#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s GLU 5 N 0.00 2.33 -0.00 5.56 2.12 -1.26 -0.77 118.70 126.67 1q81 s GLU 5 Ca 0.00 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 1q81 s GLU 5 Cb 0.00 -1.92 -0.07 0.00 0.26 0.00 0.00 34.13 32.40 1q81 s GLU 5 CO 0.00 0.26 1.64 0.00 -0.54 0.00 0.00 175.26 176.62 1q81 n ASP 7 N 6.41 0.12 0.03 0.00 8.00 -0.70 -1.07 116.55 129.34 1q81 n ASP 7 Ca 0.16 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1q81 n ASP 7 Cb 0.42 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1q81 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 n TYR 8 N -0.05 -0.14 -0.02 1.24 9.36 -1.26 -4.87 117.16 121.42 1q81 n TYR 8 Ca 0.00 0.02 -0.12 0.00 3.32 0.00 0.00 57.90 61.12 1q81 n TYR 8 Cb 0.03 0.06 -0.14 0.00 -0.63 0.00 0.00 39.34 38.66 1q81 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1q81 n GLY 10 N 1.71 0.55 3.74 0.00 0.00 -0.23 0.36 105.19 111.32 1q81 n GLY 10 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1q81 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q81 s THR 11 N -2.00 2.94 -0.19 2.61 -4.23 -1.26 -4.42 115.64 109.08 1q81 s THR 11 Ca 0.00 0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 1q81 s THR 11 Cb 0.00 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 1q81 s THR 11 CO 0.00 -0.40 1.31 -1.81 -0.54 0.00 0.00 174.62 173.18 1q81 s ASP 12 N -3.20 6.85 0.06 3.99 1.01 -1.26 -1.21 116.67 122.92 1q81 s ASP 12 Ca 0.63 1.62 -0.30 0.00 0.71 0.00 0.00 52.55 55.20 1q81 s ASP 12 Cb -0.19 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.15 1q81 s ASP 12 CO 0.57 -0.86 1.18 -0.63 0.21 0.00 0.00 175.17 175.64 1q81 s ILE 13 N 3.79 4.08 -0.01 0.77 1.01 0.05 -4.91 121.20 125.98 1q81 s ILE 13 Ca 0.57 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 62.43 1q81 s ILE 13 Cb -0.21 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 1q81 s ILE 13 CO 0.18 0.13 1.61 -0.70 0.00 0.00 0.00 174.94 176.16 1q81 s GLU 14 N 0.96 4.20 0.40 2.79 2.56 -1.26 -4.40 118.70 123.95 1q81 s GLU 14 Ca 0.58 2.20 -0.24 0.00 0.00 0.00 0.00 54.97 57.51 1q81 s GLU 14 Cb -0.29 -3.80 -0.12 0.00 2.00 0.00 0.00 34.13 31.92 1q81 s GLU 14 CO 0.30 -0.77 0.71 -0.35 -0.56 0.00 0.00 175.26 174.59 1q81 n PRO 15 N 6.36 0.80 -1.94 4.30 -0.04 -1.26 -1.50 135.00 141.72 1q81 n PRO 15 Ca 0.16 0.29 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1q81 n PRO 15 Cb 0.42 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1q81 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q81 n GLY 16 N 1.59 0.38 3.12 0.55 0.00 -1.26 -4.99 105.19 104.58 1q81 n GLY 16 Ca 0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1q81 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q81 s THR 17 N -2.60 0.04 0.00 2.61 2.01 -0.56 -5.15 115.64 111.99 1q81 s THR 17 Ca 0.00 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1q81 s THR 17 Cb 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1q81 s THR 17 CO 0.00 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 1q81 n GLY 18 N 2.10 2.60 3.23 4.40 0.00 -1.26 -4.65 105.19 111.61 1q81 n GLY 18 Ca -0.18 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 1q81 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q81 s THR 19 N -2.91 1.65 -0.24 2.61 2.01 -0.07 -4.97 115.64 113.72 1q81 s THR 19 Ca 0.00 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 1q81 s THR 19 Cb 0.00 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1q81 s THR 19 CO 0.00 0.39 0.01 -0.32 -0.69 0.00 0.00 174.62 174.01 1q81 s MET 20 N -0.68 3.42 -0.24 4.92 1.75 -1.26 -0.22 119.30 126.98 1q81 s MET 20 Ca 0.08 -0.62 -0.13 0.00 -1.25 0.00 0.00 55.69 53.78 1q81 s MET 20 Cb -0.08 -3.17 -0.04 0.00 2.84 0.00 0.00 34.83 34.37 1q81 s MET 20 CO -0.00 -0.24 0.27 0.12 -0.65 0.00 0.00 175.02 174.52 1q81 s PHE 21 N 1.53 3.30 -0.28 4.11 5.36 -0.03 -4.92 117.98 127.06 1q81 s PHE 21 Ca 0.05 0.35 -0.19 0.00 -0.96 0.00 0.00 56.93 56.18 1q81 s PHE 21 Cb -0.15 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1q81 s PHE 21 CO -0.00 -0.04 0.58 0.08 -1.46 0.00 0.00 175.22 174.38 1q81 s VAL 22 N 1.42 5.00 0.94 3.12 1.01 -1.26 -1.29 120.40 129.35 1q81 s VAL 22 Ca 0.12 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 62.89 1q81 s VAL 22 Cb -0.15 -3.92 0.16 0.00 0.00 0.00 0.00 36.38 32.47 1q81 s VAL 22 CO 0.07 -0.01 1.11 -1.00 0.00 0.00 0.00 175.10 175.27 1q81 s HIS 23 N 2.46 2.35 0.10 5.22 0.09 0.19 -4.93 115.29 120.76 1q81 s HIS 23 Ca 0.24 0.94 -0.31 0.00 -0.00 0.00 0.00 55.06 55.92 1q81 s HIS 23 Cb -0.15 -3.32 -0.13 0.00 -0.00 0.00 0.00 32.58 28.98 1q81 s HIS 23 CO 0.10 -2.57 1.61 -0.22 -0.00 0.00 0.00 174.74 173.66 1q81 h LYS 24 N -1.65 -0.69 -0.03 1.40 3.64 -1.98 -2.22 116.57 115.05 1q81 h LYS 24 Ca -0.52 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1q81 h LYS 24 Cb 1.33 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1q81 h LYS 24 CO 0.60 -0.46 0.10 0.38 -2.27 0.00 0.00 179.45 177.80 1q81 h ASP 25 N -0.71 0.00 0.00 4.20 -0.00 -2.04 -3.45 116.42 114.42 1q81 h ASP 25 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.01 1q81 h ASP 25 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.98 1q81 h ASP 25 CO -0.07 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.78 1q81 n GLY 26 N -1.20 1.62 3.53 7.15 0.00 -0.83 -5.12 105.19 110.34 1q81 n GLY 26 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1q81 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 n ALA 27 N 0.00 -1.74 -3.04 4.61 0.00 -1.26 -4.55 120.51 114.53 1q81 n ALA 27 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 1q81 n ALA 27 Cb 0.00 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.31 1q81 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q81 s THR 28 N -2.46 1.27 -0.16 0.00 2.01 -1.26 0.54 115.64 115.58 1q81 s THR 28 Ca 0.62 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1q81 s THR 28 Cb -0.23 -1.11 0.05 0.00 0.01 0.00 0.00 72.50 71.22 1q81 s THR 28 CO 0.63 0.37 0.03 -0.89 -0.69 0.00 0.00 174.62 174.07 1q81 s THR 29 N 0.19 0.47 -0.44 -0.82 2.01 -0.41 -4.98 115.64 111.66 1q81 s THR 29 Ca -0.06 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.36 1q81 s THR 29 Cb -0.12 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1q81 s THR 29 CO 0.02 -0.07 0.76 -1.00 -0.69 0.00 0.00 174.62 173.64 1q81 s HIS 30 N 1.90 3.01 -0.06 4.92 3.76 -1.26 -0.85 115.29 126.71 1q81 s HIS 30 Ca 0.01 0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 54.96 1q81 s HIS 30 Cb -0.16 -3.59 -0.05 0.00 1.11 0.00 0.00 32.58 29.90 1q81 s HIS 30 CO -0.07 -0.95 0.29 -0.06 -0.85 0.00 0.00 174.74 173.10 1q81 s PHE 31 N 3.19 3.66 -0.18 1.40 0.40 0.69 -1.73 117.98 125.41 1q81 s PHE 31 Ca 0.29 0.78 0.18 0.00 -0.60 0.00 0.00 56.93 57.58 1q81 s PHE 31 Cb -0.13 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 1q81 s PHE 31 CO 0.22 0.66 1.08 0.00 0.70 0.00 0.00 175.22 177.88 1q81 s SER 33 N -5.86 -0.14 0.23 0.00 1.04 -1.26 -4.33 113.70 103.38 1q81 s SER 33 Ca 0.00 -0.53 -0.07 0.00 0.48 0.00 0.00 55.95 55.83 1q81 s SER 33 Cb 0.08 0.48 0.20 0.00 0.10 0.00 0.00 66.02 66.88 1q81 s SER 33 CO 0.78 -0.91 1.84 0.77 0.98 0.00 0.00 173.24 176.70 1q81 h SER 34 N 2.39 1.11 -0.51 7.02 4.64 -1.99 -2.46 113.55 123.75 1q81 h SER 34 Ca -0.32 -0.11 0.10 0.00 -0.47 0.00 0.00 61.79 60.99 1q81 h SER 34 Cb 1.25 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 62.97 1q81 h SER 34 CO 0.45 0.91 0.01 0.50 -0.87 0.00 0.00 176.83 177.83 1q81 h LYS 35 N 1.23 0.12 0.01 4.77 3.64 -1.97 0.12 116.57 124.49 1q81 h LYS 35 Ca 0.31 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1q81 h LYS 35 Cb 0.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1q81 h LYS 35 CO -0.05 0.08 -0.01 0.00 -2.27 0.00 0.00 179.45 177.21 1q81 h GLU 37 N -0.55 -0.03 0.00 0.00 5.08 -1.11 0.18 114.58 118.15 1q81 h GLU 37 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1q81 h GLU 37 Cb 0.54 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1q81 h GLU 37 CO 0.00 -0.02 -0.14 -0.91 -1.00 0.00 0.00 179.01 176.94 1q81 h ASN 38 N -0.03 0.00 0.41 1.42 2.35 -0.71 0.42 115.58 119.45 1q81 h ASN 38 Ca 0.31 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.82 1q81 h ASN 38 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1q81 h ASN 38 CO -0.70 0.14 -1.04 0.78 -1.65 0.00 0.00 177.43 174.96 1q81 h ASN 39 N 0.00 0.52 -0.05 5.81 4.21 0.67 -3.19 115.58 123.55 1q81 h ASN 39 Ca -0.00 -0.45 -0.00 0.00 1.21 0.00 0.00 56.30 57.05 1q81 h ASN 39 Cb 0.47 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1q81 h ASN 39 CO 0.02 1.28 0.01 0.00 -1.29 0.00 0.00 177.43 177.45 1q81 h ALA 40 N 0.67 0.06 -0.01 -0.83 0.00 -0.04 -2.70 119.26 116.41 1q81 h ALA 40 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1q81 h ALA 40 Cb 1.71 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1q81 h ALA 40 CO 0.18 -0.34 0.12 -0.44 0.00 0.00 0.00 179.25 178.78 1q81 h ASP 41 N -0.12 0.00 1.31 0.00 3.32 -1.00 0.63 116.42 120.56 1q81 h ASP 41 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1q81 h ASP 41 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1q81 h ASP 41 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1q81 n LEU 42 N -3.05 0.56 0.00 1.55 4.77 -1.03 -4.91 117.00 114.89 1q81 n LEU 42 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1q81 n LEU 42 Cb 0.19 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1q81 n LEU 42 CO 0.18 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1q81 n GLY 43 N 1.31 0.85 3.86 -0.72 0.00 0.22 -5.08 105.19 105.64 1q81 n GLY 43 Ca 0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1q81 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q81 s ARG 44 N -0.70 3.75 -0.19 1.61 0.52 -1.15 -5.04 118.95 117.75 1q81 s ARG 44 Ca 0.00 0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 55.93 1q81 s ARG 44 Cb 0.00 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.29 1q81 s ARG 44 CO 0.00 -0.35 -0.09 -1.21 0.02 0.00 0.00 175.30 173.68 1q81 s GLU 45 N -4.53 3.32 0.54 3.54 2.02 -1.26 -4.53 118.70 117.80 1q81 s GLU 45 Ca 0.55 -0.67 0.44 0.00 0.02 0.00 0.00 54.97 55.32 1q81 s GLU 45 Cb -0.10 -2.86 1.52 0.00 0.10 0.00 0.00 34.13 32.78 1q81 s GLU 45 CO 0.41 -0.11 1.44 0.00 0.02 0.00 0.00 175.26 177.02 1q81 n ALA 46 N 4.50 1.66 0.29 5.21 0.00 -1.26 -0.09 120.51 130.82 1q81 n ALA 46 Ca -0.19 0.57 0.18 0.00 0.00 0.00 0.00 53.44 54.00 1q81 n ALA 46 Cb 0.51 -1.00 0.76 0.00 0.00 0.00 0.00 19.45 19.72 1q81 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q81 h ARG 47 N 0.00 0.00 -0.40 0.00 3.08 -1.90 -2.72 114.38 112.45 1q81 h ARG 47 Ca 0.82 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.87 1q81 h ARG 47 Cb 3.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.52 1q81 h ARG 47 CO -0.01 0.01 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1q81 n ASN 48 N -3.11 3.45 -4.36 7.04 3.02 0.87 -4.53 115.26 117.65 1q81 n ASN 48 Ca 0.00 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.20 1q81 n ASN 48 Cb 0.27 -0.26 -0.13 0.00 -0.61 0.00 0.00 39.78 39.05 1q81 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q81 s LEU 49 N -1.47 3.19 0.58 3.41 1.43 -1.02 -4.99 118.68 119.80 1q81 s LEU 49 Ca 0.39 -0.38 0.36 0.00 -1.03 0.00 0.00 54.13 53.48 1q81 s LEU 49 Cb 0.23 -1.81 1.61 0.00 0.03 0.00 0.00 46.19 46.24 1q81 s LEU 49 CO 0.32 -0.05 2.07 -0.33 0.23 0.00 0.00 176.35 178.59 1q81 h GLU 50 N 8.17 0.00 0.00 1.70 5.08 -1.87 -2.65 114.58 125.00 1q81 h GLU 50 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1q81 h GLU 50 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1q81 h GLU 50 CO 0.59 0.00 -0.15 -2.67 -1.00 0.00 0.00 179.01 175.79 1q81 n TRP 51 N -3.10 0.72 -2.53 4.33 4.27 -1.26 -4.63 117.44 115.24 1q81 n TRP 51 Ca -0.00 0.21 -0.42 0.00 -3.89 0.00 0.00 57.50 53.40 1q81 n TRP 51 Cb 0.25 -0.81 -0.03 0.00 -1.36 0.00 0.00 31.31 29.36 1q81 n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1q81 s THR 52 N -3.10 4.15 0.44 -1.67 2.01 -1.00 -4.92 115.64 111.55 1q81 s THR 52 Ca 0.10 1.67 0.16 0.00 0.31 0.00 0.00 61.69 63.93 1q81 s THR 52 Cb 0.13 -4.07 0.35 0.00 0.01 0.00 0.00 72.50 68.93 1q81 s THR 52 CO 0.62 0.20 1.94 0.44 -0.69 0.00 0.00 174.62 177.13 1q81 h ASP 53 N 6.05 0.34 0.24 3.53 5.19 -1.86 0.36 116.42 130.27 1q81 h ASP 53 Ca -0.43 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1q81 h ASP 53 Cb 1.21 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 1q81 h ASP 53 CO 0.76 0.19 -0.22 0.74 -3.12 0.00 0.00 179.24 177.58 1q81 h THR 54 N 0.37 0.52 -0.74 0.35 2.02 -0.39 -2.39 112.91 112.66 1q81 h THR 54 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 1q81 h THR 54 Cb 0.78 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1q81 h THR 54 CO -0.09 0.00 0.39 0.00 0.37 0.00 0.00 175.52 176.19 1q81 h ALA 55 N 0.21 1.30 0.00 6.16 0.00 -1.31 -3.46 119.26 122.15 1q81 h ALA 55 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q81 h ALA 55 Cb 0.45 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1q81 h ALA 55 CO -0.04 0.56 0.00 0.54 0.00 0.00 0.00 179.25 180.31