#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0h s LYS 2 N 0.00 3.80 0.45 0.03 -0.14 -1.26 -4.91 119.74 117.70 1r0h s LYS 2 Ca 0.00 0.23 -0.21 0.00 -1.36 0.00 0.00 55.97 54.62 1r0h s LYS 2 Cb 0.00 -2.90 -0.10 0.00 -1.68 0.00 0.00 37.83 33.16 1r0h s LYS 2 CO 0.00 0.48 1.00 0.15 -0.76 0.00 0.00 175.35 176.22 1r0h s LYS 3 N -2.19 4.05 0.01 1.68 1.02 -1.26 -4.59 119.74 118.46 1r0h s LYS 3 Ca 0.38 1.28 0.06 0.00 0.02 0.00 0.00 55.97 57.71 1r0h s LYS 3 Cb -0.13 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1r0h s LYS 3 CO 0.20 -0.20 -0.18 0.71 -0.92 0.00 0.00 175.35 174.96 1r0h s TYR 4 N -2.01 1.56 0.01 3.18 1.51 -0.84 -1.03 117.35 119.73 1r0h s TYR 4 Ca 0.63 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 56.43 1r0h s TYR 4 Cb -0.14 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1r0h s TYR 4 CO 0.18 0.02 -0.18 -0.08 -1.11 0.00 0.00 175.55 174.39 1r0h s THR 5 N -0.60 2.81 -0.24 -0.71 -1.32 -0.23 0.05 115.64 115.39 1r0h s THR 5 Ca 0.06 -1.05 -0.29 0.00 -1.21 0.00 0.00 61.69 59.20 1r0h s THR 5 Cb -0.07 -2.14 -0.01 0.00 -1.51 0.00 0.00 72.50 68.77 1r0h s THR 5 CO 0.00 0.43 1.30 0.00 -2.21 0.00 0.00 174.62 174.15 1r0h n THR 7 N 5.90 0.06 -0.02 0.00 -2.24 -0.22 -0.74 114.28 117.02 1r0h n THR 7 Ca 0.15 0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.74 1r0h n THR 7 Cb 0.46 -0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 68.02 1r0h n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1r0h h VAL 8 N 0.00 1.17 0.00 2.28 2.07 -1.91 -3.43 116.25 116.42 1r0h h VAL 8 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1r0h h VAL 8 Cb 0.38 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1r0h h VAL 8 CO 0.00 0.63 -0.36 0.00 0.02 0.00 0.00 177.57 177.86 1r0h n GLY 10 N 1.46 0.58 3.56 0.00 0.00 0.08 -5.05 105.19 105.83 1r0h n GLY 10 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 1r0h n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r0h n TYR 11 N -2.00 1.07 -3.92 1.61 9.36 -1.26 -4.63 117.16 117.39 1r0h n TYR 11 Ca 0.00 0.73 -0.35 0.00 3.32 0.00 0.00 57.90 61.60 1r0h n TYR 11 Cb 0.00 -2.23 -0.13 0.00 -0.63 0.00 0.00 39.34 36.35 1r0h n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r0h s ILE 12 N -0.57 3.78 -0.29 2.97 -1.09 -1.26 -0.31 121.20 124.42 1r0h s ILE 12 Ca 0.68 -0.36 -0.27 0.00 -2.23 0.00 0.00 60.65 58.47 1r0h s ILE 12 Cb -0.82 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1r0h s ILE 12 CO 0.55 0.40 0.96 -0.47 -1.23 0.00 0.00 174.94 175.15 1r0h s TYR 13 N 1.38 3.23 -0.30 3.97 5.04 0.11 -4.97 117.35 125.81 1r0h s TYR 13 Ca 0.05 1.14 -0.07 0.00 -2.44 0.00 0.00 57.07 55.75 1r0h s TYR 13 Cb -0.15 -3.39 0.01 0.00 0.35 0.00 0.00 41.96 38.79 1r0h s TYR 13 CO 0.00 -0.60 0.08 1.21 -1.34 0.00 0.00 175.55 174.90 1r0h s ASN 14 N 1.50 5.12 0.53 4.32 3.84 -1.26 -2.00 114.94 126.99 1r0h s ASN 14 Ca 0.40 -0.75 0.22 0.00 0.21 0.00 0.00 52.86 52.94 1r0h s ASN 14 Cb -0.14 -1.87 1.42 0.00 -0.55 0.00 0.00 41.25 40.11 1r0h s ASN 14 CO 0.11 -0.20 2.14 1.55 -2.79 0.00 0.00 177.10 177.91 1r0h h PRO 15 N 8.23 0.00 -0.44 0.43 0.13 -1.82 -0.41 132.00 138.12 1r0h h PRO 15 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1r0h h PRO 15 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1r0h h PRO 15 CO 0.60 0.06 0.27 0.93 -0.23 0.00 0.00 178.00 179.63 1r0h h GLU 16 N 0.00 0.59 0.00 0.86 5.08 -1.94 0.34 114.58 119.51 1r0h h GLU 16 Ca -0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1r0h h GLU 16 Cb 0.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1r0h h GLU 16 CO 0.01 0.41 -1.58 -0.25 -1.00 0.00 0.00 179.01 176.60 1r0h n ASP 17 N -4.45 0.70 0.00 1.42 8.00 -0.27 -4.14 116.55 117.81 1r0h n ASP 17 Ca 0.04 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1r0h n ASP 17 Cb 0.08 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1r0h n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r0h n GLY 18 N 1.43 0.95 2.20 0.44 0.00 -0.54 -4.21 105.19 105.46 1r0h n GLY 18 Ca -0.12 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 1r0h n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r0h n ASP 19 N -3.10 0.22 0.08 1.61 2.03 0.11 -4.72 116.55 112.79 1r0h n ASP 19 Ca 0.00 -2.75 0.09 0.00 0.52 0.00 0.00 54.79 52.65 1r0h n ASP 19 Cb 0.00 -0.60 0.55 0.00 -0.72 0.00 0.00 41.12 40.35 1r0h n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r0h h PRO 20 N 3.85 0.24 0.00 -0.67 0.13 -1.60 -1.64 132.00 132.31 1r0h h PRO 20 Ca 0.07 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1r0h h PRO 20 Cb 0.90 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1r0h h PRO 20 CO 0.46 0.16 -0.05 -0.44 -0.23 0.00 0.00 178.00 177.91 1r0h h ASP 21 N 0.25 0.00 -0.28 1.44 3.32 -1.96 -1.14 116.42 118.06 1r0h h ASP 21 Ca 0.13 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1r0h h ASP 21 Cb 0.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1r0h h ASP 21 CO -0.03 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 1r0h n ASN 22 N -3.67 3.67 0.00 6.45 3.02 -0.67 -4.97 115.26 119.08 1r0h n ASN 22 Ca -0.02 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 1r0h n ASN 22 Cb 0.15 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1r0h n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r0h n GLY 23 N -0.62 0.55 3.29 7.41 0.00 -0.43 -5.02 105.19 110.37 1r0h n GLY 23 Ca 0.23 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1r0h n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0h s VAL 24 N -2.00 4.30 0.58 1.61 1.01 -0.89 -4.96 120.40 120.04 1r0h s VAL 24 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 1r0h s VAL 24 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1r0h s VAL 24 CO 0.00 -0.45 1.03 0.20 0.00 0.00 0.00 175.10 175.87 1r0h s ASN 25 N 2.02 6.09 0.44 3.32 -0.87 -1.26 -0.71 114.94 123.96 1r0h s ASN 25 Ca 0.03 1.66 -0.24 0.00 -1.57 0.00 0.00 52.86 52.74 1r0h s ASN 25 Cb -0.22 -2.51 -0.10 0.00 -0.02 0.00 0.00 41.25 38.39 1r0h s ASN 25 CO 0.03 -0.96 0.98 -2.65 -2.57 0.00 0.00 177.10 171.93 1r0h n PRO 26 N -2.08 1.27 -0.83 -0.60 -0.02 -1.26 -2.55 135.00 128.94 1r0h n PRO 26 Ca 0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1r0h n PRO 26 Cb 0.53 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1r0h n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r0h n GLY 27 N 1.22 0.58 3.62 -1.23 0.00 0.12 -4.90 105.19 104.60 1r0h n GLY 27 Ca 0.10 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1r0h n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0h s THR 28 N -2.00 5.00 0.44 2.61 2.01 -1.06 -5.00 115.64 117.65 1r0h s THR 28 Ca 0.00 1.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.83 1r0h s THR 28 Cb 0.00 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 1r0h s THR 28 CO 0.00 0.04 1.35 -0.62 -0.69 0.00 0.00 174.62 174.70 1r0h s ASP 29 N 1.49 6.00 0.27 3.53 2.15 -1.26 -4.62 116.67 124.23 1r0h s ASP 29 Ca 0.25 2.74 -0.00 0.00 0.43 0.00 0.00 52.55 55.97 1r0h s ASP 29 Cb -0.16 -2.64 0.54 0.00 -0.30 0.00 0.00 42.92 40.36 1r0h s ASP 29 CO 0.09 -1.07 1.79 0.15 -0.17 0.00 0.00 175.17 175.95 1r0h h PHE 30 N 2.34 0.91 -0.03 -5.34 3.57 -1.96 -1.11 116.94 115.33 1r0h h PHE 30 Ca -0.50 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.04 1r0h h PHE 30 Cb 1.26 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1r0h h PHE 30 CO 0.51 0.28 0.02 1.57 -2.23 0.00 0.00 178.31 178.47 1r0h h LYS 31 N 0.76 0.00 -0.01 1.11 2.10 -1.99 -2.17 116.57 116.38 1r0h h LYS 31 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1r0h h LYS 31 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1r0h h LYS 31 CO -0.32 0.00 -0.27 -0.25 -2.00 0.00 0.00 179.45 176.61 1r0h n ASP 32 N -4.24 0.97 -4.74 7.07 8.00 -0.43 -4.87 116.55 118.31 1r0h n ASP 32 Ca -0.02 -0.83 -0.41 0.00 0.71 0.00 0.00 54.79 54.23 1r0h n ASP 32 Cb 0.11 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1r0h n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r0h s ILE 33 N -2.54 2.77 0.30 0.53 1.01 -0.82 -4.93 121.20 117.52 1r0h s ILE 33 Ca 0.23 0.64 -0.29 0.00 0.00 0.00 0.00 60.65 61.24 1r0h s ILE 33 Cb 0.19 -3.41 -0.13 0.00 0.01 0.00 0.00 42.46 39.12 1r0h s ILE 33 CO 0.53 0.10 1.14 -2.65 0.00 0.00 0.00 174.94 174.06 1r0h n PRO 34 N 2.48 1.65 0.00 2.79 -0.02 -1.26 -4.83 135.00 135.81 1r0h n PRO 34 Ca 0.07 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 1r0h n PRO 34 Cb 0.41 -2.05 0.55 0.00 -0.02 0.00 0.00 33.50 32.39 1r0h n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r0h n ASP 35 N 1.20 0.00 -1.00 2.55 8.00 -1.26 -1.75 116.55 124.30 1r0h n ASP 35 Ca 0.08 -0.41 0.12 0.00 0.71 0.00 0.00 54.79 55.29 1r0h n ASP 35 Cb 0.33 -0.09 0.15 0.00 -0.02 0.00 0.00 41.12 41.49 1r0h n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1r0h n ASP 36 N -1.09 3.07 -4.77 -2.24 5.75 -1.26 -4.76 116.55 111.26 1r0h n ASP 36 Ca 0.13 -1.98 -0.39 0.00 -0.01 0.00 0.00 54.79 52.54 1r0h n ASP 36 Cb 0.09 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1r0h n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1r0h s TRP 37 N -1.86 2.72 0.20 2.11 -0.00 -0.72 -5.03 118.94 116.36 1r0h s TRP 37 Ca 0.31 1.40 0.08 0.00 -0.00 0.00 0.00 56.10 57.89 1r0h s TRP 37 Cb 0.21 -3.69 -0.05 0.00 -0.00 0.00 0.00 33.47 29.94 1r0h s TRP 37 CO 0.31 -2.23 -0.16 0.14 -0.00 0.00 0.00 176.95 175.00 1r0h s VAL 38 N -1.29 1.82 0.06 5.86 -7.23 -1.26 -3.75 120.40 114.62 1r0h s VAL 38 Ca 0.60 -2.12 -0.33 0.00 -1.81 0.00 0.00 61.98 58.31 1r0h s VAL 38 Cb -0.38 -1.99 -0.12 0.00 0.56 0.00 0.00 36.38 34.45 1r0h s VAL 38 CO 0.48 -0.48 1.76 0.00 -0.31 0.00 0.00 175.10 176.55 1r0h h PRO 40 N 7.81 0.00 0.00 0.00 0.11 -1.97 -0.83 132.00 137.12 1r0h h PRO 40 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1r0h h PRO 40 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1r0h h PRO 40 CO 0.93 0.00 -1.39 -0.11 -0.21 0.00 0.00 178.00 177.22 1r0h n LEU 41 N -3.65 1.87 -0.00 2.35 0.00 -1.26 -4.71 117.00 111.60 1r0h n LEU 41 Ca -0.01 0.43 0.05 0.00 0.00 0.00 0.00 56.01 56.48 1r0h n LEU 41 Cb 0.19 -0.92 -0.06 0.00 0.00 0.00 0.00 43.42 42.63 1r0h n LEU 41 CO 0.25 0.20 -0.05 0.00 0.00 0.00 0.00 177.39 177.80 1r0h n GLY 43 N 1.28 0.69 3.88 0.00 0.00 -0.32 -4.98 105.19 105.75 1r0h n GLY 43 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1r0h n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r0h s VAL 44 N -2.49 4.01 0.81 1.61 -7.23 -1.26 -4.55 120.40 111.29 1r0h s VAL 44 Ca 0.00 0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 60.59 1r0h s VAL 44 Cb 0.00 -3.63 0.08 0.00 0.56 0.00 0.00 36.38 33.39 1r0h s VAL 44 CO 0.00 -0.80 1.17 -0.83 -0.31 0.00 0.00 175.10 174.33 1r0h s GLY 45 N -4.28 1.60 0.57 2.32 0.00 -1.26 -0.27 107.32 106.00 1r0h s GLY 45 Ca 0.56 -0.67 0.27 0.00 0.00 0.00 0.00 44.72 44.88 1r0h s GLY 45 CO 0.51 -0.18 2.02 0.50 0.00 0.00 0.00 173.10 175.95 1r0h h LYS 46 N -1.04 0.00 0.00 2.90 1.57 -1.86 -2.41 116.57 115.73 1r0h h LYS 46 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1r0h h LYS 46 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1r0h h LYS 46 CO 0.65 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.13 1r0h n ASP 47 N -3.96 0.25 -1.22 0.86 5.75 -1.26 -1.54 116.55 115.43 1r0h n ASP 47 Ca 0.05 0.58 0.09 0.00 -0.01 0.00 0.00 54.79 55.50 1r0h n ASP 47 Cb 0.48 -0.62 0.28 0.00 -1.03 0.00 0.00 41.12 40.23 1r0h n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r0h n GLN 48 N -1.79 2.71 -3.96 0.11 1.13 -0.91 -4.94 117.38 109.72 1r0h n GLN 48 Ca 0.02 -2.28 -0.25 0.00 -1.94 0.00 0.00 57.00 52.55 1r0h n GLN 48 Cb 0.14 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 28.88 1r0h n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1r0h s PHE 49 N -1.37 3.45 -0.01 1.08 0.40 -0.59 -1.06 117.98 119.89 1r0h s PHE 49 Ca 0.42 0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.79 1r0h s PHE 49 Cb 0.23 -1.63 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 1r0h s PHE 49 CO 0.26 0.50 0.07 -1.83 0.70 0.00 0.00 175.22 174.92 1r0h s GLU 50 N -3.37 0.30 0.24 0.44 -1.05 -0.63 -4.93 118.70 109.70 1r0h s GLU 50 Ca 0.34 -0.28 -0.31 0.00 -0.15 0.00 0.00 54.97 54.57 1r0h s GLU 50 Cb -0.11 0.12 -0.13 0.00 -0.44 0.00 0.00 34.13 33.57 1r0h s GLU 50 CO 0.28 -0.06 1.39 0.39 0.95 0.00 0.00 175.26 178.21 1r0h n GLU 51 N 2.05 1.98 -2.74 -4.83 1.02 -1.26 -1.07 120.64 115.78 1r0h n GLU 51 Ca -0.19 0.70 -0.43 0.00 -0.02 0.00 0.00 57.16 57.22 1r0h n GLU 51 Cb 0.57 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 1r0h n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r0h s VAL 52 N -0.09 4.69 -0.71 2.62 1.01 -0.20 -4.84 120.40 122.89 1r0h s VAL 52 Ca 0.68 1.77 0.06 0.00 0.00 0.00 0.00 61.98 64.49 1r0h s VAL 52 Cb -0.66 -4.27 0.05 0.00 0.00 0.00 0.00 36.38 31.50 1r0h s VAL 52 CO 0.50 -0.22 0.68 1.21 0.00 0.00 0.00 175.10 177.27