#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s GLU 5 N 0.00 1.89 -0.09 5.56 2.12 -1.26 -0.60 118.70 126.32 1k9m s GLU 5 Ca 0.00 -1.02 -0.30 0.00 0.36 0.00 0.00 54.97 54.01 1k9m s GLU 5 Cb 0.00 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 1k9m s GLU 5 CO 0.00 0.52 1.29 0.00 -0.54 0.00 0.00 175.26 176.53 1k9m n ASP 7 N 5.90 0.00 0.00 0.00 8.00 -0.64 -1.77 116.55 128.04 1k9m n ASP 7 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1k9m n ASP 7 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1k9m n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9m n TYR 8 N -0.93 0.00 0.07 1.24 9.36 -1.26 -4.87 117.16 120.77 1k9m n TYR 8 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1k9m n TYR 8 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 1k9m n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k9m n GLY 10 N 1.34 1.63 3.77 0.00 0.00 -0.73 0.34 105.19 111.54 1k9m n GLY 10 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1k9m n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k9m s THR 11 N -2.43 3.30 0.21 2.61 -4.23 -1.26 -4.41 115.64 109.43 1k9m s THR 11 Ca 0.00 0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 60.66 1k9m s THR 11 Cb 0.00 -2.94 -0.09 0.00 1.34 0.00 0.00 72.50 70.82 1k9m s THR 11 CO 0.00 -0.52 1.25 -1.81 -0.54 0.00 0.00 174.62 173.00 1k9m s ASP 12 N -3.25 6.98 -0.18 3.99 1.01 -1.26 -0.74 116.67 123.23 1k9m s ASP 12 Ca 0.62 2.35 -0.23 0.00 0.71 0.00 0.00 52.55 56.01 1k9m s ASP 12 Cb -0.18 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.12 1k9m s ASP 12 CO 0.54 -0.44 0.71 -0.63 0.21 0.00 0.00 175.17 175.55 1k9m s ILE 13 N -0.13 4.97 0.01 0.77 1.01 0.23 -4.84 121.20 123.22 1k9m s ILE 13 Ca 0.54 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 62.26 1k9m s ILE 13 Cb -0.35 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 1k9m s ILE 13 CO 0.39 0.09 1.89 -0.70 0.00 0.00 0.00 174.94 176.61 1k9m s GLU 14 N 1.93 4.12 0.53 2.79 2.56 -1.26 -4.48 118.70 124.90 1k9m s GLU 14 Ca 0.33 2.49 -0.19 0.00 0.00 0.00 0.00 54.97 57.60 1k9m s GLU 14 Cb -0.16 -4.12 -0.10 0.00 2.00 0.00 0.00 34.13 31.75 1k9m s GLU 14 CO 0.11 -0.96 0.50 -0.35 -0.56 0.00 0.00 175.26 174.01 1k9m n PRO 15 N 7.47 0.52 -3.18 4.30 -0.04 -1.26 -2.23 135.00 140.58 1k9m n PRO 15 Ca 0.19 0.20 -0.20 0.00 -0.04 0.00 0.00 63.50 63.65 1k9m n PRO 15 Cb 0.42 -1.63 0.05 0.00 -0.04 0.00 0.00 33.50 32.30 1k9m n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k9m n GLY 16 N 1.81 -0.35 3.39 0.55 0.00 -1.26 -4.99 105.19 104.34 1k9m n GLY 16 Ca 0.11 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 1k9m n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9m s THR 17 N -3.19 0.03 0.00 2.61 2.01 -0.95 -5.18 115.64 110.98 1k9m s THR 17 Ca 0.39 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1k9m s THR 17 Cb -0.17 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.35 1k9m s THR 17 CO 0.48 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1k9m n GLY 18 N 0.31 0.45 3.12 4.40 0.00 -1.26 -4.79 105.19 107.42 1k9m n GLY 18 Ca -0.18 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 1k9m n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9m s THR 19 N -1.67 1.06 -0.27 2.61 2.01 -0.45 -4.98 115.64 113.94 1k9m s THR 19 Ca 0.00 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 1k9m s THR 19 Cb 0.00 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.59 1k9m s THR 19 CO 0.00 0.14 0.02 -0.32 -0.69 0.00 0.00 174.62 173.77 1k9m s MET 20 N -0.74 3.08 -0.17 4.92 1.75 -1.26 -0.20 119.30 126.68 1k9m s MET 20 Ca 0.03 -0.84 -0.18 0.00 -1.25 0.00 0.00 55.69 53.45 1k9m s MET 20 Cb -0.06 -3.21 -0.04 0.00 2.84 0.00 0.00 34.83 34.36 1k9m s MET 20 CO 0.00 -0.39 0.49 0.12 -0.65 0.00 0.00 175.02 174.60 1k9m s PHE 21 N 1.45 3.42 -0.37 4.11 5.36 -0.26 -4.89 117.98 126.79 1k9m s PHE 21 Ca 0.02 0.80 -0.14 0.00 -0.96 0.00 0.00 56.93 56.65 1k9m s PHE 21 Cb -0.17 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 1k9m s PHE 21 CO -0.00 0.00 0.29 0.08 -1.46 0.00 0.00 175.22 174.13 1k9m s VAL 22 N 1.24 5.25 1.02 3.12 1.01 -1.26 -0.83 120.40 129.94 1k9m s VAL 22 Ca 0.24 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1k9m s VAL 22 Cb -0.15 -3.83 0.20 0.00 0.00 0.00 0.00 36.38 32.59 1k9m s VAL 22 CO 0.10 -0.16 1.08 -1.00 0.00 0.00 0.00 175.10 175.12 1k9m s HIS 23 N 1.77 2.00 0.09 5.22 0.09 0.08 -4.93 115.29 119.60 1k9m s HIS 23 Ca 0.07 1.05 -0.25 0.00 -0.00 0.00 0.00 55.06 55.93 1k9m s HIS 23 Cb -0.18 -3.23 -0.15 0.00 -0.00 0.00 0.00 32.58 29.02 1k9m s HIS 23 CO 0.11 -3.01 1.72 -0.22 -0.00 0.00 0.00 174.74 173.34 1k9m h LYS 24 N -1.98 -0.17 0.00 1.40 3.64 -1.98 -2.50 116.57 114.98 1k9m h LYS 24 Ca -0.55 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1k9m h LYS 24 Cb 1.33 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1k9m h LYS 24 CO 0.56 -0.11 -0.01 0.38 -2.27 0.00 0.00 179.45 178.00 1k9m h ASP 25 N -0.17 0.00 0.00 4.20 -0.00 -2.04 -3.45 116.42 114.95 1k9m h ASP 25 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.01 1k9m h ASP 25 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.47 1k9m h ASP 25 CO 0.02 0.01 0.00 0.61 -0.00 0.00 0.00 179.24 179.89 1k9m n GLY 26 N -1.02 1.41 3.61 7.15 0.00 -0.94 -5.11 105.19 110.29 1k9m n GLY 26 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1k9m n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m n ALA 27 N -0.26 -0.25 -2.35 4.61 0.00 -1.26 -4.63 120.51 116.37 1k9m n ALA 27 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 1k9m n ALA 27 Cb 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 19.45 17.18 1k9m n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k9m s THR 28 N -1.80 2.07 -0.24 0.00 2.01 -1.26 -0.74 115.64 115.68 1k9m s THR 28 Ca 0.73 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 1k9m s THR 28 Cb -0.35 -1.71 0.08 0.00 0.01 0.00 0.00 72.50 70.53 1k9m s THR 28 CO 0.50 0.58 0.07 -0.89 -0.69 0.00 0.00 174.62 174.20 1k9m s THR 29 N -0.57 0.45 -0.02 -0.82 2.01 -0.01 -4.98 115.64 111.69 1k9m s THR 29 Ca 0.09 -0.78 -0.27 0.00 0.31 0.00 0.00 61.69 61.03 1k9m s THR 29 Cb -0.10 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1k9m s THR 29 CO -0.01 -0.44 0.86 -1.00 -0.69 0.00 0.00 174.62 173.35 1k9m s HIS 30 N 1.87 3.63 0.01 4.92 3.76 -1.26 -1.11 115.29 127.11 1k9m s HIS 30 Ca 0.04 1.52 0.06 0.00 -0.15 0.00 0.00 55.06 56.54 1k9m s HIS 30 Cb -0.17 -2.99 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 1k9m s HIS 30 CO -0.18 0.04 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.50 1k9m s PHE 31 N 0.87 2.53 -0.12 1.40 0.40 0.72 -1.62 117.98 122.17 1k9m s PHE 31 Ca 0.46 -0.28 0.16 0.00 -0.60 0.00 0.00 56.93 56.67 1k9m s PHE 31 Cb -0.20 -1.51 -0.07 0.00 0.51 0.00 0.00 43.02 41.76 1k9m s PHE 31 CO 0.24 0.17 1.08 0.00 0.70 0.00 0.00 175.22 177.41 1k9m s SER 33 N -6.08 -0.11 0.26 0.00 1.04 -1.26 -4.16 113.70 103.39 1k9m s SER 33 Ca -0.00 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.58 1k9m s SER 33 Cb 0.08 0.61 0.33 0.00 0.10 0.00 0.00 66.02 67.15 1k9m s SER 33 CO 0.79 -1.18 1.64 0.77 0.98 0.00 0.00 173.24 176.24 1k9m h SER 34 N 2.21 0.42 -0.80 7.02 4.64 -1.99 -2.70 113.55 122.34 1k9m h SER 34 Ca -0.25 -0.18 0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1k9m h SER 34 Cb 1.25 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1k9m h SER 34 CO 0.33 0.79 0.50 0.50 -0.87 0.00 0.00 176.83 178.08 1k9m h LYS 35 N 0.33 0.91 -0.00 4.77 3.64 -1.98 0.48 116.57 124.71 1k9m h LYS 35 Ca 0.03 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1k9m h LYS 35 Cb 0.87 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1k9m h LYS 35 CO 0.07 0.60 -0.47 0.00 -2.27 0.00 0.00 179.45 177.39 1k9m h GLU 37 N -0.25 -0.33 -0.38 0.00 5.08 -1.37 -0.72 114.58 116.62 1k9m h GLU 37 Ca -0.06 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1k9m h GLU 37 Cb 1.19 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1k9m h GLU 37 CO 0.09 -0.22 0.24 -0.91 -1.00 0.00 0.00 179.01 177.22 1k9m h ASN 38 N -0.34 0.44 0.05 1.42 2.35 -0.90 -0.64 115.58 117.96 1k9m h ASN 38 Ca 0.13 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1k9m h ASN 38 Cb 0.55 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1k9m h ASN 38 CO -0.45 0.33 -0.47 0.78 -1.65 0.00 0.00 177.43 175.97 1k9m h ASN 39 N 0.51 0.53 0.15 5.81 4.21 -0.51 -2.95 115.58 123.33 1k9m h ASN 39 Ca 0.14 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 1k9m h ASN 39 Cb -0.04 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.01 1k9m h ASN 39 CO -0.03 0.92 -0.07 0.00 -1.29 0.00 0.00 177.43 176.96 1k9m h ALA 40 N 1.10 -0.20 -0.10 -0.83 0.00 -0.40 -2.83 119.26 116.00 1k9m h ALA 40 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1k9m h ALA 40 Cb 0.97 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1k9m h ALA 40 CO 0.09 -0.43 0.29 -0.44 0.00 0.00 0.00 179.25 178.76 1k9m h ASP 41 N -0.56 0.00 0.67 0.00 3.32 -1.14 1.71 116.42 120.43 1k9m h ASP 41 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1k9m h ASP 41 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1k9m h ASP 41 CO 0.03 0.00 -0.01 0.18 -1.72 0.00 0.00 179.24 177.72 1k9m n LEU 42 N -3.19 0.02 0.00 1.55 4.77 -1.12 -4.89 117.00 114.14 1k9m n LEU 42 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1k9m n LEU 42 Cb 0.38 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1k9m n LEU 42 CO 0.19 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1k9m n GLY 43 N 1.34 0.69 3.84 -0.72 0.00 0.58 -5.05 105.19 105.88 1k9m n GLY 43 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1k9m n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k9m s ARG 44 N -0.35 3.96 -0.17 1.61 0.52 -1.08 -5.03 118.95 118.41 1k9m s ARG 44 Ca 0.00 0.89 -0.04 0.00 -0.52 0.00 0.00 55.73 56.07 1k9m s ARG 44 Cb 0.00 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1k9m s ARG 44 CO 0.00 -0.20 -0.03 -1.21 0.02 0.00 0.00 175.30 173.88 1k9m s GLU 45 N -3.90 3.64 0.50 3.54 2.02 -1.26 -4.46 118.70 118.78 1k9m s GLU 45 Ca 0.58 -0.53 0.36 0.00 0.02 0.00 0.00 54.97 55.40 1k9m s GLU 45 Cb -0.10 -2.94 1.50 0.00 0.10 0.00 0.00 34.13 32.69 1k9m s GLU 45 CO 0.29 0.18 1.70 0.00 0.02 0.00 0.00 175.26 177.45 1k9m h ALA 46 N 6.90 3.09 0.00 5.21 0.00 -1.94 -0.70 119.26 131.82 1k9m h ALA 46 Ca -0.32 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1k9m h ALA 46 Cb 1.19 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1k9m h ALA 46 CO 0.62 -1.56 -0.18 0.00 0.00 0.00 0.00 179.25 178.14 1k9m h ARG 47 N 0.08 0.00 -0.02 0.00 3.08 -1.92 -2.62 114.38 112.99 1k9m h ARG 47 Ca 0.72 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.77 1k9m h ARG 47 Cb 2.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.64 1k9m h ARG 47 CO -0.14 0.18 -0.06 0.09 -1.07 0.00 0.00 179.97 178.96 1k9m n ASN 48 N -3.98 1.67 -4.40 7.04 3.02 -0.27 -4.50 115.26 113.84 1k9m n ASN 48 Ca -0.02 -1.47 -0.37 0.00 -0.03 0.00 0.00 54.58 52.68 1k9m n ASN 48 Cb 0.26 0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.35 1k9m n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k9m s LEU 49 N -2.10 3.68 0.48 3.41 1.43 -0.99 -5.00 118.68 119.60 1k9m s LEU 49 Ca 0.33 -0.46 0.33 0.00 -1.03 0.00 0.00 54.13 53.30 1k9m s LEU 49 Cb 0.20 -1.91 1.55 0.00 0.03 0.00 0.00 46.19 46.06 1k9m s LEU 49 CO 0.37 -0.12 1.98 -0.33 0.23 0.00 0.00 176.35 178.48 1k9m h GLU 50 N 8.25 0.00 0.00 1.70 5.08 -1.86 -2.77 114.58 124.98 1k9m h GLU 50 Ca -0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1k9m h GLU 50 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1k9m h GLU 50 CO 0.60 0.00 -0.61 0.11 -1.00 0.00 0.00 179.01 178.11 1k9m h TRP 51 N 0.00 0.00 -3.59 4.33 5.08 -1.94 -3.43 115.95 116.40 1k9m h TRP 51 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1k9m h TRP 51 Cb 0.26 0.00 0.04 0.00 -3.00 0.00 0.00 29.16 26.46 1k9m h TRP 51 CO 0.00 0.02 0.63 0.99 -1.28 0.00 0.00 178.44 178.80 1k9m s THR 52 N -3.29 3.06 0.44 0.12 2.01 -1.05 -4.92 115.64 112.02 1k9m s THR 52 Ca 0.02 0.95 0.10 0.00 0.31 0.00 0.00 61.69 63.08 1k9m s THR 52 Cb 0.08 -3.61 0.25 0.00 0.01 0.00 0.00 72.50 69.23 1k9m s THR 52 CO 0.74 0.18 2.06 0.44 -0.69 0.00 0.00 174.62 177.35 1k9m h ASP 53 N 4.53 0.30 0.67 3.53 5.19 -1.59 -1.46 116.42 127.58 1k9m h ASP 53 Ca -0.46 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 1k9m h ASP 53 Cb 1.22 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1k9m h ASP 53 CO 0.72 0.26 -0.51 0.74 -3.12 0.00 0.00 179.24 177.33 1k9m h THR 54 N 0.35 0.00 -0.93 0.35 2.02 -0.42 -2.59 112.91 111.68 1k9m h THR 54 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 1k9m h THR 54 Cb 0.03 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.37 1k9m h THR 54 CO -0.01 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.47 1k9m h ALA 55 N -1.04 1.74 0.00 6.16 0.00 -1.59 -3.47 119.26 121.06 1k9m h ALA 55 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1k9m h ALA 55 Cb 0.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1k9m h ALA 55 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82