#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s GLU 5 N 0.00 1.90 -0.05 5.56 2.12 -1.26 -1.64 118.70 125.33 3i56 s GLU 5 Ca 0.00 -1.10 -0.30 0.00 0.36 0.00 0.00 54.97 53.93 3i56 s GLU 5 Cb 0.00 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 3i56 s GLU 5 CO 0.00 0.50 1.26 0.00 -0.54 0.00 0.00 175.26 176.48 3i56 n ASP 7 N 5.32 0.43 0.00 0.00 8.00 -0.93 -2.23 116.55 127.14 3i56 n ASP 7 Ca 0.12 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3i56 n ASP 7 Cb 0.45 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3i56 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i56 n TYR 8 N 0.02 0.00 0.09 1.24 9.36 -1.26 -4.93 117.16 121.67 3i56 n TYR 8 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 3i56 n TYR 8 Cb 0.11 0.11 -0.08 0.00 -0.63 0.00 0.00 39.34 38.84 3i56 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i56 n GLY 10 N 1.20 0.45 3.86 0.00 0.00 -0.95 -2.10 105.19 107.65 3i56 n GLY 10 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3i56 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i56 s THR 11 N -2.00 3.05 -0.14 2.61 -4.23 -1.26 -4.54 115.64 109.13 3i56 s THR 11 Ca 0.00 0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.56 3i56 s THR 11 Cb 0.00 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 3i56 s THR 11 CO 0.00 -0.45 1.05 -1.81 -0.54 0.00 0.00 174.62 172.87 3i56 s ASP 12 N -4.28 7.17 -0.25 3.99 1.01 -1.26 -1.22 116.67 121.82 3i56 s ASP 12 Ca 0.60 1.52 -0.29 0.00 0.71 0.00 0.00 52.55 55.09 3i56 s ASP 12 Cb -0.12 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.26 3i56 s ASP 12 CO 0.52 -0.54 1.29 -0.63 0.21 0.00 0.00 175.17 176.01 3i56 s ILE 13 N 2.47 4.19 0.01 0.77 1.01 -0.65 -4.93 121.20 124.06 3i56 s ILE 13 Ca 0.48 1.38 -0.32 0.00 0.00 0.00 0.00 60.65 62.19 3i56 s ILE 13 Cb -0.18 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 3i56 s ILE 13 CO 0.14 -0.35 1.91 1.21 0.00 0.00 0.00 174.94 177.85 3i56 n GLU 14 N 7.06 2.60 -1.66 2.79 4.07 -1.26 -4.45 120.64 129.80 3i56 n GLU 14 Ca 0.14 0.95 -0.47 0.00 -0.06 0.00 0.00 57.16 57.73 3i56 n GLU 14 Cb 0.46 -2.85 -0.04 0.00 -0.06 0.00 0.00 31.44 28.94 3i56 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3i56 n PRO 15 N 6.74 2.01 -0.69 5.31 -0.04 -1.26 -2.25 135.00 144.83 3i56 n PRO 15 Ca 0.20 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 3i56 n PRO 15 Cb 0.36 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3i56 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i56 n GLY 16 N 3.30 0.95 3.22 0.55 0.00 -1.26 -5.07 105.19 106.88 3i56 n GLY 16 Ca 0.17 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 3i56 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i56 s THR 17 N -2.00 0.08 0.00 2.61 2.01 -0.95 -5.16 115.64 112.23 3i56 s THR 17 Ca 0.00 -1.76 0.00 0.00 0.31 0.00 0.00 61.69 60.24 3i56 s THR 17 Cb 0.00 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.47 3i56 s THR 17 CO 0.00 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.18 3i56 n GLY 18 N -0.15 -0.23 3.21 4.40 0.00 -1.26 -4.86 105.19 106.30 3i56 n GLY 18 Ca -0.05 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 3i56 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i56 s THR 19 N -2.26 1.38 -0.26 2.61 2.01 -1.04 -5.01 115.64 113.07 3i56 s THR 19 Ca 0.00 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.68 3i56 s THR 19 Cb 0.00 -1.27 0.05 0.00 0.01 0.00 0.00 72.50 71.29 3i56 s THR 19 CO 0.00 -0.09 -0.09 -0.32 -0.69 0.00 0.00 174.62 173.43 3i56 s MET 20 N -1.65 2.43 -0.01 4.92 1.75 -1.26 -0.80 119.30 124.67 3i56 s MET 20 Ca 0.02 -1.23 -0.20 0.00 -1.25 0.00 0.00 55.69 53.03 3i56 s MET 20 Cb -0.10 -2.92 -0.05 0.00 2.84 0.00 0.00 34.83 34.60 3i56 s MET 20 CO 0.03 -0.52 0.58 0.12 -0.65 0.00 0.00 175.02 174.58 3i56 s PHE 21 N 1.18 3.67 -0.21 4.11 5.36 0.06 -4.93 117.98 127.21 3i56 s PHE 21 Ca -0.06 1.17 -0.05 0.00 -0.96 0.00 0.00 56.93 57.03 3i56 s PHE 21 Cb -0.19 -2.60 -0.02 0.00 -0.34 0.00 0.00 43.02 39.87 3i56 s PHE 21 CO -0.05 0.34 0.00 0.08 -1.46 0.00 0.00 175.22 174.13 3i56 s VAL 22 N -0.14 3.89 0.87 3.12 1.01 -1.26 -0.97 120.40 126.91 3i56 s VAL 22 Ca 0.30 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 3i56 s VAL 22 Cb -0.18 -2.77 0.13 0.00 0.00 0.00 0.00 36.38 33.56 3i56 s VAL 22 CO 0.17 0.42 1.23 -1.00 0.00 0.00 0.00 175.10 175.91 3i56 s HIS 23 N 1.16 2.40 0.12 5.22 0.09 0.57 -4.99 115.29 119.85 3i56 s HIS 23 Ca 0.03 0.56 -0.19 0.00 -0.00 0.00 0.00 55.06 55.46 3i56 s HIS 23 Cb -0.14 -3.73 -0.06 0.00 -0.00 0.00 0.00 32.58 28.64 3i56 s HIS 23 CO 0.01 -2.11 1.75 -0.22 -0.00 0.00 0.00 174.74 174.17 3i56 h LYS 24 N -1.27 0.30 0.00 1.40 3.64 -2.00 -2.95 116.57 115.70 3i56 h LYS 24 Ca -0.45 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 3i56 h LYS 24 Cb 1.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3i56 h LYS 24 CO 0.55 0.24 -0.32 0.38 -2.27 0.00 0.00 179.45 178.02 3i56 h ASP 25 N 0.28 0.00 0.00 4.20 -0.00 -2.05 -3.46 116.42 115.38 3i56 h ASP 25 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 3i56 h ASP 25 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.35 3i56 h ASP 25 CO -0.02 0.32 0.00 0.61 -0.00 0.00 0.00 179.24 180.16 3i56 n GLY 26 N -0.25 1.07 3.71 7.15 0.00 -1.11 -5.12 105.19 110.63 3i56 n GLY 26 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3i56 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 n ALA 27 N 0.00 1.44 -3.02 4.61 0.00 -1.26 -4.64 120.51 117.64 3i56 n ALA 27 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 3i56 n ALA 27 Cb 0.00 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.04 3i56 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i56 s THR 28 N -1.06 3.25 -0.21 0.00 2.01 -1.26 -0.32 115.64 118.05 3i56 s THR 28 Ca 0.56 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 3i56 s THR 28 Cb -0.56 -2.38 0.06 0.00 0.01 0.00 0.00 72.50 69.63 3i56 s THR 28 CO 0.62 0.52 -0.02 -0.89 -0.69 0.00 0.00 174.62 174.16 3i56 s THR 29 N 0.30 1.15 0.22 -0.82 2.01 -0.14 -5.02 115.64 113.34 3i56 s THR 29 Ca -0.08 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 3i56 s THR 29 Cb -0.15 -1.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 3i56 s THR 29 CO 0.05 -0.11 0.78 -1.00 -0.69 0.00 0.00 174.62 173.65 3i56 s HIS 30 N 1.57 3.75 0.01 4.92 3.76 -1.26 -0.76 115.29 127.27 3i56 s HIS 30 Ca -0.04 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.47 3i56 s HIS 30 Cb -0.18 -2.73 -0.02 0.00 1.11 0.00 0.00 32.58 30.77 3i56 s HIS 30 CO -0.07 0.37 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.99 3i56 s PHE 31 N -1.41 1.29 0.02 1.40 0.40 0.02 -2.19 117.98 117.50 3i56 s PHE 31 Ca 0.42 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.53 3i56 s PHE 31 Cb -0.19 -0.80 -0.23 0.00 0.51 0.00 0.00 43.02 42.30 3i56 s PHE 31 CO 0.23 0.01 0.91 0.00 0.70 0.00 0.00 175.22 177.07 3i56 s SER 33 N -6.51 0.45 0.23 0.00 1.04 -1.26 -4.18 113.70 103.48 3i56 s SER 33 Ca -0.04 -1.26 0.11 0.00 0.48 0.00 0.00 55.95 55.23 3i56 s SER 33 Cb 0.08 0.68 0.17 0.00 0.10 0.00 0.00 66.02 67.06 3i56 s SER 33 CO 0.83 -1.33 1.50 0.77 0.98 0.00 0.00 173.24 175.99 3i56 h SER 34 N 2.13 0.00 -0.79 7.02 4.64 -1.99 -3.16 113.55 121.40 3i56 h SER 34 Ca -0.28 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 3i56 h SER 34 Cb 1.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.27 3i56 h SER 34 CO 0.38 0.71 0.47 0.50 -0.87 0.00 0.00 176.83 178.02 3i56 h LYS 35 N 0.00 0.82 -0.13 4.77 3.64 -1.99 -0.60 116.57 123.09 3i56 h LYS 35 Ca -0.01 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 3i56 h LYS 35 Cb 1.33 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3i56 h LYS 35 CO 0.09 0.54 -0.15 0.00 -2.27 0.00 0.00 179.45 177.67 3i56 h GLU 37 N -0.07 0.31 -0.03 0.00 5.08 -1.41 -0.04 114.58 118.41 3i56 h GLU 37 Ca 0.02 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3i56 h GLU 37 Cb 0.69 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3i56 h GLU 37 CO 0.04 0.20 -0.53 -0.91 -1.00 0.00 0.00 179.01 176.81 3i56 h ASN 38 N 0.32 0.10 0.64 1.42 2.35 -1.15 -1.50 115.58 117.76 3i56 h ASN 38 Ca 0.27 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.82 3i56 h ASN 38 Cb 0.33 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3i56 h ASN 38 CO -0.30 0.61 -0.68 0.78 -1.65 0.00 0.00 177.43 176.19 3i56 h ASN 39 N 0.07 0.04 0.09 5.81 4.21 -0.72 -2.90 115.58 122.18 3i56 h ASN 39 Ca -0.00 -0.02 -0.20 0.00 1.21 0.00 0.00 56.30 57.28 3i56 h ASN 39 Cb 0.97 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.16 3i56 h ASN 39 CO 0.07 0.71 -0.74 0.00 -1.29 0.00 0.00 177.43 176.18 3i56 h ALA 40 N 1.29 0.49 0.00 -0.83 0.00 -0.74 -2.83 119.26 116.64 3i56 h ALA 40 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i56 h ALA 40 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i56 h ALA 40 CO 0.09 0.73 0.00 -0.44 0.00 0.00 0.00 179.25 179.63 3i56 h ASP 41 N 0.38 0.00 -0.04 0.00 3.32 -1.18 -1.91 116.42 116.99 3i56 h ASP 41 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3i56 h ASP 41 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 3i56 h ASP 41 CO 0.14 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.84 3i56 n LEU 42 N -2.97 1.19 0.00 1.55 4.77 -1.11 -4.91 117.00 115.53 3i56 n LEU 42 Ca 0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3i56 n LEU 42 Cb 0.28 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3i56 n LEU 42 CO 0.26 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3i56 n GLY 43 N 1.11 0.49 3.74 -0.72 0.00 -0.72 -5.02 105.19 104.07 3i56 n GLY 43 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3i56 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i56 s ARG 44 N -0.12 4.75 -0.18 1.61 0.52 -1.08 -5.04 118.95 119.40 3i56 s ARG 44 Ca 0.00 1.54 -0.10 0.00 -0.52 0.00 0.00 55.73 56.65 3i56 s ARG 44 Cb 0.00 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 3i56 s ARG 44 CO 0.00 0.33 0.14 -1.21 0.02 0.00 0.00 175.30 174.58 3i56 s GLU 45 N -0.68 4.05 0.56 3.54 2.02 -1.26 -4.45 118.70 122.48 3i56 s GLU 45 Ca 0.45 -0.18 0.34 0.00 0.02 0.00 0.00 54.97 55.59 3i56 s GLU 45 Cb -0.26 -3.38 1.49 0.00 0.10 0.00 0.00 34.13 32.08 3i56 s GLU 45 CO 0.32 0.39 1.80 0.00 0.02 0.00 0.00 175.26 177.79 3i56 h ALA 46 N 6.35 2.91 -0.48 5.21 0.00 -1.94 -1.77 119.26 129.53 3i56 h ALA 46 Ca -0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3i56 h ALA 46 Cb 1.17 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3i56 h ALA 46 CO 0.73 -1.31 0.07 0.00 0.00 0.00 0.00 179.25 178.74 3i56 h ARG 47 N 0.00 0.75 0.00 0.00 3.08 -1.94 -3.10 114.38 113.18 3i56 h ARG 47 Ca 0.48 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 3i56 h ARG 47 Cb 2.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.99 3i56 h ARG 47 CO -0.01 0.71 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.47 3i56 h ASN 48 N 0.72 0.00 -3.43 7.04 2.35 -1.74 -3.42 115.58 117.10 3i56 h ASN 48 Ca 0.15 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.31 3i56 h ASN 48 Cb 0.33 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.60 3i56 h ASN 48 CO 0.01 0.23 -0.08 -0.76 -1.65 0.00 0.00 177.43 175.17 3i56 s LEU 49 N -6.41 4.18 0.51 1.61 1.43 -1.17 -5.00 118.68 113.83 3i56 s LEU 49 Ca 0.04 0.69 0.27 0.00 -1.03 0.00 0.00 54.13 54.10 3i56 s LEU 49 Cb 0.07 -2.68 1.34 0.00 0.03 0.00 0.00 46.19 44.95 3i56 s LEU 49 CO 0.68 -0.12 2.01 -0.33 0.23 0.00 0.00 176.35 178.82 3i56 h GLU 50 N 7.27 0.00 0.00 1.70 5.08 -1.86 -3.14 114.58 123.63 3i56 h GLU 50 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3i56 h GLU 50 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3i56 h GLU 50 CO 0.74 0.14 0.00 0.11 -1.00 0.00 0.00 179.01 179.00 3i56 h TRP 51 N 0.00 0.00 -3.77 4.33 5.08 -1.94 -3.42 115.95 116.23 3i56 h TRP 51 Ca -0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 3i56 h TRP 51 Cb 0.44 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.63 3i56 h TRP 51 CO 0.00 0.00 0.55 0.99 -1.28 0.00 0.00 178.44 178.70 3i56 s THR 52 N -3.29 3.20 0.35 0.12 2.01 -1.19 -4.96 115.64 111.90 3i56 s THR 52 Ca 0.06 1.18 0.32 0.00 0.31 0.00 0.00 61.69 63.56 3i56 s THR 52 Cb 0.07 -3.75 0.35 0.00 0.01 0.00 0.00 72.50 69.18 3i56 s THR 52 CO 0.63 0.26 2.09 0.44 -0.69 0.00 0.00 174.62 177.35 3i56 h ASP 53 N 3.91 0.00 -0.29 3.53 5.19 -1.77 -2.31 116.42 124.68 3i56 h ASP 53 Ca -0.47 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.86 3i56 h ASP 53 Cb 1.22 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 3i56 h ASP 53 CO 0.68 0.07 -0.12 0.74 -3.12 0.00 0.00 179.24 177.50 3i56 h THR 54 N 0.00 1.29 0.47 0.35 2.02 -1.73 -3.28 112.91 112.04 3i56 h THR 54 Ca -0.00 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 3i56 h THR 54 Cb 0.35 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3i56 h THR 54 CO 0.01 0.38 -0.23 0.00 0.37 0.00 0.00 175.52 176.05 3i56 h ALA 55 N 0.76 -0.64 -0.01 6.16 0.00 -1.66 -3.49 119.26 120.39 3i56 h ALA 55 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i56 h ALA 55 Cb 0.62 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3i56 h ALA 55 CO 0.04 -0.68 0.00 2.89 0.00 0.00 0.00 179.25 181.49