#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 5.08 -0.65 0.00 1.01 -1.26 -5.00 121.20 120.39 1ujl s ILE 2 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.28 1ujl s ILE 2 Cb 0.00 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1ujl s ILE 2 CO 0.00 0.49 2.71 0.61 0.00 0.00 0.00 174.94 178.76 1ujl n GLY 3 N 1.54 4.51 0.24 6.18 0.00 -1.26 -4.47 105.19 111.93 1ujl n GLY 3 Ca -0.13 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 43.98 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 1.15 0.25 -4.70 1.61 2.85 -1.26 -4.97 115.26 110.19 1ujl n ASN 4 Ca 0.52 0.04 -0.58 0.00 -0.11 0.00 0.00 54.58 54.45 1ujl n ASN 4 Cb 0.49 -0.42 -0.07 0.00 1.24 0.00 0.00 39.78 41.01 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 -2.75 1.00 -1.27 1.20 0.00 -1.26 -4.84 117.12 109.20 1ujl n MET 5 Ca -0.02 0.37 0.04 0.00 -0.00 0.00 0.00 57.70 58.09 1ujl n MET 5 Cb 0.06 -2.02 0.04 0.00 0.00 0.00 0.00 33.22 31.30 1ujl n MET 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1ujl n GLU 6 N 4.79 0.22 -3.12 2.12 1.02 -1.26 -5.10 120.64 119.32 1ujl n GLU 6 Ca 0.26 -2.08 -0.23 0.00 -0.02 0.00 0.00 57.16 55.09 1ujl n GLU 6 Cb 0.12 -0.28 0.01 0.00 -0.02 0.00 0.00 31.44 31.26 1ujl n GLU 6 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ujl s GLN 7 N -0.46 3.15 -1.32 3.49 1.11 -1.26 -4.99 119.66 119.38 1ujl s GLN 7 Ca 0.31 -0.52 -0.14 0.00 0.01 0.00 0.00 55.36 55.02 1ujl s GLN 7 Cb 0.35 -2.61 -0.03 0.00 -1.01 0.00 0.00 33.01 29.71 1ujl s GLN 7 CO -0.14 -0.15 2.31 -0.35 0.01 0.00 0.00 175.29 176.97 1ujl n PRO 8 N -1.97 2.70 -2.35 2.91 -0.04 -1.26 -4.84 135.00 130.15 1ujl n PRO 8 Ca 0.00 -2.29 -0.43 0.00 -0.04 0.00 0.00 63.50 60.75 1ujl n PRO 8 Cb 0.57 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 5.71 3.72 0.00 0.54 8.25 -1.26 -4.81 115.22 127.38 1ujl n HIS 9 Ca 0.56 -2.96 0.00 0.00 -0.26 0.00 0.00 57.72 55.06 1ujl n HIS 9 Cb 0.34 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.22 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 5.35 0.00 -2.80 -0.41 2.81 -1.26 -4.94 117.12 115.87 1ujl n MET 10 Ca 0.43 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 56.14 1ujl n MET 10 Cb 0.39 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.90 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 0.00 2.57 -4.61 7.83 2.03 -1.26 -5.07 116.55 118.04 1ujl n ASP 11 Ca 0.00 -3.19 -0.43 0.00 0.52 0.00 0.00 54.79 51.69 1ujl n ASP 11 Cb 0.00 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.83 1ujl n ASP 11 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ujl n SER 12 N -0.11 3.36 -0.14 1.67 2.88 -1.26 -4.81 113.62 115.21 1ujl n SER 12 Ca 0.24 0.27 0.10 0.00 -1.33 0.00 0.00 58.87 58.15 1ujl n SER 12 Cb 0.67 -1.55 -0.08 0.00 -0.75 0.00 0.00 64.21 62.49 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 8.63 0.71 -0.01 -1.46 1.74 -1.26 -5.08 116.66 119.93 1ujl n ARG 13 Ca 0.29 -0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ujl n ARG 13 Cb 0.44 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1ujl n ARG 13 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1ujl n ILE 14 N -1.04 0.00 0.00 0.55 3.06 -1.26 -4.96 119.36 115.70 1ujl n ILE 14 Ca 0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 1ujl n ILE 14 Cb 0.35 -0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.53 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 -0.03 1.60 0.28 4.50 0.00 -1.26 -5.02 105.19 105.27 1ujl n GLY 15 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.49 0.00 1.61 5.08 -2.00 1.18 115.95 122.31 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 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 26.06 1ujl h TRP 16 CO 0.00 0.02 -0.04 -0.07 -1.28 0.00 0.00 178.44 177.07 1ujl h LEU 17 N 0.40 0.00 -2.77 0.11 3.38 -2.01 -0.72 115.31 113.71 1ujl h LEU 17 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ujl h LEU 17 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ujl h LEU 17 CO -0.44 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.53 1ujl n HIS 18 N -3.23 1.45 0.02 1.13 8.25 0.40 -3.79 115.22 119.45 1ujl n HIS 18 Ca -0.01 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 1ujl n HIS 18 Cb 0.21 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 0.46 0.17 0.24 0.41 2.85 -0.32 -4.74 115.26 114.33 1ujl n ASN 19 Ca 0.19 0.07 0.11 0.00 -0.11 0.00 0.00 54.58 54.85 1ujl n ASN 19 Cb 0.90 -0.02 0.72 0.00 1.24 0.00 0.00 39.78 42.63 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 -1.02 1.20 8.10 -1.62 -1.39 115.31 120.58 1ujl h LEU 20 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 1ujl h LEU 20 Cb 0.49 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.69 1ujl h LEU 20 CO 0.00 0.00 0.03 1.23 -4.11 0.00 0.00 178.44 175.59 1ujl h GLY 21 N 0.00 0.79 1.45 0.17 0.00 -1.83 -2.29 103.07 101.35 1ujl h GLY 21 Ca 0.03 -0.49 -0.27 0.00 0.00 0.00 0.00 47.33 46.59 1ujl h GLY 21 CO -0.00 0.46 -1.18 -0.55 0.00 0.00 0.00 176.54 175.27 1ujl h ASP 22 N 0.69 0.64 -0.48 0.19 3.32 -1.56 -2.10 116.42 117.12 1ujl h ASP 22 Ca 0.14 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.61 1ujl h ASP 22 Cb 0.39 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1ujl h ASP 22 CO 0.01 1.43 0.28 1.56 -1.72 0.00 0.00 179.24 180.80 1ujl h GLN 23 N 0.19 0.54 0.26 3.56 1.08 -1.23 -3.25 115.11 116.25 1ujl h GLN 23 Ca -0.15 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1ujl h GLN 23 Cb 1.86 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 1ujl h GLN 23 CO 0.21 0.36 -0.12 0.82 -0.95 0.00 0.00 178.83 179.14 1ujl h ILE 24 N 0.55 0.00 -4.01 2.54 1.08 -1.50 -3.50 117.51 112.67 1ujl h ILE 24 Ca 0.19 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1ujl h ILE 24 Cb 0.03 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.77 1ujl h ILE 24 CO -0.10 0.00 -0.54 0.61 -0.69 0.00 0.00 178.15 177.43 1ujl n GLY 25 N 0.84 -3.67 2.80 5.37 0.00 -0.79 -5.03 105.19 104.72 1ujl n GLY 25 Ca -0.04 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.80 1.67 0.05 1.61 2.20 -1.26 -5.01 119.74 118.20 1ujl s LYS 26 Ca -0.03 -2.42 -0.19 0.00 -0.36 0.00 0.00 55.97 52.97 1ujl s LYS 26 Cb 0.00 -2.77 -0.09 0.00 -1.51 0.00 0.00 37.83 33.47 1ujl s LYS 26 CO 0.38 -1.18 1.29 -1.35 -0.36 0.00 0.00 175.35 174.14 1ujl h PRO 27 N 6.39 -0.49 0.00 4.03 0.11 -1.99 -3.45 132.00 136.59 1ujl h PRO 27 Ca 0.01 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1ujl h PRO 27 Cb 0.89 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ujl h PRO 27 CO 0.58 -0.33 0.00 2.48 -0.21 0.00 0.00 178.00 180.52 1ujl n TYR 28 N -3.99 0.00 -2.92 0.65 0.18 -1.26 -5.07 117.16 104.74 1ujl n TYR 28 Ca -0.06 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.72 1ujl n TYR 28 Cb 0.24 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.20 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 -7.19 -2.81 9.48 5.15 -1.26 -4.83 115.26 113.80 1ujl n ASN 29 Ca 0.00 0.99 -0.32 0.00 -0.60 0.00 0.00 54.58 54.65 1ujl n ASN 29 Cb 0.00 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 35.55 1ujl n ASN 29 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ujl n SER 30 N 1.03 6.99 -4.77 1.20 3.41 -1.26 -4.99 113.62 115.23 1ujl n SER 30 Ca -0.01 -3.33 -0.34 0.00 -0.26 0.00 0.00 58.87 54.92 1ujl n SER 30 Cb 0.23 -1.22 0.03 0.00 -0.26 0.00 0.00 64.21 62.98 1ujl n SER 30 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujl s SER 31 N 0.01 5.36 0.00 4.04 0.01 -1.26 -4.80 113.70 117.06 1ujl s SER 31 Ca 0.56 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.96 1ujl s SER 31 Cb 0.35 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1ujl s SER 31 CO -0.23 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.57 1ujl n GLY 32 N -0.04 0.19 3.45 3.44 0.00 -1.26 -5.15 105.19 105.82 1ujl n GLY 32 Ca 0.11 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1ujl n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujl n LEU 33 N 0.00 -0.60 -3.61 0.99 0.00 -1.26 -4.98 117.00 107.54 1ujl n LEU 33 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 56.01 55.77 1ujl n LEU 33 Cb 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 43.42 42.11 1ujl n LEU 33 CO 0.00 -3.09 -0.01 0.61 0.00 0.00 0.00 177.39 174.91 1ujl n GLY 34 N 1.22 4.26 2.93 -3.96 0.00 -1.26 -5.03 105.19 103.36 1ujl n GLY 34 Ca 0.05 -2.57 -0.13 0.00 0.00 0.00 0.00 46.02 43.36 1ujl n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ujl s GLY 35 N -1.88 0.16 0.01 -0.02 0.00 -1.26 -5.06 107.32 99.27 1ujl s GLY 35 Ca 0.33 -0.20 -0.20 0.00 0.00 0.00 0.00 44.72 44.65 1ujl s GLY 35 CO -0.09 -0.19 1.12 -0.56 0.00 0.00 0.00 173.10 173.38 1ujl h PRO 36 N 5.86 0.39 -0.63 2.90 0.13 -1.98 -2.22 132.00 136.45 1ujl h PRO 36 Ca -0.27 -0.39 0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1ujl h PRO 36 Cb 1.20 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1ujl h PRO 36 CO 0.49 1.05 0.33 0.77 -0.23 0.00 0.00 178.00 180.41 1ujl h SER 37 N -0.11 0.46 0.52 1.44 0.02 -1.98 -0.94 113.55 112.96 1ujl h SER 37 Ca -0.06 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1ujl h SER 37 Cb 1.21 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1ujl h SER 37 CO 0.10 0.29 -0.25 0.40 -1.14 0.00 0.00 176.83 176.23 1ujl h ILE 38 N 0.60 0.12 -1.07 3.27 5.03 -1.98 -0.09 117.51 123.38 1ujl h ILE 38 Ca 0.29 -0.49 0.31 0.00 -0.12 0.00 0.00 64.86 64.85 1ujl h ILE 38 Cb 0.22 0.18 -0.04 0.00 -3.03 0.00 0.00 36.82 34.14 1ujl h ILE 38 CO -0.20 0.02 0.88 0.50 -0.68 0.00 0.00 178.15 178.67 1ujl h LYS 39 N -1.14 0.00 0.00 2.37 1.63 -1.30 1.18 116.57 119.31 1ujl h LYS 39 Ca -0.07 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.61 1ujl h LYS 39 Cb 0.58 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1ujl h LYS 39 CO 0.12 0.00 -1.33 -0.25 -3.45 0.00 0.00 179.45 174.54 1ujl n ASP 40 N -3.92 0.83 0.27 4.20 9.92 -0.37 -3.78 116.55 123.70 1ujl n ASP 40 Ca 0.23 0.35 0.16 0.00 -0.53 0.00 0.00 54.79 55.00 1ujl n ASP 40 Cb 1.23 0.29 0.59 0.00 -0.64 0.00 0.00 41.12 42.59 1ujl n ASP 40 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ujl h LYS 41 N 0.00 0.00 0.00 -1.24 3.11 0.34 -3.51 116.57 115.27 1ujl h LYS 41 Ca -0.12 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1ujl h LYS 41 Cb 1.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.65 1ujl h LYS 41 CO 0.03 0.01 0.00 0.66 -2.81 0.00 0.00 179.45 177.34