#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s GLU 5 N 0.00 1.53 -0.06 5.56 2.12 -1.26 -1.63 118.70 124.96 1m90 s GLU 5 Ca 0.00 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 1m90 s GLU 5 Cb 0.00 -1.37 -0.07 0.00 0.26 0.00 0.00 34.13 32.95 1m90 s GLU 5 CO 0.00 0.24 1.99 0.00 -0.54 0.00 0.00 175.26 176.95 1m90 n ASP 7 N 8.74 0.00 0.00 0.00 8.00 -0.75 -1.59 116.55 130.94 1m90 n ASP 7 Ca 0.22 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1m90 n ASP 7 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1m90 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m90 n TYR 8 N -0.85 0.00 0.08 1.24 9.36 -1.26 -4.88 117.16 120.85 1m90 n TYR 8 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.11 1m90 n TYR 8 Cb 0.00 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.58 1m90 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1m90 n GLY 10 N 1.45 2.45 3.70 0.00 0.00 -0.62 -0.17 105.19 112.00 1m90 n GLY 10 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1m90 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m90 s THR 11 N -2.57 2.66 0.16 2.61 -4.23 -1.26 -4.31 115.64 108.69 1m90 s THR 11 Ca 0.00 0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 1m90 s THR 11 Cb 0.00 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 1m90 s THR 11 CO 0.00 -0.28 1.25 -1.81 -0.54 0.00 0.00 174.62 173.24 1m90 s ASP 12 N -3.07 7.00 -0.38 3.99 1.01 -1.26 -1.43 116.67 122.52 1m90 s ASP 12 Ca 0.64 2.25 -0.26 0.00 0.71 0.00 0.00 52.55 55.89 1m90 s ASP 12 Cb -0.20 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.15 1m90 s ASP 12 CO 0.58 -0.47 0.96 -0.63 0.21 0.00 0.00 175.17 175.82 1m90 s ILE 13 N 0.34 4.53 -0.03 0.77 1.01 -0.65 -4.87 121.20 122.31 1m90 s ILE 13 Ca 0.56 1.21 -0.35 0.00 0.00 0.00 0.00 60.65 62.07 1m90 s ILE 13 Cb -0.34 -4.38 -0.14 0.00 0.01 0.00 0.00 42.46 37.62 1m90 s ILE 13 CO 0.35 -0.61 1.71 1.21 0.00 0.00 0.00 174.94 177.60 1m90 n GLU 14 N 6.93 1.88 -1.61 2.79 4.07 -1.26 -4.56 120.64 128.88 1m90 n GLU 14 Ca 0.08 0.68 -0.38 0.00 -0.06 0.00 0.00 57.16 57.48 1m90 n GLU 14 Cb 0.48 -2.46 0.05 0.00 -0.06 0.00 0.00 31.44 29.45 1m90 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1m90 n PRO 15 N 5.05 0.96 -2.87 5.31 -0.04 -1.26 -2.56 135.00 139.59 1m90 n PRO 15 Ca 0.21 0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1m90 n PRO 15 Cb 0.25 -2.13 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 1m90 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m90 n GLY 16 N 1.29 0.16 3.48 0.55 0.00 -1.26 -5.01 105.19 104.40 1m90 n GLY 16 Ca 0.13 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1m90 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m90 s THR 17 N -3.03 0.03 0.00 2.61 2.01 -1.06 -5.17 115.64 111.03 1m90 s THR 17 Ca 0.23 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1m90 s THR 17 Cb -0.10 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.00 1m90 s THR 17 CO 0.29 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1m90 n GLY 18 N -0.34 -0.60 3.22 4.40 0.00 -1.26 -4.88 105.19 105.74 1m90 n GLY 18 Ca -0.12 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1m90 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m90 s THR 19 N -2.02 1.33 -0.18 2.61 2.01 -0.71 -4.98 115.64 113.70 1m90 s THR 19 Ca 0.00 -1.50 0.01 0.00 0.31 0.00 0.00 61.69 60.51 1m90 s THR 19 Cb 0.00 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.19 1m90 s THR 19 CO 0.00 -0.25 -0.19 -0.32 -0.69 0.00 0.00 174.62 173.17 1m90 s MET 20 N -2.09 2.90 -0.28 4.92 1.75 -1.26 -0.28 119.30 124.96 1m90 s MET 20 Ca 0.04 -0.84 -0.12 0.00 -1.25 0.00 0.00 55.69 53.52 1m90 s MET 20 Cb -0.08 -2.56 -0.04 0.00 2.84 0.00 0.00 34.83 34.99 1m90 s MET 20 CO 0.03 -0.23 0.23 0.12 -0.65 0.00 0.00 175.02 174.52 1m90 s PHE 21 N 1.29 3.22 -0.24 4.11 5.36 -0.31 -4.92 117.98 126.49 1m90 s PHE 21 Ca 0.04 0.14 -0.20 0.00 -0.96 0.00 0.00 56.93 55.95 1m90 s PHE 21 Cb -0.13 -2.43 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1m90 s PHE 21 CO -0.12 -0.19 0.63 0.08 -1.46 0.00 0.00 175.22 174.15 1m90 s VAL 22 N 1.81 4.99 0.92 3.12 1.01 -1.26 -1.66 120.40 129.33 1m90 s VAL 22 Ca 0.08 1.14 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 1m90 s VAL 22 Cb -0.16 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.43 1m90 s VAL 22 CO 0.11 0.04 1.13 -1.00 0.00 0.00 0.00 175.10 175.38 1m90 s HIS 23 N 2.39 2.47 0.11 5.22 0.09 0.47 -4.93 115.29 121.11 1m90 s HIS 23 Ca 0.27 0.89 -0.21 0.00 -0.00 0.00 0.00 55.06 56.01 1m90 s HIS 23 Cb -0.16 -3.35 -0.07 0.00 -0.00 0.00 0.00 32.58 29.00 1m90 s HIS 23 CO 0.09 -2.42 1.73 -0.22 -0.00 0.00 0.00 174.74 173.91 1m90 h LYS 24 N -1.54 0.04 0.00 1.40 3.64 -1.97 -2.21 116.57 115.93 1m90 h LYS 24 Ca -0.51 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1m90 h LYS 24 Cb 1.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1m90 h LYS 24 CO 0.61 0.03 0.00 0.38 -2.27 0.00 0.00 179.45 178.20 1m90 h ASP 25 N 0.04 0.00 0.00 4.20 -0.00 -2.04 -3.46 116.42 115.17 1m90 h ASP 25 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1m90 h ASP 25 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.40 1m90 h ASP 25 CO -0.10 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.75 1m90 n GLY 26 N -0.21 2.03 3.50 7.15 0.00 -0.83 -5.10 105.19 111.73 1m90 n GLY 26 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1m90 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 n ALA 27 N -0.19 -1.94 -2.59 4.61 0.00 -1.26 -4.59 120.51 114.55 1m90 n ALA 27 Ca 0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 53.44 52.66 1m90 n ALA 27 Cb 0.00 -1.93 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 1m90 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1m90 s THR 28 N -2.41 1.33 -0.15 0.00 2.01 -1.26 -0.40 115.64 114.76 1m90 s THR 28 Ca 0.61 -1.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1m90 s THR 28 Cb -0.23 -1.19 0.06 0.00 0.01 0.00 0.00 72.50 71.15 1m90 s THR 28 CO 0.64 0.05 0.08 -0.89 -0.69 0.00 0.00 174.62 173.80 1m90 s THR 29 N -0.88 -0.06 -0.03 -0.82 2.01 -0.66 -4.98 115.64 110.21 1m90 s THR 29 Ca 0.04 -0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 1m90 s THR 29 Cb -0.08 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1m90 s THR 29 CO 0.02 -0.20 0.73 -1.00 -0.69 0.00 0.00 174.62 173.47 1m90 s HIS 30 N 2.13 3.64 -0.03 4.92 3.76 -1.26 -1.17 115.29 127.28 1m90 s HIS 30 Ca 0.02 1.33 0.07 0.00 -0.15 0.00 0.00 55.06 56.34 1m90 s HIS 30 Cb -0.15 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 1m90 s HIS 30 CO -0.08 0.16 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.68 1m90 s PHE 31 N 0.48 2.42 -0.31 1.40 0.40 0.62 -1.81 117.98 121.17 1m90 s PHE 31 Ca 0.38 -0.39 0.22 0.00 -0.60 0.00 0.00 56.93 56.54 1m90 s PHE 31 Cb -0.19 -1.53 0.15 0.00 0.51 0.00 0.00 43.02 41.96 1m90 s PHE 31 CO 0.20 0.01 1.33 0.00 0.70 0.00 0.00 175.22 177.45 1m90 s SER 33 N -5.89 0.04 0.04 0.00 1.04 -1.26 -4.34 113.70 103.33 1m90 s SER 33 Ca 0.03 -1.06 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 1m90 s SER 33 Cb 0.07 0.80 -0.17 0.00 0.10 0.00 0.00 66.02 66.82 1m90 s SER 33 CO 0.73 -1.56 1.25 0.77 0.98 0.00 0.00 173.24 175.41 1m90 h SER 34 N 2.02 0.60 -0.84 7.02 4.64 -1.99 -2.95 113.55 122.05 1m90 h SER 34 Ca -0.29 -0.62 0.21 0.00 -0.47 0.00 0.00 61.79 60.62 1m90 h SER 34 Cb 1.25 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 63.02 1m90 h SER 34 CO 0.37 1.11 0.09 0.50 -0.87 0.00 0.00 176.83 178.03 1m90 h LYS 35 N 0.11 0.12 0.23 4.77 3.64 -1.98 0.37 116.57 123.83 1m90 h LYS 35 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1m90 h LYS 35 Cb 1.07 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1m90 h LYS 35 CO 0.09 0.08 -0.11 0.00 -2.27 0.00 0.00 179.45 177.25 1m90 h GLU 37 N -0.78 -0.05 -0.57 0.00 5.08 -1.09 0.71 114.58 117.88 1m90 h GLU 37 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1m90 h GLU 37 Cb 0.51 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1m90 h GLU 37 CO 0.05 -0.04 0.32 -0.91 -1.00 0.00 0.00 179.01 177.44 1m90 h ASN 38 N -0.06 0.71 -0.02 1.42 2.35 -0.31 0.02 115.58 119.69 1m90 h ASN 38 Ca 0.30 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1m90 h ASN 38 Cb 0.52 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1m90 h ASN 38 CO -0.70 0.59 -0.05 0.78 -1.65 0.00 0.00 177.43 176.40 1m90 h ASN 39 N 0.77 0.18 0.10 5.81 4.21 -0.05 -2.47 115.58 124.13 1m90 h ASN 39 Ca 0.20 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.68 1m90 h ASN 39 Cb 0.03 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1m90 h ASN 39 CO -0.03 0.26 -0.05 0.00 -1.29 0.00 0.00 177.43 176.32 1m90 h ALA 40 N 1.77 -0.13 -0.03 -0.83 0.00 0.11 -2.90 119.26 117.24 1m90 h ALA 40 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1m90 h ALA 40 Cb 0.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1m90 h ALA 40 CO 0.01 -0.39 0.14 -0.44 0.00 0.00 0.00 179.25 178.57 1m90 h ASP 41 N -0.49 0.00 0.41 0.00 3.32 -0.62 0.74 116.42 119.77 1m90 h ASP 41 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1m90 h ASP 41 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1m90 h ASP 41 CO 0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 1m90 n LEU 42 N -3.17 0.00 0.00 1.55 4.77 -0.97 -4.88 117.00 114.30 1m90 n LEU 42 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1m90 n LEU 42 Cb 0.21 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1m90 n LEU 42 CO 0.19 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1m90 n GLY 43 N 1.18 0.61 3.80 -0.72 0.00 0.26 -5.04 105.19 105.28 1m90 n GLY 43 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1m90 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m90 s ARG 44 N -0.20 4.38 -0.21 1.61 0.52 -1.11 -5.05 118.95 118.89 1m90 s ARG 44 Ca 0.00 1.11 -0.09 0.00 -0.52 0.00 0.00 55.73 56.24 1m90 s ARG 44 Cb 0.00 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1m90 s ARG 44 CO 0.00 0.24 0.10 -1.21 0.02 0.00 0.00 175.30 174.46 1m90 s GLU 45 N -2.31 4.01 0.47 3.54 2.02 -1.26 -4.48 118.70 120.68 1m90 s GLU 45 Ca 0.51 -0.32 0.33 0.00 0.02 0.00 0.00 54.97 55.51 1m90 s GLU 45 Cb -0.16 -3.35 1.45 0.00 0.10 0.00 0.00 34.13 32.17 1m90 s GLU 45 CO 0.21 0.17 1.67 0.00 0.02 0.00 0.00 175.26 177.33 1m90 h ALA 46 N 7.07 2.92 0.00 5.21 0.00 -1.95 0.17 119.26 132.68 1m90 h ALA 46 Ca -0.38 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1m90 h ALA 46 Cb 1.17 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1m90 h ALA 46 CO 0.69 -1.45 -0.06 0.00 0.00 0.00 0.00 179.25 178.42 1m90 h ARG 47 N 0.11 0.00 -0.02 0.00 3.08 -1.93 -2.09 114.38 113.52 1m90 h ARG 47 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.81 1m90 h ARG 47 Cb 2.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.61 1m90 h ARG 47 CO -0.26 0.06 0.00 0.09 -1.07 0.00 0.00 179.97 178.79 1m90 n ASN 48 N -3.81 2.08 -4.33 7.04 3.02 0.58 -4.51 115.26 115.32 1m90 n ASN 48 Ca -0.02 -1.69 -0.40 0.00 -0.03 0.00 0.00 54.58 52.43 1m90 n ASN 48 Cb 0.15 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.21 1m90 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1m90 s LEU 49 N -1.99 4.74 0.63 3.41 1.43 -0.78 -4.98 118.68 121.13 1m90 s LEU 49 Ca 0.34 -1.13 0.31 0.00 -1.03 0.00 0.00 54.13 52.62 1m90 s LEU 49 Cb 0.21 -1.99 1.69 0.00 0.03 0.00 0.00 46.19 46.13 1m90 s LEU 49 CO 0.32 -0.41 2.00 -0.33 0.23 0.00 0.00 176.35 178.16 1m90 h GLU 50 N 8.39 0.00 0.00 1.70 5.08 -1.86 -0.73 114.58 127.17 1m90 h GLU 50 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1m90 h GLU 50 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1m90 h GLU 50 CO 0.67 0.00 -0.14 0.11 -1.00 0.00 0.00 179.01 178.65 1m90 h TRP 51 N 0.00 0.00 -3.14 4.33 5.08 -1.93 -3.43 115.95 116.86 1m90 h TRP 51 Ca 0.06 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.50 1m90 h TRP 51 Cb 0.67 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.84 1m90 h TRP 51 CO 0.00 0.00 0.61 0.99 -1.28 0.00 0.00 178.44 178.76 1m90 s THR 52 N -3.13 3.83 0.36 0.12 2.01 -0.28 -4.92 115.64 113.62 1m90 s THR 52 Ca 0.09 1.31 0.10 0.00 0.31 0.00 0.00 61.69 63.50 1m90 s THR 52 Cb 0.12 -3.84 0.33 0.00 0.01 0.00 0.00 72.50 69.11 1m90 s THR 52 CO 0.63 0.10 1.86 0.44 -0.69 0.00 0.00 174.62 176.96 1m90 h ASP 53 N 6.79 0.64 0.17 3.53 5.19 -1.80 0.82 116.42 131.76 1m90 h ASP 53 Ca -0.42 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1m90 h ASP 53 Cb 1.21 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1m90 h ASP 53 CO 0.83 0.31 -0.27 0.74 -3.12 0.00 0.00 179.24 177.72 1m90 h THR 54 N 0.67 0.00 -1.00 0.35 2.02 -0.87 -2.12 112.91 111.96 1m90 h THR 54 Ca 0.47 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.83 1m90 h THR 54 Cb 0.80 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.11 1m90 h THR 54 CO -0.22 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.28 1m90 h ALA 55 N -1.17 1.67 0.00 6.16 0.00 -1.44 -3.48 119.26 120.99 1m90 h ALA 55 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1m90 h ALA 55 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1m90 h ALA 55 CO -0.09 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.68