#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 0.90 -1.70 4.31 8.00 -1.26 -5.04 116.55 121.76 1agg n ASP 2 Ca 0.00 0.13 -0.20 0.00 0.71 0.00 0.00 54.79 55.43 1agg n ASP 2 Cb 0.00 -0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 40.66 1agg n ASP 2 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1agg n ASN 3 N -3.35 -5.45 -4.06 -2.24 4.13 -1.26 -4.98 115.26 98.05 1agg n ASN 3 Ca -0.03 0.44 -0.10 0.00 1.68 0.00 0.00 54.58 56.57 1agg n ASN 3 Cb 0.11 -4.78 -0.07 0.00 -1.54 0.00 0.00 39.78 33.49 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1agg s ILE 5 N -4.06 3.87 -1.06 0.00 1.01 -0.95 -4.84 121.20 115.17 1agg s ILE 5 Ca 0.27 -2.25 0.00 0.00 0.00 0.00 0.00 60.65 58.67 1agg s ILE 5 Cb 0.02 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1agg s ILE 5 CO 0.09 -0.79 0.48 0.00 0.00 0.00 0.00 174.94 174.71 1agg n ALA 6 N 4.35 2.35 -2.57 9.38 0.00 -1.26 -0.64 120.51 132.11 1agg n ALA 6 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1agg n ALA 6 Cb 0.41 -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 -1.06 2.05 -0.21 0.00 2.02 -1.26 -4.92 118.70 115.31 1agg s GLU 7 Ca 0.00 -1.52 -0.05 0.00 0.02 0.00 0.00 54.97 53.42 1agg s GLU 7 Cb 0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1agg s GLU 7 CO 0.00 0.36 -0.01 -0.51 0.02 0.00 0.00 175.26 175.13 1agg s ASP 8 N -3.49 4.70 -1.39 -0.19 -0.00 -1.26 -4.26 116.67 110.77 1agg s ASP 8 Ca 0.30 -0.26 -0.06 0.00 -0.00 0.00 0.00 52.55 52.52 1agg s ASP 8 Cb -0.06 -1.81 0.01 0.00 -0.00 0.00 0.00 42.92 41.06 1agg s ASP 8 CO 0.17 0.03 0.85 -1.22 -0.00 0.00 0.00 175.17 175.00 1agg n TYR 9 N 4.50 -2.31 -3.20 4.23 4.01 -0.53 -4.91 117.16 118.95 1agg n TYR 9 Ca -0.17 0.73 -0.34 0.00 -0.16 0.00 0.00 57.90 57.96 1agg n TYR 9 Cb 0.51 -4.59 -0.06 0.00 -0.31 0.00 0.00 39.34 34.89 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 -3.01 2.43 -0.07 2.72 0.00 -1.26 -4.55 107.32 103.58 1agg s GLY 10 Ca 0.42 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.85 1agg s GLY 10 CO 0.52 0.26 1.19 0.54 0.00 0.00 0.00 173.10 175.61 1agg s LYS 11 N -2.48 4.35 0.22 2.90 -0.14 -1.26 -1.32 119.74 122.00 1agg s LYS 11 Ca 0.47 1.64 0.03 0.00 -1.36 0.00 0.00 55.97 56.76 1agg s LYS 11 Cb -0.13 -3.58 -0.01 0.00 -1.68 0.00 0.00 37.83 32.43 1agg s LYS 11 CO 0.19 -0.46 0.13 0.00 -0.76 0.00 0.00 175.35 174.45 1agg s THR 13 N -2.63 0.08 -0.65 0.00 -4.23 -1.20 -2.04 115.64 104.97 1agg s THR 13 Ca 0.18 -0.68 -0.21 0.00 -1.18 0.00 0.00 61.69 59.79 1agg s THR 13 Cb 0.01 -0.40 0.09 0.00 1.34 0.00 0.00 72.50 73.54 1agg s THR 13 CO 0.13 -0.38 0.89 0.26 -0.54 0.00 0.00 174.62 174.98 1agg s TRP 14 N -1.32 2.81 0.00 3.99 0.52 -1.26 -3.48 118.94 120.21 1agg s TRP 14 Ca -0.14 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.23 1agg s TRP 14 Cb -0.08 -4.20 0.00 0.00 -1.15 0.00 0.00 33.47 28.05 1agg s TRP 14 CO 0.01 -1.52 0.00 0.41 0.02 0.00 0.00 176.95 175.87 1agg n GLY 15 N 5.31 0.27 0.00 0.98 0.00 -1.26 -5.10 105.19 105.39 1agg n GLY 15 Ca -0.04 -0.48 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 -0.38 1.45 3.82 -0.02 0.00 -1.23 -5.14 105.19 103.70 1agg n GLY 16 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.54 4.83 0.55 2.61 2.01 -1.26 -4.92 115.64 117.92 1agg s THR 17 Ca 0.00 1.04 0.04 0.00 0.31 0.00 0.00 61.69 63.08 1agg s THR 17 Cb 0.00 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.73 1agg s THR 17 CO 0.00 0.49 0.33 -0.54 -0.69 0.00 0.00 174.62 174.21 1agg s LYS 18 N -1.29 2.24 0.23 4.92 -0.14 -1.26 -3.24 119.74 121.20 1agg s LYS 18 Ca 0.30 -2.14 -0.27 0.00 -1.36 0.00 0.00 55.97 52.50 1agg s LYS 18 Cb -0.18 -1.96 -0.09 0.00 -1.68 0.00 0.00 37.83 33.92 1agg s LYS 18 CO 0.18 -0.61 0.88 0.00 -0.76 0.00 0.00 175.35 175.03 1agg n ARG 21 N -5.41 1.93 -2.15 0.00 0.63 -1.26 -4.84 116.66 105.56 1agg n ARG 21 Ca 0.01 -1.94 -0.05 0.00 -0.92 0.00 0.00 57.85 54.96 1agg n ARG 21 Cb 0.33 -1.76 0.02 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 -0.16 0.02 3.09 5.14 0.00 -1.08 -5.09 105.19 107.11 1agg n GLY 22 Ca 0.38 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.45 1.99 1.04 1.61 1.81 -1.12 -5.05 118.95 115.78 1agg s ARG 23 Ca 0.15 -0.56 -0.18 0.00 -1.72 0.00 0.00 55.73 53.42 1agg s ARG 23 Cb -0.02 -1.62 0.25 0.00 -0.45 0.00 0.00 34.95 33.10 1agg s ARG 23 CO 0.28 0.12 1.24 -0.35 -0.68 0.00 0.00 175.30 175.91 1agg n PRO 24 N 3.57 -1.82 -4.29 3.54 -0.04 -1.26 -2.41 135.00 132.28 1agg n PRO 24 Ca -0.21 -1.94 -0.19 0.00 -0.04 0.00 0.00 63.50 61.12 1agg n PRO 24 Cb 0.52 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.43 1agg n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1agg s ARG 26 N -1.31 1.10 0.81 0.00 1.81 -0.67 -4.96 118.95 115.73 1agg s ARG 26 Ca 0.00 -0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 53.68 1agg s ARG 26 Cb -0.08 -1.00 0.08 0.00 -0.45 0.00 0.00 34.95 33.49 1agg s ARG 26 CO 0.01 -0.02 1.10 0.00 -0.68 0.00 0.00 175.30 175.72 1agg n SER 28 N -3.46 -0.62 -0.02 0.00 2.88 -1.25 -4.69 113.62 106.46 1agg n SER 28 Ca 0.07 -0.37 -0.01 0.00 -1.33 0.00 0.00 58.87 57.23 1agg n SER 28 Cb 0.57 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.57 0.24 -1.46 2.86 -1.92 -3.28 114.93 111.93 1agg h MET 29 Ca 0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1agg h MET 29 Cb 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1agg h MET 29 CO 0.00 0.60 -0.11 0.82 1.06 0.00 0.00 176.91 179.28 1agg h ILE 30 N 0.54 0.17 0.00 -1.22 5.03 -1.93 -3.50 117.51 116.60 1agg h ILE 30 Ca 0.11 -0.84 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 1agg h ILE 30 Cb 0.37 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 34.45 1agg h ILE 30 CO 0.01 0.05 0.00 0.61 -0.68 0.00 0.00 178.15 178.14 1agg n GLY 31 N 0.88 3.41 3.89 5.37 0.00 -1.24 -5.11 105.19 112.39 1agg n GLY 31 Ca -0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 4.85 -0.40 2.61 -4.23 -1.26 -4.55 115.64 112.66 1agg s THR 32 Ca 0.00 0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 60.90 1agg s THR 32 Cb 0.00 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.09 1agg s THR 32 CO 0.00 -0.54 0.44 0.59 -0.54 0.00 0.00 174.62 174.57 1agg n ASN 33 N -1.40 -5.93 -4.67 3.99 3.02 -1.26 -4.76 115.26 104.25 1agg n ASN 33 Ca 0.01 0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.42 1agg n ASN 33 Cb 0.54 -3.91 0.18 0.00 -0.61 0.00 0.00 39.78 35.98 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 -4.95 1.38 0.43 0.00 2.02 -1.10 -1.25 118.70 115.23 1agg s GLU 35 Ca 0.66 -1.74 -0.04 0.00 0.02 0.00 0.00 54.97 53.86 1agg s GLU 35 Cb -0.19 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 1agg s GLU 35 CO 0.58 -0.29 0.71 0.00 0.02 0.00 0.00 175.26 176.28 1agg s THR 37 N -2.57 0.26 0.00 0.00 -4.23 -1.02 -1.45 115.64 106.63 1agg s THR 37 Ca 0.45 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1agg s THR 37 Cb -0.10 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1agg s THR 37 CO 0.41 0.15 0.22 -0.81 -0.54 0.00 0.00 174.62 174.05 1agg n PRO 38 N 3.98 0.00 0.04 3.99 -0.04 -1.26 -4.30 135.00 137.41 1agg n PRO 38 Ca -0.25 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1agg n PRO 38 Cb 0.51 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 1agg n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1agg n ARG 39 N -0.79 0.00 0.00 0.54 1.74 -1.26 -4.88 116.66 112.01 1agg n ARG 39 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1agg n ARG 39 Cb 0.00 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 1agg n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1agg n LEU 40 N -2.81 0.00 -2.19 0.55 4.32 -1.26 -4.88 117.00 110.73 1agg n LEU 40 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 1agg n LEU 40 Cb 0.01 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1agg n LEU 40 CO 0.00 0.00 -0.33 -0.38 -1.22 0.00 0.00 177.39 175.46 1agg n ILE 41 N 0.00 -8.26 -4.10 -0.08 2.08 -1.26 -5.10 119.36 102.64 1agg n ILE 41 Ca 0.00 1.29 -0.12 0.00 0.56 0.00 0.00 62.75 64.47 1agg n ILE 41 Cb 0.00 -5.60 -0.11 0.00 -0.75 0.00 0.00 39.64 33.18 1agg n ILE 41 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1agg s MET 42 N -0.91 0.64 0.22 0.38 0.23 -1.26 -5.08 119.30 113.51 1agg s MET 42 Ca -0.06 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 53.65 1agg s MET 42 Cb 0.00 -0.29 0.00 0.00 -1.53 0.00 0.00 34.83 33.02 1agg s MET 42 CO 0.47 0.03 0.00 -1.91 -2.03 0.00 0.00 175.02 171.58 1agg n GLU 43 N 0.96 -2.07 0.00 3.16 2.13 -1.26 -4.93 120.64 118.64 1agg n GLU 43 Ca -0.19 1.53 0.00 0.00 0.66 0.00 0.00 57.16 59.16 1agg n GLU 43 Cb 0.57 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.57 1agg n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1agg n GLY 44 N -0.73 -1.22 3.50 8.31 0.00 -1.26 -4.54 105.19 109.24 1agg n GLY 44 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1agg n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1agg s LEU 45 N -2.63 4.27 -0.37 0.99 1.98 -1.26 -4.99 118.68 116.67 1agg s LEU 45 Ca 0.00 -0.58 0.02 0.00 -2.89 0.00 0.00 54.13 50.68 1agg s LEU 45 Cb 0.00 -2.68 0.11 0.00 0.66 0.00 0.00 46.19 44.28 1agg s LEU 45 CO 0.00 -1.24 0.14 -0.94 -1.89 0.00 0.00 176.35 172.42 1agg s SER 46 N 3.03 4.13 -0.05 3.68 1.04 -1.26 -5.02 113.70 119.26 1agg s SER 46 Ca 0.27 -2.18 -0.05 0.00 0.48 0.00 0.00 55.95 54.47 1agg s SER 46 Cb -0.14 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.79 1agg s SER 46 CO 0.16 -0.35 -0.09 0.33 0.98 0.00 0.00 173.24 174.27 1agg n PHE 47 N 4.17 0.04 -0.51 5.02 7.35 -1.26 -5.19 117.46 127.07 1agg n PHE 47 Ca 0.03 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1agg n PHE 47 Cb 0.39 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.04 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00