#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 4.53 0.44 2.28 1.01 -1.26 -1.98 121.20 126.22 1sxm s ILE 2 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1sxm s ILE 2 Cb 0.00 -3.11 0.06 0.00 0.01 0.00 0.00 42.46 39.41 1sxm s ILE 2 CO 0.00 0.35 0.46 2.30 0.00 0.00 0.00 174.94 178.04 1sxm n ILE 3 N 4.72 0.00 -3.56 2.92 -5.35 -1.07 -4.98 119.36 112.04 1sxm n ILE 3 Ca -0.16 -1.61 -0.27 0.00 -0.27 0.00 0.00 62.75 60.44 1sxm n ILE 3 Cb 0.52 -0.35 -0.10 0.00 -1.74 0.00 0.00 39.64 37.97 1sxm n ILE 3 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1sxm n ASN 4 N -2.15 2.05 -4.02 7.28 4.13 -1.26 -4.20 115.26 117.09 1sxm n ASN 4 Ca 0.05 -3.02 -0.27 0.00 1.68 0.00 0.00 54.58 53.02 1sxm n ASN 4 Cb 0.48 -0.67 -0.17 0.00 -1.54 0.00 0.00 39.78 37.88 1sxm n ASN 4 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1sxm s VAL 5 N -1.37 1.34 0.07 2.41 1.01 -1.26 -4.98 120.40 117.61 1sxm s VAL 5 Ca 0.32 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1sxm s VAL 5 Cb 0.06 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1sxm s VAL 5 CO -0.13 0.41 0.94 -0.54 0.00 0.00 0.00 175.10 175.79 1sxm s LYS 6 N 1.02 4.63 0.20 2.72 -0.14 -1.26 -1.48 119.74 125.44 1sxm s LYS 6 Ca -0.07 1.39 -0.02 0.00 -1.36 0.00 0.00 55.97 55.92 1sxm s LYS 6 Cb -0.15 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 1sxm s LYS 6 CO -0.01 0.14 0.16 0.00 -0.76 0.00 0.00 175.35 174.87 1sxm n THR 8 N -0.28 0.00 -3.59 0.00 5.66 -1.26 -4.37 114.28 110.44 1sxm n THR 8 Ca 0.02 -0.09 -0.09 0.00 -3.05 0.00 0.00 64.05 60.83 1sxm n THR 8 Cb 0.66 0.32 -0.05 0.00 -1.55 0.00 0.00 70.33 69.70 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 -0.63 -0.33 0.36 1.09 1.04 -1.26 -5.04 113.70 108.93 1sxm s SER 9 Ca 0.03 0.38 0.27 0.00 0.48 0.00 0.00 55.95 57.11 1sxm s SER 9 Cb 0.03 0.29 1.05 0.00 0.10 0.00 0.00 66.02 67.50 1sxm s SER 9 CO -0.02 -0.29 1.80 -0.65 0.98 0.00 0.00 173.24 175.06 1sxm h PRO 10 N 2.57 0.00 -0.00 4.02 0.11 -1.89 -3.01 132.00 133.80 1sxm h PRO 10 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 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 0.29 0.00 -0.04 1.63 -0.21 0.00 0.00 178.00 179.67 1sxm n LYS 11 N -2.56 0.76 0.00 1.05 4.76 -1.26 -2.02 118.16 118.89 1sxm n LYS 11 Ca 0.02 -0.14 0.12 0.00 -2.87 0.00 0.00 58.31 55.44 1sxm n LYS 11 Cb 0.29 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.00 0.82 -0.00 1.97 -0.06 -1.14 -4.09 117.38 113.89 1sxm n GLN 12 Ca 0.17 -0.58 0.02 0.00 -2.00 0.00 0.00 57.00 54.62 1sxm n GLN 12 Cb 0.22 -1.49 -0.02 0.00 -4.06 0.00 0.00 30.24 24.89 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 -1.26 0.79 -0.03 0.00 7.64 -0.85 -2.93 113.62 116.97 1sxm n SER 14 Ca 0.00 -0.99 -0.04 0.00 1.01 0.00 0.00 58.87 58.85 1sxm n SER 14 Cb 0.07 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 1.12 -0.04 -0.15 1.43 1.57 -1.76 -3.15 116.57 115.58 1sxm h LYS 15 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1sxm h LYS 15 Cb 0.36 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1sxm h LYS 15 CO 0.00 0.16 -0.27 -1.00 -0.57 0.00 0.00 179.45 177.78 1sxm h PRO 16 N -1.00 0.45 0.00 3.15 0.13 -1.81 -3.04 132.00 129.88 1sxm h PRO 16 Ca -0.00 -0.28 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1sxm h PRO 16 Cb 0.23 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1sxm h PRO 16 CO 0.01 0.88 -0.42 0.00 -0.23 0.00 0.00 178.00 178.23 1sxm n LYS 18 N -3.88 0.11 0.11 0.00 5.02 -1.19 -0.92 118.16 117.40 1sxm n LYS 18 Ca -0.01 -0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.27 1sxm n LYS 18 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.13 0.00 0.00 1.97 4.81 -1.33 -3.12 114.58 117.04 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 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1sxm h GLU 19 CO 0.00 0.23 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.09 1sxm h LEU 20 N 0.00 0.00 -1.80 1.64 3.38 -1.23 -3.43 115.31 113.86 1sxm h LEU 20 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sxm h LEU 20 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1sxm h LEU 20 CO 0.03 0.62 0.00 -1.22 0.09 0.00 0.00 178.44 177.96 1sxm n TYR 21 N -4.37 0.11 0.00 1.13 4.01 -0.09 -5.05 117.16 112.90 1sxm n TYR 21 Ca -0.05 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1sxm n TYR 21 Cb 0.18 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.86 1.68 0.00 2.72 0.00 -1.18 -3.25 105.19 106.02 1sxm n GLY 22 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 3.97 0.00 -4.21 1.61 7.64 -1.26 -4.64 113.62 116.73 1sxm n SER 23 Ca 0.00 -0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.13 1sxm n SER 23 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 5.39 -3.71 6.43 2.88 -1.20 -4.98 113.62 118.43 1sxm n SER 24 Ca 0.00 -3.14 -0.14 0.00 -1.33 0.00 0.00 58.87 54.26 1sxm n SER 24 Cb 0.08 -1.28 -0.14 0.00 -0.75 0.00 0.00 64.21 62.13 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 -1.63 -0.42 -0.89 -1.46 0.00 -1.26 -4.03 121.76 112.07 1sxm s ALA 25 Ca 0.31 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 1sxm s ALA 25 Cb -0.06 -0.72 0.23 0.00 0.00 0.00 0.00 23.12 22.58 1sxm s ALA 25 CO -0.05 -0.36 0.83 0.20 0.00 0.00 0.00 175.76 176.38 1sxm s GLY 26 N 1.70 2.81 -0.38 0.00 0.00 -1.26 -4.44 107.32 105.75 1sxm s GLY 26 Ca -0.05 -3.47 -0.19 0.00 0.00 0.00 0.00 44.72 41.02 1sxm s GLY 26 CO -0.07 1.26 0.56 0.00 0.00 0.00 0.00 173.10 174.84 1sxm s ALA 27 N -0.26 3.44 0.06 3.20 0.00 -1.26 -1.97 121.76 124.97 1sxm s ALA 27 Ca 0.21 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1sxm s ALA 27 Cb -0.11 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1sxm s ALA 27 CO -0.08 -1.42 -0.22 0.15 0.00 0.00 0.00 175.76 174.19 1sxm s LYS 28 N 2.52 1.89 -0.21 0.00 -0.14 -0.97 -4.81 119.74 118.02 1sxm s LYS 28 Ca 0.20 -1.08 0.01 0.00 -1.36 0.00 0.00 55.97 53.74 1sxm s LYS 28 Cb -0.15 -2.08 0.05 0.00 -1.68 0.00 0.00 37.83 33.97 1sxm s LYS 28 CO 0.15 0.52 -0.08 0.00 -0.76 0.00 0.00 175.35 175.18 1sxm s MET 30 N 1.41 2.42 0.81 0.00 -1.94 -1.11 -4.86 119.30 116.03 1sxm s MET 30 Ca -0.03 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 1sxm s MET 30 Cb -0.17 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.60 1sxm s MET 30 CO -0.07 -0.10 0.00 0.09 -0.01 0.00 0.00 175.02 174.93 1sxm n ASN 31 N 4.32 0.00 -2.67 3.03 4.13 -1.26 -2.49 115.26 120.32 1sxm n ASN 31 Ca -0.19 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.03 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 -0.61 3.31 7.41 0.00 -1.26 -4.89 105.19 109.15 1sxm n GLY 32 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.85 -0.04 1.61 1.02 -1.04 -3.50 119.74 118.74 1sxm s LYS 33 Ca 0.15 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.85 1sxm s LYS 33 Cb 0.23 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.88 1sxm s LYS 33 CO -0.10 -0.28 0.06 0.00 -0.92 0.00 0.00 175.35 174.11 1sxm s LYS 35 N -1.36 1.28 -0.07 0.00 1.02 -0.67 -2.59 119.74 117.35 1sxm s LYS 35 Ca 0.19 -0.93 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1sxm s LYS 35 Cb -0.12 -1.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 1sxm s LYS 35 CO 0.09 0.35 -0.20 0.00 -0.92 0.00 0.00 175.35 174.67 1sxm n TYR 37 N 2.90 0.00 -2.28 0.00 4.02 -0.83 -3.21 117.16 117.77 1sxm n TYR 37 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1sxm n TYR 37 Cb 0.52 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1sxm n TYR 37 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1sxm n ASN 38 N -1.96 -1.78 -0.24 7.72 3.02 -1.26 -4.78 115.26 115.98 1sxm n ASN 38 Ca -0.03 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.67 1sxm n ASN 38 Cb 0.44 -0.46 0.74 0.00 -0.61 0.00 0.00 39.78 39.89 1sxm n ASN 38 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23