#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 0.00 -1.60 1.08 5.15 -1.26 -4.56 115.26 114.06 1aqq n ASN 2 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1aqq n ASN 2 Cb 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.43 1aqq n ASN 2 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1aqq n GLU 3 N 0.00 2.09 -1.64 1.20 0.00 -1.26 -4.50 120.64 116.53 1aqq n GLU 3 Ca 0.00 -3.20 -0.32 0.00 0.00 0.00 0.00 57.16 53.64 1aqq n GLU 3 Cb 0.00 -1.98 -0.01 0.00 0.00 0.00 0.00 31.44 29.45 1aqq n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aqq n GLY 4 N -1.10 4.85 1.70 -1.84 0.00 -1.26 -4.09 105.19 103.45 1aqq n GLY 4 Ca 0.44 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 0.24 -0.02 -3.21 1.61 1.44 -1.26 -4.93 115.22 109.08 1aqq n HIS 5 Ca 0.51 -1.36 -0.40 0.00 -2.01 0.00 0.00 57.72 54.46 1aqq n HIS 5 Cb 0.43 0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.50 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 -2.78 4.17 -0.36 -1.40 -1.05 -1.26 -4.78 118.70 111.24 1aqq s GLU 6 Ca 0.13 0.45 -0.41 0.00 -0.15 0.00 0.00 54.97 54.98 1aqq s GLU 6 Cb 0.01 -3.58 -0.16 0.00 -0.44 0.00 0.00 34.13 29.95 1aqq s GLU 6 CO 0.09 -0.21 1.86 0.00 0.95 0.00 0.00 175.26 177.95 1aqq n GLN 8 N 5.98 2.78 -3.92 0.00 6.02 -1.26 -4.99 117.38 121.99 1aqq n GLN 8 Ca 0.34 -3.78 -0.34 0.00 -0.01 0.00 0.00 57.00 53.21 1aqq n GLN 8 Cb 0.09 -2.02 -0.05 0.00 1.02 0.00 0.00 30.24 29.27 1aqq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqq n GLN 10 N 1.10 3.34 -2.02 0.00 7.27 -1.26 -3.37 117.38 122.44 1aqq n GLN 10 Ca -0.12 -2.74 -0.28 0.00 0.07 0.00 0.00 57.00 53.93 1aqq n GLN 10 Cb 0.53 -2.12 0.09 0.00 2.41 0.00 0.00 30.24 31.15 1aqq n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aqq n GLY 12 N -3.23 -1.22 0.10 0.00 0.00 -1.26 -0.78 105.19 98.80 1aqq n GLY 12 Ca 0.09 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 0.18 0.00 1.61 0.87 -1.90 -3.33 113.55 110.98 1aqq h SER 13 Ca 0.00 -0.40 -0.36 0.00 -1.23 0.00 0.00 61.79 59.80 1aqq h SER 13 Cb 0.36 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1aqq h SER 13 CO 0.00 1.35 -2.07 0.00 -0.53 0.00 0.00 176.83 175.58 1aqq h LYS 15 N -1.00 0.05 0.00 0.00 2.10 -0.96 -3.30 116.57 113.45 1aqq h LYS 15 Ca -0.55 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1aqq h LYS 15 Cb 1.47 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 1aqq h LYS 15 CO -0.33 0.03 -0.54 0.27 -2.00 0.00 0.00 179.45 176.88 1aqq n ASN 16 N -5.21 2.21 -4.55 7.07 0.23 -1.26 -4.97 115.26 108.77 1aqq n ASN 16 Ca 0.37 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 54.05 1aqq n ASN 16 Cb 1.25 0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 38.95 1aqq n ASN 16 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1aqq s ASN 17 N -3.38 4.77 0.00 0.53 3.04 -1.10 -4.76 114.94 114.04 1aqq s ASN 17 Ca 0.00 0.78 0.07 0.00 0.04 0.00 0.00 52.86 53.75 1aqq s ASN 17 Cb 0.00 -2.51 0.42 0.00 -1.54 0.00 0.00 41.25 37.62 1aqq s ASN 17 CO 0.00 -2.68 1.27 -1.84 -3.04 0.00 0.00 177.10 170.81 1aqq n GLU 18 N 9.08 1.00 0.20 0.43 0.00 -1.26 -3.36 120.64 126.73 1aqq n GLU 18 Ca 0.30 -0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.54 1aqq n GLU 18 Cb 0.54 -1.11 0.25 0.00 0.00 0.00 0.00 31.44 31.12 1aqq n GLU 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1aqq h GLN 19 N 0.00 0.00 0.00 3.44 4.15 -1.86 -3.23 115.11 117.61 1aqq h GLN 19 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1aqq h GLN 19 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1aqq h GLN 19 CO 0.00 0.25 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 1aqq n GLN 21 N -0.34 1.76 0.00 0.00 6.02 -1.22 -3.84 117.38 119.75 1aqq n GLN 21 Ca 0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.97 1aqq n GLN 21 Cb 0.22 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1aqq n GLN 21 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1aqq n LYS 22 N 0.05 0.00 -2.01 -1.09 2.85 -1.26 -3.66 118.16 113.04 1aqq n LYS 22 Ca 0.16 -0.12 -0.04 0.00 -1.05 0.00 0.00 58.31 57.26 1aqq n LYS 22 Cb 0.77 -0.41 0.05 0.00 -0.65 0.00 0.00 35.03 34.79 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 -1.27 -4.59 -5.58 7.64 -1.25 -4.81 113.62 103.76 1aqq n SER 23 Ca 0.00 -2.12 -0.36 0.00 1.01 0.00 0.00 58.87 57.40 1aqq n SER 23 Cb 0.32 0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 63.95 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 4.19 0.01 -4.49 0.00 3.41 -1.26 -4.19 113.62 111.29 1aqq n SER 25 Ca -0.16 -0.78 -0.49 0.00 -0.26 0.00 0.00 58.87 57.18 1aqq n SER 25 Cb 0.52 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1aqq n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqq s PRO 27 N 6.15 2.30 0.00 0.00 0.04 -1.26 -4.61 135.00 137.62 1aqq s PRO 27 Ca 1.07 0.97 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1aqq s PRO 27 Cb -0.74 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1aqq s PRO 27 CO 0.46 -3.13 0.17 0.25 0.04 0.00 0.00 177.00 174.79 1aqq n THR 28 N 7.72 0.00 -0.52 1.26 -2.24 -1.26 -2.63 114.28 116.60 1aqq n THR 28 Ca 0.31 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1aqq n THR 28 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.19 0.52 3.53 3.38 0.00 -1.26 -5.05 105.19 107.49 1aqq n GLY 29 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 13.88 0.16 -4.44 0.00 5.03 -1.26 -4.01 115.26 124.63 1aqq n ASN 31 Ca 0.49 0.02 -0.44 0.00 0.87 0.00 0.00 54.58 55.52 1aqq n ASN 31 Cb 0.35 -0.18 -0.02 0.00 -1.02 0.00 0.00 39.78 38.91 1aqq n ASN 31 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1aqq s SER 32 N -4.86 6.76 -0.44 6.41 0.01 -1.26 -4.79 113.70 115.53 1aqq s SER 32 Ca -0.01 -2.37 0.06 0.00 1.31 0.00 0.00 55.95 54.94 1aqq s SER 32 Cb 0.00 -2.38 0.20 0.00 0.21 0.00 0.00 66.02 64.05 1aqq s SER 32 CO 0.01 -0.92 0.52 0.47 0.41 0.00 0.00 173.24 173.73 1aqq n ASP 33 N 6.00 -1.32 -0.81 2.44 8.00 -1.26 -4.94 116.55 124.66 1aqq n ASP 33 Ca 0.26 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 53.12 1aqq n ASP 33 Cb 0.47 0.21 0.06 0.00 -0.02 0.00 0.00 41.12 41.84 1aqq n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1aqq n ASP 34 N 2.51 2.02 -1.39 -2.24 5.68 -1.26 -2.77 116.55 119.10 1aqq n ASP 34 Ca 0.24 -2.18 -0.11 0.00 -0.50 0.00 0.00 54.79 52.24 1aqq n ASP 34 Cb 0.52 -0.54 0.12 0.00 -1.14 0.00 0.00 41.12 40.09 1aqq n ASP 34 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1aqq n LYS 35 N 0.12 2.54 -3.90 0.11 4.01 -1.26 -4.83 118.16 114.95 1aqq n LYS 35 Ca 0.06 -3.65 -0.28 0.00 -0.51 0.00 0.00 58.31 53.92 1aqq n LYS 35 Cb 0.46 -1.97 -0.12 0.00 -0.51 0.00 0.00 35.03 32.89 1aqq n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aqq n PRO 37 N 2.03 2.30 -2.65 0.00 -0.05 -1.26 -4.89 135.00 130.49 1aqq n PRO 37 Ca 0.19 -2.71 -0.42 0.00 -0.05 0.00 0.00 63.50 60.51 1aqq n PRO 37 Cb 0.35 -2.06 -0.04 0.00 -0.05 0.00 0.00 33.50 31.70 1aqq n PRO 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1aqq n GLY 39 N 2.63 0.41 0.08 0.00 0.00 -1.26 -4.64 105.19 102.40 1aqq n GLY 39 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.23 1aqq n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48