#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqs n ASN 2 N 0.00 0.00 -3.32 1.08 3.02 -1.26 -5.09 115.26 109.69 1aqs n ASN 2 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1aqs n ASN 2 Cb 0.00 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 1aqs n ASN 2 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1aqs s GLU 3 N -1.05 0.39 0.39 3.52 2.02 -1.26 -5.16 118.70 117.55 1aqs s GLU 3 Ca 0.00 0.60 -0.07 0.00 0.02 0.00 0.00 54.97 55.52 1aqs s GLU 3 Cb 0.00 -0.30 0.09 0.00 0.10 0.00 0.00 34.13 34.02 1aqs s GLU 3 CO 0.00 -0.65 0.45 0.41 0.02 0.00 0.00 175.26 175.49 1aqs n GLY 4 N 5.38 -1.77 0.00 -1.39 0.00 -1.26 -4.98 105.19 101.16 1aqs n GLY 4 Ca -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1aqs n GLY 4 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aqs n HIS 5 N -2.94 0.00 -3.16 1.61 1.44 -1.26 -4.97 115.22 105.94 1aqs n HIS 5 Ca 0.06 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.80 1aqs n HIS 5 Cb 0.21 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.32 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 0.00 0.62 -1.21 -1.40 2.02 -1.26 -4.96 118.70 112.51 1aqs s GLU 6 Ca 0.00 0.32 -0.11 0.00 0.02 0.00 0.00 54.97 55.19 1aqs s GLU 6 Cb 0.00 0.20 0.20 0.00 0.10 0.00 0.00 34.13 34.63 1aqs s GLU 6 CO 0.00 -1.07 1.51 0.00 0.02 0.00 0.00 175.26 175.72 1aqs n GLN 8 N 4.46 0.99 -1.51 0.00 0.00 -1.26 -4.74 117.38 115.32 1aqs n GLN 8 Ca 0.35 0.00 -0.56 0.00 0.00 0.00 0.00 57.00 56.79 1aqs n GLN 8 Cb 0.40 -1.12 -0.07 0.00 0.00 0.00 0.00 30.24 29.45 1aqs n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aqs n GLN 10 N 1.67 2.69 0.00 0.00 6.02 -1.26 -4.00 117.38 122.50 1aqs n GLN 10 Ca 0.19 -2.60 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 1aqs n GLN 10 Cb 0.13 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1aqs n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqs n GLY 12 N 0.00 -0.58 0.61 0.00 0.00 -1.26 -4.06 105.19 99.89 1aqs n GLY 12 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.80 1aqs n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aqs n SER 13 N -2.01 2.39 -0.09 1.61 7.64 -1.26 -4.15 113.62 117.75 1aqs n SER 13 Ca -0.04 -1.67 -0.11 0.00 1.01 0.00 0.00 58.87 58.05 1aqs n SER 13 Cb 0.40 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.43 1aqs n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqs h LYS 15 N 0.00 0.42 0.00 0.00 1.57 -1.71 -3.38 116.57 113.47 1aqs h LYS 15 Ca -0.43 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1aqs h LYS 15 Cb 1.80 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1aqs h LYS 15 CO -0.03 0.90 0.00 -1.71 -0.57 0.00 0.00 179.45 178.05 1aqs n ASN 16 N -3.90 0.00 -4.56 0.86 5.15 -1.26 -4.70 115.26 106.85 1aqs n ASN 16 Ca -0.03 0.28 -0.37 0.00 -0.60 0.00 0.00 54.58 53.85 1aqs n ASN 16 Cb 0.64 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 39.46 1aqs n ASN 16 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1aqs s ASN 17 N -2.82 4.68 -0.00 1.20 3.84 -1.23 -4.76 114.94 115.84 1aqs s ASN 17 Ca 0.00 1.12 0.12 0.00 0.21 0.00 0.00 52.86 54.31 1aqs s ASN 17 Cb 0.00 -2.51 0.34 0.00 -0.55 0.00 0.00 41.25 38.53 1aqs s ASN 17 CO 0.00 -2.69 1.28 -0.62 -2.79 0.00 0.00 177.10 172.28 1aqs n GLU 18 N 8.98 1.91 -0.02 0.43 1.02 -1.26 -3.88 120.64 127.83 1aqs n GLU 18 Ca 0.34 -1.38 0.12 0.00 -0.02 0.00 0.00 57.16 56.22 1aqs n GLU 18 Cb 0.53 -1.31 0.62 0.00 -0.02 0.00 0.00 31.44 31.25 1aqs n GLU 18 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1aqs n GLN 19 N 0.61 1.31 -0.27 3.49 7.27 -1.26 -3.48 117.38 125.05 1aqs n GLN 19 Ca 0.13 -0.46 0.04 0.00 0.07 0.00 0.00 57.00 56.78 1aqs n GLN 19 Cb 0.33 -1.41 0.06 0.00 2.41 0.00 0.00 30.24 31.63 1aqs n GLN 19 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aqs n GLN 21 N -0.66 1.56 0.00 0.00 1.13 -1.23 -2.51 117.38 115.67 1aqs n GLN 21 Ca 0.07 -0.83 0.00 0.00 -1.94 0.00 0.00 57.00 54.30 1aqs n GLN 21 Cb 0.65 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.61 1aqs n GLN 21 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1aqs n LYS 22 N 0.05 0.44 -2.67 -1.09 5.02 -1.26 -3.40 118.16 115.25 1aqs n LYS 22 Ca 0.16 -0.55 -0.03 0.00 -2.02 0.00 0.00 58.31 55.87 1aqs n LYS 22 Cb 0.27 -0.65 0.13 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.09 -1.53 -4.79 4.39 7.64 -1.24 -4.39 113.62 113.61 1aqs n SER 23 Ca 0.00 -2.25 -0.36 0.00 1.01 0.00 0.00 58.87 57.28 1aqs n SER 23 Cb 0.33 0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 64.20 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 0.12 7.42 -4.31 0.00 3.41 -1.26 -4.55 113.62 114.45 1aqs n SER 25 Ca 0.04 -3.72 -0.28 0.00 -0.26 0.00 0.00 58.87 54.66 1aqs n SER 25 Cb 0.51 -1.13 -0.14 0.00 -0.26 0.00 0.00 64.21 63.20 1aqs n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqs n PRO 27 N 1.64 0.10 -1.15 0.00 -0.04 -1.26 -4.91 135.00 129.38 1aqs n PRO 27 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1aqs n PRO 27 Cb 0.53 0.00 -0.02 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 -1.83 3.01 -1.69 0.52 5.66 -1.26 -3.41 114.28 115.28 1aqs n THR 28 Ca 0.00 -2.19 0.00 0.00 -3.05 0.00 0.00 64.05 58.81 1aqs n THR 28 Cb 0.00 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.27 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 0.81 -0.50 2.86 1.09 0.00 -1.26 -4.95 105.19 103.24 1aqs n GLY 29 Ca 0.38 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 3.28 3.70 -4.29 0.00 3.02 -1.26 -4.88 115.26 114.83 1aqs n ASN 31 Ca 0.39 -2.63 -0.21 0.00 -0.03 0.00 0.00 54.58 52.10 1aqs n ASN 31 Cb 0.35 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 1aqs n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1aqs s SER 32 N -1.50 2.40 0.00 6.41 0.01 -1.26 -5.02 113.70 114.74 1aqs s SER 32 Ca 0.37 -0.81 0.23 0.00 1.31 0.00 0.00 55.95 57.05 1aqs s SER 32 Cb 0.27 -0.12 0.85 0.00 0.21 0.00 0.00 66.02 67.22 1aqs s SER 32 CO 0.13 -0.05 1.61 -0.90 0.41 0.00 0.00 173.24 174.43 1aqs n ASP 33 N 0.54 1.62 -2.16 2.44 5.68 -1.26 -3.86 116.55 119.55 1aqs n ASP 33 Ca -0.15 -1.64 -0.10 0.00 -0.50 0.00 0.00 54.79 52.40 1aqs n ASP 33 Cb 0.56 -0.07 0.05 0.00 -1.14 0.00 0.00 41.12 40.52 1aqs n ASP 33 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1aqs n ASP 34 N 0.28 3.07 -2.12 -1.12 2.03 -1.26 -4.66 116.55 112.77 1aqs n ASP 34 Ca 0.17 -2.98 -0.03 0.00 0.52 0.00 0.00 54.79 52.47 1aqs n ASP 34 Cb 0.34 -0.41 0.07 0.00 -0.72 0.00 0.00 41.12 40.40 1aqs n ASP 34 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1aqs n LYS 35 N -0.61 0.92 -3.61 -0.67 4.81 -1.25 -5.07 118.16 112.68 1aqs n LYS 35 Ca 0.25 -1.12 -0.40 0.00 -0.87 0.00 0.00 58.31 56.18 1aqs n LYS 35 Cb 0.89 0.44 -0.08 0.00 0.02 0.00 0.00 35.03 36.31 1aqs n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aqs n PRO 37 N 4.05 1.92 0.00 0.00 -0.04 -1.26 -4.89 135.00 134.77 1aqs n PRO 37 Ca 0.04 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1aqs n PRO 37 Cb 0.41 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1aqs n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqs n GLY 39 N 2.45 -0.90 0.00 0.00 0.00 -1.26 -4.75 105.19 100.73 1aqs n GLY 39 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1aqs n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02