#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqq s ASN 2 N 0.00 3.01 -0.35 1.08 3.84 -1.26 -4.73 114.94 116.53 1aqq s ASN 2 Ca 0.00 1.01 0.07 0.00 0.21 0.00 0.00 52.86 54.14 1aqq s ASN 2 Cb 0.00 -1.59 0.48 0.00 -0.55 0.00 0.00 41.25 39.59 1aqq s ASN 2 CO 0.00 -2.87 1.44 -1.84 -2.79 0.00 0.00 177.10 171.05 1aqq n GLU 3 N -3.98 2.56 -1.81 0.43 0.00 -1.25 -4.53 120.64 112.06 1aqq n GLU 3 Ca 0.06 -3.56 -0.38 0.00 0.00 0.00 0.00 57.16 53.28 1aqq n GLU 3 Cb 0.59 -2.04 0.04 0.00 0.00 0.00 0.00 31.44 30.03 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 -0.95 5.49 2.12 -1.84 0.00 -1.26 -3.91 105.19 104.84 1aqq n GLY 4 Ca 0.41 -2.42 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.51 0.32 -3.27 1.61 1.44 -1.26 -5.12 115.22 108.44 1aqq n HIS 5 Ca 0.55 -1.58 -0.38 0.00 -2.01 0.00 0.00 57.72 54.30 1aqq n HIS 5 Cb 0.31 -0.08 -0.06 0.00 0.12 0.00 0.00 29.99 30.28 1aqq n HIS 5 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1aqq s GLU 6 N -3.01 4.35 -0.49 -1.40 2.02 -1.26 -4.64 118.70 114.27 1aqq s GLU 6 Ca 0.08 0.52 -0.44 0.00 0.02 0.00 0.00 54.97 55.16 1aqq s GLU 6 Cb 0.00 -3.44 -0.19 0.00 0.10 0.00 0.00 34.13 30.61 1aqq s GLU 6 CO 0.06 0.13 2.12 0.00 0.02 0.00 0.00 175.26 177.59 1aqq n GLN 8 N 7.39 3.54 -3.16 0.00 1.13 -1.26 -4.90 117.38 120.13 1aqq n GLN 8 Ca 0.53 -2.91 -0.40 0.00 -1.94 0.00 0.00 57.00 52.28 1aqq n GLN 8 Cb -0.03 -2.17 -0.07 0.00 0.11 0.00 0.00 30.24 28.08 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 5.52 2.35 -2.82 0.00 6.02 -1.26 -2.77 117.38 124.42 1aqq n GLN 10 Ca -0.02 -1.42 -0.24 0.00 -0.01 0.00 0.00 57.00 55.32 1aqq n GLN 10 Cb 0.49 -1.74 0.02 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.21 -1.50 0.17 0.00 0.00 -1.26 -1.15 105.19 99.24 1aqq n GLY 12 Ca 0.02 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 0.83 0.00 1.61 0.87 -1.94 -3.35 113.55 111.58 1aqq h SER 13 Ca 0.00 -0.84 -0.02 0.00 -1.23 0.00 0.00 61.79 59.70 1aqq h SER 13 Cb 0.56 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1aqq h SER 13 CO 0.00 1.58 -1.03 0.00 -0.53 0.00 0.00 176.83 176.86 1aqq n LYS 15 N -4.46 0.00 -0.03 0.00 2.85 -0.30 -2.18 118.16 114.04 1aqq n LYS 15 Ca -0.15 0.85 -0.08 0.00 -1.05 0.00 0.00 58.31 57.88 1aqq n LYS 15 Cb 0.52 -2.03 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 1aqq n LYS 15 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1aqq n ASN 16 N -3.27 0.83 -4.44 -5.58 2.85 -1.25 -4.96 115.26 99.44 1aqq n ASN 16 Ca 0.29 0.13 -0.52 0.00 -0.11 0.00 0.00 54.58 54.37 1aqq n ASN 16 Cb 1.48 -0.32 -0.08 0.00 1.24 0.00 0.00 39.78 42.10 1aqq n ASN 16 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1aqq n ASN 17 N -3.51 1.98 -0.01 1.20 5.15 -0.93 -4.75 115.26 114.39 1aqq n ASN 17 Ca -0.15 0.49 0.05 0.00 -0.60 0.00 0.00 54.58 54.37 1aqq n ASN 17 Cb 0.52 -1.21 0.28 0.00 -0.53 0.00 0.00 39.78 38.84 1aqq n ASN 17 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1aqq n GLU 18 N 7.92 1.02 0.09 1.20 1.02 -1.26 -2.46 120.64 128.17 1aqq n GLU 18 Ca 0.42 -0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.61 1aqq n GLU 18 Cb 0.19 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.44 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 0.05 0.00 0.00 3.49 1.08 -1.93 -3.36 115.11 114.44 1aqq h GLN 19 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aqq h GLN 19 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1aqq h GLN 19 CO 0.00 0.10 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 1aqq n GLN 21 N -0.30 1.70 -0.06 0.00 6.02 -1.03 -4.00 117.38 119.71 1aqq n GLN 21 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 1aqq n GLN 21 Cb 0.32 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 0.14 0.00 -2.71 -1.09 2.85 -1.26 -3.03 118.16 113.06 1aqq n LYS 22 Ca 0.07 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.28 1aqq n LYS 22 Cb 0.52 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.97 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 0.14 -4.54 -5.58 7.64 -1.26 -4.69 113.62 105.34 1aqq n SER 23 Ca 0.00 -2.42 -0.30 0.00 1.01 0.00 0.00 58.87 57.16 1aqq n SER 23 Cb 0.49 0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.91 2.23 -4.63 0.00 3.41 -1.26 -3.83 113.62 110.44 1aqq n SER 25 Ca -0.15 -2.19 -0.52 0.00 -0.26 0.00 0.00 58.87 55.75 1aqq n SER 25 Cb 0.52 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 4.47 2.20 0.00 0.00 0.04 -1.26 -4.60 135.00 135.84 1aqq s PRO 27 Ca 0.99 0.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1aqq s PRO 27 Cb -0.88 -4.93 0.00 0.00 0.04 0.00 0.00 34.50 28.73 1aqq s PRO 27 CO 0.56 -3.74 0.10 0.25 0.04 0.00 0.00 177.00 174.21 1aqq n THR 28 N 8.19 0.00 -1.17 1.26 -2.24 -1.26 -2.77 114.28 116.29 1aqq n THR 28 Ca 0.42 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1aqq n THR 28 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.88 0.86 2.83 3.38 0.00 -1.26 -5.07 105.19 106.81 1aqq n GLY 29 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 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 2.73 0.00 -4.43 0.00 3.02 -1.26 -4.61 115.26 110.71 1aqq n ASN 31 Ca 0.22 -1.31 -0.30 0.00 -0.03 0.00 0.00 54.58 53.16 1aqq n ASN 31 Cb -0.03 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.31 3.53 -0.20 6.41 0.01 -1.26 -5.07 113.70 116.80 1aqq s SER 32 Ca 0.00 -1.69 0.07 0.00 1.31 0.00 0.00 55.95 55.64 1aqq s SER 32 Cb 0.00 0.57 -0.17 0.00 0.21 0.00 0.00 66.02 66.63 1aqq s SER 32 CO 0.00 -0.92 -0.09 0.47 0.41 0.00 0.00 173.24 173.11 1aqq n ASP 33 N -1.33 1.71 -1.64 2.44 8.00 -1.26 -4.36 116.55 120.11 1aqq n ASP 33 Ca -0.13 -0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.20 1aqq n ASP 33 Cb 0.66 0.15 0.14 0.00 -0.02 0.00 0.00 41.12 42.06 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 -2.94 3.55 -1.39 -2.24 5.68 -1.26 -3.30 116.55 114.65 1aqq n ASP 34 Ca -0.34 -2.86 0.04 0.00 -0.50 0.00 0.00 54.79 51.12 1aqq n ASP 34 Cb 0.97 -0.68 0.07 0.00 -1.14 0.00 0.00 41.12 40.33 1aqq n ASP 34 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1aqq n LYS 35 N -0.27 0.54 -3.36 0.11 4.81 -1.26 -4.89 118.16 113.84 1aqq n LYS 35 Ca 0.31 -2.44 -0.26 0.00 -0.87 0.00 0.00 58.31 55.06 1aqq n LYS 35 Cb 1.11 -0.51 -0.09 0.00 0.02 0.00 0.00 35.03 35.56 1aqq n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aqq n PRO 37 N 2.09 2.06 -0.08 0.00 -0.04 -1.26 -4.43 135.00 133.34 1aqq n PRO 37 Ca 0.26 -1.77 0.02 0.00 -0.04 0.00 0.00 63.50 61.97 1aqq n PRO 37 Cb 0.48 -1.87 0.05 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 0.54 2.54 0.95 0.00 0.00 -1.26 -4.89 105.19 103.06 1aqq n GLY 39 Ca 0.04 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1aqq n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48