#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 1.37 0.06 2.28 1.01 -1.26 -2.38 121.20 122.29 1sxm s ILE 2 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1sxm s ILE 2 Cb 0.00 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1sxm s ILE 2 CO 0.00 0.32 0.08 2.30 0.00 0.00 0.00 174.94 177.63 1sxm n ILE 3 N 4.81 0.00 -3.49 2.92 -5.35 -0.95 -4.96 119.36 112.34 1sxm n ILE 3 Ca -0.14 -0.23 -0.27 0.00 -0.27 0.00 0.00 62.75 61.84 1sxm n ILE 3 Cb 0.49 -0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 37.52 1sxm n ILE 3 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1sxm n ASN 4 N -2.60 0.82 -3.98 7.28 0.23 -1.26 -4.31 115.26 111.43 1sxm n ASN 4 Ca 0.01 -2.71 -0.25 0.00 -0.53 0.00 0.00 54.58 51.10 1sxm n ASN 4 Cb 0.07 -0.63 -0.17 0.00 -2.08 0.00 0.00 39.78 36.98 1sxm n ASN 4 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sxm s VAL 5 N -0.71 1.05 0.04 3.53 1.01 -1.26 -4.98 120.40 119.07 1sxm s VAL 5 Ca 0.32 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1sxm s VAL 5 Cb 0.05 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1sxm s VAL 5 CO -0.16 0.34 0.87 -0.54 0.00 0.00 0.00 175.10 175.61 1sxm s LYS 6 N 0.92 4.56 0.16 2.72 -0.14 -1.26 -1.43 119.74 125.27 1sxm s LYS 6 Ca -0.10 1.24 -0.02 0.00 -1.36 0.00 0.00 55.97 55.73 1sxm s LYS 6 Cb -0.15 -3.40 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 1sxm s LYS 6 CO 0.01 0.15 0.12 0.00 -0.76 0.00 0.00 175.35 174.86 1sxm n THR 8 N -0.16 0.00 -4.27 0.00 -1.04 -1.26 -4.35 114.28 103.20 1sxm n THR 8 Ca -0.04 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.74 1sxm n THR 8 Cb 0.64 -0.99 -0.08 0.00 -1.82 0.00 0.00 70.33 68.09 1sxm n THR 8 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1sxm s SER 9 N -4.87 4.38 0.38 8.00 1.04 -1.26 -5.05 113.70 116.33 1sxm s SER 9 Ca 0.00 -0.84 0.28 0.00 0.48 0.00 0.00 55.95 55.87 1sxm s SER 9 Cb 0.00 -0.66 1.03 0.00 0.10 0.00 0.00 66.02 66.49 1sxm s SER 9 CO 0.00 -0.17 1.81 -0.65 0.98 0.00 0.00 173.24 175.21 1sxm h PRO 10 N 1.79 0.00 0.00 4.02 0.11 -1.89 -3.12 132.00 132.91 1sxm h PRO 10 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sxm h PRO 10 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sxm h PRO 10 CO 0.64 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.60 1sxm n LYS 11 N -2.66 0.25 0.08 1.05 3.00 -1.26 -1.82 118.16 116.79 1sxm n LYS 11 Ca 0.02 0.31 0.12 0.00 -0.00 0.00 0.00 58.31 58.77 1sxm n LYS 11 Cb 0.32 -1.85 0.28 0.00 0.00 0.00 0.00 35.03 33.78 1sxm n LYS 11 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1sxm n GLN 12 N -2.30 0.27 -0.00 1.64 -0.06 -1.18 -3.60 117.38 112.15 1sxm n GLN 12 Ca 0.04 0.14 0.07 0.00 -2.00 0.00 0.00 57.00 55.24 1sxm n GLN 12 Cb 0.35 -1.73 -0.09 0.00 -4.06 0.00 0.00 30.24 24.71 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 -1.58 0.59 -0.06 0.00 7.64 -0.75 -2.81 113.62 116.64 1sxm n SER 14 Ca 0.00 -0.94 -0.04 0.00 1.01 0.00 0.00 58.87 58.90 1sxm n SER 14 Cb 0.27 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.85 0.00 -0.34 1.43 1.79 -1.75 -3.15 116.57 115.40 1sxm h LYS 15 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1sxm h LYS 15 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1sxm h LYS 15 CO 0.00 0.27 -0.31 -1.00 -1.08 0.00 0.00 179.45 177.33 1sxm h PRO 16 N -1.00 0.81 -0.04 3.15 0.13 -1.80 -3.07 132.00 130.18 1sxm h PRO 16 Ca -0.00 -0.42 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1sxm h PRO 16 Cb 0.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1sxm h PRO 16 CO -0.00 1.05 -0.48 0.00 -0.23 0.00 0.00 178.00 178.34 1sxm n LYS 18 N -3.97 0.35 0.14 0.00 5.02 -1.19 -0.72 118.16 117.79 1sxm n LYS 18 Ca -0.02 -0.18 0.11 0.00 -2.02 0.00 0.00 58.31 56.21 1sxm n LYS 18 Cb 0.51 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.44 0.00 0.00 1.97 4.57 -1.37 -3.20 114.58 116.99 1sxm h GLU 19 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sxm h GLU 19 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1sxm h GLU 19 CO 0.00 0.01 -0.22 1.28 -1.18 0.00 0.00 179.01 178.90 1sxm n LEU 20 N -2.81 0.64 -0.10 1.64 4.77 -0.62 -4.76 117.00 115.76 1sxm n LEU 20 Ca 0.01 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1sxm n LEU 20 Cb 0.55 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1sxm n LEU 20 CO 0.38 -0.48 0.16 -1.22 -1.33 0.00 0.00 177.39 174.91 1sxm n TYR 21 N -3.10 0.00 0.00 -1.77 4.01 0.10 -5.03 117.16 111.37 1sxm n TYR 21 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1sxm n TYR 21 Cb 0.11 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1sxm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sxm n GLY 22 N 1.48 1.99 0.00 2.72 0.00 -1.21 -3.56 105.19 106.61 1sxm n GLY 22 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1sxm n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxm n SER 23 N 3.92 0.00 -3.72 1.61 7.64 -1.26 -4.63 113.62 117.18 1sxm n SER 23 Ca 0.00 -0.14 -0.37 0.00 1.01 0.00 0.00 58.87 59.37 1sxm n SER 23 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1sxm n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1sxm n SER 24 N 0.00 5.76 -4.03 6.43 2.88 -1.23 -4.98 113.62 118.45 1sxm n SER 24 Ca 0.00 -3.49 -0.27 0.00 -1.33 0.00 0.00 58.87 53.78 1sxm n SER 24 Cb 0.03 -1.05 -0.17 0.00 -0.75 0.00 0.00 64.21 62.28 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 -3.01 1.52 -0.84 -1.46 0.00 -1.22 -3.82 121.76 112.93 1sxm s ALA 25 Ca 0.36 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 1sxm s ALA 25 Cb 0.11 -0.76 0.22 0.00 0.00 0.00 0.00 23.12 22.69 1sxm s ALA 25 CO 0.03 -0.05 0.76 0.20 0.00 0.00 0.00 175.76 176.70 1sxm s GLY 26 N 0.96 2.75 -0.36 0.00 0.00 -1.12 -4.32 107.32 105.23 1sxm s GLY 26 Ca -0.08 -3.43 -0.16 0.00 0.00 0.00 0.00 44.72 41.05 1sxm s GLY 26 CO -0.01 1.24 0.42 0.00 0.00 0.00 0.00 173.10 174.76 1sxm s ALA 27 N -0.19 3.48 0.01 3.20 0.00 -1.26 -1.76 121.76 125.23 1sxm s ALA 27 Ca 0.20 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 51.04 1sxm s ALA 27 Cb -0.12 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1sxm s ALA 27 CO -0.08 -1.22 -0.25 0.15 0.00 0.00 0.00 175.76 174.36 1sxm s LYS 28 N 2.16 2.00 -0.25 0.00 -0.14 -0.96 -4.85 119.74 117.71 1sxm s LYS 28 Ca 0.14 -1.00 0.02 0.00 -1.36 0.00 0.00 55.97 53.77 1sxm s LYS 28 Cb -0.16 -2.03 0.06 0.00 -1.68 0.00 0.00 37.83 34.01 1sxm s LYS 28 CO 0.13 0.54 -0.09 0.00 -0.76 0.00 0.00 175.35 175.17 1sxm s MET 30 N 1.22 2.87 0.90 0.00 -1.94 -1.08 -4.86 119.30 116.41 1sxm s MET 30 Ca -0.07 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1sxm s MET 30 Cb -0.19 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.26 1sxm s MET 30 CO -0.06 -0.09 0.00 0.09 -0.01 0.00 0.00 175.02 174.96 1sxm n ASN 31 N 4.27 0.00 -2.68 3.03 3.02 -1.26 -2.46 115.26 119.19 1sxm n ASN 31 Ca -0.20 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.30 1sxm n ASN 31 Cb 0.51 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.74 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxm n GLY 32 N 0.00 -0.46 3.31 7.41 0.00 -1.26 -4.91 105.19 109.28 1sxm n GLY 32 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 0.09 0.84 -0.02 1.61 1.02 -1.03 -3.25 119.74 119.01 1sxm s LYS 33 Ca 0.14 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 1sxm s LYS 33 Cb 0.22 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.87 1sxm s LYS 33 CO -0.09 -0.26 0.06 0.00 -0.92 0.00 0.00 175.35 174.13 1sxm s LYS 35 N -1.55 1.57 -0.16 0.00 1.02 -0.65 -2.25 119.74 117.72 1sxm s LYS 35 Ca 0.21 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.52 1sxm s LYS 35 Cb -0.12 -1.51 0.03 0.00 -0.52 0.00 0.00 37.83 35.71 1sxm s LYS 35 CO 0.11 0.40 -0.14 0.00 -0.92 0.00 0.00 175.35 174.80 1sxm n TYR 37 N 4.73 -0.05 -3.75 0.00 4.01 -0.72 -1.76 117.16 119.62 1sxm n TYR 37 Ca -0.17 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.27 1sxm n TYR 37 Cb 0.49 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.49 3.89 0.00 7.72 -0.87 -1.26 -2.78 114.94 122.13 1sxm s ASN 38 Ca 0.00 -2.24 0.00 0.00 -1.57 0.00 0.00 52.86 49.05 1sxm s ASN 38 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 41.25 40.20 1sxm s ASN 38 CO 0.00 -0.33 0.00 0.59 -2.57 0.00 0.00 177.10 174.79