#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaj n LYS 2 N 0.00 2.62 -3.87 -1.24 5.02 0.98 -4.93 118.16 116.73 1aaj n LYS 2 Ca 0.00 -2.16 -0.11 0.00 -2.02 0.00 0.00 58.31 54.02 1aaj n LYS 2 Cb 0.00 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 1aaj n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aaj s ALA 3 N -1.04 -0.33 0.08 7.82 0.00 -1.26 -0.69 121.76 126.35 1aaj s ALA 3 Ca 0.30 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1aaj s ALA 3 Cb 0.16 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1aaj s ALA 3 CO 0.22 -0.20 -0.13 0.99 0.00 0.00 0.00 175.76 176.63 1aaj s THR 4 N -1.33 3.18 -0.30 0.00 2.01 0.03 -4.94 115.64 114.28 1aaj s THR 4 Ca -0.14 -1.24 -0.03 0.00 0.31 0.00 0.00 61.69 60.58 1aaj s THR 4 Cb -0.07 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 70.04 1aaj s THR 4 CO 0.02 0.19 0.02 -0.63 -0.69 0.00 0.00 174.62 173.52 1aaj s ILE 5 N -1.12 3.24 0.13 1.82 1.01 -1.26 -1.24 121.20 123.78 1aaj s ILE 5 Ca 0.19 -1.21 -0.16 0.00 0.00 0.00 0.00 60.65 59.47 1aaj s ILE 5 Cb -0.11 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 1aaj s ILE 5 CO 0.11 -0.06 1.67 -0.65 0.00 0.00 0.00 174.94 176.01 1aaj h PRO 6 N 8.07 0.60 -3.94 2.79 0.11 -1.97 -3.42 132.00 134.24 1aaj h PRO 6 Ca -0.24 -0.12 -0.45 0.00 0.11 0.00 0.00 66.00 65.30 1aaj h PRO 6 Cb 1.08 -0.09 -0.36 0.00 0.11 0.00 0.00 31.00 31.73 1aaj h PRO 6 CO 0.56 0.58 -0.78 0.45 -0.21 0.00 0.00 178.00 178.60 1aaj s SER 7 N -5.88 1.55 0.20 -2.05 0.15 -1.26 -5.02 113.70 101.39 1aaj s SER 7 Ca -0.13 -0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.29 1aaj s SER 7 Cb 0.10 -0.55 0.14 0.00 -1.71 0.00 0.00 66.02 64.00 1aaj s SER 7 CO 0.75 -0.13 1.67 -0.33 1.20 0.00 0.00 173.24 176.40 1aaj h GLU 8 N 7.92 1.00 -6.79 5.44 4.39 -1.96 -3.43 114.58 121.15 1aaj h GLU 8 Ca -0.27 -0.31 -0.48 0.00 0.34 0.00 0.00 59.36 58.63 1aaj h GLU 8 Cb 1.14 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1aaj h GLU 8 CO 0.36 0.99 0.23 0.45 -1.16 0.00 0.00 179.01 179.87 1aaj s SER 9 N -6.60 7.08 0.76 1.42 0.15 -1.26 -4.65 113.70 110.60 1aaj s SER 9 Ca -0.11 1.58 -0.15 0.00 0.70 0.00 0.00 55.95 57.97 1aaj s SER 9 Cb 0.14 -2.49 0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1aaj s SER 9 CO 0.85 -0.11 1.13 -2.65 1.20 0.00 0.00 173.24 173.65 1aaj n PRO 10 N 0.23 0.40 -4.31 5.44 -0.02 -1.26 -4.94 135.00 130.53 1aaj n PRO 10 Ca 0.02 0.20 -0.16 0.00 -2.02 0.00 0.00 63.50 61.54 1aaj n PRO 10 Cb 0.52 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 1aaj n PRO 10 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1aaj s PHE 11 N -1.93 1.51 0.46 6.00 -0.71 -0.36 -4.90 117.98 118.05 1aaj s PHE 11 Ca 0.74 -1.24 -0.22 0.00 -1.04 0.00 0.00 56.93 55.17 1aaj s PHE 11 Cb -0.32 -0.86 -0.08 0.00 -1.21 0.00 0.00 43.02 40.56 1aaj s PHE 11 CO 0.49 -0.40 1.12 0.00 -1.34 0.00 0.00 175.22 175.10 1aaj s ALA 12 N -3.77 2.95 0.48 1.99 0.00 -1.26 0.27 121.76 122.43 1aaj s ALA 12 Ca 0.37 0.83 0.19 0.00 0.00 0.00 0.00 51.96 53.35 1aaj s ALA 12 Cb 0.07 -3.34 1.20 0.00 0.00 0.00 0.00 23.12 21.05 1aaj s ALA 12 CO 0.14 -0.54 2.00 0.00 0.00 0.00 0.00 175.76 177.37 1aaj h ALA 13 N 1.99 2.21 0.00 0.00 0.00 -1.42 0.79 119.26 122.83 1aaj h ALA 13 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1aaj h ALA 13 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1aaj h ALA 13 CO 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1aaj h ALA 14 N 1.75 1.00 -0.59 0.00 0.00 -1.91 -2.65 119.26 116.86 1aaj h ALA 14 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1aaj h ALA 14 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1aaj h ALA 14 CO -0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.60 1aaj n GLU 15 N -2.67 2.49 -2.19 0.00 1.02 0.27 -4.94 120.64 114.61 1aaj n GLU 15 Ca -0.00 -2.30 -0.41 0.00 -0.02 0.00 0.00 57.16 54.43 1aaj n GLU 15 Cb 0.19 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1aaj n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1aaj s VAL 16 N -1.22 2.98 0.61 2.62 1.01 -1.00 -4.96 120.40 120.44 1aaj s VAL 16 Ca 0.43 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.13 1aaj s VAL 16 Cb 0.23 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1aaj s VAL 16 CO 0.30 0.19 1.19 0.00 0.00 0.00 0.00 175.10 176.78 1aaj n ALA 17 N 1.56 0.90 -0.17 5.51 0.00 -1.26 -4.95 120.51 122.09 1aaj n ALA 17 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 1aaj n ALA 17 Cb 0.42 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.69 1aaj n ALA 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1aaj h ASP 18 N 0.71 0.18 -0.63 0.00 3.32 -1.99 -2.07 116.42 115.94 1aaj h ASP 18 Ca -0.50 0.06 -0.35 0.00 0.02 0.00 0.00 57.03 56.27 1aaj h ASP 18 Cb 1.34 0.05 -0.19 0.00 0.22 0.00 0.00 39.33 40.75 1aaj h ASP 18 CO 0.53 0.13 0.45 0.61 -1.72 0.00 0.00 179.24 179.24 1aaj n GLY 19 N -1.27 3.79 3.75 2.75 0.00 -1.26 -4.97 105.19 107.98 1aaj n GLY 19 Ca 0.06 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1aaj n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaj s ALA 20 N -2.15 3.35 -0.51 4.61 0.00 -0.78 -5.00 121.76 121.27 1aaj s ALA 20 Ca 0.37 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 1aaj s ALA 20 Cb 0.31 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1aaj s ALA 20 CO 0.05 -0.04 0.72 0.42 0.00 0.00 0.00 175.76 176.91 1aaj s ILE 21 N -0.72 4.73 -0.16 0.00 1.01 -1.24 -4.98 121.20 119.86 1aaj s ILE 21 Ca 0.45 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.79 1aaj s ILE 21 Cb -0.28 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 1aaj s ILE 21 CO 0.35 -0.88 0.07 -0.69 0.00 0.00 0.00 174.94 173.79 1aaj s VAL 22 N 3.01 4.92 -0.22 2.92 1.01 -1.26 -0.18 120.40 130.60 1aaj s VAL 22 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1aaj s VAL 22 Cb -0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1aaj s VAL 22 CO 0.14 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1aaj s VAL 23 N -0.08 3.39 0.29 2.92 1.01 0.09 -4.97 120.40 123.04 1aaj s VAL 23 Ca 0.07 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 1aaj s VAL 23 Cb -0.12 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1aaj s VAL 23 CO 0.01 0.40 0.80 -1.81 0.00 0.00 0.00 175.10 174.50 1aaj s ASP 24 N 1.48 7.04 -0.23 3.32 1.01 -1.26 -0.99 116.67 127.03 1aaj s ASP 24 Ca 0.06 1.50 -0.03 0.00 0.71 0.00 0.00 52.55 54.79 1aaj s ASP 24 Cb -0.14 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1aaj s ASP 24 CO -0.03 -0.08 -0.05 -0.63 0.21 0.00 0.00 175.17 174.58 1aaj s ILE 25 N -1.72 3.16 0.02 0.77 1.01 0.18 -0.75 121.20 123.87 1aaj s ILE 25 Ca 0.49 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 1aaj s ILE 25 Cb -0.15 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.87 1aaj s ILE 25 CO 0.20 0.34 0.49 0.00 0.00 0.00 0.00 174.94 175.97 1aaj s ALA 26 N 1.42 -1.25 -1.41 9.38 0.00 -0.78 -1.21 121.76 127.91 1aaj s ALA 26 Ca 0.04 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1aaj s ALA 26 Cb -0.15 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.28 1aaj s ALA 26 CO -0.04 -0.44 1.01 1.63 0.00 0.00 0.00 175.76 177.93 1aaj n LYS 27 N 0.64 -6.39 -3.70 0.00 5.02 -1.26 -1.66 118.16 110.81 1aaj n LYS 27 Ca -0.19 0.70 -0.28 0.00 -2.02 0.00 0.00 58.31 56.52 1aaj n LYS 27 Cb 0.59 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1aaj n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1aaj n MET 28 N -4.68 -4.20 -3.88 1.97 2.81 -1.26 -4.98 117.12 102.89 1aaj n MET 28 Ca -0.05 0.53 -0.11 0.00 -1.81 0.00 0.00 57.70 56.26 1aaj n MET 28 Cb 0.57 -5.32 -0.10 0.00 -0.71 0.00 0.00 33.22 27.66 1aaj n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1aaj s LYS 29 N -6.38 0.43 -0.21 0.03 1.02 -0.67 -4.78 119.74 109.18 1aaj s LYS 29 Ca 0.56 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.90 1aaj s LYS 29 Cb -0.29 0.17 -0.00 0.00 -0.52 0.00 0.00 37.83 37.19 1aaj s LYS 29 CO 0.68 -0.10 0.91 0.71 -0.92 0.00 0.00 175.35 176.64 1aaj s TYR 30 N -1.26 3.37 0.41 3.18 2.02 -1.26 -1.88 117.35 121.93 1aaj s TYR 30 Ca -0.14 1.31 0.25 0.00 -0.37 0.00 0.00 57.07 58.12 1aaj s TYR 30 Cb -0.07 -3.12 1.35 0.00 -0.40 0.00 0.00 41.96 39.72 1aaj s TYR 30 CO 0.01 -0.36 2.05 0.93 -1.57 0.00 0.00 175.55 176.60 1aaj h GLU 31 N 7.46 0.00 -3.36 -0.62 5.08 -1.25 -3.26 114.58 118.64 1aaj h GLU 31 Ca -0.24 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.48 1aaj h GLU 31 Cb 1.10 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.94 1aaj h GLU 31 CO 0.89 0.14 -0.63 0.99 -1.00 0.00 0.00 179.01 179.40 1aaj s THR 32 N -4.23 2.54 0.12 1.13 2.01 -1.26 -4.98 115.64 110.95 1aaj s THR 32 Ca -0.03 -3.31 0.28 0.00 0.31 0.00 0.00 61.69 58.94 1aaj s THR 32 Cb 0.13 -2.76 0.30 0.00 0.01 0.00 0.00 72.50 70.18 1aaj s THR 32 CO 0.61 -0.81 1.89 1.55 -0.69 0.00 0.00 174.62 177.16 1aaj h PRO 33 N 6.48 0.00 -4.31 4.92 0.13 -1.89 -3.38 132.00 133.94 1aaj h PRO 33 Ca -0.07 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.45 1aaj h PRO 33 Cb 0.89 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.64 1aaj h PRO 33 CO 0.68 0.13 -0.78 -2.00 -0.23 0.00 0.00 178.00 175.80 1aaj s GLU 34 N -3.67 1.56 -0.07 0.86 2.12 -1.26 -0.46 118.70 117.78 1aaj s GLU 34 Ca 0.01 -1.00 0.03 0.00 0.36 0.00 0.00 54.97 54.37 1aaj s GLU 34 Cb 0.10 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 1aaj s GLU 34 CO 0.60 -0.62 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.36 1aaj s LEU 35 N 1.40 2.53 -0.15 2.70 0.20 -0.86 -5.02 118.68 119.49 1aaj s LEU 35 Ca -0.05 -0.32 -0.01 0.00 0.69 0.00 0.00 54.13 54.44 1aaj s LEU 35 Cb -0.19 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 1aaj s LEU 35 CO -0.07 0.27 -0.12 -1.00 -0.29 0.00 0.00 176.35 175.14 1aaj s HIS 36 N -0.28 2.84 0.21 5.38 3.76 -1.26 -0.49 115.29 125.45 1aaj s HIS 36 Ca 0.01 -0.80 -0.00 0.00 -0.15 0.00 0.00 55.06 54.12 1aaj s HIS 36 Cb -0.13 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 1aaj s HIS 36 CO 0.03 -0.34 0.10 0.54 -0.85 0.00 0.00 174.74 174.22 1aaj s VAL 37 N 0.68 0.23 0.35 -0.90 0.11 -0.29 -4.98 120.40 115.61 1aaj s VAL 37 Ca -0.06 -1.99 0.09 0.00 -2.93 0.00 0.00 61.98 57.09 1aaj s VAL 37 Cb -0.15 -2.47 -0.05 0.00 -1.53 0.00 0.00 36.38 32.17 1aaj s VAL 37 CO 0.02 -0.08 0.04 -1.59 -3.33 0.00 0.00 175.10 170.16 1aaj s LYS 38 N -4.09 2.12 0.10 1.54 -2.85 -1.26 -0.96 119.74 114.34 1aaj s LYS 38 Ca 0.36 -1.75 -0.35 0.00 -1.00 0.00 0.00 55.97 53.23 1aaj s LYS 38 Cb 0.07 -1.95 -0.15 0.00 -2.06 0.00 0.00 37.83 33.75 1aaj s LYS 38 CO 0.11 0.10 1.55 0.28 0.10 0.00 0.00 175.35 177.49 1aaj n VAL 39 N -1.01 0.07 -0.03 1.79 0.31 -0.95 -1.57 118.33 116.94 1aaj n VAL 39 Ca -0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1aaj n VAL 39 Cb 0.63 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1aaj n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aaj n GLY 40 N 3.29 0.39 3.79 2.92 0.00 0.95 -5.02 105.19 111.51 1aaj n GLY 40 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1aaj n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aaj s ASP 41 N -2.41 7.07 -0.19 1.61 1.01 -0.61 -4.75 116.67 118.40 1aaj s ASP 41 Ca 0.00 1.90 -0.14 0.00 0.71 0.00 0.00 52.55 55.03 1aaj s ASP 41 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1aaj s ASP 41 CO 0.00 -0.26 0.30 -0.89 0.21 0.00 0.00 175.17 174.52 1aaj s THR 42 N -1.69 5.28 -0.12 -1.27 2.01 -1.26 -1.47 115.64 117.12 1aaj s THR 42 Ca 0.54 0.52 -0.06 0.00 0.31 0.00 0.00 61.69 63.00 1aaj s THR 42 Cb -0.19 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1aaj s THR 42 CO 0.24 0.33 0.09 -0.69 -0.69 0.00 0.00 174.62 173.90 1aaj s VAL 43 N 0.90 5.03 -0.14 3.82 1.01 0.10 -3.59 120.40 127.54 1aaj s VAL 43 Ca 0.15 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1aaj s VAL 43 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1aaj s VAL 43 CO 0.05 0.58 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 1aaj s THR 44 N -0.69 1.78 -0.02 3.92 2.01 0.75 -1.18 115.64 122.21 1aaj s THR 44 Ca 0.12 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 1aaj s THR 44 Cb -0.12 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1aaj s THR 44 CO 0.03 0.50 0.41 0.26 -0.69 0.00 0.00 174.62 175.12 1aaj s TRP 45 N 1.11 3.70 -0.10 4.92 0.51 -0.06 -0.73 118.94 128.28 1aaj s TRP 45 Ca -0.02 0.97 0.02 0.00 -2.12 0.00 0.00 56.10 54.95 1aaj s TRP 45 Cb -0.14 -2.31 0.01 0.00 -0.81 0.00 0.00 33.47 30.22 1aaj s TRP 45 CO -0.06 0.59 -0.15 0.42 -0.51 0.00 0.00 176.95 177.24 1aaj s ILE 46 N -0.87 1.46 -0.33 2.03 1.01 -0.16 -1.83 121.20 122.51 1aaj s ILE 46 Ca 0.24 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 1aaj s ILE 46 Cb -0.16 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1aaj s ILE 46 CO 0.13 0.43 0.94 0.21 0.00 0.00 0.00 174.94 176.65 1aaj s ASN 47 N 0.95 6.76 0.00 3.58 3.04 -0.56 -0.65 114.94 128.06 1aaj s ASN 47 Ca -0.08 0.77 0.23 0.00 0.04 0.00 0.00 52.86 53.82 1aaj s ASN 47 Cb -0.15 -2.48 0.49 0.00 -1.54 0.00 0.00 41.25 37.57 1aaj s ASN 47 CO -0.01 -0.80 1.43 0.54 -3.04 0.00 0.00 177.10 175.23 1aaj n ARG 48 N 6.64 2.35 -4.38 0.43 5.12 -0.35 -0.00 116.66 126.48 1aaj n ARG 48 Ca 0.08 -2.04 -0.19 0.00 -1.93 0.00 0.00 57.85 53.76 1aaj n ARG 48 Cb 0.48 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.19 1aaj n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1aaj s GLU 49 N -1.56 1.44 0.32 5.56 -1.05 -1.26 -4.78 118.70 117.38 1aaj s GLU 49 Ca 0.37 -1.72 0.05 0.00 -0.15 0.00 0.00 54.97 53.52 1aaj s GLU 49 Cb 0.22 -0.92 0.56 0.00 -0.44 0.00 0.00 34.13 33.55 1aaj s GLU 49 CO 0.30 -0.01 1.82 0.00 0.95 0.00 0.00 175.26 178.32 1aaj h ALA 50 N 2.38 1.29 -2.45 -0.84 0.00 -1.95 -3.28 119.26 114.40 1aaj h ALA 50 Ca -0.39 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 1aaj h ALA 50 Cb 1.23 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1aaj h ALA 50 CO 0.66 0.47 0.85 1.41 0.00 0.00 0.00 179.25 182.64 1aaj s MET 51 N -4.70 4.27 0.44 0.00 0.00 -1.26 -4.48 119.30 113.58 1aaj s MET 51 Ca -0.07 2.11 -0.25 0.00 0.00 0.00 0.00 55.69 57.48 1aaj s MET 51 Cb 0.15 -3.47 -0.08 0.00 0.00 0.00 0.00 34.83 31.42 1aaj s MET 51 CO 0.77 -0.58 1.34 -2.14 0.00 0.00 0.00 175.02 174.41 1aaj s PRO 52 N 2.06 3.76 0.11 4.11 0.02 -1.26 -4.84 135.00 138.95 1aaj s PRO 52 Ca 0.67 2.23 -0.03 0.00 0.02 0.00 0.00 61.00 63.89 1aaj s PRO 52 Cb -0.36 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 1aaj s PRO 52 CO 0.29 -0.69 0.07 -1.01 -0.33 0.00 0.00 177.00 175.33 1aaj s HIS 53 N -1.26 0.66 0.20 6.54 3.76 -1.06 -4.92 115.29 119.20 1aaj s HIS 53 Ca 0.60 -1.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1aaj s HIS 53 Cb -0.40 -0.37 -0.00 0.00 1.11 0.00 0.00 32.58 32.92 1aaj s HIS 53 CO 0.50 -0.51 0.23 0.27 -0.85 0.00 0.00 174.74 174.39 1aaj n ASN 54 N -0.05 -0.64 -4.34 1.40 6.94 -1.26 -0.79 115.26 116.52 1aaj n ASN 54 Ca -0.09 -2.14 -0.30 0.00 -0.02 0.00 0.00 54.58 52.02 1aaj n ASN 54 Cb 0.63 1.26 -0.15 0.00 -2.36 0.00 0.00 39.78 39.16 1aaj n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1aaj s VAL 55 N -2.69 2.15 -0.05 3.53 -7.23 -1.26 -4.34 120.40 110.51 1aaj s VAL 55 Ca 0.19 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1aaj s VAL 55 Cb 0.00 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 35.16 1aaj s VAL 55 CO 0.13 0.43 0.02 -2.28 -0.31 0.00 0.00 175.10 173.10 1aaj s HIS 56 N -0.75 0.35 -0.17 2.82 5.04 0.44 -0.86 115.29 122.16 1aaj s HIS 56 Ca 0.11 0.03 -0.02 0.00 -1.54 0.00 0.00 55.06 53.64 1aaj s HIS 56 Cb -0.10 -0.57 -0.02 0.00 0.04 0.00 0.00 32.58 31.93 1aaj s HIS 56 CO 0.01 -0.22 -0.07 -0.06 -2.34 0.00 0.00 174.74 172.06 1aaj s PHE 57 N 1.77 2.92 0.94 3.88 0.40 0.22 -1.62 117.98 126.50 1aaj s PHE 57 Ca 0.01 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.57 1aaj s PHE 57 Cb -0.13 -1.97 0.16 0.00 0.51 0.00 0.00 43.02 41.60 1aaj s PHE 57 CO -0.03 -0.28 1.10 0.14 0.70 0.00 0.00 175.22 176.85 1aaj s VAL 58 N 0.74 2.26 0.34 -0.44 -7.23 -1.26 -1.04 120.40 113.76 1aaj s VAL 58 Ca -0.03 0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 59.94 1aaj s VAL 58 Cb -0.15 -2.65 -0.12 0.00 0.56 0.00 0.00 36.38 34.02 1aaj s VAL 58 CO 0.02 -0.11 1.33 0.00 -0.31 0.00 0.00 175.10 176.03 1aaj n ALA 59 N -3.97 1.45 -0.06 1.32 0.00 -1.26 -2.46 120.51 115.53 1aaj n ALA 59 Ca 0.06 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1aaj n ALA 59 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1aaj n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aaj n GLY 60 N 0.90 1.38 0.07 0.00 0.00 0.11 -4.89 105.19 102.75 1aaj n GLY 60 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1aaj n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1aaj h VAL 61 N 0.00 0.15 0.00 1.61 2.07 -1.78 -3.40 116.25 114.89 1aaj h VAL 61 Ca 0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1aaj h VAL 61 Cb 0.00 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1aaj h VAL 61 CO 0.00 0.05 -1.06 0.18 0.02 0.00 0.00 177.57 176.76 1aaj n LEU 62 N -4.66 0.89 0.00 2.57 4.77 -1.26 -4.90 117.00 114.40 1aaj n LEU 62 Ca -0.06 -0.46 0.01 0.00 -0.03 0.00 0.00 56.01 55.47 1aaj n LEU 62 Cb 0.21 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1aaj n LEU 62 CO 0.08 0.22 0.47 0.61 -1.33 0.00 0.00 177.39 177.44 1aaj n GLY 63 N 1.47 0.54 0.16 -0.72 0.00 -1.26 -0.02 105.19 105.36 1aaj n GLY 63 Ca 0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1aaj n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aaj h GLU 64 N 0.00 0.46 -6.93 1.61 5.08 -1.96 0.30 114.58 113.14 1aaj h GLU 64 Ca -0.10 -0.07 -0.47 0.00 -1.00 0.00 0.00 59.36 57.72 1aaj h GLU 64 Cb 0.52 -0.08 0.04 0.00 0.50 0.00 0.00 28.75 29.74 1aaj h GLU 64 CO 0.14 0.45 0.06 0.00 -1.00 0.00 0.00 179.01 178.66 1aaj s ALA 65 N -5.64 3.49 0.56 3.43 0.00 -1.26 -2.84 121.76 119.49 1aaj s ALA 65 Ca -0.13 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 1aaj s ALA 65 Cb 0.09 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1aaj s ALA 65 CO 0.73 -0.59 1.11 0.00 0.00 0.00 0.00 175.76 177.01 1aaj s ALA 66 N -2.79 2.68 -0.35 0.00 0.00 -1.26 -4.12 121.76 115.92 1aaj s ALA 66 Ca 0.51 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 53.19 1aaj s ALA 66 Cb -0.10 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.78 1aaj s ALA 66 CO 0.42 -0.79 0.09 -1.17 0.00 0.00 0.00 175.76 174.31 1aaj s LEU 67 N -3.98 4.65 -0.48 0.00 2.96 -0.21 -4.89 118.68 116.73 1aaj s LEU 67 Ca 0.70 -1.84 -0.12 0.00 -0.22 0.00 0.00 54.13 52.65 1aaj s LEU 67 Cb -0.22 -1.72 0.11 0.00 0.50 0.00 0.00 46.19 44.86 1aaj s LEU 67 CO 0.29 -0.40 0.39 -0.75 -1.32 0.00 0.00 176.35 174.55 1aaj s LYS 68 N 1.09 2.74 0.87 1.98 2.20 -1.26 -0.61 119.74 126.75 1aaj s LYS 68 Ca 0.04 -1.63 -0.11 0.00 -0.36 0.00 0.00 55.97 53.92 1aaj s LYS 68 Cb -0.21 -4.05 0.11 0.00 -1.51 0.00 0.00 37.83 32.18 1aaj s LYS 68 CO -0.05 -1.17 1.10 0.20 -0.36 0.00 0.00 175.35 175.08 1aaj s GLY 69 N 2.85 1.65 0.63 5.54 0.00 -0.04 -5.00 107.32 112.95 1aaj s GLY 69 Ca 0.04 0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.82 1aaj s GLY 69 CO 0.02 0.66 1.19 2.56 0.00 0.00 0.00 173.10 177.53 1aaj s PRO 70 N -4.82 2.80 0.12 2.90 0.04 -1.26 -4.62 135.00 130.15 1aaj s PRO 70 Ca 0.64 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 63.11 1aaj s PRO 70 Cb -0.19 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1aaj s PRO 70 CO 0.57 -1.32 1.30 -1.64 0.04 0.00 0.00 177.00 175.96 1aaj s MET 71 N -3.55 4.38 -0.24 4.56 -1.94 -1.26 -4.55 119.30 116.69 1aaj s MET 71 Ca 0.75 1.96 -0.09 0.00 -1.71 0.00 0.00 55.69 56.60 1aaj s MET 71 Cb -0.28 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 1aaj s MET 71 CO 0.36 -0.33 0.13 -1.64 -0.01 0.00 0.00 175.02 173.54 1aaj s MET 72 N 0.79 3.92 1.04 2.03 -1.94 0.03 -4.84 119.30 120.34 1aaj s MET 72 Ca 0.61 -0.34 -0.18 0.00 -1.71 0.00 0.00 55.69 54.07 1aaj s MET 72 Cb -0.34 -3.47 0.24 0.00 2.01 0.00 0.00 34.83 33.27 1aaj s MET 72 CO 0.32 -0.03 1.29 1.63 -0.01 0.00 0.00 175.02 178.21 1aaj n LYS 73 N 4.54 -1.71 -1.70 2.03 4.01 -1.26 -2.55 118.16 121.52 1aaj n LYS 73 Ca -0.15 -2.01 -0.44 0.00 -0.51 0.00 0.00 58.31 55.20 1aaj n LYS 73 Cb 0.52 -1.44 -0.03 0.00 -0.51 0.00 0.00 35.03 33.57 1aaj n LYS 73 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1aaj n LYS 74 N -4.07 2.33 -2.75 1.97 3.00 -1.24 -1.76 118.16 115.64 1aaj n LYS 74 Ca 0.16 0.83 -0.19 0.00 -0.00 0.00 0.00 58.31 59.11 1aaj n LYS 74 Cb 0.59 -2.57 0.01 0.00 0.00 0.00 0.00 35.03 33.05 1aaj n LYS 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1aaj n GLU 75 N 2.53 -3.05 -4.19 1.64 -0.58 0.99 -5.00 120.64 112.98 1aaj n GLU 75 Ca 0.12 0.78 -0.22 0.00 -0.42 0.00 0.00 57.16 57.42 1aaj n GLU 75 Cb 0.33 -5.49 -0.06 0.00 -0.57 0.00 0.00 31.44 25.65 1aaj n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1aaj s GLN 76 N -5.39 2.60 0.11 3.49 -0.21 -0.72 -1.14 119.66 118.39 1aaj s GLN 76 Ca 0.15 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.29 1aaj s GLN 76 Cb -0.07 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 1aaj s GLN 76 CO 0.19 0.36 -0.03 0.00 -2.12 0.00 0.00 175.29 173.70 1aaj s ALA 77 N -2.24 0.92 -0.17 6.09 0.00 0.14 -1.49 121.76 125.01 1aaj s ALA 77 Ca 0.33 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 1aaj s ALA 77 Cb -0.07 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1aaj s ALA 77 CO 0.23 -0.32 0.45 -0.47 0.00 0.00 0.00 175.76 175.65 1aaj s TYR 78 N -3.76 -0.54 0.13 0.00 5.04 -0.76 -1.23 117.35 116.24 1aaj s TYR 78 Ca 0.15 1.26 0.11 0.00 -2.44 0.00 0.00 57.07 56.14 1aaj s TYR 78 Cb 0.06 0.21 -0.04 0.00 0.35 0.00 0.00 41.96 42.54 1aaj s TYR 78 CO -0.03 -0.27 -0.26 -1.12 -1.34 0.00 0.00 175.55 172.53 1aaj s SER 79 N 0.53 3.22 -0.02 4.32 0.01 -1.26 -0.88 113.70 119.63 1aaj s SER 79 Ca -0.02 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1aaj s SER 79 Cb -0.04 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.99 1aaj s SER 79 CO -0.03 0.15 -0.00 -0.76 0.41 0.00 0.00 173.24 173.01 1aaj s LEU 80 N -2.12 1.54 -0.25 2.44 1.43 -0.33 -4.24 118.68 117.14 1aaj s LEU 80 Ca 0.14 -0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1aaj s LEU 80 Cb -0.10 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 1aaj s LEU 80 CO 0.06 -0.05 0.14 -0.89 0.23 0.00 0.00 176.35 175.84 1aaj s THR 81 N 0.54 4.99 -0.14 5.49 2.01 -0.38 -0.72 115.64 127.44 1aaj s THR 81 Ca -0.05 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 1aaj s THR 81 Cb -0.08 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1aaj s THR 81 CO -0.01 0.32 0.53 -0.36 -0.69 0.00 0.00 174.62 174.41 1aaj s PHE 82 N 1.42 3.48 -1.50 4.92 0.40 -0.54 -0.79 117.98 125.37 1aaj s PHE 82 Ca 0.06 0.92 0.13 0.00 -0.60 0.00 0.00 56.93 57.44 1aaj s PHE 82 Cb -0.15 -2.63 0.08 0.00 0.51 0.00 0.00 43.02 40.83 1aaj s PHE 82 CO 0.07 0.07 0.86 0.25 0.70 0.00 0.00 175.22 177.17 1aaj n THR 83 N 3.96 0.00 -3.77 0.64 -2.24 0.14 -0.04 114.28 112.97 1aaj n THR 83 Ca -0.05 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1aaj n THR 83 Cb 0.51 1.24 -0.12 0.00 -2.10 0.00 0.00 70.33 69.87 1aaj n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1aaj s GLU 84 N -1.19 0.30 0.62 -0.78 2.12 -1.25 -4.77 118.70 113.75 1aaj s GLU 84 Ca 0.14 0.42 -0.19 0.00 0.36 0.00 0.00 54.97 55.70 1aaj s GLU 84 Cb 0.11 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 1aaj s GLU 84 CO 0.20 -0.07 1.27 0.00 -0.54 0.00 0.00 175.26 176.12 1aaj s ALA 85 N 0.40 2.49 0.00 6.30 0.00 -1.26 -4.83 121.76 124.85 1aaj s ALA 85 Ca -0.02 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1aaj s ALA 85 Cb -0.04 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1aaj s ALA 85 CO -0.02 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1aaj n GLY 86 N 0.74 -0.96 3.24 0.00 0.00 -0.34 -4.96 105.19 102.90 1aaj n GLY 86 Ca 0.14 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1aaj n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aaj s THR 87 N -2.17 2.61 -0.32 2.61 2.01 -1.26 -0.69 115.64 118.43 1aaj s THR 87 Ca 0.00 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1aaj s THR 87 Cb 0.00 -2.11 0.09 0.00 0.01 0.00 0.00 72.50 70.49 1aaj s THR 87 CO 0.00 0.51 0.04 -0.31 -0.69 0.00 0.00 174.62 174.17 1aaj s TYR 88 N 0.97 3.30 0.43 4.92 2.02 -0.11 -4.98 117.35 123.89 1aaj s TYR 88 Ca -0.02 -2.66 -0.22 0.00 -0.37 0.00 0.00 57.07 53.79 1aaj s TYR 88 Cb -0.15 -2.56 -0.10 0.00 -0.40 0.00 0.00 41.96 38.76 1aaj s TYR 88 CO -0.03 -0.92 0.99 -0.51 -1.57 0.00 0.00 175.55 173.51 1aaj s ASP 89 N 1.07 6.79 0.16 2.29 1.01 -1.26 -1.30 116.67 125.42 1aaj s ASP 89 Ca 0.08 1.84 -0.09 0.00 0.71 0.00 0.00 52.55 55.09 1aaj s ASP 89 Cb -0.19 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 1aaj s ASP 89 CO -0.10 -0.46 0.27 -0.72 0.21 0.00 0.00 175.17 174.36 1aaj s TYR 90 N -1.96 0.39 0.28 4.23 1.13 0.43 -4.63 117.35 117.23 1aaj s TYR 90 Ca 0.61 -0.76 0.01 0.00 -1.41 0.00 0.00 57.07 55.52 1aaj s TYR 90 Cb -0.15 -0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1aaj s TYR 90 CO 0.19 -0.70 0.28 -3.38 -2.51 0.00 0.00 175.55 169.43 1aaj s HIS 91 N -3.96 1.33 -0.22 -3.49 -3.43 -0.64 -1.48 115.29 103.40 1aaj s HIS 91 Ca 0.16 -1.43 -0.15 0.00 -0.80 0.00 0.00 55.06 52.84 1aaj s HIS 91 Cb 0.04 -0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 30.67 1aaj s HIS 91 CO -0.01 -0.86 0.36 0.00 -2.00 0.00 0.00 174.74 172.23 1aaj h THR 93 N 5.09 0.44 0.00 0.00 2.02 -1.91 -2.09 112.91 116.45 1aaj h THR 93 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1aaj h THR 93 Cb 1.16 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1aaj h THR 93 CO 0.70 0.00 0.00 1.55 0.37 0.00 0.00 175.52 178.14 1aaj h PRO 94 N -0.41 0.00 -2.11 6.66 0.13 -1.95 -3.36 132.00 130.96 1aaj h PRO 94 Ca 0.05 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.60 1aaj h PRO 94 Cb 0.47 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.19 1aaj h PRO 94 CO -0.19 0.00 -0.83 0.72 -0.23 0.00 0.00 178.00 177.47 1aaj n HIS 95 N -2.96 1.94 0.43 1.56 8.25 -0.82 -4.98 115.22 118.64 1aaj n HIS 95 Ca 0.01 -3.90 0.06 0.00 -0.26 0.00 0.00 57.72 53.63 1aaj n HIS 95 Cb 0.32 -0.47 0.27 0.00 1.12 0.00 0.00 29.99 31.23 1aaj n HIS 95 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1aaj n PRO 96 N 0.96 0.01 0.19 -0.41 -0.04 -0.99 -1.02 135.00 133.69 1aaj n PRO 96 Ca 0.26 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 1aaj n PRO 96 Cb 0.47 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.03 1aaj n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1aaj h PHE 97 N 0.00 0.00 -3.48 0.54 -5.15 -1.94 -3.41 116.94 103.50 1aaj h PHE 97 Ca 0.00 0.00 -0.59 0.00 -0.20 0.00 0.00 57.97 57.18 1aaj h PHE 97 Cb 0.21 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 36.29 1aaj h PHE 97 CO 0.00 0.00 0.62 -1.64 -2.00 0.00 0.00 178.31 175.29 1aaj s MET 98 N -3.49 3.85 0.06 6.09 -1.94 -0.19 -5.02 119.30 118.66 1aaj s MET 98 Ca 0.02 0.60 0.04 0.00 -1.71 0.00 0.00 55.69 54.65 1aaj s MET 98 Cb 0.09 -3.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 1aaj s MET 98 CO 0.43 -0.95 -0.12 1.03 -0.01 0.00 0.00 175.02 175.39 1aaj s ARG 99 N 3.50 0.74 0.33 2.03 1.81 -1.26 -2.30 118.95 123.80 1aaj s ARG 99 Ca 0.39 -0.88 -0.16 0.00 -1.72 0.00 0.00 55.73 53.35 1aaj s ARG 99 Cb -0.12 -0.69 0.03 0.00 -0.45 0.00 0.00 34.95 33.72 1aaj s ARG 99 CO 0.19 0.15 0.70 0.20 -0.68 0.00 0.00 175.30 175.86 1aaj s GLY 100 N -1.64 0.32 0.02 -3.53 0.00 -0.55 -4.78 107.32 97.16 1aaj s GLY 100 Ca -0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 1aaj s GLY 100 CO 0.02 -0.32 0.20 -1.59 0.00 0.00 0.00 173.10 171.40 1aaj s LYS 101 N -3.15 0.62 -0.18 2.90 -2.85 0.39 -0.43 119.74 117.04 1aaj s LYS 101 Ca 0.16 -0.47 -0.01 0.00 -1.00 0.00 0.00 55.97 54.65 1aaj s LYS 101 Cb -0.05 0.26 -0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1aaj s LYS 101 CO 0.10 -0.17 -0.12 0.08 0.10 0.00 0.00 175.35 175.35 1aaj s VAL 102 N -1.93 2.84 -0.36 1.79 1.01 -0.42 -2.02 120.40 121.30 1aaj s VAL 102 Ca -0.10 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1aaj s VAL 102 Cb -0.04 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1aaj s VAL 102 CO -0.00 0.49 0.22 -0.69 0.00 0.00 0.00 175.10 175.11 1aaj s VAL 103 N 1.14 4.81 -0.25 2.92 1.01 0.36 -0.94 120.40 129.45 1aaj s VAL 103 Ca 0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1aaj s VAL 103 Cb -0.14 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1aaj s VAL 103 CO -0.04 -0.16 0.17 -0.69 0.00 0.00 0.00 175.10 174.39 1aaj s VAL 104 N 1.61 5.34 0.00 2.92 1.01 0.13 -1.13 120.40 130.29 1aaj s VAL 104 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1aaj s VAL 104 Cb -0.18 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1aaj s VAL 104 CO 0.08 0.31 0.38 -1.84 0.00 0.00 0.00 175.10 174.03