#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqs s ASN 2 N 0.00 3.43 0.09 2.61 2.47 -1.26 -4.96 114.94 117.33 1aqs s ASN 2 Ca 0.00 -0.87 0.00 0.00 0.42 0.00 0.00 52.86 52.41 1aqs s ASN 2 Cb 0.00 -1.36 0.00 0.00 -1.45 0.00 0.00 41.25 38.44 1aqs s ASN 2 CO 0.00 -0.10 0.00 1.21 -3.72 0.00 0.00 177.10 174.49 1aqs n GLU 3 N 4.63 0.00 -3.41 0.43 2.13 -1.26 -5.13 120.64 118.03 1aqs n GLU 3 Ca -0.17 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.46 1aqs n GLU 3 Cb 0.47 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.16 1aqs n GLU 3 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1aqs s GLY 4 N -4.14 2.01 0.00 8.31 0.00 -1.26 -4.81 107.32 107.42 1aqs s GLY 4 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1aqs s GLY 4 CO 0.00 -1.60 0.00 -2.39 0.00 0.00 0.00 173.10 169.11 1aqs n HIS 5 N -1.63 0.00 -3.18 1.90 1.44 -1.23 -4.90 115.22 107.61 1aqs n HIS 5 Ca 0.04 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.78 1aqs n HIS 5 Cb 0.60 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.71 1aqs n HIS 5 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1aqs s GLU 6 N 0.13 0.68 -1.04 -1.40 2.02 -1.26 -4.75 118.70 113.09 1aqs s GLU 6 Ca 0.00 0.14 -0.23 0.00 0.02 0.00 0.00 54.97 54.91 1aqs s GLU 6 Cb 0.00 0.17 0.04 0.00 0.10 0.00 0.00 34.13 34.45 1aqs s GLU 6 CO 0.00 -1.11 1.52 0.00 0.02 0.00 0.00 175.26 175.69 1aqs n GLN 8 N 8.84 1.74 -1.61 0.00 1.13 -1.26 -4.74 117.38 121.48 1aqs n GLN 8 Ca 0.35 -0.66 -0.49 0.00 -1.94 0.00 0.00 57.00 54.26 1aqs n GLN 8 Cb 0.50 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 29.26 1aqs n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aqs n GLN 10 N 2.50 2.69 0.00 0.00 7.27 -1.26 -4.19 117.38 124.39 1aqs n GLN 10 Ca 0.17 -2.34 0.00 0.00 0.07 0.00 0.00 57.00 54.90 1aqs n GLN 10 Cb 0.24 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.41 1aqs n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aqs n GLY 12 N 0.00 -0.50 0.71 0.00 0.00 -1.26 -4.11 105.19 100.02 1aqs n GLY 12 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1aqs n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1aqs n SER 13 N -1.91 2.57 -0.09 1.61 2.88 -1.26 -4.18 113.62 113.25 1aqs n SER 13 Ca -0.03 -1.75 -0.10 0.00 -1.33 0.00 0.00 58.87 55.66 1aqs n SER 13 Cb 0.32 -0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.59 1aqs n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aqs h LYS 15 N 0.00 0.00 0.00 0.00 1.57 -1.73 -3.12 116.57 113.29 1aqs h LYS 15 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1aqs h LYS 15 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1aqs h LYS 15 CO -0.02 0.56 -1.17 0.09 -0.57 0.00 0.00 179.45 178.34 1aqs n ASN 16 N -3.68 0.57 -4.20 0.86 4.13 -1.26 -4.70 115.26 106.98 1aqs n ASN 16 Ca -0.01 -0.18 -0.41 0.00 1.68 0.00 0.00 54.58 55.66 1aqs n ASN 16 Cb 0.60 0.95 -0.08 0.00 -1.54 0.00 0.00 39.78 39.72 1aqs n ASN 16 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1aqs s ASN 17 N -4.09 5.78 0.00 6.41 0.01 -1.18 -4.89 114.94 116.98 1aqs s ASN 17 Ca 0.02 -2.27 0.18 0.00 -0.71 0.00 0.00 52.86 50.07 1aqs s ASN 17 Cb 0.14 -2.01 0.73 0.00 0.41 0.00 0.00 41.25 40.52 1aqs s ASN 17 CO 0.82 -0.60 1.51 -1.84 -1.51 0.00 0.00 177.10 175.49 1aqs n GLU 18 N 4.41 1.55 -0.00 -0.60 0.28 -1.26 -3.59 120.64 121.42 1aqs n GLU 18 Ca -0.00 -0.83 0.14 0.00 -0.16 0.00 0.00 57.16 56.31 1aqs n GLU 18 Cb 0.41 -1.33 0.58 0.00 1.43 0.00 0.00 31.44 32.53 1aqs n GLU 18 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1aqs n GLN 19 N 0.07 1.57 0.00 3.44 6.02 -1.26 -3.71 117.38 123.52 1aqs n GLN 19 Ca 0.14 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1aqs n GLN 19 Cb 0.25 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1aqs n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqs n GLN 21 N -0.21 0.91 0.00 0.00 10.64 -1.24 -1.91 117.38 125.56 1aqs n GLN 21 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1aqs n GLN 21 Cb 0.37 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 1aqs n GLN 21 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1aqs n LYS 22 N -0.85 0.02 -2.67 2.61 5.02 -1.26 -2.68 118.16 118.35 1aqs n LYS 22 Ca 0.15 -0.41 -0.04 0.00 -2.02 0.00 0.00 58.31 56.00 1aqs n LYS 22 Cb 0.07 -0.72 0.12 0.00 -0.02 0.00 0.00 35.03 34.49 1aqs n LYS 22 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1aqs n SER 23 N -0.06 -1.63 -4.68 4.39 7.64 -1.14 -3.53 113.62 114.61 1aqs n SER 23 Ca 0.00 -2.30 -0.29 0.00 1.01 0.00 0.00 58.87 57.29 1aqs n SER 23 Cb 0.21 0.81 0.12 0.00 -1.01 0.00 0.00 64.21 64.34 1aqs n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqs n SER 25 N -3.50 6.06 -4.52 0.00 7.64 -1.26 -4.56 113.62 113.48 1aqs n SER 25 Ca 0.10 -3.77 -0.28 0.00 1.01 0.00 0.00 58.87 55.93 1aqs n SER 25 Cb 0.60 -0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 1aqs n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqs n PRO 27 N 0.38 0.22 -1.07 0.00 -0.04 -1.26 -4.89 135.00 128.34 1aqs n PRO 27 Ca -0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.16 1aqs n PRO 27 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1aqs n PRO 27 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1aqs n THR 28 N -1.50 2.91 -1.66 0.52 5.66 -1.26 -3.29 114.28 115.65 1aqs n THR 28 Ca 0.00 -1.94 0.00 0.00 -3.05 0.00 0.00 64.05 59.06 1aqs n THR 28 Cb 0.00 -1.57 0.00 0.00 -1.55 0.00 0.00 70.33 67.21 1aqs n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1aqs n GLY 29 N 1.08 -0.60 2.88 1.09 0.00 -1.26 -4.89 105.19 103.50 1aqs n GLY 29 Ca 0.35 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 1aqs n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqs n ASN 31 N -0.47 4.21 -3.73 0.00 0.23 -1.26 -3.93 115.26 110.32 1aqs n ASN 31 Ca 0.53 -2.53 -0.13 0.00 -0.53 0.00 0.00 54.58 51.91 1aqs n ASN 31 Cb 0.24 -0.50 -0.09 0.00 -2.08 0.00 0.00 39.78 37.34 1aqs n ASN 31 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1aqs s SER 32 N -1.19 -0.36 -0.40 0.53 0.01 -1.26 -4.68 113.70 106.35 1aqs s SER 32 Ca 0.43 0.57 -0.27 0.00 1.31 0.00 0.00 55.95 57.99 1aqs s SER 32 Cb 0.29 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 67.12 1aqs s SER 32 CO 0.18 -0.27 2.08 1.51 0.41 0.00 0.00 173.24 177.15 1aqs s ASP 33 N -0.38 5.27 0.00 2.44 -4.77 -1.26 -4.75 116.67 113.21 1aqs s ASP 33 Ca -0.05 1.20 0.00 0.00 -3.30 0.00 0.00 52.55 50.40 1aqs s ASP 33 Cb -0.03 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1aqs s ASP 33 CO 0.02 -2.22 0.00 -0.90 0.70 0.00 0.00 175.17 172.77 1aqs n ASP 34 N 12.65 0.00 -1.40 2.11 5.68 -1.26 -4.93 116.55 129.40 1aqs n ASP 34 Ca 0.28 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.50 1aqs n ASP 34 Cb 0.50 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.52 1aqs n ASP 34 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1aqs n LYS 35 N 0.00 1.34 -1.49 0.11 5.02 -1.26 -4.88 118.16 117.00 1aqs n LYS 35 Ca 0.00 -0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 55.08 1aqs n LYS 35 Cb 0.00 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 1aqs n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aqs n PRO 37 N 8.55 3.73 0.00 0.00 -0.04 -1.26 -4.96 135.00 141.02 1aqs n PRO 37 Ca 0.51 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1aqs n PRO 37 Cb 0.24 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1aqs n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqs h GLY 39 N -0.30 -0.98 0.00 0.00 0.00 -1.91 -3.43 103.07 96.45 1aqs h GLY 39 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1aqs h GLY 39 CO 0.00 -0.32 0.00 -2.01 0.00 0.00 0.00 176.54 174.21