#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg s ASP 2 N 0.00 5.86 0.00 1.62 -4.77 -1.26 -4.92 116.67 113.20 1agg s ASP 2 Ca 0.00 -1.14 0.00 0.00 -3.30 0.00 0.00 52.55 48.11 1agg s ASP 2 Cb 0.00 -2.07 0.00 0.00 -1.09 0.00 0.00 42.92 39.76 1agg s ASP 2 CO 0.00 -0.48 0.00 -0.46 0.70 0.00 0.00 175.17 174.93 1agg n ASN 3 N 5.05 0.00 -4.07 2.11 6.94 -1.26 -5.19 115.26 118.84 1agg n ASN 3 Ca -0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.33 1agg n ASN 3 Cb 0.45 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.79 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1agg s ILE 5 N -4.05 4.07 -0.92 0.00 1.01 -0.96 -4.83 121.20 115.52 1agg s ILE 5 Ca 0.34 -3.25 0.00 0.00 0.00 0.00 0.00 60.65 57.74 1agg s ILE 5 Cb 0.04 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.95 1agg s ILE 5 CO 0.12 -0.96 0.57 0.00 0.00 0.00 0.00 174.94 174.67 1agg n ALA 6 N 3.10 2.55 -2.86 9.38 0.00 -1.26 -1.32 120.51 130.10 1agg n ALA 6 Ca 0.13 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1agg n ALA 6 Cb 0.38 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.00 3.12 -0.26 0.00 8.01 -1.26 -4.94 118.70 122.38 1agg s GLU 7 Ca 0.02 -0.95 -0.09 0.00 0.01 0.00 0.00 54.97 53.96 1agg s GLU 7 Cb 0.01 -2.69 -0.04 0.00 -4.31 0.00 0.00 34.13 27.10 1agg s GLU 7 CO 0.00 0.39 0.13 -0.51 0.01 0.00 0.00 175.26 175.29 1agg s ASP 8 N -3.91 5.67 -1.55 -0.19 1.11 -1.26 -4.19 116.67 112.35 1agg s ASP 8 Ca 0.34 -0.07 -0.14 0.00 0.18 0.00 0.00 52.55 52.86 1agg s ASP 8 Cb -0.08 -2.03 0.09 0.00 1.07 0.00 0.00 42.92 41.96 1agg s ASP 8 CO 0.27 -0.02 0.98 -1.22 1.18 0.00 0.00 175.17 176.36 1agg n TYR 9 N 4.82 -2.28 -2.86 4.23 4.01 -0.91 -4.90 117.16 119.29 1agg n TYR 9 Ca -0.15 0.90 -0.38 0.00 -0.16 0.00 0.00 57.90 58.11 1agg n TYR 9 Cb 0.52 -3.92 -0.06 0.00 -0.31 0.00 0.00 39.34 35.56 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 -3.31 2.91 -0.02 2.72 0.00 -1.26 -4.40 107.32 103.96 1agg s GLY 10 Ca 0.67 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 45.56 1agg s GLY 10 CO 0.84 0.96 1.28 1.25 0.00 0.00 0.00 173.10 177.43 1agg s LYS 11 N -1.56 4.33 0.29 2.90 2.20 -1.26 -0.77 119.74 125.88 1agg s LYS 11 Ca 0.43 1.81 0.07 0.00 -0.36 0.00 0.00 55.97 57.91 1agg s LYS 11 Cb -0.22 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1agg s LYS 11 CO 0.27 -0.48 0.24 0.00 -0.36 0.00 0.00 175.35 175.02 1agg s THR 13 N -3.16 0.12 -0.77 0.00 2.01 -1.19 -1.76 115.64 110.89 1agg s THR 13 Ca 0.34 -1.44 -0.17 0.00 0.31 0.00 0.00 61.69 60.73 1agg s THR 13 Cb 0.02 -1.64 0.15 0.00 0.01 0.00 0.00 72.50 71.04 1agg s THR 13 CO 0.24 -0.55 0.85 0.26 -0.69 0.00 0.00 174.62 174.73 1agg s TRP 14 N -3.93 3.27 0.00 4.92 0.51 -1.26 -4.05 118.94 118.39 1agg s TRP 14 Ca 0.12 -1.41 0.00 0.00 -2.12 0.00 0.00 56.10 52.69 1agg s TRP 14 Cb 0.05 -4.04 0.00 0.00 -0.81 0.00 0.00 33.47 28.67 1agg s TRP 14 CO -0.05 -1.26 0.00 0.41 -0.51 0.00 0.00 176.95 175.54 1agg n GLY 15 N 4.94 2.85 0.00 0.98 0.00 -1.26 -5.10 105.19 107.61 1agg n GLY 15 Ca 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.76 3.76 -0.02 0.00 -1.26 -5.00 105.19 100.92 1agg n GLY 16 Ca 0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 3.44 0.56 2.61 2.01 -1.26 -4.87 115.64 118.12 1agg s THR 17 Ca 0.00 1.40 0.06 0.00 0.31 0.00 0.00 61.69 63.46 1agg s THR 17 Cb 0.00 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.70 1agg s THR 17 CO 0.00 0.29 0.51 0.29 -0.69 0.00 0.00 174.62 175.03 1agg n LYS 18 N 0.97 0.66 -2.80 4.92 4.76 -1.26 -3.19 118.16 122.22 1agg n LYS 18 Ca -0.00 -3.38 -0.38 0.00 -2.87 0.00 0.00 58.31 51.68 1agg n LYS 18 Cb 0.45 0.21 -0.06 0.00 -1.84 0.00 0.00 35.03 33.79 1agg n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1agg n ARG 21 N -5.37 1.83 -2.64 0.00 0.63 -1.26 -4.79 116.66 105.05 1agg n ARG 21 Ca 0.03 -1.80 -0.03 0.00 -0.92 0.00 0.00 57.85 55.13 1agg n ARG 21 Cb 0.28 -1.71 0.01 0.00 0.45 0.00 0.00 32.46 31.50 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 -0.22 -0.84 3.10 5.14 0.00 -1.20 -5.09 105.19 106.08 1agg n GLY 22 Ca 0.35 0.29 -0.25 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.29 1.62 0.92 1.61 0.52 -1.12 -5.06 118.95 114.16 1agg s ARG 23 Ca 0.10 -0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 54.63 1agg s ARG 23 Cb -0.01 -1.42 0.15 0.00 0.52 0.00 0.00 34.95 34.20 1agg s ARG 23 CO 0.53 0.20 1.22 -1.25 0.02 0.00 0.00 175.30 176.01 1agg s PRO 24 N 0.13 1.03 0.04 3.54 0.04 -1.26 -2.54 135.00 135.99 1agg s PRO 24 Ca -0.05 -0.05 0.05 0.00 0.04 0.00 0.00 61.00 60.99 1agg s PRO 24 Cb -0.11 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1agg s PRO 24 CO 0.02 -2.21 -0.15 0.00 0.04 0.00 0.00 177.00 174.70 1agg s ARG 26 N -1.19 1.14 0.85 0.00 3.00 -1.00 -4.94 118.95 116.80 1agg s ARG 26 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 55.73 55.25 1agg s ARG 26 Cb -0.08 -1.05 0.10 0.00 0.00 0.00 0.00 34.95 33.92 1agg s ARG 26 CO 0.01 0.16 1.11 0.00 0.00 0.00 0.00 175.30 176.59 1agg n SER 28 N -3.58 -0.89 -0.20 0.00 2.88 -1.25 -4.69 113.62 105.88 1agg n SER 28 Ca 0.07 -0.08 0.01 0.00 -1.33 0.00 0.00 58.87 57.54 1agg n SER 28 Cb 0.57 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.29 1agg n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1agg h MET 29 N 0.00 0.95 0.07 -1.46 -0.00 -1.91 -3.24 114.93 109.34 1agg h MET 29 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1agg h MET 29 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 31.60 31.39 1agg h MET 29 CO 0.00 0.63 -0.03 0.82 -0.00 0.00 0.00 176.91 178.32 1agg h ILE 30 N 0.98 1.19 0.00 -0.10 2.04 -1.94 -3.49 117.51 116.19 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 -0.10 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1agg h ILE 30 CO -0.06 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.02 1agg n GLY 31 N 0.76 3.78 3.79 5.37 0.00 -1.23 -5.12 105.19 112.55 1agg n GLY 31 Ca -0.08 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.01 3.85 -0.27 2.61 -4.23 -1.26 -4.77 115.64 111.56 1agg s THR 32 Ca 0.00 -1.53 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1agg s THR 32 Cb 0.00 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.66 1agg s THR 32 CO 0.00 -0.29 0.32 0.59 -0.54 0.00 0.00 174.62 174.70 1agg n ASN 33 N -1.17 -5.03 -4.60 3.99 3.02 -1.26 -4.71 115.26 105.50 1agg n ASN 33 Ca -0.05 0.17 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 1agg n ASN 33 Cb 0.59 -3.24 0.16 0.00 -0.61 0.00 0.00 39.78 36.68 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1agg s GLU 35 N -5.26 1.57 0.41 0.00 2.02 -1.12 -1.33 118.70 114.98 1agg s GLU 35 Ca 0.66 -1.86 -0.18 0.00 0.02 0.00 0.00 54.97 53.60 1agg s GLU 35 Cb -0.14 -0.65 -0.10 0.00 0.10 0.00 0.00 34.13 33.34 1agg s GLU 35 CO 0.55 -0.23 0.89 0.00 0.02 0.00 0.00 175.26 176.49 1agg s THR 37 N -2.19 4.95 0.10 0.00 -4.23 -1.11 -2.13 115.64 111.03 1agg s THR 37 Ca 0.59 1.37 -0.35 0.00 -1.18 0.00 0.00 61.69 62.12 1agg s THR 37 Cb -0.09 -4.03 -0.15 0.00 1.34 0.00 0.00 72.50 69.57 1agg s THR 37 CO 0.17 0.05 1.56 -0.65 -0.54 0.00 0.00 174.62 175.21 1agg h PRO 38 N 7.49 -0.77 -3.35 3.99 0.11 -1.92 -3.45 132.00 134.10 1agg h PRO 38 Ca -0.29 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1agg h PRO 38 Cb 1.13 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1agg h PRO 38 CO 0.81 -0.51 -0.49 2.89 -0.21 0.00 0.00 178.00 180.48 1agg n ARG 39 N -5.50 -2.59 -1.93 1.05 1.85 -1.26 -4.95 116.66 103.33 1agg n ARG 39 Ca -0.09 1.90 -0.02 0.00 -1.00 0.00 0.00 57.85 58.64 1agg n ARG 39 Cb 0.42 -2.37 -0.02 0.00 -1.05 0.00 0.00 32.46 29.45 1agg n ARG 39 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1agg n LEU 40 N -0.15 -4.30 -4.64 2.89 0.00 -1.26 -5.06 117.00 104.48 1agg n LEU 40 Ca 0.00 1.35 -0.35 0.00 0.00 0.00 0.00 56.01 57.01 1agg n LEU 40 Cb 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 43.42 41.12 1agg n LEU 40 CO 0.00 -1.90 -0.29 -0.51 0.00 0.00 0.00 177.39 174.68 1agg s ILE 41 N -0.34 4.42 -0.50 1.96 1.10 -1.26 -5.09 121.20 121.49 1agg s ILE 41 Ca -0.09 -0.19 -0.24 0.00 -0.51 0.00 0.00 60.65 59.62 1agg s ILE 41 Cb 0.01 -2.92 0.03 0.00 0.15 0.00 0.00 42.46 39.73 1agg s ILE 41 CO 0.25 0.54 0.90 -0.32 -2.11 0.00 0.00 174.94 174.20 1agg s MET 42 N -0.28 3.41 -0.11 3.50 -2.45 -1.26 -5.03 119.30 117.08 1agg s MET 42 Ca 0.07 -0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 1agg s MET 42 Cb -0.12 -3.99 -0.01 0.00 1.25 0.00 0.00 34.83 31.96 1agg s MET 42 CO 0.02 -1.32 -0.16 -2.00 1.05 0.00 0.00 175.02 172.61 1agg s GLU 43 N 3.72 3.22 0.00 4.11 2.56 -1.26 -4.84 118.70 126.21 1agg s GLU 43 Ca 0.32 -0.73 0.00 0.00 0.00 0.00 0.00 54.97 54.56 1agg s GLU 43 Cb -0.12 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.49 1agg s GLU 43 CO 0.22 0.25 0.00 0.41 -0.56 0.00 0.00 175.26 175.58 1agg n GLY 44 N 3.40 -0.23 0.00 -1.50 0.00 -1.08 -4.98 105.19 100.80 1agg n GLY 44 Ca -0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 1agg n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1agg n LEU 45 N -0.23 0.00 -0.01 0.99 4.32 -1.26 -4.86 117.00 115.96 1agg n LEU 45 Ca 0.00 0.16 -0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1agg n LEU 45 Cb 0.00 -0.50 -0.00 0.00 -1.62 0.00 0.00 43.42 41.30 1agg n LEU 45 CO 0.00 -0.50 -0.04 -1.20 -1.22 0.00 0.00 177.39 174.43 1agg n SER 46 N -2.35 0.17 -3.39 -1.43 7.64 -1.26 -4.98 113.62 108.02 1agg n SER 46 Ca -0.00 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 1agg n SER 46 Cb 0.00 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 62.58 1agg n SER 46 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1agg s PHE 47 N -1.12 -0.65 0.00 1.43 5.36 -1.26 -5.28 117.98 116.46 1agg s PHE 47 Ca -0.02 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 1agg s PHE 47 Cb 0.00 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 1agg s PHE 47 CO 0.02 -0.76 0.00 0.00 -1.46 0.00 0.00 175.22 173.02