#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqr n ASN 2 N 0.00 4.51 -3.81 1.08 6.94 -1.26 -4.95 115.26 117.77 1aqr n ASN 2 Ca 0.00 -3.09 -0.12 0.00 -0.02 0.00 0.00 54.58 51.34 1aqr n ASN 2 Cb 0.00 -0.63 -0.11 0.00 -2.36 0.00 0.00 39.78 36.68 1aqr n ASN 2 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1aqr s GLU 3 N -2.88 0.39 0.00 -3.83 0.41 -1.26 -5.13 118.70 106.39 1aqr s GLU 3 Ca 0.48 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 55.12 1aqr s GLU 3 Cb 0.39 0.18 0.00 0.00 -1.78 0.00 0.00 34.13 32.91 1aqr s GLU 3 CO 0.11 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.22 1aqr n GLY 4 N 2.33 5.36 0.00 -1.39 0.00 -1.26 -4.87 105.19 105.37 1aqr n GLY 4 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1aqr n GLY 4 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aqr n HIS 5 N 0.00 0.00 -3.16 1.61 1.44 -1.26 -4.98 115.22 108.87 1aqr n HIS 5 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 1aqr n HIS 5 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1aqr n HIS 5 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1aqr s GLU 6 N 0.00 0.59 -1.13 -1.40 2.02 -1.26 -4.92 118.70 112.60 1aqr s GLU 6 Ca 0.00 0.39 -0.18 0.00 0.02 0.00 0.00 54.97 55.20 1aqr s GLU 6 Cb 0.00 0.22 0.10 0.00 0.10 0.00 0.00 34.13 34.55 1aqr s GLU 6 CO 0.00 -1.05 1.47 0.00 0.02 0.00 0.00 175.26 175.69 1aqr n GLN 8 N 7.45 1.58 -1.62 0.00 -0.06 -1.26 -4.81 117.38 118.66 1aqr n GLN 8 Ca 0.37 -0.56 -0.48 0.00 -2.00 0.00 0.00 57.00 54.32 1aqr n GLN 8 Cb 0.47 -1.43 -0.04 0.00 -4.06 0.00 0.00 30.24 25.18 1aqr n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aqr n GLN 10 N 2.40 2.46 0.00 0.00 6.02 -1.26 -4.12 117.38 122.88 1aqr n GLN 10 Ca 0.16 -2.37 0.00 0.00 -0.01 0.00 0.00 57.00 54.78 1aqr n GLN 10 Cb 0.26 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1aqr n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqr n GLY 12 N 0.00 -1.04 0.78 0.00 0.00 -1.26 -3.45 105.19 100.22 1aqr n GLY 12 Ca 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.74 1aqr n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aqr n SER 13 N -2.55 2.62 -0.09 1.61 7.64 -1.26 -3.94 113.62 117.65 1aqr n SER 13 Ca -0.16 -1.81 -0.11 0.00 1.01 0.00 0.00 58.87 57.80 1aqr n SER 13 Cb 0.84 0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.97 1aqr n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqr h LYS 15 N 0.00 0.00 0.00 0.00 1.57 -1.71 -3.34 116.57 113.09 1aqr h LYS 15 Ca -0.45 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.13 1aqr h LYS 15 Cb 1.86 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.14 1aqr h LYS 15 CO -0.02 0.22 -1.42 0.09 -0.57 0.00 0.00 179.45 177.75 1aqr n ASN 16 N -3.29 1.89 -4.45 0.86 3.02 -1.25 -4.72 115.26 107.32 1aqr n ASN 16 Ca 0.01 0.43 -0.44 0.00 -0.03 0.00 0.00 54.58 54.55 1aqr n ASN 16 Cb 0.49 -0.86 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 1aqr n ASN 16 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1aqr s ASN 17 N -6.61 6.55 0.00 6.41 -0.87 -1.22 -4.81 114.94 114.39 1aqr s ASN 17 Ca -0.29 -1.89 0.10 0.00 -1.57 0.00 0.00 52.86 49.21 1aqr s ASN 17 Cb 0.07 -2.39 0.35 0.00 -0.02 0.00 0.00 41.25 39.26 1aqr s ASN 17 CO 0.45 -1.11 1.26 -0.62 -2.57 0.00 0.00 177.10 174.51 1aqr n GLU 18 N 6.65 1.52 0.00 -0.60 1.02 -1.26 -3.74 120.64 124.22 1aqr n GLU 18 Ca 0.18 -0.80 0.11 0.00 -0.02 0.00 0.00 57.16 56.64 1aqr n GLU 18 Cb 0.48 -1.22 0.64 0.00 -0.02 0.00 0.00 31.44 31.32 1aqr n GLU 18 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1aqr n GLN 19 N 0.12 0.56 -0.05 3.49 6.02 -1.26 -2.34 117.38 123.92 1aqr n GLN 19 Ca 0.09 0.03 0.06 0.00 -0.01 0.00 0.00 57.00 57.18 1aqr n GLN 19 Cb 0.20 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.05 1aqr n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqr n GLN 21 N -1.09 0.77 0.00 0.00 1.13 -0.99 -1.82 117.38 115.39 1aqr n GLN 21 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1aqr n GLN 21 Cb 0.50 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1aqr n GLN 21 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1aqr n LYS 22 N -0.93 0.84 -2.65 -1.09 5.02 -1.26 -3.54 118.16 114.55 1aqr n LYS 22 Ca 0.16 -0.78 -0.02 0.00 -2.02 0.00 0.00 58.31 55.65 1aqr n LYS 22 Cb 0.07 -0.79 0.13 0.00 -0.02 0.00 0.00 35.03 34.42 1aqr n LYS 22 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1aqr n SER 23 N -0.18 -1.47 -4.70 4.39 7.64 -1.07 -4.19 113.62 114.05 1aqr n SER 23 Ca 0.00 -2.21 -0.42 0.00 1.01 0.00 0.00 58.87 57.24 1aqr n SER 23 Cb 0.25 0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 64.12 1aqr n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqr n SER 25 N 4.47 8.22 -4.37 0.00 7.64 -1.26 -4.55 113.62 123.76 1aqr n SER 25 Ca 0.08 -2.84 -0.28 0.00 1.01 0.00 0.00 58.87 56.84 1aqr n SER 25 Cb 0.49 -1.45 -0.13 0.00 -1.01 0.00 0.00 64.21 62.11 1aqr n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqr n PRO 27 N 0.90 0.00 -1.14 0.00 -0.04 -1.26 -4.92 135.00 128.54 1aqr n PRO 27 Ca -0.18 -0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 62.84 1aqr n PRO 27 Cb 0.53 -0.13 -0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1aqr n PRO 27 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1aqr n THR 28 N -2.06 3.02 -1.67 0.52 5.66 -1.26 -3.48 114.28 115.02 1aqr n THR 28 Ca 0.02 -2.21 0.00 0.00 -3.05 0.00 0.00 64.05 58.81 1aqr n THR 28 Cb 0.06 -1.45 0.01 0.00 -1.55 0.00 0.00 70.33 67.40 1aqr n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1aqr n GLY 29 N 0.57 -0.15 2.39 1.09 0.00 -1.26 -4.92 105.19 102.92 1aqr n GLY 29 Ca 0.39 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1aqr n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqr n ASN 31 N 2.03 1.70 -4.87 0.00 2.85 -1.26 -4.91 115.26 110.79 1aqr n ASN 31 Ca 0.61 -1.34 -0.22 0.00 -0.11 0.00 0.00 54.58 53.52 1aqr n ASN 31 Cb 0.38 0.63 -0.04 0.00 1.24 0.00 0.00 39.78 41.99 1aqr n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1aqr s SER 32 N -2.64 5.79 0.00 1.20 0.01 -1.26 -5.00 113.70 111.80 1aqr s SER 32 Ca 0.15 -0.13 0.20 0.00 1.31 0.00 0.00 55.95 57.48 1aqr s SER 32 Cb 0.17 -1.56 0.55 0.00 0.21 0.00 0.00 66.02 65.39 1aqr s SER 32 CO 0.66 -0.03 1.44 0.47 0.41 0.00 0.00 173.24 176.19 1aqr n ASP 33 N -1.15 2.51 -2.59 2.44 9.92 -1.26 -4.07 116.55 122.35 1aqr n ASP 33 Ca -0.08 -1.89 -0.07 0.00 -0.53 0.00 0.00 54.79 52.22 1aqr n ASP 33 Cb 0.57 -0.22 0.04 0.00 -0.64 0.00 0.00 41.12 40.87 1aqr n ASP 33 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1aqr n ASP 34 N 0.87 2.54 -1.86 -2.24 8.00 -1.26 -4.71 116.55 117.88 1aqr n ASP 34 Ca 0.17 -2.53 -0.04 0.00 0.71 0.00 0.00 54.79 53.10 1aqr n ASP 34 Cb 0.44 -0.44 0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1aqr n ASP 34 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1aqr n LYS 35 N -0.63 0.71 -3.60 -1.24 4.81 -1.26 -5.07 118.16 111.88 1aqr n LYS 35 Ca 0.18 -1.09 -0.40 0.00 -0.87 0.00 0.00 58.31 56.13 1aqr n LYS 35 Cb 0.85 0.46 -0.09 0.00 0.02 0.00 0.00 35.03 36.27 1aqr n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aqr n PRO 37 N 4.59 2.15 -0.02 0.00 -0.04 -1.26 -4.89 135.00 135.53 1aqr n PRO 37 Ca -0.03 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1aqr n PRO 37 Cb 0.41 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1aqr n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqr h GLY 39 N 0.00 0.00 0.00 0.00 0.00 -1.90 -3.46 103.07 97.71 1aqr h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aqr h GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53