#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b13 s LYS 2 N 0.00 3.60 0.32 0.03 1.02 -1.26 -4.92 119.74 118.53 1b13 s LYS 2 Ca 0.00 -0.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.62 1b13 s LYS 2 Cb 0.00 -2.78 -0.10 0.00 -0.52 0.00 0.00 37.83 34.43 1b13 s LYS 2 CO 0.00 0.37 0.91 0.15 -0.92 0.00 0.00 175.35 175.86 1b13 s LYS 3 N -3.10 4.50 -0.02 1.68 1.02 -1.26 -4.62 119.74 117.94 1b13 s LYS 3 Ca 0.41 1.23 0.08 0.00 0.02 0.00 0.00 55.97 57.71 1b13 s LYS 3 Cb -0.11 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1b13 s LYS 3 CO 0.27 0.27 -0.25 0.71 -0.92 0.00 0.00 175.35 175.43 1b13 s TYR 4 N -1.65 2.21 -0.05 3.18 1.51 -0.84 -0.39 117.35 121.33 1b13 s TYR 4 Ca 0.50 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1b13 s TYR 4 Cb -0.17 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1b13 s TYR 4 CO 0.22 -0.03 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.39 1b13 s THR 5 N -0.59 2.84 -0.16 -0.71 -1.32 -0.14 0.14 115.64 115.70 1b13 s THR 5 Ca 0.10 -0.80 -0.29 0.00 -1.21 0.00 0.00 61.69 59.48 1b13 s THR 5 Cb -0.10 -2.10 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1b13 s THR 5 CO -0.01 0.58 1.61 0.00 -2.21 0.00 0.00 174.62 174.60 1b13 n THR 7 N 6.02 0.11 -0.04 0.00 -2.24 -0.20 -0.58 114.28 117.35 1b13 n THR 7 Ca 0.18 0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.77 1b13 n THR 7 Cb 0.44 -0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 1b13 n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1b13 h VAL 8 N 0.00 0.78 0.00 2.28 2.07 -1.91 -3.43 116.25 116.05 1b13 h VAL 8 Ca 0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1b13 h VAL 8 Cb 0.20 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1b13 h VAL 8 CO 0.00 0.62 -0.16 0.00 0.02 0.00 0.00 177.57 178.05 1b13 n ALA 10 N -1.08 0.00 -1.61 0.00 0.00 0.25 -5.04 120.51 113.03 1b13 n ALA 10 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1b13 n ALA 10 Cb 0.01 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 1b13 n ALA 10 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1b13 n TYR 11 N -2.43 1.00 -4.57 0.00 9.36 -1.26 -4.66 117.16 114.62 1b13 n TYR 11 Ca 0.00 0.50 -0.33 0.00 3.32 0.00 0.00 57.90 61.39 1b13 n TYR 11 Cb 0.00 -2.19 -0.15 0.00 -0.63 0.00 0.00 39.34 36.37 1b13 n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1b13 s ILE 12 N -1.38 2.71 -0.28 2.97 1.01 -1.26 -0.48 121.20 124.48 1b13 s ILE 12 Ca 0.68 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 1b13 s ILE 12 Cb -0.49 -2.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1b13 s ILE 12 CO 0.53 0.52 0.79 -0.47 0.00 0.00 0.00 174.94 176.30 1b13 s TYR 13 N 0.76 3.24 -0.26 3.97 5.04 0.12 -4.97 117.35 125.25 1b13 s TYR 13 Ca -0.06 0.91 -0.06 0.00 -2.44 0.00 0.00 57.07 55.41 1b13 s TYR 13 Cb -0.15 -3.14 -0.01 0.00 0.35 0.00 0.00 41.96 39.01 1b13 s TYR 13 CO 0.01 -0.50 0.04 1.21 -1.34 0.00 0.00 175.55 174.97 1b13 s ASN 14 N 1.53 4.90 0.54 4.32 3.84 -1.26 -1.98 114.94 126.83 1b13 s ASN 14 Ca 0.32 -0.46 0.24 0.00 0.21 0.00 0.00 52.86 53.18 1b13 s ASN 14 Cb -0.15 -1.85 1.53 0.00 -0.55 0.00 0.00 41.25 40.23 1b13 s ASN 14 CO 0.11 -0.09 2.16 1.55 -2.79 0.00 0.00 177.10 178.03 1b13 h PRO 15 N 8.20 0.00 -0.56 0.43 0.13 -1.82 -0.06 132.00 138.31 1b13 h PRO 15 Ca -0.36 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1b13 h PRO 15 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1b13 h PRO 15 CO 0.59 0.05 0.21 0.93 -0.23 0.00 0.00 178.00 179.55 1b13 h GLU 16 N 0.00 0.82 0.00 0.86 5.08 -1.94 0.47 114.58 119.86 1b13 h GLU 16 Ca -0.00 -0.13 -0.28 0.00 -1.00 0.00 0.00 59.36 57.95 1b13 h GLU 16 Cb 0.11 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1b13 h GLU 16 CO 0.01 0.68 -1.89 -0.25 -1.00 0.00 0.00 179.01 176.56 1b13 n ASP 17 N -4.32 0.54 0.00 1.42 8.00 -0.43 -4.34 116.55 117.42 1b13 n ASP 17 Ca 0.05 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1b13 n ASP 17 Cb 0.17 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1b13 n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b13 n GLY 18 N 1.58 0.62 2.33 0.44 0.00 -0.17 -4.13 105.19 105.86 1b13 n GLY 18 Ca -0.20 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1b13 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b13 n ASP 19 N -2.31 -0.34 0.15 1.61 2.03 0.42 -4.71 116.55 113.39 1b13 n ASP 19 Ca 0.00 -3.01 0.08 0.00 0.52 0.00 0.00 54.79 52.38 1b13 n ASP 19 Cb 0.00 0.03 0.57 0.00 -0.72 0.00 0.00 41.12 41.00 1b13 n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1b13 h PRO 20 N 3.54 0.19 0.00 -0.67 0.13 -1.65 -1.56 132.00 131.98 1b13 h PRO 20 Ca 0.03 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1b13 h PRO 20 Cb 0.96 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1b13 h PRO 20 CO 0.42 0.12 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.80 1b13 h ASP 21 N 0.19 0.00 -0.38 1.44 3.32 -1.96 -1.51 116.42 117.53 1b13 h ASP 21 Ca 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1b13 h ASP 21 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1b13 h ASP 21 CO -0.01 0.07 0.02 0.59 -1.72 0.00 0.00 179.24 178.19 1b13 n ASN 22 N -3.81 4.30 0.00 6.45 3.02 -0.67 -4.96 115.26 119.59 1b13 n ASN 22 Ca -0.02 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1b13 n ASN 22 Cb 0.17 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1b13 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b13 n GLY 23 N -0.27 0.61 3.30 7.41 0.00 -0.57 -5.02 105.19 110.64 1b13 n GLY 23 Ca 0.25 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1b13 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b13 s VAL 24 N -2.00 4.50 0.60 1.61 1.01 -0.70 -4.96 120.40 120.45 1b13 s VAL 24 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 1b13 s VAL 24 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1b13 s VAL 24 CO 0.00 -0.54 1.06 0.20 0.00 0.00 0.00 175.10 175.82 1b13 s ASN 25 N 2.28 5.74 0.26 3.32 -0.87 -1.26 -0.44 114.94 123.98 1b13 s ASN 25 Ca 0.03 1.80 -0.29 0.00 -1.57 0.00 0.00 52.86 52.84 1b13 s ASN 25 Cb -0.24 -2.53 -0.14 0.00 -0.02 0.00 0.00 41.25 38.32 1b13 s ASN 25 CO 0.03 -1.19 1.06 -2.65 -2.57 0.00 0.00 177.10 171.78 1b13 n PRO 26 N -2.12 1.36 -0.29 -0.60 -0.02 -1.26 -2.27 135.00 129.80 1b13 n PRO 26 Ca 0.09 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1b13 n PRO 26 Cb 0.53 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1b13 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b13 n GLY 27 N 1.42 0.70 3.63 -1.23 0.00 0.16 -4.92 105.19 104.96 1b13 n GLY 27 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1b13 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b13 s THR 28 N -2.41 4.92 0.48 2.61 2.01 -0.96 -5.02 115.64 117.27 1b13 s THR 28 Ca 0.00 1.26 -0.23 0.00 0.31 0.00 0.00 61.69 63.03 1b13 s THR 28 Cb 0.00 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 1b13 s THR 28 CO 0.00 -0.03 1.27 -0.62 -0.69 0.00 0.00 174.62 174.54 1b13 s ASP 29 N 1.45 5.87 0.27 3.53 -1.08 -1.26 -4.64 116.67 120.80 1b13 s ASP 29 Ca 0.29 2.55 -0.00 0.00 -0.52 0.00 0.00 52.55 54.87 1b13 s ASP 29 Cb -0.15 -2.62 0.53 0.00 -1.46 0.00 0.00 42.92 39.22 1b13 s ASP 29 CO 0.09 -1.14 1.79 0.15 0.52 0.00 0.00 175.17 176.57 1b13 h PHE 30 N 1.96 0.92 -0.46 -5.34 3.57 -1.96 -0.88 116.94 114.75 1b13 h PHE 30 Ca -0.50 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1b13 h PHE 30 Cb 1.27 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1b13 h PHE 30 CO 0.51 0.30 0.31 1.57 -2.23 0.00 0.00 178.31 178.76 1b13 h LYS 31 N 0.77 0.39 -0.00 1.11 2.10 -1.99 -2.20 116.57 116.75 1b13 h LYS 31 Ca 0.47 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1b13 h LYS 31 Cb 0.58 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1b13 h LYS 31 CO -0.31 0.26 -0.18 -0.25 -2.00 0.00 0.00 179.45 176.96 1b13 n ASP 32 N -4.48 0.42 -4.75 7.07 8.00 -0.35 -4.84 116.55 117.63 1b13 n ASP 32 Ca 0.06 -0.31 -0.41 0.00 0.71 0.00 0.00 54.79 54.83 1b13 n ASP 32 Cb 0.23 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1b13 n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b13 s ILE 33 N -2.70 2.40 0.24 0.53 1.01 -0.83 -4.89 121.20 116.96 1b13 s ILE 33 Ca 0.22 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 1b13 s ILE 33 Cb 0.19 -3.22 -0.15 0.00 0.01 0.00 0.00 42.46 39.30 1b13 s ILE 33 CO 0.54 0.05 1.08 -2.65 0.00 0.00 0.00 174.94 173.97 1b13 n PRO 34 N 2.24 1.29 0.00 2.79 -0.02 -1.26 -4.82 135.00 135.23 1b13 n PRO 34 Ca 0.07 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 1b13 n PRO 34 Cb 0.39 -1.89 0.53 0.00 -0.02 0.00 0.00 33.50 32.52 1b13 n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b13 n ASP 35 N 1.61 0.00 -1.08 2.55 8.00 -1.26 -1.41 116.55 124.95 1b13 n ASP 35 Ca 0.12 -0.61 0.11 0.00 0.71 0.00 0.00 54.79 55.11 1b13 n ASP 35 Cb 0.29 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.61 1b13 n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1b13 n ASP 36 N -0.98 3.40 -4.77 -2.24 5.75 -1.26 -4.78 116.55 111.67 1b13 n ASP 36 Ca 0.13 -1.96 -0.37 0.00 -0.01 0.00 0.00 54.79 52.59 1b13 n ASP 36 Cb 0.06 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 1b13 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1b13 s TRP 37 N -1.29 3.01 0.22 2.11 -0.00 -0.50 -5.02 118.94 117.46 1b13 s TRP 37 Ca 0.37 1.56 0.09 0.00 -0.00 0.00 0.00 56.10 58.12 1b13 s TRP 37 Cb 0.21 -3.33 -0.05 0.00 -0.00 0.00 0.00 33.47 30.30 1b13 s TRP 37 CO 0.29 -1.28 -0.17 0.14 -0.00 0.00 0.00 176.95 175.93 1b13 s VAL 38 N -1.53 1.94 0.24 5.86 -7.23 -1.26 -3.83 120.40 114.60 1b13 s VAL 38 Ca 0.60 -2.21 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 1b13 s VAL 38 Cb -0.28 -2.07 -0.13 0.00 0.56 0.00 0.00 36.38 34.46 1b13 s VAL 38 CO 0.34 -0.49 1.50 0.00 -0.31 0.00 0.00 175.10 176.15 1b13 h PRO 40 N 4.75 0.00 0.07 0.00 0.13 -1.97 -0.17 132.00 134.81 1b13 h PRO 40 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 1b13 h PRO 40 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1b13 h PRO 40 CO 0.80 0.26 -1.62 -0.07 -0.23 0.00 0.00 178.00 177.14 1b13 h LEU 41 N 0.00 0.23 -0.42 1.56 3.38 -1.99 -3.43 115.31 114.64 1b13 h LEU 41 Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1b13 h LEU 41 Cb 0.66 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1b13 h LEU 41 CO 0.03 1.68 -0.12 0.00 0.09 0.00 0.00 178.44 180.12 1b13 n GLY 43 N 0.79 0.63 3.88 0.00 0.00 -0.08 -4.97 105.19 105.45 1b13 n GLY 43 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1b13 n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b13 s VAL 44 N -2.58 4.36 0.97 1.61 -7.23 -1.26 -4.55 120.40 111.72 1b13 s VAL 44 Ca 0.00 0.60 -0.14 0.00 -1.81 0.00 0.00 61.98 60.62 1b13 s VAL 44 Cb 0.00 -3.74 0.18 0.00 0.56 0.00 0.00 36.38 33.38 1b13 s VAL 44 CO 0.00 -0.92 1.18 -0.83 -0.31 0.00 0.00 175.10 174.23 1b13 s GLY 45 N -4.22 1.63 0.59 2.32 0.00 -1.26 -0.34 107.32 106.05 1b13 s GLY 45 Ca 0.54 -0.79 0.31 0.00 0.00 0.00 0.00 44.72 44.79 1b13 s GLY 45 CO 0.51 -0.12 2.25 0.50 0.00 0.00 0.00 173.10 176.25 1b13 h LYS 46 N -1.70 0.00 0.00 2.90 1.57 -1.86 -2.55 116.57 114.92 1b13 h LYS 46 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1b13 h LYS 46 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1b13 h LYS 46 CO 0.51 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 179.00 1b13 n ASP 47 N -3.74 0.00 -1.22 0.86 5.75 -1.26 -1.65 116.55 115.29 1b13 n ASP 47 Ca -0.03 0.04 0.12 0.00 -0.01 0.00 0.00 54.79 54.91 1b13 n ASP 47 Cb 0.10 -0.29 0.27 0.00 -1.03 0.00 0.00 41.12 40.17 1b13 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b13 n GLN 48 N -1.29 2.56 -3.78 0.11 1.13 -0.96 -4.95 117.38 110.20 1b13 n GLN 48 Ca 0.08 -2.39 -0.29 0.00 -1.94 0.00 0.00 57.00 52.47 1b13 n GLN 48 Cb 0.14 -1.53 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 1b13 n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1b13 s PHE 49 N -1.29 3.49 0.02 1.08 0.40 -0.66 -1.03 117.98 119.99 1b13 s PHE 49 Ca 0.43 0.32 0.01 0.00 -0.60 0.00 0.00 56.93 57.10 1b13 s PHE 49 Cb 0.24 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1b13 s PHE 49 CO 0.32 0.45 -0.06 -1.21 0.70 0.00 0.00 175.22 175.43 1b13 s GLU 50 N -3.04 0.41 0.32 0.44 2.02 -0.59 -4.92 118.70 113.34 1b13 s GLU 50 Ca 0.38 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 1b13 s GLU 50 Cb -0.12 -0.23 -0.12 0.00 0.10 0.00 0.00 34.13 33.76 1b13 s GLU 50 CO 0.28 0.05 1.47 -1.91 0.02 0.00 0.00 175.26 175.16 1b13 n GLU 51 N 2.05 2.45 -2.92 1.61 2.13 -1.26 -0.97 120.64 123.73 1b13 n GLU 51 Ca -0.19 0.87 -0.44 0.00 0.66 0.00 0.00 57.16 58.06 1b13 n GLU 51 Cb 0.56 -2.57 -0.03 0.00 0.27 0.00 0.00 31.44 29.67 1b13 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1b13 s VAL 52 N -0.54 4.68 0.06 6.31 1.01 0.48 -4.83 120.40 127.56 1b13 s VAL 52 Ca 0.60 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 1b13 s VAL 52 Cb -0.53 -4.77 -0.06 0.00 0.00 0.00 0.00 36.38 31.02 1b13 s VAL 52 CO 0.56 -1.50 0.77 -0.70 0.00 0.00 0.00 175.10 174.23 1b13 s GLU 53 N 2.86 4.51 0.00 2.72 2.56 -1.26 -4.47 118.70 125.61 1b13 s GLU 53 Ca 0.31 1.08 0.00 0.00 0.00 0.00 0.00 54.97 56.37 1b13 s GLU 53 Cb -0.06 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.71 1b13 s GLU 53 CO -0.07 0.30 0.41 -0.85 -0.56 0.00 0.00 175.26 174.49