#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 2.86 -0.36 2.39 1.43 -1.26 -4.98 118.68 118.77 2aqa s LEU 3 Ca 0.00 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.26 2aqa s LEU 3 Cb 0.00 -3.85 0.70 0.00 0.03 0.00 0.00 46.19 43.08 2aqa s LEU 3 CO 0.00 -1.40 1.82 0.23 0.23 0.00 0.00 176.35 177.23 2aqa n MET 4 N -3.04 3.19 -3.59 1.70 2.81 -1.26 -4.85 117.12 112.09 2aqa n MET 4 Ca 0.07 -2.96 -0.02 0.00 -1.81 0.00 0.00 57.70 52.98 2aqa n MET 4 Cb 0.58 -2.18 -0.05 0.00 -0.71 0.00 0.00 33.22 30.85 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 -3.00 -0.95 0.19 2.03 1.13 -1.26 -3.00 117.35 112.48 2aqa s TYR 5 Ca 0.54 1.75 -0.28 0.00 -1.41 0.00 0.00 57.07 57.68 2aqa s TYR 5 Cb 0.44 0.57 -0.08 0.00 -1.10 0.00 0.00 41.96 41.79 2aqa s TYR 5 CO 0.12 -0.47 0.85 0.95 -2.51 0.00 0.00 175.55 174.50 2aqa s THR 6 N 2.16 4.26 0.45 -3.49 -4.23 -0.38 -4.73 115.64 109.68 2aqa s THR 6 Ca -0.07 1.88 0.01 0.00 -1.18 0.00 0.00 61.69 62.33 2aqa s THR 6 Cb -0.07 -4.23 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 2aqa s THR 6 CO -0.18 0.50 0.66 -0.76 -0.54 0.00 0.00 174.62 174.30 2aqa s LEU 7 N -1.08 3.65 0.00 4.79 1.43 -1.26 -0.34 118.68 125.86 2aqa s LEU 7 Ca 0.39 0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.79 2aqa s LEU 7 Cb -0.24 -3.11 0.08 0.00 0.03 0.00 0.00 46.19 42.94 2aqa s LEU 7 CO 0.29 -0.71 0.63 0.61 0.23 0.00 0.00 176.35 177.40 2aqa n GLY 8 N -2.06 2.03 0.01 -3.19 0.00 0.39 -4.91 105.19 97.46 2aqa n GLY 8 Ca 0.02 -2.22 0.07 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.00 0.01 -0.01 1.61 -0.04 -1.26 -2.49 135.00 130.82 2aqa n PRO 9 Ca 0.12 0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.89 2aqa n PRO 9 Cb 0.49 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2aqa n PRO 9 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2aqa n ASP 10 N -1.55 2.16 0.00 3.54 5.75 -1.26 -5.00 116.55 120.19 2aqa n ASP 10 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2aqa n ASP 10 Cb 0.17 1.45 0.00 0.00 -1.03 0.00 0.00 41.12 41.71 2aqa n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqa n GLY 11 N 1.87 1.64 3.76 6.12 0.00 -1.04 -5.11 105.19 112.44 2aqa n GLY 11 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.08 4.50 0.35 1.61 2.47 -1.26 -4.73 119.74 122.61 2aqa s LYS 12 Ca 0.00 1.07 -0.25 0.00 -1.56 0.00 0.00 55.97 55.23 2aqa s LYS 12 Cb 0.00 -3.31 -0.10 0.00 -1.46 0.00 0.00 37.83 32.96 2aqa s LYS 12 CO 0.00 0.43 0.98 1.03 0.16 0.00 0.00 175.35 177.95 2aqa s ARG 13 N -0.59 4.43 -0.25 4.03 0.52 -1.26 -0.46 118.95 125.37 2aqa s ARG 13 Ca 0.36 1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 56.93 2aqa s ARG 13 Cb -0.21 -2.68 0.10 0.00 0.52 0.00 0.00 34.95 32.68 2aqa s ARG 13 CO 0.24 0.12 0.19 0.42 0.02 0.00 0.00 175.30 176.29 2aqa s ILE 14 N -1.66 -0.23 -0.47 1.52 1.01 0.53 -4.93 121.20 116.97 2aqa s ILE 14 Ca 0.53 -0.42 -0.31 0.00 0.00 0.00 0.00 60.65 60.45 2aqa s ILE 14 Cb -0.19 -0.84 -0.11 0.00 0.01 0.00 0.00 42.46 41.33 2aqa s ILE 14 CO 0.25 -0.45 2.34 -1.22 0.00 0.00 0.00 174.94 175.86 2aqa n TYR 15 N 5.29 1.43 -1.86 3.97 4.01 -1.26 -1.25 117.16 127.49 2aqa n TYR 15 Ca -0.05 0.20 0.04 0.00 -0.16 0.00 0.00 57.90 57.93 2aqa n TYR 15 Cb 0.46 -2.56 0.07 0.00 -0.31 0.00 0.00 39.34 37.00 2aqa n TYR 15 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2aqa n THR 16 N 7.56 0.76 -0.22 -0.72 -2.24 -1.25 -4.86 114.28 113.31 2aqa n THR 16 Ca 0.42 -1.25 0.02 0.00 -2.27 0.00 0.00 64.05 60.97 2aqa n THR 16 Cb 0.32 0.35 0.14 0.00 -2.10 0.00 0.00 70.33 69.04 2aqa n THR 16 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2aqa h LEU 17 N 0.41 0.11 -9.74 3.22 7.12 -1.82 -3.41 115.31 111.19 2aqa h LEU 17 Ca -0.06 0.11 -0.53 0.00 0.13 0.00 0.00 57.88 57.53 2aqa h LEU 17 Cb 1.38 0.12 0.07 0.00 -0.53 0.00 0.00 40.66 41.71 2aqa h LEU 17 CO 0.03 0.05 0.96 -1.59 -0.13 0.00 0.00 178.44 177.75 2aqa s LYS 18 N -6.08 4.11 0.26 1.25 -2.85 -1.26 -4.90 119.74 110.27 2aqa s LYS 18 Ca -0.13 2.61 -0.31 0.00 -1.00 0.00 0.00 55.97 57.15 2aqa s LYS 18 Cb 0.19 -3.04 -0.12 0.00 -2.06 0.00 0.00 37.83 32.79 2aqa s LYS 18 CO 0.75 -0.70 1.54 1.17 0.10 0.00 0.00 175.35 178.21 2aqa n LYS 19 N 3.00 2.46 -2.90 1.78 3.00 -1.26 -4.94 118.16 119.30 2aqa n LYS 19 Ca 0.12 0.88 -0.42 0.00 -0.00 0.00 0.00 58.31 58.89 2aqa n LYS 19 Cb 0.36 -2.62 -0.04 0.00 0.00 0.00 0.00 35.03 32.73 2aqa n LYS 19 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2aqa s VAL 20 N 0.10 4.85 -0.20 3.15 1.01 -1.26 -4.91 120.40 123.14 2aqa s VAL 20 Ca 0.67 1.57 0.03 0.00 0.00 0.00 0.00 61.98 64.24 2aqa s VAL 20 Cb -0.55 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 31.57 2aqa s VAL 20 CO 0.47 -0.05 -0.16 0.41 0.00 0.00 0.00 175.10 175.77 2aqa n THR 21 N 5.16 1.18 -3.13 3.92 -1.04 -1.26 -4.97 114.28 114.14 2aqa n THR 21 Ca 0.05 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.05 61.19 2aqa n THR 21 Cb 0.48 -1.17 -0.06 0.00 -1.82 0.00 0.00 70.33 67.76 2aqa n THR 21 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2aqa s GLU 22 N -2.41 4.38 -0.23 -2.82 2.02 -1.26 -4.98 118.70 113.39 2aqa s GLU 22 Ca -0.26 0.90 0.10 0.00 0.02 0.00 0.00 54.97 55.73 2aqa s GLU 22 Cb 0.07 -3.30 0.44 0.00 0.10 0.00 0.00 34.13 31.44 2aqa s GLU 22 CO 0.50 0.48 1.21 0.45 0.02 0.00 0.00 175.26 177.92 2aqa n SER 23 N 2.18 2.86 0.00 -0.19 2.88 -1.26 -5.10 113.62 114.99 2aqa n SER 23 Ca -0.07 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.71 2aqa n SER 23 Cb 0.50 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.91 -1.21 3.62 0.46 0.00 -1.26 -4.82 105.19 101.06 2aqa n GLY 24 Ca 0.28 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 3.95 -0.12 1.61 2.12 -1.26 -5.09 118.70 119.90 2aqa s GLU 25 Ca 0.00 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 2aqa s GLU 25 Cb 0.00 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 2aqa s GLU 25 CO 0.00 0.20 -0.02 0.42 -0.54 0.00 0.00 175.26 175.32 2aqa s ILE 26 N 0.57 4.09 0.95 -3.70 1.09 -1.26 -5.10 121.20 117.85 2aqa s ILE 26 Ca 0.04 -0.31 -0.11 0.00 -1.10 0.00 0.00 60.65 59.17 2aqa s ILE 26 Cb -0.13 -2.76 0.13 0.00 -1.06 0.00 0.00 42.46 38.64 2aqa s ILE 26 CO 0.01 0.54 0.91 0.35 -0.10 0.00 0.00 174.94 176.66 2aqa n THR 27 N 2.87 0.00 -0.05 2.92 -2.24 -1.26 -4.96 114.28 111.56 2aqa n THR 27 Ca -0.18 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 2aqa n THR 27 Cb 0.53 -0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 67.72 2aqa n THR 27 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2aqa n LYS 28 N -3.59 0.65 -4.45 -0.78 4.81 -1.26 -4.87 118.16 108.68 2aqa n LYS 28 Ca 0.10 0.19 -0.31 0.00 -0.87 0.00 0.00 58.31 57.42 2aqa n LYS 28 Cb 0.53 -1.70 -0.16 0.00 0.02 0.00 0.00 35.03 33.72 2aqa n LYS 28 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2aqa s SER 29 N -5.92 2.91 -0.19 3.14 0.15 -1.26 -5.10 113.70 107.42 2aqa s SER 29 Ca -0.07 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 55.98 2aqa s SER 29 Cb 0.07 -1.34 0.06 0.00 -1.71 0.00 0.00 66.02 63.11 2aqa s SER 29 CO 0.82 0.04 0.06 0.00 1.20 0.00 0.00 173.24 175.36 2aqa s ALA 30 N 1.02 0.78 -0.76 5.45 0.00 -1.26 -4.91 121.76 122.07 2aqa s ALA 30 Ca -0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 2aqa s ALA 30 Cb -0.15 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2aqa s ALA 30 CO -0.05 -1.20 0.71 1.58 0.00 0.00 0.00 175.76 176.80 2aqa n HIS 31 N 5.14 -2.80 0.31 0.00 -0.00 -1.26 -4.90 115.22 111.71 2aqa n HIS 31 Ca -0.08 1.05 0.16 0.00 -0.00 0.00 0.00 57.72 58.86 2aqa n HIS 31 Cb 0.48 -4.03 0.67 0.00 -0.00 0.00 0.00 29.99 27.11 2aqa n HIS 31 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2aqa h PRO 32 N 0.21 0.00 -6.05 1.57 0.13 -2.02 -3.46 132.00 122.38 2aqa h PRO 32 Ca -0.09 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.62 2aqa h PRO 32 Cb 1.05 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.24 2aqa h PRO 32 CO 0.31 0.00 -0.77 0.00 -0.23 0.00 0.00 178.00 177.31 2aqa n ALA 33 N -2.02 -1.62 -1.76 -0.56 0.00 -1.26 -4.89 120.51 108.40 2aqa n ALA 33 Ca 0.01 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2aqa n ALA 33 Cb 0.28 -3.64 -0.02 0.00 0.00 0.00 0.00 19.45 16.07 2aqa n ALA 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2aqa s ARG 34 N -6.18 4.12 -0.02 0.00 3.52 -1.26 -5.01 118.95 114.12 2aqa s ARG 34 Ca 0.35 2.58 0.01 0.00 -0.13 0.00 0.00 55.73 58.55 2aqa s ARG 34 Cb -0.17 -3.03 0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2aqa s ARG 34 CO 0.79 -0.65 -0.04 -0.59 -0.81 0.00 0.00 175.30 173.99 2aqa s PHE 35 N 0.16 0.52 0.55 5.12 -0.71 -1.26 -5.09 117.98 117.26 2aqa s PHE 35 Ca 0.65 -0.10 0.00 0.00 -1.04 0.00 0.00 56.93 56.44 2aqa s PHE 35 Cb -0.48 -0.40 0.00 0.00 -1.21 0.00 0.00 43.02 40.92 2aqa s PHE 35 CO 0.46 -0.07 0.00 0.45 -1.34 0.00 0.00 175.22 174.72 2aqa n SER 36 N 3.37 -6.89 -0.08 1.98 2.88 -1.26 -4.67 113.62 108.95 2aqa n SER 36 Ca -0.18 1.28 -0.13 0.00 -1.33 0.00 0.00 58.87 58.51 2aqa n SER 36 Cb 0.55 -4.36 -0.05 0.00 -0.75 0.00 0.00 64.21 59.60 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 -1.25 0.59 -0.41 -1.46 0.13 -2.06 -3.47 132.00 124.08 2aqa h PRO 37 Ca -0.18 -0.31 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 2aqa h PRO 37 Cb 1.21 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2aqa h PRO 37 CO 0.07 0.91 -0.16 -3.47 -0.23 0.00 0.00 178.00 175.11 2aqa n ASP 38 N -4.36 -5.17 0.21 1.44 2.03 -1.26 -4.83 116.55 104.60 2aqa n ASP 38 Ca -0.05 0.22 0.09 0.00 0.52 0.00 0.00 54.79 55.57 2aqa n ASP 38 Cb 0.44 -3.44 0.32 0.00 -0.72 0.00 0.00 41.12 37.71 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 0.19 1.67 1.82 -1.96 -3.10 116.42 115.04 2aqa h ASP 39 Ca -0.18 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.11 2aqa h ASP 39 Cb 0.94 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.91 2aqa h ASP 39 CO 0.26 0.23 -2.05 0.29 -1.61 0.00 0.00 179.24 176.36 2aqa n LYS 40 N -3.26 0.70 0.27 0.28 4.76 -1.26 -4.11 118.16 115.54 2aqa n LYS 40 Ca 0.01 0.22 0.12 0.00 -2.87 0.00 0.00 58.31 55.80 2aqa n LYS 40 Cb 0.51 -1.68 0.78 0.00 -1.84 0.00 0.00 35.03 32.80 2aqa n LYS 40 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2aqa h TYR 41 N 0.03 0.00 -3.69 2.13 -1.99 -1.96 -3.43 116.97 108.07 2aqa h TYR 41 Ca -0.43 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 59.78 2aqa h TYR 41 Cb 2.03 0.00 0.05 0.00 2.00 0.00 0.00 36.73 40.81 2aqa h TYR 41 CO 0.04 0.05 0.65 -1.54 -0.00 0.00 0.00 178.16 177.37 2aqa s SER 42 N -6.41 6.81 0.19 3.88 1.04 -1.17 -4.93 113.70 113.11 2aqa s SER 42 Ca -0.04 2.60 0.15 0.00 0.48 0.00 0.00 55.95 59.14 2aqa s SER 42 Cb 0.15 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 2aqa s SER 42 CO 0.59 -0.54 1.21 0.08 0.98 0.00 0.00 173.24 175.57 2aqa h ARG 43 N 4.08 0.00 -0.57 4.02 0.11 -1.92 -3.30 114.38 116.81 2aqa h ARG 43 Ca -0.47 0.00 0.17 0.00 0.10 0.00 0.00 59.98 59.77 2aqa h ARG 43 Cb 1.22 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 2aqa h ARG 43 CO 0.70 0.45 0.45 -0.56 0.10 0.00 0.00 179.97 181.11 2aqa h GLN 44 N 0.00 0.00 0.00 0.08 -0.00 -1.95 0.24 115.11 113.48 2aqa h GLN 44 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2aqa h GLN 44 Cb 1.47 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.95 2aqa h GLN 44 CO 0.06 0.00 -0.06 -0.09 -0.00 0.00 0.00 178.83 178.74 2aqa h ARG 45 N 0.00 0.00 0.02 0.06 9.65 -1.88 -2.40 114.38 119.82 2aqa h ARG 45 Ca 0.27 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.91 2aqa h ARG 45 Cb 1.17 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.77 2aqa h ARG 45 CO -0.00 0.06 -0.94 0.28 2.80 0.00 0.00 179.97 182.17 2aqa h VAL 46 N 0.00 1.32 -3.15 0.20 2.07 -0.76 -3.46 116.25 112.48 2aqa h VAL 46 Ca -0.00 -2.23 -0.40 0.00 0.82 0.00 0.00 66.70 64.89 2aqa h VAL 46 Cb 0.11 2.49 0.21 0.00 -1.52 0.00 0.00 31.29 32.59 2aqa h VAL 46 CO 0.01 0.68 -0.06 0.42 0.02 0.00 0.00 177.57 178.64 2aqa s THR 47 N -3.23 1.42 -0.29 2.57 -4.23 -0.90 -5.07 115.64 105.91 2aqa s THR 47 Ca -0.11 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 2aqa s THR 47 Cb 0.06 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.90 2aqa s THR 47 CO 0.89 0.00 0.98 -1.48 -0.54 0.00 0.00 174.62 174.47 2aqa s LEU 48 N -7.59 -0.51 -0.12 4.79 0.05 -1.26 -5.02 118.68 109.02 2aqa s LEU 48 Ca 0.69 0.85 -0.29 0.00 0.05 0.00 0.00 54.13 55.43 2aqa s LEU 48 Cb -0.15 1.80 -0.01 0.00 -2.05 0.00 0.00 46.19 45.77 2aqa s LEU 48 CO 0.59 -0.14 0.99 -0.75 -0.55 0.00 0.00 176.35 176.49 2aqa s LYS 49 N 1.09 4.40 -0.20 1.48 2.47 -1.26 -5.03 119.74 122.70 2aqa s LYS 49 Ca -0.06 1.35 -0.00 0.00 -1.56 0.00 0.00 55.97 55.69 2aqa s LYS 49 Cb -0.04 -3.55 0.05 0.00 -1.46 0.00 0.00 37.83 32.83 2aqa s LYS 49 CO -0.13 -0.34 -0.04 0.15 0.16 0.00 0.00 175.35 175.16 2aqa s LYS 50 N 2.10 1.36 0.05 4.03 -0.14 -1.26 -5.12 119.74 120.76 2aqa s LYS 50 Ca 0.47 -0.70 0.04 0.00 -1.36 0.00 0.00 55.97 54.42 2aqa s LYS 50 Cb -0.18 -2.29 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 2aqa s LYS 50 CO 0.17 -0.55 -0.12 0.50 -0.76 0.00 0.00 175.35 174.59 2aqa s ARG 51 N 1.58 0.73 -0.21 1.68 6.06 -1.26 -5.07 118.95 122.45 2aqa s ARG 51 Ca -0.02 -0.84 -0.16 0.00 -2.50 0.00 0.00 55.73 52.21 2aqa s ARG 51 Cb -0.17 -0.66 -0.09 0.00 0.06 0.00 0.00 34.95 34.08 2aqa s ARG 51 CO -0.07 0.15 -0.25 1.19 -2.50 0.00 0.00 175.30 173.81 2aqa n PHE 52 N 1.48 0.28 0.00 5.12 3.72 -1.26 -5.00 117.46 121.81 2aqa n PHE 52 Ca -0.21 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2aqa n PHE 52 Cb 0.54 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 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 1.41 2.15 3.58 1.37 0.00 -1.26 -4.95 105.19 107.50 2aqa n GLY 53 Ca -0.29 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2aqa n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqa s LEU 54 N 0.00 3.52 -0.07 0.99 2.96 -1.26 -5.10 118.68 119.72 2aqa s LEU 54 Ca 0.00 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 2aqa s LEU 54 Cb 0.00 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 2aqa s LEU 54 CO 0.00 0.21 -0.22 0.54 -1.32 0.00 0.00 176.35 175.57 2aqa s VAL 55 N 0.11 1.82 0.06 1.68 0.11 -1.26 -5.11 120.40 117.81 2aqa s VAL 55 Ca 0.02 -0.91 -0.31 0.00 -2.93 0.00 0.00 61.98 57.85 2aqa s VAL 55 Cb -0.13 -1.56 -0.07 0.00 -1.53 0.00 0.00 36.38 33.09 2aqa s VAL 55 CO 0.02 0.51 1.40 -2.16 -3.33 0.00 0.00 175.10 171.54 2aqa s PRO 56 N 0.11 4.30 0.00 1.54 0.04 -1.26 -5.03 135.00 134.71 2aqa s PRO 56 Ca -0.09 2.03 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2aqa s PRO 56 Cb -0.15 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2aqa s PRO 56 CO 0.05 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2aqa n GLY 57 N 3.57 1.50 0.36 0.56 0.00 -1.26 -5.32 105.19 104.59 2aqa n GLY 57 Ca 0.12 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.36 2aqa n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93