#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqa s LEU 3 N 0.00 4.44 -0.13 2.41 1.43 -1.26 -4.93 118.68 120.64 2aqa s LEU 3 Ca 0.00 2.30 0.16 0.00 -1.03 0.00 0.00 54.13 55.56 2aqa s LEU 3 Cb 0.00 -3.61 0.28 0.00 0.03 0.00 0.00 46.19 42.90 2aqa s LEU 3 CO 0.00 -0.43 1.15 1.15 0.23 0.00 0.00 176.35 178.45 2aqa n MET 4 N 2.54 1.18 -3.63 1.70 0.00 -1.26 -4.70 117.12 112.95 2aqa n MET 4 Ca 0.05 -2.53 -0.04 0.00 0.00 0.00 0.00 57.70 55.18 2aqa n MET 4 Cb 0.44 -1.40 -0.06 0.00 0.00 0.00 0.00 33.22 32.20 2aqa n MET 4 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 2aqa s TYR 5 N -2.61 -0.83 0.17 3.17 1.13 -1.26 -2.44 117.35 114.68 2aqa s TYR 5 Ca 0.30 1.62 -0.23 0.00 -1.41 0.00 0.00 57.07 57.35 2aqa s TYR 5 Cb 0.27 0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 41.54 2aqa s TYR 5 CO 0.01 -0.41 0.74 0.95 -2.51 0.00 0.00 175.55 174.32 2aqa s THR 6 N 1.63 4.48 0.24 -3.49 -4.23 -1.25 -4.81 115.64 108.21 2aqa s THR 6 Ca -0.09 1.51 -0.07 0.00 -1.18 0.00 0.00 61.69 61.86 2aqa s THR 6 Cb -0.05 -4.01 -0.06 0.00 1.34 0.00 0.00 72.50 69.72 2aqa s THR 6 CO -0.17 0.42 0.53 -0.76 -0.54 0.00 0.00 174.62 174.09 2aqa s LEU 7 N -1.42 4.14 0.00 4.79 1.43 -1.26 -2.64 118.68 123.71 2aqa s LEU 7 Ca 0.37 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.25 2aqa s LEU 7 Cb -0.20 -3.58 0.15 0.00 0.03 0.00 0.00 46.19 42.59 2aqa s LEU 7 CO 0.24 -0.10 1.04 0.61 0.23 0.00 0.00 176.35 178.36 2aqa n GLY 8 N -0.41 0.36 0.00 -3.19 0.00 -0.21 -4.94 105.19 96.80 2aqa n GLY 8 Ca -0.01 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.10 2aqa n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aqa n PRO 9 N -2.97 0.07 -0.01 1.61 -0.04 -1.26 -2.26 135.00 130.14 2aqa n PRO 9 Ca 0.16 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2aqa n PRO 9 Cb 0.59 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 2aqa n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2aqa n ASP 10 N -1.43 1.06 0.00 3.54 2.03 -1.26 -4.99 116.55 115.50 2aqa n ASP 10 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2aqa n ASP 10 Cb 0.15 1.72 0.00 0.00 -0.72 0.00 0.00 41.12 42.27 2aqa n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aqa n GLY 11 N 1.56 0.97 3.82 0.27 0.00 -0.96 -5.11 105.19 105.74 2aqa n GLY 11 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2aqa n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aqa s LYS 12 N -0.34 2.92 0.03 1.61 2.20 -1.26 -4.72 119.74 120.17 2aqa s LYS 12 Ca 0.00 0.93 0.04 0.00 -0.36 0.00 0.00 55.97 56.59 2aqa s LYS 12 Cb 0.00 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 2aqa s LYS 12 CO 0.00 -1.11 -0.07 -0.98 -0.36 0.00 0.00 175.35 172.83 2aqa s ARG 13 N -5.05 2.46 -0.36 4.03 3.03 -1.26 -1.04 118.95 120.75 2aqa s ARG 13 Ca 0.58 -0.80 0.01 0.00 2.03 0.00 0.00 55.73 57.55 2aqa s ARG 13 Cb -0.14 -2.46 0.15 0.00 -1.03 0.00 0.00 34.95 31.47 2aqa s ARG 13 CO 0.55 0.58 0.25 0.42 -1.13 0.00 0.00 175.30 175.96 2aqa s ILE 14 N -1.06 0.10 -0.54 4.99 1.01 -1.08 -4.99 121.20 119.63 2aqa s ILE 14 Ca 0.19 -1.74 -0.31 0.00 0.00 0.00 0.00 60.65 58.78 2aqa s ILE 14 Cb -0.11 -1.07 -0.12 0.00 0.01 0.00 0.00 42.46 41.16 2aqa s ILE 14 CO 0.10 -0.97 2.38 -1.22 0.00 0.00 0.00 174.94 175.22 2aqa n TYR 15 N 3.91 1.32 -0.67 3.97 4.01 -1.26 -3.75 117.16 124.69 2aqa n TYR 15 Ca 0.14 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 2aqa n TYR 15 Cb 0.39 -2.54 0.00 0.00 -0.31 0.00 0.00 39.34 36.88 2aqa n TYR 15 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2aqa n THR 16 N 7.56 0.29 -2.59 -0.72 -1.04 -1.24 -5.00 114.28 111.55 2aqa n THR 16 Ca 0.45 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.05 62.02 2aqa n THR 16 Cb 0.30 0.94 -0.00 0.00 -1.82 0.00 0.00 70.33 69.74 2aqa n THR 16 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2aqa n LEU 17 N -0.15 -1.18 -4.55 -4.42 -0.00 -1.02 -4.80 117.00 100.88 2aqa n LEU 17 Ca 0.00 0.12 -0.37 0.00 -0.00 0.00 0.00 56.01 55.76 2aqa n LEU 17 Cb 0.39 -2.10 -0.03 0.00 -0.00 0.00 0.00 43.42 41.67 2aqa n LEU 17 CO 0.00 -0.07 1.94 -0.54 -0.00 0.00 0.00 177.39 178.72 2aqa s LYS 18 N -5.18 2.26 -0.25 1.96 1.02 -1.26 -4.87 119.74 113.41 2aqa s LYS 18 Ca 0.06 1.33 -0.30 0.00 0.02 0.00 0.00 55.97 57.08 2aqa s LYS 18 Cb -0.03 -4.54 -0.07 0.00 -0.52 0.00 0.00 37.83 32.67 2aqa s LYS 18 CO 0.08 -3.11 2.22 1.17 -0.92 0.00 0.00 175.35 174.79 2aqa n LYS 19 N 9.01 1.73 -2.66 1.68 4.81 -1.26 -4.76 118.16 126.71 2aqa n LYS 19 Ca 0.34 0.47 -0.37 0.00 -0.87 0.00 0.00 58.31 57.87 2aqa n LYS 19 Cb 0.54 -3.04 -0.05 0.00 0.02 0.00 0.00 35.03 32.50 2aqa n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2aqa s VAL 20 N 8.08 3.95 -0.26 3.15 0.11 -1.26 -5.01 120.40 129.16 2aqa s VAL 20 Ca 1.03 1.62 -0.28 0.00 -2.93 0.00 0.00 61.98 61.43 2aqa s VAL 20 Cb -0.47 -3.90 0.01 0.00 -1.53 0.00 0.00 36.38 30.48 2aqa s VAL 20 CO 0.39 0.14 1.00 -0.89 -3.33 0.00 0.00 175.10 172.41 2aqa s THR 21 N -1.56 4.66 0.33 5.04 2.01 -1.26 -5.02 115.64 119.85 2aqa s THR 21 Ca 0.52 1.83 -0.27 0.00 0.31 0.00 0.00 61.69 64.07 2aqa s THR 21 Cb -0.22 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 67.90 2aqa s THR 21 CO 0.27 -0.26 1.08 -1.83 -0.69 0.00 0.00 174.62 173.20 2aqa s GLU 22 N 3.26 4.42 0.01 4.92 -1.05 -1.26 -4.97 118.70 124.03 2aqa s GLU 22 Ca 0.42 1.69 -0.25 0.00 -0.15 0.00 0.00 54.97 56.68 2aqa s GLU 22 Cb -0.14 -2.91 -0.18 0.00 -0.44 0.00 0.00 34.13 30.46 2aqa s GLU 22 CO 0.09 0.05 1.36 0.77 0.95 0.00 0.00 175.26 178.48 2aqa h SER 23 N 3.24 -0.06 -4.16 0.83 0.02 -2.07 -3.49 113.55 107.85 2aqa h SER 23 Ca -0.47 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2aqa h SER 23 Cb 1.21 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2aqa h SER 23 CO 0.65 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2aqa n GLY 24 N -0.16 -1.15 3.91 -3.77 0.00 -1.26 -5.00 105.19 97.77 2aqa n GLY 24 Ca -0.08 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 2aqa n GLY 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aqa s GLU 25 N -1.36 2.77 -0.00 1.61 -1.05 -1.26 -5.13 118.70 114.28 2aqa s GLU 25 Ca 0.00 -1.29 0.05 0.00 -0.15 0.00 0.00 54.97 53.58 2aqa s GLU 25 Cb 0.00 -2.57 -0.01 0.00 -0.44 0.00 0.00 34.13 31.11 2aqa s GLU 25 CO 0.00 -0.04 -0.17 0.42 0.95 0.00 0.00 175.26 176.42 2aqa s ILE 26 N -2.33 1.35 0.00 1.83 1.01 -1.26 -5.14 121.20 116.65 2aqa s ILE 26 Ca 0.46 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2aqa s ILE 26 Cb -0.07 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2aqa s ILE 26 CO 0.29 0.33 0.11 0.28 0.00 0.00 0.00 174.94 175.94 2aqa s THR 27 N -0.47 4.89 -0.23 2.92 -1.32 -1.26 -5.06 115.64 115.11 2aqa s THR 27 Ca 0.06 -0.37 -0.29 0.00 -1.21 0.00 0.00 61.69 59.88 2aqa s THR 27 Cb -0.07 -3.26 -0.02 0.00 -1.51 0.00 0.00 72.50 67.64 2aqa s THR 27 CO -0.00 0.33 1.60 -0.75 -2.21 0.00 0.00 174.62 173.58 2aqa s LYS 28 N -1.83 3.79 -0.38 7.08 2.20 -1.26 -4.88 119.74 124.46 2aqa s LYS 28 Ca 0.24 1.62 0.06 0.00 -0.36 0.00 0.00 55.97 57.53 2aqa s LYS 28 Cb -0.12 -4.03 0.57 0.00 -1.51 0.00 0.00 37.83 32.74 2aqa s LYS 28 CO 0.16 -1.30 1.68 0.45 -0.36 0.00 0.00 175.35 175.98 2aqa n SER 29 N 8.44 3.37 -3.95 1.43 2.88 -1.26 -4.96 113.62 119.58 2aqa n SER 29 Ca 0.19 -3.72 -0.10 0.00 -1.33 0.00 0.00 58.87 53.90 2aqa n SER 29 Cb 0.45 -0.73 -0.12 0.00 -0.75 0.00 0.00 64.21 63.06 2aqa n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aqa s ALA 30 N -3.32 0.10 0.29 -1.46 0.00 -1.26 -5.17 121.76 110.93 2aqa s ALA 30 Ca 0.51 -0.39 0.11 0.00 0.00 0.00 0.00 51.96 52.19 2aqa s ALA 30 Cb 0.44 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 2aqa s ALA 30 CO 0.04 -0.10 -0.17 -1.01 0.00 0.00 0.00 175.76 174.53 2aqa s HIS 31 N -0.96 2.35 1.06 0.00 3.76 -1.26 -5.14 115.29 115.10 2aqa s HIS 31 Ca -0.10 -0.34 -0.14 0.00 -0.15 0.00 0.00 55.06 54.33 2aqa s HIS 31 Cb -0.07 -1.06 0.22 0.00 1.11 0.00 0.00 32.58 32.79 2aqa s HIS 31 CO -0.01 0.69 1.10 -1.25 -0.85 0.00 0.00 174.74 174.42 2aqa s PRO 32 N -3.54 -0.11 -0.47 8.40 0.04 -1.26 -4.89 135.00 133.17 2aqa s PRO 32 Ca 0.30 0.34 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 2aqa s PRO 32 Cb -0.04 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2aqa s PRO 32 CO 0.16 -3.06 2.12 0.00 0.04 0.00 0.00 177.00 176.26 2aqa s ALA 33 N -2.97 2.13 0.74 8.56 0.00 -1.26 -4.94 121.76 124.01 2aqa s ALA 33 Ca 0.67 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 2aqa s ALA 33 Cb -0.16 -4.25 0.04 0.00 0.00 0.00 0.00 23.12 18.75 2aqa s ALA 33 CO 0.57 -3.80 1.23 0.54 0.00 0.00 0.00 175.76 174.31 2aqa n ARG 34 N 8.95 0.61 -4.81 0.00 1.74 -1.26 -5.02 116.66 116.87 2aqa n ARG 34 Ca 0.29 0.27 -0.33 0.00 -0.77 0.00 0.00 57.85 57.31 2aqa n ARG 34 Cb 0.51 -2.47 -0.14 0.00 -1.02 0.00 0.00 32.46 29.34 2aqa n ARG 34 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2aqa s PHE 35 N -1.78 2.78 -0.45 -1.55 -0.71 -1.26 -5.05 117.98 109.96 2aqa s PHE 35 Ca 0.78 -0.50 0.07 0.00 -1.04 0.00 0.00 56.93 56.24 2aqa s PHE 35 Cb -0.33 -1.78 0.22 0.00 -1.21 0.00 0.00 43.02 39.92 2aqa s PHE 35 CO 0.46 -0.09 0.64 0.45 -1.34 0.00 0.00 175.22 175.34 2aqa n SER 36 N 3.16 -1.49 0.00 1.98 2.88 -1.26 -4.96 113.62 113.93 2aqa n SER 36 Ca -0.18 -2.86 0.07 0.00 -1.33 0.00 0.00 58.87 54.57 2aqa n SER 36 Cb 0.53 0.53 0.31 0.00 -0.75 0.00 0.00 64.21 64.83 2aqa n SER 36 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2aqa n PRO 37 N 1.98 0.04 -0.31 -1.46 -0.04 -1.26 -2.23 135.00 131.72 2aqa n PRO 37 Ca 0.18 0.24 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 2aqa n PRO 37 Cb 0.56 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.72 2aqa n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2aqa n ASP 38 N -1.46 2.74 0.18 3.54 2.03 -1.26 -3.96 116.55 118.36 2aqa n ASP 38 Ca 0.04 -2.16 0.07 0.00 0.52 0.00 0.00 54.79 53.26 2aqa n ASP 38 Cb 0.16 -0.38 0.14 0.00 -0.72 0.00 0.00 41.12 40.32 2aqa n ASP 38 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2aqa h ASP 39 N 2.46 0.00 0.73 1.67 3.32 -1.88 -3.19 116.42 119.53 2aqa h ASP 39 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2aqa h ASP 39 Cb 0.81 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 2aqa h ASP 39 CO 0.09 0.27 -0.68 0.11 -1.72 0.00 0.00 179.24 177.30 2aqa h LYS 40 N 0.00 0.00 0.00 3.56 1.57 -1.83 -2.90 116.57 116.97 2aqa h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aqa h LYS 40 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2aqa h LYS 40 CO 0.04 0.68 0.00 0.66 -0.57 0.00 0.00 179.45 180.26 2aqa n TYR 41 N -3.67 0.33 1.79 -1.35 4.02 -1.21 -1.88 117.16 115.19 2aqa n TYR 41 Ca -0.01 0.13 0.13 0.00 -0.01 0.00 0.00 57.90 58.15 2aqa n TYR 41 Cb 0.68 -0.72 0.68 0.00 -0.02 0.00 0.00 39.34 39.96 2aqa n TYR 41 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2aqa n SER 42 N -1.81 0.53 -0.11 7.72 2.88 -1.09 -3.29 113.62 118.45 2aqa n SER 42 Ca 0.03 -1.31 0.14 0.00 -1.33 0.00 0.00 58.87 56.39 2aqa n SER 42 Cb 0.18 -0.01 0.56 0.00 -0.75 0.00 0.00 64.21 64.18 2aqa n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2aqa n ARG 43 N -0.52 0.60 0.26 -1.46 3.00 -0.79 -3.81 116.66 113.94 2aqa n ARG 43 Ca 0.19 -0.23 0.18 0.00 -0.01 0.00 0.00 57.85 57.98 2aqa n ARG 43 Cb 0.18 -1.50 0.92 0.00 0.00 0.00 0.00 32.46 32.06 2aqa n ARG 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 2aqa h GLN 44 N 0.56 0.00 -1.00 5.56 -0.00 -1.78 -1.70 115.11 116.74 2aqa h GLN 44 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.65 58.80 2aqa h GLN 44 Cb 0.40 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.78 2aqa h GLN 44 CO 0.00 0.00 0.63 -0.09 -0.00 0.00 0.00 178.83 179.37 2aqa h ARG 45 N 0.00 0.89 0.03 0.06 9.65 -1.87 -2.29 114.38 120.84 2aqa h ARG 45 Ca 0.04 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 2aqa h ARG 45 Cb 0.32 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2aqa h ARG 45 CO -0.00 0.59 -0.49 0.28 2.80 0.00 0.00 179.97 183.14 2aqa h VAL 46 N 0.91 1.52 -3.27 0.20 2.07 -1.62 -3.45 116.25 112.61 2aqa h VAL 46 Ca 0.53 -2.17 -0.53 0.00 0.82 0.00 0.00 66.70 65.34 2aqa h VAL 46 Cb 0.64 2.87 0.08 0.00 -1.52 0.00 0.00 31.29 33.36 2aqa h VAL 46 CO -0.30 0.61 0.89 0.41 0.02 0.00 0.00 177.57 179.20 2aqa n THR 47 N -4.32 0.98 -3.38 2.57 -1.04 -0.86 -4.99 114.28 103.24 2aqa n THR 47 Ca -0.11 -0.25 0.02 0.00 -2.04 0.00 0.00 64.05 61.67 2aqa n THR 47 Cb 0.64 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.14 2aqa n THR 47 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2aqa s LEU 48 N -0.42 -0.80 -0.06 -4.42 1.02 -1.26 -4.91 118.68 107.82 2aqa s LEU 48 Ca 0.64 0.91 0.04 0.00 0.02 0.00 0.00 54.13 55.74 2aqa s LEU 48 Cb -0.49 1.84 -0.07 0.00 0.02 0.00 0.00 46.19 47.48 2aqa s LEU 48 CO 0.48 -0.15 -0.00 0.29 0.02 0.00 0.00 176.35 176.98 2aqa n LYS 49 N 5.22 2.31 -0.27 1.70 4.01 -1.26 -5.05 118.16 124.83 2aqa n LYS 49 Ca -0.08 0.01 -0.26 0.00 -0.51 0.00 0.00 58.31 57.47 2aqa n LYS 49 Cb 0.52 -1.16 0.25 0.00 -0.51 0.00 0.00 35.03 34.13 2aqa n LYS 49 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2aqa n LYS 50 N -2.35 -3.95 -3.40 1.97 4.01 -1.26 -3.68 118.16 109.50 2aqa n LYS 50 Ca -0.11 -1.22 -0.24 0.00 -0.51 0.00 0.00 58.31 56.23 2aqa n LYS 50 Cb 0.69 -1.72 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 2aqa n LYS 50 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2aqa n ARG 51 N -4.60 -3.75 -0.15 1.97 0.00 -1.26 -4.79 116.66 104.07 2aqa n ARG 51 Ca 0.12 0.54 0.27 0.00 -0.00 0.00 0.00 57.85 58.77 2aqa n ARG 51 Cb 0.50 -5.28 0.71 0.00 0.00 0.00 0.00 32.46 28.39 2aqa n ARG 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2aqa h PHE 52 N -1.14 0.02 0.00 -0.14 0.04 -1.98 -3.17 116.94 110.57 2aqa h PHE 52 Ca -0.46 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.68 2aqa h PHE 52 Cb 1.31 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.46 2aqa h PHE 52 CO 0.64 0.01 3.02 0.41 -0.60 0.00 0.00 178.31 181.79 2aqa n GLY 53 N -1.69 3.74 0.16 -1.45 0.00 -1.26 -4.57 105.19 100.11 2aqa n GLY 53 Ca 0.17 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.76 2aqa n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aqa h LEU 54 N 9.94 0.23 -2.44 0.99 5.85 -1.95 -3.48 115.31 124.45 2aqa h LEU 54 Ca 0.59 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 2aqa h LEU 54 Cb 0.49 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2aqa h LEU 54 CO 1.81 0.82 -0.20 0.52 -0.34 0.00 0.00 178.44 181.05 2aqa n VAL 55 N -3.82 -9.98 -2.14 1.05 0.31 -1.26 -4.89 118.33 97.59 2aqa n VAL 55 Ca -0.02 0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.95 2aqa n VAL 55 Cb 0.65 -6.78 -0.03 0.00 -0.91 0.00 0.00 33.84 26.78 2aqa n VAL 55 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2aqa s PRO 56 N -2.99 4.06 0.00 5.55 0.04 -1.26 -4.79 135.00 135.61 2aqa s PRO 56 Ca 0.07 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2aqa s PRO 56 Cb -0.02 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2aqa s PRO 56 CO 0.76 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 177.25 2aqa n GLY 57 N 4.18 0.86 0.00 0.56 0.00 -1.26 -5.31 105.19 104.22 2aqa n GLY 57 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2aqa n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14