#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 0.78 -0.40 1.08 2.20 -1.26 -5.11 114.94 112.23 1aqs s ASN 2 Ca 0.00 -0.36 -0.24 0.00 -0.94 0.00 0.00 52.86 51.32 1aqs s ASN 2 Cb 0.00 -0.01 0.02 0.00 -2.00 0.00 0.00 41.25 39.25 1aqs s ASN 2 CO 0.00 -0.09 0.85 -1.61 -2.94 0.00 0.00 177.10 173.31 1aqs s GLU 3 N -0.96 3.68 0.00 3.55 2.02 -1.26 -4.91 118.70 120.81 1aqs s GLU 3 Ca -0.05 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1aqs s GLU 3 Cb -0.07 -3.85 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1aqs s GLU 3 CO 0.00 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.70 1aqs n GLY 4 N 4.64 0.90 0.00 -1.39 0.00 0.66 -4.92 105.19 105.09 1aqs n GLY 4 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 -3.75 1.61 1.44 -0.89 -4.72 115.22 108.90 1aqs n HIS 5 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1aqs n HIS 5 Cb 0.00 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 1aqs n HIS 5 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1aqs s GLU 6 N 0.81 0.77 -1.10 -1.40 -1.05 -1.26 -2.23 118.70 113.24 1aqs s GLU 6 Ca 0.00 -0.99 -0.22 0.00 -0.15 0.00 0.00 54.97 53.62 1aqs s GLU 6 Cb 0.00 -2.06 0.04 0.00 -0.44 0.00 0.00 34.13 31.67 1aqs s GLU 6 CO 0.00 -0.91 1.60 0.00 0.95 0.00 0.00 175.26 176.90 1aqs n GLN 8 N 8.71 2.11 -1.59 0.00 1.13 -1.26 -4.66 117.38 121.82 1aqs n GLN 8 Ca 0.39 -0.92 -0.50 0.00 -1.94 0.00 0.00 57.00 54.03 1aqs n GLN 8 Cb 0.49 -1.69 -0.05 0.00 0.11 0.00 0.00 30.24 29.10 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 2.30 2.95 0.00 0.00 6.02 -1.26 -4.14 117.38 123.25 1aqs n GLN 10 Ca 0.17 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 1aqs n GLN 10 Cb 0.22 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.93 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 -0.60 0.76 0.00 0.00 -1.26 -4.02 105.19 100.06 1aqs n GLY 12 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1aqs n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aqs n SER 13 N -2.06 2.60 -0.09 1.61 3.41 -1.26 -4.35 113.62 113.47 1aqs n SER 13 Ca -0.06 -1.79 -0.11 0.00 -0.26 0.00 0.00 58.87 56.65 1aqs n SER 13 Cb 0.46 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1aqs n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqs n LYS 15 N -2.83 0.02 -0.00 0.00 -0.00 -1.26 -2.97 118.16 111.11 1aqs n LYS 15 Ca -0.32 0.30 -0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1aqs n LYS 15 Cb 0.98 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 34.51 1aqs n LYS 15 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1aqs n ASN 16 N -1.47 4.81 -4.39 -5.58 2.85 -1.26 -4.89 115.26 105.33 1aqs n ASN 16 Ca 0.03 0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 54.05 1aqs n ASN 16 Cb 0.11 0.57 -0.03 0.00 1.24 0.00 0.00 39.78 41.67 1aqs n ASN 16 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1aqs s ASN 17 N -3.00 6.63 0.00 1.20 -0.87 -1.16 -4.83 114.94 112.92 1aqs s ASN 17 Ca -0.00 -2.25 0.12 0.00 -1.57 0.00 0.00 52.86 49.15 1aqs s ASN 17 Cb 0.00 -2.30 0.37 0.00 -0.02 0.00 0.00 41.25 39.30 1aqs s ASN 17 CO 0.03 -0.86 1.29 -0.62 -2.57 0.00 0.00 177.10 174.38 1aqs n GLU 18 N 5.39 1.71 0.00 -0.60 1.02 -1.26 -3.84 120.64 123.06 1aqs n GLU 18 Ca 0.15 -1.10 0.09 0.00 -0.02 0.00 0.00 57.16 56.29 1aqs n GLU 18 Cb 0.47 -1.27 0.48 0.00 -0.02 0.00 0.00 31.44 31.10 1aqs n GLU 18 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1aqs n GLN 19 N 0.38 0.24 -0.70 3.49 6.02 -1.26 -2.82 117.38 122.73 1aqs n GLN 19 Ca 0.12 0.11 0.01 0.00 -0.01 0.00 0.00 57.00 57.23 1aqs n GLN 19 Cb 0.27 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.04 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 0.06 0.88 -0.07 0.00 -0.06 -1.13 -2.64 117.38 114.44 1aqs n GLN 21 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1aqs n GLN 21 Cb 0.79 -1.08 0.00 0.00 -4.06 0.00 0.00 30.24 25.89 1aqs n GLN 21 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1aqs n LYS 22 N -0.58 0.00 -1.22 3.69 2.85 -1.26 -2.46 118.16 119.18 1aqs n LYS 22 Ca 0.03 -0.44 -0.06 0.00 -1.05 0.00 0.00 58.31 56.79 1aqs n LYS 22 Cb 0.01 -0.39 -0.04 0.00 -0.65 0.00 0.00 35.03 33.97 1aqs n LYS 22 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1aqs n SER 23 N 0.00 -1.04 -4.81 -5.58 7.64 -0.95 -4.11 113.62 104.77 1aqs n SER 23 Ca 0.00 -1.99 -0.34 0.00 1.01 0.00 0.00 58.87 57.56 1aqs n SER 23 Cb 0.52 0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 64.00 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 -0.43 7.43 -4.67 0.00 2.88 -1.26 -2.10 113.62 115.47 1aqs n SER 25 Ca 0.06 -3.68 -0.41 0.00 -1.33 0.00 0.00 58.87 53.51 1aqs n SER 25 Cb 0.53 -1.15 -0.04 0.00 -0.75 0.00 0.00 64.21 62.80 1aqs n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aqs n PRO 27 N 5.18 -0.01 -1.18 0.00 -0.04 -1.26 -4.91 135.00 132.78 1aqs n PRO 27 Ca 0.03 -0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.15 1aqs n PRO 27 Cb 0.49 -0.08 -0.02 0.00 -0.04 0.00 0.00 33.50 33.85 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 -2.04 3.04 -1.44 0.52 5.66 -1.26 -3.51 114.28 115.25 1aqs n THR 28 Ca 0.01 -2.27 0.01 0.00 -3.05 0.00 0.00 64.05 58.75 1aqs n THR 28 Cb 0.04 -1.49 0.01 0.00 -1.55 0.00 0.00 70.33 67.34 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 0.70 -0.24 2.68 1.09 0.00 -1.26 -4.88 105.19 103.28 1aqs n GLY 29 Ca 0.39 -0.10 -0.36 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 0.29 1.63 -4.33 0.00 5.15 -1.26 -4.93 115.26 111.81 1aqs n ASN 31 Ca 0.52 -1.37 -0.17 0.00 -0.60 0.00 0.00 54.58 52.96 1aqs n ASN 31 Cb 0.34 0.10 -0.10 0.00 -0.53 0.00 0.00 39.78 39.59 1aqs n ASN 31 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1aqs s SER 32 N -2.23 1.52 0.00 1.20 0.01 -1.26 -5.02 113.70 107.92 1aqs s SER 32 Ca 0.30 -1.32 0.13 0.00 1.31 0.00 0.00 55.95 56.37 1aqs s SER 32 Cb 0.20 0.08 0.50 0.00 0.21 0.00 0.00 66.02 67.01 1aqs s SER 32 CO 0.42 -0.64 1.36 0.47 0.41 0.00 0.00 173.24 175.26 1aqs n ASP 33 N -0.46 1.25 -2.24 2.44 9.92 -1.26 -3.72 116.55 122.49 1aqs n ASP 33 Ca -0.02 -1.84 -0.13 0.00 -0.53 0.00 0.00 54.79 52.27 1aqs n ASP 33 Cb 0.65 -0.13 0.04 0.00 -0.64 0.00 0.00 41.12 41.05 1aqs n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1aqs n ASP 34 N 0.12 3.40 -2.03 -2.24 5.75 -1.26 -4.64 116.55 115.65 1aqs n ASP 34 Ca 0.11 -3.06 -0.04 0.00 -0.01 0.00 0.00 54.79 51.80 1aqs n ASP 34 Cb 0.23 -0.40 0.05 0.00 -1.03 0.00 0.00 41.12 39.97 1aqs n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aqs n LYS 35 N -0.65 0.84 -3.60 0.11 5.02 -1.24 -5.06 118.16 113.58 1aqs n LYS 35 Ca 0.28 -1.12 -0.40 0.00 -2.02 0.00 0.00 58.31 55.06 1aqs n LYS 35 Cb 0.90 0.45 -0.07 0.00 -0.02 0.00 0.00 35.03 36.29 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 3.62 1.90 0.00 0.00 -0.04 -1.26 -4.91 135.00 134.31 1aqs n PRO 37 Ca 0.10 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1aqs n PRO 37 Cb 0.40 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 1.49 -2.83 0.00 0.00 0.00 -1.26 -4.92 105.19 97.67 1aqs n GLY 39 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1aqs n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02