#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 2.15 -0.35 2.39 1.43 -1.26 -4.95 118.68 118.09 2aqa s LEU 3 Ca 0.00 1.56 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 2aqa s LEU 3 Cb 0.00 -3.92 0.71 0.00 0.03 0.00 0.00 46.19 43.01 2aqa s LEU 3 CO 0.00 -2.87 1.81 0.23 0.23 0.00 0.00 176.35 175.75 2aqa n MET 4 N -4.04 3.18 -3.64 1.70 2.81 -1.26 -4.89 117.12 110.97 2aqa n MET 4 Ca 0.07 -3.07 -0.07 0.00 -1.81 0.00 0.00 57.70 52.82 2aqa n MET 4 Cb 0.55 -2.17 -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 -3.10 -0.72 0.55 2.03 1.13 -1.26 -3.60 117.35 112.38 2aqa s TYR 5 Ca 0.55 1.54 -0.07 0.00 -1.41 0.00 0.00 57.07 57.68 2aqa s TYR 5 Cb 0.45 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.70 2aqa s TYR 5 CO 0.12 -0.35 0.88 0.95 -2.51 0.00 0.00 175.55 174.63 2aqa s THR 6 N 1.02 4.54 0.32 -3.49 -4.23 -0.83 -4.78 115.64 108.19 2aqa s THR 6 Ca -0.05 0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 2aqa s THR 6 Cb -0.05 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2aqa s THR 6 CO -0.12 -0.83 0.23 -0.76 -0.54 0.00 0.00 174.62 172.60 2aqa s LEU 7 N -4.92 3.52 0.00 4.79 1.43 -1.26 -0.08 118.68 122.16 2aqa s LEU 7 Ca 0.51 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2aqa s LEU 7 Cb -0.11 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2aqa s LEU 7 CO 0.47 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2aqa n GLY 8 N -1.27 2.07 0.27 -3.19 0.00 0.37 -4.88 105.19 98.56 2aqa n GLY 8 Ca -0.03 -2.12 0.15 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 0.00 1.61 0.13 -2.01 -3.08 132.00 128.65 2aqa h PRO 9 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2aqa h PRO 9 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2aqa h PRO 9 CO 0.00 0.07 -1.62 -3.47 -0.23 0.00 0.00 178.00 172.75 2aqa n ASP 10 N -3.21 1.98 0.00 1.44 2.03 -1.26 -4.99 116.55 112.54 2aqa n ASP 10 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2aqa n ASP 10 Cb 0.32 1.55 0.00 0.00 -0.72 0.00 0.00 41.12 42.28 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 1.78 1.66 3.71 0.27 0.00 -1.16 -5.11 105.19 106.34 2aqa n GLY 11 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2aqa n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aqa s LYS 12 N 0.00 4.50 0.50 1.61 -2.85 -1.26 -4.60 119.74 117.63 2aqa s LYS 12 Ca 0.00 1.55 -0.21 0.00 -1.00 0.00 0.00 55.97 56.31 2aqa s LYS 12 Cb 0.00 -3.43 -0.07 0.00 -2.06 0.00 0.00 37.83 32.27 2aqa s LYS 12 CO 0.00 -0.15 1.11 -0.98 0.10 0.00 0.00 175.35 175.43 2aqa s ARG 13 N 1.12 3.63 -0.27 1.78 1.70 -1.26 -0.48 118.95 125.17 2aqa s ARG 13 Ca 0.54 1.57 -0.01 0.00 -0.47 0.00 0.00 55.73 57.36 2aqa s ARG 13 Cb -0.24 -2.16 0.14 0.00 -0.57 0.00 0.00 34.95 32.12 2aqa s ARG 13 CO 0.28 -0.61 0.33 0.42 -1.08 0.00 0.00 175.30 174.63 2aqa s ILE 14 N -1.77 -0.48 -0.58 4.99 1.01 0.89 -4.91 121.20 120.34 2aqa s ILE 14 Ca 0.68 -0.32 -0.31 0.00 0.00 0.00 0.00 60.65 60.71 2aqa s ILE 14 Cb -0.23 -0.92 -0.13 0.00 0.01 0.00 0.00 42.46 41.20 2aqa s ILE 14 CO 0.27 -0.33 2.42 -1.22 0.00 0.00 0.00 174.94 176.08 2aqa n TYR 15 N 5.33 1.26 -1.96 3.97 4.01 -1.26 -1.96 117.16 126.54 2aqa n TYR 15 Ca -0.02 0.24 0.02 0.00 -0.16 0.00 0.00 57.90 57.98 2aqa n TYR 15 Cb 0.48 -2.53 0.03 0.00 -0.31 0.00 0.00 39.34 37.01 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 7.59 0.32 -0.35 -0.72 -2.24 -1.26 -4.87 114.28 112.76 2aqa n THR 16 Ca 0.46 -0.60 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 2aqa n THR 16 Cb 0.30 0.47 0.33 0.00 -2.10 0.00 0.00 70.33 69.33 2aqa n THR 16 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2aqa h LEU 17 N 0.23 0.77 -9.73 3.22 8.10 -1.84 -3.41 115.31 112.64 2aqa h LEU 17 Ca -0.04 0.09 -0.54 0.00 0.11 0.00 0.00 57.88 57.50 2aqa h LEU 17 Cb 1.43 -0.05 0.08 0.00 -0.44 0.00 0.00 40.66 41.68 2aqa h LEU 17 CO 0.02 0.29 0.87 1.17 -4.11 0.00 0.00 178.44 176.67 2aqa n LYS 18 N -4.73 2.61 -1.71 0.17 4.81 -1.26 -4.89 118.16 113.15 2aqa n LYS 18 Ca 0.23 0.93 -0.42 0.00 -0.87 0.00 0.00 58.31 58.18 2aqa n LYS 18 Cb 0.57 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.88 2aqa n LYS 18 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2aqa s LYS 19 N -0.16 4.12 0.03 1.64 1.02 -1.26 -5.00 119.74 120.14 2aqa s LYS 19 Ca 0.67 2.62 0.07 0.00 0.02 0.00 0.00 55.97 59.35 2aqa s LYS 19 Cb -0.52 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 2aqa s LYS 19 CO 0.45 -0.79 -0.20 0.54 -0.92 0.00 0.00 175.35 174.44 2aqa s VAL 20 N 1.64 2.65 0.22 3.17 0.11 -1.26 -5.14 120.40 121.79 2aqa s VAL 20 Ca 0.77 -1.18 0.06 0.00 -2.93 0.00 0.00 61.98 58.70 2aqa s VAL 20 Cb -0.49 -2.08 -0.05 0.00 -1.53 0.00 0.00 36.38 32.23 2aqa s VAL 20 CO 0.33 0.38 -0.09 0.28 -3.33 0.00 0.00 175.10 172.67 2aqa s THR 21 N -0.87 1.53 -0.31 5.04 -1.32 -1.26 -5.04 115.64 113.41 2aqa s THR 21 Ca 0.14 -2.14 0.10 0.00 -1.21 0.00 0.00 61.69 58.58 2aqa s THR 21 Cb -0.10 -2.19 0.71 0.00 -1.51 0.00 0.00 72.50 69.40 2aqa s THR 21 CO 0.04 -0.48 1.75 -0.62 -2.21 0.00 0.00 174.62 173.09 2aqa n GLU 22 N -0.43 3.45 -2.35 7.08 4.71 -1.26 -4.90 120.64 126.94 2aqa n GLU 22 Ca -0.07 -3.08 -0.13 0.00 -0.01 0.00 0.00 57.16 53.87 2aqa n GLU 22 Cb 0.62 -2.15 -0.01 0.00 -1.01 0.00 0.00 31.44 28.89 2aqa n GLU 22 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2aqa n SER 23 N -0.31 -4.11 -3.64 1.62 2.88 -1.26 -0.92 113.62 107.89 2aqa n SER 23 Ca 0.39 0.18 -0.25 0.00 -1.33 0.00 0.00 58.87 57.87 2aqa n SER 23 Cb 1.32 -3.50 0.07 0.00 -0.75 0.00 0.00 64.21 61.35 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 -0.78 -0.54 3.84 0.46 0.00 -1.26 -4.98 105.19 101.93 2aqa n GLY 24 Ca -0.16 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.33 3.86 0.38 1.61 2.56 -0.09 -5.04 118.70 115.64 2aqa s GLU 25 Ca 0.58 0.34 -0.26 0.00 0.00 0.00 0.00 54.97 55.63 2aqa s GLU 25 Cb -0.26 -3.18 -0.12 0.00 2.00 0.00 0.00 34.13 32.57 2aqa s GLU 25 CO 0.74 0.68 1.08 1.51 -0.56 0.00 0.00 175.26 178.71 2aqa n ILE 26 N 1.67 2.27 -3.07 -3.70 0.13 -1.26 -4.95 119.36 110.45 2aqa n ILE 26 Ca -0.13 -0.50 -0.39 0.00 -1.10 0.00 0.00 62.75 60.62 2aqa n ILE 26 Cb 0.52 -1.23 -0.05 0.00 -0.84 0.00 0.00 39.64 38.05 2aqa n ILE 26 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2aqa s THR 27 N -1.19 4.76 -0.09 9.51 -4.23 -1.26 -4.96 115.64 118.19 2aqa s THR 27 Ca 0.61 1.48 0.13 0.00 -1.18 0.00 0.00 61.69 62.72 2aqa s THR 27 Cb -0.59 -4.04 -0.19 0.00 1.34 0.00 0.00 72.50 69.02 2aqa s THR 27 CO 0.59 0.41 0.16 2.29 -0.54 0.00 0.00 174.62 177.52 2aqa n LYS 28 N 2.63 1.26 -1.13 3.99 2.85 -1.26 -4.46 118.16 122.03 2aqa n LYS 28 Ca -0.05 -0.06 -0.15 0.00 -1.05 0.00 0.00 58.31 57.00 2aqa n LYS 28 Cb 0.50 -1.34 0.24 0.00 -0.65 0.00 0.00 35.03 33.78 2aqa n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2aqa n SER 29 N -2.29 4.27 -0.03 -5.58 3.41 -1.26 -4.54 113.62 107.60 2aqa n SER 29 Ca -0.14 -3.43 -0.01 0.00 -0.26 0.00 0.00 58.87 55.03 2aqa n SER 29 Cb 0.70 -0.79 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2aqa n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aqa h ALA 30 N 1.81 0.00 -2.31 7.33 0.00 -2.00 -3.48 119.26 120.60 2aqa h ALA 30 Ca 0.46 -0.28 -0.55 0.00 0.00 0.00 0.00 54.91 54.54 2aqa h ALA 30 Cb 2.62 0.16 0.20 0.00 0.00 0.00 0.00 17.79 20.77 2aqa h ALA 30 CO 0.93 0.16 -0.50 -2.39 0.00 0.00 0.00 179.25 177.45 2aqa n HIS 31 N -3.19 -1.16 -2.04 0.00 1.44 -1.26 -4.81 115.22 104.20 2aqa n HIS 31 Ca -0.02 0.29 -0.38 0.00 -2.01 0.00 0.00 57.72 55.59 2aqa n HIS 31 Cb 0.08 -1.85 -0.03 0.00 0.12 0.00 0.00 29.99 28.32 2aqa n HIS 31 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2aqa s PRO 32 N -3.18 2.62 -0.26 -1.40 0.04 -1.26 -4.97 135.00 126.60 2aqa s PRO 32 Ca 0.61 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 2aqa s PRO 32 Cb -0.28 -4.39 -0.05 0.00 0.04 0.00 0.00 34.50 29.82 2aqa s PRO 32 CO 0.63 -2.74 0.19 0.00 0.04 0.00 0.00 177.00 175.12 2aqa s ALA 33 N 9.09 3.57 -0.29 8.56 0.00 -1.26 -5.05 121.76 136.37 2aqa s ALA 33 Ca 0.67 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 2aqa s ALA 33 Cb -0.13 -2.42 0.13 0.00 0.00 0.00 0.00 23.12 20.70 2aqa s ALA 33 CO 0.21 -0.40 0.86 0.50 0.00 0.00 0.00 175.76 176.93 2aqa s ARG 34 N 1.46 0.47 0.08 0.00 6.06 -1.26 -5.07 118.95 120.71 2aqa s ARG 34 Ca 0.08 0.92 -0.33 0.00 -2.50 0.00 0.00 55.73 53.89 2aqa s ARG 34 Cb -0.15 0.26 -0.16 0.00 0.06 0.00 0.00 34.95 34.96 2aqa s ARG 34 CO 0.08 -0.12 1.60 0.74 -2.50 0.00 0.00 175.30 175.11 2aqa h PHE 35 N 6.80 -1.04 -1.12 5.12 0.04 -2.03 -3.47 116.94 121.24 2aqa h PHE 35 Ca -0.25 -0.00 0.32 0.00 2.80 0.00 0.00 57.97 60.84 2aqa h PHE 35 Cb 1.18 0.39 -0.20 0.00 2.20 0.00 0.00 35.95 39.51 2aqa h PHE 35 CO 0.12 -0.57 0.95 0.45 -0.60 0.00 0.00 178.31 178.66 2aqa s SER 36 N -4.44 -0.03 0.08 2.17 0.15 -1.26 -5.05 113.70 105.31 2aqa s SER 36 Ca -0.18 -0.00 -0.17 0.00 0.70 0.00 0.00 55.95 56.31 2aqa s SER 36 Cb 0.05 0.04 -0.10 0.00 -1.71 0.00 0.00 66.02 64.29 2aqa s SER 36 CO 0.62 -0.06 1.40 1.55 1.20 0.00 0.00 173.24 177.95 2aqa h PRO 37 N 2.00 0.58 -5.71 5.44 0.13 -2.05 -3.44 132.00 128.95 2aqa h PRO 37 Ca -0.04 -0.30 -0.55 0.00 -0.87 0.00 0.00 66.00 64.24 2aqa h PRO 37 Cb 1.13 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 31.98 2aqa h PRO 37 CO 0.19 0.89 -0.84 -0.51 -0.23 0.00 0.00 178.00 177.51 2aqa s ASP 38 N -6.39 2.09 0.25 1.44 1.11 -1.26 -5.02 116.67 108.90 2aqa s ASP 38 Ca -0.13 -0.33 0.19 0.00 0.18 0.00 0.00 52.55 52.46 2aqa s ASP 38 Cb 0.07 -0.23 0.07 0.00 1.07 0.00 0.00 42.92 43.90 2aqa s ASP 38 CO 0.80 0.22 1.27 -2.24 1.18 0.00 0.00 175.17 176.40 2aqa h ASP 39 N 5.68 0.00 -0.01 0.27 2.03 -2.02 -3.22 116.42 119.15 2aqa h ASP 39 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2aqa h ASP 39 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2aqa h ASP 39 CO 0.48 0.30 0.00 0.29 -1.03 0.00 0.00 179.24 179.28 2aqa n LYS 40 N -3.01 1.14 -0.17 4.15 5.02 -1.26 -3.90 118.16 120.13 2aqa n LYS 40 Ca -0.00 -0.21 0.24 0.00 -2.02 0.00 0.00 58.31 56.32 2aqa n LYS 40 Cb 0.67 -1.47 0.65 0.00 -0.02 0.00 0.00 35.03 34.86 2aqa n LYS 40 CO 0.00 0.00 0.00 0.10 -0.52 0.00 0.00 177.40 176.98 2aqa h TYR 41 N 0.50 0.17 -2.98 2.13 -0.00 -1.99 -3.38 116.97 111.42 2aqa h TYR 41 Ca 0.00 0.01 -0.56 0.00 -0.00 0.00 0.00 58.73 58.17 2aqa h TYR 41 Cb 0.11 -0.05 -0.05 0.00 -0.00 0.00 0.00 36.73 36.74 2aqa h TYR 41 CO 0.00 0.04 1.14 0.45 -0.00 0.00 0.00 178.16 179.80 2aqa s SER 42 N -5.72 6.13 0.31 0.10 0.15 -1.25 -4.86 113.70 108.57 2aqa s SER 42 Ca -0.06 0.80 0.15 0.00 0.70 0.00 0.00 55.95 57.54 2aqa s SER 42 Cb 0.22 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.41 2aqa s SER 42 CO 0.77 -1.61 1.61 0.08 1.20 0.00 0.00 173.24 175.30 2aqa h ARG 43 N 11.52 0.00 0.00 5.44 0.11 -1.96 -3.02 114.38 126.47 2aqa h ARG 43 Ca -0.29 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.77 2aqa h ARG 43 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 2aqa h ARG 43 CO 1.10 0.51 -0.14 0.37 0.10 0.00 0.00 179.97 181.91 2aqa h GLN 44 N 0.00 0.00 -0.64 0.08 4.15 -1.93 -2.43 115.11 114.33 2aqa h GLN 44 Ca -0.01 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.60 2aqa h GLN 44 Cb 1.11 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 2aqa h GLN 44 CO 0.07 0.14 0.46 -0.09 -1.93 0.00 0.00 178.83 177.47 2aqa h ARG 45 N 0.00 0.01 -0.05 1.69 2.43 -1.92 -0.96 114.38 115.58 2aqa h ARG 45 Ca -0.00 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2aqa h ARG 45 Cb 0.33 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2aqa h ARG 45 CO 0.02 0.01 -0.41 0.28 -1.51 0.00 0.00 179.97 178.35 2aqa h VAL 46 N 0.01 1.44 -3.15 0.20 2.07 -1.64 -3.45 116.25 111.72 2aqa h VAL 46 Ca 0.30 -1.87 -0.53 0.00 0.82 0.00 0.00 66.70 65.43 2aqa h VAL 46 Cb 1.21 2.45 0.06 0.00 -1.52 0.00 0.00 31.29 33.49 2aqa h VAL 46 CO -0.01 0.54 0.87 0.42 0.02 0.00 0.00 177.57 179.41 2aqa s THR 47 N -3.45 2.34 0.26 2.57 -4.23 -0.37 -4.92 115.64 107.84 2aqa s THR 47 Ca -0.14 0.27 -0.31 0.00 -1.18 0.00 0.00 61.69 60.33 2aqa s THR 47 Cb 0.03 -3.17 -0.12 0.00 1.34 0.00 0.00 72.50 70.59 2aqa s THR 47 CO 0.79 0.04 1.64 -1.48 -0.54 0.00 0.00 174.62 175.07 2aqa s LEU 48 N 0.09 4.35 0.10 4.79 2.34 -1.26 -4.96 118.68 124.13 2aqa s LEU 48 Ca 0.65 2.92 -0.30 0.00 0.06 0.00 0.00 54.13 57.46 2aqa s LEU 48 Cb -0.46 -3.62 -0.06 0.00 -0.56 0.00 0.00 46.19 41.50 2aqa s LEU 48 CO 0.41 -0.94 0.98 -0.75 -1.06 0.00 0.00 176.35 174.99 2aqa s LYS 49 N 0.15 4.67 -0.27 1.48 2.20 -1.26 -5.04 119.74 121.67 2aqa s LYS 49 Ca 0.68 1.47 0.03 0.00 -0.36 0.00 0.00 55.97 57.79 2aqa s LYS 49 Cb -0.48 -3.38 0.07 0.00 -1.51 0.00 0.00 37.83 32.52 2aqa s LYS 49 CO 0.42 0.16 -0.08 0.15 -0.36 0.00 0.00 175.35 175.64 2aqa s LYS 50 N 0.12 2.10 -0.08 4.03 1.02 -1.26 -4.93 119.74 120.75 2aqa s LYS 50 Ca 0.48 -1.43 0.04 0.00 0.02 0.00 0.00 55.97 55.08 2aqa s LYS 50 Cb -0.24 -2.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.06 2aqa s LYS 50 CO 0.30 -0.63 -0.01 -2.13 -0.92 0.00 0.00 175.35 171.96 2aqa n ARG 51 N 4.41 2.01 -1.77 1.68 0.63 -1.26 -4.98 116.66 117.38 2aqa n ARG 51 Ca -0.11 0.01 -0.42 0.00 -0.92 0.00 0.00 57.85 56.41 2aqa n ARG 51 Cb 0.42 -1.18 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 2aqa n ARG 51 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2aqa s PHE 52 N -2.17 1.47 0.00 -0.14 0.40 -1.26 -4.81 117.98 111.47 2aqa s PHE 52 Ca -0.06 0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.41 2aqa s PHE 52 Cb 0.02 -4.08 0.13 0.00 0.51 0.00 0.00 43.02 39.60 2aqa s PHE 52 CO 0.26 -4.50 1.02 0.41 0.70 0.00 0.00 175.22 173.11 2aqa n GLY 53 N 4.87 0.67 3.45 4.36 0.00 -1.26 -5.09 105.19 112.20 2aqa n GLY 53 Ca 0.22 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2aqa n GLY 53 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aqa s LEU 54 N 0.00 2.58 -0.44 0.99 0.05 -1.26 -5.08 118.68 115.52 2aqa s LEU 54 Ca 0.10 -0.55 0.07 0.00 0.05 0.00 0.00 54.13 53.81 2aqa s LEU 54 Cb 0.11 -1.47 0.25 0.00 -2.05 0.00 0.00 46.19 43.03 2aqa s LEU 54 CO -0.05 0.21 0.56 1.33 -0.55 0.00 0.00 176.35 177.85 2aqa n VAL 55 N 1.12 -0.11 0.28 1.48 0.24 -1.26 -4.93 118.33 115.15 2aqa n VAL 55 Ca -0.16 -4.23 0.17 0.00 -2.04 0.00 0.00 64.34 58.08 2aqa n VAL 55 Cb 0.52 -1.98 0.70 0.00 -1.47 0.00 0.00 33.84 31.62 2aqa n VAL 55 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2aqa h PRO 56 N 4.10 0.00 0.00 7.34 0.13 -2.07 -3.42 132.00 138.08 2aqa h PRO 56 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2aqa h PRO 56 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2aqa h PRO 56 CO 0.53 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 2aqa n GLY 57 N -0.02 -1.50 0.08 1.56 0.00 -1.26 -5.37 105.19 98.68 2aqa n GLY 57 Ca 0.00 0.61 0.16 0.00 0.00 0.00 0.00 46.02 46.79 2aqa n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14