#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbh s GLN 2 N 0.00 4.06 0.04 -2.82 1.11 -0.63 -4.90 119.66 116.51 2cbh s GLN 2 Ca 0.00 0.60 0.00 0.00 0.01 0.00 0.00 55.36 55.97 2cbh s GLN 2 Cb 0.00 -2.96 0.01 0.00 -1.01 0.00 0.00 33.01 29.05 2cbh s GLN 2 CO 0.00 0.48 0.05 -1.13 0.01 0.00 0.00 175.29 174.70 2cbh n SER 3 N 0.90 0.10 -4.75 5.90 3.41 -1.26 0.73 113.62 118.65 2cbh n SER 3 Ca -0.05 -1.08 -0.41 0.00 -0.26 0.00 0.00 58.87 57.06 2cbh n SER 3 Cb 0.52 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.40 2.79 -1.01 7.33 5.65 -1.26 -0.92 115.29 128.27 2cbh s HIS 4 Ca 0.04 0.80 0.00 0.00 0.25 0.00 0.00 55.06 56.15 2cbh s HIS 4 Cb -0.00 -4.04 0.00 0.00 -1.18 0.00 0.00 32.58 27.36 2cbh s HIS 4 CO 0.02 -3.49 0.00 0.66 -0.65 0.00 0.00 174.74 171.29 2cbh n TYR 5 N 2.23 -0.20 -3.14 3.88 4.01 -0.00 -5.00 117.16 118.93 2cbh n TYR 5 Ca 0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.52 2cbh n TYR 5 Cb 0.38 -2.17 -0.04 0.00 -0.31 0.00 0.00 39.34 37.20 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 -2.75 1.97 -0.42 2.72 0.00 -0.09 -4.71 107.32 104.04 2cbh s GLY 6 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 2cbh s GLY 6 CO 0.00 -0.19 0.70 1.62 0.00 0.00 0.00 173.10 175.23 2cbh s GLN 7 N -3.55 3.42 -0.00 2.90 0.74 -1.26 -0.53 119.66 121.38 2cbh s GLN 7 Ca 0.48 -0.16 0.22 0.00 0.05 0.00 0.00 55.36 55.94 2cbh s GLN 7 Cb -0.11 -3.91 -0.27 0.00 1.10 0.00 0.00 33.01 29.82 2cbh s GLN 7 CO 0.29 -0.99 0.55 0.00 -0.55 0.00 0.00 175.29 174.59 2cbh n GLY 9 N 1.30 4.04 0.00 0.00 0.00 -1.16 -4.12 105.19 105.25 2cbh n GLY 9 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 1.04 3.46 -0.02 0.00 -1.26 -1.84 105.19 106.56 2cbh n GLY 10 Ca 0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 2.39 1.79 -0.86 -0.61 5.41 -1.24 -1.39 119.36 124.84 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 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 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 1.78 0.58 3.41 7.39 0.00 -1.26 -4.50 105.19 112.60 2cbh n GLY 12 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 2.96 -0.01 1.61 5.04 -0.49 -4.96 117.35 119.44 2cbh s TYR 13 Ca 0.00 -0.57 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 2cbh s TYR 13 Cb 0.00 -2.00 0.03 0.00 0.35 0.00 0.00 41.96 40.34 2cbh s TYR 13 CO 0.00 -0.25 1.00 -1.13 -1.34 0.00 0.00 175.55 173.84 2cbh n SER 14 N 4.00 1.99 -3.44 4.32 3.41 -1.26 -4.91 113.62 117.73 2cbh n SER 14 Ca -0.18 -2.09 -0.17 0.00 -0.26 0.00 0.00 58.87 56.17 2cbh n SER 14 Cb 0.52 -0.04 0.11 0.00 -0.26 0.00 0.00 64.21 64.54 2cbh n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cbh n GLY 15 N -0.58 -0.48 3.75 5.00 0.00 -1.26 -5.05 105.19 106.57 2cbh n GLY 15 Ca 0.02 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 2cbh n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cbh s PRO 16 N -4.59 1.99 -0.27 1.61 0.04 -1.26 -4.97 135.00 127.55 2cbh s PRO 16 Ca 0.47 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2cbh s PRO 16 Cb -0.02 -1.87 0.45 0.00 0.04 0.00 0.00 34.50 33.10 2cbh s PRO 16 CO 0.32 -1.81 1.19 0.25 0.04 0.00 0.00 177.00 177.00 2cbh n THR 17 N -3.63 2.43 -4.07 1.26 -2.24 -1.26 -4.49 114.28 102.28 2cbh n THR 17 Ca 0.09 -3.99 -0.32 0.00 -2.27 0.00 0.00 64.05 57.56 2cbh n THR 17 Cb 0.53 -0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 67.71 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 -4.30 2.15 0.64 2.28 1.01 -1.26 -4.98 120.40 115.94 2cbh s VAL 18 Ca 0.48 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 2cbh s VAL 18 Cb 0.40 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2cbh s VAL 18 CO 0.02 0.02 1.05 0.00 0.00 0.00 0.00 175.10 176.19 2cbh s ALA 20 N -2.80 2.79 0.32 0.00 0.00 0.22 -4.75 121.76 117.54 2cbh s ALA 20 Ca 0.60 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 2cbh s ALA 20 Cb -0.14 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 2cbh s ALA 20 CO 0.47 -0.52 0.59 0.43 0.00 0.00 0.00 175.76 176.73 2cbh n SER 21 N -1.11 -0.73 0.00 0.00 7.64 -1.26 -1.71 113.62 116.45 2cbh n SER 21 Ca 0.10 1.03 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2cbh n SER 21 Cb 0.52 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 2cbh n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cbh n GLY 22 N 1.79 3.27 3.79 0.23 0.00 -1.26 -5.03 105.19 107.97 2cbh n GLY 22 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.94 1.52 0.02 2.61 -4.23 -0.69 -5.04 115.64 106.90 2cbh s THR 23 Ca 0.00 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2cbh s THR 23 Cb 0.00 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2cbh s THR 23 CO 0.00 0.00 0.18 0.42 -0.54 0.00 0.00 174.62 174.68 2cbh s THR 24 N -2.80 0.10 -0.05 3.99 -4.23 -1.26 -4.79 115.64 106.60 2cbh s THR 24 Ca 0.21 -0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 59.64 2cbh s THR 24 Cb 0.01 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 73.12 2cbh s THR 24 CO 0.12 -0.44 0.98 0.00 -0.54 0.00 0.00 174.62 174.74 2cbh s GLN 26 N 1.44 0.41 0.28 0.00 -0.21 0.19 -4.96 119.66 116.82 2cbh s GLN 26 Ca 0.50 0.08 -0.30 0.00 0.02 0.00 0.00 55.36 55.65 2cbh s GLN 26 Cb -0.20 -0.64 -0.11 0.00 1.00 0.00 0.00 33.01 33.06 2cbh s GLN 26 CO 0.23 -0.18 1.61 0.08 -2.12 0.00 0.00 175.29 174.91 2cbh s VAL 27 N 1.31 2.08 -0.26 1.09 1.01 -1.26 -1.00 120.40 123.37 2cbh s VAL 27 Ca -0.06 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2cbh s VAL 27 Cb -0.13 -3.04 -0.15 0.00 0.00 0.00 0.00 36.38 33.06 2cbh s VAL 27 CO -0.02 0.01 -0.23 -0.11 0.00 0.00 0.00 175.10 174.75 2cbh n LEU 28 N 2.43 2.17 -3.82 3.92 -0.00 0.97 -4.77 117.00 117.90 2cbh n LEU 28 Ca 0.09 0.25 -0.06 0.00 -0.00 0.00 0.00 56.01 56.30 2cbh n LEU 28 Cb 0.37 -0.87 -0.01 0.00 -0.00 0.00 0.00 43.42 42.91 2cbh n LEU 28 CO 0.64 0.62 0.58 0.54 -0.00 0.00 0.00 177.39 179.77 2cbh s ASN 29 N -7.21 -0.18 0.00 1.96 2.20 0.16 -4.98 114.94 106.89 2cbh s ASN 29 Ca -0.36 -0.63 0.00 0.00 -0.94 0.00 0.00 52.86 50.93 2cbh s ASN 29 Cb 0.12 0.66 0.00 0.00 -2.00 0.00 0.00 41.25 40.03 2cbh s ASN 29 CO 0.54 -1.23 0.28 -2.65 -2.94 0.00 0.00 177.10 171.10 2cbh n PRO 30 N -0.49 0.39 -0.31 3.55 -0.02 -1.26 -1.44 135.00 135.42 2cbh n PRO 30 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2cbh n PRO 30 Cb 0.60 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 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 0.53 0.00 -3.48 6.00 4.02 -1.26 -3.70 117.16 119.27 2cbh n TYR 31 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2cbh n TYR 31 Cb 0.14 0.13 -0.05 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 -0.31 -0.20 -0.72 5.04 -0.52 -4.34 117.35 116.30 2cbh s TYR 32 Ca 0.00 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 2cbh s TYR 32 Cb 0.00 0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.54 2cbh s TYR 32 CO 0.00 -0.15 -0.06 -1.12 -1.34 0.00 0.00 175.55 172.87 2cbh s SER 33 N 1.65 3.29 0.18 4.32 0.01 -0.77 -0.02 113.70 122.37 2cbh s SER 33 Ca -0.05 -0.89 -0.07 0.00 1.31 0.00 0.00 55.95 56.25 2cbh s SER 33 Cb -0.03 -1.06 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 2cbh s SER 33 CO -0.14 -0.20 0.46 -1.58 0.41 0.00 0.00 173.24 172.20 2cbh s GLN 34 N 1.51 3.72 -0.39 12.44 2.00 -0.17 -1.36 119.66 137.41 2cbh s GLN 34 Ca -0.02 0.11 -0.12 0.00 -2.00 0.00 0.00 55.36 53.32 2cbh s GLN 34 Cb -0.17 -2.75 0.03 0.00 0.80 0.00 0.00 33.01 30.91 2cbh s GLN 34 CO -0.07 0.40 0.24 0.00 -0.50 0.00 0.00 175.29 175.35