#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd6 s GLU 5 N 0.00 1.37 0.03 5.56 2.12 -1.26 -2.17 118.70 124.35 3cd6 s GLU 5 Ca 0.00 -1.04 -0.30 0.00 0.36 0.00 0.00 54.97 53.99 3cd6 s GLU 5 Cb 0.00 -1.55 -0.06 0.00 0.26 0.00 0.00 34.13 32.78 3cd6 s GLU 5 CO 0.00 0.39 1.33 0.00 -0.54 0.00 0.00 175.26 176.43 3cd6 n ASP 7 N 4.68 0.00 0.00 0.00 8.00 -0.59 -2.47 116.55 126.16 3cd6 n ASP 7 Ca 0.11 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3cd6 n ASP 7 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3cd6 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cd6 n TYR 8 N -0.94 0.00 -0.05 1.24 9.36 -1.26 -4.91 117.16 120.60 3cd6 n TYR 8 Ca 0.11 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.19 3cd6 n TYR 8 Cb 0.05 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.74 3cd6 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cd6 n GLY 10 N 0.37 0.82 3.90 0.00 0.00 -1.03 -1.33 105.19 107.91 3cd6 n GLY 10 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3cd6 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cd6 s THR 11 N -2.00 4.38 -0.41 2.61 -4.23 -1.26 -4.61 115.64 110.12 3cd6 s THR 11 Ca 0.00 0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 60.61 3cd6 s THR 11 Cb 0.00 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 70.13 3cd6 s THR 11 CO 0.00 -0.82 1.41 -1.81 -0.54 0.00 0.00 174.62 172.86 3cd6 s ASP 12 N -4.21 6.35 0.22 3.99 1.01 -1.26 -1.30 116.67 121.47 3cd6 s ASP 12 Ca 0.52 0.85 -0.30 0.00 0.71 0.00 0.00 52.55 54.33 3cd6 s ASP 12 Cb -0.11 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 3cd6 s ASP 12 CO 0.48 -1.42 1.46 -0.63 0.21 0.00 0.00 175.17 175.27 3cd6 s ILE 13 N 5.40 2.70 0.07 0.77 1.01 -0.92 -4.96 121.20 125.25 3cd6 s ILE 13 Ca 0.61 0.56 -0.31 0.00 0.00 0.00 0.00 60.65 61.52 3cd6 s ILE 13 Cb -0.14 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 3cd6 s ILE 13 CO 0.32 0.08 1.33 -0.70 0.00 0.00 0.00 174.94 175.97 3cd6 s GLU 14 N 0.02 4.34 0.31 2.79 2.56 -1.26 -4.53 118.70 122.93 3cd6 s GLU 14 Ca 0.62 1.95 -0.29 0.00 0.00 0.00 0.00 54.97 57.24 3cd6 s GLU 14 Cb -0.42 -3.37 -0.10 0.00 2.00 0.00 0.00 34.13 32.24 3cd6 s GLU 14 CO 0.40 -0.42 1.42 -1.25 -0.56 0.00 0.00 175.26 174.85 3cd6 s PRO 15 N 1.45 4.25 0.00 4.30 0.04 -1.26 -2.70 135.00 141.08 3cd6 s PRO 15 Ca 0.62 2.36 0.00 0.00 0.04 0.00 0.00 61.00 64.03 3cd6 s PRO 15 Cb -0.33 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3cd6 s PRO 15 CO 0.29 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3cd6 n GLY 16 N 1.40 0.56 3.16 0.56 0.00 -1.26 -5.04 105.19 104.57 3cd6 n GLY 16 Ca 0.04 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 3cd6 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cd6 s THR 17 N -2.00 0.09 0.00 2.61 2.01 -1.10 -5.15 115.64 112.10 3cd6 s THR 17 Ca 0.00 -1.91 0.00 0.00 0.31 0.00 0.00 61.69 60.09 3cd6 s THR 17 Cb 0.00 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.41 3cd6 s THR 17 CO 0.00 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.14 3cd6 n GLY 18 N -0.12 -0.36 3.18 4.40 0.00 -1.26 -4.85 105.19 106.18 3cd6 n GLY 18 Ca -0.04 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 3cd6 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cd6 s THR 19 N -1.78 1.07 -0.20 2.61 2.01 -0.87 -5.02 115.64 113.47 3cd6 s THR 19 Ca 0.00 -1.49 0.02 0.00 0.31 0.00 0.00 61.69 60.53 3cd6 s THR 19 Cb 0.00 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.31 3cd6 s THR 19 CO 0.00 -0.38 -0.17 -0.32 -0.69 0.00 0.00 174.62 173.06 3cd6 s MET 20 N -2.26 2.70 -0.14 4.92 1.75 -1.26 -0.41 119.30 124.60 3cd6 s MET 20 Ca 0.02 -0.96 -0.13 0.00 -1.25 0.00 0.00 55.69 53.37 3cd6 s MET 20 Cb -0.07 -2.63 -0.05 0.00 2.84 0.00 0.00 34.83 34.93 3cd6 s MET 20 CO 0.02 -0.32 0.28 0.12 -0.65 0.00 0.00 175.02 174.47 3cd6 s PHE 21 N 1.25 3.50 -0.31 4.11 5.36 0.20 -4.95 117.98 127.14 3cd6 s PHE 21 Ca 0.01 0.62 -0.07 0.00 -0.96 0.00 0.00 56.93 56.53 3cd6 s PHE 21 Cb -0.15 -2.29 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 3cd6 s PHE 21 CO -0.10 0.33 0.09 0.08 -1.46 0.00 0.00 175.22 174.16 3cd6 s VAL 22 N 0.16 3.88 1.00 3.12 1.01 -1.26 -0.94 120.40 127.36 3cd6 s VAL 22 Ca 0.17 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3cd6 s VAL 22 Cb -0.13 -3.08 0.19 0.00 0.00 0.00 0.00 36.38 33.36 3cd6 s VAL 22 CO 0.05 -0.03 1.10 -1.00 0.00 0.00 0.00 175.10 175.22 3cd6 s HIS 23 N 1.46 2.11 0.17 5.22 0.09 -0.05 -4.94 115.29 119.34 3cd6 s HIS 23 Ca 0.01 0.94 -0.15 0.00 -0.00 0.00 0.00 55.06 55.86 3cd6 s HIS 23 Cb -0.18 -3.29 0.08 0.00 -0.00 0.00 0.00 32.58 29.19 3cd6 s HIS 23 CO 0.02 -2.90 1.80 -0.22 -0.00 0.00 0.00 174.74 173.44 3cd6 h LYS 24 N -1.89 0.49 0.00 1.40 3.64 -1.99 -2.62 116.57 115.60 3cd6 h LYS 24 Ca -0.54 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.74 3cd6 h LYS 24 Cb 1.33 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3cd6 h LYS 24 CO 0.58 0.32 -0.33 0.38 -2.27 0.00 0.00 179.45 178.13 3cd6 h ASP 25 N 0.50 0.00 0.00 4.20 -0.00 -2.05 -3.46 116.42 115.61 3cd6 h ASP 25 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.22 3cd6 h ASP 25 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 3cd6 h ASP 25 CO -0.11 0.33 0.00 0.61 -0.00 0.00 0.00 179.24 180.08 3cd6 n GLY 26 N -0.12 1.23 3.64 7.15 0.00 -0.99 -5.13 105.19 110.98 3cd6 n GLY 26 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3cd6 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd6 n ALA 27 N 0.00 0.42 -3.51 4.61 0.00 -1.26 -4.65 120.51 116.12 3cd6 n ALA 27 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 3cd6 n ALA 27 Cb 0.00 -2.15 -0.17 0.00 0.00 0.00 0.00 19.45 17.13 3cd6 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cd6 s THR 28 N -1.44 1.86 -0.24 0.00 2.01 -1.26 -0.87 115.64 115.70 3cd6 s THR 28 Ca 0.73 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3cd6 s THR 28 Cb -0.44 -1.65 0.06 0.00 0.01 0.00 0.00 72.50 70.49 3cd6 s THR 28 CO 0.49 0.51 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.97 3cd6 s THR 29 N 0.69 1.71 -0.07 -0.82 2.01 -0.12 -5.00 115.64 114.05 3cd6 s THR 29 Ca -0.11 -1.31 -0.24 0.00 0.31 0.00 0.00 61.69 60.34 3cd6 s THR 29 Cb -0.16 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 3cd6 s THR 29 CO 0.02 -0.05 0.74 -1.00 -0.69 0.00 0.00 174.62 173.63 3cd6 s HIS 30 N 1.32 3.57 -0.03 4.92 3.76 -1.26 -0.63 115.29 126.94 3cd6 s HIS 30 Ca -0.06 1.29 0.06 0.00 -0.15 0.00 0.00 55.06 56.20 3cd6 s HIS 30 Cb -0.19 -2.85 -0.02 0.00 1.11 0.00 0.00 32.58 30.63 3cd6 s HIS 30 CO -0.06 0.05 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.61 3cd6 s PHE 31 N 0.94 2.50 -0.08 1.40 0.40 0.46 -1.55 117.98 122.05 3cd6 s PHE 31 Ca 0.39 -0.31 0.14 0.00 -0.60 0.00 0.00 56.93 56.55 3cd6 s PHE 31 Cb -0.18 -1.55 -0.11 0.00 0.51 0.00 0.00 43.02 41.69 3cd6 s PHE 31 CO 0.19 0.08 1.02 0.00 0.70 0.00 0.00 175.22 177.21 3cd6 s SER 33 N -6.14 0.75 0.17 0.00 1.04 -1.26 -4.32 113.70 103.94 3cd6 s SER 33 Ca -0.01 -1.41 0.03 0.00 0.48 0.00 0.00 55.95 55.03 3cd6 s SER 33 Cb 0.08 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3cd6 s SER 33 CO 0.80 -1.27 1.38 0.77 0.98 0.00 0.00 173.24 175.90 3cd6 h SER 34 N 2.14 0.25 -0.69 7.02 4.64 -2.00 -3.17 113.55 121.75 3cd6 h SER 34 Ca -0.28 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 60.88 3cd6 h SER 34 Cb 1.24 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 3cd6 h SER 34 CO 0.39 1.00 0.42 0.50 -0.87 0.00 0.00 176.83 178.27 3cd6 h LYS 35 N 0.11 0.77 -0.24 4.77 3.64 -1.99 -0.75 116.57 122.88 3cd6 h LYS 35 Ca -0.04 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 3cd6 h LYS 35 Cb 1.49 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3cd6 h LYS 35 CO 0.13 0.51 -0.48 0.00 -2.27 0.00 0.00 179.45 177.34 3cd6 h GLU 37 N 0.52 1.11 -0.26 0.00 5.08 -1.41 -1.65 114.58 117.97 3cd6 h GLU 37 Ca 0.03 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.98 3cd6 h GLU 37 Cb 1.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3cd6 h GLU 37 CO 0.10 0.99 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.82 3cd6 h ASN 38 N 1.05 0.77 -0.06 1.42 2.35 -1.06 -1.59 115.58 118.45 3cd6 h ASN 38 Ca 0.22 -0.51 -0.09 0.00 -0.55 0.00 0.00 56.30 55.37 3cd6 h ASN 38 Cb 0.38 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3cd6 h ASN 38 CO 0.00 1.12 -0.22 0.78 -1.65 0.00 0.00 177.43 177.47 3cd6 h ASN 39 N 0.43 0.46 0.08 5.81 4.21 -1.23 -2.19 115.58 123.13 3cd6 h ASN 39 Ca 0.03 -0.14 -0.15 0.00 1.21 0.00 0.00 56.30 57.24 3cd6 h ASN 39 Cb 0.95 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.02 3cd6 h ASN 39 CO 0.08 0.68 -0.54 0.00 -1.29 0.00 0.00 177.43 176.36 3cd6 h ALA 40 N 1.36 0.74 0.00 -0.83 0.00 -1.23 -2.66 119.26 116.64 3cd6 h ALA 40 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3cd6 h ALA 40 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3cd6 h ALA 40 CO 0.04 0.69 0.00 -0.44 0.00 0.00 0.00 179.25 179.54 3cd6 h ASP 41 N 0.39 0.00 1.43 0.00 3.32 -1.01 -2.96 116.42 117.59 3cd6 h ASP 41 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3cd6 h ASP 41 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3cd6 h ASP 41 CO 0.10 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.80 3cd6 n LEU 42 N -2.85 0.73 0.00 1.55 4.77 -0.85 -4.91 117.00 115.43 3cd6 n LEU 42 Ca 0.03 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3cd6 n LEU 42 Cb 0.44 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3cd6 n LEU 42 CO 0.31 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3cd6 n GLY 43 N 1.33 0.84 3.82 -0.72 0.00 -1.12 -5.08 105.19 104.26 3cd6 n GLY 43 Ca 0.06 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3cd6 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cd6 s ARG 44 N -0.66 4.23 -0.14 1.61 0.52 -1.02 -5.06 118.95 118.43 3cd6 s ARG 44 Ca 0.00 0.81 -0.06 0.00 -0.52 0.00 0.00 55.73 55.97 3cd6 s ARG 44 Cb 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3cd6 s ARG 44 CO 0.00 0.46 0.06 -1.21 0.02 0.00 0.00 175.30 174.63 3cd6 s GLU 45 N -1.77 3.57 0.35 3.54 2.02 -1.26 -4.44 118.70 120.72 3cd6 s GLU 45 Ca 0.39 -0.32 0.14 0.00 0.02 0.00 0.00 54.97 55.20 3cd6 s GLU 45 Cb -0.17 -3.08 1.00 0.00 0.10 0.00 0.00 34.13 31.97 3cd6 s GLU 45 CO 0.21 0.51 1.74 0.00 0.02 0.00 0.00 175.26 177.73 3cd6 h ALA 46 N 5.88 2.00 -0.02 5.21 0.00 -1.94 -2.02 119.26 128.37 3cd6 h ALA 46 Ca -0.45 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3cd6 h ALA 46 Cb 1.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3cd6 h ALA 46 CO 0.63 -0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.30 3cd6 h ARG 47 N 0.48 0.03 0.00 0.00 3.08 -1.91 -2.75 114.38 113.31 3cd6 h ARG 47 Ca 0.64 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 3cd6 h ARG 47 Cb 1.40 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.45 3cd6 h ARG 47 CO -0.42 0.15 -0.31 0.09 -1.07 0.00 0.00 179.97 178.41 3cd6 n ASN 48 N -4.38 0.37 -4.46 7.04 3.02 -0.76 -4.53 115.26 111.55 3cd6 n ASN 48 Ca -0.02 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.21 3cd6 n ASN 48 Cb 0.20 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 3cd6 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cd6 s LEU 49 N -3.24 5.09 0.51 3.41 1.43 -1.04 -4.99 118.68 119.85 3cd6 s LEU 49 Ca 0.11 -0.88 0.25 0.00 -1.03 0.00 0.00 54.13 52.59 3cd6 s LEU 49 Cb 0.17 -2.17 1.35 0.00 0.03 0.00 0.00 46.19 45.57 3cd6 s LEU 49 CO 0.64 -0.45 1.95 -0.33 0.23 0.00 0.00 176.35 178.38 3cd6 h GLU 50 N 8.63 0.08 0.00 1.70 5.08 -1.85 -2.39 114.58 125.84 3cd6 h GLU 50 Ca -0.27 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3cd6 h GLU 50 Cb 1.12 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3cd6 h GLU 50 CO 0.73 0.05 -0.13 0.11 -1.00 0.00 0.00 179.01 178.77 3cd6 h TRP 51 N 0.09 0.00 -3.76 4.33 5.08 -1.94 -3.42 115.95 116.32 3cd6 h TRP 51 Ca 0.33 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.80 3cd6 h TRP 51 Cb 1.19 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.36 3cd6 h TRP 51 CO -0.00 0.13 0.45 0.99 -1.28 0.00 0.00 178.44 178.73 3cd6 s THR 52 N -3.50 3.64 0.41 0.12 2.01 -0.90 -4.98 115.64 112.45 3cd6 s THR 52 Ca 0.02 1.62 0.08 0.00 0.31 0.00 0.00 61.69 63.73 3cd6 s THR 52 Cb 0.08 -4.03 0.27 0.00 0.01 0.00 0.00 72.50 68.84 3cd6 s THR 52 CO 0.62 0.37 2.05 0.44 -0.69 0.00 0.00 174.62 177.42 3cd6 h ASP 53 N 4.05 0.45 -0.61 3.53 5.19 -1.76 -2.49 116.42 124.78 3cd6 h ASP 53 Ca -0.46 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.91 3cd6 h ASP 53 Cb 1.21 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 3cd6 h ASP 53 CO 0.68 0.32 0.26 0.74 -3.12 0.00 0.00 179.24 178.12 3cd6 h THR 54 N 0.53 1.23 -0.01 0.35 2.02 -1.51 -3.07 112.91 112.44 3cd6 h THR 54 Ca 0.17 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 3cd6 h THR 54 Cb 0.02 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3cd6 h THR 54 CO -0.04 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.13 3cd6 h ALA 55 N 1.10 0.02 -0.03 6.16 0.00 -1.63 -3.47 119.26 121.41 3cd6 h ALA 55 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3cd6 h ALA 55 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3cd6 h ALA 55 CO -0.02 -0.39 0.00 2.89 0.00 0.00 0.00 179.25 181.73