#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j55 n LYS 2 N 0.00 0.70 -3.68 -1.24 5.02 0.31 -4.82 118.16 114.44 2j55 n LYS 2 Ca 0.00 -0.86 -0.14 0.00 -2.02 0.00 0.00 58.31 55.28 2j55 n LYS 2 Cb 0.00 -1.12 -0.07 0.00 -0.02 0.00 0.00 35.03 33.82 2j55 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j55 s ALA 3 N -0.80 -1.09 0.14 7.82 0.00 -1.25 -1.82 121.76 124.75 2j55 s ALA 3 Ca 0.09 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.70 2j55 s ALA 3 Cb 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2j55 s ALA 3 CO 0.13 -0.32 -0.04 0.95 0.00 0.00 0.00 175.76 176.47 2j55 s THR 4 N -1.50 3.60 -0.39 0.00 -4.23 0.88 -4.92 115.64 109.07 2j55 s THR 4 Ca -0.11 -1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 58.96 2j55 s THR 4 Cb -0.03 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2j55 s THR 4 CO 0.05 0.00 0.23 -0.63 -0.54 0.00 0.00 174.62 173.73 2j55 s ILE 5 N -1.49 4.65 0.22 2.99 1.01 -1.26 -0.42 121.20 126.90 2j55 s ILE 5 Ca 0.25 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 2j55 s ILE 5 Cb -0.10 -3.64 0.17 0.00 0.01 0.00 0.00 42.46 38.90 2j55 s ILE 5 CO 0.17 -0.30 1.84 -0.65 0.00 0.00 0.00 174.94 176.00 2j55 h PRO 6 N 8.47 1.13 -3.36 2.79 0.11 -1.94 -3.43 132.00 135.77 2j55 h PRO 6 Ca -0.25 -0.12 -0.32 0.00 0.11 0.00 0.00 66.00 65.41 2j55 h PRO 6 Cb 1.10 -0.23 -0.36 0.00 0.11 0.00 0.00 31.00 31.63 2j55 h PRO 6 CO 0.70 0.82 -0.71 0.45 -0.21 0.00 0.00 178.00 179.05 2j55 s SER 7 N -6.12 0.56 0.21 -2.05 0.15 -1.26 -5.02 113.70 100.17 2j55 s SER 7 Ca -0.13 0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.54 2j55 s SER 7 Cb 0.16 -0.04 0.15 0.00 -1.71 0.00 0.00 66.02 64.58 2j55 s SER 7 CO 0.81 -0.19 1.81 -0.08 1.20 0.00 0.00 173.24 176.79 2j55 h GLU 8 N 7.87 1.07 -6.75 5.44 4.57 -1.96 -3.44 114.58 121.38 2j55 h GLU 8 Ca -0.28 -0.14 -0.49 0.00 -1.18 0.00 0.00 59.36 57.27 2j55 h GLU 8 Cb 1.12 -0.20 0.02 0.00 -0.16 0.00 0.00 28.75 29.53 2j55 h GLU 8 CO 0.30 0.81 -0.01 -1.54 -1.18 0.00 0.00 179.01 177.39 2j55 s SER 9 N -6.12 6.30 0.60 1.04 1.04 -1.26 -4.65 113.70 110.64 2j55 s SER 9 Ca -0.13 0.75 -0.18 0.00 0.48 0.00 0.00 55.95 56.87 2j55 s SER 9 Cb 0.15 -2.17 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 2j55 s SER 9 CO 0.81 -0.45 1.18 -2.84 0.98 0.00 0.00 173.24 172.92 2j55 s PRO 10 N -4.48 2.99 0.45 4.02 0.02 -1.26 -4.89 135.00 131.86 2j55 s PRO 10 Ca 0.45 1.72 0.02 0.00 0.02 0.00 0.00 61.00 63.20 2j55 s PRO 10 Cb -0.10 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 2j55 s PRO 10 CO 0.40 -1.16 0.07 1.97 -0.33 0.00 0.00 177.00 177.95 2j55 n PHE 11 N -1.69 0.64 -2.90 6.54 -1.74 -0.55 -4.92 117.46 112.85 2j55 n PHE 11 Ca 0.13 -2.55 -0.40 0.00 -0.56 0.00 0.00 57.45 54.07 2j55 n PHE 11 Cb 0.50 -0.17 -0.06 0.00 1.52 0.00 0.00 39.48 41.28 2j55 n PHE 11 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2j55 s ALA 12 N -2.99 3.41 0.39 1.98 0.00 -1.26 -0.32 121.76 122.97 2j55 s ALA 12 Ca 0.11 0.46 0.19 0.00 0.00 0.00 0.00 51.96 52.72 2j55 s ALA 12 Cb 0.01 -3.05 1.15 0.00 0.00 0.00 0.00 23.12 21.22 2j55 s ALA 12 CO 0.07 0.26 1.72 0.00 0.00 0.00 0.00 175.76 177.82 2j55 h ALA 13 N 4.26 2.26 -0.05 0.00 0.00 0.73 -0.72 119.26 125.75 2j55 h ALA 13 Ca -0.46 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2j55 h ALA 13 Cb 1.20 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2j55 h ALA 13 CO 0.67 -0.75 0.06 0.00 0.00 0.00 0.00 179.25 179.23 2j55 h ALA 14 N 1.66 1.57 0.00 0.00 0.00 -1.92 -2.26 119.26 118.31 2j55 h ALA 14 Ca 0.67 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 2j55 h ALA 14 Cb 1.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2j55 h ALA 14 CO -0.39 -0.08 -0.21 1.49 0.00 0.00 0.00 179.25 180.06 2j55 h GLU 15 N 0.00 0.00 -6.36 0.00 4.57 -1.51 -3.45 114.58 107.83 2j55 h GLU 15 Ca 0.02 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.65 2j55 h GLU 15 Cb 0.14 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 2j55 h GLU 15 CO -0.00 0.21 1.15 0.08 -1.18 0.00 0.00 179.01 179.27 2j55 s VAL 16 N -4.23 3.72 0.47 0.32 1.01 -0.85 -5.00 120.40 115.82 2j55 s VAL 16 Ca -0.03 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 2j55 s VAL 16 Cb 0.14 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2j55 s VAL 16 CO 0.65 -0.92 -0.26 0.00 0.00 0.00 0.00 175.10 174.57 2j55 n ALA 17 N 9.89 -3.30 -0.01 5.51 0.00 -1.26 -4.91 120.51 126.43 2j55 n ALA 17 Ca 0.16 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2j55 n ALA 17 Cb 0.49 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 2j55 n ALA 17 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2j55 h ASP 18 N -0.25 0.59 -3.45 0.00 1.82 -1.99 -3.34 116.42 109.79 2j55 h ASP 18 Ca -0.29 -0.71 -0.65 0.00 -0.39 0.00 0.00 57.03 54.99 2j55 h ASP 18 Cb 0.94 -0.18 -0.15 0.00 0.68 0.00 0.00 39.33 40.62 2j55 h ASP 18 CO 0.24 1.22 0.18 -0.83 -1.61 0.00 0.00 179.24 178.43 2j55 s GLY 19 N -4.03 1.68 -0.27 -0.78 0.00 -1.26 -5.00 107.32 97.65 2j55 s GLY 19 Ca -0.13 -1.34 -0.21 0.00 0.00 0.00 0.00 44.72 43.04 2j55 s GLY 19 CO 0.83 1.60 0.70 0.00 0.00 0.00 0.00 173.10 176.23 2j55 s ALA 20 N 2.95 -1.78 -0.35 3.20 0.00 -1.26 -5.12 121.76 119.41 2j55 s ALA 20 Ca 0.22 2.13 -0.29 0.00 0.00 0.00 0.00 51.96 54.03 2j55 s ALA 20 Cb -0.15 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 2j55 s ALA 20 CO 0.17 -0.35 1.53 0.42 0.00 0.00 0.00 175.76 177.53 2j55 s ILE 21 N 0.82 3.79 -0.10 0.00 1.01 -1.26 -4.98 121.20 120.49 2j55 s ILE 21 Ca -0.04 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.48 2j55 s ILE 21 Cb -0.05 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2j55 s ILE 21 CO -0.06 -0.58 -0.24 -0.69 0.00 0.00 0.00 174.94 173.37 2j55 s VAL 22 N 5.64 2.03 -0.39 2.92 1.01 -1.26 -0.87 120.40 129.49 2j55 s VAL 22 Ca 0.67 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2j55 s VAL 22 Cb -0.18 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.47 2j55 s VAL 22 CO 0.31 0.55 0.25 -0.69 0.00 0.00 0.00 175.10 175.52 2j55 s VAL 23 N 0.35 4.85 0.53 2.92 1.01 0.58 -4.96 120.40 125.68 2j55 s VAL 23 Ca -0.19 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 2j55 s VAL 23 Cb -0.18 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2j55 s VAL 23 CO 0.09 -0.27 1.02 -1.81 0.00 0.00 0.00 175.10 174.12 2j55 s ASP 24 N 1.61 6.28 -0.10 3.32 1.01 -1.26 -0.55 116.67 126.98 2j55 s ASP 24 Ca 0.03 1.75 0.03 0.00 0.71 0.00 0.00 52.55 55.07 2j55 s ASP 24 Cb -0.19 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.22 2j55 s ASP 24 CO 0.08 -0.82 -0.19 -0.63 0.21 0.00 0.00 175.17 173.82 2j55 s ILE 25 N -2.39 1.71 -0.10 0.77 1.01 0.39 -1.01 121.20 121.58 2j55 s ILE 25 Ca 0.63 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 2j55 s ILE 25 Cb -0.13 -1.51 0.10 0.00 0.01 0.00 0.00 42.46 40.92 2j55 s ILE 25 CO 0.29 0.48 0.85 0.00 0.00 0.00 0.00 174.94 176.56 2j55 s ALA 26 N 0.64 -1.85 -1.46 9.38 0.00 -0.64 -1.67 121.76 126.17 2j55 s ALA 26 Ca -0.13 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 2j55 s ALA 26 Cb -0.16 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.72 2j55 s ALA 26 CO 0.04 -0.36 0.73 1.63 0.00 0.00 0.00 175.76 177.79 2j55 n LYS 27 N 0.75 -4.32 -2.48 0.00 4.01 -1.26 -1.76 118.16 113.10 2j55 n LYS 27 Ca -0.14 0.55 -0.16 0.00 -0.51 0.00 0.00 58.31 58.05 2j55 n LYS 27 Cb 0.58 -5.35 0.00 0.00 -0.51 0.00 0.00 35.03 29.75 2j55 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2j55 n MET 28 N -4.20 -2.09 -3.80 1.97 2.81 -1.26 -5.02 117.12 105.53 2j55 n MET 28 Ca 0.01 0.73 -0.13 0.00 -1.81 0.00 0.00 57.70 56.51 2j55 n MET 28 Cb 0.54 -5.11 -0.13 0.00 -0.71 0.00 0.00 33.22 27.81 2j55 n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2j55 s LYS 29 N -4.99 0.17 0.35 0.03 1.02 -0.72 -4.76 119.74 110.82 2j55 s LYS 29 Ca 0.08 0.27 -0.28 0.00 0.02 0.00 0.00 55.97 56.05 2j55 s LYS 29 Cb -0.03 0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.20 2j55 s LYS 29 CO 0.10 -0.06 1.32 0.71 -0.92 0.00 0.00 175.35 176.50 2j55 s TYR 30 N 0.36 2.98 0.08 3.18 2.02 -1.26 -1.62 117.35 123.08 2j55 s TYR 30 Ca -0.02 1.40 -0.21 0.00 -0.37 0.00 0.00 57.07 57.86 2j55 s TYR 30 Cb -0.04 -3.70 -0.11 0.00 -0.40 0.00 0.00 41.96 37.71 2j55 s TYR 30 CO -0.01 -1.98 1.63 1.05 -1.57 0.00 0.00 175.55 174.67 2j55 h GLU 31 N 3.25 0.19 -5.44 -0.62 4.11 -1.40 -3.41 114.58 111.26 2j55 h GLU 31 Ca -0.49 -0.03 -0.64 0.00 0.07 0.00 0.00 59.36 58.26 2j55 h GLU 31 Cb 1.23 -0.03 -0.20 0.00 0.50 0.00 0.00 28.75 30.25 2j55 h GLU 31 CO 0.65 0.28 -0.65 0.99 0.07 0.00 0.00 179.01 180.35 2j55 s THR 32 N -5.61 4.06 0.21 -1.06 2.01 -1.26 -5.01 115.64 108.98 2j55 s THR 32 Ca -0.14 -0.31 0.28 0.00 0.31 0.00 0.00 61.69 61.84 2j55 s THR 32 Cb 0.06 -2.77 0.30 0.00 0.01 0.00 0.00 72.50 70.10 2j55 s THR 32 CO 0.69 0.51 1.95 1.55 -0.69 0.00 0.00 174.62 178.63 2j55 h PRO 33 N 6.40 0.00 -1.52 4.92 0.13 -1.87 -3.42 132.00 136.64 2j55 h PRO 33 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2j55 h PRO 33 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 2j55 h PRO 33 CO 0.62 0.13 -0.39 -2.00 -0.23 0.00 0.00 178.00 176.13 2j55 s GLU 34 N -3.80 0.44 -0.12 0.86 2.12 -1.26 -0.91 118.70 116.04 2j55 s GLU 34 Ca -0.00 0.74 -0.05 0.00 0.36 0.00 0.00 54.97 56.01 2j55 s GLU 34 Cb 0.11 -0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 2j55 s GLU 34 CO 0.59 -0.63 0.06 -1.17 -0.54 0.00 0.00 175.26 173.56 2j55 s LEU 35 N 2.68 3.87 -0.20 2.70 2.96 0.18 -4.94 118.68 125.93 2j55 s LEU 35 Ca 0.16 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 2j55 s LEU 35 Cb -0.15 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 2j55 s LEU 35 CO -0.18 0.33 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.14 2j55 s HIS 36 N -0.55 2.97 0.08 5.38 3.76 -1.26 0.95 115.29 126.62 2j55 s HIS 36 Ca 0.10 -0.73 -0.02 0.00 -0.15 0.00 0.00 55.06 54.26 2j55 s HIS 36 Cb -0.12 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 2j55 s HIS 36 CO 0.02 -0.40 0.03 0.14 -0.85 0.00 0.00 174.74 173.68 2j55 s VAL 37 N 1.19 0.18 0.26 -0.90 -7.23 -0.18 -4.98 120.40 108.74 2j55 s VAL 37 Ca 0.02 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2j55 s VAL 37 Cb -0.14 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2j55 s VAL 37 CO -0.00 -0.82 0.47 -0.54 -0.31 0.00 0.00 175.10 173.90 2j55 s LYS 38 N -3.94 3.56 0.15 4.82 -0.14 -1.26 -0.45 119.74 122.47 2j55 s LYS 38 Ca 0.11 -0.21 -0.34 0.00 -1.36 0.00 0.00 55.97 54.16 2j55 s LYS 38 Cb 0.07 -2.74 -0.16 0.00 -1.68 0.00 0.00 37.83 33.32 2j55 s LYS 38 CO -0.07 0.29 1.28 0.28 -0.76 0.00 0.00 175.35 176.37 2j55 n VAL 39 N -0.94 0.50 -0.07 3.17 0.31 -1.26 -1.68 118.33 118.36 2j55 n VAL 39 Ca -0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2j55 n VAL 39 Cb 0.54 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2j55 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j55 n GLY 40 N 2.32 0.71 3.77 2.92 0.00 0.15 -5.01 105.19 110.04 2j55 n GLY 40 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2j55 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j55 s ASP 41 N -2.63 7.24 -0.23 1.61 1.01 -0.68 -4.78 116.67 118.21 2j55 s ASP 41 Ca 0.00 1.98 -0.15 0.00 0.71 0.00 0.00 52.55 55.09 2j55 s ASP 41 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2j55 s ASP 41 CO 0.00 -0.14 0.36 -0.89 0.21 0.00 0.00 175.17 174.70 2j55 s THR 42 N -1.48 5.21 -0.14 -1.27 2.01 -1.26 -1.61 115.64 117.10 2j55 s THR 42 Ca 0.50 0.58 -0.10 0.00 0.31 0.00 0.00 61.69 62.98 2j55 s THR 42 Cb -0.23 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2j55 s THR 42 CO 0.29 0.23 0.20 -0.69 -0.69 0.00 0.00 174.62 173.96 2j55 s VAL 43 N 1.55 5.38 -0.18 3.82 1.01 -0.42 -4.16 120.40 127.39 2j55 s VAL 43 Ca 0.16 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2j55 s VAL 43 Cb -0.15 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2j55 s VAL 43 CO 0.08 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 2j55 s THR 44 N -0.23 2.20 0.05 3.92 2.01 -0.05 -1.09 115.64 122.45 2j55 s THR 44 Ca 0.14 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 61.02 2j55 s THR 44 Cb -0.12 -1.93 -0.06 0.00 0.01 0.00 0.00 72.50 70.40 2j55 s THR 44 CO 0.03 0.53 0.66 0.26 -0.69 0.00 0.00 174.62 175.41 2j55 s TRP 45 N 1.26 3.76 -0.15 4.92 0.51 0.28 -0.31 118.94 129.21 2j55 s TRP 45 Ca 0.04 1.35 0.00 0.00 -2.12 0.00 0.00 56.10 55.37 2j55 s TRP 45 Cb -0.13 -2.66 0.03 0.00 -0.81 0.00 0.00 33.47 29.89 2j55 s TRP 45 CO -0.11 0.41 -0.11 0.42 -0.51 0.00 0.00 176.95 177.05 2j55 s ILE 46 N -0.50 1.42 -0.09 2.03 1.01 0.29 -1.87 121.20 123.49 2j55 s ILE 46 Ca 0.33 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 2j55 s ILE 46 Cb -0.20 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2j55 s ILE 46 CO 0.20 0.37 0.87 0.21 0.00 0.00 0.00 174.94 176.60 2j55 s ASN 47 N 1.54 7.13 -0.01 3.58 2.47 0.06 -0.46 114.94 129.25 2j55 s ASN 47 Ca 0.04 1.37 0.16 0.00 0.42 0.00 0.00 52.86 54.85 2j55 s ASN 47 Cb -0.13 -2.49 -0.19 0.00 -1.45 0.00 0.00 41.25 36.98 2j55 s ASN 47 CO -0.10 -0.31 0.58 0.54 -3.72 0.00 0.00 177.10 174.10 2j55 n ARG 48 N 4.51 1.44 -4.24 0.43 5.12 -0.67 0.02 116.66 123.27 2j55 n ARG 48 Ca 0.04 -0.04 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 2j55 n ARG 48 Cb 0.50 -1.28 -0.08 0.00 -1.16 0.00 0.00 32.46 30.44 2j55 n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2j55 s GLU 49 N -2.66 2.17 0.09 5.56 -1.05 -1.25 -4.72 118.70 116.84 2j55 s GLU 49 Ca 0.03 -1.84 -0.11 0.00 -0.15 0.00 0.00 54.97 52.89 2j55 s GLU 49 Cb 0.11 -1.93 -0.19 0.00 -0.44 0.00 0.00 34.13 31.68 2j55 s GLU 49 CO 0.65 -0.04 1.22 0.00 0.95 0.00 0.00 175.26 178.05 2j55 h ALA 50 N 1.56 0.20 -1.16 -0.84 0.00 -1.94 -3.13 119.26 113.94 2j55 h ALA 50 Ca -0.43 -0.70 -0.73 0.00 0.00 0.00 0.00 54.91 53.05 2j55 h ALA 50 Cb 1.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2j55 h ALA 50 CO 0.70 0.72 1.10 -0.12 0.00 0.00 0.00 179.25 181.66 2j55 n MET 51 N -3.82 0.91 -2.06 0.00 0.00 -1.26 -4.38 117.12 106.51 2j55 n MET 51 Ca -0.10 0.30 -0.40 0.00 0.00 0.00 0.00 57.70 57.51 2j55 n MET 51 Cb 0.87 -2.09 -0.01 0.00 0.00 0.00 0.00 33.22 31.99 2j55 n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2j55 s PRO 52 N 4.65 4.01 0.07 2.12 0.02 -1.26 -4.80 135.00 139.81 2j55 s PRO 52 Ca 1.05 2.17 -0.04 0.00 0.02 0.00 0.00 61.00 64.20 2j55 s PRO 52 Cb -1.09 -2.79 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 2j55 s PRO 52 CO 0.62 -0.46 0.05 -1.01 -0.33 0.00 0.00 177.00 175.87 2j55 s HIS 53 N -1.25 0.41 0.22 6.54 3.76 -0.95 -4.90 115.29 119.12 2j55 s HIS 53 Ca 0.56 -0.92 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2j55 s HIS 53 Cb -0.38 -0.28 -0.01 0.00 1.11 0.00 0.00 32.58 33.01 2j55 s HIS 53 CO 0.49 -0.44 0.22 0.27 -0.85 0.00 0.00 174.74 174.43 2j55 n ASN 54 N 0.04 -0.58 -4.29 1.40 6.94 -1.26 -1.31 115.26 116.20 2j55 n ASN 54 Ca -0.14 -2.36 -0.33 0.00 -0.02 0.00 0.00 54.58 51.73 2j55 n ASN 54 Cb 0.62 1.25 -0.15 0.00 -2.36 0.00 0.00 39.78 39.13 2j55 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2j55 s VAL 55 N -2.82 2.77 -0.21 3.53 -7.23 -1.26 -4.26 120.40 110.93 2j55 s VAL 55 Ca 0.24 -0.74 -0.00 0.00 -1.81 0.00 0.00 61.98 59.67 2j55 s VAL 55 Cb 0.01 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2j55 s VAL 55 CO 0.17 0.51 -0.04 -2.28 -0.31 0.00 0.00 175.10 173.15 2j55 s HIS 56 N 0.71 2.01 -0.22 2.82 5.04 0.14 -0.97 115.29 124.82 2j55 s HIS 56 Ca -0.07 -1.43 -0.17 0.00 -1.54 0.00 0.00 55.06 51.86 2j55 s HIS 56 Cb -0.15 -1.43 -0.03 0.00 0.04 0.00 0.00 32.58 31.00 2j55 s HIS 56 CO 0.02 -0.71 0.44 -0.06 -2.34 0.00 0.00 174.74 172.09 2j55 s PHE 57 N 1.53 3.33 0.90 3.88 0.40 -0.10 -1.97 117.98 125.95 2j55 s PHE 57 Ca -0.03 0.62 -0.11 0.00 -0.60 0.00 0.00 56.93 56.81 2j55 s PHE 57 Cb -0.17 -2.60 0.13 0.00 0.51 0.00 0.00 43.02 40.88 2j55 s PHE 57 CO -0.07 -0.12 1.09 1.33 0.70 0.00 0.00 175.22 178.15 2j55 n VAL 58 N 4.67 0.40 -1.46 -0.44 0.24 -1.26 -0.50 118.33 119.98 2j55 n VAL 58 Ca -0.07 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.34 61.73 2j55 n VAL 58 Cb 0.51 -1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 31.86 2j55 n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j55 n ALA 59 N -4.01 -1.71 0.00 2.33 0.00 -1.26 -2.12 120.51 113.73 2j55 n ALA 59 Ca 0.12 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2j55 n ALA 59 Cb 0.52 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2j55 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j55 n GLY 60 N 1.75 2.87 0.13 0.00 0.00 0.22 -4.85 105.19 105.31 2j55 n GLY 60 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 2j55 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2j55 h VAL 61 N 0.00 0.19 -0.05 1.61 2.07 -1.72 -3.38 116.25 114.96 2j55 h VAL 61 Ca 0.00 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2j55 h VAL 61 Cb 0.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2j55 h VAL 61 CO 0.00 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.83 2j55 n LEU 62 N -4.91 2.59 0.00 2.57 4.77 -1.26 -4.89 117.00 115.87 2j55 n LEU 62 Ca -0.04 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 2j55 n LEU 62 Cb 0.13 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2j55 n LEU 62 CO 0.10 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2j55 n GLY 63 N 1.05 -1.60 0.06 -0.72 0.00 -1.26 -0.53 105.19 102.19 2j55 n GLY 63 Ca 0.11 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2j55 n GLY 63 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2j55 h GLU 64 N 0.00 0.05 -7.14 1.61 4.81 -1.94 0.63 114.58 112.59 2j55 h GLU 64 Ca 0.00 -0.02 -0.46 0.00 -0.13 0.00 0.00 59.36 58.75 2j55 h GLU 64 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2j55 h GLU 64 CO 0.00 0.45 0.36 0.00 -0.73 0.00 0.00 179.01 179.09 2j55 s ALA 65 N -4.56 3.04 0.49 2.92 0.00 -1.26 -1.98 121.76 120.42 2j55 s ALA 65 Ca -0.15 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 2j55 s ALA 65 Cb 0.03 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 2j55 s ALA 65 CO 0.68 -0.13 0.86 0.00 0.00 0.00 0.00 175.76 177.17 2j55 n ALA 66 N -1.24 -0.24 -3.67 0.00 0.00 -1.26 -4.16 120.51 109.94 2j55 n ALA 66 Ca 0.07 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2j55 n ALA 66 Cb 0.54 -2.01 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 2j55 n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2j55 s LEU 67 N -0.43 5.48 -0.47 0.00 0.20 0.34 -4.86 118.68 118.94 2j55 s LEU 67 Ca 0.67 -2.10 -0.16 0.00 0.69 0.00 0.00 54.13 53.24 2j55 s LEU 67 Cb -0.50 -1.92 0.06 0.00 -0.43 0.00 0.00 46.19 43.40 2j55 s LEU 67 CO 0.54 -0.59 0.43 -0.75 -0.29 0.00 0.00 176.35 175.69 2j55 s LYS 68 N 1.07 3.01 0.72 1.98 2.20 -1.26 -0.92 119.74 126.54 2j55 s LYS 68 Ca 0.08 -1.22 -0.14 0.00 -0.36 0.00 0.00 55.97 54.33 2j55 s LYS 68 Cb -0.24 -4.11 0.04 0.00 -1.51 0.00 0.00 37.83 32.01 2j55 s LYS 68 CO -0.03 -1.03 1.17 0.20 -0.36 0.00 0.00 175.35 175.30 2j55 s GLY 69 N 2.51 2.20 0.44 5.54 0.00 -0.14 -5.01 107.32 112.85 2j55 s GLY 69 Ca 0.06 0.72 -0.25 0.00 0.00 0.00 0.00 44.72 45.26 2j55 s GLY 69 CO 0.08 1.11 1.28 2.56 0.00 0.00 0.00 173.10 178.13 2j55 s PRO 70 N -4.07 3.81 0.30 2.90 0.04 -1.26 -4.64 135.00 132.07 2j55 s PRO 70 Ca 0.71 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 63.53 2j55 s PRO 70 Cb -0.25 -2.61 -0.11 0.00 0.04 0.00 0.00 34.50 31.56 2j55 s PRO 70 CO 0.45 -0.60 1.57 -1.64 0.04 0.00 0.00 177.00 176.83 2j55 s MET 71 N -2.43 4.13 -0.15 4.56 -1.94 -1.26 -4.65 119.30 117.56 2j55 s MET 71 Ca 0.60 2.56 -0.01 0.00 -1.71 0.00 0.00 55.69 57.14 2j55 s MET 71 Cb -0.36 -3.02 -0.01 0.00 2.01 0.00 0.00 34.83 33.45 2j55 s MET 71 CO 0.46 -0.61 -0.13 -1.64 -0.01 0.00 0.00 175.02 173.09 2j55 s MET 72 N -0.64 3.31 0.85 2.03 -1.94 -0.42 -4.82 119.30 117.67 2j55 s MET 72 Ca 0.62 -0.70 -0.09 0.00 -1.71 0.00 0.00 55.69 53.80 2j55 s MET 72 Cb -0.47 -2.69 0.16 0.00 2.01 0.00 0.00 34.83 33.84 2j55 s MET 72 CO 0.49 0.07 1.17 0.15 -0.01 0.00 0.00 175.02 176.89 2j55 s LYS 73 N 0.72 1.19 0.13 2.03 1.02 -1.26 -2.23 119.74 121.34 2j55 s LYS 73 Ca -0.06 -0.65 -0.34 0.00 0.02 0.00 0.00 55.97 54.94 2j55 s LYS 73 Cb -0.15 -2.06 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 2j55 s LYS 73 CO 0.02 -1.93 1.59 1.17 -0.92 0.00 0.00 175.35 175.27 2j55 n LYS 74 N -3.33 2.06 -1.09 1.68 4.81 -1.18 -1.81 118.16 119.29 2j55 n LYS 74 Ca 0.14 0.75 -0.03 0.00 -0.87 0.00 0.00 58.31 58.30 2j55 n LYS 74 Cb 0.60 -2.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.12 2j55 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2j55 n GLU 75 N 3.69 -0.39 -4.09 1.64 -0.58 0.10 -5.01 120.64 116.01 2j55 n GLU 75 Ca 0.18 0.48 -0.25 0.00 -0.42 0.00 0.00 57.16 57.14 2j55 n GLU 75 Cb 0.28 -4.06 -0.05 0.00 -0.57 0.00 0.00 31.44 27.04 2j55 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2j55 s GLN 76 N -1.73 2.91 0.10 3.49 -0.21 -0.75 0.13 119.66 123.60 2j55 s GLN 76 Ca 0.00 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 54.50 2j55 s GLN 76 Cb 0.00 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 2j55 s GLN 76 CO 0.00 0.47 -0.07 0.00 -2.12 0.00 0.00 175.29 173.57 2j55 s ALA 77 N -1.82 1.03 -0.24 6.09 0.00 0.57 -0.76 121.76 126.62 2j55 s ALA 77 Ca 0.31 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.75 2j55 s ALA 77 Cb -0.10 0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.23 2j55 s ALA 77 CO 0.24 -0.21 0.62 -0.47 0.00 0.00 0.00 175.76 175.94 2j55 s TYR 78 N -3.49 -0.82 0.14 0.00 5.04 -0.78 -1.47 117.35 115.96 2j55 s TYR 78 Ca 0.12 1.79 0.09 0.00 -2.44 0.00 0.00 57.07 56.63 2j55 s TYR 78 Cb 0.04 0.39 -0.04 0.00 0.35 0.00 0.00 41.96 42.70 2j55 s TYR 78 CO -0.04 -0.41 -0.17 -1.12 -1.34 0.00 0.00 175.55 172.48 2j55 s SER 79 N 0.96 3.93 -0.01 4.32 0.01 -1.26 -0.55 113.70 121.09 2j55 s SER 79 Ca -0.05 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2j55 s SER 79 Cb -0.05 -0.56 0.02 0.00 0.21 0.00 0.00 66.02 65.64 2j55 s SER 79 CO -0.09 0.15 0.01 -0.76 0.41 0.00 0.00 173.24 172.97 2j55 s LEU 80 N -2.38 1.47 -0.25 2.44 1.43 -0.25 -4.10 118.68 117.05 2j55 s LEU 80 Ca 0.20 0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.21 2j55 s LEU 80 Cb -0.10 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.01 2j55 s LEU 80 CO 0.11 -0.07 0.15 -0.89 0.23 0.00 0.00 176.35 175.88 2j55 s THR 81 N 0.62 5.12 -0.25 5.49 2.01 0.44 -1.30 115.64 127.76 2j55 s THR 81 Ca -0.05 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 2j55 s THR 81 Cb -0.08 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2j55 s THR 81 CO -0.02 0.32 0.45 -0.36 -0.69 0.00 0.00 174.62 174.33 2j55 s PHE 82 N 1.34 3.29 -1.10 4.92 0.40 -0.63 -0.09 117.98 126.11 2j55 s PHE 82 Ca 0.07 0.58 0.10 0.00 -0.60 0.00 0.00 56.93 57.08 2j55 s PHE 82 Cb -0.15 -2.64 0.04 0.00 0.51 0.00 0.00 43.02 40.79 2j55 s PHE 82 CO 0.06 -0.20 0.73 0.25 0.70 0.00 0.00 175.22 176.76 2j55 n THR 83 N 4.94 0.00 -3.84 0.64 -2.24 -0.76 0.31 114.28 113.34 2j55 n THR 83 Ca -0.06 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 2j55 n THR 83 Cb 0.50 1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 69.76 2j55 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2j55 s GLU 84 N -1.10 0.06 0.40 -0.78 2.12 -1.24 -4.74 118.70 113.41 2j55 s GLU 84 Ca 0.10 0.10 -0.26 0.00 0.36 0.00 0.00 54.97 55.27 2j55 s GLU 84 Cb 0.08 -0.00 -0.09 0.00 0.26 0.00 0.00 34.13 34.38 2j55 s GLU 84 CO 0.19 -0.03 1.33 0.00 -0.54 0.00 0.00 175.26 176.21 2j55 s ALA 85 N 0.18 3.30 0.00 6.30 0.00 -1.26 -4.82 121.76 125.46 2j55 s ALA 85 Ca -0.01 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2j55 s ALA 85 Cb -0.02 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2j55 s ALA 85 CO -0.01 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 2j55 n GLY 86 N 0.66 0.20 3.28 0.00 0.00 -0.82 -4.97 105.19 103.53 2j55 n GLY 86 Ca 0.03 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 2j55 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j55 s THR 87 N -1.99 2.26 -0.18 2.61 2.01 -1.26 -0.38 115.64 118.71 2j55 s THR 87 Ca 0.00 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 2j55 s THR 87 Cb 0.00 -1.86 0.05 0.00 0.01 0.00 0.00 72.50 70.70 2j55 s THR 87 CO 0.00 0.56 0.00 -0.31 -0.69 0.00 0.00 174.62 174.18 2j55 s TYR 88 N 0.08 1.32 0.44 4.92 2.02 -0.16 -4.99 117.35 120.98 2j55 s TYR 88 Ca -0.10 -0.96 -0.12 0.00 -0.37 0.00 0.00 57.07 55.52 2j55 s TYR 88 Cb -0.16 -1.14 -0.07 0.00 -0.40 0.00 0.00 41.96 40.20 2j55 s TYR 88 CO 0.06 -0.60 0.83 -0.51 -1.57 0.00 0.00 175.55 173.76 2j55 s ASP 89 N 1.76 6.55 0.15 2.29 1.01 -1.26 -0.97 116.67 126.19 2j55 s ASP 89 Ca -0.01 1.26 -0.13 0.00 0.71 0.00 0.00 52.55 54.38 2j55 s ASP 89 Cb -0.16 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2j55 s ASP 89 CO -0.07 -0.46 0.37 -0.72 0.21 0.00 0.00 175.17 174.50 2j55 s TYR 90 N -2.45 0.06 0.26 4.23 1.13 -0.75 -4.50 117.35 115.33 2j55 s TYR 90 Ca 0.53 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.70 2j55 s TYR 90 Cb -0.10 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.91 2j55 s TYR 90 CO 0.32 -0.75 0.40 -3.38 -2.51 0.00 0.00 175.55 169.62 2j55 s HIS 91 N -3.89 0.71 -0.27 -3.49 -3.43 -0.83 -0.94 115.29 103.16 2j55 s HIS 91 Ca 0.10 -1.01 -0.15 0.00 -0.80 0.00 0.00 55.06 53.20 2j55 s HIS 91 Cb 0.02 -0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 2j55 s HIS 91 CO -0.05 -0.95 0.37 0.00 -2.00 0.00 0.00 174.74 172.11 2j55 h THR 93 N 5.38 0.36 0.00 0.00 2.02 -1.93 0.46 112.91 119.19 2j55 h THR 93 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2j55 h THR 93 Cb 1.16 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2j55 h THR 93 CO 0.64 0.00 0.00 1.55 0.37 0.00 0.00 175.52 178.08 2j55 h PRO 94 N -0.10 0.00 -2.56 6.66 0.13 -1.95 -3.39 132.00 130.79 2j55 h PRO 94 Ca 0.23 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.76 2j55 h PRO 94 Cb 0.46 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.18 2j55 h PRO 94 CO -0.56 0.00 -0.63 0.72 -0.23 0.00 0.00 178.00 177.30 2j55 n HIS 95 N -2.66 3.05 0.02 1.56 8.25 0.16 -4.96 115.22 120.65 2j55 n HIS 95 Ca 0.03 -4.15 0.22 0.00 -0.26 0.00 0.00 57.72 53.57 2j55 n HIS 95 Cb 0.39 -0.54 0.70 0.00 1.12 0.00 0.00 29.99 31.67 2j55 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2j55 h PRO 96 N 4.74 0.00 0.00 -0.41 0.11 -1.73 0.27 132.00 134.97 2j55 h PRO 96 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2j55 h PRO 96 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2j55 h PRO 96 CO 0.75 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 2j55 h PHE 97 N 0.00 0.00 -3.57 0.65 -5.15 -1.93 -3.40 116.94 103.54 2j55 h PHE 97 Ca 0.26 0.00 -0.60 0.00 -0.20 0.00 0.00 57.97 57.43 2j55 h PHE 97 Cb 1.42 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 37.48 2j55 h PHE 97 CO 0.00 0.00 0.52 -1.64 -2.00 0.00 0.00 178.31 175.19 2j55 s MET 98 N -3.54 3.67 0.00 6.09 -1.94 0.08 -5.03 119.30 118.64 2j55 s MET 98 Ca 0.02 0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.34 2j55 s MET 98 Cb 0.09 -3.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.06 2j55 s MET 98 CO 0.46 -1.04 -0.12 1.03 -0.01 0.00 0.00 175.02 175.34 2j55 s ARG 99 N 3.47 0.91 0.29 2.03 0.52 -1.26 -2.25 118.95 122.66 2j55 s ARG 99 Ca 0.35 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 2j55 s ARG 99 Cb -0.12 -0.88 -0.03 0.00 0.52 0.00 0.00 34.95 34.44 2j55 s ARG 99 CO 0.21 0.24 0.22 0.20 0.02 0.00 0.00 175.30 176.19 2j55 s GLY 100 N -0.53 2.05 -0.05 -3.53 0.00 -0.11 -4.79 107.32 100.36 2j55 s GLY 100 Ca 0.03 -1.91 -0.03 0.00 0.00 0.00 0.00 44.72 42.81 2j55 s GLY 100 CO 0.00 -1.47 0.12 1.25 0.00 0.00 0.00 173.10 172.99 2j55 s LYS 101 N -3.70 0.11 -0.19 2.90 2.20 -0.09 -1.80 119.74 119.16 2j55 s LYS 101 Ca 0.39 0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 56.18 2j55 s LYS 101 Cb 0.04 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.31 2j55 s LYS 101 CO 0.22 -0.07 -0.03 0.08 -0.36 0.00 0.00 175.35 175.19 2j55 s VAL 102 N 0.45 3.72 -0.34 4.02 1.01 -0.15 -0.64 120.40 128.48 2j55 s VAL 102 Ca -0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2j55 s VAL 102 Cb -0.05 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2j55 s VAL 102 CO -0.02 0.44 0.18 -0.69 0.00 0.00 0.00 175.10 175.02 2j55 s VAL 103 N 0.98 4.68 -0.21 2.92 1.01 0.27 -0.99 120.40 129.06 2j55 s VAL 103 Ca 0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2j55 s VAL 103 Cb -0.14 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2j55 s VAL 103 CO 0.01 -0.06 0.03 -0.69 0.00 0.00 0.00 175.10 174.39 2j55 s VAL 104 N 1.61 4.19 -0.82 2.92 1.01 0.49 -1.01 120.40 128.79 2j55 s VAL 104 Ca 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2j55 s VAL 104 Cb -0.18 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.34 2j55 s VAL 104 CO 0.07 0.41 0.71 -0.62 0.00 0.00 0.00 175.10 175.67