#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxm s ILE 2 N 0.00 1.29 0.25 2.28 1.01 -1.26 -2.93 121.20 121.84 1sxm s ILE 2 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1sxm s ILE 2 Cb 0.00 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.34 1sxm s ILE 2 CO 0.00 0.39 0.22 2.30 0.00 0.00 0.00 174.94 177.84 1sxm n ILE 3 N 3.70 0.00 -3.62 2.92 -5.35 -1.06 -4.94 119.36 111.01 1sxm n ILE 3 Ca -0.22 -0.97 -0.28 0.00 -0.27 0.00 0.00 62.75 61.01 1sxm n ILE 3 Cb 0.52 -0.37 -0.11 0.00 -1.74 0.00 0.00 39.64 37.94 1sxm n ILE 3 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1sxm s ASN 4 N -2.50 2.97 -0.06 7.28 0.01 -1.26 -4.32 114.94 117.07 1sxm s ASN 4 Ca 0.16 -3.40 0.02 0.00 -0.71 0.00 0.00 52.86 48.93 1sxm s ASN 4 Cb -0.01 -0.97 0.02 0.00 0.41 0.00 0.00 41.25 40.69 1sxm s ASN 4 CO 0.10 -0.14 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.78 1sxm s VAL 5 N -0.60 0.88 0.14 1.60 1.01 -1.26 -4.98 120.40 117.18 1sxm s VAL 5 Ca 0.29 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1sxm s VAL 5 Cb -0.01 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1sxm s VAL 5 CO -0.18 0.30 0.96 -0.54 0.00 0.00 0.00 175.10 175.64 1sxm s LYS 6 N 0.78 4.73 0.24 2.72 -0.14 -1.26 -1.43 119.74 125.37 1sxm s LYS 6 Ca -0.13 1.47 -0.03 0.00 -1.36 0.00 0.00 55.97 55.92 1sxm s LYS 6 Cb -0.15 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.62 1sxm s LYS 6 CO 0.02 0.27 0.27 0.00 -0.76 0.00 0.00 175.35 175.15 1sxm n THR 8 N -0.37 0.00 -3.60 0.00 5.66 -1.26 -4.37 114.28 110.34 1sxm n THR 8 Ca 0.02 -0.10 -0.08 0.00 -3.05 0.00 0.00 64.05 60.84 1sxm n THR 8 Cb 0.64 0.31 -0.05 0.00 -1.55 0.00 0.00 70.33 69.68 1sxm n THR 8 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1sxm s SER 9 N -0.62 -0.27 0.37 1.09 1.04 -1.26 -5.04 113.70 109.02 1sxm s SER 9 Ca 0.03 0.30 0.27 0.00 0.48 0.00 0.00 55.95 57.03 1sxm s SER 9 Cb 0.04 0.23 1.07 0.00 0.10 0.00 0.00 66.02 67.45 1sxm s SER 9 CO -0.02 -0.24 1.81 -0.65 0.98 0.00 0.00 173.24 175.12 1sxm h PRO 10 N 2.44 0.00 0.00 4.02 0.11 -1.89 -3.07 132.00 133.61 1sxm h PRO 10 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1sxm h PRO 10 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sxm h PRO 10 CO 0.28 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.70 1sxm n LYS 11 N -2.60 0.04 0.02 1.05 4.76 -1.26 -1.91 118.16 118.26 1sxm n LYS 11 Ca 0.02 0.06 0.12 0.00 -2.87 0.00 0.00 58.31 55.64 1sxm n LYS 11 Cb 0.29 -1.55 0.21 0.00 -1.84 0.00 0.00 35.03 32.15 1sxm n LYS 11 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1sxm n GLN 12 N -1.62 0.09 -0.00 1.97 -0.06 -1.16 -3.93 117.38 112.67 1sxm n GLN 12 Ca 0.06 0.02 0.05 0.00 -2.00 0.00 0.00 57.00 55.14 1sxm n GLN 12 Cb 0.34 -1.55 -0.07 0.00 -4.06 0.00 0.00 30.24 24.90 1sxm n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sxm n SER 14 N -1.49 0.50 -0.05 0.00 7.64 -0.81 -2.93 113.62 116.49 1sxm n SER 14 Ca 0.01 -0.99 -0.01 0.00 1.01 0.00 0.00 58.87 58.88 1sxm n SER 14 Cb 0.21 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 1sxm n SER 14 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1sxm h LYS 15 N 0.75 0.00 -0.32 1.43 1.57 -1.75 -3.16 116.57 115.08 1sxm h LYS 15 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1sxm h LYS 15 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1sxm h LYS 15 CO 0.00 0.09 -0.46 -1.00 -0.57 0.00 0.00 179.45 177.51 1sxm h PRO 16 N -1.00 0.88 -0.06 3.15 0.13 -1.82 -3.06 132.00 130.23 1sxm h PRO 16 Ca -0.00 -0.52 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 1sxm h PRO 16 Cb 0.11 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1sxm h PRO 16 CO -0.00 1.16 -0.46 0.00 -0.23 0.00 0.00 178.00 178.47 1sxm n LYS 18 N -3.99 0.44 0.13 0.00 5.02 -1.19 -0.75 118.16 117.81 1sxm n LYS 18 Ca -0.02 -0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1sxm n LYS 18 Cb 0.50 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 34.09 1sxm n LYS 18 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1sxm h GLU 19 N 0.54 0.00 0.00 1.97 4.81 -1.37 -3.23 114.58 117.30 1sxm h GLU 19 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sxm h GLU 19 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1sxm h GLU 19 CO 0.00 0.00 -0.18 1.28 -0.73 0.00 0.00 179.01 179.38 1sxm n LEU 20 N -2.70 0.49 -0.03 1.64 4.77 -0.66 -4.77 117.00 115.74 1sxm n LEU 20 Ca 0.02 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.36 1sxm n LEU 20 Cb 0.53 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1sxm n LEU 20 CO 0.38 -0.47 0.24 -1.22 -1.33 0.00 0.00 177.39 174.99 1sxm n TYR 21 N -2.93 0.00 0.00 -1.77 4.02 0.07 -5.03 117.16 111.52 1sxm n TYR 21 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1sxm n TYR 21 Cb 0.09 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1sxm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sxm n GLY 22 N 1.49 2.05 0.00 2.72 0.00 -1.22 -3.74 105.19 106.48 1sxm n GLY 22 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1sxm n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sxm n SER 23 N 3.28 0.00 -3.88 1.61 2.88 -1.26 -4.65 113.62 111.60 1sxm n SER 23 Ca 0.00 -0.15 -0.39 0.00 -1.33 0.00 0.00 58.87 57.00 1sxm n SER 23 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1sxm n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1sxm n SER 24 N 0.00 5.63 -3.94 -3.46 2.88 -1.25 -4.94 113.62 108.54 1sxm n SER 24 Ca 0.00 -3.39 -0.26 0.00 -1.33 0.00 0.00 58.87 53.89 1sxm n SER 24 Cb 0.04 -1.12 -0.17 0.00 -0.75 0.00 0.00 64.21 62.21 1sxm n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxm s ALA 25 N -2.58 1.30 -0.99 -1.46 0.00 -1.26 -3.69 121.76 113.08 1sxm s ALA 25 Ca 0.33 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1sxm s ALA 25 Cb 0.06 -0.80 0.23 0.00 0.00 0.00 0.00 23.12 22.61 1sxm s ALA 25 CO 0.06 -0.25 1.00 0.20 0.00 0.00 0.00 175.76 176.77 1sxm s GLY 26 N 1.37 2.81 -0.36 0.00 0.00 -1.20 -4.55 107.32 105.39 1sxm s GLY 26 Ca -0.01 -3.49 -0.18 0.00 0.00 0.00 0.00 44.72 41.04 1sxm s GLY 26 CO -0.05 1.42 0.49 0.00 0.00 0.00 0.00 173.10 174.96 1sxm s ALA 27 N -0.08 3.47 0.01 3.20 0.00 -1.26 -1.98 121.76 125.12 1sxm s ALA 27 Ca 0.27 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.20 1sxm s ALA 27 Cb -0.09 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1sxm s ALA 27 CO -0.08 -1.25 -0.22 0.15 0.00 0.00 0.00 175.76 174.36 1sxm s LYS 28 N 2.32 1.69 -0.23 0.00 1.02 -0.92 -4.82 119.74 118.80 1sxm s LYS 28 Ca 0.17 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.29 1sxm s LYS 28 Cb -0.16 -1.71 0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1sxm s LYS 28 CO 0.13 0.46 -0.11 0.00 -0.92 0.00 0.00 175.35 174.91 1sxm s MET 30 N 1.27 2.75 0.92 0.00 -1.94 -1.05 -4.86 119.30 116.40 1sxm s MET 30 Ca -0.04 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 1sxm s MET 30 Cb -0.18 -2.30 0.00 0.00 2.01 0.00 0.00 34.83 34.36 1sxm s MET 30 CO -0.07 -0.09 0.00 0.09 -0.01 0.00 0.00 175.02 174.94 1sxm n ASN 31 N 4.29 0.00 -2.68 3.03 4.13 -1.26 -2.41 115.26 120.36 1sxm n ASN 31 Ca -0.20 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.01 1sxm n ASN 31 Cb 0.51 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.82 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sxm n GLY 32 N 0.00 -0.32 3.35 7.41 0.00 -1.26 -4.88 105.19 109.49 1sxm n GLY 32 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1sxm n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxm s LYS 33 N 0.11 0.89 -0.02 1.61 1.02 -1.01 -3.41 119.74 118.93 1sxm s LYS 33 Ca 0.15 -0.15 -0.00 0.00 0.02 0.00 0.00 55.97 55.99 1sxm s LYS 33 Cb 0.23 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.91 1sxm s LYS 33 CO -0.09 -0.29 0.04 0.00 -0.92 0.00 0.00 175.35 174.10 1sxm s LYS 35 N -1.51 1.69 -0.22 0.00 1.02 -0.49 -2.58 119.74 117.65 1sxm s LYS 35 Ca 0.20 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.47 1sxm s LYS 35 Cb -0.12 -1.61 0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1sxm s LYS 35 CO 0.10 0.42 -0.07 0.00 -0.92 0.00 0.00 175.35 174.89 1sxm n TYR 37 N 4.67 0.00 -4.15 0.00 4.01 -0.84 -4.57 117.16 116.28 1sxm n TYR 37 Ca -0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.49 1sxm n TYR 37 Cb 0.45 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.37 1sxm n TYR 37 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1sxm s ASN 38 N 0.16 1.22 0.00 7.72 -0.87 -1.26 -3.26 114.94 118.66 1sxm s ASN 38 Ca 0.00 -0.84 0.28 0.00 -1.57 0.00 0.00 52.86 50.73 1sxm s ASN 38 Cb 0.00 0.05 1.05 0.00 -0.02 0.00 0.00 41.25 42.32 1sxm s ASN 38 CO 0.00 -0.33 1.74 0.59 -2.57 0.00 0.00 177.10 176.54