#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 1.53 -0.14 2.41 1.43 -1.26 -5.00 118.68 117.65 2aqa s LEU 3 Ca 0.00 0.72 0.18 0.00 -1.03 0.00 0.00 54.13 54.00 2aqa s LEU 3 Cb 0.00 -2.72 0.32 0.00 0.03 0.00 0.00 46.19 43.81 2aqa s LEU 3 CO 0.00 -3.33 1.17 1.15 0.23 0.00 0.00 176.35 175.57 2aqa n MET 4 N -4.25 1.38 -3.64 1.70 0.00 -1.26 -4.98 117.12 106.08 2aqa n MET 4 Ca 0.11 -2.70 -0.07 0.00 0.00 0.00 0.00 57.70 55.03 2aqa n MET 4 Cb 0.59 -1.53 -0.07 0.00 0.00 0.00 0.00 33.22 32.21 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 -2.94 -0.70 0.71 3.17 1.13 -1.26 -3.81 117.35 113.64 2aqa s TYR 5 Ca 0.33 1.53 -0.11 0.00 -1.41 0.00 0.00 57.07 57.41 2aqa s TYR 5 Cb 0.30 0.41 0.02 0.00 -1.10 0.00 0.00 41.96 41.58 2aqa s TYR 5 CO 0.02 -0.35 1.10 0.95 -2.51 0.00 0.00 175.55 174.76 2aqa s THR 6 N 0.93 3.48 0.14 -3.49 -4.23 -0.54 -4.77 115.64 107.17 2aqa s THR 6 Ca -0.04 0.48 0.07 0.00 -1.18 0.00 0.00 61.69 61.02 2aqa s THR 6 Cb -0.05 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 2aqa s THR 6 CO -0.11 -0.63 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.52 2aqa s LEU 7 N -5.38 3.15 0.00 4.79 1.43 -1.26 -0.10 118.68 121.31 2aqa s LEU 7 Ca 0.58 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2aqa s LEU 7 Cb -0.11 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2aqa s LEU 7 CO 0.52 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.84 2aqa n GLY 8 N 0.27 1.13 0.20 -3.19 0.00 0.59 -4.84 105.19 99.36 2aqa n GLY 8 Ca -0.11 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 43.89 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 0.34 -0.42 1.61 0.13 -2.01 -3.07 132.00 128.59 2aqa h PRO 9 Ca 0.00 -0.18 -0.12 0.00 -0.87 0.00 0.00 66.00 64.83 2aqa h PRO 9 Cb 0.00 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2aqa h PRO 9 CO 0.00 0.73 0.06 -3.47 -0.23 0.00 0.00 178.00 175.09 2aqa n ASP 10 N -3.99 3.62 -0.36 1.44 -0.08 -1.26 -4.91 116.55 111.01 2aqa n ASP 10 Ca -0.02 -3.33 -0.02 0.00 -1.51 0.00 0.00 54.79 49.91 2aqa n ASP 10 Cb 0.52 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.36 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 -0.67 0.34 3.56 0.27 0.00 -1.16 -5.00 105.19 102.53 2aqa n GLY 11 Ca 0.31 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.26 3.54 0.50 1.61 1.02 -1.26 -4.66 119.74 116.23 2aqa s LYS 12 Ca 0.01 0.07 -0.23 0.00 0.02 0.00 0.00 55.97 55.84 2aqa s LYS 12 Cb -0.00 -3.89 -0.07 0.00 -0.52 0.00 0.00 37.83 33.35 2aqa s LYS 12 CO 0.01 -1.04 1.40 2.89 -0.92 0.00 0.00 175.35 177.69 2aqa n ARG 13 N 6.68 1.98 -3.44 1.68 0.00 -1.26 -0.30 116.66 122.01 2aqa n ARG 13 Ca 0.03 0.71 -0.16 0.00 -0.00 0.00 0.00 57.85 58.43 2aqa n ARG 13 Cb 0.48 -2.61 -0.11 0.00 -0.00 0.00 0.00 32.46 30.22 2aqa n ARG 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2aqa s ILE 14 N -1.24 -0.40 -0.58 8.89 1.01 0.86 -4.88 121.20 124.86 2aqa s ILE 14 Ca 0.67 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 2aqa s ILE 14 Cb -0.43 -0.80 -0.11 0.00 0.01 0.00 0.00 42.46 41.12 2aqa s ILE 14 CO 0.53 -0.28 2.45 -1.22 0.00 0.00 0.00 174.94 176.42 2aqa n TYR 15 N 5.32 1.27 -2.21 3.97 4.01 -1.26 -1.47 117.16 126.79 2aqa n TYR 15 Ca -0.04 0.19 0.03 0.00 -0.16 0.00 0.00 57.90 57.91 2aqa n TYR 15 Cb 0.49 -2.57 0.02 0.00 -0.31 0.00 0.00 39.34 36.97 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 7.77 0.13 -1.68 -0.72 -1.04 -1.26 -4.93 114.28 112.55 2aqa n THR 16 Ca 0.44 -0.68 -0.48 0.00 -2.04 0.00 0.00 64.05 61.29 2aqa n THR 16 Cb 0.38 0.70 -0.05 0.00 -1.82 0.00 0.00 70.33 69.54 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 0.17 3.47 -0.21 -4.42 7.94 -1.25 -4.84 117.00 117.86 2aqa n LEU 17 Ca 0.04 0.97 0.11 0.00 -1.11 0.00 0.00 56.01 56.02 2aqa n LEU 17 Cb 0.92 -1.38 0.40 0.00 0.53 0.00 0.00 43.42 43.89 2aqa n LEU 17 CO -0.02 -0.05 1.22 0.11 -1.11 0.00 0.00 177.39 177.54 2aqa h LYS 18 N 9.16 0.64 -6.18 1.96 1.79 -1.94 -3.40 116.57 118.60 2aqa h LYS 18 Ca -0.48 -0.04 -0.56 0.00 -2.18 0.00 0.00 60.65 57.38 2aqa h LYS 18 Cb 1.27 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2aqa h LYS 18 CO 0.95 0.42 1.34 0.21 -1.08 0.00 0.00 179.45 181.29 2aqa s LYS 19 N -5.62 3.62 -0.03 3.15 2.36 -1.26 -4.97 119.74 116.99 2aqa s LYS 19 Ca -0.09 2.20 0.03 0.00 -2.55 0.00 0.00 55.97 55.56 2aqa s LYS 19 Cb 0.21 -4.24 0.00 0.00 -1.05 0.00 0.00 37.83 32.75 2aqa s LYS 19 CO 0.78 -1.54 -0.11 0.54 1.55 0.00 0.00 175.35 176.56 2aqa s VAL 20 N 6.36 0.95 -0.17 4.02 0.11 -1.26 -5.13 120.40 125.28 2aqa s VAL 20 Ca 0.92 -0.45 -0.21 0.00 -2.93 0.00 0.00 61.98 59.31 2aqa s VAL 20 Cb -0.36 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 2aqa s VAL 20 CO 0.37 0.29 0.63 -0.89 -3.33 0.00 0.00 175.10 172.17 2aqa s THR 21 N 0.19 5.04 -0.07 5.04 2.01 -1.26 -5.05 115.64 121.53 2aqa s THR 21 Ca -0.04 1.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.98 2aqa s THR 21 Cb -0.10 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2aqa s THR 21 CO 0.01 0.15 0.50 -1.83 -0.69 0.00 0.00 174.62 172.76 2aqa s GLU 22 N 1.66 4.27 -0.01 4.92 -1.05 -1.26 -4.97 118.70 122.26 2aqa s GLU 22 Ca 0.30 0.52 0.13 0.00 -0.15 0.00 0.00 54.97 55.77 2aqa s GLU 22 Cb -0.16 -3.38 -0.20 0.00 -0.44 0.00 0.00 34.13 29.94 2aqa s GLU 22 CO 0.11 0.29 0.72 1.03 0.95 0.00 0.00 175.26 178.36 2aqa h SER 23 N 6.16 0.00 -0.31 0.83 0.87 -2.02 -3.47 113.55 115.61 2aqa h SER 23 Ca -0.44 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.37 2aqa h SER 23 Cb 1.19 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.91 2aqa h SER 23 CO 0.72 0.89 0.33 -0.83 -0.53 0.00 0.00 176.83 177.41 2aqa s GLY 24 N -5.01 -0.04 0.11 5.77 0.00 -1.26 -5.05 107.32 101.84 2aqa s GLY 24 Ca -0.04 3.22 -0.23 0.00 0.00 0.00 0.00 44.72 47.67 2aqa s GLY 24 CO 0.82 3.60 1.70 -2.09 0.00 0.00 0.00 173.10 177.14 2aqa h GLU 25 N 7.59 -0.13 -5.99 2.90 4.22 -2.03 -3.41 114.58 117.73 2aqa h GLU 25 Ca -0.13 0.01 -0.57 0.00 0.08 0.00 0.00 59.36 58.75 2aqa h GLU 25 Cb 1.15 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2aqa h GLU 25 CO -0.04 -0.09 0.00 0.42 -2.18 0.00 0.00 179.01 177.13 2aqa s ILE 26 N -6.17 5.03 -0.17 2.32 1.01 -1.26 -4.95 121.20 117.00 2aqa s ILE 26 Ca -0.14 1.27 0.14 0.00 0.00 0.00 0.00 60.65 61.92 2aqa s ILE 26 Cb 0.08 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.39 2aqa s ILE 26 CO 0.67 0.32 0.04 1.07 0.00 0.00 0.00 174.94 177.04 2aqa n THR 27 N 3.39 1.17 -0.52 2.92 5.66 -1.26 -5.00 114.28 120.64 2aqa n THR 27 Ca -0.04 -0.70 -0.30 0.00 -3.05 0.00 0.00 64.05 59.95 2aqa n THR 27 Cb 0.51 -0.60 0.28 0.00 -1.55 0.00 0.00 70.33 68.96 2aqa n THR 27 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2aqa s LYS 28 N -2.41 -2.40 -0.26 1.09 -0.14 -1.26 -5.06 119.74 109.30 2aqa s LYS 28 Ca -0.10 0.19 -0.02 0.00 -1.36 0.00 0.00 55.97 54.68 2aqa s LYS 28 Cb 0.05 -1.44 0.14 0.00 -1.68 0.00 0.00 37.83 34.91 2aqa s LYS 28 CO 0.68 -4.54 0.41 0.45 -0.76 0.00 0.00 175.35 171.59 2aqa s SER 29 N -3.20 0.03 0.67 2.83 0.15 -1.26 -5.16 113.70 107.77 2aqa s SER 29 Ca 0.69 0.26 -0.13 0.00 0.70 0.00 0.00 55.95 57.47 2aqa s SER 29 Cb -0.14 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2aqa s SER 29 CO 0.58 -0.30 1.08 0.00 1.20 0.00 0.00 173.24 175.80 2aqa s ALA 30 N 2.59 2.55 -0.43 5.45 0.00 -1.26 -5.03 121.76 125.63 2aqa s ALA 30 Ca 0.14 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2aqa s ALA 30 Cb -0.15 -3.25 0.24 0.00 0.00 0.00 0.00 23.12 19.97 2aqa s ALA 30 CO -0.18 -1.24 1.00 1.58 0.00 0.00 0.00 175.76 176.92 2aqa n HIS 31 N -2.73 -2.31 -2.05 0.00 -0.00 -1.26 -5.09 115.22 101.78 2aqa n HIS 31 Ca 0.09 -1.29 -0.27 0.00 -0.00 0.00 0.00 57.72 56.25 2aqa n HIS 31 Cb 0.53 1.37 -0.05 0.00 -0.00 0.00 0.00 29.99 31.84 2aqa n HIS 31 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2aqa s PRO 32 N 0.55 2.56 -0.09 1.57 0.04 -1.26 -4.79 135.00 133.58 2aqa s PRO 32 Ca 0.29 -0.29 -0.02 0.00 0.04 0.00 0.00 61.00 61.02 2aqa s PRO 32 Cb 0.19 -5.06 -0.01 0.00 0.04 0.00 0.00 34.50 29.66 2aqa s PRO 32 CO -0.16 -3.37 -0.05 0.00 0.04 0.00 0.00 177.00 173.46 2aqa h ALA 33 N 11.29 0.00 -2.10 8.56 0.00 -2.05 -3.48 119.26 131.48 2aqa h ALA 33 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2aqa h ALA 33 Cb 1.01 0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 2aqa h ALA 33 CO 1.21 0.13 -0.10 1.03 0.00 0.00 0.00 179.25 181.52 2aqa s ARG 34 N -1.60 0.60 -0.21 0.00 1.81 -1.26 -5.16 118.95 113.13 2aqa s ARG 34 Ca -0.04 1.27 -0.22 0.00 -1.72 0.00 0.00 55.73 55.03 2aqa s ARG 34 Cb 0.01 0.44 0.06 0.00 -0.45 0.00 0.00 34.95 35.01 2aqa s ARG 34 CO 0.06 -0.18 0.60 -0.59 -0.68 0.00 0.00 175.30 174.51 2aqa s PHE 35 N 2.21 -0.65 0.28 -0.53 -0.71 -1.26 -5.18 117.98 112.14 2aqa s PHE 35 Ca -0.08 1.54 0.11 0.00 -1.04 0.00 0.00 56.93 57.46 2aqa s PHE 35 Cb -0.09 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 2aqa s PHE 35 CO -0.18 -0.35 -0.18 -1.12 -1.34 0.00 0.00 175.22 172.05 2aqa s SER 36 N 0.14 3.46 0.08 1.98 0.01 -1.26 -5.06 113.70 113.06 2aqa s SER 36 Ca -0.01 -1.05 -0.16 0.00 1.31 0.00 0.00 55.95 56.04 2aqa s SER 36 Cb -0.04 -0.28 -0.10 0.00 0.21 0.00 0.00 66.02 65.81 2aqa s SER 36 CO 0.02 -0.01 1.40 1.55 0.41 0.00 0.00 173.24 176.60 2aqa h PRO 37 N 2.28 0.60 -5.59 12.44 0.13 -2.07 -3.43 132.00 136.36 2aqa h PRO 37 Ca -0.40 -0.32 -0.66 0.00 -0.87 0.00 0.00 66.00 63.75 2aqa h PRO 37 Cb 1.25 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.14 2aqa h PRO 37 CO 0.61 0.91 -0.76 -0.51 -0.23 0.00 0.00 178.00 178.03 2aqa s ASP 38 N -6.42 4.08 0.24 1.44 1.01 -1.26 -5.00 116.67 110.77 2aqa s ASP 38 Ca -0.13 -0.27 0.19 0.00 0.71 0.00 0.00 52.55 53.05 2aqa s ASP 38 Cb 0.08 -1.42 0.06 0.00 1.01 0.00 0.00 42.92 42.65 2aqa s ASP 38 CO 0.81 0.22 1.22 -0.78 0.21 0.00 0.00 175.17 176.85 2aqa h ASP 39 N 6.31 0.00 0.49 0.27 3.58 -2.03 -3.24 116.42 121.81 2aqa h ASP 39 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2aqa h ASP 39 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2aqa h ASP 39 CO 0.55 0.27 0.00 0.29 -2.88 0.00 0.00 179.24 177.46 2aqa n LYS 40 N -2.97 0.36 -0.10 0.28 4.76 -1.26 -3.55 118.16 115.68 2aqa n LYS 40 Ca -0.01 0.04 0.25 0.00 -2.87 0.00 0.00 58.31 55.73 2aqa n LYS 40 Cb 0.66 -1.50 0.72 0.00 -1.84 0.00 0.00 35.03 33.07 2aqa n LYS 40 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 2aqa h TYR 41 N 0.00 0.00 -1.76 2.13 -0.00 -1.99 -3.39 116.97 111.96 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 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.98 2aqa h TYR 41 CO 0.00 0.00 1.57 -1.13 -0.00 0.00 0.00 178.16 178.60 2aqa n SER 42 N -4.24 2.74 0.13 0.10 3.41 -1.23 -4.80 113.62 109.73 2aqa n SER 42 Ca 0.15 -0.15 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 2aqa n SER 42 Cb 0.82 -1.56 0.04 0.00 -0.26 0.00 0.00 64.21 63.25 2aqa n SER 42 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2aqa h ARG 43 N 17.30 0.00 -0.60 4.33 0.11 -1.95 -3.30 114.38 130.26 2aqa h ARG 43 Ca -0.32 0.00 0.11 0.00 0.10 0.00 0.00 59.98 59.87 2aqa h ARG 43 Cb 1.26 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.25 2aqa h ARG 43 CO 1.06 0.55 0.15 0.37 0.10 0.00 0.00 179.97 182.20 2aqa h GLN 44 N 0.00 0.27 -0.17 0.08 -0.00 -1.90 0.26 115.11 113.65 2aqa h GLN 44 Ca -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2aqa h GLN 44 Cb 1.39 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.79 2aqa h GLN 44 CO 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 178.83 179.08 2aqa h ARG 45 N 0.28 0.25 0.10 1.69 -0.00 -1.98 -3.07 114.38 111.66 2aqa h ARG 45 Ca 0.32 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.76 2aqa h ARG 45 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.39 2aqa h ARG 45 CO -0.39 0.28 -0.05 0.28 0.00 0.00 0.00 179.97 180.09 2aqa h VAL 46 N 0.24 0.97 -4.27 2.04 2.07 -0.96 -3.46 116.25 112.89 2aqa h VAL 46 Ca 0.06 -1.37 -0.52 0.00 0.82 0.00 0.00 66.70 65.68 2aqa h VAL 46 Cb 0.18 1.71 0.18 0.00 -1.52 0.00 0.00 31.29 31.83 2aqa h VAL 46 CO 0.00 0.28 0.27 0.28 0.02 0.00 0.00 177.57 178.42 2aqa s THR 47 N -2.97 2.34 0.12 2.57 -1.32 0.65 -4.88 115.64 112.14 2aqa s THR 47 Ca -0.13 0.12 -0.33 0.00 -1.21 0.00 0.00 61.69 60.14 2aqa s THR 47 Cb -0.00 -2.31 -0.13 0.00 -1.51 0.00 0.00 72.50 68.55 2aqa s THR 47 CO 0.47 -0.14 1.70 0.18 -2.21 0.00 0.00 174.62 174.62 2aqa n LEU 48 N -3.87 3.45 -4.70 9.08 7.99 -1.26 -4.89 117.00 122.80 2aqa n LEU 48 Ca 0.12 1.04 -0.41 0.00 -0.01 0.00 0.00 56.01 56.75 2aqa n LEU 48 Cb 0.52 -1.46 -0.04 0.00 -0.11 0.00 0.00 43.42 42.33 2aqa n LEU 48 CO 0.50 -0.10 0.50 -0.54 -1.51 0.00 0.00 177.39 176.24 2aqa s LYS 49 N 1.82 4.43 0.31 3.23 1.02 -1.26 -5.06 119.74 124.23 2aqa s LYS 49 Ca 0.81 1.02 0.06 0.00 0.02 0.00 0.00 55.97 57.88 2aqa s LYS 49 Cb -0.62 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.20 2aqa s LYS 49 CO 0.39 -0.05 0.44 0.15 -0.92 0.00 0.00 175.35 175.37 2aqa s LYS 50 N 1.14 3.19 -0.03 1.68 1.02 -1.26 -5.09 119.74 120.40 2aqa s LYS 50 Ca 0.41 -0.95 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 2aqa s LYS 50 Cb -0.18 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 2aqa s LYS 50 CO 0.19 0.15 0.67 1.03 -0.92 0.00 0.00 175.35 176.47 2aqa s ARG 51 N -4.12 4.41 0.03 1.68 3.00 -1.26 -4.96 118.95 117.73 2aqa s ARG 51 Ca 0.42 0.85 0.14 0.00 0.00 0.00 0.00 55.73 57.14 2aqa s ARG 51 Cb -0.09 -3.40 -0.17 0.00 0.00 0.00 0.00 34.95 31.28 2aqa s ARG 51 CO 0.31 0.20 0.84 0.74 0.00 0.00 0.00 175.30 177.39 2aqa h PHE 52 N 6.21 0.00 -0.60 -0.53 0.04 -2.06 -3.41 116.94 116.58 2aqa h PHE 52 Ca -0.43 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.75 2aqa h PHE 52 Cb 1.20 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.29 2aqa h PHE 52 CO 0.65 0.81 2.04 0.41 -0.60 0.00 0.00 178.31 181.62 2aqa n GLY 53 N 1.45 2.41 0.00 -1.45 0.00 -1.26 -4.75 105.19 101.59 2aqa n GLY 53 Ca -0.11 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 9.59 1.32 -3.70 0.99 7.99 -1.26 -4.97 117.00 126.96 2aqa n LEU 54 Ca 0.48 0.30 -0.14 0.00 -0.01 0.00 0.00 56.01 56.64 2aqa n LEU 54 Cb 0.45 -0.26 -0.14 0.00 -0.11 0.00 0.00 43.42 43.36 2aqa n LEU 54 CO 0.78 -0.26 -0.18 -0.69 -1.51 0.00 0.00 177.39 175.52 2aqa s VAL 55 N -0.64 -0.18 0.21 4.08 1.01 -1.26 -5.14 120.40 118.47 2aqa s VAL 55 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2aqa s VAL 55 Cb 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 2aqa s VAL 55 CO 0.00 0.10 1.30 -2.16 0.00 0.00 0.00 175.10 174.34 2aqa s PRO 56 N 1.76 4.40 0.00 2.72 0.04 -1.26 -4.07 135.00 138.58 2aqa s PRO 56 Ca -0.04 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2aqa s PRO 56 Cb -0.11 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2aqa s PRO 56 CO -0.07 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2aqa n GLY 57 N 2.24 1.79 0.00 0.56 0.00 -1.26 -5.30 105.19 103.22 2aqa n GLY 57 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2aqa n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93