#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 3.39 -0.04 2.41 1.43 -1.26 -4.98 118.68 119.62 2aqa s LEU 3 Ca 0.00 1.83 0.10 0.00 -1.03 0.00 0.00 54.13 55.03 2aqa s LEU 3 Cb 0.00 -4.53 0.17 0.00 0.03 0.00 0.00 46.19 41.86 2aqa s LEU 3 CO 0.00 -1.38 1.08 0.80 0.23 0.00 0.00 176.35 177.08 2aqa n MET 4 N -2.39 0.39 -3.57 1.70 1.56 -1.26 -5.05 117.12 108.51 2aqa n MET 4 Ca 0.09 -1.69 -0.13 0.00 -0.27 0.00 0.00 57.70 55.70 2aqa n MET 4 Cb 0.53 -0.71 -0.06 0.00 2.15 0.00 0.00 33.22 35.13 2aqa n MET 4 CO 0.00 0.00 0.00 1.52 -0.73 0.00 0.00 175.97 176.76 2aqa s TYR 5 N -0.86 -0.51 -0.07 1.12 -0.85 -1.26 -3.56 117.35 111.36 2aqa s TYR 5 Ca 0.16 0.96 -0.12 0.00 -0.52 0.00 0.00 57.07 57.56 2aqa s TYR 5 Cb 0.16 0.41 -0.05 0.00 0.38 0.00 0.00 41.96 42.86 2aqa s TYR 5 CO -0.03 -0.41 0.29 0.95 -1.52 0.00 0.00 175.55 174.83 2aqa s THR 6 N -0.82 5.25 0.48 -3.49 -4.23 -0.87 -4.80 115.64 107.16 2aqa s THR 6 Ca -0.04 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 60.95 2aqa s THR 6 Cb -0.01 -3.58 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 2aqa s THR 6 CO 0.03 0.57 0.83 -0.76 -0.54 0.00 0.00 174.62 174.75 2aqa s LEU 7 N -0.88 3.64 0.00 4.79 1.43 -1.26 -1.28 118.68 125.12 2aqa s LEU 7 Ca 0.19 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2aqa s LEU 7 Cb -0.14 -4.04 0.06 0.00 0.03 0.00 0.00 46.19 42.10 2aqa s LEU 7 CO 0.09 -0.56 0.47 0.61 0.23 0.00 0.00 176.35 177.19 2aqa n GLY 8 N -1.97 1.26 0.12 -3.19 0.00 0.21 -4.92 105.19 96.71 2aqa n GLY 8 Ca 0.02 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.82 0.18 -0.05 1.61 -0.04 -1.26 -2.57 135.00 131.05 2aqa n PRO 9 Ca 0.09 0.42 0.01 0.00 -0.04 0.00 0.00 63.50 63.97 2aqa n PRO 9 Cb 0.31 -1.85 -0.16 0.00 -0.04 0.00 0.00 33.50 31.76 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 -2.19 0.29 0.00 3.54 -0.08 -1.26 -4.99 116.55 111.85 2aqa n ASP 10 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2aqa n ASP 10 Cb 0.22 1.50 0.00 0.00 2.34 0.00 0.00 41.12 45.18 2aqa n ASP 10 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2aqa n GLY 11 N 1.56 1.65 3.84 0.27 0.00 -1.06 -5.12 105.19 106.33 2aqa n GLY 11 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.06 3.99 0.33 1.61 2.47 -1.26 -4.76 119.74 122.06 2aqa s LYS 12 Ca 0.00 0.50 -0.26 0.00 -1.56 0.00 0.00 55.97 54.65 2aqa s LYS 12 Cb 0.00 -3.04 -0.10 0.00 -1.46 0.00 0.00 37.83 33.23 2aqa s LYS 12 CO 0.00 0.55 0.95 1.03 0.16 0.00 0.00 175.35 178.04 2aqa s ARG 13 N -1.66 4.56 -0.30 4.03 0.52 -1.26 -0.62 118.95 124.22 2aqa s ARG 13 Ca 0.34 1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 56.87 2aqa s ARG 13 Cb -0.16 -2.80 0.12 0.00 0.52 0.00 0.00 34.95 32.63 2aqa s ARG 13 CO 0.18 0.26 0.20 0.42 0.02 0.00 0.00 175.30 176.37 2aqa s ILE 14 N -1.60 -0.16 -0.51 1.52 1.01 -0.40 -4.93 121.20 116.13 2aqa s ILE 14 Ca 0.50 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 2aqa s ILE 14 Cb -0.19 -0.98 -0.11 0.00 0.01 0.00 0.00 42.46 41.19 2aqa s ILE 14 CO 0.24 -0.67 2.38 -1.22 0.00 0.00 0.00 174.94 175.67 2aqa n TYR 15 N 5.11 1.39 -2.31 3.97 4.02 -1.26 -2.05 117.16 126.02 2aqa n TYR 15 Ca -0.02 0.18 -0.01 0.00 -0.01 0.00 0.00 57.90 58.04 2aqa n TYR 15 Cb 0.43 -2.57 -0.01 0.00 -0.02 0.00 0.00 39.34 37.16 2aqa n TYR 15 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2aqa n THR 16 N 7.65 0.04 0.07 -0.72 5.66 -1.26 -4.95 114.28 120.77 2aqa n THR 16 Ca 0.43 -0.65 -0.14 0.00 -3.05 0.00 0.00 64.05 60.63 2aqa n THR 16 Cb 0.35 0.81 -0.08 0.00 -1.55 0.00 0.00 70.33 69.85 2aqa n THR 16 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2aqa h LEU 17 N 0.64 -1.43 -1.23 1.09 5.85 -1.83 -3.46 115.31 114.94 2aqa h LEU 17 Ca -0.37 0.17 -0.48 0.00 0.84 0.00 0.00 57.88 58.04 2aqa h LEU 17 Cb 1.67 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 43.20 2aqa h LEU 17 CO -0.06 -0.49 -0.79 0.29 -0.34 0.00 0.00 178.44 177.04 2aqa n LYS 18 N -5.46 -4.93 0.07 1.25 5.02 -1.26 -4.82 118.16 108.03 2aqa n LYS 18 Ca -0.07 0.56 0.20 0.00 -2.02 0.00 0.00 58.31 56.98 2aqa n LYS 18 Cb 0.39 -5.30 0.73 0.00 -0.02 0.00 0.00 35.03 30.83 2aqa n LYS 18 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2aqa h LYS 19 N -1.95 0.00 -7.11 1.97 3.64 -1.99 -3.42 116.57 107.70 2aqa h LYS 19 Ca -0.59 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.23 2aqa h LYS 19 Cb 1.37 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 33.35 2aqa h LYS 19 CO 0.66 0.00 0.52 0.08 -2.27 0.00 0.00 179.45 178.44 2aqa s VAL 20 N -4.84 2.05 0.60 2.00 1.01 -1.26 -5.03 120.40 114.93 2aqa s VAL 20 Ca -0.05 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2aqa s VAL 20 Cb 0.18 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.63 2aqa s VAL 20 CO 0.65 -0.01 0.83 0.28 0.00 0.00 0.00 175.10 176.85 2aqa s THR 21 N -1.39 2.27 -0.13 3.92 -1.32 -1.26 -5.04 115.64 112.68 2aqa s THR 21 Ca 0.82 -0.86 0.15 0.00 -1.21 0.00 0.00 61.69 60.60 2aqa s THR 21 Cb -0.37 -2.41 0.31 0.00 -1.51 0.00 0.00 72.50 68.51 2aqa s THR 21 CO 0.40 0.00 1.16 -1.84 -2.21 0.00 0.00 174.62 172.12 2aqa n GLU 22 N -2.39 1.12 -1.21 7.08 0.28 -1.26 -4.89 120.64 119.37 2aqa n GLU 22 Ca 0.14 -2.57 -0.36 0.00 -0.16 0.00 0.00 57.16 54.21 2aqa n GLU 22 Cb 0.61 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 32.15 2aqa n GLU 22 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2aqa n SER 23 N -1.01 8.07 0.14 -1.84 2.88 -1.26 -3.95 113.62 116.66 2aqa n SER 23 Ca 0.14 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 2aqa n SER 23 Cb 0.70 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2aqa n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aqa n GLY 24 N 3.59 -0.35 3.56 0.46 0.00 -1.26 -5.06 105.19 106.14 2aqa n GLY 24 Ca 0.72 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.33 2aqa n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aqa s GLU 25 N -1.95 3.59 0.11 1.61 -6.30 -1.25 -5.04 118.70 109.47 2aqa s GLU 25 Ca 0.00 0.06 0.10 0.00 -2.50 0.00 0.00 54.97 52.63 2aqa s GLU 25 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 34.13 30.23 2aqa s GLU 25 CO 0.00 -0.91 -0.26 -1.50 0.02 0.00 0.00 175.26 172.61 2aqa s ILE 26 N 3.02 2.32 -0.37 -3.70 2.07 -1.26 -5.11 121.20 118.17 2aqa s ILE 26 Ca 0.28 -1.66 -0.18 0.00 -1.41 0.00 0.00 60.65 57.69 2aqa s ILE 26 Cb -0.13 -2.01 0.00 0.00 0.13 0.00 0.00 42.46 40.45 2aqa s ILE 26 CO 0.18 0.14 0.48 0.42 -1.91 0.00 0.00 174.94 174.25 2aqa s THR 27 N -1.03 5.04 1.19 4.00 -4.23 -1.26 -5.06 115.64 114.29 2aqa s THR 27 Ca 0.14 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.64 2aqa s THR 27 Cb -0.10 -3.98 0.30 0.00 1.34 0.00 0.00 72.50 70.06 2aqa s THR 27 CO 0.06 -0.27 1.02 -1.59 -0.54 0.00 0.00 174.62 173.29 2aqa s LYS 28 N 2.31 -1.17 -1.37 3.99 -2.85 -1.26 -3.35 119.74 116.04 2aqa s LYS 28 Ca 0.16 0.87 -0.09 0.00 -1.00 0.00 0.00 55.97 55.91 2aqa s LYS 28 Cb -0.16 -1.52 0.06 0.00 -2.06 0.00 0.00 37.83 34.15 2aqa s LYS 28 CO 0.14 -3.90 0.56 -1.13 0.10 0.00 0.00 175.35 171.12 2aqa n SER 29 N -5.04 -4.33 -3.31 0.03 3.41 -1.26 -4.93 113.62 98.18 2aqa n SER 29 Ca 0.03 -0.41 -0.06 0.00 -0.26 0.00 0.00 58.87 58.16 2aqa n SER 29 Cb 0.54 -3.55 -0.07 0.00 -0.26 0.00 0.00 64.21 60.88 2aqa n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aqa s ALA 30 N -3.02 -1.33 0.12 7.33 0.00 -1.21 -5.16 121.76 118.48 2aqa s ALA 30 Ca 0.41 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 2aqa s ALA 30 Cb -0.21 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.16 2aqa s ALA 30 CO 0.50 -1.27 0.33 -1.01 0.00 0.00 0.00 175.76 174.32 2aqa s HIS 31 N 2.61 -0.05 -0.79 0.00 3.76 -1.26 -4.89 115.29 114.67 2aqa s HIS 31 Ca 0.14 -0.30 -0.25 0.00 -0.15 0.00 0.00 55.06 54.50 2aqa s HIS 31 Cb -0.15 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.65 2aqa s HIS 31 CO -0.17 -0.66 1.92 -1.25 -0.85 0.00 0.00 174.74 173.72 2aqa s PRO 32 N -3.83 2.58 0.13 8.40 0.04 -1.26 -4.86 135.00 136.20 2aqa s PRO 32 Ca 0.05 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.10 2aqa s PRO 32 Cb 0.03 -4.80 0.02 0.00 0.04 0.00 0.00 34.50 29.78 2aqa s PRO 32 CO -0.11 -3.13 0.26 0.00 0.04 0.00 0.00 177.00 174.06 2aqa n ALA 33 N 13.52 -0.58 -3.65 8.56 0.00 -1.26 -5.18 120.51 131.92 2aqa n ALA 33 Ca 0.33 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 2aqa n ALA 33 Cb 0.49 0.33 -0.06 0.00 0.00 0.00 0.00 19.45 20.21 2aqa n ALA 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2aqa s ARG 34 N -2.03 0.15 -0.24 0.00 1.70 -1.26 -5.03 118.95 112.23 2aqa s ARG 34 Ca 0.05 0.24 0.13 0.00 -0.47 0.00 0.00 55.73 55.69 2aqa s ARG 34 Cb -0.02 0.04 0.56 0.00 -0.57 0.00 0.00 34.95 34.97 2aqa s ARG 34 CO 0.04 -0.03 1.51 1.97 -1.08 0.00 0.00 175.30 177.71 2aqa n PHE 35 N 2.99 1.29 -3.25 5.89 -1.74 -1.26 -4.99 117.46 116.39 2aqa n PHE 35 Ca -0.16 -1.17 -0.12 0.00 -0.56 0.00 0.00 57.45 55.43 2aqa n PHE 35 Cb 0.57 -0.45 0.01 0.00 1.52 0.00 0.00 39.48 41.13 2aqa n PHE 35 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2aqa n SER 36 N -0.66 -6.85 0.18 5.98 7.64 -1.26 -4.86 113.62 113.78 2aqa n SER 36 Ca 0.29 -0.17 0.14 0.00 1.01 0.00 0.00 58.87 60.14 2aqa n SER 36 Cb 1.04 -4.02 0.56 0.00 -1.01 0.00 0.00 64.21 60.78 2aqa n SER 36 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2aqa h PRO 37 N 0.80 0.00 -6.69 1.43 0.13 -2.01 -3.43 132.00 122.24 2aqa h PRO 37 Ca -0.22 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.44 2aqa h PRO 37 Cb 1.15 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.51 2aqa h PRO 37 CO 0.29 0.00 -1.02 -3.47 -0.23 0.00 0.00 178.00 173.57 2aqa n ASP 38 N -2.50 -2.34 0.12 1.44 2.03 -1.26 -4.91 116.55 109.12 2aqa n ASP 38 Ca 0.02 -0.05 0.06 0.00 0.52 0.00 0.00 54.79 55.33 2aqa n ASP 38 Cb 0.25 -0.99 0.02 0.00 -0.72 0.00 0.00 41.12 39.68 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 -1.98 0.00 -0.06 1.67 3.32 -2.01 -3.24 116.42 114.12 2aqa h ASP 39 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2aqa h ASP 39 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2aqa h ASP 39 CO 0.38 0.30 0.00 1.17 -1.72 0.00 0.00 179.24 179.36 2aqa n LYS 40 N -2.98 1.32 -0.16 3.56 3.00 -1.26 -4.01 118.16 117.63 2aqa n LYS 40 Ca -0.01 -0.47 0.25 0.00 -0.00 0.00 0.00 58.31 58.08 2aqa n LYS 40 Cb 0.67 -1.37 0.68 0.00 0.00 0.00 0.00 35.03 35.01 2aqa n LYS 40 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.40 177.50 2aqa h TYR 41 N 1.00 0.09 -3.70 5.64 -0.00 -1.82 -3.26 116.97 114.93 2aqa h TYR 41 Ca 0.00 0.00 -0.77 0.00 -0.00 0.00 0.00 58.73 57.97 2aqa h TYR 41 Cb 0.22 -0.03 -0.28 0.00 -0.00 0.00 0.00 36.73 36.64 2aqa h TYR 41 CO 0.04 0.02 -0.03 0.45 -0.00 0.00 0.00 178.16 178.64 2aqa s SER 42 N -5.74 6.39 0.64 0.10 0.15 -1.26 -4.89 113.70 109.10 2aqa s SER 42 Ca -0.06 -2.63 0.37 0.00 0.70 0.00 0.00 55.95 54.34 2aqa s SER 42 Cb 0.21 -2.14 2.08 0.00 -1.71 0.00 0.00 66.02 64.46 2aqa s SER 42 CO 0.77 -0.56 2.24 0.08 1.20 0.00 0.00 173.24 176.97 2aqa h ARG 43 N 7.74 0.00 -0.86 5.44 -0.00 -1.92 -1.79 114.38 122.99 2aqa h ARG 43 Ca 0.04 0.00 0.21 0.00 -0.00 0.00 0.00 59.98 60.23 2aqa h ARG 43 Cb 1.03 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.95 2aqa h ARG 43 CO 0.77 0.00 0.58 0.37 -0.00 0.00 0.00 179.97 181.69 2aqa h GLN 44 N 0.00 0.25 -0.84 0.08 4.15 -1.91 0.12 115.11 116.95 2aqa h GLN 44 Ca 0.01 -0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.63 2aqa h GLN 44 Cb 0.18 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 2aqa h GLN 44 CO -0.00 0.17 0.58 -0.09 -1.93 0.00 0.00 178.83 177.56 2aqa h ARG 45 N 0.26 0.23 0.06 1.69 2.43 -1.73 -0.19 114.38 117.13 2aqa h ARG 45 Ca 0.43 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.32 2aqa h ARG 45 Cb 1.28 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.80 2aqa h ARG 45 CO -0.11 0.15 -1.07 0.28 -1.51 0.00 0.00 179.97 177.71 2aqa h VAL 46 N 0.24 1.31 -2.34 0.20 2.07 -0.98 -3.46 116.25 113.30 2aqa h VAL 46 Ca 0.42 -2.33 -0.60 0.00 0.82 0.00 0.00 66.70 65.02 2aqa h VAL 46 Cb 1.29 2.58 0.07 0.00 -1.52 0.00 0.00 31.29 33.71 2aqa h VAL 46 CO -0.10 0.71 0.64 0.41 0.02 0.00 0.00 177.57 179.24 2aqa n THR 47 N -3.89 0.46 -1.66 2.57 -1.04 -0.09 -4.84 114.28 105.80 2aqa n THR 47 Ca -0.12 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 2aqa n THR 47 Cb 0.90 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 68.01 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 0.50 4.08 0.35 -4.42 1.02 -1.26 -4.85 118.68 114.10 2aqa s LEU 48 Ca 0.75 2.38 0.08 0.00 0.02 0.00 0.00 54.13 57.36 2aqa s LEU 48 Cb -0.71 -3.52 0.65 0.00 0.02 0.00 0.00 46.19 42.62 2aqa s LEU 48 CO 0.45 -1.38 1.84 0.11 0.02 0.00 0.00 176.35 177.39 2aqa h LYS 49 N 12.17 0.26 -4.58 1.70 1.79 -1.90 -3.43 116.57 122.58 2aqa h LYS 49 Ca -0.46 -0.08 -0.35 0.00 -2.18 0.00 0.00 60.65 57.58 2aqa h LYS 49 Cb 1.24 -0.03 -0.27 0.00 -1.58 0.00 0.00 32.23 31.59 2aqa h LYS 49 CO 0.95 0.48 -0.76 -1.59 -1.08 0.00 0.00 179.45 177.44 2aqa s LYS 50 N -4.54 0.58 -0.12 3.15 -2.85 -1.26 -5.07 119.74 109.63 2aqa s LYS 50 Ca -0.05 -0.39 -0.09 0.00 -1.00 0.00 0.00 55.97 54.44 2aqa s LYS 50 Cb 0.15 -0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 35.32 2aqa s LYS 50 CO 0.75 0.14 0.12 -0.09 0.10 0.00 0.00 175.35 176.37 2aqa h ARG 51 N 5.59 0.00 -6.34 1.78 2.43 -2.03 -3.45 114.38 112.36 2aqa h ARG 51 Ca -0.31 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.22 2aqa h ARG 51 Cb 1.19 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.78 2aqa h ARG 51 CO 0.48 0.26 0.80 1.97 -1.51 0.00 0.00 179.97 181.96 2aqa n PHE 52 N -4.69 2.06 -2.09 2.20 -1.74 -1.26 -4.83 117.46 107.11 2aqa n PHE 52 Ca -0.06 0.33 -0.02 0.00 -0.56 0.00 0.00 57.45 57.15 2aqa n PHE 52 Cb 0.19 -2.51 -0.02 0.00 1.52 0.00 0.00 39.48 38.66 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2aqa n GLY 53 N 3.55 0.75 0.08 4.97 0.00 -1.26 -4.90 105.19 108.38 2aqa n GLY 53 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2aqa n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aqa n LEU 54 N 0.09 0.28 -3.69 0.99 0.00 -1.26 -4.96 117.00 108.44 2aqa n LEU 54 Ca -0.09 0.13 -0.11 0.00 0.00 0.00 0.00 56.01 55.94 2aqa n LEU 54 Cb 0.71 0.32 -0.10 0.00 0.00 0.00 0.00 43.42 44.35 2aqa n LEU 54 CO -0.06 0.37 0.13 0.54 0.00 0.00 0.00 177.39 178.37 2aqa s VAL 55 N -2.70 -0.01 -0.72 1.96 0.11 -1.26 -5.10 120.40 112.67 2aqa s VAL 55 Ca -0.08 0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 2aqa s VAL 55 Cb 0.08 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 2aqa s VAL 55 CO 0.84 0.02 1.89 -2.16 -3.33 0.00 0.00 175.10 172.36 2aqa s PRO 56 N 1.06 2.60 -1.15 1.54 0.04 -1.26 -4.90 135.00 132.93 2aqa s PRO 56 Ca -0.07 0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.03 2aqa s PRO 56 Cb -0.06 -4.63 -0.05 0.00 0.04 0.00 0.00 34.50 29.79 2aqa s PRO 56 CO -0.09 -2.97 1.89 0.20 0.04 0.00 0.00 177.00 176.07 2aqa s GLY 57 N 8.08 0.41 0.00 0.56 0.00 -1.26 -5.24 107.32 109.87 2aqa s GLY 57 Ca 0.68 -2.16 0.26 0.00 0.00 0.00 0.00 44.72 43.51 2aqa s GLY 57 CO 0.13 3.40 1.93 -1.06 0.00 0.00 0.00 173.10 177.49