#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcq n THR 3 N 0.00 0.00 -0.22 2.46 5.66 -1.26 -5.07 114.28 115.85 1xcq n THR 3 Ca 0.00 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1xcq n THR 3 Cb 0.00 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 1xcq n THR 3 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1xcq n ASN 4 N 0.10 0.00 0.00 1.09 6.94 -1.26 -4.99 115.26 117.14 1xcq n ASN 4 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1xcq n ASN 4 Cb 0.43 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1xcq n ASN 4 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1xcq n PRO 5 N 0.32 0.00 -2.71 -0.53 -0.04 -1.26 -5.13 135.00 125.65 1xcq n PRO 5 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1xcq n PRO 5 Cb 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.51 1xcq n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xcq n LYS 6 N 0.00 0.37 -1.43 0.54 5.02 -1.26 -5.13 118.16 116.27 1xcq n LYS 6 Ca 0.00 -1.25 -0.53 0.00 -2.02 0.00 0.00 58.31 54.50 1xcq n LYS 6 Cb 0.00 -0.71 -0.08 0.00 -0.02 0.00 0.00 35.03 34.22 1xcq n LYS 6 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xcq n PRO 7 N 2.09 0.85 0.19 1.97 -0.04 -1.26 -4.90 135.00 133.91 1xcq n PRO 7 Ca 0.09 0.24 -0.07 0.00 -0.04 0.00 0.00 63.50 63.72 1xcq n PRO 7 Cb 0.64 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1xcq n PRO 7 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1xcq h GLN 8 N 11.08 -0.46 -2.55 0.54 4.15 -2.09 -3.50 115.11 122.28 1xcq h GLN 8 Ca -0.25 0.03 0.26 0.00 0.77 0.00 0.00 58.65 59.46 1xcq h GLN 8 Cb 1.34 0.10 -0.13 0.00 0.21 0.00 0.00 27.48 29.01 1xcq h GLN 8 CO 1.03 -0.31 -0.85 -2.13 -1.93 0.00 0.00 178.83 174.65 1xcq n ARG 9 N -3.32 -2.41 -0.30 1.69 3.00 -1.26 -4.99 116.66 109.07 1xcq n ARG 9 Ca -0.06 1.91 0.04 0.00 -0.00 0.00 0.00 57.85 59.75 1xcq n ARG 9 Cb 0.19 -2.83 -0.01 0.00 0.00 0.00 0.00 32.46 29.80 1xcq n ARG 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1xcq n LYS 10 N -3.77 -0.60 0.00 -0.14 4.76 -1.26 -5.04 118.16 112.12 1xcq n LYS 10 Ca -0.06 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1xcq n LYS 10 Cb 0.50 -0.73 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 1xcq n LYS 10 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1xcq n THR 11 N -1.58 0.00 -3.80 -0.18 5.66 -1.26 -5.19 114.28 107.92 1xcq n THR 11 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1xcq n THR 11 Cb 0.13 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.80 1xcq n THR 11 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1xcq s LYS 12 N 1.83 3.73 -0.06 1.09 2.47 -1.26 -4.84 119.74 122.71 1xcq s LYS 12 Ca 0.00 -0.44 -0.03 0.00 -1.56 0.00 0.00 55.97 53.93 1xcq s LYS 12 Cb 0.00 -3.32 0.01 0.00 -1.46 0.00 0.00 37.83 33.06 1xcq s LYS 12 CO 0.00 -0.10 0.06 2.89 0.16 0.00 0.00 175.35 178.36 1xcq n ARG 13 N 4.68 -2.09 -4.10 4.03 1.85 -1.26 -5.04 116.66 114.73 1xcq n ARG 13 Ca -0.16 1.79 -0.16 0.00 -1.00 0.00 0.00 57.85 58.33 1xcq n ARG 13 Cb 0.52 -2.02 -0.04 0.00 -1.05 0.00 0.00 32.46 29.86 1xcq n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1xcq s ASN 14 N -0.31 1.11 -0.10 2.89 2.20 -1.26 -5.09 114.94 114.37 1xcq s ASN 14 Ca -0.07 -1.56 -0.05 0.00 -0.94 0.00 0.00 52.86 50.23 1xcq s ASN 14 Cb 0.00 0.68 0.02 0.00 -2.00 0.00 0.00 41.25 39.96 1xcq s ASN 14 CO 0.22 -1.33 0.10 0.41 -2.94 0.00 0.00 177.10 173.56 1xcq n THR 15 N -0.60 -7.63 0.00 0.54 -1.04 -1.26 -5.09 114.28 99.20 1xcq n THR 15 Ca 0.01 1.27 0.00 0.00 -2.04 0.00 0.00 64.05 63.29 1xcq n THR 15 Cb 0.61 -5.07 0.00 0.00 -1.82 0.00 0.00 70.33 64.05 1xcq n THR 15 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1xcq n ASN 16 N 0.73 0.00 -0.05 8.00 5.15 -1.26 -5.04 115.26 122.79 1xcq n ASN 16 Ca -0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.75 1xcq n ASN 16 Cb 0.26 0.07 -0.05 0.00 -0.53 0.00 0.00 39.78 39.53 1xcq n ASN 16 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xcq n ARG 17 N -1.80 0.61 -0.01 1.20 1.74 -1.26 -4.98 116.66 112.14 1xcq n ARG 17 Ca 0.00 0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.12 1xcq n ARG 17 Cb 0.00 -1.19 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1xcq n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xcq h ARG 18 N 0.00 0.00 0.00 5.56 2.47 -2.02 -3.51 114.38 116.88 1xcq h ARG 18 Ca -0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1xcq h ARG 18 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1xcq h ARG 18 CO -0.03 0.00 0.00 -2.30 0.56 0.00 0.00 179.97 178.20 1xcq n PRO 19 N -2.70 0.00 -3.62 0.04 -0.02 -1.26 -4.78 135.00 122.66 1xcq n PRO 19 Ca -0.01 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.22 1xcq n PRO 19 Cb 0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.36 1xcq n PRO 19 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xcq s GLN 20 N 0.00 0.04 0.43 -0.52 -0.21 -1.26 -5.14 119.66 113.00 1xcq s GLN 20 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.37 1xcq s GLN 20 Cb 0.00 -1.63 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1xcq s GLN 20 CO 0.00 -0.62 0.00 -0.25 -2.12 0.00 0.00 175.29 172.30 1xcq n ASP 21 N 5.28 -2.10 0.00 5.90 10.43 -1.26 -4.73 116.55 130.08 1xcq n ASP 21 Ca -0.06 0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.46 1xcq n ASP 21 Cb 0.49 -0.60 0.00 0.00 1.84 0.00 0.00 41.12 42.86 1xcq n ASP 21 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1xcq n VAL 22 N -0.97 0.00 0.00 2.53 0.31 -1.26 -4.94 118.33 114.00 1xcq n VAL 22 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xcq n VAL 22 Cb 0.07 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1xcq n VAL 22 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1xcq n LYS 23 N 0.00 0.00 -3.33 5.55 5.02 -1.26 -4.29 118.16 119.86 1xcq n LYS 23 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 1xcq n LYS 23 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xcq n LYS 23 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1xcq s PHE 24 N 0.00 4.26 -0.73 2.13 0.40 -1.26 -4.99 117.98 117.80 1xcq s PHE 24 Ca 0.00 -2.69 -0.06 0.00 -0.60 0.00 0.00 56.93 53.58 1xcq s PHE 24 Cb 0.00 -3.85 -0.03 0.00 0.51 0.00 0.00 43.02 39.65 1xcq s PHE 24 CO 0.00 -0.96 2.92 -0.35 0.70 0.00 0.00 175.22 177.52 1xcq n PRO 25 N 2.77 3.03 0.00 0.24 -0.04 -1.26 -4.90 135.00 134.84 1xcq n PRO 25 Ca 0.24 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1xcq n PRO 25 Cb 0.39 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1xcq n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xcq n GLY 26 N 1.87 2.76 2.26 0.55 0.00 -1.26 -5.08 105.19 106.29 1xcq n GLY 26 Ca 0.55 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 1xcq n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcq n GLY 27 N -0.87 3.12 1.74 -0.02 0.00 -1.26 -4.99 105.19 102.90 1xcq n GLY 27 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1xcq n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcq n GLY 28 N 1.46 -0.32 0.09 -0.02 0.00 -1.26 -5.21 105.19 99.93 1xcq n GLY 28 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1xcq n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xcq n GLN 29 N -2.37 -0.26 -3.64 1.61 6.02 -1.26 -5.09 117.38 112.39 1xcq n GLN 29 Ca 0.00 0.19 -0.08 0.00 -0.01 0.00 0.00 57.00 57.10 1xcq n GLN 29 Cb 0.00 -0.21 -0.07 0.00 1.02 0.00 0.00 30.24 30.98 1xcq n GLN 29 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1xcq s ILE 30 N -1.58 0.00 -1.21 5.09 -4.36 -1.26 -5.08 121.20 112.80 1xcq s ILE 30 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.19 1xcq s ILE 30 Cb 0.00 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 1xcq s ILE 30 CO 0.00 0.00 1.88 0.52 0.24 0.00 0.00 174.94 177.58 1xcq n VAL 31 N 4.09 2.75 0.00 8.37 0.31 -1.26 -4.81 118.33 127.78 1xcq n VAL 31 Ca -0.19 -2.81 0.00 0.00 -0.01 0.00 0.00 64.34 61.33 1xcq n VAL 31 Cb 0.58 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1xcq n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xcq n GLY 32 N 5.45 2.46 0.06 2.92 0.00 -1.26 -4.87 105.19 109.95 1xcq n GLY 32 Ca 0.47 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.87 1xcq n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcq n GLY 33 N -1.76 -0.16 0.01 -0.02 0.00 -1.26 -3.34 105.19 98.66 1xcq n GLY 33 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1xcq n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xcq n VAL 34 N -0.26 0.00 0.93 1.61 3.14 -1.26 -4.25 118.33 118.24 1xcq n VAL 34 Ca 0.01 -0.43 0.10 0.00 -2.96 0.00 0.00 64.34 61.06 1xcq n VAL 34 Cb 0.45 0.13 -0.06 0.00 -1.06 0.00 0.00 33.84 33.29 1xcq n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xcq n TYR 35 N -2.14 0.00 -4.04 1.45 4.19 -1.26 -4.92 117.16 110.44 1xcq n TYR 35 Ca -0.03 0.00 -0.33 0.00 3.31 0.00 0.00 57.90 60.85 1xcq n TYR 35 Cb 0.52 0.00 -0.15 0.00 0.49 0.00 0.00 39.34 40.20 1xcq n TYR 35 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 1xcq s LEU 36 N -2.68 3.18 0.11 2.98 0.20 -1.21 -4.98 118.68 116.27 1xcq s LEU 36 Ca 0.12 -1.12 0.00 0.00 0.69 0.00 0.00 54.13 53.82 1xcq s LEU 36 Cb 0.16 -1.58 0.00 0.00 -0.43 0.00 0.00 46.19 44.34 1xcq s LEU 36 CO 0.68 -0.15 0.00 -0.11 -0.29 0.00 0.00 176.35 176.49 1xcq n LEU 37 N 4.54 0.21 -4.80 -0.68 0.00 -1.26 -4.52 117.00 110.50 1xcq n LEU 37 Ca -0.16 0.18 -0.35 0.00 0.00 0.00 0.00 56.01 55.68 1xcq n LEU 37 Cb 0.45 0.04 -0.05 0.00 0.00 0.00 0.00 43.42 43.86 1xcq n LEU 37 CO 0.24 -0.65 0.70 -2.16 0.00 0.00 0.00 177.39 175.52 1xcq s PRO 38 N -1.52 4.10 0.00 1.96 0.04 -1.26 -4.95 135.00 133.36 1xcq s PRO 38 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1xcq s PRO 38 Cb 0.00 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1xcq s PRO 38 CO 0.00 -0.17 0.00 -2.13 0.04 0.00 0.00 177.00 174.74 1xcq n ARG 39 N -0.47 0.00 0.00 4.56 3.00 -1.26 -5.14 116.66 117.35 1xcq n ARG 39 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1xcq n ARG 39 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1xcq n ARG 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1xcq n ARG 40 N 0.00 0.00 0.00 -0.14 0.63 -1.26 -5.15 116.66 110.74 1xcq n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1xcq n ARG 40 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1xcq n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xcq n GLY 41 N -0.77 2.95 0.00 5.14 0.00 -1.26 -5.19 105.19 106.06 1xcq n GLY 41 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xcq n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xcq n PRO 42 N 0.00 2.40 0.00 1.61 -0.02 -1.26 -4.84 135.00 132.88 1xcq n PRO 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xcq n PRO 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xcq n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1xcq n ARG 43 N -0.31 0.00 0.16 -0.52 0.63 -1.26 -3.22 116.66 112.13 1xcq n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1xcq n ARG 43 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1xcq n ARG 43 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1xcq n LEU 44 N 0.00 -2.57 0.00 6.15 -0.00 -1.26 -5.35 117.00 113.98 1xcq n LEU 44 Ca 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.61 1xcq n LEU 44 Cb 0.00 2.53 0.00 0.00 -0.00 0.00 0.00 43.42 45.95 1xcq n LEU 44 CO 0.00 -0.05 0.00 0.61 -0.00 0.00 0.00 177.39 177.95