#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 2.78 0.00 0.00 1.01 -1.26 -4.72 121.20 119.01 1ujl s ILE 2 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.00 1ujl s ILE 2 Cb 0.00 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1ujl s ILE 2 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1ujl n GLY 3 N 0.55 1.01 0.69 6.18 0.00 -1.26 -4.95 105.19 107.41 1ujl n GLY 3 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.15 -3.88 1.61 5.15 -1.26 -5.14 115.26 111.59 1ujl n ASN 4 Ca 0.00 -1.47 -0.24 0.00 -0.60 0.00 0.00 54.58 52.26 1ujl n ASN 4 Cb 0.00 0.01 0.13 0.00 -0.53 0.00 0.00 39.78 39.39 1ujl n ASN 4 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 1ujl n MET 5 N 0.04 -1.66 -1.50 1.20 0.00 -1.26 -4.53 117.12 109.40 1ujl n MET 5 Ca -0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 57.70 57.02 1ujl n MET 5 Cb 0.63 -1.46 -0.11 0.00 0.00 0.00 0.00 33.22 32.28 1ujl n MET 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ujl n GLU 6 N -1.13 0.30 -4.71 3.17 2.13 -1.26 -4.85 120.64 114.29 1ujl n GLU 6 Ca 0.03 -0.78 -0.31 0.00 0.66 0.00 0.00 57.16 56.75 1ujl n GLU 6 Cb 0.48 -2.96 -0.08 0.00 0.27 0.00 0.00 31.44 29.15 1ujl n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1ujl s GLN 7 N 8.11 2.14 -1.46 5.31 -0.21 -1.26 -5.04 119.66 127.24 1ujl s GLN 7 Ca 0.91 -2.35 -0.12 0.00 0.02 0.00 0.00 55.36 53.81 1ujl s GLN 7 Cb -0.25 -1.33 0.04 0.00 1.00 0.00 0.00 33.01 32.46 1ujl s GLN 7 CO 0.20 -0.38 2.31 -0.35 -2.12 0.00 0.00 175.29 174.95 1ujl n PRO 8 N -1.19 3.16 -0.05 2.91 -0.04 -1.26 -4.51 135.00 134.03 1ujl n PRO 8 Ca -0.16 -2.69 -0.05 0.00 -0.04 0.00 0.00 63.50 60.55 1ujl n PRO 8 Cb 0.67 -3.13 -0.02 0.00 -0.04 0.00 0.00 33.50 30.97 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 5.21 0.00 -3.40 0.54 8.25 -1.26 -5.02 115.22 119.54 1ujl n HIS 9 Ca 0.55 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.80 1ujl n HIS 9 Cb 0.35 -0.31 0.07 0.00 1.12 0.00 0.00 29.99 31.22 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 -3.84 -6.76 -0.93 -0.41 2.81 -1.26 -4.91 117.12 101.82 1ujl n MET 10 Ca -0.09 0.77 -0.06 0.00 -1.81 0.00 0.00 57.70 56.51 1ujl n MET 10 Cb 0.32 -5.58 0.18 0.00 -0.71 0.00 0.00 33.22 27.43 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 -2.53 2.81 -3.61 7.83 8.00 -1.26 -5.01 116.55 122.78 1ujl n ASP 11 Ca -0.01 -3.81 -0.02 0.00 0.71 0.00 0.00 54.79 51.65 1ujl n ASP 11 Cb 0.57 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1ujl n ASP 11 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ujl s SER 12 N -2.72 -0.08 -0.34 -2.24 0.15 -1.26 -5.08 113.70 102.13 1ujl s SER 12 Ca 0.45 -0.02 0.08 0.00 0.70 0.00 0.00 55.95 57.16 1ujl s SER 12 Cb 0.41 0.10 0.32 0.00 -1.71 0.00 0.00 66.02 65.14 1ujl s SER 12 CO -0.01 -0.16 1.31 -1.14 1.20 0.00 0.00 173.24 174.44 1ujl n ARG 13 N -0.17 1.02 -0.93 5.44 0.00 -1.26 -5.15 116.66 115.61 1ujl n ARG 13 Ca -0.01 -1.34 -0.31 0.00 -0.00 0.00 0.00 57.85 56.19 1ujl n ARG 13 Cb 0.59 0.11 0.14 0.00 0.00 0.00 0.00 32.46 33.30 1ujl n ARG 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1ujl s ILE 14 N 0.14 2.44 0.00 5.15 2.07 -1.26 -4.66 121.20 125.07 1ujl s ILE 14 Ca 0.14 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1ujl s ILE 14 Cb 0.34 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.58 1ujl s ILE 14 CO -0.08 -0.18 0.00 0.61 -1.91 0.00 0.00 174.94 173.38 1ujl n GLY 15 N -0.17 0.38 0.28 1.50 0.00 -1.26 -5.02 105.19 100.90 1ujl n GLY 15 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 0.41 0.00 1.61 5.08 -2.01 1.23 115.95 122.27 1ujl h TRP 16 Ca 0.00 0.04 -0.01 0.00 1.08 0.00 0.00 58.89 60.00 1ujl h TRP 16 Cb 0.00 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 26.09 1ujl h TRP 16 CO 0.00 -0.02 -0.03 -0.07 -1.28 0.00 0.00 178.44 177.04 1ujl h LEU 17 N 0.35 0.00 -2.91 0.11 3.38 -2.00 -0.53 115.31 113.71 1ujl h LEU 17 Ca 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1ujl h LEU 17 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1ujl h LEU 17 CO -0.47 0.03 0.04 1.41 0.09 0.00 0.00 178.44 179.54 1ujl n HIS 18 N -3.22 1.58 0.00 1.13 8.25 0.42 -3.77 115.22 119.61 1ujl n HIS 18 Ca -0.01 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 1ujl n HIS 18 Cb 0.20 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.88 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 0.36 0.13 0.14 0.41 2.85 -0.25 -4.77 115.26 114.13 1ujl n ASN 19 Ca 0.22 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.74 1ujl n ASN 19 Cb 0.98 0.00 0.48 0.00 1.24 0.00 0.00 39.78 42.48 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 0.21 -1.57 1.20 8.10 -1.62 -1.95 115.31 119.69 1ujl h LEU 20 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1ujl h LEU 20 Cb 0.60 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 1ujl h LEU 20 CO 0.00 0.25 0.26 1.23 -4.11 0.00 0.00 178.44 176.06 1ujl h GLY 21 N 0.46 0.58 1.37 0.17 0.00 -1.83 -2.10 103.07 101.71 1ujl h GLY 21 Ca 0.06 -0.23 -0.29 0.00 0.00 0.00 0.00 47.33 46.88 1ujl h GLY 21 CO 0.00 0.22 -1.44 -0.55 0.00 0.00 0.00 176.54 174.77 1ujl h ASP 22 N 0.56 0.29 -0.82 0.19 5.19 -1.68 -3.28 116.42 116.87 1ujl h ASP 22 Ca 0.15 -0.39 0.02 0.00 -0.62 0.00 0.00 57.03 56.19 1ujl h ASP 22 Cb -0.04 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 1ujl h ASP 22 CO -0.03 1.33 0.54 1.56 -3.12 0.00 0.00 179.24 179.52 1ujl h GLN 23 N 0.05 1.03 0.57 3.56 1.08 -0.92 -3.11 115.11 117.36 1ujl h GLN 23 Ca -0.20 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 56.91 1ujl h GLN 23 Cb 1.97 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 29.18 1ujl h GLN 23 CO 0.15 0.68 -0.28 0.82 -0.95 0.00 0.00 178.83 179.26 1ujl h ILE 24 N 1.06 0.00 0.00 2.54 2.04 -1.50 -3.48 117.51 118.17 1ujl h ILE 24 Ca 0.31 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1ujl h ILE 24 Cb -0.04 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1ujl h ILE 24 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.68 1ujl n GLY 25 N -0.63 0.85 3.15 5.37 0.00 -1.18 -5.09 105.19 107.66 1ujl n GLY 25 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1ujl n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ujl s LYS 26 N 0.00 2.39 0.05 1.61 2.20 -1.26 -4.84 119.74 119.90 1ujl s LYS 26 Ca 0.00 -2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 53.39 1ujl s LYS 26 Cb 0.00 -3.78 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 1ujl s LYS 26 CO 0.00 -1.15 1.30 -1.35 -0.36 0.00 0.00 175.35 173.78 1ujl h PRO 27 N 7.88 -0.41 0.00 4.03 0.11 -1.98 -3.45 132.00 138.19 1ujl h PRO 27 Ca -0.11 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ujl h PRO 27 Cb 1.03 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ujl h PRO 27 CO 0.76 -0.27 0.00 2.48 -0.21 0.00 0.00 178.00 180.76 1ujl n TYR 28 N -4.05 0.00 -2.82 0.65 0.18 -1.26 -5.07 117.16 104.78 1ujl n TYR 28 Ca -0.05 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.70 1ujl n TYR 28 Cb 0.22 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.16 1ujl n TYR 28 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1ujl n ASN 29 N 0.00 -3.68 0.00 9.48 4.05 -1.26 -5.05 115.26 118.79 1ujl n ASN 29 Ca 0.00 1.17 0.00 0.00 0.45 0.00 0.00 54.58 56.20 1ujl n ASN 29 Cb 0.00 -3.64 0.00 0.00 1.23 0.00 0.00 39.78 37.37 1ujl n ASN 29 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1ujl n SER 30 N 2.04 0.00 0.15 1.20 7.64 -1.26 -5.12 113.62 118.27 1ujl n SER 30 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1ujl n SER 30 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1ujl n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ujl n SER 31 N 0.00 -2.36 -2.01 6.43 7.64 -1.26 -4.93 113.62 117.13 1ujl n SER 31 Ca 0.00 0.56 -0.20 0.00 1.01 0.00 0.00 58.87 60.24 1ujl n SER 31 Cb 0.00 2.35 0.14 0.00 -1.01 0.00 0.00 64.21 65.69 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 -0.91 4.13 3.91 0.23 0.00 -1.26 -4.94 105.19 106.35 1ujl n GLY 32 Ca 0.00 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.69 4.22 0.00 0.99 2.96 -1.26 -5.10 118.68 117.80 1ujl s LEU 33 Ca 0.46 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1ujl s LEU 33 Cb 0.39 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1ujl s LEU 33 CO 0.08 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 1ujl n GLY 34 N -0.32 -0.56 0.00 7.98 0.00 -1.26 -5.08 105.19 105.95 1ujl n GLY 34 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.72 3.96 0.40 -0.02 0.00 -1.26 -4.92 105.19 105.07 1ujl n GLY 35 Ca 0.00 -1.04 0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 0.40 -0.53 1.61 0.11 -1.99 -0.81 132.00 130.80 1ujl h PRO 36 Ca 0.00 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.12 1ujl h PRO 36 Cb 0.00 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 30.98 1ujl h PRO 36 CO 0.00 0.27 0.31 0.77 -0.21 0.00 0.00 178.00 179.13 1ujl h SER 37 N 0.42 0.48 0.46 -2.05 0.02 -1.98 -0.64 113.55 110.26 1ujl h SER 37 Ca 0.46 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.40 1ujl h SER 37 Cb 1.11 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1ujl h SER 37 CO -0.17 0.34 -0.22 0.40 -1.14 0.00 0.00 176.83 176.04 1ujl h ILE 38 N 0.60 0.00 -1.18 3.27 2.04 -1.53 -0.14 117.51 120.58 1ujl h ILE 38 Ca 0.22 -0.48 0.34 0.00 1.00 0.00 0.00 64.86 65.94 1ujl h ILE 38 Cb 0.06 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.09 1ujl h ILE 38 CO -0.12 0.00 0.89 0.50 0.00 0.00 0.00 178.15 179.42 1ujl h LYS 39 N -1.10 0.00 0.00 2.37 3.64 -1.38 1.07 116.57 121.17 1ujl h LYS 39 Ca -0.06 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 1ujl h LYS 39 Cb 0.47 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1ujl h LYS 39 CO 0.10 0.00 -1.27 -0.44 -2.27 0.00 0.00 179.45 175.57 1ujl h ASP 40 N 0.00 0.00 1.16 4.20 5.19 -1.09 -3.28 116.42 122.60 1ujl h ASP 40 Ca 0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 1ujl h ASP 40 Cb 2.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.84 1ujl h ASP 40 CO -0.01 0.59 0.00 0.50 -3.12 0.00 0.00 179.24 177.20 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 -0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1ujl h LYS 41 Cb 1.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1ujl h LYS 41 CO 0.05 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.71