#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 2.87 -0.29 0.27 1.43 -1.26 -5.04 118.68 116.67 2aqa s LEU 3 Ca 0.00 -0.92 0.11 0.00 -1.03 0.00 0.00 54.13 52.29 2aqa s LEU 3 Cb 0.00 -1.33 0.66 0.00 0.03 0.00 0.00 46.19 45.55 2aqa s LEU 3 CO 0.00 -0.06 1.66 0.23 0.23 0.00 0.00 176.35 178.41 2aqa n MET 4 N -0.80 3.23 -3.64 1.70 2.81 -1.26 -4.91 117.12 114.26 2aqa n MET 4 Ca -0.05 -3.05 -0.04 0.00 -1.81 0.00 0.00 57.70 52.74 2aqa n MET 4 Cb 0.61 -2.07 -0.07 0.00 -0.71 0.00 0.00 33.22 30.98 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 -0.80 0.30 2.03 1.13 -1.26 -2.88 117.35 112.86 2aqa s TYR 5 Ca 0.50 1.59 -0.15 0.00 -1.41 0.00 0.00 57.07 57.61 2aqa s TYR 5 Cb 0.41 0.48 -0.09 0.00 -1.10 0.00 0.00 41.96 41.66 2aqa s TYR 5 CO 0.10 -0.40 0.71 0.95 -2.51 0.00 0.00 175.55 174.41 2aqa s THR 6 N 1.51 4.69 0.11 -3.49 -4.23 -1.19 -4.81 115.64 108.23 2aqa s THR 6 Ca -0.09 0.94 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 2aqa s THR 6 Cb -0.04 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2aqa s THR 6 CO -0.17 -0.12 0.26 -0.76 -0.54 0.00 0.00 174.62 173.28 2aqa s LEU 7 N -2.83 4.34 0.74 4.79 1.43 -1.26 -1.96 118.68 123.93 2aqa s LEU 7 Ca 0.52 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2aqa s LEU 7 Cb -0.11 -2.97 0.14 0.00 0.03 0.00 0.00 46.19 43.28 2aqa s LEU 7 CO 0.18 0.11 1.02 -0.83 0.23 0.00 0.00 176.35 177.05 2aqa s GLY 8 N -2.82 1.74 0.00 -3.19 0.00 -0.28 -4.95 107.32 97.82 2aqa s GLY 8 Ca 0.35 -1.89 0.14 0.00 0.00 0.00 0.00 44.72 43.32 2aqa s GLY 8 CO 0.28 -1.27 1.44 -1.55 0.00 0.00 0.00 173.10 172.00 2aqa n PRO 9 N -2.86 0.07 -0.01 2.90 -0.04 -1.26 -2.18 135.00 131.62 2aqa n PRO 9 Ca 0.17 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 2aqa n PRO 9 Cb 0.61 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.43 0.42 0.00 3.54 5.75 -1.26 -4.98 116.55 118.59 2aqa n ASP 10 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2aqa n ASP 10 Cb 0.15 1.91 0.00 0.00 -1.03 0.00 0.00 41.12 42.15 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 1.36 0.93 3.86 6.12 0.00 -0.93 -5.11 105.19 111.43 2aqa n GLY 11 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 2.95 0.03 1.61 -0.14 -1.26 -4.75 119.74 117.70 2aqa s LYS 12 Ca 0.00 0.65 0.04 0.00 -1.36 0.00 0.00 55.97 55.31 2aqa s LYS 12 Cb 0.00 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.10 2aqa s LYS 12 CO 0.00 -1.01 -0.07 -0.98 -0.76 0.00 0.00 175.35 172.52 2aqa s ARG 13 N -5.22 2.45 -0.26 1.68 3.03 -1.26 -1.13 118.95 118.24 2aqa s ARG 13 Ca 0.58 -0.80 -0.03 0.00 2.03 0.00 0.00 55.73 57.51 2aqa s ARG 13 Cb -0.12 -2.45 0.10 0.00 -1.03 0.00 0.00 34.95 31.45 2aqa s ARG 13 CO 0.53 0.58 0.19 0.42 -1.13 0.00 0.00 175.30 175.89 2aqa s ILE 14 N -1.05 -0.21 -0.44 4.99 1.01 -0.83 -4.98 121.20 119.68 2aqa s ILE 14 Ca 0.18 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 60.03 2aqa s ILE 14 Cb -0.11 -0.87 -0.12 0.00 0.01 0.00 0.00 42.46 41.38 2aqa s ILE 14 CO 0.09 -0.49 2.29 -1.22 0.00 0.00 0.00 174.94 175.61 2aqa n TYR 15 N 5.28 1.46 -2.36 3.97 4.02 -1.26 -3.16 117.16 125.11 2aqa n TYR 15 Ca -0.05 0.24 0.04 0.00 -0.01 0.00 0.00 57.90 58.12 2aqa n TYR 15 Cb 0.46 -2.54 0.03 0.00 -0.02 0.00 0.00 39.34 37.27 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 7.40 0.19 -1.57 -0.72 5.66 -1.24 -4.98 114.28 119.02 2aqa n THR 16 Ca 0.43 -1.08 -0.52 0.00 -3.05 0.00 0.00 64.05 59.83 2aqa n THR 16 Cb 0.27 0.83 -0.07 0.00 -1.55 0.00 0.00 70.33 69.82 2aqa n THR 16 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2aqa n LEU 17 N 0.29 2.50 -4.51 1.09 7.94 -1.14 -4.77 117.00 118.40 2aqa n LEU 17 Ca 0.06 0.72 -0.43 0.00 -1.11 0.00 0.00 56.01 55.25 2aqa n LEU 17 Cb 1.06 -1.25 -0.06 0.00 0.53 0.00 0.00 43.42 43.69 2aqa n LEU 17 CO -0.03 -0.50 1.96 2.29 -1.11 0.00 0.00 177.39 179.99 2aqa n LYS 18 N 7.09 1.02 -1.68 1.96 2.85 -1.26 -4.86 118.16 123.28 2aqa n LYS 18 Ca 0.33 0.18 -0.45 0.00 -1.05 0.00 0.00 58.31 57.32 2aqa n LYS 18 Cb 0.22 -2.76 -0.03 0.00 -0.65 0.00 0.00 35.03 31.80 2aqa n LYS 18 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2aqa n LYS 19 N 8.61 2.21 -3.97 -1.58 4.81 -1.26 -4.99 118.16 121.98 2aqa n LYS 19 Ca 0.42 0.79 -0.11 0.00 -0.87 0.00 0.00 58.31 58.54 2aqa n LYS 19 Cb 0.34 -2.53 -0.12 0.00 0.02 0.00 0.00 35.03 32.74 2aqa n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2aqa s VAL 20 N 0.49 0.16 0.22 3.15 0.11 -1.26 -5.17 120.40 118.11 2aqa s VAL 20 Ca 0.73 -0.54 0.08 0.00 -2.93 0.00 0.00 61.98 59.32 2aqa s VAL 20 Cb -0.64 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 2aqa s VAL 20 CO 0.43 -0.24 -0.15 0.28 -3.33 0.00 0.00 175.10 172.09 2aqa s THR 21 N -0.80 1.87 0.13 5.04 -1.32 -1.26 -5.10 115.64 114.20 2aqa s THR 21 Ca -0.08 -2.24 -0.31 0.00 -1.21 0.00 0.00 61.69 57.85 2aqa s THR 21 Cb -0.06 -2.13 -0.10 0.00 -1.51 0.00 0.00 72.50 68.71 2aqa s THR 21 CO -0.00 -0.54 1.64 -1.61 -2.21 0.00 0.00 174.62 171.90 2aqa s GLU 22 N -3.63 4.19 0.04 7.08 2.02 -1.26 -4.92 118.70 122.23 2aqa s GLU 22 Ca 0.24 2.40 -0.22 0.00 0.02 0.00 0.00 54.97 57.41 2aqa s GLU 22 Cb -0.01 -3.36 -0.14 0.00 0.10 0.00 0.00 34.13 30.72 2aqa s GLU 22 CO 0.09 -0.69 1.46 0.77 0.02 0.00 0.00 175.26 176.90 2aqa h SER 23 N 7.57 0.20 0.00 -0.19 0.02 -2.07 -3.47 113.55 115.60 2aqa h SER 23 Ca -0.43 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 2aqa h SER 23 Cb 1.20 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2aqa h SER 23 CO 0.93 0.48 0.00 0.61 -1.14 0.00 0.00 176.83 177.70 2aqa n GLY 24 N -0.23 0.00 3.56 -3.77 0.00 -1.26 -5.14 105.19 98.35 2aqa n GLY 24 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 3.83 0.03 1.61 -6.30 -1.26 -5.08 118.70 111.53 2aqa s GLU 25 Ca 0.00 -0.40 0.04 0.00 -2.50 0.00 0.00 54.97 52.11 2aqa s GLU 25 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 34.13 30.44 2aqa s GLU 25 CO 0.00 -0.23 -0.05 -1.50 0.02 0.00 0.00 175.26 173.50 2aqa s ILE 26 N 1.74 3.74 -0.07 -3.70 2.07 -1.26 -5.12 121.20 118.60 2aqa s ILE 26 Ca 0.07 -0.85 0.04 0.00 -1.41 0.00 0.00 60.65 58.50 2aqa s ILE 26 Cb -0.16 -2.68 0.00 0.00 0.13 0.00 0.00 42.46 39.75 2aqa s ILE 26 CO 0.10 0.31 -0.19 0.42 -1.91 0.00 0.00 174.94 173.67 2aqa s THR 27 N -1.09 1.63 -0.13 4.00 -4.23 -1.26 -5.12 115.64 109.45 2aqa s THR 27 Ca 0.19 -0.79 -0.20 0.00 -1.18 0.00 0.00 61.69 59.72 2aqa s THR 27 Cb -0.11 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2aqa s THR 27 CO 0.10 0.46 0.54 -0.54 -0.54 0.00 0.00 174.62 174.65 2aqa s LYS 28 N 0.31 4.33 -0.44 3.99 3.01 -1.26 -5.04 119.74 124.64 2aqa s LYS 28 Ca -0.12 0.55 -0.18 0.00 -1.01 0.00 0.00 55.97 55.20 2aqa s LYS 28 Cb -0.15 -3.47 0.03 0.00 -1.01 0.00 0.00 37.83 33.23 2aqa s LYS 28 CO 0.05 0.06 0.51 -1.54 0.51 0.00 0.00 175.35 174.94 2aqa s SER 29 N 0.79 6.22 0.06 2.83 1.04 -1.26 -5.04 113.70 118.35 2aqa s SER 29 Ca 0.28 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2aqa s SER 29 Cb -0.16 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 2aqa s SER 29 CO 0.12 -0.68 -0.06 0.00 0.98 0.00 0.00 173.24 173.60 2aqa s ALA 30 N 2.34 0.68 0.23 5.32 0.00 -1.26 -5.17 121.76 123.89 2aqa s ALA 30 Ca 0.14 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.12 2aqa s ALA 30 Cb -0.17 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2aqa s ALA 30 CO 0.14 -0.19 -0.05 -3.38 0.00 0.00 0.00 175.76 172.28 2aqa s HIS 31 N -2.81 2.66 0.80 0.00 -3.43 -1.26 -5.13 115.29 106.13 2aqa s HIS 31 Ca 0.02 -0.22 -0.11 0.00 -0.80 0.00 0.00 55.06 53.95 2aqa s HIS 31 Cb -0.00 -1.24 0.08 0.00 -1.43 0.00 0.00 32.58 29.99 2aqa s HIS 31 CO -0.04 0.58 1.09 -1.25 -2.00 0.00 0.00 174.74 173.12 2aqa s PRO 32 N -3.27 2.00 0.29 -0.38 0.04 -1.26 -5.07 135.00 127.35 2aqa s PRO 32 Ca 0.28 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2aqa s PRO 32 Cb -0.07 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.64 2aqa s PRO 32 CO 0.18 -1.80 0.71 0.00 0.04 0.00 0.00 177.00 176.13 2aqa n ALA 33 N -3.62 -1.67 -3.63 8.56 0.00 -1.26 -5.19 120.51 113.71 2aqa n ALA 33 Ca 0.09 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.47 2aqa n ALA 33 Cb 0.54 0.75 -0.05 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.07 0.22 -0.11 0.00 3.52 -1.26 -5.18 118.95 114.08 2aqa s ARG 34 Ca 0.15 0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.64 2aqa s ARG 34 Cb -0.04 0.11 0.05 0.00 -1.56 0.00 0.00 34.95 33.51 2aqa s ARG 34 CO 0.09 -0.06 0.52 -0.59 -0.81 0.00 0.00 175.30 174.45 2aqa s PHE 35 N -0.70 -0.50 0.55 5.12 -0.71 -1.26 -5.17 117.98 115.30 2aqa s PHE 35 Ca 0.06 1.04 -0.08 0.00 -1.04 0.00 0.00 56.93 56.91 2aqa s PHE 35 Cb -0.02 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 2aqa s PHE 35 CO -0.07 -0.41 0.89 0.45 -1.34 0.00 0.00 175.22 174.74 2aqa s SER 36 N -0.59 6.19 0.03 1.98 0.15 -1.26 -5.02 113.70 115.19 2aqa s SER 36 Ca -0.07 1.11 -0.21 0.00 0.70 0.00 0.00 55.95 57.47 2aqa s SER 36 Cb -0.03 -2.29 -0.15 0.00 -1.71 0.00 0.00 66.02 61.83 2aqa s SER 36 CO 0.04 -0.73 1.33 1.55 1.20 0.00 0.00 173.24 176.63 2aqa h PRO 37 N -0.02 0.29 -4.05 5.44 0.13 -2.04 -3.47 132.00 128.28 2aqa h PRO 37 Ca -0.46 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 64.39 2aqa h PRO 37 Cb 1.20 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2aqa h PRO 37 CO 0.62 0.69 -0.37 0.34 -0.23 0.00 0.00 178.00 179.05 2aqa s ASP 38 N -6.05 0.06 0.24 1.44 2.15 -1.26 -5.05 116.67 108.21 2aqa s ASP 38 Ca -0.14 -1.04 0.19 0.00 0.43 0.00 0.00 52.55 51.99 2aqa s ASP 38 Cb 0.05 0.45 0.06 0.00 -0.30 0.00 0.00 42.92 43.17 2aqa s ASP 38 CO 0.74 -0.92 1.23 0.44 -0.17 0.00 0.00 175.17 176.48 2aqa h ASP 39 N 2.52 0.00 0.43 -0.34 5.19 -2.02 -3.24 116.42 118.97 2aqa h ASP 39 Ca -0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2aqa h ASP 39 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2aqa h ASP 39 CO 0.47 0.29 0.00 1.17 -3.12 0.00 0.00 179.24 178.05 2aqa n LYS 40 N -2.98 0.46 -0.14 3.56 3.00 -1.26 -3.63 118.16 117.17 2aqa n LYS 40 Ca -0.01 0.03 0.26 0.00 -0.00 0.00 0.00 58.31 58.59 2aqa n LYS 40 Cb 0.67 -1.50 0.71 0.00 0.00 0.00 0.00 35.03 34.91 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 0.02 -1.96 5.64 -0.00 -1.99 -3.42 116.97 115.27 2aqa h TYR 41 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 58.73 58.10 2aqa h TYR 41 Cb 0.22 -0.01 0.05 0.00 -0.00 0.00 0.00 36.73 36.99 2aqa h TYR 41 CO 0.00 0.01 0.68 0.45 -0.00 0.00 0.00 178.16 179.29 2aqa n SER 42 N -4.30 2.46 0.05 0.10 2.88 -1.24 -4.85 113.62 108.72 2aqa n SER 42 Ca 0.17 1.09 0.13 0.00 -1.33 0.00 0.00 58.87 58.93 2aqa n SER 42 Cb 0.88 -1.31 0.38 0.00 -0.75 0.00 0.00 64.21 63.41 2aqa n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2aqa n ARG 43 N 3.38 0.17 0.23 -1.46 1.74 -1.26 -3.66 116.66 115.80 2aqa n ARG 43 Ca 0.19 0.10 0.18 0.00 -0.77 0.00 0.00 57.85 57.54 2aqa n ARG 43 Cb 0.24 -1.66 0.87 0.00 -1.02 0.00 0.00 32.46 30.89 2aqa n ARG 43 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 2aqa h GLN 44 N 0.00 0.00 -0.39 5.56 3.07 -1.94 -0.69 115.11 120.72 2aqa h GLN 44 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.85 2aqa h GLN 44 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.19 2aqa h GLN 44 CO 0.00 0.00 0.37 -0.09 0.09 0.00 0.00 178.83 179.20 2aqa h ARG 45 N 0.00 0.00 -1.00 0.06 1.12 -1.93 -0.99 114.38 111.65 2aqa h ARG 45 Ca 0.07 0.00 0.19 0.00 -1.11 0.00 0.00 59.98 59.13 2aqa h ARG 45 Cb 0.47 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.33 2aqa h ARG 45 CO -0.00 0.00 0.61 0.28 -3.11 0.00 0.00 179.97 177.75 2aqa h VAL 46 N 0.00 0.71 -2.29 0.20 2.07 -1.42 -3.43 116.25 112.09 2aqa h VAL 46 Ca 0.18 -0.25 -0.46 0.00 0.82 0.00 0.00 66.70 66.99 2aqa h VAL 46 Cb 0.92 -0.08 0.24 0.00 -1.52 0.00 0.00 31.29 30.84 2aqa h VAL 46 CO -0.00 0.13 -1.15 1.07 0.02 0.00 0.00 177.57 177.64 2aqa n THR 47 N -4.73 0.00 -3.49 2.57 5.66 -0.38 -3.42 114.28 110.49 2aqa n THR 47 Ca 0.23 -0.28 -0.25 0.00 -3.05 0.00 0.00 64.05 60.70 2aqa n THR 47 Cb 0.59 -0.58 0.05 0.00 -1.55 0.00 0.00 70.33 68.84 2aqa n THR 47 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2aqa n LEU 48 N -1.41 -2.82 -4.95 1.09 4.77 -1.26 -4.98 117.00 107.44 2aqa n LEU 48 Ca 0.01 -0.51 -0.25 0.00 -0.03 0.00 0.00 56.01 55.22 2aqa n LEU 48 Cb 0.63 -2.82 0.09 0.00 -2.33 0.00 0.00 43.42 38.99 2aqa n LEU 48 CO 0.52 0.45 0.62 -1.59 -1.33 0.00 0.00 177.39 176.05 2aqa s LYS 49 N -6.20 1.84 -0.24 3.23 -2.85 -1.22 -5.09 119.74 109.21 2aqa s LYS 49 Ca 0.51 -0.56 -0.01 0.00 -1.00 0.00 0.00 55.97 54.91 2aqa s LYS 49 Cb -0.24 -2.19 0.07 0.00 -2.06 0.00 0.00 37.83 33.41 2aqa s LYS 49 CO 0.63 -1.44 0.03 -1.59 0.10 0.00 0.00 175.35 173.09 2aqa s LYS 50 N -5.28 0.89 -0.10 1.78 0.00 -1.26 -5.11 119.74 110.65 2aqa s LYS 50 Ca 0.64 -0.75 -0.16 0.00 0.00 0.00 0.00 55.97 55.70 2aqa s LYS 50 Cb -0.08 -2.19 0.04 0.00 0.00 0.00 0.00 37.83 35.60 2aqa s LYS 50 CO 0.45 -0.74 0.40 0.50 0.00 0.00 0.00 175.35 175.96 2aqa s ARG 51 N 1.68 0.58 -0.26 1.78 3.52 -1.26 -5.14 118.95 119.85 2aqa s ARG 51 Ca 0.01 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.93 2aqa s ARG 51 Cb -0.18 0.27 0.07 0.00 -1.56 0.00 0.00 34.95 33.55 2aqa s ARG 51 CO -0.13 -0.12 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.14 2aqa s PHE 52 N -0.37 2.69 -0.05 5.12 0.40 -1.26 -4.91 117.98 119.60 2aqa s PHE 52 Ca -0.05 -2.01 0.02 0.00 -0.60 0.00 0.00 56.93 54.28 2aqa s PHE 52 Cb -0.03 -1.81 0.06 0.00 0.51 0.00 0.00 43.02 41.75 2aqa s PHE 52 CO 0.02 -0.82 0.83 0.41 0.70 0.00 0.00 175.22 176.36 2aqa n GLY 53 N 4.58 0.42 0.14 4.36 0.00 -1.26 -4.96 105.19 108.48 2aqa n GLY 53 Ca -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.91 2aqa n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aqa h LEU 54 N 0.16 0.00 -2.43 0.99 6.46 -2.08 -3.48 115.31 114.92 2aqa h LEU 54 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2aqa h LEU 54 Cb 1.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2aqa h LEU 54 CO -0.19 0.57 -0.05 0.52 -0.62 0.00 0.00 178.44 178.66 2aqa n VAL 55 N -3.36 -9.30 -2.05 1.05 0.31 -1.26 -4.87 118.33 98.85 2aqa n VAL 55 Ca 0.01 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 2aqa n VAL 55 Cb 0.70 -6.61 -0.03 0.00 -0.91 0.00 0.00 33.84 27.00 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 -2.93 2.77 0.00 5.55 0.04 -1.26 -4.89 135.00 134.28 2aqa s PRO 56 Ca 0.03 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2aqa s PRO 56 Cb -0.01 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2aqa s PRO 56 CO 0.67 -2.56 0.00 0.41 0.04 0.00 0.00 177.00 175.56 2aqa n GLY 57 N 5.63 5.45 0.00 0.56 0.00 -1.26 -5.29 105.19 110.29 2aqa n GLY 57 Ca 0.21 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 45.13 2aqa n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26