#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s GLU 5 N 0.00 2.45 -0.02 5.56 2.12 -1.26 -1.19 118.70 126.35 1jj2 s GLU 5 Ca 0.00 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 1jj2 s GLU 5 Cb 0.00 -2.13 -0.07 0.00 0.26 0.00 0.00 34.13 32.19 1jj2 s GLU 5 CO 0.00 0.42 1.87 0.00 -0.54 0.00 0.00 175.26 177.00 1jj2 n ASP 7 N 7.72 0.00 0.00 0.00 8.00 -0.47 -2.12 116.55 129.69 1jj2 n ASP 7 Ca 0.20 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1jj2 n ASP 7 Cb 0.42 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1jj2 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jj2 n TYR 8 N -1.03 0.00 0.10 1.24 9.36 -1.26 -4.86 117.16 120.71 1jj2 n TYR 8 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1jj2 n TYR 8 Cb 0.01 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.70 1jj2 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jj2 n GLY 10 N 1.28 3.27 3.65 0.00 0.00 -0.90 0.09 105.19 112.58 1jj2 n GLY 10 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1jj2 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jj2 s THR 11 N -2.86 2.36 0.16 2.61 -4.23 -1.26 -4.41 115.64 108.01 1jj2 s THR 11 Ca 0.00 0.12 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 1jj2 s THR 11 Cb 0.00 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.34 1jj2 s THR 11 CO 0.00 -0.15 1.10 -1.81 -0.54 0.00 0.00 174.62 173.22 1jj2 s ASP 12 N -3.09 7.26 -0.33 3.99 1.01 -1.26 -1.65 116.67 122.61 1jj2 s ASP 12 Ca 0.65 2.06 -0.25 0.00 0.71 0.00 0.00 52.55 55.72 1jj2 s ASP 12 Cb -0.20 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.13 1jj2 s ASP 12 CO 0.59 -0.24 0.89 -0.63 0.21 0.00 0.00 175.17 175.99 1jj2 s ILE 13 N -0.09 4.67 -0.09 0.77 1.01 -0.33 -4.87 121.20 122.26 1jj2 s ILE 13 Ca 0.50 1.30 -0.35 0.00 0.00 0.00 0.00 60.65 62.11 1jj2 s ILE 13 Cb -0.29 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.80 1jj2 s ILE 13 CO 0.34 -0.38 1.84 1.21 0.00 0.00 0.00 174.94 177.95 1jj2 n GLU 14 N 6.51 2.05 -1.56 2.79 4.07 -1.26 -4.55 120.64 128.68 1jj2 n GLU 14 Ca 0.06 0.75 -0.38 0.00 -0.06 0.00 0.00 57.16 57.53 1jj2 n GLU 14 Cb 0.48 -2.57 0.04 0.00 -0.06 0.00 0.00 31.44 29.33 1jj2 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1jj2 n PRO 15 N 6.27 0.81 -3.01 5.31 -0.04 -1.26 -2.50 135.00 140.59 1jj2 n PRO 15 Ca 0.23 0.31 -0.14 0.00 -0.04 0.00 0.00 63.50 63.86 1jj2 n PRO 15 Cb 0.27 -1.99 0.04 0.00 -0.04 0.00 0.00 33.50 31.78 1jj2 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jj2 n GLY 16 N 1.45 0.01 3.38 0.55 0.00 -1.26 -5.01 105.19 104.31 1jj2 n GLY 16 Ca 0.12 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1jj2 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jj2 s THR 17 N -3.10 0.03 0.00 2.61 2.01 -1.04 -5.17 115.64 110.99 1jj2 s THR 17 Ca 0.30 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1jj2 s THR 17 Cb -0.13 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1jj2 s THR 17 CO 0.37 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1jj2 n GLY 18 N -0.02 -0.11 3.16 4.40 0.00 -1.26 -4.85 105.19 106.51 1jj2 n GLY 18 Ca -0.17 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 1jj2 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jj2 s THR 19 N -1.86 1.17 -0.22 2.61 2.01 -0.83 -4.99 115.64 113.52 1jj2 s THR 19 Ca 0.00 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 1jj2 s THR 19 Cb 0.00 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.45 1jj2 s THR 19 CO 0.00 -0.03 -0.09 -0.32 -0.69 0.00 0.00 174.62 173.49 1jj2 s MET 20 N -1.28 3.11 -0.20 4.92 1.75 -1.26 -0.08 119.30 126.25 1jj2 s MET 20 Ca 0.01 -0.79 -0.13 0.00 -1.25 0.00 0.00 55.69 53.53 1jj2 s MET 20 Cb -0.08 -2.89 -0.05 0.00 2.84 0.00 0.00 34.83 34.65 1jj2 s MET 20 CO 0.02 -0.26 0.28 0.12 -0.65 0.00 0.00 175.02 174.53 1jj2 s PHE 21 N 1.38 3.39 -0.31 4.11 5.36 0.03 -4.92 117.98 127.02 1jj2 s PHE 21 Ca 0.04 0.49 -0.14 0.00 -0.96 0.00 0.00 56.93 56.36 1jj2 s PHE 21 Cb -0.15 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.14 1jj2 s PHE 21 CO -0.06 0.12 0.31 0.08 -1.46 0.00 0.00 175.22 174.20 1jj2 s VAL 22 N 0.88 5.22 0.83 3.12 1.01 -1.26 -1.46 120.40 128.75 1jj2 s VAL 22 Ca 0.15 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1jj2 s VAL 22 Cb -0.13 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.62 1jj2 s VAL 22 CO 0.05 0.05 1.09 -1.00 0.00 0.00 0.00 175.10 175.29 1jj2 s HIS 23 N 1.92 2.58 0.19 5.22 0.09 -0.06 -4.92 115.29 120.32 1jj2 s HIS 23 Ca 0.10 1.27 -0.12 0.00 -0.00 0.00 0.00 55.06 56.31 1jj2 s HIS 23 Cb -0.16 -3.11 0.19 0.00 -0.00 0.00 0.00 32.58 29.49 1jj2 s HIS 23 CO 0.11 -2.02 1.77 -0.22 -0.00 0.00 0.00 174.74 174.37 1jj2 h LYS 24 N -1.28 0.43 0.00 1.40 3.64 -1.98 -1.51 116.57 117.28 1jj2 h LYS 24 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1jj2 h LYS 24 Cb 1.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1jj2 h LYS 24 CO 0.56 0.29 0.00 -0.40 -2.27 0.00 0.00 179.45 177.63 1jj2 n ASP 25 N -4.94 0.11 0.00 4.20 3.85 -1.26 -4.86 116.55 113.65 1jj2 n ASP 25 Ca 0.06 0.52 0.00 0.00 -0.71 0.00 0.00 54.79 54.66 1jj2 n ASP 25 Cb 0.19 -0.55 0.00 0.00 -1.35 0.00 0.00 41.12 39.41 1jj2 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jj2 n GLY 26 N 0.21 1.27 3.69 6.12 0.00 -0.57 -5.09 105.19 110.83 1jj2 n GLY 26 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1jj2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 27 N -2.14 1.70 0.00 4.61 0.00 -1.26 -4.69 121.76 119.99 1jj2 s ALA 27 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1jj2 s ALA 27 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1jj2 s ALA 27 CO 0.00 -2.46 -0.19 0.99 0.00 0.00 0.00 175.76 174.10 1jj2 s THR 28 N -2.45 1.49 -0.17 0.00 2.01 -1.26 -0.88 115.64 114.38 1jj2 s THR 28 Ca 0.69 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1jj2 s THR 28 Cb -0.25 -1.26 0.05 0.00 0.01 0.00 0.00 72.50 71.05 1jj2 s THR 28 CO 0.54 0.35 0.03 -0.89 -0.69 0.00 0.00 174.62 173.96 1jj2 s THR 29 N -0.54 0.49 -0.16 -0.82 2.01 -0.53 -4.99 115.64 111.10 1jj2 s THR 29 Ca 0.07 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.44 1jj2 s THR 29 Cb -0.08 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1jj2 s THR 29 CO -0.00 -0.10 0.66 -1.00 -0.69 0.00 0.00 174.62 173.49 1jj2 s HIS 30 N 1.88 3.44 -0.05 4.92 3.76 -1.26 -0.79 115.29 127.20 1jj2 s HIS 30 Ca 0.00 1.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.98 1jj2 s HIS 30 Cb -0.16 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 1jj2 s HIS 30 CO -0.07 -0.10 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.57 1jj2 s PHE 31 N 1.58 2.87 -0.43 1.40 0.40 0.88 -1.36 117.98 123.31 1jj2 s PHE 31 Ca 0.32 -0.04 0.23 0.00 -0.60 0.00 0.00 56.93 56.85 1jj2 s PHE 31 Cb -0.16 -1.66 0.23 0.00 0.51 0.00 0.00 43.02 41.94 1jj2 s PHE 31 CO 0.12 0.31 1.30 0.00 0.70 0.00 0.00 175.22 177.65 1jj2 s SER 33 N -5.16 -0.14 0.17 0.00 1.04 -1.26 -4.40 113.70 103.95 1jj2 s SER 33 Ca 0.04 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.67 1jj2 s SER 33 Cb 0.10 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.95 1jj2 s SER 33 CO 0.73 -1.33 1.46 0.77 0.98 0.00 0.00 173.24 175.85 1jj2 h SER 34 N 2.00 0.74 -0.72 7.02 4.64 -1.99 -2.76 113.55 122.48 1jj2 h SER 34 Ca -0.25 -0.41 0.13 0.00 -0.47 0.00 0.00 61.79 60.79 1jj2 h SER 34 Cb 1.24 -0.21 -0.09 0.00 -0.31 0.00 0.00 62.40 63.03 1jj2 h SER 34 CO 0.30 1.15 0.28 0.50 -0.87 0.00 0.00 176.83 178.20 1jj2 h LYS 35 N 0.50 0.43 -0.09 4.77 3.64 -1.99 0.16 116.57 123.99 1jj2 h LYS 35 Ca 0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1jj2 h LYS 35 Cb 1.15 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1jj2 h LYS 35 CO 0.11 0.29 -0.29 0.00 -2.27 0.00 0.00 179.45 177.29 1jj2 h GLU 37 N -0.10 -0.09 -0.87 0.00 5.08 -1.14 -0.57 114.58 116.89 1jj2 h GLU 37 Ca -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jj2 h GLU 37 Cb 0.92 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1jj2 h GLU 37 CO 0.06 -0.06 0.51 -0.91 -1.00 0.00 0.00 179.01 177.61 1jj2 h ASN 38 N -0.09 1.06 -0.02 1.42 2.35 -0.73 0.70 115.58 120.27 1jj2 h ASN 38 Ca 0.11 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1jj2 h ASN 38 Cb 0.26 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1jj2 h ASN 38 CO -0.26 0.82 -0.14 0.78 -1.65 0.00 0.00 177.43 176.98 1jj2 h ASN 39 N 1.20 0.31 -0.16 5.81 4.21 -0.80 -2.57 115.58 123.58 1jj2 h ASN 39 Ca 0.31 -0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.68 1jj2 h ASN 39 Cb -0.03 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.09 1jj2 h ASN 39 CO -0.06 0.48 -0.19 0.00 -1.29 0.00 0.00 177.43 176.38 1jj2 h ALA 40 N 1.56 0.24 0.00 -0.83 0.00 -0.08 -2.90 119.26 117.24 1jj2 h ALA 40 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jj2 h ALA 40 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jj2 h ALA 40 CO 0.03 0.16 0.03 -0.44 0.00 0.00 0.00 179.25 179.02 1jj2 h ASP 41 N 0.04 0.00 0.19 0.00 3.32 -0.57 0.62 116.42 120.02 1jj2 h ASP 41 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jj2 h ASP 41 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1jj2 h ASP 41 CO 0.04 0.00 -0.02 0.18 -1.72 0.00 0.00 179.24 177.73 1jj2 n LEU 42 N -3.03 0.23 0.00 1.55 4.77 -1.00 -4.89 117.00 114.64 1jj2 n LEU 42 Ca -0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1jj2 n LEU 42 Cb 0.09 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jj2 n LEU 42 CO 0.19 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1jj2 n GLY 43 N 1.13 0.57 3.81 -0.72 0.00 0.22 -5.04 105.19 105.16 1jj2 n GLY 43 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1jj2 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jj2 s ARG 44 N -0.11 4.35 -0.19 1.61 0.52 -1.14 -5.04 118.95 118.95 1jj2 s ARG 44 Ca 0.00 1.15 -0.08 0.00 -0.52 0.00 0.00 55.73 56.28 1jj2 s ARG 44 Cb 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1jj2 s ARG 44 CO 0.00 0.13 0.07 -1.21 0.02 0.00 0.00 175.30 174.31 1jj2 s GLU 45 N -2.66 3.96 0.48 3.54 2.02 -1.26 -4.49 118.70 120.29 1jj2 s GLU 45 Ca 0.56 -0.35 0.31 0.00 0.02 0.00 0.00 54.97 55.51 1jj2 s GLU 45 Cb -0.13 -3.25 1.41 0.00 0.10 0.00 0.00 34.13 32.27 1jj2 s GLU 45 CO 0.18 0.23 1.74 0.00 0.02 0.00 0.00 175.26 177.43 1jj2 h ALA 46 N 6.85 2.86 0.00 5.21 0.00 -1.95 0.42 119.26 132.65 1jj2 h ALA 46 Ca -0.37 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1jj2 h ALA 46 Cb 1.17 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jj2 h ALA 46 CO 0.69 -1.30 -0.04 0.00 0.00 0.00 0.00 179.25 178.60 1jj2 h ARG 47 N 0.13 0.00 -0.06 0.00 3.08 -1.94 -2.08 114.38 113.52 1jj2 h ARG 47 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1jj2 h ARG 47 Cb 2.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.30 1jj2 h ARG 47 CO -0.17 0.04 0.00 0.09 -1.07 0.00 0.00 179.97 178.86 1jj2 n ASN 48 N -4.14 1.83 -4.32 7.04 3.02 0.14 -4.50 115.26 114.33 1jj2 n ASN 48 Ca -0.03 -1.63 -0.40 0.00 -0.03 0.00 0.00 54.58 52.49 1jj2 n ASN 48 Cb 0.13 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 1jj2 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jj2 s LEU 49 N -1.91 4.85 0.66 3.41 1.43 -0.78 -4.99 118.68 121.36 1jj2 s LEU 49 Ca 0.36 -1.22 0.33 0.00 -1.03 0.00 0.00 54.13 52.57 1jj2 s LEU 49 Cb 0.20 -1.99 1.77 0.00 0.03 0.00 0.00 46.19 46.21 1jj2 s LEU 49 CO 0.32 -0.44 2.00 -0.33 0.23 0.00 0.00 176.35 178.13 1jj2 h GLU 50 N 8.40 0.00 0.00 1.70 5.08 -1.86 -0.89 114.58 127.02 1jj2 h GLU 50 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1jj2 h GLU 50 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jj2 h GLU 50 CO 0.70 0.00 -0.34 0.11 -1.00 0.00 0.00 179.01 178.48 1jj2 h TRP 51 N 0.00 0.00 -3.44 4.33 5.08 -1.94 -3.43 115.95 116.56 1jj2 h TRP 51 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1jj2 h TRP 51 Cb 0.55 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.73 1jj2 h TRP 51 CO 0.00 0.00 0.56 0.99 -1.28 0.00 0.00 178.44 178.71 1jj2 s THR 52 N -3.14 3.62 0.30 0.12 2.01 -0.34 -4.93 115.64 113.28 1jj2 s THR 52 Ca 0.08 1.33 -0.00 0.00 0.31 0.00 0.00 61.69 63.41 1jj2 s THR 52 Cb 0.12 -3.85 0.28 0.00 0.01 0.00 0.00 72.50 69.06 1jj2 s THR 52 CO 0.67 0.20 1.92 0.44 -0.69 0.00 0.00 174.62 177.15 1jj2 h ASP 53 N 5.47 0.94 0.00 3.53 5.19 -1.64 0.31 116.42 130.22 1jj2 h ASP 53 Ca -0.44 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1jj2 h ASP 53 Cb 1.21 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.52 1jj2 h ASP 53 CO 0.76 0.62 -0.03 0.74 -3.12 0.00 0.00 179.24 178.21 1jj2 h THR 54 N 1.07 0.00 -1.08 0.35 2.02 -0.66 -1.25 112.91 113.36 1jj2 h THR 54 Ca 0.38 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.86 1jj2 h THR 54 Cb 0.12 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.42 1jj2 h THR 54 CO -0.13 0.00 0.68 0.00 0.37 0.00 0.00 175.52 176.44 1jj2 h ALA 55 N -1.44 2.24 0.00 6.16 0.00 -1.58 -3.49 119.26 121.15 1jj2 h ALA 55 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jj2 h ALA 55 Cb 0.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jj2 h ALA 55 CO -0.02 -0.72 0.00 0.54 0.00 0.00 0.00 179.25 179.05