#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgp s ASP 7 N 0.00 2.72 -0.47 -1.34 2.15 -1.26 -5.03 116.67 113.45 1sgp s ASP 7 Ca 0.00 -0.50 0.03 0.00 0.43 0.00 0.00 52.55 52.51 1sgp s ASP 7 Cb 0.00 -1.21 0.61 0.00 -0.30 0.00 0.00 42.92 42.02 1sgp s ASP 7 CO 0.00 -0.05 1.91 0.00 -0.17 0.00 0.00 175.17 176.86 1sgp h SER 9 N 1.13 0.94 -0.13 0.00 0.02 -1.98 -2.84 113.55 110.69 1sgp h SER 9 Ca 0.61 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1sgp h SER 9 Cb 2.49 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 64.74 1sgp h SER 9 CO 1.15 1.12 0.08 -0.62 -1.14 0.00 0.00 176.83 177.42 1sgp n GLU 10 N -4.11 1.20 -3.85 3.45 1.02 -1.26 -4.81 120.64 112.28 1sgp n GLU 10 Ca 0.00 -0.41 -0.22 0.00 -0.02 0.00 0.00 57.16 56.51 1sgp n GLU 10 Cb 0.45 -1.19 -0.05 0.00 -0.02 0.00 0.00 31.44 30.63 1sgp n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1sgp s TYR 11 N -0.51 2.72 0.86 -0.32 1.51 -1.07 -4.51 117.35 116.04 1sgp s TYR 11 Ca 0.08 -0.45 -0.12 0.00 -1.01 0.00 0.00 57.07 55.57 1sgp s TYR 11 Cb 0.06 -1.93 0.11 0.00 -0.11 0.00 0.00 41.96 40.09 1sgp s TYR 11 CO 0.02 0.11 1.13 -1.25 -1.11 0.00 0.00 175.55 174.44 1sgp s PRO 12 N -3.99 1.56 -0.02 -1.71 0.04 -1.26 -5.03 135.00 124.58 1sgp s PRO 12 Ca 0.43 0.36 0.05 0.00 0.04 0.00 0.00 61.00 61.88 1sgp s PRO 12 Cb -0.02 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1sgp s PRO 12 CO 0.25 -1.93 -0.16 0.15 0.04 0.00 0.00 177.00 175.35 1sgp s LYS 13 N -5.29 1.37 0.37 4.56 3.01 -1.26 -5.04 119.74 117.46 1sgp s LYS 13 Ca 0.63 -0.58 0.27 0.00 -1.01 0.00 0.00 55.97 55.28 1sgp s LYS 13 Cb -0.14 -1.30 1.00 0.00 -1.01 0.00 0.00 37.83 36.37 1sgp s LYS 13 CO 0.53 0.33 1.80 -1.00 0.51 0.00 0.00 175.35 177.52 1sgp h PRO 14 N 5.82 0.00 -3.03 -1.68 0.13 -2.01 -3.45 132.00 127.78 1sgp h PRO 14 Ca -0.35 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.67 1sgp h PRO 14 Cb 1.16 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 1sgp h PRO 14 CO 0.48 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 178.02 1sgp s ALA 15 N -3.39 -0.83 0.03 -0.56 0.00 -1.26 -5.15 121.76 110.61 1sgp s ALA 15 Ca 0.05 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.38 1sgp s ALA 15 Cb 0.09 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1sgp s ALA 15 CO 0.51 -0.31 -0.18 0.00 0.00 0.00 0.00 175.76 175.79 1sgp s THR 17 N -0.73 2.44 -0.31 0.00 -4.23 -1.26 -4.98 115.64 106.56 1sgp s THR 17 Ca 0.06 0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 1sgp s THR 17 Cb -0.08 -2.49 0.46 0.00 1.34 0.00 0.00 72.50 71.72 1sgp s THR 17 CO 0.01 -0.19 1.26 0.00 -0.54 0.00 0.00 174.62 175.17 1sgp n ALA 18 N -4.13 4.99 -2.05 3.99 0.00 -1.26 -4.94 120.51 117.11 1sgp n ALA 18 Ca 0.07 -3.71 -0.30 0.00 0.00 0.00 0.00 53.44 49.49 1sgp n ALA 18 Cb 0.55 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 1sgp n ALA 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1sgp s GLU 19 N -3.58 3.71 -0.31 0.00 1.03 -1.26 -5.05 118.70 113.24 1sgp s GLU 19 Ca 0.51 0.58 -0.07 0.00 0.03 0.00 0.00 54.97 56.01 1sgp s GLU 19 Cb 0.41 -2.25 0.01 0.00 -0.80 0.00 0.00 34.13 31.51 1sgp s GLU 19 CO 0.03 -0.27 0.10 -0.47 -1.33 0.00 0.00 175.26 173.32 1sgp s TYR 20 N -2.74 3.17 -0.39 4.83 5.04 -1.26 -4.53 117.35 121.47 1sgp s TYR 20 Ca 0.53 -0.97 0.04 0.00 -2.44 0.00 0.00 57.07 54.22 1sgp s TYR 20 Cb -0.10 -2.29 0.16 0.00 0.35 0.00 0.00 41.96 40.08 1sgp s TYR 20 CO 0.41 -0.58 0.40 1.03 -1.34 0.00 0.00 175.55 175.47 1sgp s ARG 21 N 1.51 0.72 0.61 4.97 1.81 0.26 -5.04 118.95 123.79 1sgp s ARG 21 Ca 0.02 -1.07 -0.16 0.00 -1.72 0.00 0.00 55.73 52.80 1sgp s ARG 21 Cb -0.18 -0.77 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 1sgp s ARG 21 CO 0.03 -1.24 1.09 -1.25 -0.68 0.00 0.00 175.30 173.26 1sgp s PRO 22 N 1.17 3.13 0.04 3.54 0.04 -1.23 -3.99 135.00 137.69 1sgp s PRO 22 Ca 0.20 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.66 1sgp s PRO 22 Cb -0.12 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1sgp s PRO 22 CO -0.05 -0.99 -0.12 -0.51 0.04 0.00 0.00 177.00 175.37 1sgp s LEU 23 N -4.46 2.19 -0.30 -3.56 1.43 -0.28 -1.12 118.68 112.57 1sgp s LEU 23 Ca 0.67 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1sgp s LEU 23 Cb -0.19 -0.50 -0.00 0.00 0.03 0.00 0.00 46.19 45.53 1sgp s LEU 23 CO 0.36 -0.01 0.12 0.00 0.23 0.00 0.00 176.35 177.04 1sgp s GLY 25 N 1.56 1.62 0.03 0.00 0.00 -0.55 -0.55 107.32 109.42 1sgp s GLY 25 Ca 0.04 -0.48 0.16 0.00 0.00 0.00 0.00 44.72 44.44 1sgp s GLY 25 CO 0.04 -0.07 1.50 -1.14 0.00 0.00 0.00 173.10 173.44 1sgp n SER 26 N -3.10 0.07 -0.86 1.64 3.41 0.50 -1.50 113.62 113.79 1sgp n SER 26 Ca 0.07 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 1sgp n SER 26 Cb 0.59 -0.53 0.23 0.00 -0.26 0.00 0.00 64.21 64.23 1sgp n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sgp n ASP 27 N -1.58 2.50 -0.12 4.04 5.75 -1.26 -4.91 116.55 120.96 1sgp n ASP 27 Ca 0.03 -1.97 -0.02 0.00 -0.01 0.00 0.00 54.79 52.83 1sgp n ASP 27 Cb 0.18 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 39.97 1sgp n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sgp n ASN 28 N 0.86 -4.40 -4.85 -1.12 3.02 -0.57 -4.99 115.26 103.21 1sgp n ASN 28 Ca 0.16 0.04 -0.37 0.00 -0.03 0.00 0.00 54.58 54.38 1sgp n ASN 28 Cb 0.40 -2.04 -0.06 0.00 -0.61 0.00 0.00 39.78 37.47 1sgp n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1sgp s LYS 29 N -1.26 3.53 -0.15 3.52 2.20 -1.26 -4.88 119.74 121.44 1sgp s LYS 29 Ca 0.00 -0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 1sgp s LYS 29 Cb 0.00 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1sgp s LYS 29 CO 0.00 0.71 1.18 0.99 -0.36 0.00 0.00 175.35 177.87 1sgp s THR 30 N -0.82 4.40 -0.10 3.43 2.01 -1.26 -1.49 115.64 121.80 1sgp s THR 30 Ca 0.14 1.69 -0.12 0.00 0.31 0.00 0.00 61.69 63.71 1sgp s THR 30 Cb -0.12 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1sgp s THR 30 CO 0.03 -0.11 0.28 -0.31 -0.69 0.00 0.00 174.62 173.82 1sgp s TYR 31 N 3.05 3.57 0.14 4.92 1.51 0.96 -4.95 117.35 126.55 1sgp s TYR 31 Ca 0.52 0.68 0.25 0.00 -1.01 0.00 0.00 57.07 57.51 1sgp s TYR 31 Cb -0.21 -2.21 0.96 0.00 -0.11 0.00 0.00 41.96 40.40 1sgp s TYR 31 CO 0.15 0.50 1.84 0.78 -1.11 0.00 0.00 175.55 177.71 1sgp h GLY 32 N 5.64 0.00 -1.84 0.71 0.00 -1.88 -0.74 103.07 104.95 1sgp h GLY 32 Ca -0.48 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.91 1sgp h GLY 32 CO 0.67 0.00 0.26 0.54 0.00 0.00 0.00 176.54 178.01 1sgp s ASN 33 N -6.15 -0.20 0.30 0.19 2.20 -1.26 -0.57 114.94 109.45 1sgp s ASN 33 Ca 0.01 -0.70 -0.00 0.00 -0.94 0.00 0.00 52.86 51.22 1sgp s ASN 33 Cb 0.10 0.73 0.47 0.00 -2.00 0.00 0.00 41.25 40.55 1sgp s ASN 33 CO 0.63 -1.38 1.88 0.07 -2.94 0.00 0.00 177.10 175.36 1sgp h LYS 34 N 2.00 0.83 -0.57 3.55 2.10 -1.89 -1.01 116.57 121.58 1sgp h LYS 34 Ca -0.22 -0.13 -0.10 0.00 -2.00 0.00 0.00 60.65 58.20 1sgp h LYS 34 Cb 1.25 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 1sgp h LYS 34 CO 0.27 0.69 -0.03 0.00 -2.00 0.00 0.00 179.45 178.38 1sgp h ASN 36 N 0.91 0.86 -0.18 0.00 4.21 -1.84 -1.39 115.58 118.16 1sgp h ASN 36 Ca 0.16 -0.32 0.00 0.00 1.21 0.00 0.00 56.30 57.35 1sgp h ASN 36 Cb 0.58 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1sgp h ASN 36 CO 0.03 0.97 0.11 0.15 -1.29 0.00 0.00 177.43 177.40 1sgp h PHE 37 N 0.73 0.23 -0.27 1.19 3.57 -0.95 -2.26 116.94 119.18 1sgp h PHE 37 Ca 0.14 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1sgp h PHE 37 Cb 0.54 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1sgp h PHE 37 CO 0.04 0.16 -0.11 0.00 -2.23 0.00 0.00 178.31 176.17 1sgp h ASN 39 N 0.41 0.22 0.62 0.00 2.35 -1.07 -1.72 115.58 116.40 1sgp h ASN 39 Ca 0.08 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.55 1sgp h ASN 39 Cb 0.45 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1sgp h ASN 39 CO 0.03 0.59 -0.86 0.00 -1.65 0.00 0.00 177.43 175.53 1sgp h ALA 40 N 1.42 0.55 -0.57 -0.83 0.00 -0.76 -0.27 119.26 118.80 1sgp h ALA 40 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1sgp h ALA 40 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1sgp h ALA 40 CO 0.06 0.93 0.36 0.28 0.00 0.00 0.00 179.25 180.88 1sgp h VAL 41 N 0.09 1.16 -0.28 0.00 2.07 -0.41 -0.54 116.25 118.34 1sgp h VAL 41 Ca -0.04 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1sgp h VAL 41 Cb 1.49 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1sgp h VAL 41 CO 0.13 0.16 0.14 0.58 0.02 0.00 0.00 177.57 178.61 1sgp h VAL 42 N 0.78 1.14 -0.44 2.57 2.07 -1.13 -1.76 116.25 119.47 1sgp h VAL 42 Ca 0.21 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1sgp h VAL 42 Cb -0.05 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1sgp h VAL 42 CO -0.04 0.14 0.30 -0.08 0.02 0.00 0.00 177.57 177.90 1sgp h GLU 43 N 0.33 0.42 -0.33 1.57 4.81 -0.79 0.26 114.58 120.85 1sgp h GLU 43 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1sgp h GLU 43 Cb 0.09 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1sgp h GLU 43 CO -0.01 0.28 0.00 -1.13 -0.73 0.00 0.00 179.01 177.41 1sgp n SER 44 N -4.48 1.48 -3.57 1.04 3.41 -0.23 -4.88 113.62 106.38 1sgp n SER 44 Ca 0.05 -2.04 -0.25 0.00 -0.26 0.00 0.00 58.87 56.37 1sgp n SER 44 Cb 0.19 -0.22 0.07 0.00 -0.26 0.00 0.00 64.21 63.99 1sgp n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sgp n ASN 45 N 0.21 -6.10 0.00 4.04 5.15 0.92 -2.26 115.26 117.23 1sgp n ASN 45 Ca 0.08 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.52 1sgp n ASN 45 Cb 0.26 -4.82 0.00 0.00 -0.53 0.00 0.00 39.78 34.68 1sgp n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sgp n GLY 46 N -1.90 0.52 0.09 8.20 0.00 -0.73 -4.95 105.19 106.43 1sgp n GLY 46 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1sgp n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sgp n THR 47 N -2.93 0.52 -2.77 2.61 -2.24 -0.96 -4.86 114.28 103.66 1sgp n THR 47 Ca 0.00 -0.55 -0.40 0.00 -2.27 0.00 0.00 64.05 60.83 1sgp n THR 47 Cb 0.00 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 1sgp n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1sgp s LEU 48 N -5.22 4.60 0.35 3.22 2.96 -1.26 -5.04 118.68 118.29 1sgp s LEU 48 Ca -0.02 1.87 0.03 0.00 -0.22 0.00 0.00 54.13 55.79 1sgp s LEU 48 Cb 0.10 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 1sgp s LEU 48 CO 0.81 0.10 0.09 0.42 -1.32 0.00 0.00 176.35 176.46 1sgp s THR 49 N -0.82 0.84 -0.21 3.68 -4.23 -1.26 -4.83 115.64 108.81 1sgp s THR 49 Ca 0.42 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.71 1sgp s THR 49 Cb -0.25 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1sgp s THR 49 CO 0.31 0.00 0.69 -0.22 -0.54 0.00 0.00 174.62 174.86 1sgp s LEU 50 N -3.51 4.13 -0.13 4.79 2.96 -1.26 -0.37 118.68 125.29 1sgp s LEU 50 Ca 0.31 0.90 -0.14 0.00 -0.22 0.00 0.00 54.13 54.98 1sgp s LEU 50 Cb 0.06 -2.98 -0.12 0.00 0.50 0.00 0.00 46.19 43.65 1sgp s LEU 50 CO 0.15 -0.34 0.29 -1.28 -1.32 0.00 0.00 176.35 173.85 1sgp h SER 51 N 7.56 0.00 -5.25 3.68 0.87 -1.05 -3.45 113.55 115.90 1sgp h SER 51 Ca -0.29 -0.43 0.15 0.00 -1.23 0.00 0.00 61.79 59.99 1sgp h SER 51 Cb 1.13 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 1sgp h SER 51 CO 0.80 0.82 0.42 -1.38 -0.53 0.00 0.00 176.83 176.96 1sgp s HIS 52 N -1.96 -0.12 0.39 2.24 0.00 -1.12 -5.03 115.29 109.68 1sgp s HIS 52 Ca -0.12 -0.24 -0.12 0.00 -3.00 0.00 0.00 55.06 51.58 1sgp s HIS 52 Cb -0.00 0.67 -0.07 0.00 -4.00 0.00 0.00 32.58 29.18 1sgp s HIS 52 CO 0.34 -0.96 0.76 -0.06 -1.00 0.00 0.00 174.74 173.83 1sgp s PHE 53 N -3.32 3.45 0.00 0.38 0.08 -1.26 -0.78 117.98 116.53 1sgp s PHE 53 Ca 0.13 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.26 1sgp s PHE 53 Cb -0.03 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 1sgp s PHE 53 CO 0.04 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 1sgp n GLY 54 N -1.08 -0.11 3.80 4.36 0.00 -0.27 -4.75 105.19 107.13 1sgp n GLY 54 Ca 0.03 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1sgp n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgp s LYS 55 N -1.04 3.14 0.00 1.61 1.02 -1.26 -2.23 119.74 120.97 1sgp s LYS 55 Ca 0.00 1.22 0.23 0.00 0.02 0.00 0.00 55.97 57.44 1sgp s LYS 55 Cb 0.00 -2.01 1.37 0.00 -0.52 0.00 0.00 37.83 36.68 1sgp s LYS 55 CO 0.00 -0.96 1.75 0.00 -0.92 0.00 0.00 175.35 175.22