#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqq n ASN 2 N 0.00 -2.82 -1.96 1.69 0.23 -1.26 -4.55 115.26 106.58 1aqq n ASN 2 Ca 0.00 -0.76 -0.22 0.00 -0.53 0.00 0.00 54.58 53.08 1aqq n ASN 2 Cb 0.00 -0.70 0.15 0.00 -2.08 0.00 0.00 39.78 37.15 1aqq n ASN 2 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1aqq n GLU 3 N -4.34 2.36 -2.02 -3.83 0.28 -1.26 -4.52 120.64 107.31 1aqq n GLU 3 Ca 0.10 -3.22 -0.37 0.00 -0.16 0.00 0.00 57.16 53.51 1aqq n GLU 3 Cb 0.42 -2.12 0.03 0.00 1.43 0.00 0.00 31.44 31.20 1aqq n GLU 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1aqq n GLY 4 N -1.05 5.62 0.00 -1.84 0.00 -1.26 -3.63 105.19 103.02 1aqq n GLY 4 Ca 0.53 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1aqq n GLY 4 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aqq n HIS 5 N -0.53 0.00 -3.31 1.61 1.44 -1.26 -5.10 115.22 108.07 1aqq n HIS 5 Ca 0.51 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.84 1aqq n HIS 5 Cb 0.32 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.37 1aqq n HIS 5 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1aqq s GLU 6 N -1.23 4.30 -0.52 -1.40 1.03 -1.26 -4.38 118.70 115.24 1aqq s GLU 6 Ca 0.00 0.50 -0.35 0.00 0.03 0.00 0.00 54.97 55.14 1aqq s GLU 6 Cb 0.00 -3.40 -0.15 0.00 -0.80 0.00 0.00 34.13 29.78 1aqq s GLU 6 CO 0.00 0.23 2.30 0.00 -1.33 0.00 0.00 175.26 176.46 1aqq n GLN 8 N 8.19 2.68 -2.63 0.00 1.13 -1.26 -4.74 117.38 120.75 1aqq n GLN 8 Ca 0.48 -3.07 -0.40 0.00 -1.94 0.00 0.00 57.00 52.07 1aqq n GLN 8 Cb 0.17 -2.07 -0.05 0.00 0.11 0.00 0.00 30.24 28.40 1aqq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aqq n GLN 10 N 1.83 2.35 0.00 0.00 6.02 -0.92 -3.72 117.38 122.94 1aqq n GLN 10 Ca -0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1aqq n GLN 10 Cb 0.47 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1aqq n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqq n GLY 12 N 4.63 0.06 0.10 0.00 0.00 -1.26 -4.18 105.19 104.53 1aqq n GLY 12 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1aqq n GLY 12 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1aqq h SER 13 N 0.00 0.14 0.00 1.61 0.87 -1.89 -3.38 113.55 110.90 1aqq h SER 13 Ca 0.00 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1aqq h SER 13 Cb 0.10 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1aqq h SER 13 CO 0.00 1.27 -0.52 0.00 -0.53 0.00 0.00 176.83 177.05 1aqq n LYS 15 N -4.62 -0.02 -3.49 0.00 2.85 -1.24 -2.34 118.16 109.30 1aqq n LYS 15 Ca -0.08 0.79 -0.28 0.00 -1.05 0.00 0.00 58.31 57.69 1aqq n LYS 15 Cb 0.27 -1.63 -0.11 0.00 -0.65 0.00 0.00 35.03 32.91 1aqq n LYS 15 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1aqq s ASN 16 N -4.24 2.48 -0.30 -5.58 3.84 -1.26 -5.02 114.94 104.86 1aqq s ASN 16 Ca -0.04 -2.77 -0.01 0.00 0.21 0.00 0.00 52.86 50.25 1aqq s ASN 16 Cb 0.20 -0.58 0.19 0.00 -0.55 0.00 0.00 41.25 40.50 1aqq s ASN 16 CO 0.55 -0.22 0.61 0.20 -2.79 0.00 0.00 177.10 175.45 1aqq s ASN 17 N 0.33 -1.39 0.00 -4.21 -0.87 -0.99 -4.83 114.94 102.98 1aqq s ASN 17 Ca 0.25 0.83 0.15 0.00 -1.57 0.00 0.00 52.86 52.53 1aqq s ASN 17 Cb -0.09 2.15 0.86 0.00 -0.02 0.00 0.00 41.25 44.14 1aqq s ASN 17 CO -0.10 -0.26 1.39 -0.62 -2.57 0.00 0.00 177.10 174.94 1aqq n GLU 18 N 5.43 0.36 0.06 -0.60 1.02 -1.26 0.16 120.64 125.81 1aqq n GLU 18 Ca -0.01 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.98 1aqq n GLU 18 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.29 1aqq n GLU 18 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1aqq h GLN 19 N 0.00 0.35 0.00 3.49 1.08 -1.94 -3.38 115.11 114.71 1aqq h GLN 19 Ca 0.00 -0.60 -0.01 0.00 -1.45 0.00 0.00 58.65 56.59 1aqq h GLN 19 Cb 0.07 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1aqq h GLN 19 CO 0.00 1.26 -0.20 0.00 -0.95 0.00 0.00 178.83 178.94 1aqq n GLN 21 N -0.97 0.58 -0.14 0.00 1.13 0.42 -3.77 117.38 114.63 1aqq n GLN 21 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1aqq n GLN 21 Cb 0.68 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.63 1aqq n GLN 21 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1aqq n LYS 22 N -0.89 0.00 -1.53 -1.09 2.85 -1.26 -1.25 118.16 114.99 1aqq n LYS 22 Ca 0.11 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.35 1aqq n LYS 22 Cb 0.05 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.52 1aqq n LYS 22 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1aqq n SER 23 N 0.00 2.16 -4.40 -5.58 7.64 -1.24 -4.07 113.62 108.13 1aqq n SER 23 Ca 0.00 -3.02 -0.33 0.00 1.01 0.00 0.00 58.87 56.53 1aqq n SER 23 Cb 0.48 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 1aqq n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqq n SER 25 N 2.88 0.32 -4.68 0.00 7.64 -1.26 -4.04 113.62 114.48 1aqq n SER 25 Ca -0.18 -1.36 -0.49 0.00 1.01 0.00 0.00 58.87 57.85 1aqq n SER 25 Cb 0.52 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.52 1aqq n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqq s PRO 27 N 4.12 2.42 0.00 0.00 0.04 -1.26 -4.65 135.00 135.68 1aqq s PRO 27 Ca 0.94 0.32 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1aqq s PRO 27 Cb -0.73 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1aqq s PRO 27 CO 0.53 -3.25 0.16 0.25 0.04 0.00 0.00 177.00 174.73 1aqq n THR 28 N 7.74 0.00 -0.67 1.26 -2.24 -1.26 -2.78 114.28 116.34 1aqq n THR 28 Ca 0.33 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1aqq n THR 28 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1aqq n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aqq n GLY 29 N 1.10 0.67 3.48 3.38 0.00 -1.26 -5.05 105.19 107.51 1aqq n GLY 29 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1aqq n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqq n ASN 31 N 11.52 0.40 -4.45 0.00 3.02 -1.26 -2.17 115.26 122.32 1aqq n ASN 31 Ca 0.45 0.05 -0.44 0.00 -0.03 0.00 0.00 54.58 54.61 1aqq n ASN 31 Cb 0.27 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1aqq n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1aqq s SER 32 N -5.24 6.70 -0.46 6.41 0.01 -1.26 -4.30 113.70 115.56 1aqq s SER 32 Ca -0.01 -2.20 0.06 0.00 1.31 0.00 0.00 55.95 55.10 1aqq s SER 32 Cb 0.00 -2.39 0.20 0.00 0.21 0.00 0.00 66.02 64.04 1aqq s SER 32 CO 0.02 -1.00 0.58 0.47 0.41 0.00 0.00 173.24 173.72 1aqq n ASP 33 N 6.33 -1.79 -1.58 2.44 9.92 -1.26 -4.95 116.55 125.66 1aqq n ASP 33 Ca 0.26 -2.75 -0.11 0.00 -0.53 0.00 0.00 54.79 51.66 1aqq n ASP 33 Cb 0.48 0.59 0.10 0.00 -0.64 0.00 0.00 41.12 41.66 1aqq n ASP 33 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1aqq n ASP 34 N 2.49 3.39 -1.42 -2.24 2.03 -1.26 -3.09 116.55 116.45 1aqq n ASP 34 Ca 0.21 -2.78 0.03 0.00 0.52 0.00 0.00 54.79 52.77 1aqq n ASP 34 Cb 0.54 -0.67 0.07 0.00 -0.72 0.00 0.00 41.12 40.34 1aqq n ASP 34 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1aqq n LYS 35 N -0.27 0.64 -3.70 -0.67 0.00 -1.26 -4.91 118.16 107.98 1aqq n LYS 35 Ca 0.29 -2.51 -0.28 0.00 0.00 0.00 0.00 58.31 55.81 1aqq n LYS 35 Cb 1.06 -0.59 -0.11 0.00 0.00 0.00 0.00 35.03 35.39 1aqq n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aqq n PRO 37 N 2.46 1.93 -1.95 0.00 -0.04 -1.26 -4.82 135.00 131.32 1aqq n PRO 37 Ca 0.22 -1.83 -0.41 0.00 -0.04 0.00 0.00 63.50 61.43 1aqq n PRO 37 Cb 0.39 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1aqq n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqq n GLY 39 N 1.63 -1.38 0.54 0.00 0.00 -1.26 -4.17 105.19 100.55 1aqq n GLY 39 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1aqq n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48