#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j57 n LYS 2 N 0.00 0.47 -3.56 -0.67 5.02 0.44 -4.85 118.16 115.01 2j57 n LYS 2 Ca 0.00 -0.71 -0.11 0.00 -2.02 0.00 0.00 58.31 55.47 2j57 n LYS 2 Cb 0.00 -0.86 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 2j57 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j57 s ALA 3 N -0.30 -1.45 0.26 7.82 0.00 -1.26 -1.47 121.76 125.36 2j57 s ALA 3 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.26 2j57 s ALA 3 Cb 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 2j57 s ALA 3 CO 0.00 -0.84 -0.09 0.95 0.00 0.00 0.00 175.76 175.78 2j57 s THR 4 N -3.80 1.69 -0.35 0.00 -4.23 -0.12 -4.90 115.64 103.92 2j57 s THR 4 Ca 0.04 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2j57 s THR 4 Cb -0.02 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.59 2j57 s THR 4 CO -0.07 -0.39 0.07 -0.63 -0.54 0.00 0.00 174.62 173.06 2j57 s ILE 5 N -2.99 2.75 0.25 2.99 1.01 -1.26 -0.91 121.20 123.04 2j57 s ILE 5 Ca 0.27 -1.97 -0.07 0.00 0.00 0.00 0.00 60.65 58.88 2j57 s ILE 5 Cb 0.02 -2.84 0.28 0.00 0.01 0.00 0.00 42.46 39.93 2j57 s ILE 5 CO 0.10 -0.47 1.64 -0.65 0.00 0.00 0.00 174.94 175.56 2j57 h PRO 6 N 7.86 0.10 -3.38 2.79 0.11 -1.95 -3.42 132.00 134.12 2j57 h PRO 6 Ca -0.12 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.64 2j57 h PRO 6 Cb 1.04 -0.02 -0.37 0.00 0.11 0.00 0.00 31.00 31.75 2j57 h PRO 6 CO 0.58 0.07 -0.73 0.45 -0.21 0.00 0.00 178.00 178.15 2j57 s SER 7 N -5.19 0.76 0.23 -2.05 0.15 -1.26 -5.05 113.70 101.29 2j57 s SER 7 Ca -0.13 0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.51 2j57 s SER 7 Cb 0.22 -0.11 0.39 0.00 -1.71 0.00 0.00 66.02 64.82 2j57 s SER 7 CO 0.75 -0.21 1.66 -0.08 1.20 0.00 0.00 173.24 176.57 2j57 h GLU 8 N 8.04 0.16 -6.21 5.44 4.57 -1.97 -3.45 114.58 121.17 2j57 h GLU 8 Ca -0.24 -0.01 -0.46 0.00 -1.18 0.00 0.00 59.36 57.47 2j57 h GLU 8 Cb 1.12 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 2j57 h GLU 8 CO 0.26 0.11 -0.43 -1.12 -1.18 0.00 0.00 179.01 176.65 2j57 s SER 9 N -5.22 6.20 0.92 1.04 0.01 -1.26 -4.61 113.70 110.79 2j57 s SER 9 Ca -0.13 0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.03 2j57 s SER 9 Cb 0.21 -1.74 0.15 0.00 0.21 0.00 0.00 66.02 64.85 2j57 s SER 9 CO 0.75 -0.12 1.12 -2.84 0.41 0.00 0.00 173.24 172.57 2j57 s PRO 10 N -3.99 0.95 0.27 12.44 0.02 -1.26 -4.89 135.00 138.54 2j57 s PRO 10 Ca 0.35 1.39 -0.05 0.00 0.02 0.00 0.00 61.00 62.71 2j57 s PRO 10 Cb -0.09 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.69 2j57 s PRO 10 CO 0.29 -2.62 0.38 -0.59 -0.33 0.00 0.00 177.00 174.13 2j57 s PHE 11 N -2.67 0.87 0.23 6.54 -0.71 -0.66 -4.92 117.98 116.66 2j57 s PHE 11 Ca 0.66 -1.13 -0.30 0.00 -1.04 0.00 0.00 56.93 55.13 2j57 s PHE 11 Cb -0.22 -0.13 -0.09 0.00 -1.21 0.00 0.00 43.02 41.37 2j57 s PHE 11 CO 0.58 -0.96 1.22 0.00 -1.34 0.00 0.00 175.22 174.73 2j57 s ALA 12 N -3.68 3.46 0.34 1.99 0.00 -1.26 -0.45 121.76 122.17 2j57 s ALA 12 Ca 0.30 1.02 0.11 0.00 0.00 0.00 0.00 51.96 53.40 2j57 s ALA 12 Cb 0.01 -3.42 0.91 0.00 0.00 0.00 0.00 23.12 20.62 2j57 s ALA 12 CO 0.15 -0.41 1.77 0.00 0.00 0.00 0.00 175.76 177.27 2j57 h ALA 13 N 4.72 1.90 -0.05 0.00 0.00 -1.06 -1.37 119.26 123.40 2j57 h ALA 13 Ca -0.46 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2j57 h ALA 13 Cb 1.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2j57 h ALA 13 CO 0.72 -0.30 0.26 0.00 0.00 0.00 0.00 179.25 179.93 2j57 h ALA 14 N 1.65 1.36 0.00 0.00 0.00 -1.92 -1.93 119.26 118.43 2j57 h ALA 14 Ca 0.59 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.37 2j57 h ALA 14 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2j57 h ALA 14 CO -0.36 -0.28 -0.59 0.93 0.00 0.00 0.00 179.25 178.95 2j57 h GLU 15 N 0.00 0.00 -6.55 0.00 4.39 -1.63 -3.45 114.58 107.35 2j57 h GLU 15 Ca 0.02 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.20 2j57 h GLU 15 Cb 0.53 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.22 2j57 h GLU 15 CO -0.00 0.59 1.01 0.08 -1.16 0.00 0.00 179.01 179.53 2j57 s VAL 16 N -3.49 2.57 0.84 3.13 1.01 -0.73 -4.97 120.40 118.76 2j57 s VAL 16 Ca -0.00 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 2j57 s VAL 16 Cb 0.12 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.44 2j57 s VAL 16 CO 0.75 0.01 1.17 0.00 0.00 0.00 0.00 175.10 177.03 2j57 s ALA 17 N 2.01 2.44 0.33 5.51 0.00 -1.26 -5.04 121.76 125.74 2j57 s ALA 17 Ca 0.75 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 2j57 s ALA 17 Cb -0.45 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2j57 s ALA 17 CO 0.33 -1.84 1.14 -0.51 0.00 0.00 0.00 175.76 174.88 2j57 s ASP 18 N -4.46 6.98 0.00 0.00 1.01 -1.26 -3.73 116.67 115.21 2j57 s ASP 18 Ca 0.63 2.31 0.00 0.00 0.71 0.00 0.00 52.55 56.20 2j57 s ASP 18 Cb -0.12 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2j57 s ASP 18 CO 0.50 -0.35 0.00 0.61 0.21 0.00 0.00 175.17 176.14 2j57 n GLY 19 N 0.91 3.04 3.66 0.21 0.00 -1.26 -4.99 105.19 106.76 2j57 n GLY 19 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2j57 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j57 n ALA 20 N -0.30 0.70 -2.31 4.61 0.00 -1.24 -4.94 120.51 117.03 2j57 n ALA 20 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2j57 n ALA 20 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 2j57 n ALA 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2j57 s ILE 21 N -0.91 3.99 -0.02 0.00 1.01 -1.26 -5.00 121.20 119.01 2j57 s ILE 21 Ca 0.59 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.53 2j57 s ILE 21 Cb -0.63 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.03 2j57 s ILE 21 CO 0.59 -0.05 0.01 -0.69 0.00 0.00 0.00 174.94 174.80 2j57 s VAL 22 N 2.90 0.05 -0.25 2.92 1.01 -1.26 -1.26 120.40 124.52 2j57 s VAL 22 Ca 0.61 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 2j57 s VAL 22 Cb -0.27 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2j57 s VAL 22 CO 0.22 0.08 -0.06 -0.69 0.00 0.00 0.00 175.10 174.65 2j57 s VAL 23 N 0.68 2.86 0.49 2.92 1.01 -0.03 -4.96 120.40 123.37 2j57 s VAL 23 Ca -0.06 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 2j57 s VAL 23 Cb -0.09 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2j57 s VAL 23 CO -0.02 0.18 0.84 -1.81 0.00 0.00 0.00 175.10 174.30 2j57 s ASP 24 N 1.32 6.35 -0.08 3.32 1.01 -1.26 -0.39 116.67 126.93 2j57 s ASP 24 Ca -0.00 1.12 -0.01 0.00 0.71 0.00 0.00 52.55 54.37 2j57 s ASP 24 Cb -0.17 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.46 2j57 s ASP 24 CO -0.04 -0.59 -0.03 -0.63 0.21 0.00 0.00 175.17 174.09 2j57 s ILE 25 N -2.72 0.58 0.14 0.77 1.01 -0.64 -1.12 121.20 119.22 2j57 s ILE 25 Ca 0.51 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.95 2j57 s ILE 25 Cb -0.10 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.72 2j57 s ILE 25 CO 0.42 0.29 0.47 0.00 0.00 0.00 0.00 174.94 176.12 2j57 s ALA 26 N 1.79 -1.12 -1.43 9.38 0.00 -1.08 -1.23 121.76 128.07 2j57 s ALA 26 Ca 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 2j57 s ALA 26 Cb -0.13 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.78 2j57 s ALA 26 CO -0.06 -0.69 0.40 1.63 0.00 0.00 0.00 175.76 177.05 2j57 n LYS 27 N -0.28 -3.66 -2.07 0.00 5.02 -1.26 -1.28 118.16 114.64 2j57 n LYS 27 Ca -0.16 0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 56.68 2j57 n LYS 27 Cb 0.64 -5.51 -0.04 0.00 -0.02 0.00 0.00 35.03 30.10 2j57 n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2j57 n MET 28 N -3.63 -1.57 -4.49 1.97 2.81 -1.26 -5.02 117.12 105.93 2j57 n MET 28 Ca -0.11 1.10 -0.21 0.00 -1.81 0.00 0.00 57.70 56.67 2j57 n MET 28 Cb 0.61 -5.64 -0.14 0.00 -0.71 0.00 0.00 33.22 27.33 2j57 n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2j57 s LYS 29 N -4.51 1.02 0.21 0.03 1.02 -0.40 -4.80 119.74 112.31 2j57 s LYS 29 Ca 0.00 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 2j57 s LYS 29 Cb 0.00 -1.01 -0.08 0.00 -0.52 0.00 0.00 37.83 36.22 2j57 s LYS 29 CO 0.00 0.26 0.97 0.71 -0.92 0.00 0.00 175.35 176.37 2j57 s TYR 30 N -0.57 3.89 0.10 3.18 2.02 -1.26 -2.64 117.35 122.07 2j57 s TYR 30 Ca 0.04 1.85 0.10 0.00 -0.37 0.00 0.00 57.07 58.69 2j57 s TYR 30 Cb -0.06 -3.04 -0.00 0.00 -0.40 0.00 0.00 41.96 38.45 2j57 s TYR 30 CO 0.00 0.24 1.40 0.93 -1.57 0.00 0.00 175.55 176.55 2j57 h GLU 31 N 4.47 0.00 -4.59 -0.62 5.08 -1.46 -3.34 114.58 114.11 2j57 h GLU 31 Ca -0.45 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.23 2j57 h GLU 31 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 2j57 h GLU 31 CO 0.69 0.80 -0.63 -0.08 -1.00 0.00 0.00 179.01 178.79 2j57 s THR 32 N -2.97 2.84 0.43 1.13 -1.32 -1.26 -5.00 115.64 109.49 2j57 s THR 32 Ca 0.01 -2.14 0.25 0.00 -1.21 0.00 0.00 61.69 58.60 2j57 s THR 32 Cb 0.10 -2.98 0.25 0.00 -1.51 0.00 0.00 72.50 68.36 2j57 s THR 32 CO 0.79 -0.62 1.73 -0.65 -2.21 0.00 0.00 174.62 173.66 2j57 h PRO 33 N 7.86 0.00 -3.06 7.08 0.11 -1.85 -3.39 132.00 138.75 2j57 h PRO 33 Ca -0.10 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.57 2j57 h PRO 33 Cb 1.04 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.74 2j57 h PRO 33 CO 0.61 0.00 -0.74 -2.00 -0.21 0.00 0.00 178.00 175.66 2j57 s GLU 34 N -3.85 0.05 -0.17 1.05 2.12 -1.26 -0.97 118.70 115.68 2j57 s GLU 34 Ca -0.03 -0.02 -0.09 0.00 0.36 0.00 0.00 54.97 55.19 2j57 s GLU 34 Cb 0.07 -1.68 -0.05 0.00 0.26 0.00 0.00 34.13 32.74 2j57 s GLU 34 CO 0.23 -0.64 0.13 -1.17 -0.54 0.00 0.00 175.26 173.27 2j57 s LEU 35 N 2.15 4.28 -0.20 2.70 2.96 0.25 -4.96 118.68 125.86 2j57 s LEU 35 Ca 0.02 0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 54.20 2j57 s LEU 35 Cb -0.16 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2j57 s LEU 35 CO -0.08 0.27 0.03 -1.00 -1.32 0.00 0.00 176.35 174.25 2j57 s HIS 36 N -0.18 3.11 0.24 5.38 3.76 -1.26 0.05 115.29 126.40 2j57 s HIS 36 Ca 0.11 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.73 2j57 s HIS 36 Cb -0.11 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 2j57 s HIS 36 CO 0.00 -0.12 0.29 0.14 -0.85 0.00 0.00 174.74 174.20 2j57 s VAL 37 N 0.87 0.00 0.25 -0.90 -7.23 -0.38 -4.98 120.40 108.02 2j57 s VAL 37 Ca 0.02 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.49 2j57 s VAL 37 Cb -0.14 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2j57 s VAL 37 CO 0.02 0.00 0.15 -0.54 -0.31 0.00 0.00 175.10 174.43 2j57 s LYS 38 N -3.91 2.80 0.16 4.82 1.02 -1.26 -0.71 119.74 122.66 2j57 s LYS 38 Ca 0.33 -1.11 -0.34 0.00 0.02 0.00 0.00 55.97 54.88 2j57 s LYS 38 Cb 0.03 -2.49 -0.16 0.00 -0.52 0.00 0.00 37.83 34.69 2j57 s LYS 38 CO 0.14 0.40 1.23 0.28 -0.92 0.00 0.00 175.35 176.48 2j57 n VAL 39 N -1.05 0.69 -0.13 3.17 0.31 -1.26 -1.88 118.33 118.18 2j57 n VAL 39 Ca -0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2j57 n VAL 39 Cb 0.58 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 2j57 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j57 n GLY 40 N 2.16 1.11 3.79 2.92 0.00 0.88 -5.03 105.19 111.02 2j57 n GLY 40 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2j57 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j57 s ASP 41 N -2.90 6.99 -0.15 1.61 1.01 -0.79 -4.79 116.67 117.66 2j57 s ASP 41 Ca 0.00 1.90 -0.08 0.00 0.71 0.00 0.00 52.55 55.08 2j57 s ASP 41 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2j57 s ASP 41 CO 0.00 -0.32 0.13 -0.89 0.21 0.00 0.00 175.17 174.30 2j57 s THR 42 N -1.74 5.45 -0.09 -1.27 2.01 -1.26 -1.54 115.64 117.20 2j57 s THR 42 Ca 0.56 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 2j57 s THR 42 Cb -0.18 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 2j57 s THR 42 CO 0.23 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.99 2j57 s VAL 43 N -0.48 4.02 -0.14 3.82 1.01 0.12 -4.31 120.40 124.44 2j57 s VAL 43 Ca 0.12 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2j57 s VAL 43 Cb -0.12 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2j57 s VAL 43 CO 0.02 0.59 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 2j57 s THR 44 N -0.67 1.62 0.15 3.92 2.01 -0.39 -0.86 115.64 121.43 2j57 s THR 44 Ca 0.10 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 2j57 s THR 44 Cb -0.12 -1.50 -0.07 0.00 0.01 0.00 0.00 72.50 70.82 2j57 s THR 44 CO 0.02 0.47 0.84 0.26 -0.69 0.00 0.00 174.62 175.52 2j57 s TRP 45 N 1.31 3.88 -0.16 4.92 0.51 -0.22 -0.85 118.94 128.34 2j57 s TRP 45 Ca 0.02 1.70 0.00 0.00 -2.12 0.00 0.00 56.10 55.70 2j57 s TRP 45 Cb -0.13 -2.87 0.03 0.00 -0.81 0.00 0.00 33.47 29.68 2j57 s TRP 45 CO -0.08 0.41 -0.11 0.42 -0.51 0.00 0.00 176.95 177.08 2j57 s ILE 46 N -0.78 1.47 -0.27 2.03 1.01 0.47 -1.89 121.20 123.25 2j57 s ILE 46 Ca 0.39 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 2j57 s ILE 46 Cb -0.23 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2j57 s ILE 46 CO 0.28 0.33 1.26 0.21 0.00 0.00 0.00 174.94 177.02 2j57 s ASN 47 N 1.51 6.77 0.02 3.58 2.47 0.01 -1.62 114.94 127.67 2j57 s ASN 47 Ca 0.03 1.30 0.22 0.00 0.42 0.00 0.00 52.86 54.83 2j57 s ASN 47 Cb -0.14 -2.54 -0.11 0.00 -1.45 0.00 0.00 41.25 37.01 2j57 s ASN 47 CO -0.09 -0.98 0.86 0.54 -3.72 0.00 0.00 177.10 173.71 2j57 n ARG 48 N 7.09 0.31 -4.31 0.43 5.12 -0.37 0.79 116.66 125.73 2j57 n ARG 48 Ca 0.14 -0.05 -0.26 0.00 -1.93 0.00 0.00 57.85 55.75 2j57 n ARG 48 Cb 0.46 -1.56 -0.09 0.00 -1.16 0.00 0.00 32.46 30.12 2j57 n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2j57 s GLU 49 N -3.23 2.13 0.10 5.56 -1.05 -1.23 -4.71 118.70 116.28 2j57 s GLU 49 Ca 0.02 -1.95 -0.16 0.00 -0.15 0.00 0.00 54.97 52.73 2j57 s GLU 49 Cb 0.15 -1.86 -0.06 0.00 -0.44 0.00 0.00 34.13 31.92 2j57 s GLU 49 CO 0.84 -0.10 1.49 0.00 0.95 0.00 0.00 175.26 178.44 2j57 h ALA 50 N 1.54 0.44 -1.62 -0.84 0.00 -1.95 -3.10 119.26 113.73 2j57 h ALA 50 Ca -0.43 -0.31 -0.71 0.00 0.00 0.00 0.00 54.91 53.46 2j57 h ALA 50 Cb 1.25 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.96 2j57 h ALA 50 CO 0.74 0.30 0.75 -0.12 0.00 0.00 0.00 179.25 180.92 2j57 n MET 51 N -4.42 1.21 -2.15 0.00 0.00 -1.26 -4.35 117.12 106.15 2j57 n MET 51 Ca -0.03 0.44 -0.37 0.00 0.00 0.00 0.00 57.70 57.75 2j57 n MET 51 Cb 0.35 -2.12 0.01 0.00 0.00 0.00 0.00 33.22 31.46 2j57 n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2j57 s PRO 52 N 2.45 3.47 0.03 2.12 0.02 -1.26 -4.72 135.00 137.11 2j57 s PRO 52 Ca 0.93 1.83 -0.02 0.00 0.02 0.00 0.00 61.00 63.76 2j57 s PRO 52 Cb -1.01 -2.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 2j57 s PRO 52 CO 0.58 -0.80 0.01 -1.01 -0.33 0.00 0.00 177.00 175.45 2j57 s HIS 53 N -1.55 0.28 0.21 6.54 3.76 -0.98 -4.91 115.29 118.64 2j57 s HIS 53 Ca 0.68 -0.61 0.03 0.00 -0.15 0.00 0.00 55.06 55.01 2j57 s HIS 53 Cb -0.30 -0.21 -0.01 0.00 1.11 0.00 0.00 32.58 33.17 2j57 s HIS 53 CO 0.35 -0.28 0.10 0.27 -0.85 0.00 0.00 174.74 174.33 2j57 n ASN 54 N 1.07 0.68 -4.27 1.40 6.94 -1.26 0.96 115.26 120.78 2j57 n ASN 54 Ca -0.21 -2.16 -0.31 0.00 -0.02 0.00 0.00 54.58 51.88 2j57 n ASN 54 Cb 0.57 0.65 -0.16 0.00 -2.36 0.00 0.00 39.78 38.48 2j57 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2j57 s VAL 55 N -2.46 2.03 -0.08 3.53 -7.23 -1.26 -4.37 120.40 110.55 2j57 s VAL 55 Ca 0.14 -1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 59.24 2j57 s VAL 55 Cb 0.01 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.26 2j57 s VAL 55 CO 0.10 0.56 0.01 -2.28 -0.31 0.00 0.00 175.10 173.19 2j57 s HIS 56 N -0.19 0.63 -0.24 2.82 5.04 0.75 -0.80 115.29 123.31 2j57 s HIS 56 Ca -0.03 -0.18 -0.09 0.00 -1.54 0.00 0.00 55.06 53.22 2j57 s HIS 56 Cb -0.13 -0.79 -0.04 0.00 0.04 0.00 0.00 32.58 31.66 2j57 s HIS 56 CO 0.03 -0.34 0.13 -0.06 -2.34 0.00 0.00 174.74 172.16 2j57 s PHE 57 N 1.99 3.23 0.83 3.88 0.40 0.45 -1.51 117.98 127.25 2j57 s PHE 57 Ca 0.04 0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 2j57 s PHE 57 Cb -0.13 -2.25 0.09 0.00 0.51 0.00 0.00 43.02 41.25 2j57 s PHE 57 CO -0.05 -0.06 1.09 0.14 0.70 0.00 0.00 175.22 177.04 2j57 s VAL 58 N 1.19 2.99 0.29 -0.44 -7.23 -1.26 0.41 120.40 116.35 2j57 s VAL 58 Ca 0.06 0.32 -0.28 0.00 -1.81 0.00 0.00 61.98 60.27 2j57 s VAL 58 Cb -0.14 -2.89 -0.14 0.00 0.56 0.00 0.00 36.38 33.77 2j57 s VAL 58 CO 0.05 -0.42 1.06 0.00 -0.31 0.00 0.00 175.10 175.48 2j57 n ALA 59 N -3.65 -0.03 0.00 1.32 0.00 -1.26 -2.02 120.51 114.88 2j57 n ALA 59 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2j57 n ALA 59 Cb 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2j57 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j57 n GLY 60 N 1.21 3.26 0.05 0.00 0.00 0.26 -4.87 105.19 105.11 2j57 n GLY 60 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2j57 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2j57 h VAL 61 N 0.00 0.37 -0.02 1.61 2.07 -1.70 -3.38 116.25 115.20 2j57 h VAL 61 Ca 0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2j57 h VAL 61 Cb 0.00 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2j57 h VAL 61 CO 0.00 0.12 -0.04 0.18 0.02 0.00 0.00 177.57 177.85 2j57 n LEU 62 N -4.74 2.26 0.00 2.57 4.77 -1.26 -4.87 117.00 115.72 2j57 n LEU 62 Ca -0.02 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 2j57 n LEU 62 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2j57 n LEU 62 CO 0.07 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2j57 n GLY 63 N 0.94 -1.70 0.31 -0.72 0.00 -1.26 -0.42 105.19 102.34 2j57 n GLY 63 Ca 0.09 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 2j57 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2j57 h GLU 64 N 0.00 1.08 -6.76 1.61 4.39 -1.96 0.77 114.58 113.72 2j57 h GLU 64 Ca 0.00 -0.25 -0.49 0.00 0.34 0.00 0.00 59.36 58.96 2j57 h GLU 64 Cb 0.00 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2j57 h GLU 64 CO 0.00 0.96 0.18 0.00 -1.16 0.00 0.00 179.01 178.99 2j57 s ALA 65 N -5.34 3.28 0.28 3.43 0.00 -1.26 -2.98 121.76 119.17 2j57 s ALA 65 Ca -0.12 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 2j57 s ALA 65 Cb 0.14 -2.92 -0.14 0.00 0.00 0.00 0.00 23.12 20.20 2j57 s ALA 65 CO 0.84 0.27 1.14 0.00 0.00 0.00 0.00 175.76 178.00 2j57 n ALA 66 N 0.10 0.20 -3.27 0.00 0.00 -1.26 -4.36 120.51 111.91 2j57 n ALA 66 Ca 0.02 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 2j57 n ALA 66 Cb 0.52 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 2j57 n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2j57 s LEU 67 N 0.12 5.65 -0.41 0.00 0.20 0.16 -4.86 118.68 119.54 2j57 s LEU 67 Ca 0.61 -1.65 -0.08 0.00 0.69 0.00 0.00 54.13 53.70 2j57 s LEU 67 Cb -0.68 -2.09 0.08 0.00 -0.43 0.00 0.00 46.19 43.07 2j57 s LEU 67 CO 0.58 -0.68 0.24 -0.75 -0.29 0.00 0.00 176.35 175.45 2j57 s LYS 68 N 1.50 2.51 0.73 1.98 2.20 -1.26 -0.41 119.74 126.99 2j57 s LYS 68 Ca 0.04 -1.51 -0.11 0.00 -0.36 0.00 0.00 55.97 54.03 2j57 s LYS 68 Cb -0.26 -3.73 0.03 0.00 -1.51 0.00 0.00 37.83 32.37 2j57 s LYS 68 CO 0.03 -0.96 1.07 0.20 -0.36 0.00 0.00 175.35 175.33 2j57 s GLY 69 N 2.06 1.65 0.47 5.54 0.00 0.02 -4.99 107.32 112.07 2j57 s GLY 69 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 44.72 44.52 2j57 s GLY 69 CO 0.01 0.34 1.16 2.56 0.00 0.00 0.00 173.10 177.17 2j57 s PRO 70 N -5.08 3.71 0.31 2.90 0.04 -1.26 -4.61 135.00 131.00 2j57 s PRO 70 Ca 0.59 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 2j57 s PRO 70 Cb -0.14 -2.36 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 2j57 s PRO 70 CO 0.55 -0.59 1.43 -1.64 0.04 0.00 0.00 177.00 176.79 2j57 s MET 71 N -2.77 4.24 -0.14 4.56 -1.94 -1.26 -4.57 119.30 117.43 2j57 s MET 71 Ca 0.65 2.37 -0.07 0.00 -1.71 0.00 0.00 55.69 56.93 2j57 s MET 71 Cb -0.28 -3.06 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 2j57 s MET 71 CO 0.34 -0.40 0.10 -1.64 -0.01 0.00 0.00 175.02 173.41 2j57 s MET 72 N -1.21 3.57 0.76 2.03 -1.94 0.27 -4.82 119.30 117.96 2j57 s MET 72 Ca 0.55 -0.23 -0.06 0.00 -1.71 0.00 0.00 55.69 54.24 2j57 s MET 72 Cb -0.43 -3.16 0.12 0.00 2.01 0.00 0.00 34.83 33.36 2j57 s MET 72 CO 0.51 0.61 1.07 0.15 -0.01 0.00 0.00 175.02 177.35 2j57 s LYS 73 N -0.55 1.66 0.11 2.03 1.02 -1.26 -2.32 119.74 120.43 2j57 s LYS 73 Ca 0.12 -0.63 -0.35 0.00 0.02 0.00 0.00 55.97 55.12 2j57 s LYS 73 Cb -0.12 -2.17 -0.17 0.00 -0.52 0.00 0.00 37.83 34.86 2j57 s LYS 73 CO 0.02 -1.56 1.24 1.17 -0.92 0.00 0.00 175.35 175.30 2j57 n LYS 74 N -3.06 1.05 -2.16 1.68 4.81 -1.17 -1.49 118.16 117.81 2j57 n LYS 74 Ca 0.12 0.38 -0.20 0.00 -0.87 0.00 0.00 58.31 57.74 2j57 n LYS 74 Cb 0.60 -1.95 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 2j57 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2j57 n GLU 75 N 2.15 -1.67 -3.88 1.64 -0.58 0.24 -5.01 120.64 113.53 2j57 n GLU 75 Ca 0.17 1.01 -0.22 0.00 -0.42 0.00 0.00 57.16 57.71 2j57 n GLU 75 Cb 0.20 -5.59 -0.04 0.00 -0.57 0.00 0.00 31.44 25.44 2j57 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2j57 s GLN 76 N -4.64 2.62 0.10 3.49 -0.21 -0.56 -0.48 119.66 119.98 2j57 s GLN 76 Ca 0.00 -1.37 -0.07 0.00 0.02 0.00 0.00 55.36 53.94 2j57 s GLN 76 Cb 0.00 -2.39 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 2j57 s GLN 76 CO 0.00 0.09 0.17 0.00 -2.12 0.00 0.00 175.29 173.43 2j57 s ALA 77 N -2.34 -0.03 -0.28 6.09 0.00 0.41 -0.81 121.76 124.79 2j57 s ALA 77 Ca 0.40 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 2j57 s ALA 77 Cb -0.05 0.54 0.08 0.00 0.00 0.00 0.00 23.12 23.70 2j57 s ALA 77 CO 0.26 -0.51 0.73 -0.47 0.00 0.00 0.00 175.76 175.76 2j57 s TYR 78 N -3.90 -0.93 0.25 0.00 5.04 -0.79 -1.65 117.35 115.38 2j57 s TYR 78 Ca 0.08 1.99 0.10 0.00 -2.44 0.00 0.00 57.07 56.80 2j57 s TYR 78 Cb 0.05 0.49 -0.04 0.00 0.35 0.00 0.00 41.96 42.81 2j57 s TYR 78 CO -0.08 -0.46 -0.05 -1.12 -1.34 0.00 0.00 175.55 172.50 2j57 s SER 79 N 1.16 4.33 -0.05 4.32 0.01 -1.26 -1.05 113.70 121.16 2j57 s SER 79 Ca -0.06 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.47 2j57 s SER 79 Cb -0.05 -0.73 0.02 0.00 0.21 0.00 0.00 66.02 65.47 2j57 s SER 79 CO -0.12 0.03 0.12 -0.76 0.41 0.00 0.00 173.24 172.91 2j57 s LEU 80 N -3.48 1.32 -0.21 2.44 1.43 -0.04 -4.26 118.68 115.88 2j57 s LEU 80 Ca 0.30 0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 2j57 s LEU 80 Cb -0.07 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 2j57 s LEU 80 CO 0.18 -0.07 0.07 -0.89 0.23 0.00 0.00 176.35 175.87 2j57 s THR 81 N 0.40 4.58 -0.20 5.49 2.01 -0.09 0.16 115.64 128.00 2j57 s THR 81 Ca -0.03 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 2j57 s THR 81 Cb -0.04 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 2j57 s THR 81 CO -0.02 0.40 0.25 -0.36 -0.69 0.00 0.00 174.62 174.20 2j57 s PHE 82 N 0.92 3.40 -1.29 4.92 0.40 -0.59 -0.95 117.98 124.78 2j57 s PHE 82 Ca 0.04 0.45 0.12 0.00 -0.60 0.00 0.00 56.93 56.94 2j57 s PHE 82 Cb -0.14 -2.32 0.04 0.00 0.51 0.00 0.00 43.02 41.11 2j57 s PHE 82 CO 0.03 0.16 0.78 0.25 0.70 0.00 0.00 175.22 177.14 2j57 n THR 83 N 3.89 0.00 -3.77 0.64 -2.24 -0.54 -0.08 114.28 112.18 2j57 n THR 83 Ca -0.13 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2j57 n THR 83 Cb 0.52 1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 69.81 2j57 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2j57 s GLU 84 N -1.34 0.16 0.23 -0.78 2.12 -1.24 -4.77 118.70 113.09 2j57 s GLU 84 Ca 0.12 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.50 2j57 s GLU 84 Cb 0.10 -0.06 -0.13 0.00 0.26 0.00 0.00 34.13 34.30 2j57 s GLU 84 CO 0.24 -0.11 1.47 0.00 -0.54 0.00 0.00 175.26 176.33 2j57 n ALA 85 N 3.75 1.42 0.00 6.30 0.00 -1.26 -4.83 120.51 125.89 2j57 n ALA 85 Ca -0.21 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2j57 n ALA 85 Cb 0.55 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2j57 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j57 n GLY 86 N 2.42 -1.57 3.03 0.00 0.00 -0.32 -4.97 105.19 103.77 2j57 n GLY 86 Ca 0.12 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 2j57 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j57 s THR 87 N -2.83 1.35 -0.19 2.61 2.01 -1.26 -1.28 115.64 116.05 2j57 s THR 87 Ca 0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2j57 s THR 87 Cb 0.00 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.31 2j57 s THR 87 CO 0.00 0.41 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.95 2j57 s TYR 88 N 0.98 2.16 0.30 4.92 2.02 0.70 -4.99 117.35 123.44 2j57 s TYR 88 Ca -0.08 -1.42 -0.08 0.00 -0.37 0.00 0.00 57.07 55.12 2j57 s TYR 88 Cb -0.15 -1.52 -0.06 0.00 -0.40 0.00 0.00 41.96 39.83 2j57 s TYR 88 CO -0.01 -0.70 0.61 -0.51 -1.57 0.00 0.00 175.55 173.37 2j57 s ASP 89 N 1.48 6.54 0.13 2.29 1.01 -1.26 -1.37 116.67 125.49 2j57 s ASP 89 Ca -0.01 0.90 -0.07 0.00 0.71 0.00 0.00 52.55 54.08 2j57 s ASP 89 Cb -0.16 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 2j57 s ASP 89 CO -0.08 -0.20 0.21 -0.72 0.21 0.00 0.00 175.17 174.59 2j57 s TYR 90 N -2.06 0.39 0.33 4.23 1.13 -0.67 -4.57 117.35 116.12 2j57 s TYR 90 Ca 0.47 -0.78 0.04 0.00 -1.41 0.00 0.00 57.07 55.39 2j57 s TYR 90 Cb -0.11 -0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 2j57 s TYR 90 CO 0.27 -0.62 0.32 -3.38 -2.51 0.00 0.00 175.55 169.63 2j57 s HIS 91 N -3.94 1.54 -0.22 -3.49 -3.43 -0.57 -0.92 115.29 104.27 2j57 s HIS 91 Ca 0.14 -1.55 -0.08 0.00 -0.80 0.00 0.00 55.06 52.77 2j57 s HIS 91 Cb 0.05 -0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 30.62 2j57 s HIS 91 CO -0.04 -0.93 0.09 0.00 -2.00 0.00 0.00 174.74 171.86 2j57 h THR 93 N 5.12 0.42 0.00 0.00 2.02 -1.93 0.43 112.91 118.97 2j57 h THR 93 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2j57 h THR 93 Cb 1.17 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2j57 h THR 93 CO 0.65 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.73 2j57 n PRO 94 N -5.37 0.20 -3.36 6.66 -0.04 -1.26 -4.34 135.00 127.48 2j57 n PRO 94 Ca -0.05 0.44 -0.26 0.00 -0.04 0.00 0.00 63.50 63.59 2j57 n PRO 94 Cb 0.28 -1.89 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 2j57 n PRO 94 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2j57 n HIS 95 N -2.26 0.87 0.30 0.54 8.25 0.15 -4.96 115.22 118.10 2j57 n HIS 95 Ca 0.02 -3.73 0.14 0.00 -0.26 0.00 0.00 57.72 53.89 2j57 n HIS 95 Cb 0.22 -0.31 0.67 0.00 1.12 0.00 0.00 29.99 31.69 2j57 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2j57 h PRO 96 N 4.50 0.00 0.00 -0.41 0.11 -1.71 0.26 132.00 134.76 2j57 h PRO 96 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2j57 h PRO 96 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2j57 h PRO 96 CO 0.56 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.32 2j57 n PHE 97 N -2.53 0.66 -3.33 0.65 1.16 -1.26 -4.51 117.46 108.30 2j57 n PHE 97 Ca -0.00 0.29 -0.42 0.00 -1.87 0.00 0.00 57.45 55.45 2j57 n PHE 97 Cb 0.16 -0.97 -0.09 0.00 -1.61 0.00 0.00 39.48 36.97 2j57 n PHE 97 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 2j57 s MET 98 N -3.35 3.35 0.01 3.97 -1.94 0.92 -5.04 119.30 117.22 2j57 s MET 98 Ca 0.02 -0.53 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 2j57 s MET 98 Cb 0.08 -3.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.01 2j57 s MET 98 CO 0.28 -0.71 -0.12 1.03 -0.01 0.00 0.00 175.02 175.49 2j57 s ARG 99 N 2.16 0.88 0.20 2.03 0.52 -1.26 -2.00 118.95 121.49 2j57 s ARG 99 Ca 0.13 -0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2j57 s ARG 99 Cb -0.16 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.42 2j57 s ARG 99 CO 0.13 0.22 0.19 0.20 0.02 0.00 0.00 175.30 176.06 2j57 s GLY 100 N -0.71 1.19 0.01 -3.53 0.00 -0.10 -4.72 107.32 99.46 2j57 s GLY 100 Ca 0.02 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.23 2j57 s GLY 100 CO 0.00 -1.24 0.02 -1.59 0.00 0.00 0.00 173.10 170.30 2j57 s LYS 101 N -4.11 0.25 -0.20 2.90 -2.85 -0.14 -1.67 119.74 113.91 2j57 s LYS 101 Ca 0.33 -0.36 -0.05 0.00 -1.00 0.00 0.00 55.97 54.90 2j57 s LYS 101 Cb 0.06 0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 2j57 s LYS 101 CO 0.10 -0.05 -0.00 0.08 0.10 0.00 0.00 175.35 175.58 2j57 s VAL 102 N -0.96 3.87 -0.33 1.79 1.01 -0.47 -0.58 120.40 124.73 2j57 s VAL 102 Ca -0.11 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 2j57 s VAL 102 Cb -0.06 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2j57 s VAL 102 CO -0.00 0.42 0.13 -0.69 0.00 0.00 0.00 175.10 174.96 2j57 s VAL 103 N 1.10 4.25 -0.19 2.92 1.01 0.11 -0.21 120.40 129.38 2j57 s VAL 103 Ca 0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2j57 s VAL 103 Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2j57 s VAL 103 CO 0.01 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.30 2j57 s VAL 104 N 1.53 3.18 -1.30 2.92 1.01 -0.40 -1.26 120.40 126.09 2j57 s VAL 104 Ca 0.02 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.53 2j57 s VAL 104 Cb -0.18 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 33.87 2j57 s VAL 104 CO 0.04 0.46 0.83 -0.62 0.00 0.00 0.00 175.10 175.82