#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0i s LYS 2 N 0.00 4.26 0.51 0.03 -0.14 -1.26 -4.87 119.74 118.26 1r0i s LYS 2 Ca 0.00 0.93 -0.19 0.00 -1.36 0.00 0.00 55.97 55.35 1r0i s LYS 2 Cb 0.00 -2.72 -0.07 0.00 -1.68 0.00 0.00 37.83 33.35 1r0i s LYS 2 CO 0.00 0.29 1.03 0.15 -0.76 0.00 0.00 175.35 176.06 1r0i s LYS 3 N -2.28 3.74 0.05 1.68 1.02 -1.26 -4.61 119.74 118.07 1r0i s LYS 3 Ca 0.48 1.27 0.07 0.00 0.02 0.00 0.00 55.97 57.81 1r0i s LYS 3 Cb -0.15 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1r0i s LYS 3 CO 0.20 -0.47 -0.20 0.71 -0.92 0.00 0.00 175.35 174.67 1r0i s TYR 4 N -2.17 1.76 -0.02 3.18 1.51 -0.89 -1.00 117.35 119.71 1r0i s TYR 4 Ca 0.65 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 56.41 1r0i s TYR 4 Cb -0.15 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1r0i s TYR 4 CO 0.24 0.09 -0.24 -0.08 -1.11 0.00 0.00 175.55 174.46 1r0i s THR 5 N -0.83 2.23 -0.13 -0.71 -1.32 -0.13 -0.23 115.64 114.53 1r0i s THR 5 Ca 0.07 -1.07 -0.29 0.00 -1.21 0.00 0.00 61.69 59.18 1r0i s THR 5 Cb -0.09 -1.80 -0.03 0.00 -1.51 0.00 0.00 72.50 69.07 1r0i s THR 5 CO 0.02 0.56 1.41 0.00 -2.21 0.00 0.00 174.62 174.40 1r0i n THR 7 N 5.46 0.00 -0.09 0.00 -2.24 -0.43 -1.22 114.28 115.75 1r0i n THR 7 Ca 0.15 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 1r0i n THR 7 Cb 0.44 -0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.41 1r0i n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1r0i h VAL 8 N 0.66 0.65 0.00 2.28 2.07 -1.91 -3.44 116.25 116.56 1r0i h VAL 8 Ca 0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1r0i h VAL 8 Cb 0.22 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1r0i h VAL 8 CO 0.00 0.22 -1.43 0.00 0.02 0.00 0.00 177.57 176.38 1r0i n GLY 10 N 1.94 0.44 3.63 0.00 0.00 -0.36 -5.05 105.19 105.78 1r0i n GLY 10 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1r0i n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r0i n TYR 11 N -1.78 1.55 -3.94 1.61 9.36 -1.26 -4.64 117.16 118.06 1r0i n TYR 11 Ca 0.00 0.61 -0.35 0.00 3.32 0.00 0.00 57.90 61.48 1r0i n TYR 11 Cb 0.00 -2.29 -0.14 0.00 -0.63 0.00 0.00 39.34 36.28 1r0i n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r0i s ILE 12 N -1.14 3.30 -0.24 2.97 -1.09 -1.26 -0.72 121.20 123.01 1r0i s ILE 12 Ca 0.59 -0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 58.22 1r0i s ILE 12 Cb -0.61 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1r0i s ILE 12 CO 0.60 0.43 0.94 -0.47 -1.23 0.00 0.00 174.94 175.21 1r0i s TYR 13 N 1.44 3.32 -0.30 3.97 5.04 0.68 -4.97 117.35 126.53 1r0i s TYR 13 Ca 0.05 1.30 -0.05 0.00 -2.44 0.00 0.00 57.07 55.94 1r0i s TYR 13 Cb -0.14 -3.18 0.02 0.00 0.35 0.00 0.00 41.96 39.01 1r0i s TYR 13 CO -0.04 -0.45 0.04 1.21 -1.34 0.00 0.00 175.55 174.98 1r0i s ASN 14 N 1.28 4.96 0.58 4.32 3.84 -1.26 -2.10 114.94 126.55 1r0i s ASN 14 Ca 0.40 -0.92 0.32 0.00 0.21 0.00 0.00 52.86 52.87 1r0i s ASN 14 Cb -0.15 -1.81 1.77 0.00 -0.55 0.00 0.00 41.25 40.51 1r0i s ASN 14 CO 0.07 -0.22 2.19 1.55 -2.79 0.00 0.00 177.10 177.91 1r0i h PRO 15 N 8.15 0.00 0.00 0.43 0.13 -1.82 -1.00 132.00 137.89 1r0i h PRO 15 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1r0i h PRO 15 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1r0i h PRO 15 CO 0.59 0.05 -0.28 0.93 -0.23 0.00 0.00 178.00 179.06 1r0i h GLU 16 N 0.00 0.00 0.00 0.86 5.08 -1.94 0.43 114.58 119.01 1r0i h GLU 16 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1r0i h GLU 16 Cb 0.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1r0i h GLU 16 CO 0.01 0.28 -1.98 -0.25 -1.00 0.00 0.00 179.01 176.06 1r0i n ASP 17 N -4.15 0.38 0.00 1.42 8.00 -0.52 -4.28 116.55 117.40 1r0i n ASP 17 Ca -0.02 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1r0i n ASP 17 Cb 0.33 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 1r0i n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r0i n GLY 18 N 1.57 0.69 2.31 0.44 0.00 -0.49 -4.14 105.19 105.57 1r0i n GLY 18 Ca -0.21 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 1r0i n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r0i n ASP 19 N -2.44 -0.33 0.22 1.61 2.03 0.19 -4.71 116.55 113.12 1r0i n ASP 19 Ca 0.00 -2.93 0.06 0.00 0.52 0.00 0.00 54.79 52.45 1r0i n ASP 19 Cb 0.00 -0.07 0.56 0.00 -0.72 0.00 0.00 41.12 40.89 1r0i n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r0i h PRO 20 N 3.71 0.05 0.00 -0.67 0.13 -1.61 -1.63 132.00 131.98 1r0i h PRO 20 Ca 0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1r0i h PRO 20 Cb 0.94 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1r0i h PRO 20 CO 0.43 0.11 0.00 -0.44 -0.23 0.00 0.00 178.00 177.87 1r0i h ASP 21 N 0.05 0.00 -0.29 1.44 3.32 -1.96 -1.58 116.42 117.40 1r0i h ASP 21 Ca 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1r0i h ASP 21 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1r0i h ASP 21 CO 0.01 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 1r0i n ASN 22 N -3.02 3.64 0.00 6.45 3.02 -0.67 -4.97 115.26 119.71 1r0i n ASN 22 Ca -0.00 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 1r0i n ASN 22 Cb 0.23 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1r0i n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r0i n GLY 23 N -0.63 0.51 3.33 7.41 0.00 -0.60 -5.02 105.19 110.20 1r0i n GLY 23 Ca 0.24 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1r0i n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0i s VAL 24 N -2.00 4.63 0.53 1.61 1.01 -0.83 -4.97 120.40 120.38 1r0i s VAL 24 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 1r0i s VAL 24 Cb 0.00 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1r0i s VAL 24 CO 0.00 -0.46 1.04 0.20 0.00 0.00 0.00 175.10 175.87 1r0i s ASN 25 N 2.12 6.16 0.30 3.32 -0.87 -1.26 -0.64 114.94 124.08 1r0i s ASN 25 Ca 0.03 1.82 -0.27 0.00 -1.57 0.00 0.00 52.86 52.87 1r0i s ASN 25 Cb -0.22 -2.54 -0.14 0.00 -0.02 0.00 0.00 41.25 38.33 1r0i s ASN 25 CO 0.05 -0.91 0.97 -2.65 -2.57 0.00 0.00 177.10 171.99 1r0i n PRO 26 N -1.49 1.27 -0.50 -0.60 -0.02 -1.26 -2.38 135.00 130.02 1r0i n PRO 26 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1r0i n PRO 26 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1r0i n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r0i n GLY 27 N 1.27 0.75 3.64 -1.23 0.00 0.15 -4.91 105.19 104.85 1r0i n GLY 27 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1r0i n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0i s THR 28 N -2.37 5.02 0.44 2.61 2.01 -1.00 -5.01 115.64 117.35 1r0i s THR 28 Ca 0.00 1.08 -0.24 0.00 0.31 0.00 0.00 61.69 62.84 1r0i s THR 28 Cb 0.00 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 1r0i s THR 28 CO 0.00 0.08 1.26 -0.62 -0.69 0.00 0.00 174.62 174.64 1r0i s ASP 29 N 1.37 6.13 0.28 3.53 2.15 -1.26 -4.64 116.67 124.23 1r0i s ASP 29 Ca 0.26 2.54 0.02 0.00 0.43 0.00 0.00 52.55 55.79 1r0i s ASP 29 Cb -0.16 -2.63 0.59 0.00 -0.30 0.00 0.00 42.92 40.43 1r0i s ASP 29 CO 0.09 -0.96 1.79 0.15 -0.17 0.00 0.00 175.17 176.07 1r0i h PHE 30 N 2.31 0.99 -0.06 -5.34 3.57 -1.97 -1.25 116.94 115.19 1r0i h PHE 30 Ca -0.50 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1r0i h PHE 30 Cb 1.25 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1r0i h PHE 30 CO 0.52 0.30 -0.05 1.57 -2.23 0.00 0.00 178.31 178.42 1r0i h LYS 31 N 0.80 0.09 -0.00 1.11 2.10 -1.99 -2.29 116.57 116.39 1r0i h LYS 31 Ca 0.51 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1r0i h LYS 31 Cb 0.65 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1r0i h LYS 31 CO -0.33 0.15 -0.28 -0.25 -2.00 0.00 0.00 179.45 176.74 1r0i n ASP 32 N -4.42 0.55 -4.73 7.07 8.00 -0.49 -4.85 116.55 117.68 1r0i n ASP 32 Ca -0.02 -0.37 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 1r0i n ASP 32 Cb 0.16 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1r0i n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r0i s ILE 33 N -2.76 2.15 0.27 0.53 1.01 -0.86 -4.92 121.20 116.62 1r0i s ILE 33 Ca 0.19 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 1r0i s ILE 33 Cb 0.19 -3.07 -0.14 0.00 0.01 0.00 0.00 42.46 39.44 1r0i s ILE 33 CO 0.58 0.01 1.07 -2.65 0.00 0.00 0.00 174.94 173.96 1r0i n PRO 34 N 3.32 1.42 0.00 2.79 -0.02 -1.26 -4.82 135.00 136.43 1r0i n PRO 34 Ca 0.13 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1r0i n PRO 34 Cb 0.37 -1.92 0.74 0.00 -0.02 0.00 0.00 33.50 32.67 1r0i n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r0i n ASP 35 N 1.35 0.00 -0.92 2.55 8.00 -1.26 -1.55 116.55 124.73 1r0i n ASP 35 Ca 0.10 -0.98 0.12 0.00 0.71 0.00 0.00 54.79 54.74 1r0i n ASP 35 Cb 0.31 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.62 1r0i n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1r0i n ASP 36 N -0.94 2.82 -4.76 -2.24 5.75 -1.26 -4.79 116.55 111.12 1r0i n ASP 36 Ca 0.19 -1.91 -0.39 0.00 -0.01 0.00 0.00 54.79 52.67 1r0i n ASP 36 Cb 0.09 -0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.11 1r0i n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1r0i s TRP 37 N -1.87 2.70 0.21 2.11 -0.00 -0.59 -5.03 118.94 116.47 1r0i s TRP 37 Ca 0.32 1.43 0.08 0.00 -0.00 0.00 0.00 56.10 57.93 1r0i s TRP 37 Cb 0.21 -3.63 -0.05 0.00 -0.00 0.00 0.00 33.47 30.00 1r0i s TRP 37 CO 0.31 -2.14 -0.14 0.14 -0.00 0.00 0.00 176.95 175.12 1r0i s VAL 38 N -1.35 1.73 0.11 5.86 -7.23 -1.26 -3.81 120.40 114.45 1r0i s VAL 38 Ca 0.62 -2.21 -0.33 0.00 -1.81 0.00 0.00 61.98 58.25 1r0i s VAL 38 Cb -0.36 -2.09 -0.13 0.00 0.56 0.00 0.00 36.38 34.36 1r0i s VAL 38 CO 0.45 -0.57 1.68 0.00 -0.31 0.00 0.00 175.10 176.36 1r0i h PRO 40 N 6.97 0.00 0.00 0.00 0.13 -1.96 -1.17 132.00 135.97 1r0i h PRO 40 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 1r0i h PRO 40 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1r0i h PRO 40 CO 0.91 0.00 -2.14 -0.11 -0.23 0.00 0.00 178.00 176.43 1r0i n LEU 41 N -2.34 2.02 -0.00 1.56 -0.00 -1.26 -4.79 117.00 112.18 1r0i n LEU 41 Ca 0.01 0.33 0.03 0.00 -0.00 0.00 0.00 56.01 56.38 1r0i n LEU 41 Cb 0.18 -0.88 -0.04 0.00 -0.00 0.00 0.00 43.42 42.68 1r0i n LEU 41 CO 0.18 0.52 -0.15 0.00 -0.00 0.00 0.00 177.39 177.94 1r0i n GLY 43 N 1.39 0.76 3.84 0.00 0.00 -0.44 -4.98 105.19 105.75 1r0i n GLY 43 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1r0i n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r0i s VAL 44 N -2.76 4.30 0.92 1.61 -7.23 -1.26 -4.49 120.40 111.49 1r0i s VAL 44 Ca 0.00 0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 60.78 1r0i s VAL 44 Cb 0.00 -3.59 0.15 0.00 0.56 0.00 0.00 36.38 33.50 1r0i s VAL 44 CO 0.00 -0.98 1.18 -0.83 -0.31 0.00 0.00 175.10 174.16 1r0i s GLY 45 N -3.95 1.62 0.54 2.32 0.00 -1.26 -0.72 107.32 105.87 1r0i s GLY 45 Ca 0.57 -0.71 0.24 0.00 0.00 0.00 0.00 44.72 44.81 1r0i s GLY 45 CO 0.55 -0.11 2.04 0.50 0.00 0.00 0.00 173.10 176.08 1r0i h LYS 46 N -1.49 0.00 0.00 2.90 1.57 -1.87 -2.58 116.57 115.10 1r0i h LYS 46 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1r0i h LYS 46 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1r0i h LYS 46 CO 0.57 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.05 1r0i n ASP 47 N -4.33 0.00 -1.05 0.86 5.68 -1.26 -1.56 116.55 114.89 1r0i n ASP 47 Ca 0.06 0.41 0.12 0.00 -0.50 0.00 0.00 54.79 54.88 1r0i n ASP 47 Cb 0.46 -0.45 0.24 0.00 -1.14 0.00 0.00 41.12 40.23 1r0i n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r0i n GLN 48 N -1.45 2.38 -3.57 0.11 1.13 -0.97 -4.94 117.38 110.07 1r0i n GLN 48 Ca 0.03 -2.08 -0.29 0.00 -1.94 0.00 0.00 57.00 52.72 1r0i n GLN 48 Cb 0.12 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 28.94 1r0i n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1r0i s PHE 49 N -1.56 3.47 0.03 1.08 0.40 -0.60 -1.32 117.98 119.48 1r0i s PHE 49 Ca 0.37 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.26 1r0i s PHE 49 Cb 0.22 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 1r0i s PHE 49 CO 0.31 0.33 -0.06 -1.83 0.70 0.00 0.00 175.22 174.67 1r0i s GLU 50 N -3.12 0.42 0.31 0.44 -1.05 -0.37 -4.93 118.70 110.41 1r0i s GLU 50 Ca 0.42 -0.63 -0.29 0.00 -0.15 0.00 0.00 54.97 54.32 1r0i s GLU 50 Cb -0.11 -0.15 -0.11 0.00 -0.44 0.00 0.00 34.13 33.32 1r0i s GLU 50 CO 0.27 0.02 1.46 -2.00 0.95 0.00 0.00 175.26 175.96 1r0i s GLU 51 N -1.34 4.21 -0.36 -4.83 2.12 -1.26 -0.95 118.70 116.28 1r0i s GLU 51 Ca -0.11 2.42 -0.20 0.00 0.36 0.00 0.00 54.97 57.45 1r0i s GLU 51 Cb -0.09 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1r0i s GLU 51 CO -0.00 -0.45 0.63 0.08 -0.54 0.00 0.00 175.26 174.97 1r0i s VAL 52 N -0.55 4.89 -2.54 3.70 1.01 -0.17 -4.85 120.40 121.89 1r0i s VAL 52 Ca 0.56 0.53 0.28 0.00 0.00 0.00 0.00 61.98 63.34 1r0i s VAL 52 Cb -0.44 -4.08 0.52 0.00 0.00 0.00 0.00 36.38 32.38 1r0i s VAL 52 CO 0.52 -0.33 1.71 -0.62 0.00 0.00 0.00 175.10 176.37