#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ota s ILE 2 N 0.00 1.20 -0.08 4.25 1.01 -1.26 -1.35 121.20 124.97 4ota s ILE 2 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.15 4ota s ILE 2 Cb 0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 4ota s ILE 2 CO 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 174.94 175.14 4ota s ALA 3 N 1.62 2.85 -0.18 9.38 0.00 0.84 -4.99 121.76 131.28 4ota s ALA 3 Ca 0.03 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.10 4ota s ALA 3 Cb -0.14 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.82 4ota s ALA 3 CO -0.09 0.48 -0.14 -1.14 0.00 0.00 0.00 175.76 174.87 4ota s GLN 4 N -0.48 2.39 -0.16 0.00 0.74 -1.26 -0.21 119.66 120.67 4ota s GLN 4 Ca 0.07 -0.75 -0.04 0.00 0.05 0.00 0.00 55.36 54.69 4ota s GLN 4 Cb -0.12 -2.35 -0.02 0.00 1.10 0.00 0.00 33.01 31.61 4ota s GLN 4 CO 0.02 -0.30 -0.04 0.42 -0.55 0.00 0.00 175.29 174.84 4ota s ILE 5 N 1.39 3.79 -0.31 -2.34 1.01 0.31 -4.96 121.20 120.09 4ota s ILE 5 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 4ota s ILE 5 Cb -0.14 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 4ota s ILE 5 CO -0.10 0.48 0.24 -1.00 0.00 0.00 0.00 174.94 174.55 4ota s HIS 6 N 0.54 3.22 0.15 3.97 3.76 -1.26 -1.10 115.29 124.57 4ota s HIS 6 Ca -0.03 -0.02 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 4ota s HIS 6 Cb -0.14 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 4ota s HIS 6 CO 0.03 -0.27 -0.13 0.96 -0.85 0.00 0.00 174.74 174.47 4ota s ILE 7 N 1.78 1.36 0.42 0.60 -4.36 -0.83 -5.00 121.20 115.17 4ota s ILE 7 Ca 0.07 -1.92 -0.24 0.00 -0.26 0.00 0.00 60.65 58.31 4ota s ILE 7 Cb -0.17 -1.72 -0.08 0.00 1.25 0.00 0.00 42.46 41.74 4ota s ILE 7 CO 0.11 -0.55 1.09 -0.76 0.24 0.00 0.00 174.94 175.06 4ota s LEU 8 N -2.84 4.10 0.79 0.37 1.43 -1.26 -0.64 118.68 120.63 4ota s LEU 8 Ca 0.14 2.12 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 4ota s LEU 8 Cb -0.02 -4.20 0.07 0.00 0.03 0.00 0.00 46.19 42.07 4ota s LEU 8 CO 0.03 -0.63 1.16 -1.83 0.23 0.00 0.00 176.35 175.31 4ota s GLU 9 N -2.56 1.86 0.00 1.70 -1.05 -0.32 -4.42 118.70 113.91 4ota s GLU 9 Ca 0.60 1.55 0.00 0.00 -0.15 0.00 0.00 54.97 56.96 4ota s GLU 9 Cb -0.24 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 4ota s GLU 9 CO 0.30 -2.00 0.00 0.41 0.95 0.00 0.00 175.26 174.92 4ota n GLY 10 N -0.06 1.25 3.89 -3.83 0.00 -1.26 -4.94 105.19 100.23 4ota n GLY 10 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 4ota n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ota s ARG 11 N 0.00 3.72 0.68 1.61 3.00 -1.26 -5.07 118.95 121.62 4ota s ARG 11 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 55.73 55.97 4ota s ARG 11 Cb 0.00 -2.44 0.02 0.00 0.00 0.00 0.00 34.95 32.53 4ota s ARG 11 CO 0.00 -0.00 1.03 -1.54 0.00 0.00 0.00 175.30 174.79 4ota s SER 12 N -3.28 5.32 0.43 0.23 1.04 -1.26 -4.93 113.70 111.25 4ota s SER 12 Ca 0.49 0.88 0.10 0.00 0.48 0.00 0.00 55.95 57.90 4ota s SER 12 Cb -0.10 -1.69 0.94 0.00 0.10 0.00 0.00 66.02 65.27 4ota s SER 12 CO 0.33 -1.34 2.04 0.44 0.98 0.00 0.00 173.24 175.69 4ota h ASP 13 N -0.53 0.29 0.02 7.02 5.19 -1.99 -2.61 116.42 123.80 4ota h ASP 13 Ca -0.45 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 4ota h ASP 13 Cb 1.27 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.71 4ota h ASP 13 CO 0.63 0.27 -0.01 -0.33 -3.12 0.00 0.00 179.24 176.67 4ota h GLU 14 N 0.33 -0.03 -0.80 3.56 3.07 -1.99 -1.35 114.58 117.37 4ota h GLU 14 Ca 0.08 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.00 4ota h GLU 14 Cb 0.07 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.93 4ota h GLU 14 CO -0.01 0.19 0.49 1.96 -1.40 0.00 0.00 179.01 180.23 4ota h GLN 15 N -0.24 0.87 -0.03 2.33 4.20 -1.87 -0.89 115.11 119.48 4ota h GLN 15 Ca -0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 4ota h GLN 15 Cb 0.23 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 4ota h GLN 15 CO 0.01 0.57 -0.50 0.87 -0.67 0.00 0.00 178.83 179.11 4ota h LYS 16 N 0.89 0.07 -0.10 1.46 1.57 -1.38 0.07 116.57 119.16 4ota h LYS 16 Ca 0.35 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 4ota h LYS 16 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 4ota h LYS 16 CO -0.17 0.55 -0.50 1.49 -0.57 0.00 0.00 179.45 180.26 4ota h GLU 17 N 0.06 0.26 -0.05 3.15 4.81 -0.22 -1.95 114.58 120.64 4ota h GLU 17 Ca -0.00 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 58.89 4ota h GLU 17 Cb 0.90 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.31 4ota h GLU 17 CO 0.07 0.70 -0.71 1.15 -0.73 0.00 0.00 179.01 179.49 4ota h THR 18 N 0.21 1.35 -0.34 0.32 2.02 -0.83 -2.80 112.91 112.83 4ota h THR 18 Ca 0.01 -2.03 0.05 0.00 0.77 0.00 0.00 66.41 65.21 4ota h THR 18 Cb 0.95 2.34 -0.05 0.00 -1.74 0.00 0.00 68.15 69.65 4ota h THR 18 CO 0.08 0.61 0.07 0.25 0.37 0.00 0.00 175.52 176.90 4ota h LEU 19 N 0.18 0.01 -1.15 2.58 5.85 -0.84 0.74 115.31 122.68 4ota h LEU 19 Ca -0.07 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.70 4ota h LEU 19 Cb 1.37 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 4ota h LEU 19 CO 0.14 0.04 0.51 0.40 -0.34 0.00 0.00 178.44 179.20 4ota h ILE 20 N 0.19 1.22 0.02 4.05 2.04 -1.37 -1.34 117.51 122.32 4ota h ILE 20 Ca 0.16 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 4ota h ILE 20 Cb 0.18 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.32 4ota h ILE 20 CO -0.22 0.22 -0.35 -0.09 0.00 0.00 0.00 178.15 177.72 4ota h ARG 21 N 1.12 0.19 -0.36 2.37 2.43 -1.12 -2.45 114.38 116.56 4ota h ARG 21 Ca 0.30 -0.24 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 4ota h ARG 21 Cb -0.08 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 4ota h ARG 21 CO -0.06 1.01 0.19 0.93 -1.51 0.00 0.00 179.97 180.53 4ota h GLU 22 N -0.51 0.38 -0.49 0.20 4.39 -0.81 -0.76 114.58 116.98 4ota h GLU 22 Ca -0.05 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 4ota h GLU 22 Cb 1.15 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 4ota h GLU 22 CO 0.07 0.25 -0.06 0.28 -1.16 0.00 0.00 179.01 178.39 4ota h VAL 23 N 0.40 1.26 -0.47 3.13 2.07 -1.37 -1.83 116.25 119.43 4ota h VAL 23 Ca 0.15 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 4ota h VAL 23 Cb 0.03 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 4ota h VAL 23 CO -0.09 0.40 0.09 0.28 0.02 0.00 0.00 177.57 178.27 4ota h SER 24 N 0.78 0.67 -0.09 0.57 0.02 -0.91 -1.53 113.55 113.06 4ota h SER 24 Ca 0.14 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 4ota h SER 24 Cb 0.56 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 4ota h SER 24 CO 0.03 0.68 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.96 4ota h GLU 25 N 0.69 0.24 -0.60 3.45 4.39 -0.81 -2.26 114.58 119.68 4ota h GLU 25 Ca 0.15 -0.14 0.09 0.00 0.34 0.00 0.00 59.36 59.81 4ota h GLU 25 Cb 0.30 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 4ota h GLU 25 CO 0.00 0.69 0.23 0.00 -1.16 0.00 0.00 179.01 178.77 4ota h ALA 26 N 0.55 0.78 -0.19 3.43 0.00 -1.16 0.41 119.26 123.08 4ota h ALA 26 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 4ota h ALA 26 Cb 0.66 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 4ota h ALA 26 CO 0.03 -0.18 0.05 0.82 0.00 0.00 0.00 179.25 179.96 4ota h ILE 27 N 0.42 1.20 -0.74 0.00 2.04 -1.29 -1.01 117.51 118.14 4ota h ILE 27 Ca 0.30 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 4ota h ILE 27 Cb 0.36 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 4ota h ILE 27 CO -0.30 0.20 0.40 -1.28 0.00 0.00 0.00 178.15 177.17 4ota h SER 28 N 0.12 0.93 0.48 1.72 0.87 -0.74 -2.48 113.55 114.45 4ota h SER 28 Ca 0.06 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 4ota h SER 28 Cb 0.27 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 4ota h SER 28 CO 0.00 0.76 -0.23 -0.09 -0.53 0.00 0.00 176.83 176.74 4ota h ARG 29 N 1.02 -0.62 -0.81 2.24 2.43 -0.11 -0.49 114.38 118.04 4ota h ARG 29 Ca 0.26 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.56 4ota h ARG 29 Cb 0.05 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 4ota h ARG 29 CO -0.04 -0.33 0.46 0.77 -1.51 0.00 0.00 179.97 179.32 4ota h SER 30 N -0.86 0.65 -0.01 -3.80 0.02 -1.14 -2.81 113.55 105.61 4ota h SER 30 Ca -0.07 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 4ota h SER 30 Cb 0.58 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.04 4ota h SER 30 CO 0.11 0.38 -0.24 0.18 -1.14 0.00 0.00 176.83 176.12 4ota n LEU 31 N -4.75 2.36 -3.65 5.07 4.77 -0.94 -4.97 117.00 114.89 4ota n LEU 31 Ca 0.13 -0.82 -0.25 0.00 -0.03 0.00 0.00 56.01 55.05 4ota n LEU 31 Cb 0.27 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 4ota n LEU 31 CO 0.27 0.41 0.21 -0.67 -1.33 0.00 0.00 177.39 176.28 4ota n ASP 32 N 0.53 -5.68 -4.73 -1.43 -0.08 -0.25 -4.99 116.55 99.93 4ota n ASP 32 Ca 0.12 -0.60 -0.32 0.00 -1.51 0.00 0.00 54.79 52.49 4ota n ASP 32 Cb 0.51 -4.81 -0.08 0.00 2.34 0.00 0.00 41.12 39.08 4ota n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 4ota s ALA 33 N -3.33 3.42 0.17 -1.67 0.00 -0.84 -5.05 121.76 114.47 4ota s ALA 33 Ca 0.55 -0.98 -0.32 0.00 0.00 0.00 0.00 51.96 51.21 4ota s ALA 33 Cb -0.25 -1.39 -0.12 0.00 0.00 0.00 0.00 23.12 21.36 4ota s ALA 33 CO 0.75 0.69 1.71 -0.35 0.00 0.00 0.00 175.76 178.56 4ota n PRO 34 N 0.98 2.58 -0.34 0.00 -0.04 -1.26 -4.60 135.00 132.32 4ota n PRO 34 Ca -0.12 0.93 0.18 0.00 -0.04 0.00 0.00 63.50 64.45 4ota n PRO 34 Cb 0.52 -2.77 0.39 0.00 -0.04 0.00 0.00 33.50 31.61 4ota n PRO 34 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 4ota h LEU 35 N 6.95 0.67 0.00 1.53 5.85 -1.92 0.17 115.31 128.56 4ota h LEU 35 Ca -0.44 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.40 4ota h LEU 35 Cb 1.22 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 4ota h LEU 35 CO 0.94 0.12 0.00 0.35 -0.34 0.00 0.00 178.44 179.51 4ota n THR 36 N -4.85 1.42 0.86 1.05 -2.24 -1.26 -1.71 114.28 107.55 4ota n THR 36 Ca 0.26 0.36 0.11 0.00 -2.27 0.00 0.00 64.05 62.51 4ota n THR 36 Cb 0.74 -1.24 0.07 0.00 -2.10 0.00 0.00 70.33 67.80 4ota n THR 36 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 4ota n SER 37 N -1.46 0.68 -4.72 3.42 3.41 0.05 -4.92 113.62 110.08 4ota n SER 37 Ca 0.02 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.76 4ota n SER 37 Cb 0.07 0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 4ota n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4ota s VAL 38 N -3.06 4.59 -0.10 -3.33 1.01 -0.69 -3.35 120.40 115.46 4ota s VAL 38 Ca 0.08 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.01 4ota s VAL 38 Cb 0.16 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.32 4ota s VAL 38 CO 0.78 0.18 -0.19 -0.13 0.00 0.00 0.00 175.10 175.74 4ota s ARG 39 N 0.77 2.58 -0.05 2.72 3.00 -0.45 -5.00 118.95 122.52 4ota s ARG 39 Ca 0.52 -0.71 0.06 0.00 0.00 0.00 0.00 55.73 55.60 4ota s ARG 39 Cb -0.24 -2.05 -0.01 0.00 0.00 0.00 0.00 34.95 32.66 4ota s ARG 39 CO 0.29 0.06 -0.22 0.08 0.00 0.00 0.00 175.30 175.50 4ota s VAL 40 N 0.64 1.84 -0.14 3.52 1.01 -1.26 -0.11 120.40 125.90 4ota s VAL 40 Ca -0.13 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.91 4ota s VAL 40 Cb -0.16 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.67 4ota s VAL 40 CO 0.03 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 174.85 4ota s ILE 41 N -0.12 1.72 -0.17 2.22 1.01 0.71 -4.97 121.20 121.59 4ota s ILE 41 Ca -0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 4ota s ILE 41 Cb -0.13 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 4ota s ILE 41 CO 0.03 0.48 0.11 -0.63 0.00 0.00 0.00 174.94 174.94 4ota s ILE 42 N 1.13 5.25 -0.20 2.92 1.01 -1.26 -0.53 121.20 129.52 4ota s ILE 42 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.76 4ota s ILE 42 Cb -0.14 -3.36 0.05 0.00 0.01 0.00 0.00 42.46 39.02 4ota s ILE 42 CO -0.06 0.49 -0.06 -0.89 0.00 0.00 0.00 174.94 174.43 4ota s THR 43 N -0.00 1.35 0.22 2.92 2.01 -0.26 -4.95 115.64 116.93 4ota s THR 43 Ca 0.09 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 4ota s THR 43 Cb -0.12 -1.56 -0.08 0.00 0.01 0.00 0.00 72.50 70.75 4ota s THR 43 CO -0.00 0.03 0.77 -1.61 -0.69 0.00 0.00 174.62 173.11 4ota s GLU 44 N 1.50 4.38 -0.05 4.92 2.02 -1.26 -1.97 118.70 128.24 4ota s GLU 44 Ca -0.02 1.01 0.04 0.00 0.02 0.00 0.00 54.97 56.02 4ota s GLU 44 Cb -0.17 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 4ota s GLU 44 CO -0.07 0.42 -0.17 -1.64 0.02 0.00 0.00 175.26 173.81 4ota s MET 45 N -1.79 2.53 0.46 1.61 -1.94 0.18 -4.88 119.30 115.48 4ota s MET 45 Ca 0.42 -0.76 -0.23 0.00 -1.71 0.00 0.00 55.69 53.42 4ota s MET 45 Cb -0.18 -2.32 -0.07 0.00 2.01 0.00 0.00 34.83 34.26 4ota s MET 45 CO 0.23 0.55 1.14 0.00 -0.01 0.00 0.00 175.02 176.93 4ota s ALA 46 N -0.54 2.95 0.58 3.03 0.00 -1.26 -1.18 121.76 125.34 4ota s ALA 46 Ca 0.07 0.89 0.28 0.00 0.00 0.00 0.00 51.96 53.20 4ota s ALA 46 Cb -0.11 -3.36 1.54 0.00 0.00 0.00 0.00 23.12 21.18 4ota s ALA 46 CO 0.01 -0.61 1.99 0.87 0.00 0.00 0.00 175.76 178.02 4ota h LYS 47 N 1.98 0.00 -0.64 0.00 1.57 -1.95 0.18 116.57 117.70 4ota h LYS 47 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 4ota h LYS 47 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 4ota h LYS 47 CO 0.60 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 4ota n GLY 48 N -1.48 2.37 0.25 3.86 0.00 -1.26 -3.47 105.19 105.45 4ota n GLY 48 Ca 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.35 4ota n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4ota n HIS 49 N 1.02 0.14 -3.97 1.61 8.25 0.62 -4.96 115.22 117.95 4ota n HIS 49 Ca 0.23 -0.38 -0.27 0.00 -0.26 0.00 0.00 57.72 57.04 4ota n HIS 49 Cb 0.78 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.69 4ota n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 4ota s PHE 50 N -0.85 1.53 0.07 4.41 5.36 -1.23 -4.87 117.98 122.40 4ota s PHE 50 Ca 0.09 -0.76 0.08 0.00 -0.96 0.00 0.00 56.93 55.37 4ota s PHE 50 Cb 0.05 -1.25 -0.04 0.00 -0.34 0.00 0.00 43.02 41.45 4ota s PHE 50 CO 0.06 -0.51 -0.17 0.20 -1.46 0.00 0.00 175.22 173.34 4ota s GLY 51 N 1.61 1.63 -0.13 13.12 0.00 -1.26 -0.69 107.32 121.60 4ota s GLY 51 Ca 0.03 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 4ota s GLY 51 CO -0.07 -1.17 -0.01 -0.42 0.00 0.00 0.00 173.10 171.43 4ota s ILE 52 N -1.02 0.65 -1.34 0.90 1.01 -0.02 -4.75 121.20 116.63 4ota s ILE 52 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.54 4ota s ILE 52 Cb -0.11 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.47 4ota s ILE 52 CO 0.07 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.74 4ota n GLY 53 N 5.04 0.49 1.44 6.18 0.00 -1.26 -2.43 105.19 114.65 4ota n GLY 53 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.61 4ota n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ota n GLY 54 N -1.10 0.64 2.99 -0.02 0.00 -1.26 -5.05 105.19 101.39 4ota n GLY 54 Ca -0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 4ota n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4ota s GLU 55 N -0.32 0.47 0.34 1.61 2.02 -1.02 -5.08 118.70 116.73 4ota s GLU 55 Ca 0.00 -0.35 -0.26 0.00 0.02 0.00 0.00 54.97 54.38 4ota s GLU 55 Cb 0.00 -0.40 -0.13 0.00 0.10 0.00 0.00 34.13 33.70 4ota s GLU 55 CO 0.00 0.10 0.88 1.28 0.02 0.00 0.00 175.26 177.54 4ota n LEU 56 N 2.53 1.37 0.19 1.80 4.77 -1.26 -0.84 117.00 125.56 4ota n LEU 56 Ca -0.16 1.09 0.03 0.00 -0.03 0.00 0.00 56.01 56.94 4ota n LEU 56 Cb 0.57 -1.24 0.36 0.00 -2.33 0.00 0.00 43.42 40.78 4ota n LEU 56 CO 0.24 -1.85 0.72 0.00 -1.33 0.00 0.00 177.39 175.17 4ota h ALA 57 N 1.56 1.34 -0.42 -1.18 0.00 -1.02 -3.04 119.26 116.50 4ota h ALA 57 Ca -0.40 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.18 4ota h ALA 57 Cb 1.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 4ota h ALA 57 CO 0.58 0.47 0.27 0.66 0.00 0.00 0.00 179.25 181.22 4ota h SER 58 N 0.00 0.45 -0.07 0.00 4.64 -1.81 -2.57 113.55 114.18 4ota h SER 58 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 4ota h SER 58 Cb 0.68 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 4ota h SER 58 CO 0.05 0.32 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 4ota n LYS 59 N -4.82 1.20 0.00 4.77 5.02 -1.15 -5.15 118.16 118.02 4ota n LYS 59 Ca 0.01 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 4ota n LYS 59 Cb 0.04 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 4ota n LYS 59 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43