#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg n ASP 2 N 0.00 -7.82 0.00 4.31 8.00 -1.26 -5.06 116.55 114.72 1agg n ASP 2 Ca 0.00 1.42 0.00 0.00 0.71 0.00 0.00 54.79 56.92 1agg n ASP 2 Cb 0.00 -5.27 0.00 0.00 -0.02 0.00 0.00 41.12 35.83 1agg n ASP 2 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1agg n ASN 3 N 0.75 0.00 -4.47 -2.24 2.85 -1.26 -5.10 115.26 105.79 1agg n ASN 3 Ca -0.01 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.19 1agg n ASN 3 Cb 0.03 -0.12 -0.09 0.00 1.24 0.00 0.00 39.78 40.83 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1agg s ILE 5 N -3.06 4.11 -1.19 0.00 1.01 -0.91 -4.87 121.20 116.30 1agg s ILE 5 Ca 0.25 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1agg s ILE 5 Cb 0.06 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1agg s ILE 5 CO 0.13 -0.78 0.53 0.00 0.00 0.00 0.00 174.94 174.82 1agg n ALA 6 N 4.75 2.36 -2.99 9.38 0.00 -1.26 -0.64 120.51 132.09 1agg n ALA 6 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 1agg n ALA 6 Cb 0.41 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.70 1agg n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1agg s GLU 7 N -1.19 1.23 -0.11 0.00 2.02 -1.26 -4.94 118.70 114.45 1agg s GLU 7 Ca 0.00 -0.40 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 1agg s GLU 7 Cb 0.00 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 33.10 1agg s GLU 7 CO 0.00 0.16 0.95 0.16 0.02 0.00 0.00 175.26 176.54 1agg s ASP 8 N 0.15 7.18 -1.27 -0.19 -4.77 -1.26 -2.95 116.67 113.56 1agg s ASP 8 Ca -0.03 1.44 -0.06 0.00 -3.30 0.00 0.00 52.55 50.60 1agg s ASP 8 Cb -0.10 -2.53 0.01 0.00 -1.09 0.00 0.00 42.92 39.21 1agg s ASP 8 CO 0.01 -0.40 1.10 -1.22 0.70 0.00 0.00 175.17 175.36 1agg n TYR 9 N 4.88 -2.59 -0.68 2.11 4.01 -0.78 -4.94 117.16 119.17 1agg n TYR 9 Ca 0.07 0.97 0.00 0.00 -0.16 0.00 0.00 57.90 58.78 1agg n TYR 9 Cb 0.49 -4.97 0.00 0.00 -0.31 0.00 0.00 39.34 34.55 1agg n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1agg n GLY 10 N -1.70 -1.23 3.73 2.72 0.00 -1.15 -4.66 105.19 102.90 1agg n GLY 10 Ca -0.09 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 1agg n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1agg s LYS 11 N -2.20 4.26 0.36 1.61 -2.85 -1.26 -2.87 119.74 116.80 1agg s LYS 11 Ca 0.00 0.25 0.06 0.00 -1.00 0.00 0.00 55.97 55.28 1agg s LYS 11 Cb 0.00 -3.42 -0.02 0.00 -2.06 0.00 0.00 37.83 32.33 1agg s LYS 11 CO 0.00 0.24 0.21 0.00 0.10 0.00 0.00 175.35 175.90 1agg s THR 13 N -3.19 0.07 -0.68 0.00 -4.23 -1.20 -3.67 115.64 102.74 1agg s THR 13 Ca 0.30 -0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 59.98 1agg s THR 13 Cb 0.01 -0.45 0.06 0.00 1.34 0.00 0.00 72.50 73.46 1agg s THR 13 CO 0.21 -0.32 1.03 0.26 -0.54 0.00 0.00 174.62 175.26 1agg s TRP 14 N -1.25 2.59 0.00 3.99 0.52 -1.26 -2.65 118.94 120.88 1agg s TRP 14 Ca -0.13 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 55.54 1agg s TRP 14 Cb -0.07 -4.37 0.00 0.00 -1.15 0.00 0.00 33.47 27.89 1agg s TRP 14 CO 0.02 -1.74 0.00 0.41 0.02 0.00 0.00 176.95 175.66 1agg n GLY 15 N 5.34 0.39 0.00 0.98 0.00 -1.26 -5.10 105.19 105.54 1agg n GLY 15 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1agg n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1agg n GLY 16 N -0.51 2.40 3.86 -0.02 0.00 -1.08 -5.15 105.19 104.69 1agg n GLY 16 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1agg n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1agg s THR 17 N -1.76 4.89 0.47 2.61 2.01 -1.26 -4.86 115.64 117.74 1agg s THR 17 Ca 0.00 0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.69 1agg s THR 17 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1agg s THR 17 CO 0.00 0.06 0.10 -0.54 -0.69 0.00 0.00 174.62 173.55 1agg s LYS 18 N -2.45 2.15 0.36 4.92 -0.14 -1.26 -3.27 119.74 120.05 1agg s LYS 18 Ca 0.43 -2.15 -0.26 0.00 -1.36 0.00 0.00 55.97 52.63 1agg s LYS 18 Cb -0.13 -1.74 -0.09 0.00 -1.68 0.00 0.00 37.83 34.20 1agg s LYS 18 CO 0.20 -0.26 1.11 0.00 -0.76 0.00 0.00 175.35 175.64 1agg n ARG 21 N -5.35 1.90 -2.38 0.00 0.63 -1.26 -4.85 116.66 105.35 1agg n ARG 21 Ca 0.03 -1.86 -0.07 0.00 -0.92 0.00 0.00 57.85 55.02 1agg n ARG 21 Cb 0.26 -1.73 0.03 0.00 0.45 0.00 0.00 32.46 31.47 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1agg n GLY 22 N -0.10 -0.18 2.93 5.14 0.00 -1.04 -5.07 105.19 106.88 1agg n GLY 22 Ca 0.36 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 1agg n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1agg s ARG 23 N -3.67 1.69 0.97 1.61 1.81 -1.12 -5.04 118.95 115.20 1agg s ARG 23 Ca 0.22 -0.65 -0.11 0.00 -1.72 0.00 0.00 55.73 53.47 1agg s ARG 23 Cb -0.03 -2.18 0.16 0.00 -0.45 0.00 0.00 34.95 32.45 1agg s ARG 23 CO 0.38 -0.43 1.06 -2.30 -0.68 0.00 0.00 175.30 173.32 1agg n PRO 24 N 4.79 -0.80 -4.22 3.54 -0.02 -1.26 -2.07 135.00 134.96 1agg n PRO 24 Ca -0.13 -0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 60.88 1agg n PRO 24 Cb 0.47 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1agg n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1agg s ARG 26 N -2.27 0.10 0.95 0.00 3.52 -0.26 -4.91 118.95 116.09 1agg s ARG 26 Ca 0.22 0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 56.19 1agg s ARG 26 Cb -0.11 -0.18 0.16 0.00 -1.56 0.00 0.00 34.95 33.26 1agg s ARG 26 CO 0.14 -0.23 1.15 0.00 -0.81 0.00 0.00 175.30 175.55 1agg n SER 28 N -3.91 -1.75 -0.06 0.00 2.88 -1.25 -4.66 113.62 104.87 1agg n SER 28 Ca 0.08 -0.21 -0.15 0.00 -1.33 0.00 0.00 58.87 57.25 1agg n SER 28 Cb 0.59 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1agg n SER 28 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1agg h MET 29 N 0.00 0.85 -0.06 -1.46 0.00 -1.92 -3.25 114.93 109.09 1agg h MET 29 Ca -0.02 -0.58 -0.22 0.00 0.00 0.00 0.00 59.70 58.88 1agg h MET 29 Cb 0.07 0.08 0.00 0.00 0.00 0.00 0.00 31.60 31.76 1agg h MET 29 CO 0.01 1.21 -0.86 0.97 0.00 0.00 0.00 176.91 178.24 1agg h ILE 30 N 0.63 1.35 0.00 -1.22 6.09 -1.99 -3.49 117.51 118.89 1agg h ILE 30 Ca -0.00 -2.23 0.00 0.00 -1.37 0.00 0.00 64.86 61.26 1agg h ILE 30 Cb 1.23 2.23 0.00 0.00 0.47 0.00 0.00 36.82 40.74 1agg h ILE 30 CO 0.13 0.68 0.00 0.61 -3.07 0.00 0.00 178.15 176.50 1agg n GLY 31 N 0.79 3.74 3.92 8.18 0.00 -1.23 -5.12 105.19 115.48 1agg n GLY 31 Ca -0.07 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1agg n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1agg s THR 32 N 0.00 2.01 -1.13 2.61 -4.23 -1.26 -4.61 115.64 109.03 1agg s THR 32 Ca 0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.40 1agg s THR 32 Cb 0.00 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1agg s THR 32 CO 0.00 0.00 0.86 -0.46 -0.54 0.00 0.00 174.62 174.48 1agg n ASN 33 N -3.56 -4.88 -4.74 3.99 6.94 -1.26 -4.11 115.26 107.65 1agg n ASN 33 Ca 0.12 -0.80 -0.32 0.00 -0.02 0.00 0.00 54.58 53.57 1agg n ASN 33 Cb 0.60 -4.53 0.11 0.00 -2.36 0.00 0.00 39.78 33.60 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1agg s GLU 35 N -4.54 1.95 0.47 0.00 2.02 -1.04 -1.31 118.70 116.24 1agg s GLU 35 Ca 0.66 -2.19 -0.05 0.00 0.02 0.00 0.00 54.97 53.41 1agg s GLU 35 Cb -0.21 -0.51 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1agg s GLU 35 CO 0.52 -0.52 0.76 0.00 0.02 0.00 0.00 175.26 176.04 1agg s THR 37 N -2.70 -0.02 -1.00 0.00 -1.32 -1.06 -1.87 115.64 107.68 1agg s THR 37 Ca 0.47 0.06 -0.19 0.00 -1.21 0.00 0.00 61.69 60.81 1agg s THR 37 Cb -0.10 -0.25 0.12 0.00 -1.51 0.00 0.00 72.50 70.75 1agg s THR 37 CO 0.44 0.02 1.26 -2.16 -2.21 0.00 0.00 174.62 171.97 1agg s PRO 38 N 0.47 3.67 -0.21 7.08 0.04 -1.17 -4.39 135.00 140.50 1agg s PRO 38 Ca -0.03 -1.72 -0.20 0.00 0.04 0.00 0.00 61.00 59.09 1agg s PRO 38 Cb -0.05 -5.06 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 1agg s PRO 38 CO -0.02 -1.89 0.58 1.03 0.04 0.00 0.00 177.00 176.74 1agg s ARG 39 N 3.13 4.19 -0.05 4.56 0.52 -1.23 -4.89 118.95 125.17 1agg s ARG 39 Ca 0.38 0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 55.92 1agg s ARG 39 Cb -0.03 -3.58 -0.13 0.00 0.52 0.00 0.00 34.95 31.73 1agg s ARG 39 CO -0.08 -0.23 0.75 -0.07 0.02 0.00 0.00 175.30 175.70 1agg h LEU 40 N 8.19 -0.27 -8.65 2.53 3.38 -1.95 -3.38 115.31 115.16 1agg h LEU 40 Ca -0.32 -0.22 -0.64 0.00 0.09 0.00 0.00 57.88 56.80 1agg h LEU 40 Cb 1.15 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 1agg h LEU 40 CO 0.76 0.25 0.25 -0.63 0.09 0.00 0.00 178.44 179.15 1agg s ILE 41 N -3.30 4.75 0.18 1.22 -1.09 -1.26 -4.99 121.20 116.71 1agg s ILE 41 Ca -0.11 0.38 -0.10 0.00 -2.23 0.00 0.00 60.65 58.60 1agg s ILE 41 Cb 0.01 -4.24 0.09 0.00 -1.58 0.00 0.00 42.46 36.74 1agg s ILE 41 CO 0.38 -0.60 1.71 -0.03 -1.23 0.00 0.00 174.94 175.17 1agg h MET 42 N 8.83 1.02 -6.63 2.79 4.05 -1.98 -3.43 114.93 119.59 1agg h MET 42 Ca -0.25 -0.23 -0.52 0.00 -0.28 0.00 0.00 59.70 58.42 1agg h MET 42 Cb 1.09 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 31.76 1agg h MET 42 CO 0.92 0.90 0.55 -1.83 0.23 0.00 0.00 176.91 177.68 1agg s GLU 43 N -5.38 4.49 0.00 0.39 -1.05 -1.26 -4.86 118.70 111.03 1agg s GLU 43 Ca -0.12 1.84 0.00 0.00 -0.15 0.00 0.00 54.97 56.54 1agg s GLU 43 Cb 0.14 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 1agg s GLU 43 CO 0.82 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 177.34 1agg n GLY 44 N 2.38 -0.69 1.84 -3.83 0.00 -1.26 -5.07 105.19 98.56 1agg n GLY 44 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1agg n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1agg n LEU 45 N 0.00 0.00 -4.27 0.99 7.94 -1.26 -5.00 117.00 115.40 1agg n LEU 45 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1agg n LEU 45 Cb 0.00 0.18 -0.04 0.00 0.53 0.00 0.00 43.42 44.09 1agg n LEU 45 CO 0.00 -0.46 0.30 -0.44 -1.11 0.00 0.00 177.39 175.68 1agg s SER 46 N -2.50 6.33 -0.03 1.96 0.01 -1.26 -5.03 113.70 113.18 1agg s SER 46 Ca 0.00 -2.63 -0.01 0.00 1.31 0.00 0.00 55.95 54.62 1agg s SER 46 Cb 0.00 -2.12 0.03 0.00 0.21 0.00 0.00 66.02 64.14 1agg s SER 46 CO 0.00 -0.55 0.04 0.12 0.41 0.00 0.00 173.24 173.26 1agg s PHE 47 N 0.27 0.06 -2.35 2.43 2.19 -1.26 -5.27 117.98 114.05 1agg s PHE 47 Ca 0.16 0.18 0.29 0.00 0.33 0.00 0.00 56.93 57.89 1agg s PHE 47 Cb -0.15 -0.35 1.32 0.00 -1.31 0.00 0.00 43.02 42.53 1agg s PHE 47 CO -0.06 -0.14 1.89 0.00 1.83 0.00 0.00 175.22 178.74