#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 3.17 -0.30 2.41 1.43 -1.26 -5.03 118.68 119.10 2aqa s LEU 3 Ca 0.00 -0.66 0.11 0.00 -1.03 0.00 0.00 54.13 52.54 2aqa s LEU 3 Cb 0.00 -1.69 0.63 0.00 0.03 0.00 0.00 46.19 45.15 2aqa s LEU 3 CO 0.00 -0.00 1.64 0.23 0.23 0.00 0.00 176.35 178.45 2aqa n MET 4 N -0.89 2.88 -3.64 1.70 2.81 -1.26 -4.92 117.12 113.79 2aqa n MET 4 Ca -0.06 -3.05 -0.07 0.00 -1.81 0.00 0.00 57.70 52.71 2aqa n MET 4 Cb 0.59 -2.02 -0.07 0.00 -0.71 0.00 0.00 33.22 31.01 2aqa n MET 4 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 2aqa s TYR 5 N -3.06 -0.73 0.62 2.03 1.13 -1.26 -2.26 117.35 113.81 2aqa s TYR 5 Ca 0.50 1.55 -0.11 0.00 -1.41 0.00 0.00 57.07 57.60 2aqa s TYR 5 Cb 0.41 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.67 2aqa s TYR 5 CO 0.09 -0.36 1.02 0.95 -2.51 0.00 0.00 175.55 174.73 2aqa s THR 6 N 1.10 4.57 0.17 -3.49 -4.23 -0.20 -4.74 115.64 108.82 2aqa s THR 6 Ca -0.06 0.77 0.10 0.00 -1.18 0.00 0.00 61.69 61.32 2aqa s THR 6 Cb -0.04 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 2aqa s THR 6 CO -0.13 -1.06 -0.21 -0.76 -0.54 0.00 0.00 174.62 171.93 2aqa s LEU 7 N -5.16 2.57 0.00 4.79 1.43 -1.26 -0.10 118.68 120.95 2aqa s LEU 7 Ca 0.55 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2aqa s LEU 7 Cb -0.11 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2aqa s LEU 7 CO 0.53 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.85 2aqa n GLY 8 N 0.40 1.50 0.17 -3.19 0.00 0.83 -4.83 105.19 100.06 2aqa n GLY 8 Ca -0.13 -2.02 -0.00 0.00 0.00 0.00 0.00 46.02 43.86 2aqa n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aqa h PRO 9 N 0.00 0.05 -0.41 1.61 0.13 -2.01 -2.99 132.00 128.37 2aqa h PRO 9 Ca 0.00 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 2aqa h PRO 9 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2aqa h PRO 9 CO 0.00 0.52 0.05 -3.47 -0.23 0.00 0.00 178.00 174.88 2aqa n ASP 10 N -3.96 3.65 0.00 1.44 2.03 -1.26 -4.90 116.55 113.55 2aqa n ASP 10 Ca -0.02 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 51.99 2aqa n ASP 10 Cb 0.51 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.65 0.38 3.59 0.27 0.00 -1.13 -4.97 105.19 102.68 2aqa n GLY 11 Ca 0.30 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2aqa n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqa s LYS 12 N -2.07 3.23 0.40 1.61 -0.14 -1.26 -4.57 119.74 116.94 2aqa s LYS 12 Ca 0.00 1.39 -0.25 0.00 -1.36 0.00 0.00 55.97 55.75 2aqa s LYS 12 Cb 0.00 -4.23 -0.08 0.00 -1.68 0.00 0.00 37.83 31.83 2aqa s LYS 12 CO 0.00 -1.98 1.13 1.03 -0.76 0.00 0.00 175.35 174.76 2aqa s ARG 13 N 5.88 4.08 -0.23 1.68 0.52 -1.26 -0.12 118.95 129.49 2aqa s ARG 13 Ca 0.80 1.72 -0.03 0.00 -0.52 0.00 0.00 55.73 57.71 2aqa s ARG 13 Cb -0.22 -2.62 0.11 0.00 0.52 0.00 0.00 34.95 32.73 2aqa s ARG 13 CO 0.32 -0.27 0.23 0.42 0.02 0.00 0.00 175.30 176.03 2aqa s ILE 14 N -1.49 -0.32 -0.57 1.52 1.01 0.86 -4.94 121.20 117.26 2aqa s ILE 14 Ca 0.58 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 2aqa s ILE 14 Cb -0.28 -0.79 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 2aqa s ILE 14 CO 0.35 -0.32 2.31 -0.31 0.00 0.00 0.00 174.94 176.97 2aqa s TYR 15 N 2.32 1.20 -0.11 3.97 2.02 -1.26 -1.04 117.35 124.44 2aqa s TYR 15 Ca 0.08 1.48 0.14 0.00 -0.37 0.00 0.00 57.07 58.40 2aqa s TYR 15 Cb -0.15 -3.65 0.30 0.00 -0.40 0.00 0.00 41.96 38.05 2aqa s TYR 15 CO -0.20 -2.33 1.15 -2.37 -1.57 0.00 0.00 175.55 170.23 2aqa n THR 16 N 7.99 1.37 -0.17 -0.71 5.66 -1.23 -4.80 114.28 122.39 2aqa n THR 16 Ca 0.36 -1.98 0.24 0.00 -3.05 0.00 0.00 64.05 59.62 2aqa n THR 16 Cb 0.53 0.07 0.65 0.00 -1.55 0.00 0.00 70.33 70.03 2aqa n THR 16 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 2aqa h LEU 17 N 0.46 0.13 -1.86 1.09 8.10 -1.73 0.15 115.31 121.64 2aqa h LEU 17 Ca -0.03 0.01 0.22 0.00 0.11 0.00 0.00 57.88 58.19 2aqa h LEU 17 Cb 1.20 -0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 41.37 2aqa h LEU 17 CO 0.01 0.05 0.58 0.11 -4.11 0.00 0.00 178.44 175.09 2aqa h LYS 18 N 0.13 0.11 -6.17 0.17 1.57 -1.88 -3.40 116.57 107.10 2aqa h LYS 18 Ca 0.42 -0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 58.57 2aqa h LYS 18 Cb 1.44 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.73 2aqa h LYS 18 CO -0.06 0.07 1.24 1.17 -0.57 0.00 0.00 179.45 181.30 2aqa n LYS 19 N -4.36 1.98 -4.02 3.15 0.00 0.51 -4.96 118.16 110.45 2aqa n LYS 19 Ca 0.17 0.67 -0.29 0.00 0.00 0.00 0.00 58.31 58.86 2aqa n LYS 19 Cb 0.82 -2.74 -0.05 0.00 0.00 0.00 0.00 35.03 33.06 2aqa n LYS 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2aqa s VAL 20 N 5.47 4.76 0.50 3.15 0.11 -1.26 -5.12 120.40 128.00 2aqa s VAL 20 Ca 0.97 -0.77 0.08 0.00 -2.93 0.00 0.00 61.98 59.33 2aqa s VAL 20 Cb -0.65 -3.35 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2aqa s VAL 20 CO 0.48 0.05 0.54 0.28 -3.33 0.00 0.00 175.10 173.11 2aqa s THR 21 N -1.54 2.24 -0.67 5.04 -1.32 -1.26 -5.09 115.64 113.04 2aqa s THR 21 Ca 0.31 -1.24 0.02 0.00 -1.21 0.00 0.00 61.69 59.57 2aqa s THR 21 Cb -0.12 -2.48 0.17 0.00 -1.51 0.00 0.00 72.50 68.56 2aqa s THR 21 CO 0.24 0.00 0.47 -1.61 -2.21 0.00 0.00 174.62 171.51 2aqa s GLU 22 N -4.37 2.49 -1.52 7.08 2.02 -1.26 -4.75 118.70 118.40 2aqa s GLU 22 Ca 0.49 -2.99 0.00 0.00 0.02 0.00 0.00 54.97 52.49 2aqa s GLU 22 Cb -0.04 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.64 2aqa s GLU 22 CO 0.30 -1.21 0.00 0.45 0.02 0.00 0.00 175.26 174.82 2aqa n SER 23 N 2.62 -4.58 0.00 -0.19 2.88 -1.26 -4.60 113.62 108.48 2aqa n SER 23 Ca 0.14 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2aqa n SER 23 Cb 0.35 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.84 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 -0.65 0.69 2.88 0.46 0.00 -1.26 -4.74 105.19 102.56 2aqa n GLY 24 Ca -0.18 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.33 -0.02 1.61 2.12 -1.26 -5.03 118.70 116.44 2aqa s GLU 25 Ca 0.00 0.39 -0.23 0.00 0.36 0.00 0.00 54.97 55.49 2aqa s GLU 25 Cb 0.00 -0.60 -0.21 0.00 0.26 0.00 0.00 34.13 33.58 2aqa s GLU 25 CO 0.00 -0.71 1.11 0.82 -0.54 0.00 0.00 175.26 175.94 2aqa h ILE 26 N 6.21 1.48 -3.41 -3.70 1.08 -1.95 -3.44 117.51 113.78 2aqa h ILE 26 Ca -0.18 -1.79 -0.60 0.00 -0.39 0.00 0.00 64.86 61.90 2aqa h ILE 26 Cb 1.15 2.53 -0.33 0.00 -3.07 0.00 0.00 36.82 37.10 2aqa h ILE 26 CO 0.28 0.50 -0.85 0.42 -0.69 0.00 0.00 178.15 177.81 2aqa s THR 27 N -3.43 1.60 0.03 -0.27 -4.23 -1.26 -5.11 115.64 102.97 2aqa s THR 27 Ca -0.15 -0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 2aqa s THR 27 Cb 0.02 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 2aqa s THR 27 CO 0.75 0.46 1.23 -0.75 -0.54 0.00 0.00 174.62 175.76 2aqa s LYS 28 N 0.47 4.39 0.30 3.99 2.20 -1.26 -5.02 119.74 124.81 2aqa s LYS 28 Ca -0.16 1.78 -0.10 0.00 -0.36 0.00 0.00 55.97 57.13 2aqa s LYS 28 Cb -0.17 -3.42 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 2aqa s LYS 28 CO 0.06 -0.34 0.63 -1.54 -0.36 0.00 0.00 175.35 173.81 2aqa s SER 29 N 1.25 6.58 0.28 1.43 1.04 -1.26 -5.09 113.70 117.93 2aqa s SER 29 Ca 0.59 0.98 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 2aqa s SER 29 Cb -0.29 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2aqa s SER 29 CO 0.27 -0.20 0.51 0.00 0.98 0.00 0.00 173.24 174.80 2aqa s ALA 30 N -2.04 3.69 0.79 5.32 0.00 -1.26 -5.08 121.76 123.17 2aqa s ALA 30 Ca 0.49 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 2aqa s ALA 30 Cb -0.11 -2.19 0.07 0.00 0.00 0.00 0.00 23.12 20.89 2aqa s ALA 30 CO 0.25 0.22 1.09 -1.01 0.00 0.00 0.00 175.76 176.32 2aqa s HIS 31 N -2.09 2.54 -0.27 0.00 3.76 -1.26 -4.93 115.29 113.04 2aqa s HIS 31 Ca 0.42 1.52 0.27 0.00 -0.15 0.00 0.00 55.06 57.12 2aqa s HIS 31 Cb -0.10 -3.06 1.13 0.00 1.11 0.00 0.00 32.58 31.65 2aqa s HIS 31 CO 0.31 -1.87 1.81 -1.00 -0.85 0.00 0.00 174.74 173.14 2aqa h PRO 32 N -1.19 0.00 -2.88 8.40 0.13 -2.02 -3.41 132.00 131.03 2aqa h PRO 32 Ca -0.44 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 2aqa h PRO 32 Cb 1.24 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.05 2aqa h PRO 32 CO 0.52 0.00 -0.52 0.00 -0.23 0.00 0.00 178.00 177.76 2aqa s ALA 33 N -3.45 -0.56 -1.30 -0.56 0.00 -1.26 -5.05 121.76 109.58 2aqa s ALA 33 Ca 0.03 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 2aqa s ALA 33 Cb 0.09 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 2aqa s ALA 33 CO 0.44 -0.59 2.41 -2.13 0.00 0.00 0.00 175.76 175.88 2aqa n ARG 34 N 5.23 2.77 -4.29 0.00 0.63 -1.26 -4.84 116.66 114.90 2aqa n ARG 34 Ca -0.08 -2.11 -0.24 0.00 -0.92 0.00 0.00 57.85 54.49 2aqa n ARG 34 Cb 0.50 -2.90 -0.17 0.00 0.45 0.00 0.00 32.46 30.35 2aqa n ARG 34 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2aqa s PHE 35 N 3.18 1.32 0.47 -0.14 0.40 -1.26 -5.14 117.98 116.80 2aqa s PHE 35 Ca 0.55 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 56.31 2aqa s PHE 35 Cb 0.15 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 2aqa s PHE 35 CO -0.04 -0.33 0.76 -1.12 0.70 0.00 0.00 175.22 175.19 2aqa s SER 36 N 1.04 6.20 0.41 1.36 0.01 -1.26 -4.99 113.70 116.47 2aqa s SER 36 Ca -0.08 0.83 0.20 0.00 1.31 0.00 0.00 55.95 58.21 2aqa s SER 36 Cb -0.15 -2.15 0.87 0.00 0.21 0.00 0.00 66.02 64.81 2aqa s SER 36 CO -0.01 -0.59 1.83 1.55 0.41 0.00 0.00 173.24 176.44 2aqa h PRO 37 N 0.26 0.00 -0.42 12.44 0.13 -2.01 -3.46 132.00 138.94 2aqa h PRO 37 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 2aqa h PRO 37 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2aqa h PRO 37 CO 0.61 0.31 -0.16 -3.47 -0.23 0.00 0.00 178.00 175.06 2aqa n ASP 38 N -3.65 -5.17 0.17 1.44 2.03 -1.26 -4.83 116.55 105.28 2aqa n ASP 38 Ca -0.01 0.22 0.06 0.00 0.52 0.00 0.00 54.79 55.58 2aqa n ASP 38 Cb 0.42 -3.44 0.08 0.00 -0.72 0.00 0.00 41.12 37.46 2aqa n ASP 38 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2aqa h ASP 39 N 0.00 0.00 0.33 1.67 3.58 -2.00 -3.23 116.42 116.78 2aqa h ASP 39 Ca -0.18 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.20 2aqa h ASP 39 Cb 0.94 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 2aqa h ASP 39 CO 0.26 0.30 -0.33 0.50 -2.88 0.00 0.00 179.24 177.09 2aqa h LYS 40 N 0.00 0.00 -0.03 0.28 1.63 -2.01 -2.39 116.57 114.05 2aqa h LYS 40 Ca -0.01 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2aqa h LYS 40 Cb 1.23 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2aqa h LYS 40 CO 0.04 0.34 0.06 1.88 -3.45 0.00 0.00 179.45 178.32 2aqa h TYR 41 N 0.00 0.00 -1.93 1.91 -1.99 -1.96 -3.43 116.97 109.57 2aqa h TYR 41 Ca -0.00 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 60.08 2aqa h TYR 41 Cb 0.59 0.00 0.04 0.00 2.00 0.00 0.00 36.73 39.37 2aqa h TYR 41 CO 0.00 0.00 0.75 0.45 -0.00 0.00 0.00 178.16 179.36 2aqa n SER 42 N -3.46 2.58 -0.24 3.88 2.88 -0.90 -4.83 113.62 113.52 2aqa n SER 42 Ca -0.02 1.07 0.11 0.00 -1.33 0.00 0.00 58.87 58.70 2aqa n SER 42 Cb 0.14 -1.30 0.51 0.00 -0.75 0.00 0.00 64.21 62.82 2aqa n SER 42 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2aqa n ARG 43 N 3.99 1.32 0.24 -1.46 1.85 -1.26 -3.66 116.66 117.67 2aqa n ARG 43 Ca 0.20 -0.49 0.11 0.00 -1.00 0.00 0.00 57.85 56.68 2aqa n ARG 43 Cb 0.23 -1.36 0.54 0.00 -1.05 0.00 0.00 32.46 30.83 2aqa n ARG 43 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2aqa h GLN 44 N 1.01 0.00 0.15 2.89 5.75 -1.94 0.66 115.11 123.63 2aqa h GLN 44 Ca 0.00 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.16 2aqa h GLN 44 Cb 0.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 2aqa h GLN 44 CO 0.00 0.18 -1.75 0.07 -2.65 0.00 0.00 178.83 174.68 2aqa h ARG 45 N 0.00 0.32 0.00 1.69 -0.00 -1.88 -3.36 114.38 111.15 2aqa h ARG 45 Ca -0.00 -0.54 -0.18 0.00 -0.00 0.00 0.00 59.98 59.25 2aqa h ARG 45 Cb 0.63 0.20 -0.02 0.00 -0.00 0.00 0.00 29.97 30.78 2aqa h ARG 45 CO 0.02 1.21 -0.87 -0.24 -0.00 0.00 0.00 179.97 180.09 2aqa h VAL 46 N 0.09 1.59 -0.39 0.08 3.04 -1.74 -3.19 116.25 115.72 2aqa h VAL 46 Ca -0.33 -2.89 0.11 0.00 -1.01 0.00 0.00 66.70 62.58 2aqa h VAL 46 Cb 2.06 2.57 -0.02 0.00 -2.01 0.00 0.00 31.29 33.90 2aqa h VAL 46 CO 0.15 0.83 0.37 0.00 -1.01 0.00 0.00 177.57 177.91 2aqa h THR 47 N 0.02 0.49 -1.49 3.17 1.03 -1.01 -3.36 112.91 111.75 2aqa h THR 47 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.29 2aqa h THR 47 Cb 1.52 0.71 -0.26 0.00 -1.07 0.00 0.00 68.15 69.06 2aqa h THR 47 CO 0.12 0.00 -0.45 -0.76 -0.01 0.00 0.00 175.52 174.42 2aqa s LEU 48 N -7.82 -1.02 -0.13 0.00 1.43 -1.21 -5.01 118.68 104.93 2aqa s LEU 48 Ca -0.05 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.22 2aqa s LEU 48 Cb 0.17 1.47 -0.14 0.00 0.03 0.00 0.00 46.19 47.71 2aqa s LEU 48 CO 0.60 -0.32 -0.00 2.29 0.23 0.00 0.00 176.35 179.15 2aqa n LYS 49 N 5.38 1.58 -0.03 1.70 2.85 -1.25 -4.80 118.16 123.58 2aqa n LYS 49 Ca 0.00 0.02 -0.02 0.00 -1.05 0.00 0.00 58.31 57.26 2aqa n LYS 49 Cb 0.51 -1.32 -0.01 0.00 -0.65 0.00 0.00 35.03 33.56 2aqa n LYS 49 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2aqa n LYS 50 N -2.58 0.22 -2.05 -1.58 3.00 -1.26 -4.97 118.16 108.93 2aqa n LYS 50 Ca -0.22 0.38 -0.30 0.00 -0.00 0.00 0.00 58.31 58.17 2aqa n LYS 50 Cb 0.88 -1.21 0.02 0.00 0.00 0.00 0.00 35.03 34.73 2aqa n LYS 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2aqa s ARG 51 N -1.60 3.27 -0.05 1.64 1.70 -1.26 -5.09 118.95 117.55 2aqa s ARG 51 Ca -0.07 0.48 0.02 0.00 -0.47 0.00 0.00 55.73 55.69 2aqa s ARG 51 Cb 0.01 -2.13 0.02 0.00 -0.57 0.00 0.00 34.95 32.28 2aqa s ARG 51 CO 0.11 -0.68 -0.09 -0.06 -1.08 0.00 0.00 175.30 173.50 2aqa s PHE 52 N -3.15 1.12 -1.43 5.89 0.40 -1.26 -4.81 117.98 114.73 2aqa s PHE 52 Ca 0.55 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 56.42 2aqa s PHE 52 Cb -0.11 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 2aqa s PHE 52 CO 0.51 -0.23 2.85 0.41 0.70 0.00 0.00 175.22 179.45 2aqa n GLY 53 N 3.92 4.44 0.02 4.36 0.00 -1.26 -4.08 105.19 112.59 2aqa n GLY 53 Ca -0.24 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 2aqa n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aqa n LEU 54 N 2.98 0.00 -3.67 0.99 4.77 -1.26 -5.04 117.00 115.77 2aqa n LEU 54 Ca 0.72 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.60 2aqa n LEU 54 Cb 0.28 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2aqa n LEU 54 CO 0.76 0.12 0.21 0.54 -1.33 0.00 0.00 177.39 177.69 2aqa s VAL 55 N -2.18 -0.01 0.13 4.08 0.11 -1.26 -5.06 120.40 116.21 2aqa s VAL 55 Ca -0.03 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 2aqa s VAL 55 Cb 0.02 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 34.02 2aqa s VAL 55 CO 0.23 0.01 1.45 1.55 -3.33 0.00 0.00 175.10 175.02 2aqa h PRO 56 N 6.49 0.85 0.00 1.54 0.13 -1.96 -3.49 132.00 135.57 2aqa h PRO 56 Ca -0.32 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2aqa h PRO 56 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2aqa h PRO 56 CO 0.21 1.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.48 2aqa n GLY 57 N 0.15 1.14 0.41 1.56 0.00 -1.26 -5.21 105.19 101.99 2aqa n GLY 57 Ca -0.03 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.29 2aqa n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14