#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixa n ASP 47 N 0.00 0.89 -2.44 -1.34 9.92 -1.26 -4.09 116.55 118.23 1ixa n ASP 47 Ca 0.00 -0.85 -0.32 0.00 -0.53 0.00 0.00 54.79 53.09 1ixa n ASP 47 Cb 0.00 0.95 0.04 0.00 -0.64 0.00 0.00 41.12 41.47 1ixa n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ixa n GLY 48 N 1.49 5.95 2.65 0.44 0.00 -1.26 -4.73 105.19 109.73 1ixa n GLY 48 Ca 0.04 -2.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.18 1ixa n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ixa n ASP 49 N -0.67 4.71 -0.07 1.61 2.03 -1.26 -4.74 116.55 118.17 1ixa n ASP 49 Ca 0.50 -3.42 0.13 0.00 0.52 0.00 0.00 54.79 52.52 1ixa n ASP 49 Cb 0.62 -0.89 0.44 0.00 -0.72 0.00 0.00 41.12 40.57 1ixa n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ixa n GLN 50 N 1.07 0.32 -3.28 -0.67 1.13 -1.26 -4.03 117.38 110.65 1ixa n GLN 50 Ca 0.28 -0.14 -0.32 0.00 -1.94 0.00 0.00 57.00 54.88 1ixa n GLN 50 Cb 0.38 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.18 1ixa n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ixa n GLU 52 N 0.98 0.52 -2.84 0.00 2.13 -1.26 -4.74 120.64 115.42 1ixa n GLU 52 Ca 0.29 0.21 -0.25 0.00 0.66 0.00 0.00 57.16 58.07 1ixa n GLU 52 Cb 0.38 -1.40 -0.02 0.00 0.27 0.00 0.00 31.44 30.67 1ixa n GLU 52 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ixa n SER 53 N -4.39 3.86 -2.52 4.31 2.88 -1.26 -5.00 113.62 111.50 1ixa n SER 53 Ca -0.18 -3.55 -0.06 0.00 -1.33 0.00 0.00 58.87 53.75 1ixa n SER 53 Cb 0.55 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1ixa n SER 53 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ixa n ASN 54 N -0.22 -0.99 -0.27 -3.46 3.02 -1.26 -4.77 115.26 107.31 1ixa n ASN 54 Ca 0.31 -0.17 0.09 0.00 -0.03 0.00 0.00 54.58 54.78 1ixa n ASN 54 Cb 0.52 -0.32 0.33 0.00 -0.61 0.00 0.00 39.78 39.70 1ixa n ASN 54 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ixa h PRO 55 N 0.68 0.78 -6.97 3.52 0.13 -1.95 -3.42 132.00 124.77 1ixa h PRO 55 Ca -0.13 -0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.39 1ixa h PRO 55 Cb 0.28 -0.18 0.17 0.00 0.13 0.00 0.00 31.00 31.41 1ixa h PRO 55 CO 0.07 0.52 0.24 0.00 -0.23 0.00 0.00 178.00 178.60 1ixa s LEU 57 N -3.29 2.75 0.00 0.00 1.43 0.54 -4.66 118.68 115.47 1ixa s LEU 57 Ca 0.77 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1ixa s LEU 57 Cb -0.37 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1ixa s LEU 57 CO 0.46 -0.62 0.00 0.59 0.23 0.00 0.00 176.35 177.01 1ixa n ASN 58 N -1.15 0.00 0.00 2.29 3.02 -1.26 -3.71 115.26 114.45 1ixa n ASN 58 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1ixa n ASN 58 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1ixa n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ixa n GLY 59 N 0.00 0.13 3.49 7.41 0.00 -1.26 -5.12 105.19 109.84 1ixa n GLY 59 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1ixa n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ixa n GLY 60 N 0.00 2.89 3.51 -0.02 0.00 -1.24 -4.69 105.19 105.64 1ixa n GLY 60 Ca 0.00 -2.30 -0.25 0.00 0.00 0.00 0.00 46.02 43.47 1ixa n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ixa s SER 61 N -3.92 3.85 -0.19 1.61 0.15 -0.28 -4.90 113.70 110.01 1ixa s SER 61 Ca 0.25 -0.86 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1ixa s SER 61 Cb -0.02 -0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1ixa s SER 61 CO 0.16 0.06 -0.05 0.00 1.20 0.00 0.00 173.24 174.60 1ixa s LYS 63 N 1.03 1.65 0.24 0.00 2.20 -0.25 -4.90 119.74 119.70 1ixa s LYS 63 Ca 0.00 -1.38 0.07 0.00 -0.36 0.00 0.00 55.97 54.31 1ixa s LYS 63 Cb -0.15 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 1ixa s LYS 63 CO 0.00 0.43 0.14 0.34 -0.36 0.00 0.00 175.35 175.90 1ixa s ASP 64 N -2.49 5.28 0.00 1.43 2.15 -1.26 -1.30 116.67 120.48 1ixa s ASP 64 Ca 0.20 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.85 1ixa s ASP 64 Cb -0.09 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 1ixa s ASP 64 CO 0.10 -0.01 0.00 -0.67 -0.17 0.00 0.00 175.17 174.42 1ixa n ASP 65 N -0.98 0.00 0.06 -0.34 2.03 -0.99 -4.82 116.55 111.51 1ixa n ASP 65 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1ixa n ASP 65 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1ixa n ASP 65 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ixa n ILE 66 N -0.83 0.29 -0.03 5.18 5.41 -1.26 -4.98 119.36 123.14 1ixa n ILE 66 Ca 0.00 0.10 -0.05 0.00 1.00 0.00 0.00 62.75 63.80 1ixa n ILE 66 Cb 0.00 -0.72 -0.03 0.00 -0.71 0.00 0.00 39.64 38.18 1ixa n ILE 66 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ixa n ASN 67 N -3.04 3.19 -3.55 4.38 3.02 -1.26 -5.01 115.26 112.99 1ixa n ASN 67 Ca 0.00 -0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.40 1ixa n ASN 67 Cb 0.00 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.08 1ixa n ASN 67 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ixa n SER 68 N -2.75 1.59 -4.74 6.41 7.64 -1.26 -4.77 113.62 115.74 1ixa n SER 68 Ca -0.11 -1.93 -0.29 0.00 1.01 0.00 0.00 58.87 57.55 1ixa n SER 68 Cb 0.62 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 1ixa n SER 68 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1ixa s TYR 69 N -1.23 2.17 -0.01 1.43 1.13 -1.26 -2.35 117.35 117.22 1ixa s TYR 69 Ca 0.24 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 55.12 1ixa s TYR 69 Cb -0.02 -1.79 0.02 0.00 -1.10 0.00 0.00 41.96 39.07 1ixa s TYR 69 CO 0.15 0.16 0.01 -2.00 -2.51 0.00 0.00 175.55 171.37 1ixa s GLU 70 N -3.91 0.02 0.02 -3.49 2.12 -0.42 -4.86 118.70 108.18 1ixa s GLU 70 Ca 0.26 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.68 1ixa s GLU 70 Cb 0.04 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 1ixa s GLU 70 CO 0.14 -0.10 0.19 0.00 -0.54 0.00 0.00 175.26 174.96 1ixa s TRP 72 N -1.41 3.15 0.13 0.00 -0.00 -0.19 -4.93 118.94 115.69 1ixa s TRP 72 Ca 0.31 -1.60 0.03 0.00 -0.00 0.00 0.00 56.10 54.84 1ixa s TRP 72 Cb -0.13 -2.10 -0.04 0.00 -0.00 0.00 0.00 33.47 31.20 1ixa s TRP 72 CO 0.23 -0.74 0.19 0.00 -0.00 0.00 0.00 176.95 176.63 1ixa n PRO 74 N -0.18 -2.01 -1.98 0.00 -0.04 -1.26 -4.87 135.00 124.66 1ixa n PRO 74 Ca -0.07 -0.55 -0.41 0.00 -0.04 0.00 0.00 63.50 62.43 1ixa n PRO 74 Cb 0.53 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 1ixa n PRO 74 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ixa s PHE 75 N -2.42 1.72 0.00 0.54 5.36 -1.26 -2.35 117.98 119.56 1ixa s PHE 75 Ca 0.67 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1ixa s PHE 75 Cb -0.24 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.36 1ixa s PHE 75 CO 0.64 -2.72 0.00 0.41 -1.46 0.00 0.00 175.22 172.09 1ixa n GLY 76 N 5.54 0.90 3.40 13.12 0.00 -1.26 -5.13 105.19 121.76 1ixa n GLY 76 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1ixa n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ixa s PHE 77 N -1.07 2.45 0.35 1.61 0.40 -0.99 -5.05 117.98 115.68 1ixa s PHE 77 Ca 0.00 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1ixa s PHE 77 Cb 0.00 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1ixa s PHE 77 CO 0.00 0.16 0.23 -1.83 0.70 0.00 0.00 175.22 174.49 1ixa s GLU 78 N -1.20 1.81 0.00 0.44 -1.05 -1.26 -4.74 118.70 112.71 1ixa s GLU 78 Ca 0.13 -2.07 0.00 0.00 -0.15 0.00 0.00 54.97 52.88 1ixa s GLU 78 Cb -0.10 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 1ixa s GLU 78 CO 0.03 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.04 1ixa n GLY 79 N -0.71 0.50 0.09 -3.83 0.00 -1.26 -1.61 105.19 98.36 1ixa n GLY 79 Ca 0.03 -2.25 -0.17 0.00 0.00 0.00 0.00 46.02 43.63 1ixa n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ixa h LYS 80 N 8.73 0.15 -1.08 1.61 3.64 -2.00 -3.35 116.57 124.27 1ixa h LYS 80 Ca 0.00 -0.26 -0.53 0.00 -1.27 0.00 0.00 60.65 58.59 1ixa h LYS 80 Cb 0.00 0.10 -0.42 0.00 -0.41 0.00 0.00 32.23 31.50 1ixa h LYS 80 CO 0.00 1.13 -0.84 0.27 -2.27 0.00 0.00 179.45 177.74 1ixa n ASN 81 N -4.35 4.25 -3.45 4.20 0.23 -1.26 -4.29 115.26 110.59 1ixa n ASN 81 Ca -0.13 -3.50 -0.34 0.00 -0.53 0.00 0.00 54.58 50.08 1ixa n ASN 81 Cb 0.66 -0.42 0.03 0.00 -2.08 0.00 0.00 39.78 37.97 1ixa n ASN 81 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ixa n GLU 83 N -0.77 0.71 0.00 0.00 2.13 -0.81 -2.84 120.64 119.06 1ixa n GLU 83 Ca -0.14 -0.13 0.08 0.00 0.66 0.00 0.00 57.16 57.63 1ixa n GLU 83 Cb 0.65 -1.40 0.06 0.00 0.27 0.00 0.00 31.44 31.02 1ixa n GLU 83 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00