#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbh n GLN 2 N 0.00 2.01 -4.44 -0.78 -0.06 -0.16 -4.91 117.38 109.05 2cbh n GLN 2 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.74 2cbh n GLN 2 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 2cbh n GLN 2 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2cbh n SER 3 N -1.04 1.59 -4.75 1.69 3.41 -1.26 -3.18 113.62 110.08 2cbh n SER 3 Ca 0.00 -3.17 -0.41 0.00 -0.26 0.00 0.00 58.87 55.03 2cbh n SER 3 Cb 0.00 0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 2cbh n SER 3 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2cbh s HIS 4 N -3.03 3.13 -1.57 7.33 2.46 -1.26 -1.36 115.29 120.99 2cbh s HIS 4 Ca 0.17 1.22 0.00 0.00 0.47 0.00 0.00 55.06 56.92 2cbh s HIS 4 Cb 0.01 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 2cbh s HIS 4 CO 0.12 -2.09 0.00 0.66 -2.47 0.00 0.00 174.74 170.96 2cbh n TYR 5 N 2.01 -0.04 -3.77 3.88 4.01 0.19 -4.95 117.16 118.49 2cbh n TYR 5 Ca 0.04 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.47 2cbh n TYR 5 Cb 0.42 -2.66 -0.05 0.00 -0.31 0.00 0.00 39.34 36.75 2cbh n TYR 5 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2cbh s GLY 6 N -2.82 2.22 -0.30 2.72 0.00 -0.47 -4.67 107.32 104.01 2cbh s GLY 6 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 2cbh s GLY 6 CO 0.00 -0.57 1.27 1.62 0.00 0.00 0.00 173.10 175.42 2cbh s GLN 7 N -2.42 3.94 0.07 2.90 0.74 -1.26 0.56 119.66 124.19 2cbh s GLN 7 Ca 0.36 1.22 0.22 0.00 0.05 0.00 0.00 55.36 57.22 2cbh s GLN 7 Cb -0.13 -3.86 -0.16 0.00 1.10 0.00 0.00 33.01 29.97 2cbh s GLN 7 CO 0.24 -1.08 0.77 0.00 -0.55 0.00 0.00 175.29 174.67 2cbh n GLY 9 N 1.25 1.76 0.00 0.00 0.00 -1.10 -3.96 105.19 103.14 2cbh n GLY 9 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2cbh n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cbh n GLY 10 N -0.02 3.85 3.44 -0.02 0.00 -1.26 -0.35 105.19 110.83 2cbh n GLY 10 Ca -0.00 -1.36 -0.44 0.00 0.00 0.00 0.00 46.02 44.22 2cbh n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cbh n ILE 11 N -0.07 1.71 0.00 -0.61 5.41 -1.24 -1.02 119.36 123.54 2cbh n ILE 11 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2cbh n ILE 11 Cb 0.00 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 2cbh n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cbh n GLY 12 N 1.83 2.81 3.88 7.39 0.00 -1.26 -4.73 105.19 115.12 2cbh n GLY 12 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2cbh n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2cbh s TYR 13 N -2.15 3.60 0.00 1.61 5.04 -0.19 -4.99 117.35 120.28 2cbh s TYR 13 Ca 0.00 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 2cbh s TYR 13 Cb 0.00 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 39.74 2cbh s TYR 13 CO 0.00 -0.53 0.14 -1.13 -1.34 0.00 0.00 175.55 172.69 2cbh n SER 14 N -2.53 0.00 -4.80 4.32 3.41 -1.26 -4.96 113.62 107.79 2cbh n SER 14 Ca 0.04 -1.00 -0.24 0.00 -0.26 0.00 0.00 58.87 57.41 2cbh n SER 14 Cb 0.54 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.57 2cbh n SER 14 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cbh s GLY 15 N 0.00 1.77 1.06 5.00 0.00 -1.26 -5.06 107.32 108.83 2cbh s GLY 15 Ca 0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 44.72 43.23 2cbh s GLY 15 CO 0.00 -0.92 0.91 -1.05 0.00 0.00 0.00 173.10 172.04 2cbh n PRO 16 N -2.76 -1.50 -0.11 2.90 -0.01 -1.26 -4.93 135.00 127.33 2cbh n PRO 16 Ca 0.11 -0.39 0.03 0.00 -0.01 0.00 0.00 63.50 63.23 2cbh n PRO 16 Cb 0.60 -2.17 0.04 0.00 -0.01 0.00 0.00 33.50 31.96 2cbh n PRO 16 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2cbh n THR 17 N -4.56 0.83 -2.80 3.45 -2.24 -1.25 -4.71 114.28 102.99 2cbh n THR 17 Ca 0.06 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.49 2cbh n THR 17 Cb 0.54 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 2cbh n THR 17 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2cbh s VAL 18 N -1.09 4.59 0.41 2.28 1.01 -1.26 -4.74 120.40 121.60 2cbh s VAL 18 Ca 0.08 1.25 -0.23 0.00 0.00 0.00 0.00 61.98 63.08 2cbh s VAL 18 Cb 0.07 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2cbh s VAL 18 CO 0.01 -0.51 1.00 0.00 0.00 0.00 0.00 175.10 175.60 2cbh n ALA 20 N -0.26 -3.76 -1.74 0.00 0.00 -1.19 -4.77 120.51 108.78 2cbh n ALA 20 Ca 0.06 -1.30 -0.38 0.00 0.00 0.00 0.00 53.44 51.82 2cbh n ALA 20 Cb 0.51 -1.68 0.05 0.00 0.00 0.00 0.00 19.45 18.34 2cbh n ALA 20 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cbh s SER 21 N -2.07 4.94 0.00 0.00 0.01 -1.26 -1.98 113.70 113.34 2cbh s SER 21 Ca 0.61 2.69 0.00 0.00 1.31 0.00 0.00 55.95 60.56 2cbh s SER 21 Cb -0.17 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2cbh s SER 21 CO 0.65 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 173.13 2cbh n GLY 22 N 0.80 2.87 3.47 3.44 0.00 -1.26 -4.98 105.19 109.54 2cbh n GLY 22 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2cbh n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cbh s THR 23 N -2.77 1.77 0.15 2.61 -4.23 -0.84 -4.99 115.64 107.35 2cbh s THR 23 Ca 0.00 -2.13 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 2cbh s THR 23 Cb 0.00 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 2cbh s THR 23 CO 0.00 -0.24 0.17 0.42 -0.54 0.00 0.00 174.62 174.43 2cbh s THR 24 N -2.92 0.07 -0.06 3.99 -4.23 -0.27 -4.60 115.64 107.62 2cbh s THR 24 Ca 0.31 -1.69 -0.28 0.00 -1.18 0.00 0.00 61.69 58.85 2cbh s THR 24 Cb 0.04 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 2cbh s THR 24 CO 0.14 -0.34 0.89 0.00 -0.54 0.00 0.00 174.62 174.77 2cbh s GLN 26 N 1.34 2.56 -0.08 0.00 -1.52 0.95 -4.95 119.66 117.96 2cbh s GLN 26 Ca 0.46 -1.02 -0.30 0.00 -1.95 0.00 0.00 55.36 52.55 2cbh s GLN 26 Cb -0.19 -2.66 -0.04 0.00 -0.22 0.00 0.00 33.01 29.90 2cbh s GLN 26 CO 0.21 -0.38 1.45 0.08 -0.25 0.00 0.00 175.29 176.40 2cbh s VAL 27 N 1.24 3.87 -0.16 1.09 1.01 -1.26 -1.17 120.40 125.02 2cbh s VAL 27 Ca -0.01 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.96 2cbh s VAL 27 Cb -0.16 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2cbh s VAL 27 CO -0.09 -0.07 -0.08 -0.11 0.00 0.00 0.00 175.10 174.74 2cbh n LEU 28 N 6.47 1.82 -3.87 3.92 7.94 -0.15 -4.94 117.00 128.19 2cbh n LEU 28 Ca 0.15 0.58 -0.10 0.00 -1.11 0.00 0.00 56.01 55.53 2cbh n LEU 28 Cb 0.44 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.49 2cbh n LEU 28 CO 0.59 -0.27 0.43 0.54 -1.11 0.00 0.00 177.39 177.57 2cbh s ASN 29 N -6.04 0.11 0.00 1.96 2.20 -1.00 -5.01 114.94 107.17 2cbh s ASN 29 Ca -0.19 -1.11 0.00 0.00 -0.94 0.00 0.00 52.86 50.63 2cbh s ASN 29 Cb 0.03 0.79 0.00 0.00 -2.00 0.00 0.00 41.25 40.07 2cbh s ASN 29 CO 0.32 -1.54 0.29 -2.65 -2.94 0.00 0.00 177.10 170.58 2cbh n PRO 30 N -0.52 0.33 -0.24 3.55 -0.02 -1.26 -1.88 135.00 134.96 2cbh n PRO 30 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2cbh n PRO 30 Cb 0.60 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2cbh n PRO 30 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2cbh n TYR 31 N 0.72 0.00 -3.64 6.00 4.02 -1.26 -3.66 117.16 119.33 2cbh n TYR 31 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 2cbh n TYR 31 Cb 0.14 0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 39.54 2cbh n TYR 31 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2cbh s TYR 32 N 0.00 -0.20 -0.16 -0.72 5.04 -0.79 -4.37 117.35 116.15 2cbh s TYR 32 Ca 0.00 0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 55.07 2cbh s TYR 32 Cb 0.00 0.44 0.07 0.00 0.35 0.00 0.00 41.96 42.83 2cbh s TYR 32 CO 0.00 -0.10 0.18 -1.12 -1.34 0.00 0.00 175.55 173.17 2cbh s SER 33 N 0.02 1.31 0.40 4.32 0.01 0.53 -0.97 113.70 119.31 2cbh s SER 33 Ca 0.06 -0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 2cbh s SER 33 Cb -0.05 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2cbh s SER 33 CO -0.12 -0.30 0.67 -1.58 0.41 0.00 0.00 173.24 172.32 2cbh s GLN 34 N 2.29 3.57 -0.37 12.44 0.74 -0.32 0.48 119.66 138.50 2cbh s GLN 34 Ca 0.05 0.05 -0.14 0.00 0.05 0.00 0.00 55.36 55.36 2cbh s GLN 34 Cb -0.15 -2.51 0.00 0.00 1.10 0.00 0.00 33.01 31.45 2cbh s GLN 34 CO -0.10 -0.00 0.28 0.00 -0.55 0.00 0.00 175.29 174.92