 0.24 -1.28 -1.80 0.00 0.00 0.00 176.54 173.71 1ujl h ASP 22 N 0.81 0.16 -0.77 0.19 1.82 -1.73 -1.09 116.42 115.81 1ujl h ASP 22 Ca 0.29 -0.20 0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1ujl h ASP 22 Cb 0.07 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 39.98 1ujl h ASP 22 CO -0.13 1.16 0.49 1.56 -1.61 0.00 0.00 179.24 180.71 1ujl h GLN 23 N 0.03 0.93 0.00 0.28 7.50 -1.09 -3.37 115.11 119.39 1ujl h GLN 23 Ca -0.13 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 58.96 1ujl h GLN 23 Cb 1.90 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 29.22 1ujl h GLN 23 CO 0.14 0.62 -0.25 -0.89 -1.50 0.00 0.00 178.83 176.94 1ujl n ILE 24 N -4.61 0.41 0.00 2.54 5.41 -0.60 -5.09 119.36 117.42 1ujl n ILE 24 Ca 0.09 0.40 0.00 0.00 1.00 0.00 0.00 62.75 64.24 1ujl n ILE 24 Cb 0.08 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 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 1.53 3.92 2.38 7.39 0.00 -0.41 -5.08 105.19 114.91 1ujl n GLY 25 Ca -0.04 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1ujl n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ujl n LYS 26 N 0.00 1.58 -0.01 1.61 4.81 -1.21 -4.89 118.16 120.05 1ujl n LYS 26 Ca 0.00 -3.98 -0.02 0.00 -0.87 0.00 0.00 58.31 53.44 1ujl n LYS 26 Cb 0.00 -1.82 0.24 0.00 0.02 0.00 0.00 35.03 33.47 1ujl n LYS 26 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1ujl h PRO 27 N 4.35 0.55 -0.01 1.64 0.13 -1.98 -3.37 132.00 133.31 1ujl h PRO 27 Ca 0.15 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 64.95 1ujl h PRO 27 Cb 0.77 -0.06 -0.16 0.00 0.13 0.00 0.00 31.00 31.69 1ujl h PRO 27 CO 0.64 0.65 -0.29 2.48 -0.23 0.00 0.00 178.00 181.25 1ujl n TYR 28 N -4.21 -2.00 -2.93 1.56 4.11 -1.26 -5.08 117.16 107.35 1ujl n TYR 28 Ca 0.01 -1.73 -0.01 0.00 -0.00 0.00 0.00 57.90 56.17 1ujl n TYR 28 Cb 0.32 1.53 -0.01 0.00 -0.00 0.00 0.00 39.34 41.18 1ujl n TYR 28 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1ujl n ASN 29 N -1.52 -6.37 -2.90 9.48 5.15 -1.26 -4.98 115.26 112.86 1ujl n ASN 29 Ca -0.17 0.98 -0.13 0.00 -0.60 0.00 0.00 54.58 54.65 1ujl n ASN 29 Cb 0.88 -3.39 0.01 0.00 -0.53 0.00 0.00 39.78 36.75 1ujl n ASN 29 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ujl n SER 30 N 1.33 1.03 -1.31 1.20 2.88 -1.26 -5.12 113.62 112.38 1ujl n SER 30 Ca -0.06 -2.85 0.16 0.00 -1.33 0.00 0.00 58.87 54.79 1ujl n SER 30 Cb 0.28 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.17 1ujl n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujl n SER 31 N 0.09 -7.49 -2.87 -3.46 7.64 -1.26 -4.86 113.62 101.41 1ujl n SER 31 Ca 0.16 1.12 -0.12 0.00 1.01 0.00 0.00 58.87 61.03 1ujl n SER 31 Cb 0.75 -4.35 0.02 0.00 -1.01 0.00 0.00 64.21 59.61 1ujl n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujl n GLY 32 N -4.13 2.25 3.88 0.23 0.00 -1.26 -5.02 105.19 101.14 1ujl n GLY 32 Ca -0.06 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.82 2.65 -0.90 0.99 0.20 -1.26 -5.02 118.68 112.51 1ujl s LEU 33 Ca 0.31 0.99 -0.03 0.00 0.69 0.00 0.00 54.13 56.09 1ujl s LEU 33 Cb 0.41 -3.61 0.22 0.00 -0.43 0.00 0.00 46.19 42.78 1ujl s LEU 33 CO -0.02 -1.71 0.80 -0.83 -0.29 0.00 0.00 176.35 174.31 1ujl s GLY 34 N -4.39 3.05 0.00 7.98 0.00 -1.26 -4.77 107.32 107.92 1ujl s GLY 34 Ca 0.60 -3.79 0.00 0.00 0.00 0.00 0.00 44.72 41.54 1ujl s GLY 34 CO 0.51 1.21 0.00 0.61 0.00 0.00 0.00 173.10 175.43 1ujl n GLY 35 N 2.51 -1.83 0.27 0.20 0.00 -1.26 -5.04 105.19 100.03 1ujl n GLY 35 Ca 0.21 0.85 -0.03 0.00 0.00 0.00 0.00 46.02 47.05 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 0.81 -0.65 1.61 0.11 -1.99 -1.61 132.00 130.27 1ujl h PRO 36 Ca 0.00 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.13 1ujl h PRO 36 Cb 0.00 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 30.87 1ujl h PRO 36 CO 0.00 0.53 0.35 0.77 -0.21 0.00 0.00 178.00 179.44 1ujl h SER 37 N 0.83 0.50 0.66 -2.05 0.02 -1.98 -1.45 113.55 110.07 1ujl h SER 37 Ca 0.28 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1ujl h SER 37 Cb 0.03 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1ujl h SER 37 CO -0.11 0.32 -0.31 0.40 -1.14 0.00 0.00 176.83 175.98 1ujl h ILE 38 N 0.63 0.09 -1.11 3.27 5.03 -1.88 -0.31 117.51 123.24 1ujl h ILE 38 Ca 0.30 -0.34 0.32 0.00 -0.12 0.00 0.00 64.86 65.02 1ujl h ILE 38 Cb 0.22 0.12 -0.04 0.00 -3.03 0.00 0.00 36.82 34.08 1ujl h ILE 38 CO -0.20 0.01 0.86 0.50 -0.68 0.00 0.00 178.15 178.64 1ujl h LYS 39 N -1.19 0.00 0.00 2.37 3.64 -1.19 1.06 116.57 121.26 1ujl h LYS 39 Ca -0.09 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1ujl h LYS 39 Cb 0.70 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1ujl h LYS 39 CO 0.15 0.00 -1.21 -0.44 -2.27 0.00 0.00 179.45 175.68 1ujl h ASP 40 N 0.00 0.00 1.23 4.20 3.32 -1.12 -3.26 116.42 120.79 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 2.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.79 1ujl h ASP 40 CO -0.01 0.62 0.00 0.50 -1.72 0.00 0.00 179.24 178.63 1ujl h LYS 41 N 0.00 0.00 0.00 3.56 3.64 0.29 -3.51 116.57 120.56 1ujl h LYS 41 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ujl h LYS 41 Cb 1.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1ujl h LYS 41 CO 0.06 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.90