#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 4.25 -0.32 2.39 1.43 -1.26 -4.94 118.68 120.23 2aqa s LEU 3 Ca 0.00 2.36 0.10 0.00 -1.03 0.00 0.00 54.13 55.56 2aqa s LEU 3 Cb 0.00 -3.95 0.66 0.00 0.03 0.00 0.00 46.19 42.93 2aqa s LEU 3 CO 0.00 -0.60 1.71 0.23 0.23 0.00 0.00 176.35 177.91 2aqa n MET 4 N 0.26 3.00 -3.63 1.70 2.81 -1.26 -4.93 117.12 115.07 2aqa n MET 4 Ca 0.03 -3.06 -0.11 0.00 -1.81 0.00 0.00 57.70 52.75 2aqa n MET 4 Cb 0.46 -2.08 -0.07 0.00 -0.71 0.00 0.00 33.22 30.82 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 -3.07 -0.58 0.03 2.03 1.13 -1.26 -3.92 117.35 111.71 2aqa s TYR 5 Ca 0.52 1.38 -0.18 0.00 -1.41 0.00 0.00 57.07 57.38 2aqa s TYR 5 Cb 0.43 0.34 -0.06 0.00 -1.10 0.00 0.00 41.96 41.57 2aqa s TYR 5 CO 0.10 -0.30 0.51 0.95 -2.51 0.00 0.00 175.55 174.30 2aqa s THR 6 N 0.13 4.88 0.40 -3.49 -4.23 0.22 -4.76 115.64 108.78 2aqa s THR 6 Ca 0.01 1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 61.59 2aqa s THR 6 Cb -0.04 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 2aqa s THR 6 CO -0.03 0.53 0.63 -0.76 -0.54 0.00 0.00 174.62 174.46 2aqa s LEU 7 N -0.89 3.86 0.00 4.79 1.43 -1.26 -0.48 118.68 126.13 2aqa s LEU 7 Ca 0.27 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 2aqa s LEU 7 Cb -0.18 -3.49 0.06 0.00 0.03 0.00 0.00 46.19 42.61 2aqa s LEU 7 CO 0.16 -0.41 0.46 0.61 0.23 0.00 0.00 176.35 177.40 2aqa n GLY 8 N -1.96 1.36 0.08 -3.19 0.00 0.29 -4.89 105.19 96.88 2aqa n GLY 8 Ca -0.03 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.79 0.12 -0.02 1.61 -0.04 -1.26 -2.63 135.00 130.99 2aqa n PRO 9 Ca 0.08 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 63.94 2aqa n PRO 9 Cb 0.30 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.95 2.13 0.00 3.54 2.03 -1.26 -5.00 116.55 116.04 2aqa n ASP 10 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2aqa n ASP 10 Cb 0.20 1.41 0.00 0.00 -0.72 0.00 0.00 41.12 42.02 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 1.89 1.77 3.72 0.27 0.00 -1.08 -5.11 105.19 106.65 2aqa n GLY 11 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.03 4.52 0.38 1.61 2.47 -1.26 -4.70 119.74 122.73 2aqa s LYS 12 Ca 0.00 1.20 -0.25 0.00 -1.56 0.00 0.00 55.97 55.36 2aqa s LYS 12 Cb 0.00 -3.43 -0.09 0.00 -1.46 0.00 0.00 37.83 32.85 2aqa s LYS 12 CO 0.00 0.06 1.06 1.03 0.16 0.00 0.00 175.35 177.66 2aqa s ARG 13 N 0.70 4.22 -0.21 4.03 0.52 -1.26 -0.55 118.95 126.41 2aqa s ARG 13 Ca 0.45 1.57 -0.04 0.00 -0.52 0.00 0.00 55.73 57.19 2aqa s ARG 13 Cb -0.20 -2.64 0.09 0.00 0.52 0.00 0.00 34.95 32.72 2aqa s ARG 13 CO 0.24 -0.10 0.19 0.42 0.02 0.00 0.00 175.30 176.07 2aqa s ILE 14 N -1.57 -0.26 -0.63 1.52 1.01 0.37 -4.93 121.20 116.70 2aqa s ILE 14 Ca 0.56 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.75 2aqa s ILE 14 Cb -0.24 -0.70 -0.09 0.00 0.01 0.00 0.00 42.46 41.44 2aqa s ILE 14 CO 0.30 -0.28 2.35 -0.31 0.00 0.00 0.00 174.94 177.00 2aqa s TYR 15 N 2.27 1.17 -0.34 3.97 1.51 -1.26 -0.61 117.35 124.06 2aqa s TYR 15 Ca 0.06 1.63 0.16 0.00 -1.01 0.00 0.00 57.07 57.91 2aqa s TYR 15 Cb -0.16 -3.59 0.44 0.00 -0.11 0.00 0.00 41.96 38.54 2aqa s TYR 15 CO -0.15 -2.13 0.93 0.25 -1.11 0.00 0.00 175.55 173.34 2aqa n THR 16 N 8.22 0.95 -0.21 -0.71 -2.24 -1.26 -4.94 114.28 114.10 2aqa n THR 16 Ca 0.39 -3.50 0.02 0.00 -2.27 0.00 0.00 64.05 58.69 2aqa n THR 16 Cb 0.50 0.32 0.13 0.00 -2.10 0.00 0.00 70.33 69.18 2aqa n THR 16 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2aqa h LEU 17 N 2.97 0.07 0.79 3.22 3.38 -1.85 -3.44 115.31 120.44 2aqa h LEU 17 Ca -0.03 0.11 -0.39 0.00 0.09 0.00 0.00 57.88 57.66 2aqa h LEU 17 Cb 1.11 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2aqa h LEU 17 CO 0.53 0.03 -0.58 0.29 0.09 0.00 0.00 178.44 178.80 2aqa n LYS 18 N -5.10 -4.28 -0.11 1.13 5.02 -1.26 -4.87 118.16 108.69 2aqa n LYS 18 Ca 0.10 0.72 -0.08 0.00 -2.02 0.00 0.00 58.31 57.03 2aqa n LYS 18 Cb 0.35 -5.52 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 2aqa n LYS 18 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2aqa h LYS 19 N -1.22 0.47 -6.61 1.97 1.57 -2.02 -3.42 116.57 107.32 2aqa h LYS 19 Ca -0.49 -0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 57.75 2aqa h LYS 19 Cb 1.33 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2aqa h LYS 19 CO 0.55 0.31 0.19 0.08 -0.57 0.00 0.00 179.45 180.01 2aqa s VAL 20 N -6.16 4.40 0.00 0.50 1.01 -1.26 -5.02 120.40 113.87 2aqa s VAL 20 Ca -0.13 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2aqa s VAL 20 Cb 0.10 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2aqa s VAL 20 CO 0.72 0.34 0.82 0.41 0.00 0.00 0.00 175.10 177.38 2aqa n THR 21 N 1.08 0.00 -3.93 3.92 -1.04 -1.26 -4.74 114.28 108.30 2aqa n THR 21 Ca -0.03 1.32 -0.32 0.00 -2.04 0.00 0.00 64.05 62.98 2aqa n THR 21 Cb 0.50 -2.21 -0.04 0.00 -1.82 0.00 0.00 70.33 66.75 2aqa n THR 21 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2aqa s GLU 22 N -2.26 3.38 -0.51 -2.82 -1.05 -1.26 -5.07 118.70 109.11 2aqa s GLU 22 Ca 0.00 -0.44 0.06 0.00 -0.15 0.00 0.00 54.97 54.44 2aqa s GLU 22 Cb 0.00 -3.02 0.21 0.00 -0.44 0.00 0.00 34.13 30.88 2aqa s GLU 22 CO 0.00 0.62 0.51 0.43 0.95 0.00 0.00 175.26 177.77 2aqa n SER 23 N 0.47 1.25 -3.70 0.83 7.64 -1.26 -5.09 113.62 113.76 2aqa n SER 23 Ca -0.07 -2.85 -0.14 0.00 1.01 0.00 0.00 58.87 56.82 2aqa n SER 23 Cb 0.51 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 2aqa n SER 23 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2aqa s GLY 24 N -1.12 -0.26 -0.24 0.23 0.00 -1.26 -5.13 107.32 99.54 2aqa s GLY 24 Ca 0.33 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.36 2aqa s GLY 24 CO -0.13 0.35 1.15 1.85 0.00 0.00 0.00 173.10 176.33 2aqa s GLU 25 N -1.22 4.16 -0.07 2.90 2.12 -1.26 -4.98 118.70 120.34 2aqa s GLU 25 Ca -0.12 1.37 -0.30 0.00 0.36 0.00 0.00 54.97 56.28 2aqa s GLU 25 Cb -0.04 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2aqa s GLU 25 CO 0.05 -0.78 1.47 0.42 -0.54 0.00 0.00 175.26 175.88 2aqa s ILE 26 N 3.56 3.81 0.57 -3.70 1.01 -1.26 -4.99 121.20 120.20 2aqa s ILE 26 Ca 0.49 1.05 -0.18 0.00 0.00 0.00 0.00 60.65 62.01 2aqa s ILE 26 Cb -0.17 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2aqa s ILE 26 CO 0.13 -0.07 1.13 0.42 0.00 0.00 0.00 174.94 176.55 2aqa s THR 27 N 3.43 3.17 0.27 2.92 -4.23 -1.26 -4.98 115.64 114.96 2aqa s THR 27 Ca 0.65 0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 61.55 2aqa s THR 27 Cb -0.29 -3.24 -0.10 0.00 1.34 0.00 0.00 72.50 70.21 2aqa s THR 27 CO 0.24 -0.21 1.21 -0.54 -0.54 0.00 0.00 174.62 174.79 2aqa s LYS 28 N -3.50 4.49 0.70 3.99 3.01 -1.26 -5.04 119.74 122.13 2aqa s LYS 28 Ca 0.71 1.99 -0.02 0.00 -1.01 0.00 0.00 55.97 57.64 2aqa s LYS 28 Cb -0.23 -3.16 0.10 0.00 -1.01 0.00 0.00 37.83 33.54 2aqa s LYS 28 CO 0.31 -0.03 0.97 -1.54 0.51 0.00 0.00 175.35 175.57 2aqa s SER 29 N -0.45 4.52 -1.33 2.83 1.04 -1.26 -4.50 113.70 114.55 2aqa s SER 29 Ca 0.49 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.75 2aqa s SER 29 Cb -0.35 -0.36 0.02 0.00 0.10 0.00 0.00 66.02 65.42 2aqa s SER 29 CO 0.44 -1.73 0.83 0.00 0.98 0.00 0.00 173.24 173.76 2aqa n ALA 30 N -2.80 -1.85 -1.19 5.32 0.00 -1.26 -4.95 120.51 113.78 2aqa n ALA 30 Ca 0.13 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 2aqa n ALA 30 Cb 0.60 -2.69 0.11 0.00 0.00 0.00 0.00 19.45 17.47 2aqa n ALA 30 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2aqa s HIS 31 N -3.53 2.44 -0.54 0.00 3.76 -1.26 -4.91 115.29 111.24 2aqa s HIS 31 Ca 0.15 1.55 -0.27 0.00 -0.15 0.00 0.00 55.06 56.34 2aqa s HIS 31 Cb -0.07 -3.09 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 2aqa s HIS 31 CO 0.80 -1.98 1.82 -1.25 -0.85 0.00 0.00 174.74 173.28 2aqa s PRO 32 N -4.88 2.84 0.36 8.40 0.04 -1.26 -4.98 135.00 135.51 2aqa s PRO 32 Ca 0.62 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 2aqa s PRO 32 Cb -0.18 -4.32 -0.06 0.00 0.04 0.00 0.00 34.50 29.97 2aqa s PRO 32 CO 0.56 -2.47 0.70 0.00 0.04 0.00 0.00 177.00 175.83 2aqa s ALA 33 N 8.38 3.43 0.28 8.56 0.00 -1.26 -5.01 121.76 136.14 2aqa s ALA 33 Ca 0.70 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2aqa s ALA 33 Cb -0.15 -2.59 -0.14 0.00 0.00 0.00 0.00 23.12 20.25 2aqa s ALA 33 CO 0.24 0.12 1.17 -2.13 0.00 0.00 0.00 175.76 175.16 2aqa n ARG 34 N -1.04 1.63 -3.10 0.00 0.63 -1.26 -4.92 116.66 108.60 2aqa n ARG 34 Ca 0.01 0.57 -0.41 0.00 -0.92 0.00 0.00 57.85 57.10 2aqa n ARG 34 Cb 0.54 -2.06 -0.06 0.00 0.45 0.00 0.00 32.46 31.32 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 -0.78 3.19 -0.41 -0.14 0.40 -1.26 -4.91 117.98 114.07 2aqa s PHE 35 Ca 0.61 0.52 0.02 0.00 -0.60 0.00 0.00 56.93 57.48 2aqa s PHE 35 Cb -0.68 -3.07 0.27 0.00 0.51 0.00 0.00 43.02 40.05 2aqa s PHE 35 CO 0.58 -0.54 1.09 0.45 0.70 0.00 0.00 175.22 177.50 2aqa n SER 36 N 5.98 -2.05 0.03 1.36 2.88 -1.26 -5.02 113.62 115.54 2aqa n SER 36 Ca -0.01 -2.57 -0.06 0.00 -1.33 0.00 0.00 58.87 54.90 2aqa n SER 36 Cb 0.49 1.31 0.13 0.00 -0.75 0.00 0.00 64.21 65.39 2aqa n SER 36 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2aqa h PRO 37 N 3.43 0.44 0.00 -1.46 0.13 -2.02 -3.46 132.00 129.05 2aqa h PRO 37 Ca -0.20 -0.23 -0.54 0.00 -0.87 0.00 0.00 66.00 64.17 2aqa h PRO 37 Cb 1.13 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 2aqa h PRO 37 CO 0.07 0.80 -0.47 -3.47 -0.23 0.00 0.00 178.00 174.69 2aqa n ASP 38 N -4.00 0.61 0.12 1.44 2.03 -1.26 -5.05 116.55 110.44 2aqa n ASP 38 Ca -0.02 -3.21 0.06 0.00 0.52 0.00 0.00 54.79 52.15 2aqa n ASP 38 Cb 0.52 1.25 0.03 0.00 -0.72 0.00 0.00 41.12 42.21 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 1.79 0.00 0.46 1.67 3.32 -2.01 -3.26 116.42 118.39 2aqa h ASP 39 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2aqa h ASP 39 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2aqa h ASP 39 CO 0.46 0.27 0.00 2.29 -1.72 0.00 0.00 179.24 180.54 2aqa n LYS 40 N -2.97 0.14 -0.17 3.56 -0.00 -1.26 -2.73 118.16 114.73 2aqa n LYS 40 Ca -0.01 0.47 0.27 0.00 -0.00 0.00 0.00 58.31 59.04 2aqa n LYS 40 Cb 0.66 -1.83 0.70 0.00 -0.00 0.00 0.00 35.03 34.57 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 0.00 0.05 -3.00 5.58 -0.00 -1.98 -3.41 116.97 114.22 2aqa h TYR 41 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 58.20 2aqa h TYR 41 Cb 0.23 -0.02 0.02 0.00 -0.00 0.00 0.00 36.73 36.97 2aqa h TYR 41 CO 0.00 0.01 0.73 -1.54 -0.00 0.00 0.00 178.16 177.36 2aqa s SER 42 N -5.69 6.84 0.43 0.10 1.04 -1.11 -4.90 113.70 110.41 2aqa s SER 42 Ca -0.05 2.30 0.21 0.00 0.48 0.00 0.00 55.95 58.89 2aqa s SER 42 Cb 0.21 -2.58 0.98 0.00 0.10 0.00 0.00 66.02 64.73 2aqa s SER 42 CO 0.77 -0.65 1.88 0.08 0.98 0.00 0.00 173.24 176.30 2aqa h ARG 43 N 6.88 0.00 -0.52 4.02 0.11 -1.93 -2.95 114.38 119.99 2aqa h ARG 43 Ca -0.42 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.60 2aqa h ARG 43 Cb 1.21 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 2aqa h ARG 43 CO 0.86 0.27 0.10 0.37 0.10 0.00 0.00 179.97 181.67 2aqa h GLN 44 N 0.00 0.85 -0.26 0.08 -0.00 -1.92 -1.61 115.11 112.25 2aqa h GLN 44 Ca -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2aqa h GLN 44 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.99 2aqa h GLN 44 CO 0.03 0.83 0.16 -0.09 0.00 0.00 0.00 178.83 179.76 2aqa h ARG 45 N 0.74 0.35 0.02 1.69 9.65 -1.85 -2.43 114.38 122.55 2aqa h ARG 45 Ca 0.16 -0.02 -0.25 0.00 -1.10 0.00 0.00 59.98 58.77 2aqa h ARG 45 Cb 0.37 -0.08 0.02 0.00 -1.39 0.00 0.00 29.97 28.90 2aqa h ARG 45 CO 0.01 0.24 -0.99 0.28 2.80 0.00 0.00 179.97 182.31 2aqa h VAL 46 N 0.36 1.31 -2.85 0.20 2.07 -1.50 -3.45 116.25 112.38 2aqa h VAL 46 Ca 0.10 -2.25 -0.55 0.00 0.82 0.00 0.00 66.70 64.81 2aqa h VAL 46 Cb -0.02 2.49 0.08 0.00 -1.52 0.00 0.00 31.29 32.31 2aqa h VAL 46 CO -0.02 0.69 0.81 0.41 0.02 0.00 0.00 177.57 179.48 2aqa n THR 47 N -3.92 0.69 -0.47 2.57 -1.04 -0.64 -4.96 114.28 106.51 2aqa n THR 47 Ca -0.11 -0.17 -0.27 0.00 -2.04 0.00 0.00 64.05 61.45 2aqa n THR 47 Cb 0.86 -1.76 0.22 0.00 -1.82 0.00 0.00 70.33 67.83 2aqa n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2aqa n LEU 48 N 2.63 -1.45 -4.68 -4.42 7.99 -1.26 -4.78 117.00 111.03 2aqa n LEU 48 Ca 0.12 -0.42 -0.48 0.00 -0.01 0.00 0.00 56.01 55.22 2aqa n LEU 48 Cb 0.34 -0.97 -0.05 0.00 -0.11 0.00 0.00 43.42 42.64 2aqa n LEU 48 CO 0.63 -3.59 1.49 2.29 -1.51 0.00 0.00 177.39 176.70 2aqa n LYS 49 N -3.53 2.23 -1.03 3.23 2.85 -1.26 -4.85 118.16 115.80 2aqa n LYS 49 Ca 0.06 0.82 -0.11 0.00 -1.05 0.00 0.00 58.31 58.02 2aqa n LYS 49 Cb 0.52 -2.67 0.25 0.00 -0.65 0.00 0.00 35.03 32.48 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 6.62 2.90 -0.05 -1.58 4.81 -1.26 -4.30 118.16 125.29 2aqa n LYS 50 Ca 0.22 -3.07 -0.05 0.00 -0.87 0.00 0.00 58.31 54.55 2aqa n LYS 50 Cb 0.30 -2.13 -0.15 0.00 0.02 0.00 0.00 35.03 33.08 2aqa n LYS 50 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2aqa n ARG 51 N -0.66 0.67 -3.86 1.64 1.85 -1.26 -5.00 116.66 110.04 2aqa n ARG 51 Ca 0.45 0.04 -0.26 0.00 -1.00 0.00 0.00 57.85 57.08 2aqa n ARG 51 Cb 1.41 -1.60 0.02 0.00 -1.05 0.00 0.00 32.46 31.24 2aqa n ARG 51 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2aqa n PHE 52 N -2.73 -1.98 -1.67 2.89 3.72 -1.26 -4.84 117.46 111.58 2aqa n PHE 52 Ca -0.22 0.84 -0.40 0.00 -0.05 0.00 0.00 57.45 57.62 2aqa n PHE 52 Cb 1.00 -4.03 -0.02 0.00 -0.94 0.00 0.00 39.48 35.49 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aqa n GLY 53 N -1.68 4.75 3.90 1.37 0.00 -1.26 -4.95 105.19 107.31 2aqa n GLY 53 Ca -0.16 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 2aqa n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqa s LEU 54 N -0.98 2.86 -0.45 0.99 1.43 -1.26 -5.05 118.68 116.22 2aqa s LEU 54 Ca 0.61 0.89 0.07 0.00 -1.03 0.00 0.00 54.13 54.67 2aqa s LEU 54 Cb 0.18 -3.60 0.23 0.00 0.03 0.00 0.00 46.19 43.03 2aqa s LEU 54 CO -0.08 -1.45 0.53 0.52 0.23 0.00 0.00 176.35 176.11 2aqa n VAL 55 N -2.99 -0.11 -2.26 -1.59 0.31 -1.26 -5.12 118.33 105.32 2aqa n VAL 55 Ca 0.07 -4.18 -0.40 0.00 -0.01 0.00 0.00 64.34 59.82 2aqa n VAL 55 Cb 0.59 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 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 -1.24 4.37 0.00 5.55 0.04 -1.26 -4.91 135.00 137.55 2aqa s PRO 56 Ca 0.35 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2aqa s PRO 56 Cb 0.14 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2aqa s PRO 56 CO -0.11 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.24 2aqa n GLY 57 N 0.88 -0.80 0.00 0.56 0.00 -1.26 -5.34 105.19 99.23 2aqa n GLY 57 Ca 0.01 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.22 2aqa n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26