#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahq n TYR 2 N 0.00 -0.47 -4.22 -1.42 0.18 -1.26 -5.19 117.16 104.78 2ahq n TYR 2 Ca 0.00 -0.71 -0.17 0.00 1.88 0.00 0.00 57.90 58.90 2ahq n TYR 2 Cb 0.00 0.32 -0.07 0.00 -0.38 0.00 0.00 39.34 39.21 2ahq n TYR 2 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2ahq s SER 3 N -3.51 1.29 -0.30 9.48 0.01 -1.26 -5.16 113.70 114.25 2ahq s SER 3 Ca 0.26 -1.64 -0.12 0.00 1.31 0.00 0.00 55.95 55.76 2ahq s SER 3 Cb -0.01 0.57 0.17 0.00 0.21 0.00 0.00 66.02 66.96 2ahq s SER 3 CO 0.00 -1.10 0.91 -0.22 0.41 0.00 0.00 173.24 173.24 2ahq s LEU 4 N -3.31 -0.73 0.00 2.44 1.98 -1.26 -5.17 118.68 112.63 2ahq s LEU 4 Ca 0.38 0.78 -0.03 0.00 -2.89 0.00 0.00 54.13 52.37 2ahq s LEU 4 Cb 0.02 1.74 0.07 0.00 0.66 0.00 0.00 46.19 48.68 2ahq s LEU 4 CO 0.24 -0.14 0.45 -1.14 -1.89 0.00 0.00 176.35 173.87 2ahq n ARG 5 N 5.20 -0.04 -2.51 1.98 0.63 -1.26 -5.13 116.66 115.54 2ahq n ARG 5 Ca -0.08 -0.96 -0.06 0.00 -0.92 0.00 0.00 57.85 55.83 2ahq n ARG 5 Cb 0.52 -0.38 -0.01 0.00 0.45 0.00 0.00 32.46 33.04 2ahq n ARG 5 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2ahq n THR 6 N -2.30 0.00 -3.96 5.15 -2.24 -1.26 -5.19 114.28 104.48 2ahq n THR 6 Ca 0.07 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 2ahq n THR 6 Cb 0.23 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 2ahq n THR 6 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2ahq n PHE 7 N -0.23 -1.08 -3.30 4.78 7.35 -1.26 -5.19 117.46 118.53 2ahq n PHE 7 Ca 0.00 -1.74 -0.02 0.00 -0.76 0.00 0.00 57.45 54.93 2ahq n PHE 7 Cb 0.23 0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.43 2ahq n PHE 7 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2ahq n PHE 8 N -0.42 -0.99 0.00 -5.13 3.72 -1.26 -5.15 117.46 108.23 2ahq n PHE 8 Ca 0.01 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2ahq n PHE 8 Cb 0.43 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2ahq n PHE 8 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2ahq n VAL 9 N -0.08 0.00 -1.72 -4.37 3.14 -1.26 -5.13 118.33 108.91 2ahq n VAL 9 Ca -0.01 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2ahq n VAL 9 Cb 0.09 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.87 2ahq n VAL 9 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2ahq n ARG 10 N 0.00 -0.68 -3.54 1.45 0.63 -1.26 -5.11 116.66 108.15 2ahq n ARG 10 Ca 0.00 0.95 -0.12 0.00 -0.92 0.00 0.00 57.85 57.76 2ahq n ARG 10 Cb 0.00 -1.82 -0.04 0.00 0.45 0.00 0.00 32.46 31.06 2ahq n ARG 10 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2ahq s GLU 11 N -0.37 1.14 0.00 -0.14 -1.05 -1.26 -5.18 118.70 111.84 2ahq s GLU 11 Ca -0.01 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 2ahq s GLU 11 Cb 0.00 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 2ahq s GLU 11 CO 0.15 -0.46 0.00 -1.13 0.95 0.00 0.00 175.26 174.77 2ahq n SER 12 N -0.14 0.00 0.00 0.83 3.41 -1.26 -5.13 113.62 111.33 2ahq n SER 12 Ca -0.17 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2ahq n SER 12 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2ahq n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ahq n ALA 13 N -3.00 0.00 -3.18 7.33 0.00 -1.26 -4.77 120.51 115.62 2ahq n ALA 13 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2ahq n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ahq n ALA 13 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ahq n GLU 14 N 0.00 -0.99 0.00 0.00 2.13 -1.26 -3.56 120.64 116.96 2ahq n GLU 14 Ca 0.00 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2ahq n GLU 14 Cb 0.00 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2ahq n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ahq n GLY 15 N -1.03 0.62 3.50 8.31 0.00 -1.26 -5.12 105.19 110.21 2ahq n GLY 15 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2ahq n GLY 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ahq n LEU 16 N 0.00 1.47 -4.89 0.99 -0.00 -1.23 -4.97 117.00 108.36 2ahq n LEU 16 Ca 0.00 0.61 -0.29 0.00 -0.00 0.00 0.00 56.01 56.33 2ahq n LEU 16 Cb 0.00 -1.26 -0.02 0.00 -0.00 0.00 0.00 43.42 42.14 2ahq n LEU 16 CO 0.00 -2.86 0.42 0.42 -0.00 0.00 0.00 177.39 175.37 2ahq s THR 17 N -1.90 4.87 0.43 1.47 -4.23 -1.26 -4.91 115.64 110.12 2ahq s THR 17 Ca 0.67 0.34 0.17 0.00 -1.18 0.00 0.00 61.69 61.70 2ahq s THR 17 Cb -0.35 -3.80 0.37 0.00 1.34 0.00 0.00 72.50 70.06 2ahq s THR 17 CO 0.56 -0.68 1.90 1.56 -0.54 0.00 0.00 174.62 177.43 2ahq h GLN 18 N 0.75 0.37 -0.10 3.99 7.50 -2.00 0.22 115.11 125.85 2ahq h GLN 18 Ca -0.47 -0.02 -0.18 0.00 0.50 0.00 0.00 58.65 58.48 2ahq h GLN 18 Cb 1.20 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.64 2ahq h GLN 18 CO 0.63 0.25 -0.69 0.78 -1.50 0.00 0.00 178.83 178.30 2ahq h GLY 19 N 0.38 0.48 1.09 3.46 0.00 -2.01 -2.95 103.07 103.53 2ahq h GLY 19 Ca 0.39 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 2ahq h GLY 19 CO -0.13 0.57 -0.09 0.83 0.00 0.00 0.00 176.54 177.72 2ahq h GLU 20 N 0.31 1.04 -0.92 4.80 5.08 -1.01 -2.76 114.58 121.12 2ahq h GLU 20 Ca -0.02 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2ahq h GLU 20 Cb 1.25 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2ahq h GLU 20 CO 0.12 1.07 0.60 1.25 -1.00 0.00 0.00 179.01 181.05 2ahq h LEU 21 N 0.92 1.01 0.40 1.33 7.12 -1.06 0.55 115.31 125.58 2ahq h LEU 21 Ca 0.14 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 2ahq h LEU 21 Cb 0.66 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.53 2ahq h LEU 21 CO 0.05 0.71 -0.48 -0.03 -0.13 0.00 0.00 178.44 178.56 2ahq h MET 22 N 1.19 -0.88 -0.57 1.25 4.05 -1.32 1.09 114.93 119.74 2ahq h MET 22 Ca 0.35 0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.87 2ahq h MET 22 Cb -0.06 0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 2ahq h MET 22 CO -0.10 -0.59 0.38 -0.22 0.23 0.00 0.00 176.91 176.61 2ahq h LYS 23 N -0.91 0.63 -0.51 0.39 1.63 -1.33 0.37 116.57 116.83 2ahq h LYS 23 Ca -0.04 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 2ahq h LYS 23 Cb 0.82 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 2ahq h LYS 23 CO -0.11 0.41 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.22 2ahq h LEU 24 N 0.65 0.90 -0.25 5.20 3.38 0.11 0.32 115.31 125.61 2ahq h LEU 24 Ca 0.23 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2ahq h LEU 24 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2ahq h LEU 24 CO -0.06 0.99 -0.07 0.40 0.09 0.00 0.00 178.44 179.79 2ahq h ILE 25 N 0.78 1.29 -0.25 1.22 2.04 0.28 -2.70 117.51 120.16 2ahq h ILE 25 Ca 0.14 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 2ahq h ILE 25 Cb 0.54 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2ahq h ILE 25 CO 0.03 0.34 -0.03 0.50 0.00 0.00 0.00 178.15 178.99 2ahq h LYS 26 N 0.23 0.37 -0.92 2.37 3.11 -0.18 -2.06 116.57 119.49 2ahq h LYS 26 Ca 0.06 -0.07 0.09 0.00 -2.81 0.00 0.00 60.65 57.92 2ahq h LYS 26 Cb 0.54 -0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.64 2ahq h LYS 26 CO 0.03 0.43 0.56 1.49 -2.81 0.00 0.00 179.45 179.14 2ahq h GLU 27 N 0.36 0.91 -0.45 1.90 4.81 -0.03 0.83 114.58 122.91 2ahq h GLU 27 Ca 0.08 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 2ahq h GLU 27 Cb 0.29 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ahq h GLU 27 CO 0.01 0.61 -0.17 0.82 -0.73 0.00 0.00 179.01 179.54 2ahq h ILE 28 N 0.94 1.27 -0.11 2.32 5.03 -1.23 -1.87 117.51 123.87 2ahq h ILE 28 Ca 0.43 -1.32 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 2ahq h ILE 28 Cb 0.35 1.17 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 2ahq h ILE 28 CO -0.23 0.45 0.00 0.52 -0.68 0.00 0.00 178.15 178.21 2ahq n VAL 29 N -4.20 0.15 0.06 1.67 0.31 -0.30 -3.85 118.33 112.17 2ahq n VAL 29 Ca -0.00 -0.17 0.18 0.00 -0.01 0.00 0.00 64.34 64.33 2ahq n VAL 29 Cb 0.42 0.05 0.69 0.00 -0.91 0.00 0.00 33.84 34.09 2ahq n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2ahq h GLU 30 N 0.87 0.00 -0.05 5.55 4.81 0.15 -3.22 114.58 122.69 2ahq h GLU 30 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 2ahq h GLU 30 Cb 0.19 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.41 2ahq h GLU 30 CO 0.00 0.00 -0.37 0.27 -0.73 0.00 0.00 179.01 178.18 2ahq n ASN 31 N -4.35 -1.54 -4.18 1.04 0.23 -1.25 -5.08 115.26 100.12 2ahq n ASN 31 Ca 0.07 -2.36 -0.36 0.00 -0.53 0.00 0.00 54.58 51.39 2ahq n ASN 31 Cb 0.49 0.80 0.05 0.00 -2.08 0.00 0.00 39.78 39.04 2ahq n ASN 31 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2ahq n GLU 32 N -0.95 0.02 -2.46 -3.83 0.28 -1.22 -4.93 120.64 107.54 2ahq n GLU 32 Ca -0.08 0.02 -0.29 0.00 -0.16 0.00 0.00 57.16 56.65 2ahq n GLU 32 Cb 0.86 -1.23 -0.01 0.00 1.43 0.00 0.00 31.44 32.50 2ahq n GLU 32 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ahq s ASP 33 N -1.19 6.32 0.00 -1.84 -1.08 0.13 -4.93 116.67 114.09 2ahq s ASP 33 Ca 0.50 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.66 2ahq s ASP 33 Cb -0.29 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2ahq s ASP 33 CO 0.73 -0.62 0.74 1.17 0.52 0.00 0.00 175.17 177.70 2ahq n LYS 34 N -2.19 0.00 0.00 4.34 4.81 -1.26 -2.29 118.16 121.58 2ahq n LYS 34 Ca 0.03 0.41 0.11 0.00 -0.87 0.00 0.00 58.31 57.98 2ahq n LYS 34 Cb 0.55 -1.31 0.54 0.00 0.02 0.00 0.00 35.03 34.83 2ahq n LYS 34 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2ahq n ARG 35 N -1.72 0.31 -3.55 1.64 0.63 -1.26 -3.97 116.66 108.74 2ahq n ARG 35 Ca 0.00 0.08 -0.28 0.00 -0.92 0.00 0.00 57.85 56.73 2ahq n ARG 35 Cb 0.00 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.30 2ahq n ARG 35 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2ahq s LYS 36 N -2.57 1.25 0.00 -0.14 2.20 -1.19 -5.11 119.74 114.19 2ahq s LYS 36 Ca 0.20 -2.28 0.00 0.00 -0.36 0.00 0.00 55.97 53.53 2ahq s LYS 36 Cb 0.14 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.51 2ahq s LYS 36 CO 0.33 -1.32 0.00 -0.35 -0.36 0.00 0.00 175.35 173.65 2ahq n PRO 37 N 2.87 1.33 -2.91 4.03 -0.04 -0.97 0.23 135.00 139.54 2ahq n PRO 37 Ca 0.23 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2ahq n PRO 37 Cb 0.42 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.92 2ahq n PRO 37 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ahq n TYR 38 N -0.20 -1.85 -0.92 0.54 4.01 -1.26 -4.55 117.16 112.93 2ahq n TYR 38 Ca 0.00 -2.69 -0.07 0.00 -0.16 0.00 0.00 57.90 54.99 2ahq n TYR 38 Cb 0.00 0.86 0.05 0.00 -0.31 0.00 0.00 39.34 39.94 2ahq n TYR 38 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ahq n SER 39 N 0.60 -0.59 0.08 7.72 2.88 -1.26 -4.45 113.62 118.61 2ahq n SER 39 Ca 0.13 -0.88 0.06 0.00 -1.33 0.00 0.00 58.87 56.85 2ahq n SER 39 Cb 0.66 -0.22 0.50 0.00 -0.75 0.00 0.00 64.21 64.40 2ahq n SER 39 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2ahq h ASP 40 N -0.87 0.31 0.27 -3.46 2.03 -1.94 0.36 116.42 113.12 2ahq h ASP 40 Ca -0.09 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.19 2ahq h ASP 40 Cb 0.27 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 2ahq h ASP 40 CO 0.06 0.22 -0.13 -0.61 -1.03 0.00 0.00 179.24 177.76 2ahq h GLN 41 N 0.37 -0.35 0.21 4.15 5.75 -1.90 -0.10 115.11 123.23 2ahq h GLN 41 Ca 0.11 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2ahq h GLN 41 Cb 0.00 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2ahq h GLN 41 CO -0.02 -0.06 -0.10 1.49 -2.65 0.00 0.00 178.83 177.48 2ahq h GLU 42 N -0.64 -0.28 -0.92 1.69 4.22 -1.75 -0.23 114.58 116.67 2ahq h GLU 42 Ca -0.04 0.02 0.22 0.00 0.08 0.00 0.00 59.36 59.64 2ahq h GLU 42 Cb 0.45 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 29.60 2ahq h GLU 42 CO 0.06 -0.19 -0.05 0.82 -2.18 0.00 0.00 179.01 177.47 2ahq h ILE 43 N -0.30 0.11 -0.72 2.32 2.04 -1.06 1.74 117.51 121.64 2ahq h ILE 43 Ca -0.03 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2ahq h ILE 43 Cb 0.22 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.31 2ahq h ILE 43 CO 0.05 0.01 0.37 0.00 0.00 0.00 0.00 178.15 178.58 2ahq h ALA 44 N 1.90 1.00 -0.26 1.87 0.00 -0.88 0.38 119.26 123.28 2ahq h ALA 44 Ca 0.51 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.38 2ahq h ALA 44 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2ahq h ALA 44 CO -0.87 -0.02 -0.24 -0.91 0.00 0.00 0.00 179.25 177.21 2ahq h ASN 45 N 0.63 0.48 -0.10 0.00 2.35 0.42 -2.41 115.58 116.95 2ahq h ASN 45 Ca 0.35 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2ahq h ASN 45 Cb 0.36 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 2ahq h ASN 45 CO -0.26 0.72 0.03 0.40 -1.65 0.00 0.00 177.43 176.67 2ahq h ILE 46 N 0.43 1.19 -0.21 2.81 2.04 0.27 -2.00 117.51 122.04 2ahq h ILE 46 Ca 0.06 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.40 2ahq h ILE 46 Cb 0.65 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2ahq h ILE 46 CO 0.05 0.17 0.19 -0.07 0.00 0.00 0.00 178.15 178.49 2ahq h LEU 47 N -0.04 0.00 -2.45 1.44 4.07 -0.17 0.34 115.31 118.51 2ahq h LEU 47 Ca 0.03 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.00 2ahq h LEU 47 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2ahq h LEU 47 CO 0.00 0.00 0.17 0.50 -1.08 0.00 0.00 178.44 178.03 2ahq h LYS 48 N 0.00 0.00 0.00 1.13 1.63 -0.86 0.20 116.57 118.67 2ahq h LYS 48 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2ahq h LYS 48 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2ahq h LYS 48 CO -0.00 0.00 0.00 0.39 -3.45 0.00 0.00 179.45 176.39 2ahq n GLU 49 N -3.14 0.21 -2.76 1.90 1.02 0.12 -4.77 120.64 113.22 2ahq n GLU 49 Ca -0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2ahq n GLU 49 Cb 0.24 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 2ahq n GLU 49 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2ahq n LYS 50 N -0.99 -3.33 0.00 3.49 3.00 0.69 -4.94 118.16 116.07 2ahq n LYS 50 Ca 0.05 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 2ahq n LYS 50 Cb 0.02 -4.12 0.00 0.00 0.00 0.00 0.00 35.03 30.93 2ahq n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ahq n GLY 51 N -1.10 -0.84 1.96 3.14 0.00 -1.14 -4.91 105.19 102.30 2ahq n GLY 51 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2ahq n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ahq n PHE 52 N -0.06 -3.17 -1.16 1.61 3.01 -1.26 -4.20 117.46 112.23 2ahq n PHE 52 Ca 0.00 0.56 0.00 0.00 1.01 0.00 0.00 57.45 59.02 2ahq n PHE 52 Cb 0.05 1.70 0.00 0.00 -0.01 0.00 0.00 39.48 41.22 2ahq n PHE 52 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2ahq n LYS 53 N -2.82 0.00 0.00 -1.08 0.00 -1.25 -4.48 118.16 108.53 2ahq n LYS 53 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 58.31 58.70 2ahq n LYS 53 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 35.03 34.12 2ahq n LYS 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2ahq n VAL 54 N -0.14 0.00 0.00 3.15 0.31 -1.26 -5.11 118.33 115.28 2ahq n VAL 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ahq n VAL 54 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2ahq n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ahq n ALA 55 N -3.00 0.00 -0.21 3.52 0.00 -1.26 -4.96 120.51 114.60 2ahq n ALA 55 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 2ahq n ALA 55 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 2ahq n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ahq n ARG 56 N -0.08 -0.04 0.53 0.00 1.74 -1.26 0.16 116.66 117.72 2ahq n ARG 56 Ca 0.00 0.90 -0.21 0.00 -0.77 0.00 0.00 57.85 57.77 2ahq n ARG 56 Cb 0.00 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 29.73 2ahq n ARG 56 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2ahq h ARG 57 N 0.00 -1.31 -0.68 5.56 1.12 -1.94 0.89 114.38 118.01 2ahq h ARG 57 Ca 0.55 0.09 -0.00 0.00 -1.11 0.00 0.00 59.98 59.51 2ahq h ARG 57 Cb 1.48 0.30 -0.03 0.00 -0.01 0.00 0.00 29.97 31.70 2ahq h ARG 57 CO -0.49 -0.87 0.42 1.15 -3.11 0.00 0.00 179.97 177.06 2ahq h THR 58 N -1.36 1.19 -0.86 0.20 2.02 0.12 -1.87 112.91 112.35 2ahq h THR 58 Ca -0.14 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2ahq h THR 58 Cb 1.04 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2ahq h THR 58 CO 0.23 0.20 0.49 0.58 0.37 0.00 0.00 175.52 177.38 2ahq h VAL 59 N 0.93 1.25 -0.85 3.16 2.07 -0.06 -1.57 116.25 121.18 2ahq h VAL 59 Ca 0.25 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.28 2ahq h VAL 59 Cb -0.04 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 29.71 2ahq h VAL 59 CO -0.05 0.27 0.49 0.00 0.02 0.00 0.00 177.57 178.30 2ahq h ALA 60 N 1.33 1.22 -0.53 1.67 0.00 0.16 0.37 119.26 123.49 2ahq h ALA 60 Ca 0.31 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2ahq h ALA 60 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ahq h ALA 60 CO -0.05 0.09 0.19 0.87 0.00 0.00 0.00 179.25 180.35 2ahq h LYS 61 N 0.80 0.80 -0.42 0.00 1.79 -0.91 -2.45 116.57 116.18 2ahq h LYS 61 Ca 0.42 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 2ahq h LYS 61 Cb 0.41 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2ahq h LYS 61 CO -0.26 0.72 0.06 1.88 -1.08 0.00 0.00 179.45 180.77 2ahq h TYR 62 N 0.71 0.66 -0.84 -1.35 0.05 -0.35 -2.41 116.97 113.44 2ahq h TYR 62 Ca 0.17 -0.06 0.12 0.00 0.05 0.00 0.00 58.73 59.01 2ahq h TYR 62 Cb 0.24 -0.19 -0.08 0.00 1.01 0.00 0.00 36.73 37.70 2ahq h TYR 62 CO 0.01 0.60 0.46 -0.09 -1.05 0.00 0.00 178.16 178.09 2ahq h ARG 63 N 0.62 0.69 -0.31 4.88 1.12 0.13 0.63 114.38 122.13 2ahq h ARG 63 Ca 0.13 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.78 2ahq h ARG 63 Cb 0.31 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2ahq h ARG 63 CO 0.00 0.46 -0.51 1.49 -3.11 0.00 0.00 179.97 178.31 2ahq h GLU 64 N 0.71 0.89 0.00 0.20 4.81 -1.34 1.26 114.58 121.12 2ahq h GLU 64 Ca 0.43 -0.54 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2ahq h GLU 64 Cb 0.51 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2ahq h GLU 64 CO -0.30 1.19 -0.13 0.52 -0.73 0.00 0.00 179.01 179.55 2ahq h MET 65 N 0.69 0.00 -0.83 1.92 2.86 -0.67 -3.32 114.93 115.58 2ahq h MET 65 Ca 0.03 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.31 2ahq h MET 65 Cb 1.11 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.53 2ahq h MET 65 CO 0.12 0.13 -0.75 1.47 1.06 0.00 0.00 176.91 178.94 2ahq n LEU 66 N -3.39 -1.38 -0.12 1.22 -0.00 0.20 -5.08 117.00 108.44 2ahq n LEU 66 Ca -0.01 -4.03 0.02 0.00 -0.00 0.00 0.00 56.01 51.98 2ahq n LEU 66 Cb 0.32 0.80 0.01 0.00 -0.00 0.00 0.00 43.42 44.55 2ahq n LEU 66 CO 0.30 2.09 0.30 0.61 -0.00 0.00 0.00 177.39 180.69