#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqa s LEU 2 N 0.00 3.30 0.38 -0.89 1.43 -1.26 -4.88 118.68 116.76 3hqa s LEU 2 Ca 0.00 2.12 0.11 0.00 -1.03 0.00 0.00 54.13 55.33 3hqa s LEU 2 Cb 0.00 -4.56 0.76 0.00 0.03 0.00 0.00 46.19 42.42 3hqa s LEU 2 CO 0.00 -1.98 1.88 1.56 0.23 0.00 0.00 176.35 178.04 3hqa h GLN 3 N -0.30 0.12 -0.86 1.70 4.20 -2.05 -1.12 115.11 116.80 3hqa h GLN 3 Ca -0.47 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.27 3hqa h GLN 3 Cb 1.26 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.98 3hqa h GLN 3 CO 0.51 0.37 0.56 -0.22 -0.67 0.00 0.00 178.83 179.39 3hqa h LYS 4 N 0.11 0.94 0.00 1.46 3.64 -2.00 -1.17 116.57 119.55 3hqa h LYS 4 Ca 0.02 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 3hqa h LYS 4 Cb 0.50 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3hqa h LYS 4 CO 0.04 0.62 -1.00 -0.22 -2.27 0.00 0.00 179.45 176.62 3hqa h LYS 5 N 0.97 0.00 -0.38 1.90 1.63 -1.63 -2.87 116.57 116.19 3hqa h LYS 5 Ca 0.37 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.09 3hqa h LYS 5 Cb 0.21 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3hqa h LYS 5 CO -0.13 0.82 -0.07 0.82 -3.45 0.00 0.00 179.45 177.43 3hqa h ILE 6 N 0.00 1.27 -0.17 2.00 2.04 -0.70 -2.52 117.51 119.43 3hqa h ILE 6 Ca -0.05 -1.14 -0.12 0.00 1.00 0.00 0.00 64.86 64.55 3hqa h ILE 6 Cb 1.71 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3hqa h ILE 6 CO 0.11 0.38 -0.42 -0.33 0.00 0.00 0.00 178.15 177.89 3hqa h GLU 7 N 0.53 0.40 -0.77 2.37 5.08 -1.27 -0.71 114.58 120.21 3hqa h GLU 7 Ca 0.10 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3hqa h GLU 7 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 3hqa h GLU 7 CO 0.03 0.76 0.49 1.49 -1.00 0.00 0.00 179.01 180.78 3hqa h GLU 8 N 0.33 0.92 -0.21 2.33 4.81 -1.44 0.63 114.58 121.96 3hqa h GLU 8 Ca 0.03 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3hqa h GLU 8 Cb 0.88 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 3hqa h GLU 8 CO 0.07 0.61 -0.23 0.82 -0.73 0.00 0.00 179.01 179.55 3hqa h ILE 9 N 0.95 1.33 -0.78 2.32 2.04 -0.95 -2.73 117.51 119.69 3hqa h ILE 9 Ca 0.31 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 3hqa h ILE 9 Cb 0.03 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3hqa h ILE 9 CO -0.12 0.43 0.33 0.00 0.00 0.00 0.00 178.15 178.79 3hqa h ALA 10 N 0.65 1.11 -0.32 1.87 0.00 -0.92 -2.87 119.26 118.78 3hqa h ALA 10 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hqa h ALA 10 Cb 0.78 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hqa h ALA 10 CO 0.06 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.09 3hqa h ALA 11 N 1.23 0.41 -0.43 0.00 0.00 -0.87 -2.41 119.26 117.19 3hqa h ALA 11 Ca 0.26 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.18 3hqa h ALA 11 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hqa h ALA 11 CO -0.02 -0.00 0.32 -0.22 0.00 0.00 0.00 179.25 179.32 3hqa h LYS 12 N 0.37 0.00 0.00 0.00 3.64 -1.25 -1.76 116.57 117.56 3hqa h LYS 12 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3hqa h LYS 12 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3hqa h LYS 12 CO -0.01 0.00 -0.90 0.66 -2.27 0.00 0.00 179.45 176.93 3hqa n TYR 13 N -4.34 0.42 -2.21 1.91 4.01 -0.95 -4.62 117.16 111.39 3hqa n TYR 13 Ca 0.07 0.12 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 3hqa n TYR 13 Cb 0.52 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3hqa n TYR 13 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3hqa s LYS 14 N -3.21 4.27 -1.42 -0.72 1.02 -0.67 -3.72 119.74 115.30 3hqa s LYS 14 Ca 0.04 1.98 -0.08 0.00 0.02 0.00 0.00 55.97 57.93 3hqa s LYS 14 Cb 0.14 -3.62 0.05 0.00 -0.52 0.00 0.00 37.83 33.87 3hqa s LYS 14 CO 0.77 -0.61 0.61 0.72 -0.92 0.00 0.00 175.35 175.92 3hqa n HIS 15 N 5.61 -1.95 -0.07 3.18 8.25 -1.26 -4.85 115.22 124.13 3hqa n HIS 15 Ca 0.14 0.55 0.05 0.00 -0.26 0.00 0.00 57.72 58.20 3hqa n HIS 15 Cb 0.44 -3.70 0.40 0.00 1.12 0.00 0.00 29.99 28.25 3hqa n HIS 15 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3hqa h SER 16 N -1.30 0.54 0.33 0.41 0.02 -1.82 -1.02 113.55 110.72 3hqa h SER 16 Ca -0.49 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 3hqa h SER 16 Cb 1.33 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3hqa h SER 16 CO 0.56 0.38 -0.16 0.58 -1.14 0.00 0.00 176.83 177.05 3hqa h VAL 17 N 0.63 0.68 -0.70 2.27 2.07 -1.91 -0.49 116.25 118.80 3hqa h VAL 17 Ca 0.21 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 67.39 3hqa h VAL 17 Cb 0.07 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 3hqa h VAL 17 CO -0.05 0.09 0.27 0.58 0.02 0.00 0.00 177.57 178.47 3hqa h VAL 18 N -0.71 0.69 0.34 2.57 2.07 -1.82 -0.79 116.25 118.61 3hqa h VAL 18 Ca -0.05 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hqa h VAL 18 Cb 0.49 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3hqa h VAL 18 CO 0.07 0.08 -0.33 0.11 0.02 0.00 0.00 177.57 177.52 3hqa h LYS 19 N 0.43 -0.67 -0.24 1.57 1.57 -0.90 0.06 116.57 118.38 3hqa h LYS 19 Ca 0.37 0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 59.03 3hqa h LYS 19 Cb 0.53 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3hqa h LYS 19 CO -0.37 -0.45 -0.54 0.87 -0.57 0.00 0.00 179.45 178.39 3hqa h LYS 20 N -0.70 0.73 -0.01 3.15 1.79 -0.89 -2.73 116.57 117.91 3hqa h LYS 20 Ca -0.02 -0.46 -0.26 0.00 -2.18 0.00 0.00 60.65 57.73 3hqa h LYS 20 Cb 0.63 0.05 0.02 0.00 -1.58 0.00 0.00 32.23 31.35 3hqa h LYS 20 CO -0.05 1.08 -1.02 0.00 -1.08 0.00 0.00 179.45 178.37 3hqa h TYR 23 N -0.41 0.33 -0.43 0.00 5.03 -1.43 -0.25 116.97 119.80 3hqa h TYR 23 Ca -0.01 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 3hqa h TYR 23 Cb 0.37 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 3hqa h TYR 23 CO -0.12 0.01 0.22 -0.44 -1.32 0.00 0.00 178.16 176.51 3hqa h ASP 24 N 0.34 0.56 -0.37 -2.11 3.32 -0.84 -2.31 116.42 115.00 3hqa h ASP 24 Ca 0.35 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3hqa h ASP 24 Cb 0.52 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3hqa h ASP 24 CO -0.40 0.51 0.18 1.23 -1.72 0.00 0.00 179.24 179.04 3hqa h GLY 25 N 0.56 0.62 2.00 2.75 0.00 -0.42 -2.84 103.07 105.74 3hqa h GLY 25 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hqa h GLY 25 CO -0.02 0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.79 3hqa h ALA 26 N 1.62 1.00 -2.61 3.60 0.00 -0.58 -3.16 119.26 119.13 3hqa h ALA 26 Ca 0.15 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.54 3hqa h ALA 26 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hqa h ALA 26 CO -0.02 0.00 0.43 0.00 0.00 0.00 0.00 179.25 179.66 3hqa n VAL 28 N 2.64 3.74 -2.73 0.00 0.31 -1.26 -5.00 118.33 116.03 3hqa n VAL 28 Ca 0.03 -0.40 -0.05 0.00 -0.01 0.00 0.00 64.34 63.91 3hqa n VAL 28 Cb 0.47 -1.32 0.03 0.00 -0.91 0.00 0.00 33.84 32.12 3hqa n VAL 28 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3hqa n ASN 29 N -2.10 -2.69 0.21 4.52 2.85 -1.26 -5.02 115.26 111.77 3hqa n ASN 29 Ca 0.15 -2.45 0.17 0.00 -0.11 0.00 0.00 54.58 52.33 3hqa n ASN 29 Cb 0.49 1.45 0.83 0.00 1.24 0.00 0.00 39.78 43.79 3hqa n ASN 29 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 3hqa h ASN 30 N 4.42 0.00 -0.85 1.20 2.35 -2.02 0.25 115.58 120.94 3hqa h ASN 30 Ca -0.03 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3hqa h ASN 30 Cb 1.12 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.43 3hqa h ASN 30 CO 0.03 0.00 0.55 0.44 -1.65 0.00 0.00 177.43 176.80 3hqa h ASP 31 N 0.00 0.77 -4.39 5.81 3.32 -2.03 -3.44 116.42 116.45 3hqa h ASP 31 Ca 0.08 0.01 -0.45 0.00 0.02 0.00 0.00 57.03 56.69 3hqa h ASP 31 Cb 0.47 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 39.65 3hqa h ASP 31 CO -0.00 0.47 -0.79 -1.61 -1.72 0.00 0.00 179.24 175.59 3hqa s GLU 32 N -5.78 0.91 0.67 3.56 2.02 0.07 -5.14 118.70 115.02 3hqa s GLU 32 Ca -0.11 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 53.78 3hqa s GLU 32 Cb 0.20 -0.98 -0.01 0.00 0.10 0.00 0.00 34.13 33.44 3hqa s GLU 32 CO 0.79 0.22 1.05 0.95 0.02 0.00 0.00 175.26 178.29 3hqa s THR 33 N -1.21 4.21 0.20 3.63 -4.23 -1.26 -4.78 115.64 112.20 3hqa s THR 33 Ca 0.00 0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 61.13 3hqa s THR 33 Cb -0.10 -3.60 0.14 0.00 1.34 0.00 0.00 72.50 70.28 3hqa s THR 33 CO 0.03 -0.94 1.74 0.00 -0.54 0.00 0.00 174.62 174.91 3hqa h GLU 35 N 0.39 0.94 -0.42 0.00 3.07 -1.96 0.25 114.58 116.85 3hqa h GLU 35 Ca 0.30 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3hqa h GLU 35 Cb 0.36 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3hqa h GLU 35 CO -0.30 0.63 0.25 1.96 -1.40 0.00 0.00 179.01 180.14 3hqa h GLN 36 N 0.96 0.58 -0.47 2.33 4.20 -1.60 -1.25 115.11 119.86 3hqa h GLN 36 Ca 0.26 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 3hqa h GLN 36 Cb -0.10 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3hqa h GLN 36 CO -0.06 0.44 -0.07 0.00 -0.67 0.00 0.00 178.83 178.47 3hqa h ARG 37 N 0.56 0.88 -0.27 1.46 3.08 -1.13 -3.04 114.38 115.92 3hqa h ARG 37 Ca 0.15 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3hqa h ARG 37 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3hqa h ARG 37 CO -0.03 0.96 0.02 0.00 -1.07 0.00 0.00 179.97 179.86 3hqa h ALA 38 N 0.89 1.54 -0.87 0.04 0.00 -0.66 -2.46 119.26 117.75 3hqa h ALA 38 Ca 0.12 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hqa h ALA 38 Cb 0.61 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3hqa h ALA 38 CO 0.04 0.34 0.56 0.00 0.00 0.00 0.00 179.25 180.19 3hqa h ALA 39 N 1.64 1.64 0.00 0.00 0.00 -1.11 -2.31 119.26 119.13 3hqa h ALA 39 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hqa h ALA 39 Cb 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hqa h ALA 39 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3hqa h ARG 40 N 0.87 0.00 -6.70 0.00 3.08 -1.52 -3.45 114.38 106.66 3hqa h ARG 40 Ca 0.40 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.92 3hqa h ARG 40 Cb 0.38 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.49 3hqa h ARG 40 CO -0.16 0.00 0.92 0.42 -1.07 0.00 0.00 179.97 180.08 3hqa s ILE 41 N -3.22 2.24 -0.87 2.04 1.01 -0.87 -4.90 121.20 116.63 3hqa s ILE 41 Ca 0.08 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.99 3hqa s ILE 41 Cb 0.10 -3.12 0.15 0.00 0.01 0.00 0.00 42.46 39.60 3hqa s ILE 41 CO 0.56 0.02 0.97 -1.54 0.00 0.00 0.00 174.94 174.95 3hqa n SER 42 N 3.28 2.18 -3.69 3.58 3.41 -1.26 -4.98 113.62 116.14 3hqa n SER 42 Ca 0.12 -1.67 -0.23 0.00 -0.26 0.00 0.00 58.87 56.84 3hqa n SER 42 Cb 0.37 -0.09 0.15 0.00 -0.26 0.00 0.00 64.21 64.38 3hqa n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hqa n LEU 43 N 0.36 0.00 0.00 1.04 4.77 -1.26 -5.08 117.00 116.84 3hqa n LEU 43 Ca 0.07 -1.34 -0.28 0.00 -0.03 0.00 0.00 56.01 54.43 3hqa n LEU 43 Cb 0.29 -0.75 0.23 0.00 -2.33 0.00 0.00 43.42 40.86 3hqa n LEU 43 CO 0.06 -1.18 0.62 0.61 -1.33 0.00 0.00 177.39 176.17 3hqa n GLY 44 N -1.89 -2.55 0.26 -0.72 0.00 -1.26 -4.76 105.19 94.27 3hqa n GLY 44 Ca 0.14 -1.53 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 3hqa n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqa h PRO 45 N 0.00 0.76 -0.78 1.61 0.11 -1.99 -1.95 132.00 129.76 3hqa h PRO 45 Ca -0.39 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.81 3hqa h PRO 45 Cb 1.18 -0.17 -0.09 0.00 0.11 0.00 0.00 31.00 32.03 3hqa h PRO 45 CO 0.26 0.50 0.34 0.00 -0.21 0.00 0.00 178.00 178.89 3hqa h ARG 46 N 0.78 0.48 -0.27 1.05 3.08 -2.00 -1.18 114.38 116.32 3hqa h ARG 46 Ca 0.26 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 3hqa h ARG 46 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hqa h ARG 46 CO -0.11 0.32 0.02 0.00 -1.07 0.00 0.00 179.97 179.13 3hqa h ILE 48 N 0.25 1.18 -0.19 0.00 2.04 -0.77 0.38 117.51 120.40 3hqa h ILE 48 Ca 0.08 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3hqa h ILE 48 Cb 0.38 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3hqa h ILE 48 CO 0.01 0.19 0.07 0.11 0.00 0.00 0.00 178.15 178.53 3hqa h LYS 49 N 0.62 0.29 -0.65 2.37 1.57 -1.22 -1.44 116.57 118.11 3hqa h LYS 49 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3hqa h LYS 49 Cb 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3hqa h LYS 49 CO -0.02 0.36 0.29 0.00 -0.57 0.00 0.00 179.45 179.51 3hqa h ALA 50 N 0.91 0.84 -0.66 3.86 0.00 -1.33 0.13 119.26 123.00 3hqa h ALA 50 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hqa h ALA 50 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hqa h ALA 50 CO -0.00 0.43 0.42 0.35 0.00 0.00 0.00 179.25 180.44 3hqa h PHE 51 N 0.90 0.85 0.04 0.00 3.57 -0.85 -1.00 116.94 120.46 3hqa h PHE 51 Ca 0.22 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3hqa h PHE 51 Cb 0.16 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.62 3hqa h PHE 51 CO 0.01 0.56 -0.02 1.15 -2.23 0.00 0.00 178.31 177.77 3hqa h THR 52 N 0.89 1.34 -0.33 4.41 2.02 -0.86 -0.28 112.91 120.11 3hqa h THR 52 Ca 0.24 -1.43 0.06 0.00 0.77 0.00 0.00 66.41 66.05 3hqa h THR 52 Cb -0.06 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 3hqa h THR 52 CO -0.05 0.35 -0.07 -0.08 0.37 0.00 0.00 175.52 176.04 3hqa h GLU 53 N -0.71 0.01 -0.62 6.66 4.81 -0.78 0.28 114.58 124.24 3hqa h GLU 53 Ca -0.01 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3hqa h GLU 53 Cb 0.62 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3hqa h GLU 53 CO 0.01 0.01 0.08 0.00 -0.73 0.00 0.00 179.01 178.38 3hqa h VAL 56 N 0.06 1.15 -0.59 0.00 2.07 -0.67 -1.40 116.25 116.87 3hqa h VAL 56 Ca 0.05 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3hqa h VAL 56 Cb 0.04 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3hqa h VAL 56 CO -0.07 0.13 0.18 0.58 0.02 0.00 0.00 177.57 178.42 3hqa h VAL 57 N -0.08 1.24 -0.40 2.57 2.07 -1.25 -1.80 116.25 118.60 3hqa h VAL 57 Ca 0.02 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 3hqa h VAL 57 Cb 0.19 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hqa h VAL 57 CO -0.00 0.31 0.01 0.00 0.02 0.00 0.00 177.57 177.91 3hqa h ALA 58 N 1.05 1.27 -0.46 1.67 0.00 -1.10 -1.80 119.26 119.90 3hqa h ALA 58 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hqa h ALA 58 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hqa h ALA 58 CO -0.01 0.49 0.10 0.77 0.00 0.00 0.00 179.25 180.61 3hqa h SER 59 N 0.60 0.71 -0.25 0.00 0.02 -0.88 -1.77 113.55 111.99 3hqa h SER 59 Ca 0.12 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3hqa h SER 59 Cb 0.37 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3hqa h SER 59 CO 0.01 0.77 0.02 1.56 -1.14 0.00 0.00 176.83 178.05 3hqa h GLN 60 N 0.63 0.09 -0.35 3.45 1.08 -1.09 -0.87 115.11 118.05 3hqa h GLN 60 Ca 0.14 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.41 3hqa h GLN 60 Cb 0.34 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.67 3hqa h GLN 60 CO 0.00 0.06 -0.19 -0.07 -0.95 0.00 0.00 178.83 177.68 3hqa h LEU 61 N 0.10 -0.65 -1.74 1.46 3.38 -1.14 0.38 115.31 117.09 3hqa h LEU 61 Ca 0.12 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3hqa h LEU 61 Cb 0.14 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hqa h LEU 61 CO -0.18 -0.23 -0.16 0.03 0.09 0.00 0.00 178.44 177.99 3hqa h ARG 62 N -0.14 0.00 0.09 1.13 3.08 -1.14 -2.66 114.38 114.74 3hqa h ARG 62 Ca 0.18 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.02 3hqa h ARG 62 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.49 3hqa h ARG 62 CO -0.44 0.16 -0.87 0.00 -1.07 0.00 0.00 179.97 177.75 3hqa h ALA 63 N 1.84 -0.02 0.00 0.04 0.00 0.19 -3.18 119.26 118.14 3hqa h ALA 63 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hqa h ALA 63 Cb 0.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hqa h ALA 63 CO 0.02 0.45 0.04 0.09 0.00 0.00 0.00 179.25 179.85 3hqa n ASN 64 N -4.06 0.49 -1.69 0.00 3.02 0.12 -1.74 115.26 111.40 3hqa n ASN 64 Ca -0.13 0.72 -0.13 0.00 -0.03 0.00 0.00 54.58 55.00 3hqa n ASN 64 Cb 0.82 -0.77 0.10 0.00 -0.61 0.00 0.00 39.78 39.32 3hqa n ASN 64 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hqa n ILE 65 N -2.17 2.25 -1.25 2.41 5.41 -1.06 -5.09 119.36 119.87 3hqa n ILE 65 Ca -0.01 -1.09 0.00 0.00 1.00 0.00 0.00 62.75 62.64 3hqa n ILE 65 Cb 0.07 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 3hqa n ILE 65 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35