#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 3.12 -3.48 -0.67 5.02 0.35 -4.93 118.16 117.57 2j57 n LYS 2 Ca 0.00 -2.54 -0.12 0.00 -2.02 0.00 0.00 58.31 53.63 2j57 n LYS 2 Cb 0.00 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 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 -1.85 -1.73 0.27 7.82 0.00 -1.26 -1.08 121.76 123.93 2j57 s ALA 3 Ca 0.37 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.34 2j57 s ALA 3 Cb 0.25 0.38 -0.06 0.00 0.00 0.00 0.00 23.12 23.69 2j57 s ALA 3 CO 0.16 -0.60 -0.06 0.95 0.00 0.00 0.00 175.76 176.20 2j57 s THR 4 N -2.68 1.60 -0.38 0.00 -4.23 0.24 -4.94 115.64 105.24 2j57 s THR 4 Ca -0.01 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 2j57 s THR 4 Cb -0.01 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.52 2j57 s THR 4 CO -0.05 -0.32 0.14 -0.63 -0.54 0.00 0.00 174.62 173.22 2j57 s ILE 5 N -3.04 2.82 0.25 2.99 1.01 -1.26 -0.56 121.20 123.41 2j57 s ILE 5 Ca 0.29 -2.21 -0.03 0.00 0.00 0.00 0.00 60.65 58.69 2j57 s ILE 5 Cb 0.04 -2.99 0.22 0.00 0.01 0.00 0.00 42.46 39.73 2j57 s ILE 5 CO 0.11 -0.65 1.73 -0.65 0.00 0.00 0.00 174.94 175.48 2j57 h PRO 6 N 7.82 0.46 -3.92 2.79 0.11 -1.94 -3.40 132.00 133.92 2j57 h PRO 6 Ca -0.09 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.54 2j57 h PRO 6 Cb 1.03 -0.10 -0.37 0.00 0.11 0.00 0.00 31.00 31.67 2j57 h PRO 6 CO 0.62 0.30 -0.78 0.45 -0.21 0.00 0.00 178.00 178.38 2j57 s SER 7 N -5.35 1.55 0.13 -2.05 0.15 -1.26 -5.05 113.70 101.82 2j57 s SER 7 Ca -0.12 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.24 2j57 s SER 7 Cb 0.21 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2j57 s SER 7 CO 0.77 -0.14 1.57 -0.08 1.20 0.00 0.00 173.24 176.56 2j57 h GLU 8 N 7.96 0.72 -6.67 5.44 4.57 -1.96 -3.43 114.58 121.21 2j57 h GLU 8 Ca -0.27 -0.23 -0.46 0.00 -1.18 0.00 0.00 59.36 57.22 2j57 h GLU 8 Cb 1.13 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2j57 h GLU 8 CO 0.35 0.81 -0.11 -1.12 -1.18 0.00 0.00 179.01 177.76 2j57 s SER 9 N -6.23 5.95 0.47 1.04 0.01 -1.26 -4.74 113.70 108.94 2j57 s SER 9 Ca -0.13 0.35 -0.22 0.00 1.31 0.00 0.00 55.95 57.25 2j57 s SER 9 Cb 0.10 -1.67 -0.07 0.00 0.21 0.00 0.00 66.02 64.59 2j57 s SER 9 CO 0.80 -0.61 1.15 -2.84 0.41 0.00 0.00 173.24 172.15 2j57 s PRO 10 N -4.51 3.73 0.21 12.44 0.02 -1.26 -4.86 135.00 140.76 2j57 s PRO 10 Ca 0.47 1.73 0.10 0.00 0.02 0.00 0.00 61.00 63.31 2j57 s PRO 10 Cb -0.10 -2.35 -0.05 0.00 0.02 0.00 0.00 34.50 32.02 2j57 s PRO 10 CO 0.38 -0.57 -0.18 -0.59 -0.33 0.00 0.00 177.00 175.71 2j57 s PHE 11 N -1.59 1.99 0.13 6.54 -0.71 0.89 -4.85 117.98 120.37 2j57 s PHE 11 Ca 0.65 -0.44 -0.35 0.00 -1.04 0.00 0.00 56.93 55.74 2j57 s PHE 11 Cb -0.27 -0.93 -0.15 0.00 -1.21 0.00 0.00 43.02 40.46 2j57 s PHE 11 CO 0.33 0.47 1.48 0.00 -1.34 0.00 0.00 175.22 176.16 2j57 n ALA 12 N -0.15 0.43 0.32 1.99 0.00 -1.26 0.58 120.51 122.42 2j57 n ALA 12 Ca -0.09 0.47 0.20 0.00 0.00 0.00 0.00 53.44 54.02 2j57 n ALA 12 Cb 0.59 -2.24 1.04 0.00 0.00 0.00 0.00 19.45 18.84 2j57 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j57 h ALA 13 N 5.37 1.25 -0.00 0.00 0.00 -1.44 -1.89 119.26 122.56 2j57 h ALA 13 Ca -0.46 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2j57 h ALA 13 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2j57 h ALA 13 CO 0.84 -0.13 -0.63 0.00 0.00 0.00 0.00 179.25 179.33 2j57 h ALA 14 N 1.80 0.95 0.00 0.00 0.00 -1.90 -3.12 119.26 116.99 2j57 h ALA 14 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2j57 h ALA 14 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2j57 h ALA 14 CO -0.00 0.79 0.00 0.39 0.00 0.00 0.00 179.25 180.43 2j57 n GLU 15 N -3.79 0.18 -2.53 0.00 -0.58 -0.71 -4.85 120.64 108.37 2j57 n GLU 15 Ca -0.01 0.10 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 2j57 n GLU 15 Cb 0.63 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.97 2j57 n GLU 15 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2j57 s VAL 16 N -2.75 4.43 0.70 2.62 1.01 -1.18 -5.02 120.40 120.21 2j57 s VAL 16 Ca 0.17 1.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 2j57 s VAL 16 Cb 0.15 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2j57 s VAL 16 CO 0.36 -0.01 1.24 0.00 0.00 0.00 0.00 175.10 176.69 2j57 s ALA 17 N 2.21 2.19 0.83 5.51 0.00 -1.26 -5.02 121.76 126.23 2j57 s ALA 17 Ca 0.53 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 2j57 s ALA 17 Cb -0.22 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.49 2j57 s ALA 17 CO 0.20 -1.80 1.18 0.16 0.00 0.00 0.00 175.76 175.50 2j57 s ASP 18 N -1.79 4.29 0.00 0.00 3.84 -1.26 -3.37 116.67 118.38 2j57 s ASP 18 Ca 0.77 0.79 0.00 0.00 -0.00 0.00 0.00 52.55 54.12 2j57 s ASP 18 Cb -0.32 -1.28 0.00 0.00 -1.38 0.00 0.00 42.92 39.93 2j57 s ASP 18 CO 0.43 -2.04 0.00 0.61 -0.00 0.00 0.00 175.17 174.17 2j57 n GLY 19 N -3.15 0.13 3.75 2.12 0.00 -1.26 -4.98 105.19 101.80 2j57 n GLY 19 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2j57 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j57 s ALA 20 N -1.18 2.74 -0.15 4.61 0.00 -1.22 -4.96 121.76 121.60 2j57 s ALA 20 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 2j57 s ALA 20 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2j57 s ALA 20 CO 0.00 -1.23 1.30 0.42 0.00 0.00 0.00 175.76 176.25 2j57 s ILE 21 N -1.41 4.22 -0.05 0.00 1.01 -1.26 -5.01 121.20 118.69 2j57 s ILE 21 Ca 0.73 1.47 0.03 0.00 0.00 0.00 0.00 60.65 62.88 2j57 s ILE 21 Cb -0.36 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.16 2j57 s ILE 21 CO 0.41 -0.13 -0.14 -0.69 0.00 0.00 0.00 174.94 174.39 2j57 s VAL 22 N 3.50 1.26 -0.35 2.92 1.01 -1.26 -1.44 120.40 126.05 2j57 s VAL 22 Ca 0.56 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 2j57 s VAL 22 Cb -0.23 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2j57 s VAL 22 CO 0.16 0.38 0.18 -0.69 0.00 0.00 0.00 175.10 175.13 2j57 s VAL 23 N 0.36 4.52 0.52 2.92 1.01 0.20 -4.95 120.40 124.97 2j57 s VAL 23 Ca -0.10 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2j57 s VAL 23 Cb -0.14 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2j57 s VAL 23 CO 0.03 -0.13 1.05 -1.81 0.00 0.00 0.00 175.10 174.24 2j57 s ASP 24 N 1.56 6.15 -0.12 3.32 1.01 -1.26 -0.60 116.67 126.73 2j57 s ASP 24 Ca 0.03 1.94 0.01 0.00 0.71 0.00 0.00 52.55 55.23 2j57 s ASP 24 Cb -0.18 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.21 2j57 s ASP 24 CO 0.06 -0.92 -0.12 -0.63 0.21 0.00 0.00 175.17 173.77 2j57 s ILE 25 N -2.05 1.33 0.08 0.77 1.01 -0.05 -0.99 121.20 121.30 2j57 s ILE 25 Ca 0.67 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.55 2j57 s ILE 25 Cb -0.17 -1.26 0.09 0.00 0.01 0.00 0.00 42.46 41.12 2j57 s ILE 25 CO 0.24 0.41 0.77 0.00 0.00 0.00 0.00 174.94 176.36 2j57 s ALA 26 N 1.31 -1.71 -1.52 9.38 0.00 -1.02 0.01 121.76 128.21 2j57 s ALA 26 Ca -0.01 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 2j57 s ALA 26 Cb -0.14 0.63 0.08 0.00 0.00 0.00 0.00 23.12 23.69 2j57 s ALA 26 CO -0.06 -0.74 1.01 1.63 0.00 0.00 0.00 175.76 177.60 2j57 n LYS 27 N -0.31 -5.81 -3.09 0.00 5.02 -1.26 -2.14 118.16 110.57 2j57 n LYS 27 Ca -0.12 0.62 -0.23 0.00 -2.02 0.00 0.00 58.31 56.57 2j57 n LYS 27 Cb 0.63 -5.54 0.03 0.00 -0.02 0.00 0.00 35.03 30.14 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 -4.73 -4.91 -3.54 1.97 2.81 -1.26 -5.00 117.12 102.46 2j57 n MET 28 Ca 0.04 0.86 -0.11 0.00 -1.81 0.00 0.00 57.70 56.68 2j57 n MET 28 Cb 0.53 -5.72 -0.04 0.00 -0.71 0.00 0.00 33.22 27.28 2j57 n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2j57 s LYS 29 N -5.78 1.15 -0.31 0.03 -2.85 -0.91 -4.77 119.74 106.31 2j57 s LYS 29 Ca 0.33 -0.57 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 2j57 s LYS 29 Cb -0.15 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 2j57 s LYS 29 CO 0.41 -0.47 1.12 0.71 0.10 0.00 0.00 175.35 177.22 2j57 s TYR 30 N -3.67 3.06 0.17 1.78 2.02 -1.26 -2.44 117.35 117.01 2j57 s TYR 30 Ca 0.01 1.13 0.35 0.00 -0.37 0.00 0.00 57.07 58.20 2j57 s TYR 30 Cb 0.00 -3.73 1.52 0.00 -0.40 0.00 0.00 41.96 39.36 2j57 s TYR 30 CO -0.12 -0.96 2.04 0.93 -1.57 0.00 0.00 175.55 175.87 2j57 h GLU 31 N 8.29 0.00 -2.95 -0.62 5.08 -1.40 -3.20 114.58 119.78 2j57 h GLU 31 Ca -0.22 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.53 2j57 h GLU 31 Cb 1.07 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.91 2j57 h GLU 31 CO 1.03 0.00 -0.65 0.99 -1.00 0.00 0.00 179.01 179.38 2j57 s THR 32 N -3.73 2.36 0.40 1.13 2.01 -1.26 -4.97 115.64 111.59 2j57 s THR 32 Ca 0.00 -3.90 0.15 0.00 0.31 0.00 0.00 61.69 58.25 2j57 s THR 32 Cb 0.10 -2.56 0.15 0.00 0.01 0.00 0.00 72.50 70.19 2j57 s THR 32 CO 0.52 -1.04 1.92 1.55 -0.69 0.00 0.00 174.62 176.87 2j57 h PRO 33 N 5.51 0.00 -4.39 4.92 0.13 -1.86 -3.36 132.00 132.95 2j57 h PRO 33 Ca 0.16 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.63 2j57 h PRO 33 Cb 0.79 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.52 2j57 h PRO 33 CO 0.65 0.27 -0.70 -2.00 -0.23 0.00 0.00 178.00 175.99 2j57 s GLU 34 N -4.35 1.60 -0.24 0.86 2.12 -1.26 -1.09 118.70 116.34 2j57 s GLU 34 Ca -0.03 -2.05 -0.10 0.00 0.36 0.00 0.00 54.97 53.15 2j57 s GLU 34 Cb 0.15 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 2j57 s GLU 34 CO 0.70 -0.98 0.14 -1.17 -0.54 0.00 0.00 175.26 173.41 2j57 s LEU 35 N 0.62 4.01 -0.35 2.70 2.96 -0.98 -5.00 118.68 122.65 2j57 s LEU 35 Ca 0.12 0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.98 2j57 s LEU 35 Cb -0.21 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 2j57 s LEU 35 CO -0.06 0.06 0.23 -1.00 -1.32 0.00 0.00 176.35 174.26 2j57 s HIS 36 N 1.05 3.22 0.46 5.38 3.76 -1.26 0.66 115.29 128.57 2j57 s HIS 36 Ca 0.07 -0.38 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 2j57 s HIS 36 Cb -0.14 -2.46 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 2j57 s HIS 36 CO 0.04 -0.43 0.12 0.14 -0.85 0.00 0.00 174.74 173.76 2j57 s VAL 37 N 1.68 1.78 0.14 -0.90 -7.23 0.75 -4.95 120.40 111.67 2j57 s VAL 37 Ca 0.05 -1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 2j57 s VAL 37 Cb -0.18 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 2j57 s VAL 37 CO 0.09 0.00 0.36 -0.54 -0.31 0.00 0.00 175.10 174.70 2j57 s LYS 38 N -3.91 3.58 0.11 4.82 1.02 -1.26 -0.40 119.74 123.69 2j57 s LYS 38 Ca 0.28 -0.17 -0.35 0.00 0.02 0.00 0.00 55.97 55.74 2j57 s LYS 38 Cb 0.04 -2.87 -0.18 0.00 -0.52 0.00 0.00 37.83 34.30 2j57 s LYS 38 CO 0.15 0.47 1.01 0.28 -0.92 0.00 0.00 175.35 176.35 2j57 n VAL 39 N -0.00 0.72 0.00 3.17 0.31 -1.26 -1.87 118.33 119.40 2j57 n VAL 39 Ca -0.03 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2j57 n VAL 39 Cb 0.52 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 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 1.87 3.07 3.66 2.92 0.00 0.87 -5.02 105.19 112.57 2j57 n GLY 40 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2j57 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j57 n ASP 41 N 0.10 2.35 -4.65 1.61 8.00 -0.78 -4.60 116.55 118.58 2j57 n ASP 41 Ca 0.00 1.19 -0.37 0.00 0.71 0.00 0.00 54.79 56.32 2j57 n ASP 41 Cb 0.00 -1.42 -0.09 0.00 -0.02 0.00 0.00 41.12 39.59 2j57 n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2j57 s THR 42 N -0.94 5.28 -0.15 -3.53 2.01 -1.26 -1.17 115.64 115.88 2j57 s THR 42 Ca 0.58 0.41 -0.11 0.00 0.31 0.00 0.00 61.69 62.88 2j57 s THR 42 Cb -0.62 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 2j57 s THR 42 CO 0.60 0.28 0.21 -0.69 -0.69 0.00 0.00 174.62 174.34 2j57 s VAL 43 N 1.31 5.36 -0.26 3.82 1.01 0.14 -4.17 120.40 127.61 2j57 s VAL 43 Ca 0.12 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2j57 s VAL 43 Cb -0.14 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.76 2j57 s VAL 43 CO 0.07 0.48 -0.11 -0.89 0.00 0.00 0.00 175.10 174.64 2j57 s THR 44 N -0.05 2.21 0.09 3.92 2.01 -0.52 -0.25 115.64 123.05 2j57 s THR 44 Ca 0.14 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 2j57 s THR 44 Cb -0.12 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 2j57 s THR 44 CO 0.03 0.01 1.04 0.26 -0.69 0.00 0.00 174.62 175.27 2j57 s TRP 45 N 1.12 3.65 -0.07 4.92 0.51 -0.31 -0.63 118.94 128.12 2j57 s TRP 45 Ca -0.08 1.63 0.04 0.00 -2.12 0.00 0.00 56.10 55.57 2j57 s TRP 45 Cb -0.19 -3.19 0.00 0.00 -0.81 0.00 0.00 33.47 29.27 2j57 s TRP 45 CO -0.05 -0.32 -0.20 0.42 -0.51 0.00 0.00 176.95 176.29 2j57 s ILE 46 N 0.43 1.68 -0.25 2.03 1.01 0.23 -1.40 121.20 124.93 2j57 s ILE 46 Ca 0.51 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 2j57 s ILE 46 Cb -0.25 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2j57 s ILE 46 CO 0.30 0.48 0.80 0.21 0.00 0.00 0.00 174.94 176.73 2j57 s ASN 47 N 0.29 6.78 0.00 3.58 2.47 -0.26 -0.87 114.94 126.93 2j57 s ASN 47 Ca -0.13 0.95 0.23 0.00 0.42 0.00 0.00 52.86 54.33 2j57 s ASN 47 Cb -0.15 -2.42 0.09 0.00 -1.45 0.00 0.00 41.25 37.32 2j57 s ASN 47 CO 0.05 -0.51 1.13 0.54 -3.72 0.00 0.00 177.10 174.59 2j57 n ARG 48 N 6.00 0.25 -4.51 0.43 5.12 0.10 0.66 116.66 124.71 2j57 n ARG 48 Ca 0.05 -0.19 -0.29 0.00 -1.93 0.00 0.00 57.85 55.49 2j57 n ARG 48 Cb 0.48 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.19 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 -2.88 2.09 0.11 5.56 -1.05 -1.25 -4.64 118.70 116.64 2j57 s GLU 49 Ca 0.12 -2.13 -0.07 0.00 -0.15 0.00 0.00 54.97 52.74 2j57 s GLU 49 Cb 0.17 -1.71 -0.15 0.00 -0.44 0.00 0.00 34.13 32.01 2j57 s GLU 49 CO 0.75 -0.18 1.26 0.00 0.95 0.00 0.00 175.26 178.04 2j57 h ALA 50 N 1.53 0.28 -1.10 -0.84 0.00 -1.94 -3.25 119.26 113.93 2j57 h ALA 50 Ca -0.43 -0.73 -0.72 0.00 0.00 0.00 0.00 54.91 53.03 2j57 h ALA 50 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2j57 h ALA 50 CO 0.76 0.80 1.18 -0.12 0.00 0.00 0.00 179.25 181.87 2j57 n MET 51 N -3.75 0.92 -1.66 0.00 0.00 -1.26 -4.40 117.12 106.97 2j57 n MET 51 Ca -0.08 0.30 -0.36 0.00 0.00 0.00 0.00 57.70 57.55 2j57 n MET 51 Cb 0.87 -2.15 0.07 0.00 0.00 0.00 0.00 33.22 32.02 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 5.06 2.43 0.07 2.12 0.02 -1.26 -4.85 135.00 138.59 2j57 s PRO 52 Ca 1.07 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 63.94 2j57 s PRO 52 Cb -1.06 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 31.64 2j57 s PRO 52 CO 0.59 -1.67 0.29 -1.01 -0.33 0.00 0.00 177.00 174.88 2j57 s HIS 53 N -1.55 -0.05 0.08 6.54 3.76 -1.10 -4.95 115.29 118.02 2j57 s HIS 53 Ca 0.80 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.52 2j57 s HIS 53 Cb -0.35 0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.42 2j57 s HIS 53 CO 0.41 -0.56 0.08 0.27 -0.85 0.00 0.00 174.74 174.10 2j57 n ASN 54 N 0.22 -0.22 -4.29 1.40 6.94 -1.26 0.62 115.26 118.67 2j57 n ASN 54 Ca -0.17 -1.53 -0.28 0.00 -0.02 0.00 0.00 54.58 52.58 2j57 n ASN 54 Cb 0.61 0.48 -0.15 0.00 -2.36 0.00 0.00 39.78 38.37 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 -2.39 1.90 -0.17 3.53 -7.23 -1.26 -4.31 120.40 110.47 2j57 s VAL 55 Ca 0.09 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 2j57 s VAL 55 Cb 0.00 -1.63 0.08 0.00 0.56 0.00 0.00 36.38 35.40 2j57 s VAL 55 CO 0.07 0.32 0.27 -2.28 -0.31 0.00 0.00 175.10 173.17 2j57 s HIS 56 N -0.76 -0.45 -0.22 2.82 5.04 -0.39 -0.68 115.29 120.64 2j57 s HIS 56 Ca 0.10 0.75 -0.06 0.00 -1.54 0.00 0.00 55.06 54.31 2j57 s HIS 56 Cb -0.09 -0.11 -0.03 0.00 0.04 0.00 0.00 32.58 32.39 2j57 s HIS 56 CO 0.02 -0.49 0.03 -0.06 -2.34 0.00 0.00 174.74 171.90 2j57 s PHE 57 N 2.42 3.07 0.90 3.88 0.40 -0.58 -1.12 117.98 126.94 2j57 s PHE 57 Ca 0.04 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2j57 s PHE 57 Cb -0.14 -2.15 0.13 0.00 0.51 0.00 0.00 43.02 41.38 2j57 s PHE 57 CO -0.11 -0.26 1.10 0.14 0.70 0.00 0.00 175.22 176.78 2j57 s VAL 58 N 1.21 2.63 0.35 -0.44 -7.23 -1.26 -0.45 120.40 115.21 2j57 s VAL 58 Ca 0.04 0.20 -0.26 0.00 -1.81 0.00 0.00 61.98 60.15 2j57 s VAL 58 Cb -0.14 -2.54 -0.12 0.00 0.56 0.00 0.00 36.38 34.13 2j57 s VAL 58 CO 0.02 -0.27 1.02 0.00 -0.31 0.00 0.00 175.10 175.56 2j57 n ALA 59 N -3.99 0.04 0.00 1.32 0.00 -1.26 -2.45 120.51 114.17 2j57 n ALA 59 Ca 0.08 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2j57 n ALA 59 Cb 0.54 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 1.18 2.97 0.12 0.00 0.00 -0.73 -4.87 105.19 103.86 2j57 n GLY 60 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.70 -0.01 1.61 2.07 -1.78 -3.35 116.25 115.49 2j57 h VAL 61 Ca 0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2j57 h VAL 61 Cb 0.00 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2j57 h VAL 61 CO 0.00 0.20 -0.53 0.18 0.02 0.00 0.00 177.57 177.44 2j57 n LEU 62 N -4.88 1.73 0.00 2.57 4.77 -1.26 -4.84 117.00 115.09 2j57 n LEU 62 Ca -0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2j57 n LEU 62 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2j57 n LEU 62 CO 0.20 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2j57 n GLY 63 N 1.36 -1.19 0.20 -0.72 0.00 -1.26 0.13 105.19 103.72 2j57 n GLY 63 Ca 0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 0.65 -6.73 1.61 5.08 -1.97 -1.95 114.58 111.28 2j57 h GLU 64 Ca 0.00 -0.40 -0.50 0.00 -1.00 0.00 0.00 59.36 57.46 2j57 h GLU 64 Cb 0.00 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2j57 h GLU 64 CO 0.00 1.02 0.07 0.00 -1.00 0.00 0.00 179.01 179.10 2j57 s ALA 65 N -4.12 3.38 0.40 3.43 0.00 -1.26 -2.82 121.76 120.76 2j57 s ALA 65 Ca -0.12 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 2j57 s ALA 65 Cb 0.08 -2.68 -0.11 0.00 0.00 0.00 0.00 23.12 20.41 2j57 s ALA 65 CO 0.83 0.21 1.16 0.00 0.00 0.00 0.00 175.76 177.96 2j57 n ALA 66 N -0.76 0.79 -3.35 0.00 0.00 -1.26 -4.42 120.51 111.51 2j57 n ALA 66 Ca 0.02 0.28 -0.44 0.00 0.00 0.00 0.00 53.44 53.30 2j57 n ALA 66 Cb 0.53 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.03 5.98 -0.59 0.00 0.20 0.40 -4.88 118.68 118.76 2j57 s LEU 67 Ca 0.61 -1.78 -0.21 0.00 0.69 0.00 0.00 54.13 53.44 2j57 s LEU 67 Cb -0.55 -2.14 0.07 0.00 -0.43 0.00 0.00 46.19 43.14 2j57 s LEU 67 CO 0.58 -0.79 0.80 -0.75 -0.29 0.00 0.00 176.35 175.90 2j57 s LYS 68 N 1.53 3.12 0.44 1.98 2.20 -1.26 -1.53 119.74 126.21 2j57 s LYS 68 Ca 0.04 -0.93 -0.23 0.00 -0.36 0.00 0.00 55.97 54.49 2j57 s LYS 68 Cb -0.28 -4.19 -0.08 0.00 -1.51 0.00 0.00 37.83 31.77 2j57 s LYS 68 CO 0.02 -1.54 1.12 0.20 -0.36 0.00 0.00 175.35 174.79 2j57 s GLY 69 N 3.31 2.75 0.47 5.54 0.00 0.14 -5.01 107.32 114.52 2j57 s GLY 69 Ca 0.18 0.83 -0.24 0.00 0.00 0.00 0.00 44.72 45.49 2j57 s GLY 69 CO 0.10 1.27 1.26 -1.55 0.00 0.00 0.00 173.10 174.18 2j57 n PRO 70 N -0.38 1.76 -2.16 2.90 -0.04 -1.26 -4.49 135.00 131.33 2j57 n PRO 70 Ca 0.07 0.63 -0.42 0.00 -0.04 0.00 0.00 63.50 63.74 2j57 n PRO 70 Cb 0.49 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 2j57 n PRO 70 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2j57 s MET 71 N -2.44 4.29 -0.27 0.54 -1.94 -1.26 -4.62 119.30 113.60 2j57 s MET 71 Ca 0.65 2.06 -0.23 0.00 -1.71 0.00 0.00 55.69 56.46 2j57 s MET 71 Cb -0.47 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 32.92 2j57 s MET 71 CO 0.55 -0.54 0.74 -1.64 -0.01 0.00 0.00 175.02 174.12 2j57 s MET 72 N 1.90 4.07 1.18 2.03 -1.94 0.20 -4.85 119.30 121.90 2j57 s MET 72 Ca 0.65 0.66 -0.19 0.00 -1.71 0.00 0.00 55.69 55.11 2j57 s MET 72 Cb -0.35 -3.68 0.28 0.00 2.01 0.00 0.00 34.83 33.09 2j57 s MET 72 CO 0.29 -0.54 1.11 0.15 -0.01 0.00 0.00 175.02 176.02 2j57 s LYS 73 N 2.76 -1.07 0.17 2.03 1.02 -1.26 -2.71 119.74 120.67 2j57 s LYS 73 Ca 0.31 -0.04 -0.32 0.00 0.02 0.00 0.00 55.97 55.94 2j57 s LYS 73 Cb -0.15 -1.61 -0.10 0.00 -0.52 0.00 0.00 37.83 35.44 2j57 s LYS 73 CO 0.10 -3.62 1.61 0.21 -0.92 0.00 0.00 175.35 172.73 2j57 s LYS 74 N -5.39 4.19 -1.04 1.68 2.20 -1.23 -1.61 119.74 118.54 2j57 s LYS 74 Ca 0.71 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.74 2j57 s LYS 74 Cb -0.10 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2j57 s LYS 74 CO 0.56 -0.65 0.00 0.39 -0.36 0.00 0.00 175.35 175.29 2j57 n GLU 75 N 4.07 -0.92 -4.16 4.03 -0.58 0.21 -5.00 120.64 118.29 2j57 n GLU 75 Ca 0.14 0.62 -0.26 0.00 -0.42 0.00 0.00 57.16 57.24 2j57 n GLU 75 Cb 0.38 -4.75 -0.07 0.00 -0.57 0.00 0.00 31.44 26.43 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 -4.33 2.59 0.09 3.49 -0.21 -0.63 -1.17 119.66 119.49 2j57 s GLN 76 Ca 0.00 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.37 2j57 s GLN 76 Cb 0.00 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2j57 s GLN 76 CO 0.00 0.46 -0.07 0.00 -2.12 0.00 0.00 175.29 173.56 2j57 s ALA 77 N -1.75 0.95 -0.21 6.09 0.00 0.20 -1.10 121.76 125.93 2j57 s ALA 77 Ca 0.29 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 2j57 s ALA 77 Cb -0.09 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.22 2j57 s ALA 77 CO 0.20 -0.19 0.53 -0.47 0.00 0.00 0.00 175.76 175.83 2j57 s TYR 78 N -3.28 -0.72 0.06 0.00 5.04 -0.49 -0.08 117.35 117.88 2j57 s TYR 78 Ca 0.09 1.57 0.05 0.00 -2.44 0.00 0.00 57.07 56.34 2j57 s TYR 78 Cb 0.03 0.34 -0.04 0.00 0.35 0.00 0.00 41.96 42.64 2j57 s TYR 78 CO -0.04 -0.37 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.60 2j57 s SER 79 N 1.05 4.51 -0.02 4.32 0.01 -1.26 -1.17 113.70 121.14 2j57 s SER 79 Ca -0.06 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 56.95 2j57 s SER 79 Cb -0.06 -0.95 -0.00 0.00 0.21 0.00 0.00 66.02 65.22 2j57 s SER 79 CO -0.10 0.22 -0.11 -0.76 0.41 0.00 0.00 173.24 172.91 2j57 s LEU 80 N -1.88 1.92 -0.28 2.44 1.43 0.66 -3.96 118.68 119.02 2j57 s LEU 80 Ca 0.20 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 2j57 s LEU 80 Cb -0.11 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 2j57 s LEU 80 CO 0.11 0.11 0.13 -0.89 0.23 0.00 0.00 176.35 176.05 2j57 s THR 81 N -0.07 4.70 -0.16 5.49 2.01 0.27 0.25 115.64 128.13 2j57 s THR 81 Ca 0.01 -0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.68 2j57 s THR 81 Cb -0.06 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2j57 s THR 81 CO 0.00 0.21 0.43 -0.36 -0.69 0.00 0.00 174.62 174.22 2j57 s PHE 82 N 1.66 3.44 -0.24 4.92 0.40 -0.31 -0.59 117.98 127.24 2j57 s PHE 82 Ca 0.06 0.74 0.12 0.00 -0.60 0.00 0.00 56.93 57.25 2j57 s PHE 82 Cb -0.16 -2.53 0.46 0.00 0.51 0.00 0.00 43.02 41.29 2j57 s PHE 82 CO 0.07 0.08 1.18 0.25 0.70 0.00 0.00 175.22 177.50 2j57 n THR 83 N 4.01 2.07 0.00 0.64 -2.24 -0.24 -0.09 114.28 118.43 2j57 n THR 83 Ca -0.08 -3.54 0.00 0.00 -2.27 0.00 0.00 64.05 58.16 2j57 n THR 83 Cb 0.51 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2j57 n THR 83 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2j57 n GLU 84 N -0.70 0.00 -0.87 -0.78 2.13 -1.25 -4.83 120.64 114.33 2j57 n GLU 84 Ca 0.29 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.77 2j57 n GLU 84 Cb 0.89 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.69 2j57 n GLU 84 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2j57 n ALA 85 N 0.00 -4.31 0.00 4.31 0.00 -1.26 -4.83 120.51 114.41 2j57 n ALA 85 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2j57 n ALA 85 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 2.53 0.68 3.16 0.00 0.00 0.13 -4.90 105.19 106.79 2j57 n GLY 86 Ca 0.01 -2.22 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.77 1.97 -0.26 2.61 2.01 -1.26 -0.49 115.64 119.45 2j57 s THR 87 Ca 0.00 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2j57 s THR 87 Cb 0.00 -1.74 0.07 0.00 0.01 0.00 0.00 72.50 70.84 2j57 s THR 87 CO 0.00 0.53 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.10 2j57 s TYR 88 N 0.76 2.84 0.10 4.92 2.02 -0.17 -4.97 117.35 122.84 2j57 s TYR 88 Ca -0.09 -2.11 -0.21 0.00 -0.37 0.00 0.00 57.07 54.29 2j57 s TYR 88 Cb -0.16 -1.87 -0.07 0.00 -0.40 0.00 0.00 41.96 39.46 2j57 s TYR 88 CO -0.00 -0.84 0.64 -0.51 -1.57 0.00 0.00 175.55 173.27 2j57 s ASP 89 N 1.24 7.17 0.32 2.29 1.11 -1.26 0.11 116.67 127.65 2j57 s ASP 89 Ca -0.04 1.38 0.03 0.00 0.18 0.00 0.00 52.55 54.10 2j57 s ASP 89 Cb -0.19 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 2j57 s ASP 89 CO -0.07 0.25 0.11 -0.72 1.18 0.00 0.00 175.17 175.92 2j57 s TYR 90 N -1.07 1.71 0.20 4.23 1.13 0.08 -4.54 117.35 119.08 2j57 s TYR 90 Ca 0.31 -1.21 -0.15 0.00 -1.41 0.00 0.00 57.07 54.61 2j57 s TYR 90 Cb -0.21 -1.03 0.01 0.00 -1.10 0.00 0.00 41.96 39.64 2j57 s TYR 90 CO 0.21 -0.30 0.47 -3.38 -2.51 0.00 0.00 175.55 170.04 2j57 s HIS 91 N -3.49 0.07 -0.11 -3.49 -3.43 -0.28 -2.01 115.29 102.56 2j57 s HIS 91 Ca 0.34 -0.43 -0.23 0.00 -0.80 0.00 0.00 55.06 53.95 2j57 s HIS 91 Cb 0.06 0.28 -0.03 0.00 -1.43 0.00 0.00 32.58 31.45 2j57 s HIS 91 CO 0.15 -0.90 0.68 0.00 -2.00 0.00 0.00 174.74 172.67 2j57 h THR 93 N 4.88 0.02 -0.00 0.00 2.02 -1.91 -1.16 112.91 116.76 2j57 h THR 93 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2j57 h THR 93 Cb 1.18 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2j57 h THR 93 CO 0.77 0.00 -0.02 -0.81 0.37 0.00 0.00 175.52 175.83 2j57 n PRO 94 N -5.39 1.02 -3.51 6.66 -0.04 -1.26 -4.45 135.00 128.04 2j57 n PRO 94 Ca -0.03 -0.24 -0.27 0.00 -0.04 0.00 0.00 63.50 62.91 2j57 n PRO 94 Cb 0.35 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 2j57 n PRO 94 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2j57 s HIS 95 N -2.15 1.66 -0.69 0.54 3.76 -0.45 -4.97 115.29 112.99 2j57 s HIS 95 Ca 0.40 -2.56 0.20 0.00 -0.15 0.00 0.00 55.06 52.96 2j57 s HIS 95 Cb 0.21 -1.33 0.84 0.00 1.11 0.00 0.00 32.58 33.41 2j57 s HIS 95 CO 0.39 -0.76 1.62 -2.30 -0.85 0.00 0.00 174.74 172.84 2j57 n PRO 96 N 2.65 0.12 0.27 8.40 -0.02 -1.14 -1.89 135.00 143.39 2j57 n PRO 96 Ca 0.27 0.35 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 2j57 n PRO 96 Cb 0.45 -1.72 0.75 0.00 -0.02 0.00 0.00 33.50 32.95 2j57 n PRO 96 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2j57 h PHE 97 N 0.00 0.00 -3.60 6.00 -5.15 -1.93 -3.40 116.94 108.86 2j57 h PHE 97 Ca 0.00 0.00 -0.64 0.00 -0.20 0.00 0.00 57.97 57.13 2j57 h PHE 97 Cb 0.33 0.00 -0.14 0.00 0.22 0.00 0.00 35.95 36.35 2j57 h PHE 97 CO 0.00 0.07 0.22 -1.64 -2.00 0.00 0.00 178.31 174.97 2j57 s MET 98 N -3.88 3.33 0.06 6.09 -1.94 -0.79 -5.03 119.30 117.13 2j57 s MET 98 Ca -0.01 -0.27 0.07 0.00 -1.71 0.00 0.00 55.69 53.77 2j57 s MET 98 Cb 0.11 -3.95 -0.03 0.00 2.01 0.00 0.00 34.83 32.97 2j57 s MET 98 CO 0.55 -1.06 -0.18 1.03 -0.01 0.00 0.00 175.02 175.34 2j57 s ARG 99 N 3.03 1.15 0.20 2.03 0.52 -1.26 -1.81 118.95 122.81 2j57 s ARG 99 Ca 0.26 -0.95 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 2j57 s ARG 99 Cb -0.13 -1.27 -0.01 0.00 0.52 0.00 0.00 34.95 34.06 2j57 s ARG 99 CO 0.20 0.31 0.21 0.41 0.02 0.00 0.00 175.30 176.46 2j57 n GLY 100 N 1.63 3.05 3.21 -3.53 0.00 -0.85 -4.78 105.19 103.91 2j57 n GLY 100 Ca -0.18 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 2j57 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j57 s LYS 101 N -2.67 0.46 -0.24 1.61 -2.85 -0.25 -0.74 119.74 115.07 2j57 s LYS 101 Ca 0.21 0.20 -0.07 0.00 -1.00 0.00 0.00 55.97 55.30 2j57 s LYS 101 Cb 0.00 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 2j57 s LYS 101 CO 0.15 -0.09 0.07 0.08 0.10 0.00 0.00 175.35 175.66 2j57 s VAL 102 N -0.38 4.44 -0.47 1.79 1.01 0.12 -2.33 120.40 124.58 2j57 s VAL 102 Ca -0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 2j57 s VAL 102 Cb -0.03 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.37 2j57 s VAL 102 CO 0.02 0.36 0.37 -0.69 0.00 0.00 0.00 175.10 175.15 2j57 s VAL 103 N 1.40 4.87 -0.25 2.92 1.01 0.21 -1.00 120.40 129.56 2j57 s VAL 103 Ca 0.05 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 2j57 s VAL 103 Cb -0.15 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2j57 s VAL 103 CO 0.04 -0.62 0.45 -0.69 0.00 0.00 0.00 175.10 174.27 2j57 s VAL 104 N 1.55 5.13 -1.50 2.92 1.01 0.35 -0.18 120.40 129.68 2j57 s VAL 104 Ca 0.04 0.75 0.12 0.00 0.00 0.00 0.00 61.98 62.88 2j57 s VAL 104 Cb -0.25 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.46 2j57 s VAL 104 CO 0.04 0.14 0.88 -0.62 0.00 0.00 0.00 175.10 175.54