#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqa n LEU 3 N 0.00 7.83 -2.03 2.41 4.77 -1.26 -4.57 117.00 124.15 2aqa n LEU 3 Ca 0.00 -4.12 -0.22 0.00 -0.03 0.00 0.00 56.01 51.64 2aqa n LEU 3 Cb 0.00 -1.50 0.11 0.00 -2.33 0.00 0.00 43.42 39.70 2aqa n LEU 3 CO 0.00 1.98 1.20 0.23 -1.33 0.00 0.00 177.39 179.47 2aqa n MET 4 N 3.12 2.10 -3.60 3.23 2.81 -1.26 -4.82 117.12 118.70 2aqa n MET 4 Ca 0.68 -2.44 -0.02 0.00 -1.81 0.00 0.00 57.70 54.11 2aqa n MET 4 Cb 0.40 -1.96 -0.05 0.00 -0.71 0.00 0.00 33.22 30.91 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 -2.74 -1.09 0.44 2.03 1.13 -1.26 -2.90 117.35 112.96 2aqa s TYR 5 Ca 0.47 1.97 -0.21 0.00 -1.41 0.00 0.00 57.07 57.89 2aqa s TYR 5 Cb 0.39 0.65 -0.11 0.00 -1.10 0.00 0.00 41.96 41.79 2aqa s TYR 5 CO 0.05 -0.54 0.96 0.95 -2.51 0.00 0.00 175.55 174.47 2aqa s THR 6 N 2.35 4.29 0.32 -3.49 -4.23 -0.25 -4.66 115.64 109.98 2aqa s THR 6 Ca -0.07 1.42 0.07 0.00 -1.18 0.00 0.00 61.69 61.94 2aqa s THR 6 Cb -0.08 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 2aqa s THR 6 CO -0.19 -0.31 0.34 -0.76 -0.54 0.00 0.00 174.62 173.17 2aqa s LEU 7 N -3.24 3.77 0.00 4.79 1.43 -1.26 -0.11 118.68 124.06 2aqa s LEU 7 Ca 0.63 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2aqa s LEU 7 Cb -0.10 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.71 2aqa s LEU 7 CO 0.14 -0.34 0.16 0.61 0.23 0.00 0.00 176.35 177.16 2aqa n GLY 8 N -1.44 1.78 0.25 -3.19 0.00 0.05 -4.86 105.19 97.77 2aqa n GLY 8 Ca -0.02 -2.13 0.16 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.01 132.00 128.73 2aqa h PRO 9 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2aqa h PRO 9 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 2aqa h PRO 9 CO 0.08 0.00 -1.43 -3.47 -0.23 0.00 0.00 178.00 172.95 2aqa n ASP 10 N -2.92 2.07 0.00 1.44 -0.08 -1.26 -4.99 116.55 110.82 2aqa n ASP 10 Ca 0.01 -0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 2aqa n ASP 10 Cb 0.28 1.48 0.00 0.00 2.34 0.00 0.00 41.12 45.22 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 1.76 1.70 3.65 0.27 0.00 -1.14 -5.09 105.19 106.33 2aqa n GLY 11 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 4.05 0.41 1.61 1.02 -1.26 -4.61 119.74 120.96 2aqa s LYS 12 Ca 0.00 1.70 -0.24 0.00 0.02 0.00 0.00 55.97 57.45 2aqa s LYS 12 Cb 0.00 -3.91 -0.08 0.00 -0.52 0.00 0.00 37.83 33.32 2aqa s LYS 12 CO 0.00 -0.97 1.12 1.03 -0.92 0.00 0.00 175.35 175.61 2aqa s ARG 13 N 4.06 4.04 -0.16 1.68 0.52 -1.26 -0.77 118.95 127.05 2aqa s ARG 13 Ca 0.64 1.69 -0.05 0.00 -0.52 0.00 0.00 55.73 57.49 2aqa s ARG 13 Cb -0.24 -2.57 0.06 0.00 0.52 0.00 0.00 34.95 32.72 2aqa s ARG 13 CO 0.23 -0.29 0.10 0.42 0.02 0.00 0.00 175.30 175.79 2aqa s ILE 14 N -1.53 -0.12 -1.34 1.52 1.01 0.84 -4.95 121.20 116.63 2aqa s ILE 14 Ca 0.59 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.01 2aqa s ILE 14 Cb -0.27 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 2aqa s ILE 14 CO 0.33 -0.24 2.47 -1.22 0.00 0.00 0.00 174.94 176.29 2aqa n TYR 15 N 5.29 2.45 0.21 3.97 4.01 -1.26 -1.08 117.16 130.74 2aqa n TYR 15 Ca -0.07 -2.68 0.07 0.00 -0.16 0.00 0.00 57.90 55.07 2aqa n TYR 15 Cb 0.49 -2.25 0.24 0.00 -0.31 0.00 0.00 39.34 37.51 2aqa n TYR 15 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2aqa n THR 16 N 4.41 0.97 -4.15 -0.72 5.66 -1.26 -4.91 114.28 114.28 2aqa n THR 16 Ca 0.61 -0.75 -0.35 0.00 -3.05 0.00 0.00 64.05 60.51 2aqa n THR 16 Cb 0.27 0.18 -0.06 0.00 -1.55 0.00 0.00 70.33 69.18 2aqa n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2aqa n LEU 17 N 0.86 -0.84 -4.56 1.09 -0.00 -1.14 -4.73 117.00 107.69 2aqa n LEU 17 Ca 0.18 -0.92 -0.39 0.00 -0.00 0.00 0.00 56.01 54.87 2aqa n LEU 17 Cb 0.54 -1.59 -0.04 0.00 -0.00 0.00 0.00 43.42 42.33 2aqa n LEU 17 CO 0.14 0.11 1.97 0.29 -0.00 0.00 0.00 177.39 179.90 2aqa n LYS 18 N -3.85 1.28 0.21 1.47 4.76 -1.26 -4.84 118.16 115.93 2aqa n LYS 18 Ca 0.09 0.17 -0.15 0.00 -2.87 0.00 0.00 58.31 55.56 2aqa n LYS 18 Cb 0.47 -3.25 -0.08 0.00 -1.84 0.00 0.00 35.03 30.33 2aqa n LYS 18 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2aqa h LYS 19 N 17.53 -0.46 -6.33 1.97 3.64 -1.93 -3.43 116.57 127.57 2aqa h LYS 19 Ca -0.29 0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.57 2aqa h LYS 19 Cb 1.27 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.15 2aqa h LYS 19 CO 1.10 -0.29 -0.03 0.54 -2.27 0.00 0.00 179.45 178.50 2aqa s VAL 20 N -6.04 4.76 0.28 2.00 0.11 -1.26 -5.09 120.40 115.16 2aqa s VAL 20 Ca -0.15 1.07 0.06 0.00 -2.93 0.00 0.00 61.98 60.03 2aqa s VAL 20 Cb 0.04 -3.83 -0.06 0.00 -1.53 0.00 0.00 36.38 31.01 2aqa s VAL 20 CO 0.63 0.37 -0.04 0.28 -3.33 0.00 0.00 175.10 173.02 2aqa s THR 21 N -1.32 1.56 -0.32 5.04 -1.32 -1.26 -5.12 115.64 112.89 2aqa s THR 21 Ca 0.35 -2.10 -0.16 0.00 -1.21 0.00 0.00 61.69 58.57 2aqa s THR 21 Cb -0.17 -2.49 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2aqa s THR 21 CO 0.19 -0.26 0.42 -0.70 -2.21 0.00 0.00 174.62 172.06 2aqa s GLU 22 N -3.75 3.73 -0.38 7.08 2.12 -1.26 -4.94 118.70 121.30 2aqa s GLU 22 Ca 0.30 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.52 2aqa s GLU 22 Cb 0.05 -3.76 0.70 0.00 0.26 0.00 0.00 34.13 31.38 2aqa s GLU 22 CO 0.12 -0.48 1.85 0.45 -0.54 0.00 0.00 175.26 176.66 2aqa n SER 23 N 5.48 4.33 -4.49 -1.70 2.88 -1.26 -4.83 113.62 114.03 2aqa n SER 23 Ca -0.07 -3.37 -0.44 0.00 -1.33 0.00 0.00 58.87 53.66 2aqa n SER 23 Cb 0.50 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 -0.59 3.12 0.07 0.46 0.00 -1.26 -4.58 105.19 102.41 2aqa n GLY 24 Ca 0.49 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 2aqa n GLY 24 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aqa n GLU 25 N 6.62 1.69 -4.27 1.61 0.28 -1.26 -4.99 120.64 120.33 2aqa n GLU 25 Ca 0.41 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.10 2aqa n GLU 25 Cb 0.44 -1.35 -0.09 0.00 1.43 0.00 0.00 31.44 31.87 2aqa n GLU 25 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2aqa s ILE 26 N -2.33 4.08 -0.04 3.84 2.07 -1.26 -5.12 121.20 122.44 2aqa s ILE 26 Ca -0.08 -0.70 -0.19 0.00 -1.41 0.00 0.00 60.65 58.27 2aqa s ILE 26 Cb 0.04 -2.84 0.04 0.00 0.13 0.00 0.00 42.46 39.83 2aqa s ILE 26 CO 0.54 0.32 0.41 0.28 -1.91 0.00 0.00 174.94 174.58 2aqa s THR 27 N -1.13 0.04 -0.11 4.00 -1.32 -1.26 -5.16 115.64 110.70 2aqa s THR 27 Ca 0.21 -0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.32 2aqa s THR 27 Cb -0.12 -0.71 -0.04 0.00 -1.51 0.00 0.00 72.50 70.13 2aqa s THR 27 CO 0.12 -0.17 0.10 -1.59 -2.21 0.00 0.00 174.62 170.86 2aqa s LYS 28 N -1.14 3.32 -0.17 7.08 -2.85 -1.26 -5.10 119.74 119.62 2aqa s LYS 28 Ca -0.12 -0.21 -0.14 0.00 -1.00 0.00 0.00 55.97 54.51 2aqa s LYS 28 Cb -0.04 -3.08 0.05 0.00 -2.06 0.00 0.00 37.83 32.70 2aqa s LYS 28 CO 0.05 0.75 0.43 0.45 0.10 0.00 0.00 175.35 177.14 2aqa s SER 29 N -0.97 -0.48 -0.05 0.03 0.15 -1.26 -5.08 113.70 106.05 2aqa s SER 29 Ca 0.14 0.89 -0.12 0.00 0.70 0.00 0.00 55.95 57.57 2aqa s SER 29 Cb -0.12 0.87 -0.06 0.00 -1.71 0.00 0.00 66.02 64.99 2aqa s SER 29 CO 0.03 -0.16 0.48 0.00 1.20 0.00 0.00 173.24 174.79 2aqa h ALA 30 N 5.93 -0.42 -2.74 5.45 0.00 -2.10 -3.48 119.26 121.89 2aqa h ALA 30 Ca -0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2aqa h ALA 30 Cb 1.18 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 2aqa h ALA 30 CO 0.25 -0.39 -0.09 -1.01 0.00 0.00 0.00 179.25 178.00 2aqa s HIS 31 N -2.92 -0.15 0.23 0.00 3.76 -1.26 -5.15 115.29 109.80 2aqa s HIS 31 Ca -0.06 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.37 2aqa s HIS 31 Cb 0.01 0.23 -0.09 0.00 1.11 0.00 0.00 32.58 33.84 2aqa s HIS 31 CO 0.18 -0.71 1.29 -1.25 -0.85 0.00 0.00 174.74 173.40 2aqa s PRO 32 N -3.82 4.41 -0.22 8.40 0.04 -1.26 -4.96 135.00 137.59 2aqa s PRO 32 Ca 0.04 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 2aqa s PRO 32 Cb 0.02 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 2aqa s PRO 32 CO -0.11 -0.19 1.49 0.00 0.04 0.00 0.00 177.00 178.23 2aqa s ALA 33 N -0.22 3.38 0.17 8.56 0.00 -1.26 -4.95 121.76 127.44 2aqa s ALA 33 Ca 0.54 0.42 -0.33 0.00 0.00 0.00 0.00 51.96 52.58 2aqa s ALA 33 Cb -0.36 -3.79 -0.14 0.00 0.00 0.00 0.00 23.12 18.82 2aqa s ALA 33 CO 0.41 -1.75 1.50 2.89 0.00 0.00 0.00 175.76 178.81 2aqa n ARG 34 N 7.39 2.00 -0.08 0.00 1.85 -1.26 -4.93 116.66 121.63 2aqa n ARG 34 Ca 0.17 0.72 -0.08 0.00 -1.00 0.00 0.00 57.85 57.65 2aqa n ARG 34 Cb 0.45 -2.44 -0.04 0.00 -1.05 0.00 0.00 32.46 29.39 2aqa n ARG 34 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2aqa n PHE 35 N 2.92 0.86 -3.53 2.89 3.01 -1.26 -5.08 117.46 117.26 2aqa n PHE 35 Ca 0.16 0.37 -0.07 0.00 1.01 0.00 0.00 57.45 58.91 2aqa n PHE 35 Cb 0.28 -0.81 -0.02 0.00 -0.01 0.00 0.00 39.48 38.92 2aqa n PHE 35 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aqa s SER 36 N -5.98 -0.32 0.25 4.37 0.01 -1.26 -5.05 113.70 105.73 2aqa s SER 36 Ca -0.19 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.08 2aqa s SER 36 Cb 0.03 0.35 0.31 0.00 0.21 0.00 0.00 66.02 66.92 2aqa s SER 36 CO 0.30 -0.57 1.62 1.55 0.41 0.00 0.00 173.24 176.56 2aqa h PRO 37 N 2.00 0.38 -5.66 12.44 0.13 -2.04 -3.44 132.00 135.82 2aqa h PRO 37 Ca -0.20 -0.20 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 2aqa h PRO 37 Cb 1.23 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.08 2aqa h PRO 37 CO 0.29 0.76 -0.83 -0.51 -0.23 0.00 0.00 178.00 177.48 2aqa s ASP 38 N -6.87 2.04 0.25 1.44 1.01 -1.26 -5.03 116.67 108.25 2aqa s ASP 38 Ca -0.06 -0.34 0.19 0.00 0.71 0.00 0.00 52.55 53.05 2aqa s ASP 38 Cb 0.13 -0.21 0.07 0.00 1.01 0.00 0.00 42.92 43.91 2aqa s ASP 38 CO 0.80 0.19 1.26 -0.78 0.21 0.00 0.00 175.17 176.86 2aqa h ASP 39 N 5.57 0.00 0.56 0.27 3.58 -2.03 -3.32 116.42 121.05 2aqa h ASP 39 Ca -0.37 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 56.79 2aqa h ASP 39 Cb 1.15 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 2aqa h ASP 39 CO 0.48 0.30 -1.55 0.11 -2.88 0.00 0.00 179.24 175.69 2aqa h LYS 40 N 0.00 0.07 -0.18 0.28 6.56 -2.00 -3.32 116.57 117.97 2aqa h LYS 40 Ca -0.04 -0.11 0.05 0.00 -1.06 0.00 0.00 60.65 59.49 2aqa h LYS 40 Cb 1.26 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.96 2aqa h LYS 40 CO 0.03 0.77 0.22 1.88 -2.06 0.00 0.00 179.45 180.29 2aqa h TYR 41 N 0.02 0.00 0.00 -1.35 -1.99 -1.99 0.12 116.97 111.78 2aqa h TYR 41 Ca -0.23 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.29 2aqa h TYR 41 Cb 1.96 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.66 2aqa h TYR 41 CO 0.02 0.00 -1.00 1.03 -0.00 0.00 0.00 178.16 178.21 2aqa h SER 42 N 0.00 0.00 0.86 3.88 0.87 -1.71 -3.24 113.55 114.20 2aqa h SER 42 Ca 0.09 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2aqa h SER 42 Cb 0.52 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2aqa h SER 42 CO -0.00 0.97 -0.49 0.03 -0.53 0.00 0.00 176.83 176.81 2aqa h ARG 43 N 0.00 0.00 -0.14 2.24 3.08 -0.92 -3.22 114.38 115.42 2aqa h ARG 43 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2aqa h ARG 43 Cb 1.76 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.81 2aqa h ARG 43 CO 0.12 0.49 -0.15 1.96 -1.07 0.00 0.00 179.97 181.33 2aqa h GLN 44 N 0.00 0.35 -0.86 0.04 4.20 -1.47 -3.02 115.11 114.34 2aqa h GLN 44 Ca -0.00 -0.19 0.23 0.00 0.06 0.00 0.00 58.65 58.74 2aqa h GLN 44 Cb 1.06 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 2aqa h GLN 44 CO 0.06 0.75 0.60 0.00 -0.67 0.00 0.00 178.83 179.57 2aqa h ARG 45 N -0.03 0.17 -0.21 1.46 2.47 -1.58 0.58 114.38 117.23 2aqa h ARG 45 Ca 0.02 -0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 2aqa h ARG 45 Cb 0.69 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2aqa h ARG 45 CO 0.04 0.11 -0.54 0.28 0.56 0.00 0.00 179.97 180.42 2aqa h VAL 46 N 0.18 1.30 -2.07 2.04 2.07 -1.60 -3.43 116.25 114.74 2aqa h VAL 46 Ca 0.43 -1.75 -0.57 0.00 0.82 0.00 0.00 66.70 65.62 2aqa h VAL 46 Cb 1.41 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2aqa h VAL 46 CO -0.08 0.55 1.40 0.41 0.02 0.00 0.00 177.57 179.87 2aqa n THR 47 N -4.10 0.48 0.85 2.57 -1.04 0.19 -4.82 114.28 108.42 2aqa n THR 47 Ca -0.06 -0.34 0.10 0.00 -2.04 0.00 0.00 64.05 61.71 2aqa n THR 47 Cb 0.62 -2.44 0.48 0.00 -1.82 0.00 0.00 70.33 67.17 2aqa n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2aqa n LEU 48 N 10.18 0.00 -0.15 -4.42 -0.00 -1.26 -3.35 117.00 117.99 2aqa n LEU 48 Ca 0.27 0.38 0.27 0.00 -0.00 0.00 0.00 56.01 56.94 2aqa n LEU 48 Cb 0.42 -0.38 0.72 0.00 -0.00 0.00 0.00 43.42 44.18 2aqa n LEU 48 CO 0.67 -0.12 1.25 0.11 -0.00 0.00 0.00 177.39 179.30 2aqa h LYS 49 N 0.00 0.00 -5.93 1.47 1.57 -1.92 -3.40 116.57 108.36 2aqa h LYS 49 Ca 0.00 -0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2aqa h LYS 49 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2aqa h LYS 49 CO 0.00 0.00 1.45 0.36 -0.57 0.00 0.00 179.45 180.69 2aqa n LYS 50 N -4.29 1.10 -0.02 3.15 2.85 -1.21 -4.75 118.16 114.98 2aqa n LYS 50 Ca 0.17 0.28 -0.01 0.00 -1.05 0.00 0.00 58.31 57.71 2aqa n LYS 50 Cb 0.91 -2.53 -0.06 0.00 -0.65 0.00 0.00 35.03 32.70 2aqa n LYS 50 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2aqa n ARG 51 N 8.29 1.91 -3.16 -1.58 0.63 -1.26 -5.02 116.66 116.47 2aqa n ARG 51 Ca 0.41 -0.03 -0.23 0.00 -0.92 0.00 0.00 57.85 57.09 2aqa n ARG 51 Cb 0.25 -1.18 0.03 0.00 0.45 0.00 0.00 32.46 32.02 2aqa n ARG 51 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2aqa n PHE 52 N -2.07 -2.06 -1.61 -0.14 3.01 -1.26 -4.89 117.46 108.44 2aqa n PHE 52 Ca -0.08 0.58 -0.28 0.00 1.01 0.00 0.00 57.45 58.68 2aqa n PHE 52 Cb 0.53 -4.33 0.07 0.00 -0.01 0.00 0.00 39.48 35.74 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aqa n GLY 53 N -1.53 5.98 0.11 1.37 0.00 -1.26 -4.80 105.19 105.06 2aqa n GLY 53 Ca -0.08 -2.34 -0.04 0.00 0.00 0.00 0.00 46.02 43.55 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 1.98 -0.30 -5.64 0.99 5.85 -2.05 -3.41 115.31 112.73 2aqa h LEU 54 Ca 0.49 0.02 -0.40 0.00 0.84 0.00 0.00 57.88 58.84 2aqa h LEU 54 Cb 1.22 0.10 -0.28 0.00 0.37 0.00 0.00 40.66 42.06 2aqa h LEU 54 CO 1.18 -0.15 -0.80 0.52 -0.34 0.00 0.00 178.44 178.85 2aqa n VAL 55 N -2.95 -0.52 -2.06 1.05 0.31 -1.26 -5.10 118.33 107.80 2aqa n VAL 55 Ca -0.03 -2.61 -0.41 0.00 -0.01 0.00 0.00 64.34 61.28 2aqa n VAL 55 Cb 0.10 -0.42 -0.03 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.03 2.99 0.00 5.55 0.04 -1.26 -4.93 135.00 137.42 2aqa s PRO 56 Ca 0.33 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2aqa s PRO 56 Cb 0.11 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2aqa s PRO 56 CO -0.15 -2.28 0.13 0.41 0.04 0.00 0.00 177.00 175.14 2aqa n GLY 57 N 5.53 -0.28 0.00 0.56 0.00 -1.26 -5.21 105.19 104.53 2aqa n GLY 57 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 2aqa n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14