#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0j s LYS 2 N 0.00 4.01 0.59 0.03 -0.14 -1.26 -4.88 119.74 118.08 1r0j s LYS 2 Ca 0.00 0.61 -0.16 0.00 -1.36 0.00 0.00 55.97 55.06 1r0j s LYS 2 Cb 0.00 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1r0j s LYS 2 CO 0.00 0.26 1.06 0.15 -0.76 0.00 0.00 175.35 176.06 1r0j s LYS 3 N -2.66 3.34 0.02 1.68 1.02 -1.26 -4.51 119.74 117.37 1r0j s LYS 3 Ca 0.49 1.24 0.04 0.00 0.02 0.00 0.00 55.97 57.75 1r0j s LYS 3 Cb -0.12 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1r0j s LYS 3 CO 0.19 -0.80 -0.11 0.71 -0.92 0.00 0.00 175.35 174.42 1r0j s TYR 4 N -2.39 1.01 -0.08 3.18 1.51 -0.81 -1.94 117.35 117.83 1r0j s TYR 4 Ca 0.64 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1r0j s TYR 4 Cb -0.16 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1r0j s TYR 4 CO 0.35 -0.00 -0.23 0.99 -1.11 0.00 0.00 175.55 175.55 1r0j s THR 5 N -0.59 2.17 -0.27 -0.71 2.01 -0.77 0.45 115.64 117.92 1r0j s THR 5 Ca 0.02 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 1r0j s THR 5 Cb -0.06 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1r0j s THR 5 CO 0.00 0.56 1.87 0.00 -0.69 0.00 0.00 174.62 176.36 1r0j n THR 7 N 7.26 0.00 -0.06 0.00 -2.24 -0.95 0.65 114.28 118.94 1r0j n THR 7 Ca 0.24 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.82 1r0j n THR 7 Cb 0.46 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.26 1r0j n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1r0j n VAL 8 N -0.75 1.64 0.00 2.28 0.31 -1.26 -4.79 118.33 115.76 1r0j n VAL 8 Ca 0.11 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1r0j n VAL 8 Cb 0.05 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1r0j n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r0j n GLY 10 N 1.41 0.39 3.41 0.00 0.00 0.21 -5.03 105.19 105.58 1r0j n GLY 10 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1r0j n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r0j n TYR 11 N -2.00 -0.34 -3.85 1.61 9.36 -1.25 -4.55 117.16 116.13 1r0j n TYR 11 Ca 0.00 0.97 -0.36 0.00 3.32 0.00 0.00 57.90 61.83 1r0j n TYR 11 Cb 0.00 -1.98 -0.13 0.00 -0.63 0.00 0.00 39.34 36.60 1r0j n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r0j s ILE 12 N -0.91 3.37 -0.15 2.97 -1.09 -1.26 -0.58 121.20 123.55 1r0j s ILE 12 Ca 0.66 -1.05 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 1r0j s ILE 12 Cb -0.96 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1r0j s ILE 12 CO 0.56 0.02 1.21 -0.47 -1.23 0.00 0.00 174.94 175.03 1r0j s TYR 13 N 1.37 3.00 -0.26 3.97 5.04 0.17 -4.95 117.35 125.69 1r0j s TYR 13 Ca -0.01 1.13 -0.04 0.00 -2.44 0.00 0.00 57.07 55.71 1r0j s TYR 13 Cb -0.18 -3.45 0.02 0.00 0.35 0.00 0.00 41.96 38.70 1r0j s TYR 13 CO -0.00 -1.41 -0.01 1.21 -1.34 0.00 0.00 175.55 173.99 1r0j s ASN 14 N 1.74 4.61 0.20 4.32 3.84 -1.26 -1.92 114.94 126.47 1r0j s ASN 14 Ca 0.53 -0.80 -0.11 0.00 0.21 0.00 0.00 52.86 52.70 1r0j s ASN 14 Cb -0.21 -1.74 0.26 0.00 -0.55 0.00 0.00 41.25 39.00 1r0j s ASN 14 CO 0.15 -0.15 1.70 -0.65 -2.79 0.00 0.00 177.10 175.37 1r0j h PRO 15 N 8.09 0.22 -0.00 0.43 0.11 -1.80 0.20 132.00 139.25 1r0j h PRO 15 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1r0j h PRO 15 Cb 1.12 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1r0j h PRO 15 CO 0.58 0.15 0.05 0.93 -0.21 0.00 0.00 178.00 179.50 1r0j h GLU 16 N 0.23 0.00 0.00 1.05 5.08 -1.94 -1.74 114.58 117.26 1r0j h GLU 16 Ca 0.29 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.33 1r0j h GLU 16 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1r0j h GLU 16 CO -0.40 0.00 -2.21 -0.25 -1.00 0.00 0.00 179.01 175.15 1r0j n ASP 17 N -3.11 1.23 0.00 1.42 9.92 -0.65 -4.37 116.55 120.99 1r0j n ASP 17 Ca -0.03 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1r0j n ASP 17 Cb 0.12 0.51 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1r0j n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r0j n GLY 18 N 2.10 0.44 2.25 0.44 0.00 -0.03 -4.04 105.19 106.35 1r0j n GLY 18 Ca -0.32 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 1r0j n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r0j n ASP 19 N -2.32 1.09 -0.35 1.61 2.03 0.93 -4.75 116.55 114.80 1r0j n ASP 19 Ca 0.00 -3.03 0.27 0.00 0.52 0.00 0.00 54.79 52.55 1r0j n ASP 19 Cb 0.00 -0.62 0.57 0.00 -0.72 0.00 0.00 41.12 40.35 1r0j n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r0j h PRO 20 N 3.13 0.27 0.00 -0.67 0.13 -1.30 -1.29 132.00 132.28 1r0j h PRO 20 Ca 0.10 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1r0j h PRO 20 Cb 0.92 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1r0j h PRO 20 CO 0.53 0.18 -0.15 -0.44 -0.23 0.00 0.00 178.00 177.89 1r0j h ASP 21 N 0.28 0.00 -0.45 1.44 3.32 -1.95 -1.44 116.42 117.63 1r0j h ASP 21 Ca 0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.70 1r0j h ASP 21 Cb 1.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1r0j h ASP 21 CO -0.30 0.15 0.00 0.59 -1.72 0.00 0.00 179.24 177.96 1r0j n ASN 22 N -3.56 4.16 0.00 6.45 3.02 -0.53 -4.97 115.26 119.83 1r0j n ASN 22 Ca -0.01 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.96 1r0j n ASN 22 Cb 0.29 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1r0j n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r0j n GLY 23 N 0.40 0.77 3.33 7.41 0.00 -0.54 -5.03 105.19 111.52 1r0j n GLY 23 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1r0j n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0j s VAL 24 N -2.23 4.98 0.68 1.61 1.01 -0.94 -4.93 120.40 120.58 1r0j s VAL 24 Ca 0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 1r0j s VAL 24 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1r0j s VAL 24 CO 0.00 -0.69 1.08 0.20 0.00 0.00 0.00 175.10 175.69 1r0j s ASN 25 N 2.89 5.14 0.45 3.32 0.01 -1.26 -0.05 114.94 125.44 1r0j s ASN 25 Ca 0.04 1.84 -0.23 0.00 -0.71 0.00 0.00 52.86 53.80 1r0j s ASN 25 Cb -0.26 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 38.77 1r0j s ASN 25 CO 0.04 -1.60 0.92 -2.65 -1.51 0.00 0.00 177.10 172.30 1r0j n PRO 26 N -2.76 1.15 -0.28 -0.60 -0.02 -1.26 -3.01 135.00 128.22 1r0j n PRO 26 Ca 0.09 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1r0j n PRO 26 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1r0j n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r0j n GLY 27 N 1.31 0.66 3.66 -1.23 0.00 -0.73 -4.93 105.19 103.93 1r0j n GLY 27 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1r0j n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0j s THR 28 N -2.50 5.11 0.33 2.61 2.01 -1.16 -4.98 115.64 117.05 1r0j s THR 28 Ca 0.00 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 1r0j s THR 28 Cb 0.00 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.57 1r0j s THR 28 CO 0.00 0.17 1.45 -0.62 -0.69 0.00 0.00 174.62 174.93 1r0j s ASP 29 N 1.20 6.51 0.28 3.53 2.15 -1.26 -4.55 116.67 124.53 1r0j s ASP 29 Ca 0.23 2.87 0.02 0.00 0.43 0.00 0.00 52.55 56.11 1r0j s ASP 29 Cb -0.15 -2.65 0.61 0.00 -0.30 0.00 0.00 42.92 40.43 1r0j s ASP 29 CO 0.09 -0.76 1.80 0.15 -0.17 0.00 0.00 175.17 176.28 1r0j h PHE 30 N 3.76 1.04 0.00 -5.34 3.57 -1.97 -1.67 116.94 116.33 1r0j h PHE 30 Ca -0.49 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 1r0j h PHE 30 Cb 1.23 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1r0j h PHE 30 CO 0.56 0.32 -0.15 1.57 -2.23 0.00 0.00 178.31 178.38 1r0j h LYS 31 N 0.83 0.00 -0.00 1.11 5.09 -1.99 -1.98 116.57 119.63 1r0j h LYS 31 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.26 1r0j h LYS 31 Cb 0.67 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.00 1r0j h LYS 31 CO -0.33 0.15 -0.42 -0.25 -2.09 0.00 0.00 179.45 176.51 1r0j n ASP 32 N -3.93 0.84 -4.74 7.07 8.00 -0.65 -4.87 116.55 118.28 1r0j n ASP 32 Ca -0.02 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 1r0j n ASP 32 Cb 0.24 0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1r0j n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r0j s ILE 33 N -2.75 2.12 0.15 0.53 1.01 -0.74 -4.90 121.20 116.61 1r0j s ILE 33 Ca 0.17 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.60 1r0j s ILE 33 Cb 0.18 -3.06 -0.17 0.00 0.01 0.00 0.00 42.46 39.42 1r0j s ILE 33 CO 0.63 0.01 0.74 -2.65 0.00 0.00 0.00 174.94 173.66 1r0j n PRO 34 N 3.06 0.17 0.00 2.79 -0.02 -1.26 -4.83 135.00 134.91 1r0j n PRO 34 Ca 0.12 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1r0j n PRO 34 Cb 0.37 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1r0j n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r0j n ASP 35 N 1.83 0.00 -0.74 2.55 8.00 -1.26 -2.31 116.55 124.62 1r0j n ASP 35 Ca 0.18 -1.78 0.08 0.00 0.71 0.00 0.00 54.79 53.97 1r0j n ASP 35 Cb 0.21 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.43 1r0j n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1r0j n ASP 36 N -0.50 2.67 -4.76 -2.24 5.75 -1.26 -4.89 116.55 111.32 1r0j n ASP 36 Ca 0.00 -1.78 -0.41 0.00 -0.01 0.00 0.00 54.79 52.59 1r0j n ASP 36 Cb 0.00 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 1r0j n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1r0j s TRP 37 N -1.26 3.22 -0.05 2.11 -0.00 -0.98 -5.05 118.94 116.94 1r0j s TRP 37 Ca 0.24 1.44 0.07 0.00 -0.00 0.00 0.00 56.10 57.84 1r0j s TRP 37 Cb 0.15 -3.57 -0.01 0.00 -0.00 0.00 0.00 33.47 30.03 1r0j s TRP 37 CO 0.21 -1.56 -0.25 0.14 -0.00 0.00 0.00 176.95 175.49 1r0j s VAL 38 N -0.87 2.04 -0.17 5.86 -7.23 -1.26 -3.82 120.40 114.96 1r0j s VAL 38 Ca 0.50 -1.07 -0.23 0.00 -1.81 0.00 0.00 61.98 59.37 1r0j s VAL 38 Cb -0.37 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 34.75 1r0j s VAL 38 CO 0.47 0.57 0.72 0.00 -0.31 0.00 0.00 175.10 176.55 1r0j h PRO 40 N 2.19 1.08 0.01 0.00 0.13 -1.97 -0.40 132.00 133.04 1r0j h PRO 40 Ca -0.23 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 1r0j h PRO 40 Cb 0.70 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1r0j h PRO 40 CO 0.44 0.72 -0.22 1.25 -0.23 0.00 0.00 178.00 179.95 1r0j h LEU 41 N 1.12 0.18 0.00 1.56 7.12 -2.00 -3.41 115.31 119.88 1r0j h LEU 41 Ca 0.32 -0.83 0.00 0.00 0.13 0.00 0.00 57.88 57.50 1r0j h LEU 41 Cb -0.08 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 1r0j h LEU 41 CO -0.08 0.98 -1.21 0.00 -0.13 0.00 0.00 178.44 178.00 1r0j n GLY 43 N 1.85 0.74 3.91 0.00 0.00 -0.16 -5.00 105.19 106.53 1r0j n GLY 43 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1r0j n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r0j s VAL 44 N -2.38 2.01 0.46 1.61 -7.23 -1.26 -4.60 120.40 109.01 1r0j s VAL 44 Ca 0.00 -0.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.21 1r0j s VAL 44 Cb 0.00 -3.00 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1r0j s VAL 44 CO 0.00 0.00 0.64 -0.83 -0.31 0.00 0.00 175.10 174.60 1r0j s GLY 45 N -4.64 1.83 0.35 2.32 0.00 -1.26 -0.88 107.32 105.04 1r0j s GLY 45 Ca 0.64 -1.47 0.14 0.00 0.00 0.00 0.00 44.72 44.04 1r0j s GLY 45 CO 0.50 -1.26 1.73 0.50 0.00 0.00 0.00 173.10 174.56 1r0j h LYS 46 N 0.45 0.44 0.00 2.90 1.57 -1.91 -1.21 116.57 118.81 1r0j h LYS 46 Ca -0.42 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1r0j h LYS 46 Cb 1.28 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1r0j h LYS 46 CO 0.50 0.29 0.14 0.38 -0.57 0.00 0.00 179.45 180.19 1r0j h ASP 47 N 0.46 0.00 -0.21 0.86 2.03 -1.94 0.33 116.42 117.95 1r0j h ASP 47 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 1r0j h ASP 47 Cb 1.46 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.96 1r0j h ASP 47 CO -0.43 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.78 1r0j n GLN 48 N -2.46 1.97 -3.58 4.15 1.13 -0.46 -4.94 117.38 113.19 1r0j n GLN 48 Ca -0.02 -1.45 -0.35 0.00 -1.94 0.00 0.00 57.00 53.24 1r0j n GLN 48 Cb 0.18 -1.43 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 1r0j n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1r0j s PHE 49 N -1.73 3.61 -0.04 1.08 0.40 0.11 -2.25 117.98 119.17 1r0j s PHE 49 Ca 0.34 0.80 0.04 0.00 -0.60 0.00 0.00 56.93 57.52 1r0j s PHE 49 Cb 0.19 -2.16 -0.00 0.00 0.51 0.00 0.00 43.02 41.55 1r0j s PHE 49 CO 0.28 0.55 -0.17 -1.83 0.70 0.00 0.00 175.22 174.76 1r0j s GLU 50 N -1.72 1.67 0.26 0.44 -1.05 -0.63 -4.94 118.70 112.73 1r0j s GLU 50 Ca 0.30 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 54.23 1r0j s GLU 50 Cb -0.14 -1.48 -0.14 0.00 -0.44 0.00 0.00 34.13 31.92 1r0j s GLU 50 CO 0.17 0.26 1.09 -1.91 0.95 0.00 0.00 175.26 175.82 1r0j n GLU 51 N 3.06 1.38 -3.36 -4.83 2.13 -1.26 -1.85 120.64 115.91 1r0j n GLU 51 Ca -0.17 0.49 -0.44 0.00 0.66 0.00 0.00 57.16 57.70 1r0j n GLU 51 Cb 0.53 -1.92 -0.08 0.00 0.27 0.00 0.00 31.44 30.24 1r0j n GLU 51 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1r0j s VAL 52 N -0.75 5.16 -2.97 6.31 1.01 -0.82 -4.87 120.40 123.47 1r0j s VAL 52 Ca 0.63 -0.72 0.24 0.00 0.00 0.00 0.00 61.98 62.13 1r0j s VAL 52 Cb -0.73 -4.08 0.21 0.00 0.00 0.00 0.00 36.38 31.78 1r0j s VAL 52 CO 0.57 -0.51 1.29 -0.62 0.00 0.00 0.00 175.10 175.83