#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 0.00 -3.01 4.31 -0.08 -1.26 -4.90 116.55 111.61 1agg n ASP 2 Ca 0.00 0.18 -0.13 0.00 -1.51 0.00 0.00 54.79 53.33 1agg n ASP 2 Cb 0.00 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 43.09 1agg n ASP 2 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1agg s ASN 3 N -2.65 -0.33 0.35 1.67 2.47 -1.26 -5.12 114.94 110.08 1agg s ASN 3 Ca 0.00 -2.26 -0.15 0.00 0.42 0.00 0.00 52.86 50.87 1agg s ASN 3 Cb 0.00 0.98 0.04 0.00 -1.45 0.00 0.00 41.25 40.82 1agg s ASN 3 CO 0.00 -0.10 0.72 0.00 -3.72 0.00 0.00 177.10 174.00 1agg s ILE 5 N -2.77 3.71 -1.19 0.00 1.01 -0.99 -4.86 121.20 116.10 1agg s ILE 5 Ca 0.17 -2.28 0.00 0.00 0.00 0.00 0.00 60.65 58.54 1agg s ILE 5 Cb -0.04 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1agg s ILE 5 CO 0.12 -0.78 0.52 0.00 0.00 0.00 0.00 174.94 174.80 1agg n ALA 6 N 4.31 2.32 -2.65 9.38 0.00 -1.26 -0.64 120.51 131.98 1agg n ALA 6 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1agg n ALA 6 Cb 0.40 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 2.37 0.00 0.00 0.41 -1.26 -4.93 118.70 114.11 1agg s GLU 7 Ca 0.00 -0.97 0.24 0.00 -0.41 0.00 0.00 54.97 53.84 1agg s GLU 7 Cb 0.00 -2.42 0.36 0.00 -1.78 0.00 0.00 34.13 30.29 1agg s GLU 7 CO 0.00 0.51 1.31 -0.40 -0.49 0.00 0.00 175.26 176.19 1agg n ASP 8 N 0.44 1.38 -2.72 -0.19 5.75 -1.26 -4.20 116.55 115.73 1agg n ASP 8 Ca -0.11 -1.10 -0.05 0.00 -0.01 0.00 0.00 54.79 53.52 1agg n ASP 8 Cb 0.53 0.35 0.07 0.00 -1.03 0.00 0.00 41.12 41.04 1agg n ASP 8 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1agg n TYR 9 N -0.54 0.01 -1.62 2.11 4.01 -1.24 -2.93 117.16 116.96 1agg n TYR 9 Ca 0.10 -2.27 -0.29 0.00 -0.16 0.00 0.00 57.90 55.28 1agg n TYR 9 Cb 0.39 0.34 0.17 0.00 -0.31 0.00 0.00 39.34 39.93 1agg n TYR 9 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1agg s GLY 10 N -2.66 1.65 -0.15 2.72 0.00 -1.26 -4.72 107.32 102.90 1agg s GLY 10 Ca 0.23 -0.85 -0.16 0.00 0.00 0.00 0.00 44.72 43.94 1agg s GLY 10 CO -0.03 -0.16 0.40 0.54 0.00 0.00 0.00 173.10 173.85 1agg s LYS 11 N -5.54 4.29 0.30 2.90 -0.14 -1.26 -1.69 119.74 118.59 1agg s LYS 11 Ca 0.68 0.29 0.05 0.00 -1.36 0.00 0.00 55.97 55.63 1agg s LYS 11 Cb -0.10 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 1agg s LYS 11 CO 0.53 0.15 0.23 0.00 -0.76 0.00 0.00 175.35 175.50 1agg s THR 13 N -3.62 0.11 -0.60 0.00 -4.23 -1.19 -2.45 115.64 103.65 1agg s THR 13 Ca 0.39 -0.88 -0.27 0.00 -1.18 0.00 0.00 61.69 59.76 1agg s THR 13 Cb 0.04 -0.92 0.03 0.00 1.34 0.00 0.00 72.50 72.99 1agg s THR 13 CO 0.22 -0.48 1.15 0.26 -0.54 0.00 0.00 174.62 175.23 1agg s TRP 14 N -2.60 2.59 0.00 3.99 0.51 -1.26 -2.83 118.94 119.35 1agg s TRP 14 Ca -0.05 0.20 0.00 0.00 -2.12 0.00 0.00 56.10 54.14 1agg s TRP 14 Cb -0.01 -4.43 0.00 0.00 -0.81 0.00 0.00 33.47 28.22 1agg s TRP 14 CO -0.04 -1.63 0.00 0.41 -0.51 0.00 0.00 176.95 175.18 1agg n GLY 15 N 5.14 3.42 0.00 0.98 0.00 -1.26 -5.08 105.19 108.39 1agg n GLY 15 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 -2.30 3.78 -0.02 0.00 -1.13 -5.02 105.19 100.50 1agg n GLY 16 Ca 0.00 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 3.39 0.52 2.61 2.01 -1.26 -4.77 115.64 118.15 1agg s THR 17 Ca 0.00 1.06 0.03 0.00 0.31 0.00 0.00 61.69 63.09 1agg s THR 17 Cb 0.00 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1agg s THR 17 CO 0.00 -0.00 0.20 -0.54 -0.69 0.00 0.00 174.62 173.58 1agg s LYS 18 N -2.60 2.22 0.24 4.92 1.02 -1.26 -3.18 119.74 121.11 1agg s LYS 18 Ca 0.61 -2.20 -0.26 0.00 0.02 0.00 0.00 55.97 54.13 1agg s LYS 18 Cb -0.26 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1agg s LYS 18 CO 0.31 -0.47 0.87 0.00 -0.92 0.00 0.00 175.35 175.14 1agg n ARG 21 N -5.43 1.91 -2.13 0.00 5.12 -1.26 -4.83 116.66 110.04 1agg n ARG 21 Ca 0.03 -1.94 -0.03 0.00 -1.93 0.00 0.00 57.85 53.98 1agg n ARG 21 Cb 0.35 -1.76 0.02 0.00 -1.16 0.00 0.00 32.46 29.91 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1agg n GLY 22 N -0.24 -0.17 3.09 -0.13 0.00 -1.08 -5.09 105.19 101.57 1agg n GLY 22 Ca 0.38 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 1agg n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1agg s ARG 23 N -3.32 2.49 0.77 1.61 3.52 -1.07 -5.03 118.95 117.93 1agg s ARG 23 Ca 0.11 -0.65 -0.12 0.00 -0.13 0.00 0.00 55.73 54.94 1agg s ARG 23 Cb -0.01 -2.10 0.05 0.00 -1.56 0.00 0.00 34.95 31.33 1agg s ARG 23 CO 0.28 -0.08 1.10 -1.25 -0.81 0.00 0.00 175.30 174.54 1agg s PRO 24 N 1.03 2.29 0.08 5.12 0.04 -1.26 -2.64 135.00 139.65 1agg s PRO 24 Ca -0.04 0.55 0.08 0.00 0.04 0.00 0.00 61.00 61.62 1agg s PRO 24 Cb -0.15 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1agg s PRO 24 CO -0.04 -1.45 -0.18 0.00 0.04 0.00 0.00 177.00 175.37 1agg s ARG 26 N -1.80 1.08 0.89 0.00 6.06 -0.79 -4.96 118.95 119.43 1agg s ARG 26 Ca 0.16 -0.17 -0.12 0.00 -2.50 0.00 0.00 55.73 53.10 1agg s ARG 26 Cb -0.11 -1.06 0.12 0.00 0.06 0.00 0.00 34.95 33.97 1agg s ARG 26 CO 0.08 -0.10 1.12 0.00 -2.50 0.00 0.00 175.30 173.90 1agg n SER 28 N -3.71 -3.23 -0.25 0.00 7.64 -1.24 -3.02 113.62 109.81 1agg n SER 28 Ca 0.07 -0.49 -0.02 0.00 1.01 0.00 0.00 58.87 59.43 1agg n SER 28 Cb 0.58 -0.84 0.16 0.00 -1.01 0.00 0.00 64.21 63.09 1agg n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1agg h MET 29 N -2.90 1.08 0.07 1.43 -0.00 -1.89 -3.18 114.93 109.54 1agg h MET 29 Ca -0.30 -0.13 -0.00 0.00 -0.00 0.00 0.00 59.70 59.26 1agg h MET 29 Cb 0.93 -0.21 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 1agg h MET 29 CO 0.19 0.81 -0.03 0.82 -0.00 0.00 0.00 176.91 178.69 1agg h ILE 30 N 1.08 1.22 0.00 -0.10 2.04 -1.90 -2.86 117.51 117.00 1agg h ILE 30 Ca 0.27 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1agg h ILE 30 Cb 0.06 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1agg h ILE 30 CO -0.04 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1agg n GLY 31 N 0.73 4.16 3.97 5.37 0.00 -1.20 -2.13 105.19 116.09 1agg n GLY 31 Ca -0.08 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 3.87 -0.34 2.61 -4.23 -1.26 -4.72 115.64 111.57 1agg s THR 32 Ca 0.00 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.76 1agg s THR 32 Cb 0.00 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1agg s THR 32 CO 0.00 -0.22 0.35 0.59 -0.54 0.00 0.00 174.62 174.80 1agg n ASN 33 N -1.92 -5.04 -4.73 3.99 4.13 -1.26 -4.51 115.26 105.91 1agg n ASN 33 Ca 0.02 0.04 -0.29 0.00 1.68 0.00 0.00 54.58 56.03 1agg n ASN 33 Cb 0.58 -3.26 0.14 0.00 -1.54 0.00 0.00 39.78 35.70 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1agg s GLU 35 N -5.01 1.63 0.45 0.00 8.01 -1.12 -1.70 118.70 120.95 1agg s GLU 35 Ca 0.63 -1.87 -0.12 0.00 0.01 0.00 0.00 54.97 53.63 1agg s GLU 35 Cb -0.17 -1.10 -0.06 0.00 -4.31 0.00 0.00 34.13 28.49 1agg s GLU 35 CO 0.56 -0.06 0.84 0.00 0.01 0.00 0.00 175.26 176.62 1agg s THR 37 N -2.52 -0.01 -0.03 0.00 -1.32 -1.09 -3.62 115.64 107.04 1agg s THR 37 Ca 0.53 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.74 1agg s THR 37 Cb -0.10 -0.56 -0.03 0.00 -1.51 0.00 0.00 72.50 70.30 1agg s THR 37 CO 0.34 0.01 1.08 -2.16 -2.21 0.00 0.00 174.62 171.68 1agg s PRO 38 N 0.58 4.45 -0.75 7.08 0.04 -1.26 -4.29 135.00 140.85 1agg s PRO 38 Ca -0.03 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.32 1agg s PRO 38 Cb -0.05 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 31.08 1agg s PRO 38 CO -0.04 -0.26 1.08 0.50 0.04 0.00 0.00 177.00 178.33 1agg s ARG 39 N 1.60 3.25 0.02 4.56 6.06 -1.26 -4.44 118.95 128.74 1agg s ARG 39 Ca 0.53 -0.94 0.00 0.00 -2.50 0.00 0.00 55.73 52.82 1agg s ARG 39 Cb -0.23 -4.44 0.00 0.00 0.06 0.00 0.00 34.95 30.34 1agg s ARG 39 CO 0.24 -1.89 0.00 -0.11 -2.50 0.00 0.00 175.30 171.04 1agg n LEU 40 N 7.84 -0.17 -4.71 -0.88 0.00 -1.26 -5.11 117.00 112.71 1agg n LEU 40 Ca 0.05 0.04 -0.36 0.00 0.00 0.00 0.00 56.01 55.75 1agg n LEU 40 Cb 0.47 0.54 -0.08 0.00 0.00 0.00 0.00 43.42 44.35 1agg n LEU 40 CO 0.63 -0.47 -0.14 -0.51 0.00 0.00 0.00 177.39 176.90 1agg s ILE 41 N -1.05 5.37 -0.08 1.96 -1.16 -1.26 -5.07 121.20 119.91 1agg s ILE 41 Ca 0.00 0.26 -0.30 0.00 -0.51 0.00 0.00 60.65 60.11 1agg s ILE 41 Cb 0.00 -3.51 -0.03 0.00 0.61 0.00 0.00 42.46 39.52 1agg s ILE 41 CO 0.00 0.40 1.30 0.00 -2.81 0.00 0.00 174.94 173.83 1agg s MET 42 N 0.63 4.29 0.10 3.50 0.23 -1.26 -5.01 119.30 121.78 1agg s MET 42 Ca 0.10 1.78 0.04 0.00 -1.03 0.00 0.00 55.69 56.57 1agg s MET 42 Cb -0.12 -3.66 -0.04 0.00 -1.53 0.00 0.00 34.83 29.48 1agg s MET 42 CO 0.01 -0.59 -0.11 -1.83 -2.03 0.00 0.00 175.02 170.48 1agg s GLU 43 N 2.79 0.89 0.00 3.16 -1.05 -1.26 -5.18 118.70 118.05 1agg s GLU 43 Ca 0.59 -1.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1agg s GLU 43 Cb -0.26 -0.58 0.00 0.00 -0.44 0.00 0.00 34.13 32.85 1agg s GLU 43 CO 0.21 0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.92 1agg n GLY 44 N 0.47 0.29 2.75 -3.83 0.00 -1.26 -4.94 105.19 98.68 1agg n GLY 44 Ca -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 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 -7.92 0.00 0.99 7.94 -1.26 -5.05 117.00 111.70 1agg n LEU 45 Ca 0.00 1.31 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1agg n LEU 45 Cb 0.00 -3.32 0.00 0.00 0.53 0.00 0.00 43.42 40.63 1agg n LEU 45 CO 0.00 -3.09 0.00 -1.54 -1.11 0.00 0.00 177.39 171.65 1agg n SER 46 N 0.60 0.00 -3.63 1.96 3.41 -1.17 -4.46 113.62 110.33 1agg n SER 46 Ca 0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.59 1agg n SER 46 Cb 0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1agg n SER 46 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1agg s PHE 47 N -0.22 -1.16 -2.60 7.33 2.19 -1.26 -3.93 117.98 118.34 1agg s PHE 47 Ca 0.00 2.15 0.21 0.00 0.33 0.00 0.00 56.93 59.61 1agg s PHE 47 Cb 0.00 0.69 0.16 0.00 -1.31 0.00 0.00 43.02 42.57 1agg s PHE 47 CO 0.00 -0.57 1.16 0.00 1.83 0.00 0.00 175.22 177.63