#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g71 s GLU 5 N 0.00 1.33 -0.06 5.56 2.12 -1.26 -2.10 118.70 124.29 3g71 s GLU 5 Ca 0.00 -0.96 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 3g71 s GLU 5 Cb 0.00 -1.45 -0.05 0.00 0.26 0.00 0.00 34.13 32.89 3g71 s GLU 5 CO 0.00 0.37 1.47 0.00 -0.54 0.00 0.00 175.26 176.55 3g71 n ASP 7 N 6.29 0.00 0.00 0.00 9.92 -0.52 -2.13 116.55 130.11 3g71 n ASP 7 Ca 0.15 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 3g71 n ASP 7 Cb 0.43 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 3g71 n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g71 n TYR 8 N -1.03 0.00 0.06 1.24 9.36 -1.26 -4.90 117.16 120.62 3g71 n TYR 8 Ca 0.05 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.17 3g71 n TYR 8 Cb 0.03 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.75 3g71 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3g71 n GLY 10 N 0.67 0.81 3.90 0.00 0.00 -0.90 -1.60 105.19 108.06 3g71 n GLY 10 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3g71 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g71 s THR 11 N -2.00 3.76 -0.27 2.61 -4.23 -1.26 -4.65 115.64 109.59 3g71 s THR 11 Ca 0.00 0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.50 3g71 s THR 11 Cb 0.00 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.33 3g71 s THR 11 CO 0.00 -0.61 1.05 -1.81 -0.54 0.00 0.00 174.62 172.71 3g71 s ASP 12 N -4.30 7.03 -0.19 3.99 1.01 -1.26 -1.47 116.67 121.47 3g71 s ASP 12 Ca 0.55 1.24 -0.29 0.00 0.71 0.00 0.00 52.55 54.76 3g71 s ASP 12 Cb -0.11 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 3g71 s ASP 12 CO 0.49 -0.76 1.49 -0.63 0.21 0.00 0.00 175.17 175.97 3g71 s ILE 13 N 3.38 3.89 0.05 0.77 1.01 -0.89 -4.95 121.20 124.46 3g71 s ILE 13 Ca 0.44 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.83 3g71 s ILE 13 Cb -0.14 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3g71 s ILE 13 CO 0.10 -0.24 1.97 -0.70 0.00 0.00 0.00 174.94 176.07 3g71 s GLU 14 N 4.18 4.14 0.23 2.79 2.56 -1.26 -4.46 118.70 126.87 3g71 s GLU 14 Ca 0.65 2.63 -0.31 0.00 0.00 0.00 0.00 54.97 57.94 3g71 s GLU 14 Cb -0.24 -4.13 -0.14 0.00 2.00 0.00 0.00 34.13 31.62 3g71 s GLU 14 CO 0.25 -0.95 1.38 -0.35 -0.56 0.00 0.00 175.26 175.02 3g71 n PRO 15 N 7.44 1.94 -0.84 4.30 -0.04 -1.26 -2.41 135.00 144.12 3g71 n PRO 15 Ca 0.20 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 3g71 n PRO 15 Cb 0.41 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3g71 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g71 n GLY 16 N 2.12 0.83 3.22 0.55 0.00 -1.26 -5.06 105.19 105.60 3g71 n GLY 16 Ca 0.12 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 3g71 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g71 s THR 17 N -2.00 0.08 0.00 2.61 2.01 -1.01 -5.16 115.64 112.17 3g71 s THR 17 Ca 0.00 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 3g71 s THR 17 Cb 0.00 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.69 3g71 s THR 17 CO 0.00 -0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.17 3g71 n GLY 18 N 0.82 1.90 3.22 4.40 0.00 -1.26 -4.79 105.19 109.49 3g71 n GLY 18 Ca -0.20 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.60 3g71 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g71 s THR 19 N -2.31 1.44 -0.25 2.61 2.01 -0.89 -5.01 115.64 113.24 3g71 s THR 19 Ca 0.00 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.68 3g71 s THR 19 Cb 0.00 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.24 3g71 s THR 19 CO 0.00 -0.05 -0.10 -0.32 -0.69 0.00 0.00 174.62 173.46 3g71 s MET 20 N -1.61 2.52 -0.16 4.92 1.75 -1.26 -0.37 119.30 125.09 3g71 s MET 20 Ca 0.03 -1.17 -0.16 0.00 -1.25 0.00 0.00 55.69 53.15 3g71 s MET 20 Cb -0.09 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.64 3g71 s MET 20 CO 0.03 -0.48 0.37 0.12 -0.65 0.00 0.00 175.02 174.41 3g71 s PHE 21 N 1.20 3.45 -0.30 4.11 5.36 0.10 -4.94 117.98 126.96 3g71 s PHE 21 Ca -0.04 0.68 -0.10 0.00 -0.96 0.00 0.00 56.93 56.51 3g71 s PHE 21 Cb -0.18 -2.45 -0.02 0.00 -0.34 0.00 0.00 43.02 40.03 3g71 s PHE 21 CO -0.06 0.15 0.16 0.08 -1.46 0.00 0.00 175.22 174.09 3g71 s VAL 22 N 0.74 4.79 0.97 3.12 1.01 -1.26 -1.00 120.40 128.76 3g71 s VAL 22 Ca 0.20 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 3g71 s VAL 22 Cb -0.14 -3.39 0.17 0.00 0.00 0.00 0.00 36.38 33.02 3g71 s VAL 22 CO 0.07 0.13 1.14 -1.00 0.00 0.00 0.00 175.10 175.43 3g71 s HIS 23 N 1.66 2.14 0.17 5.22 0.09 0.32 -4.95 115.29 119.94 3g71 s HIS 23 Ca 0.06 0.80 -0.14 0.00 -0.00 0.00 0.00 55.06 55.77 3g71 s HIS 23 Cb -0.17 -3.42 0.08 0.00 -0.00 0.00 0.00 32.58 29.07 3g71 s HIS 23 CO 0.07 -2.67 1.81 -0.22 -0.00 0.00 0.00 174.74 173.73 3g71 h LYS 24 N -1.72 0.55 -0.14 1.40 3.64 -1.99 -2.80 116.57 115.52 3g71 h LYS 24 Ca -0.50 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.74 3g71 h LYS 24 Cb 1.32 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3g71 h LYS 24 CO 0.57 0.37 -0.35 0.38 -2.27 0.00 0.00 179.45 178.15 3g71 h ASP 25 N 0.57 0.29 0.00 4.20 -0.00 -2.05 -3.46 116.42 115.98 3g71 h ASP 25 Ca 0.19 -0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 3g71 h ASP 25 Cb 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.26 3g71 h ASP 25 CO -0.09 0.63 0.00 0.61 -0.00 0.00 0.00 179.24 180.39 3g71 n GLY 26 N -0.30 0.50 3.74 7.15 0.00 -1.05 -5.13 105.19 110.09 3g71 n GLY 26 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3g71 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g71 n ALA 27 N 0.00 1.62 -3.48 4.61 0.00 -1.26 -4.67 120.51 117.33 3g71 n ALA 27 Ca 0.00 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 3g71 n ALA 27 Cb 0.00 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 16.93 3g71 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g71 s THR 28 N -1.27 2.28 -0.24 0.00 2.01 -1.26 -0.52 115.64 116.64 3g71 s THR 28 Ca 0.70 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.80 3g71 s THR 28 Cb -0.42 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.22 3g71 s THR 28 CO 0.51 0.54 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.99 3g71 s THR 29 N 0.68 1.89 -0.14 -0.82 2.01 -0.17 -5.00 115.64 114.10 3g71 s THR 29 Ca -0.09 -1.35 -0.22 0.00 0.31 0.00 0.00 61.69 60.33 3g71 s THR 29 Cb -0.16 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 3g71 s THR 29 CO 0.01 0.03 0.68 -1.00 -0.69 0.00 0.00 174.62 173.66 3g71 s HIS 30 N 1.25 3.47 -0.02 4.92 3.76 -1.26 -0.72 115.29 126.69 3g71 s HIS 30 Ca -0.06 1.11 0.04 0.00 -0.15 0.00 0.00 55.06 56.00 3g71 s HIS 30 Cb -0.18 -2.82 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 3g71 s HIS 30 CO -0.07 -0.06 -0.12 -0.06 -0.85 0.00 0.00 174.74 173.58 3g71 s PHE 31 N 1.42 2.74 0.03 1.40 0.40 0.50 -1.44 117.98 123.04 3g71 s PHE 31 Ca 0.34 -0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.60 3g71 s PHE 31 Cb -0.17 -1.60 -0.24 0.00 0.51 0.00 0.00 43.02 41.53 3g71 s PHE 31 CO 0.14 0.26 0.95 0.00 0.70 0.00 0.00 175.22 177.26 3g71 s SER 33 N -6.58 0.65 0.24 0.00 1.04 -1.26 -4.27 113.70 103.52 3g71 s SER 33 Ca -0.04 -1.37 0.07 0.00 0.48 0.00 0.00 55.95 55.09 3g71 s SER 33 Cb 0.08 0.62 0.26 0.00 0.10 0.00 0.00 66.02 67.09 3g71 s SER 33 CO 0.83 -1.22 1.56 0.77 0.98 0.00 0.00 173.24 176.16 3g71 h SER 34 N 2.19 0.15 -0.50 7.02 4.64 -2.00 -3.18 113.55 121.87 3g71 h SER 34 Ca -0.28 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 60.99 3g71 h SER 34 Cb 1.24 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3g71 h SER 34 CO 0.39 0.75 0.24 0.50 -0.87 0.00 0.00 176.83 177.84 3g71 h LYS 35 N 0.09 0.46 -0.37 4.77 3.64 -1.99 -1.06 116.57 122.11 3g71 h LYS 35 Ca -0.01 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 3g71 h LYS 35 Cb 1.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3g71 h LYS 35 CO 0.09 0.30 -0.27 0.00 -2.27 0.00 0.00 179.45 177.30 3g71 h GLU 37 N 0.66 0.73 -0.01 0.00 5.08 -1.44 -1.87 114.58 117.73 3g71 h GLU 37 Ca 0.08 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3g71 h GLU 37 Cb 0.80 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3g71 h GLU 37 CO 0.07 0.70 -0.51 -0.91 -1.00 0.00 0.00 179.01 177.36 3g71 h ASN 38 N 0.63 0.03 0.48 1.42 2.35 -1.11 -1.96 115.58 117.42 3g71 h ASN 38 Ca 0.15 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.70 3g71 h ASN 38 Cb 0.27 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3g71 h ASN 38 CO -0.00 0.53 -0.82 0.78 -1.65 0.00 0.00 177.43 176.26 3g71 h ASN 39 N 0.02 0.32 0.12 5.81 4.21 -1.10 -2.93 115.58 122.02 3g71 h ASN 39 Ca -0.00 -0.24 -0.13 0.00 1.21 0.00 0.00 56.30 57.14 3g71 h ASN 39 Cb 0.91 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.00 3g71 h ASN 39 CO 0.07 1.01 -0.45 0.00 -1.29 0.00 0.00 177.43 176.76 3g71 h ALA 40 N 0.98 0.92 0.00 -0.83 0.00 -1.07 -2.65 119.26 116.61 3g71 h ALA 40 Ca -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3g71 h ALA 40 Cb 1.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3g71 h ALA 40 CO 0.13 0.64 -0.09 -0.44 0.00 0.00 0.00 179.25 179.49 3g71 h ASP 41 N 0.33 0.00 -0.03 0.00 3.32 -1.31 -2.55 116.42 116.19 3g71 h ASP 41 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3g71 h ASP 41 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3g71 h ASP 41 CO 0.08 0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.87 3g71 n LEU 42 N -3.18 0.55 -0.04 1.55 4.77 -1.03 -4.88 117.00 114.74 3g71 n LEU 42 Ca 0.01 -0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3g71 n LEU 42 Cb 0.42 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3g71 n LEU 42 CO 0.31 0.10 -0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3g71 n GLY 43 N 0.99 0.45 3.75 -0.72 0.00 -0.96 -5.01 105.19 103.70 3g71 n GLY 43 Ca 0.19 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3g71 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g71 s ARG 44 N -0.60 4.76 -0.20 1.61 0.52 -1.05 -5.05 118.95 118.95 3g71 s ARG 44 Ca 0.00 1.40 -0.09 0.00 -0.52 0.00 0.00 55.73 56.52 3g71 s ARG 44 Cb 0.00 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 3g71 s ARG 44 CO 0.00 0.49 0.10 -1.21 0.02 0.00 0.00 175.30 174.70 3g71 s GLU 45 N -0.99 4.05 0.56 3.54 2.02 -1.26 -4.41 118.70 122.20 3g71 s GLU 45 Ca 0.40 -0.30 0.38 0.00 0.02 0.00 0.00 54.97 55.48 3g71 s GLU 45 Cb -0.25 -3.34 1.52 0.00 0.10 0.00 0.00 34.13 32.16 3g71 s GLU 45 CO 0.30 0.23 1.70 0.00 0.02 0.00 0.00 175.26 177.51 3g71 h ALA 46 N 6.89 3.20 -0.06 5.21 0.00 -1.95 -1.40 119.26 131.15 3g71 h ALA 46 Ca -0.39 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3g71 h ALA 46 Cb 1.16 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3g71 h ALA 46 CO 0.71 -1.67 -0.50 0.00 0.00 0.00 0.00 179.25 177.79 3g71 h ARG 47 N 0.00 0.15 0.00 0.00 3.08 -1.91 -3.21 114.38 112.50 3g71 h ARG 47 Ca 0.62 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.58 3g71 h ARG 47 Cb 2.62 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.67 3g71 h ARG 47 CO -0.01 0.62 0.00 0.09 -1.07 0.00 0.00 179.97 179.61 3g71 n ASN 48 N -3.95 0.50 -4.75 7.04 3.02 -0.53 -4.53 115.26 112.06 3g71 n ASN 48 Ca -0.02 0.55 -0.35 0.00 -0.03 0.00 0.00 54.58 54.73 3g71 n ASN 48 Cb 0.53 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.94 3g71 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g71 s LEU 49 N -3.96 4.23 0.36 3.41 1.43 -1.21 -5.02 118.68 117.92 3g71 s LEU 49 Ca 0.11 0.26 0.15 0.00 -1.03 0.00 0.00 54.13 53.63 3g71 s LEU 49 Cb 0.14 -2.08 0.67 0.00 0.03 0.00 0.00 46.19 44.95 3g71 s LEU 49 CO 0.55 0.22 1.76 -0.33 0.23 0.00 0.00 176.35 178.77 3g71 h GLU 50 N 6.40 0.00 0.00 1.70 5.08 -1.87 -3.25 114.58 122.64 3g71 h GLU 50 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3g71 h GLU 50 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3g71 h GLU 50 CO 0.73 0.42 0.00 0.11 -1.00 0.00 0.00 179.01 179.27 3g71 h TRP 51 N 0.00 0.00 -3.99 4.33 5.08 -1.95 -3.42 115.95 116.00 3g71 h TRP 51 Ca -0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 3g71 h TRP 51 Cb 0.83 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.00 3g71 h TRP 51 CO 0.00 0.00 0.38 0.95 -1.28 0.00 0.00 178.44 178.49 3g71 s THR 52 N -3.50 3.92 0.06 0.12 -4.23 -1.23 -4.96 115.64 105.83 3g71 s THR 52 Ca 0.03 1.39 0.29 0.00 -1.18 0.00 0.00 61.69 62.22 3g71 s THR 52 Cb 0.08 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.58 3g71 s THR 52 CO 0.58 -0.08 1.90 0.44 -0.54 0.00 0.00 174.62 176.92 3g71 h ASP 53 N 2.32 0.00 -0.64 3.99 5.19 -1.69 -2.96 116.42 122.63 3g71 h ASP 53 Ca -0.48 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.85 3g71 h ASP 53 Cb 1.21 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 3g71 h ASP 53 CO 0.62 0.08 0.10 0.74 -3.12 0.00 0.00 179.24 177.66 3g71 h THR 54 N 0.00 1.26 0.29 0.35 2.02 -1.60 -3.29 112.91 111.94 3g71 h THR 54 Ca -0.00 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3g71 h THR 54 Cb 0.64 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3g71 h THR 54 CO 0.01 0.38 -0.14 0.00 0.37 0.00 0.00 175.52 176.14 3g71 h ALA 55 N 1.03 -0.43 -0.01 6.16 0.00 -1.70 -3.47 119.26 120.84 3g71 h ALA 55 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g71 h ALA 55 Cb 0.44 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g71 h ALA 55 CO 0.01 -0.41 0.00 2.89 0.00 0.00 0.00 179.25 181.75