#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 4.35 -0.34 2.41 1.43 -1.26 -4.90 118.68 120.36 2aqa s LEU 3 Ca 0.00 2.26 0.07 0.00 -1.03 0.00 0.00 54.13 55.43 2aqa s LEU 3 Cb 0.00 -3.57 0.67 0.00 0.03 0.00 0.00 46.19 43.32 2aqa s LEU 3 CO 0.00 -0.71 1.78 0.23 0.23 0.00 0.00 176.35 177.88 2aqa n MET 4 N 4.73 3.06 -3.62 1.70 2.81 -1.26 -4.84 117.12 119.71 2aqa n MET 4 Ca 0.13 -2.82 -0.02 0.00 -1.81 0.00 0.00 57.70 53.17 2aqa n MET 4 Cb 0.43 -2.13 -0.05 0.00 -0.71 0.00 0.00 33.22 30.75 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 -2.89 -1.14 0.55 2.03 1.13 -1.26 -3.60 117.35 112.17 2aqa s TYR 5 Ca 0.52 2.07 -0.14 0.00 -1.41 0.00 0.00 57.07 58.11 2aqa s TYR 5 Cb 0.42 0.69 -0.06 0.00 -1.10 0.00 0.00 41.96 41.90 2aqa s TYR 5 CO 0.12 -0.57 0.99 0.95 -2.51 0.00 0.00 175.55 174.53 2aqa s THR 6 N 2.41 4.62 0.32 -3.49 -4.23 0.00 -4.69 115.64 110.58 2aqa s THR 6 Ca -0.07 1.04 0.08 0.00 -1.18 0.00 0.00 61.69 61.56 2aqa s THR 6 Cb -0.09 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.94 2aqa s THR 6 CO -0.19 -0.86 0.23 -0.76 -0.54 0.00 0.00 174.62 172.50 2aqa s LEU 7 N -4.51 3.55 0.00 4.79 1.43 -1.26 -0.08 118.68 122.61 2aqa s LEU 7 Ca 0.57 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 2aqa s LEU 7 Cb -0.10 -2.12 0.07 0.00 0.03 0.00 0.00 46.19 44.07 2aqa s LEU 7 CO 0.40 -0.26 0.56 0.61 0.23 0.00 0.00 176.35 177.88 2aqa n GLY 8 N -1.27 1.77 0.12 -3.19 0.00 0.78 -4.89 105.19 98.50 2aqa n GLY 8 Ca -0.03 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.90 0.17 -0.01 1.61 -0.04 -1.26 -2.64 135.00 130.93 2aqa n PRO 9 Ca 0.11 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 2aqa n PRO 9 Cb 0.40 -1.84 -0.10 0.00 -0.04 0.00 0.00 33.50 31.93 2aqa n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2aqa n ASP 10 N -2.17 2.18 0.00 3.54 2.03 -1.26 -4.99 116.55 115.88 2aqa n ASP 10 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2aqa n ASP 10 Cb 0.22 1.55 0.00 0.00 -0.72 0.00 0.00 41.12 42.17 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 1.81 1.65 3.71 0.27 0.00 -1.08 -5.11 105.19 106.44 2aqa n GLY 11 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 4.47 0.40 1.61 2.20 -1.26 -4.66 119.74 122.47 2aqa s LYS 12 Ca 0.00 1.64 -0.23 0.00 -0.36 0.00 0.00 55.97 57.02 2aqa s LYS 12 Cb 0.00 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 2aqa s LYS 12 CO 0.00 -0.20 0.96 1.03 -0.36 0.00 0.00 175.35 176.78 2aqa s ARG 13 N 1.14 4.30 -0.09 4.03 0.52 -1.26 -0.16 118.95 127.43 2aqa s ARG 13 Ca 0.56 1.21 -0.04 0.00 -0.52 0.00 0.00 55.73 56.95 2aqa s ARG 13 Cb -0.26 -2.37 0.05 0.00 0.52 0.00 0.00 34.95 32.89 2aqa s ARG 13 CO 0.28 0.03 0.19 0.42 0.02 0.00 0.00 175.30 176.24 2aqa s ILE 14 N -1.98 -0.25 0.93 1.52 1.01 0.89 -4.94 121.20 118.39 2aqa s ILE 14 Ca 0.59 0.30 -0.12 0.00 0.00 0.00 0.00 60.65 61.41 2aqa s ILE 14 Cb -0.13 -0.33 0.15 0.00 0.01 0.00 0.00 42.46 42.17 2aqa s ILE 14 CO 0.17 0.12 1.13 -0.31 0.00 0.00 0.00 174.94 176.06 2aqa s TYR 15 N 2.08 2.40 -1.21 3.97 2.02 -1.26 -0.82 117.35 124.52 2aqa s TYR 15 Ca -0.00 0.86 0.00 0.00 -0.37 0.00 0.00 57.07 57.56 2aqa s TYR 15 Cb -0.12 -3.37 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 2aqa s TYR 15 CO -0.07 -2.50 0.00 0.25 -1.57 0.00 0.00 175.55 171.66 2aqa n THR 16 N -3.86 -0.46 -4.33 -0.71 -2.24 -1.24 -1.70 114.28 99.74 2aqa n THR 16 Ca 0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 2aqa n THR 16 Cb 0.59 -1.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.03 2aqa n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aqa n LEU 17 N -2.57 -0.87 -3.26 3.22 -0.00 -1.24 -4.74 117.00 107.54 2aqa n LEU 17 Ca -0.15 -1.07 -0.33 0.00 -0.00 0.00 0.00 56.01 54.46 2aqa n LEU 17 Cb 0.57 -1.62 -0.03 0.00 -0.00 0.00 0.00 43.42 42.35 2aqa n LEU 17 CO 0.19 0.11 3.08 1.17 -0.00 0.00 0.00 177.39 181.94 2aqa n LYS 18 N -3.96 3.19 0.18 1.47 4.81 -0.69 -4.60 118.16 118.55 2aqa n LYS 18 Ca 0.10 -1.96 0.09 0.00 -0.87 0.00 0.00 58.31 55.68 2aqa n LYS 18 Cb 0.46 -2.68 0.61 0.00 0.02 0.00 0.00 35.03 33.44 2aqa n LYS 18 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2aqa h LYS 19 N 5.40 0.09 -6.53 1.64 2.10 -1.88 -3.43 116.57 113.96 2aqa h LYS 19 Ca 0.75 -0.01 -0.57 0.00 -2.00 0.00 0.00 60.65 58.83 2aqa h LYS 19 Cb 0.25 -0.02 0.06 0.00 -0.90 0.00 0.00 32.23 31.61 2aqa h LYS 19 CO 1.67 0.06 0.87 0.28 -2.00 0.00 0.00 179.45 180.33 2aqa n VAL 20 N -4.51 0.04 -4.36 0.07 0.31 -1.26 -4.99 118.33 103.63 2aqa n VAL 20 Ca 0.00 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2aqa n VAL 20 Cb 0.17 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 31.31 2aqa n VAL 20 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2aqa s THR 21 N 1.18 1.95 -0.20 2.52 -1.32 -1.26 -5.10 115.64 113.41 2aqa s THR 21 Ca 0.79 -2.07 -0.29 0.00 -1.21 0.00 0.00 61.69 58.90 2aqa s THR 21 Cb -0.63 -1.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.36 2aqa s THR 21 CO 0.37 -0.37 1.41 -0.70 -2.21 0.00 0.00 174.62 173.12 2aqa s GLU 22 N -3.09 4.04 0.35 7.08 2.12 -1.26 -4.89 118.70 123.06 2aqa s GLU 22 Ca 0.20 1.63 0.17 0.00 0.36 0.00 0.00 54.97 57.34 2aqa s GLU 22 Cb -0.05 -3.89 0.57 0.00 0.26 0.00 0.00 34.13 31.02 2aqa s GLU 22 CO 0.08 -0.97 1.68 1.03 -0.54 0.00 0.00 175.26 176.55 2aqa h SER 23 N 9.25 0.00 -3.63 -1.70 0.87 -2.04 -3.46 113.55 112.84 2aqa h SER 23 Ca -0.30 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.91 2aqa h SER 23 Cb 1.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2aqa h SER 23 CO 0.99 0.43 -0.47 0.61 -0.53 0.00 0.00 176.83 177.86 2aqa n GLY 24 N 0.35 -0.50 3.99 5.77 0.00 -1.26 -4.97 105.19 108.56 2aqa n GLY 24 Ca -0.00 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 2aqa n GLY 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aqa s GLU 25 N -5.19 2.84 0.49 1.61 -1.05 -1.26 -5.05 118.70 111.09 2aqa s GLU 25 Ca 0.06 -0.93 -0.22 0.00 -0.15 0.00 0.00 54.97 53.73 2aqa s GLU 25 Cb -0.03 -2.66 -0.09 0.00 -0.44 0.00 0.00 34.13 30.91 2aqa s GLU 25 CO 0.08 -0.33 0.94 1.51 0.95 0.00 0.00 175.26 178.40 2aqa n ILE 26 N -1.99 2.78 -2.53 1.83 0.13 -1.26 -4.93 119.36 113.39 2aqa n ILE 26 Ca 0.05 -0.50 -0.40 0.00 -1.10 0.00 0.00 62.75 60.81 2aqa n ILE 26 Cb 0.59 -1.10 -0.05 0.00 -0.84 0.00 0.00 39.64 38.24 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 -1.40 3.62 1.02 9.51 -4.23 -1.26 -5.02 115.64 117.88 2aqa s THR 27 Ca 0.67 1.56 -0.12 0.00 -1.18 0.00 0.00 61.69 62.62 2aqa s THR 27 Cb -0.50 -3.96 0.18 0.00 1.34 0.00 0.00 72.50 69.55 2aqa s THR 27 CO 0.54 0.32 0.94 2.29 -0.54 0.00 0.00 174.62 178.16 2aqa n LYS 28 N 1.01 -1.14 -3.54 3.99 2.85 -1.26 -5.02 118.16 115.04 2aqa n LYS 28 Ca -0.00 -0.28 -0.19 0.00 -1.05 0.00 0.00 58.31 56.78 2aqa n LYS 28 Cb 0.46 -2.21 -0.01 0.00 -0.65 0.00 0.00 35.03 32.63 2aqa n LYS 28 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2aqa s SER 29 N -2.44 6.03 -0.01 -5.58 0.01 -1.26 -5.05 113.70 105.40 2aqa s SER 29 Ca 0.66 -0.13 -0.23 0.00 1.31 0.00 0.00 55.95 57.55 2aqa s SER 29 Cb -0.23 -1.35 -0.16 0.00 0.21 0.00 0.00 66.02 64.49 2aqa s SER 29 CO 0.62 -0.37 1.08 0.00 0.41 0.00 0.00 173.24 174.98 2aqa h ALA 30 N 0.93 -0.41 -2.15 1.44 0.00 -2.07 -3.45 119.26 113.54 2aqa h ALA 30 Ca -0.47 -0.19 -0.49 0.00 0.00 0.00 0.00 54.91 53.75 2aqa h ALA 30 Cb 1.25 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2aqa h ALA 30 CO 0.54 -0.51 -0.50 -1.01 0.00 0.00 0.00 179.25 177.77 2aqa s HIS 31 N -4.23 3.14 0.16 0.00 3.76 -1.26 -5.01 115.29 111.85 2aqa s HIS 31 Ca -0.13 -0.12 0.31 0.00 -0.15 0.00 0.00 55.06 54.97 2aqa s HIS 31 Cb 0.02 -1.48 1.28 0.00 1.11 0.00 0.00 32.58 33.51 2aqa s HIS 31 CO 0.49 0.46 1.96 -1.00 -0.85 0.00 0.00 174.74 175.81 2aqa h PRO 32 N 1.40 0.00 -4.89 8.40 0.13 -2.05 -3.47 132.00 131.53 2aqa h PRO 32 Ca -0.49 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 2aqa h PRO 32 Cb 1.24 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.47 2aqa h PRO 32 CO 0.60 0.08 -0.59 0.00 -0.23 0.00 0.00 178.00 177.86 2aqa n ALA 33 N -2.15 -1.07 -2.52 -0.56 0.00 -1.26 -4.91 120.51 108.05 2aqa n ALA 33 Ca 0.00 0.33 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 2aqa n ALA 33 Cb 0.33 -4.50 -0.03 0.00 0.00 0.00 0.00 19.45 15.25 2aqa n ALA 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2aqa s ARG 34 N -5.96 3.31 -0.19 0.00 1.81 -1.26 -4.92 118.95 111.73 2aqa s ARG 34 Ca 0.43 -0.56 -0.27 0.00 -1.72 0.00 0.00 55.73 53.61 2aqa s ARG 34 Cb -0.19 -4.69 0.07 0.00 -0.45 0.00 0.00 34.95 29.70 2aqa s ARG 34 CO 0.54 -2.24 0.71 -0.59 -0.68 0.00 0.00 175.30 173.04 2aqa s PHE 35 N 5.71 -0.73 0.96 -0.53 -0.71 -1.26 -5.16 117.98 116.25 2aqa s PHE 35 Ca 0.42 1.62 -0.13 0.00 -1.04 0.00 0.00 56.93 57.79 2aqa s PHE 35 Cb -0.05 0.32 0.03 0.00 -1.21 0.00 0.00 43.02 42.12 2aqa s PHE 35 CO 0.05 -0.46 0.35 0.43 -1.34 0.00 0.00 175.22 174.25 2aqa n SER 36 N 2.02 -2.21 -0.12 1.98 7.64 -1.26 -4.92 113.62 116.75 2aqa n SER 36 Ca -0.16 0.30 -0.13 0.00 1.01 0.00 0.00 58.87 59.89 2aqa n SER 36 Cb 0.56 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 2aqa n SER 36 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2aqa h PRO 37 N -1.58 0.94 -2.35 1.43 0.13 -2.01 -3.46 132.00 125.10 2aqa h PRO 37 Ca -0.44 -0.50 -0.08 0.00 -0.87 0.00 0.00 66.00 64.11 2aqa h PRO 37 Cb 1.29 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.24 2aqa h PRO 37 CO 0.34 1.15 0.03 0.34 -0.23 0.00 0.00 178.00 179.64 2aqa s ASP 38 N -6.84 -0.50 0.35 1.44 2.15 -1.26 -5.04 116.67 106.98 2aqa s ASP 38 Ca -0.11 0.50 0.19 0.00 0.43 0.00 0.00 52.55 53.56 2aqa s ASP 38 Cb 0.11 0.46 0.24 0.00 -0.30 0.00 0.00 42.92 43.43 2aqa s ASP 38 CO 0.88 -0.56 1.54 0.44 -0.17 0.00 0.00 175.17 177.30 2aqa h ASP 39 N 3.28 0.00 0.29 -0.34 5.19 -1.98 -3.21 116.42 119.66 2aqa h ASP 39 Ca -0.28 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.05 2aqa h ASP 39 Cb 1.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 2aqa h ASP 39 CO 0.39 0.29 -0.34 0.11 -3.12 0.00 0.00 179.24 176.57 2aqa h LYS 40 N 0.00 0.08 -0.18 3.56 6.56 -2.02 -2.55 116.57 122.01 2aqa h LYS 40 Ca -0.00 -0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.61 2aqa h LYS 40 Cb 1.19 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 2aqa h LYS 40 CO 0.04 0.41 0.21 1.88 -2.06 0.00 0.00 179.45 179.93 2aqa h TYR 41 N 0.07 0.00 -3.12 -1.35 -1.99 -1.98 -3.38 116.97 105.22 2aqa h TYR 41 Ca 0.01 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.19 2aqa h TYR 41 Cb 0.64 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.30 2aqa h TYR 41 CO 0.00 0.00 1.02 0.45 -0.00 0.00 0.00 178.16 179.64 2aqa s SER 42 N -5.73 6.34 0.35 3.88 0.15 -0.96 -4.86 113.70 112.86 2aqa s SER 42 Ca -0.05 0.26 0.17 0.00 0.70 0.00 0.00 55.95 57.04 2aqa s SER 42 Cb 0.15 -2.55 0.55 0.00 -1.71 0.00 0.00 66.02 62.46 2aqa s SER 42 CO 0.54 -1.54 1.67 -0.09 1.20 0.00 0.00 173.24 175.02 2aqa h ARG 43 N 10.14 0.00 -0.10 5.44 2.43 -1.88 -3.02 114.38 127.39 2aqa h ARG 43 Ca -0.26 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2aqa h ARG 43 Cb 1.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2aqa h ARG 43 CO 1.17 0.43 0.16 0.37 -1.51 0.00 0.00 179.97 180.59 2aqa h GLN 44 N 0.00 0.00 -0.28 0.20 5.75 -1.95 -0.78 115.11 118.06 2aqa h GLN 44 Ca -0.00 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2aqa h GLN 44 Cb 1.01 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2aqa h GLN 44 CO 0.06 0.00 0.30 -0.09 -2.65 0.00 0.00 178.83 176.44 2aqa h ARG 45 N 0.00 0.00 -0.89 1.69 1.12 -1.90 -0.91 114.38 113.49 2aqa h ARG 45 Ca 0.05 0.00 0.19 0.00 -1.11 0.00 0.00 59.98 59.11 2aqa h ARG 45 Cb 0.37 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.26 2aqa h ARG 45 CO -0.00 0.00 0.59 -0.24 -3.11 0.00 0.00 179.97 177.21 2aqa h VAL 46 N 0.00 0.70 -3.63 0.20 3.04 -1.38 -3.36 116.25 111.82 2aqa h VAL 46 Ca 0.13 -0.15 -0.62 0.00 -1.01 0.00 0.00 66.70 65.05 2aqa h VAL 46 Cb 0.72 0.22 -0.12 0.00 -2.01 0.00 0.00 31.29 30.10 2aqa h VAL 46 CO -0.00 0.08 0.43 0.42 -1.01 0.00 0.00 177.57 177.49 2aqa s THR 47 N -5.46 4.60 -0.28 3.17 -4.23 -0.35 -4.98 115.64 108.12 2aqa s THR 47 Ca -0.08 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 2aqa s THR 47 Cb 0.23 -4.34 0.16 0.00 1.34 0.00 0.00 72.50 69.88 2aqa s THR 47 CO 0.78 -0.72 0.43 -0.76 -0.54 0.00 0.00 174.62 173.82 2aqa s LEU 48 N 3.41 -0.88 -1.59 4.79 1.43 -1.26 -4.92 118.68 119.66 2aqa s LEU 48 Ca 0.32 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 2aqa s LEU 48 Cb -0.12 1.28 0.11 0.00 0.03 0.00 0.00 46.19 47.49 2aqa s LEU 48 CO 0.23 -0.33 0.83 1.17 0.23 0.00 0.00 176.35 178.48 2aqa n LYS 49 N 5.37 -4.25 -1.20 1.70 0.00 -1.26 -4.89 118.16 113.62 2aqa n LYS 49 Ca -0.00 0.48 -0.34 0.00 0.00 0.00 0.00 58.31 58.45 2aqa n LYS 49 Cb 0.50 -5.21 0.11 0.00 0.00 0.00 0.00 35.03 30.44 2aqa n LYS 49 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2aqa n LYS 50 N -4.51 0.32 -3.69 1.64 -0.00 -1.26 -5.04 118.16 105.61 2aqa n LYS 50 Ca 0.01 0.18 -0.12 0.00 -0.00 0.00 0.00 58.31 58.38 2aqa n LYS 50 Cb 0.53 -2.39 -0.06 0.00 -0.00 0.00 0.00 35.03 33.11 2aqa n LYS 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2aqa s ARG 51 N -3.88 0.92 -0.00 -1.58 3.52 -1.26 -5.10 118.95 111.57 2aqa s ARG 51 Ca 0.74 -0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 55.81 2aqa s ARG 51 Cb -0.31 0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 33.48 2aqa s ARG 51 CO 0.50 -0.32 0.52 0.74 -0.81 0.00 0.00 175.30 175.93 2aqa h PHE 52 N 2.90 -0.02 0.00 5.12 0.04 -2.06 -3.47 116.94 119.45 2aqa h PHE 52 Ca -0.32 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 2aqa h PHE 52 Cb 1.21 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.37 2aqa h PHE 52 CO 0.40 -0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 2aqa n GLY 53 N 0.46 2.10 3.75 -1.45 0.00 -1.26 -4.96 105.19 103.83 2aqa n GLY 53 Ca -0.00 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2aqa n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqa s LEU 54 N 0.00 4.45 -0.40 0.99 2.01 -1.26 -4.99 118.68 119.47 2aqa s LEU 54 Ca 0.00 2.37 0.06 0.00 0.01 0.00 0.00 54.13 56.57 2aqa s LEU 54 Cb 0.00 -3.62 0.22 0.00 0.01 0.00 0.00 46.19 42.80 2aqa s LEU 54 CO 0.00 -0.41 0.47 0.52 1.01 0.00 0.00 176.35 177.94 2aqa n VAL 55 N 2.09 -0.85 -2.18 -1.59 0.31 -1.26 -5.13 118.33 109.73 2aqa n VAL 55 Ca 0.03 -3.63 -0.35 0.00 -0.01 0.00 0.00 64.34 60.39 2aqa n VAL 55 Cb 0.44 -1.65 0.01 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.62 3.26 0.00 5.55 0.04 -1.26 -4.97 135.00 137.01 2aqa s PRO 56 Ca 0.34 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2aqa s PRO 56 Cb 0.12 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2aqa s PRO 56 CO -0.15 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2aqa n GLY 57 N 0.05 0.47 0.00 0.56 0.00 -1.26 -5.30 105.19 99.71 2aqa n GLY 57 Ca 0.11 0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.48 2aqa n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26