#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf5 n LYS 2 N 0.00 1.22 -3.74 -1.24 4.01 0.87 -4.87 118.16 114.41 1sf5 n LYS 2 Ca 0.00 -0.87 -0.13 0.00 -0.51 0.00 0.00 58.31 56.80 1sf5 n LYS 2 Cb 0.00 -1.48 -0.08 0.00 -0.51 0.00 0.00 35.03 32.96 1sf5 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sf5 s ALA 3 N -2.38 -0.82 0.23 7.82 0.00 -1.25 -0.94 121.76 124.43 1sf5 s ALA 3 Ca 0.25 0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1sf5 s ALA 3 Cb 0.19 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1sf5 s ALA 3 CO 0.49 -0.32 -0.03 0.95 0.00 0.00 0.00 175.76 176.85 1sf5 s THR 4 N -1.76 3.42 -0.40 0.00 -4.23 0.43 -4.92 115.64 108.18 1sf5 s THR 4 Ca -0.10 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1sf5 s THR 4 Cb -0.03 -2.79 0.10 0.00 1.34 0.00 0.00 72.50 71.12 1sf5 s THR 4 CO 0.02 -0.28 0.20 -0.63 -0.54 0.00 0.00 174.62 173.39 1sf5 s ILE 5 N -2.10 3.40 0.25 2.99 1.01 -1.26 -0.67 121.20 124.82 1sf5 s ILE 5 Ca 0.29 -1.93 -0.05 0.00 0.00 0.00 0.00 60.65 58.97 1sf5 s ILE 5 Cb -0.07 -3.27 0.25 0.00 0.01 0.00 0.00 42.46 39.37 1sf5 s ILE 5 CO 0.19 -0.63 1.90 -0.65 0.00 0.00 0.00 174.94 175.74 1sf5 h PRO 6 N 8.10 1.20 -3.42 2.79 0.11 -1.96 -3.41 132.00 135.40 1sf5 h PRO 6 Ca -0.15 -0.07 -0.42 0.00 0.11 0.00 0.00 66.00 65.47 1sf5 h PRO 6 Cb 1.05 -0.27 -0.39 0.00 0.11 0.00 0.00 31.00 31.50 1sf5 h PRO 6 CO 0.70 0.79 -0.75 0.45 -0.21 0.00 0.00 178.00 178.98 1sf5 s SER 7 N -5.99 1.60 0.47 -2.05 0.15 -1.26 -5.01 113.70 101.62 1sf5 s SER 7 Ca -0.13 -0.15 0.24 0.00 0.70 0.00 0.00 55.95 56.62 1sf5 s SER 7 Cb 0.19 -0.29 1.16 0.00 -1.71 0.00 0.00 66.02 65.37 1sf5 s SER 7 CO 0.81 -0.25 1.95 -0.33 1.20 0.00 0.00 173.24 176.62 1sf5 h GLU 8 N 8.38 0.00 -5.70 5.44 4.39 -1.95 -3.44 114.58 121.70 1sf5 h GLU 8 Ca -0.15 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.94 1sf5 h GLU 8 Cb 1.13 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.67 1sf5 h GLU 8 CO 0.22 0.19 -0.50 -1.12 -1.16 0.00 0.00 179.01 176.64 1sf5 s SER 9 N -6.25 4.25 0.81 1.42 0.01 -1.26 -4.57 113.70 108.11 1sf5 s SER 9 Ca -0.02 -1.29 -0.11 0.00 1.31 0.00 0.00 55.95 55.84 1sf5 s SER 9 Cb 0.12 -0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.28 1sf5 s SER 9 CO 0.62 -0.65 1.09 -2.84 0.41 0.00 0.00 173.24 171.87 1sf5 s PRO 10 N -3.90 1.99 0.24 12.44 0.02 -1.26 -4.94 135.00 139.59 1sf5 s PRO 10 Ca 0.31 0.89 -0.01 0.00 0.02 0.00 0.00 61.00 62.22 1sf5 s PRO 10 Cb 0.04 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 1sf5 s PRO 10 CO 0.17 -1.75 0.23 -0.59 -0.33 0.00 0.00 177.00 174.73 1sf5 s PHE 11 N -2.99 1.16 0.36 6.54 -0.71 -0.34 -4.91 117.98 117.08 1sf5 s PHE 11 Ca 0.61 -1.34 -0.26 0.00 -1.04 0.00 0.00 56.93 54.90 1sf5 s PHE 11 Cb -0.16 -0.45 -0.09 0.00 -1.21 0.00 0.00 43.02 41.10 1sf5 s PHE 11 CO 0.56 -0.77 1.11 0.00 -1.34 0.00 0.00 175.22 174.78 1sf5 s ALA 12 N -3.92 3.23 0.35 1.99 0.00 -1.26 -0.13 121.76 122.02 1sf5 s ALA 12 Ca 0.36 0.87 0.13 0.00 0.00 0.00 0.00 51.96 53.33 1sf5 s ALA 12 Cb 0.05 -3.33 0.96 0.00 0.00 0.00 0.00 23.12 20.80 1sf5 s ALA 12 CO 0.15 -0.31 1.74 0.00 0.00 0.00 0.00 175.76 177.34 1sf5 h ALA 13 N 3.02 1.95 0.00 0.00 0.00 -1.38 -0.15 119.26 122.70 1sf5 h ALA 13 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1sf5 h ALA 13 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sf5 h ALA 13 CO 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1sf5 n ALA 14 N -2.37 1.43 0.79 0.00 0.00 -1.26 -2.31 120.51 116.79 1sf5 n ALA 14 Ca 0.26 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.95 1sf5 n ALA 14 Cb 0.80 -1.37 0.29 0.00 0.00 0.00 0.00 19.45 19.16 1sf5 n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sf5 n GLU 15 N -2.27 2.11 -1.68 0.00 1.02 -0.07 -4.95 120.64 114.80 1sf5 n GLU 15 Ca 0.01 -1.68 -0.44 0.00 -0.02 0.00 0.00 57.16 55.03 1sf5 n GLU 15 Cb 0.16 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1sf5 n GLU 15 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1sf5 n VAL 16 N 0.90 1.12 -2.16 2.62 3.14 -0.98 -4.94 118.33 118.04 1sf5 n VAL 16 Ca 0.17 -0.28 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 1sf5 n VAL 16 Cb 0.47 -1.54 -0.00 0.00 -1.06 0.00 0.00 33.84 31.70 1sf5 n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1sf5 s ALA 17 N -0.21 3.01 0.23 1.55 0.00 -1.26 -5.00 121.76 120.08 1sf5 s ALA 17 Ca 0.66 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 53.35 1sf5 s ALA 17 Cb -0.62 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 18.94 1sf5 s ALA 17 CO 0.51 -0.77 1.27 -0.25 0.00 0.00 0.00 175.76 176.52 1sf5 n ASP 18 N -0.41 2.12 0.00 0.00 9.92 -1.26 -1.94 116.55 124.98 1sf5 n ASP 18 Ca 0.07 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.48 1sf5 n ASP 18 Cb 0.47 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1sf5 n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sf5 n GLY 19 N 1.87 2.55 3.76 0.44 0.00 -1.26 -5.01 105.19 107.54 1sf5 n GLY 19 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1sf5 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf5 s ALA 20 N -3.01 2.65 -0.47 4.61 0.00 -0.82 -4.74 121.76 119.98 1sf5 s ALA 20 Ca 0.00 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 1sf5 s ALA 20 Cb 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1sf5 s ALA 20 CO 0.00 -1.05 0.51 0.42 0.00 0.00 0.00 175.76 175.64 1sf5 s ILE 21 N -1.59 5.03 -0.05 0.00 -1.09 0.24 -4.92 121.20 118.81 1sf5 s ILE 21 Ca 0.74 -0.61 -0.20 0.00 -2.23 0.00 0.00 60.65 58.36 1sf5 s ILE 21 Cb -0.30 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.36 1sf5 s ILE 21 CO 0.33 -0.64 0.56 -0.69 -1.23 0.00 0.00 174.94 173.27 1sf5 s VAL 22 N 2.22 5.03 -0.24 2.92 1.01 -1.26 -1.14 120.40 128.94 1sf5 s VAL 22 Ca 0.11 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 1sf5 s VAL 22 Cb -0.20 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1sf5 s VAL 22 CO 0.11 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.85 1sf5 s VAL 23 N 0.17 3.18 0.32 2.92 1.01 -0.06 -4.95 120.40 122.99 1sf5 s VAL 23 Ca 0.30 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 1sf5 s VAL 23 Cb -0.17 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1sf5 s VAL 23 CO 0.15 0.27 0.94 -1.81 0.00 0.00 0.00 175.10 174.65 1sf5 s ASP 24 N 1.40 7.37 -0.32 3.32 1.01 -1.26 -1.10 116.67 127.09 1sf5 s ASP 24 Ca 0.03 1.85 -0.04 0.00 0.71 0.00 0.00 52.55 55.09 1sf5 s ASP 24 Cb -0.16 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.23 1sf5 s ASP 24 CO -0.03 -0.05 0.06 -0.63 0.21 0.00 0.00 175.17 174.73 1sf5 s ILE 25 N -1.58 3.45 0.04 0.77 1.01 0.14 -0.55 121.20 124.48 1sf5 s ILE 25 Ca 0.49 -1.24 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 1sf5 s ILE 25 Cb -0.19 -2.97 0.05 0.00 0.01 0.00 0.00 42.46 39.35 1sf5 s ILE 25 CO 0.25 -0.15 0.48 0.00 0.00 0.00 0.00 174.94 175.51 1sf5 s ALA 26 N 1.34 -1.20 -1.57 9.38 0.00 -0.85 -0.84 121.76 128.03 1sf5 s ALA 26 Ca -0.03 0.48 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 1sf5 s ALA 26 Cb -0.20 0.36 0.10 0.00 0.00 0.00 0.00 23.12 23.39 1sf5 s ALA 26 CO 0.01 -0.48 0.90 1.63 0.00 0.00 0.00 175.76 177.82 1sf5 n LYS 27 N 0.46 -4.76 -2.85 0.00 5.02 -1.26 -2.10 118.16 112.67 1sf5 n LYS 27 Ca -0.18 0.53 -0.20 0.00 -2.02 0.00 0.00 58.31 56.44 1sf5 n LYS 27 Cb 0.60 -5.38 0.01 0.00 -0.02 0.00 0.00 35.03 30.24 1sf5 n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sf5 n MET 28 N -4.54 -3.37 -3.89 1.97 2.81 -1.26 -4.97 117.12 103.88 1sf5 n MET 28 Ca 0.05 0.77 -0.10 0.00 -1.81 0.00 0.00 57.70 56.61 1sf5 n MET 28 Cb 0.52 -5.51 -0.09 0.00 -0.71 0.00 0.00 33.22 27.43 1sf5 n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1sf5 s LYS 29 N -5.50 0.60 -0.30 0.03 1.02 -0.89 -4.86 119.74 109.84 1sf5 s LYS 29 Ca 0.20 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1sf5 s LYS 29 Cb -0.10 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1sf5 s LYS 29 CO 0.25 -0.16 1.32 0.71 -0.92 0.00 0.00 175.35 176.55 1sf5 s TYR 30 N -2.28 2.65 -0.19 3.18 2.02 -1.26 -2.01 117.35 119.46 1sf5 s TYR 30 Ca -0.08 0.84 0.29 0.00 -0.37 0.00 0.00 57.07 57.76 1sf5 s TYR 30 Cb -0.03 -3.94 1.13 0.00 -0.40 0.00 0.00 41.96 38.73 1sf5 s TYR 30 CO -0.03 -1.77 1.85 0.93 -1.57 0.00 0.00 175.55 174.96 1sf5 h GLU 31 N 9.43 0.00 -3.35 -0.62 5.08 -1.12 -3.14 114.58 120.86 1sf5 h GLU 31 Ca -0.26 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.44 1sf5 h GLU 31 Cb 1.10 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.95 1sf5 h GLU 31 CO 1.04 0.00 -0.53 0.99 -1.00 0.00 0.00 179.01 179.51 1sf5 s THR 32 N -3.48 3.00 -0.50 1.13 2.01 -1.26 -4.97 115.64 111.56 1sf5 s THR 32 Ca 0.03 -3.49 0.26 0.00 0.31 0.00 0.00 61.69 58.80 1sf5 s THR 32 Cb 0.09 -3.01 0.30 0.00 0.01 0.00 0.00 72.50 69.89 1sf5 s THR 32 CO 0.50 -0.88 1.76 1.55 -0.69 0.00 0.00 174.62 176.86 1sf5 h PRO 33 N 6.33 0.00 -3.60 4.92 0.13 -1.88 -3.38 132.00 134.53 1sf5 h PRO 33 Ca -0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1sf5 h PRO 33 Cb 0.87 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.60 1sf5 h PRO 33 CO 0.71 0.00 -0.76 -2.00 -0.23 0.00 0.00 178.00 175.72 1sf5 s GLU 34 N -3.26 0.75 -0.13 0.86 2.12 -1.26 -0.54 118.70 117.24 1sf5 s GLU 34 Ca 0.07 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 1sf5 s GLU 34 Cb 0.10 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1sf5 s GLU 34 CO 0.54 -0.77 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.27 1sf5 s LEU 35 N 1.74 3.19 -0.22 2.70 2.96 -0.76 -5.01 118.68 123.29 1sf5 s LEU 35 Ca 0.03 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.76 1sf5 s LEU 35 Cb -0.17 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1sf5 s LEU 35 CO -0.15 0.21 0.04 -1.00 -1.32 0.00 0.00 176.35 174.13 1sf5 s HIS 36 N 0.09 3.08 0.31 5.38 3.76 -1.26 -0.16 115.29 126.50 1sf5 s HIS 36 Ca -0.01 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 1sf5 s HIS 36 Cb -0.14 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 1sf5 s HIS 36 CO 0.03 -0.25 0.12 0.14 -0.85 0.00 0.00 174.74 173.93 1sf5 s VAL 37 N 1.19 0.62 0.28 -0.90 -7.23 0.08 -4.98 120.40 109.46 1sf5 s VAL 37 Ca 0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1sf5 s VAL 37 Cb -0.14 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1sf5 s VAL 37 CO 0.02 0.00 0.26 -1.59 -0.31 0.00 0.00 175.10 173.48 1sf5 s LYS 38 N -3.88 2.96 0.27 4.82 -2.85 -1.26 -1.06 119.74 118.74 1sf5 s LYS 38 Ca 0.34 -1.07 -0.31 0.00 -1.00 0.00 0.00 55.97 53.94 1sf5 s LYS 38 Cb 0.06 -2.61 -0.13 0.00 -2.06 0.00 0.00 37.83 33.10 1sf5 s LYS 38 CO 0.15 0.31 1.47 0.28 0.10 0.00 0.00 175.35 177.66 1sf5 n VAL 39 N -1.29 1.07 -0.32 1.79 0.31 -1.26 -1.60 118.33 117.03 1sf5 n VAL 39 Ca -0.06 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1sf5 n VAL 39 Cb 0.58 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1sf5 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sf5 n GLY 40 N 2.04 1.10 3.79 2.92 0.00 0.14 -5.01 105.19 110.15 1sf5 n GLY 40 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1sf5 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sf5 s ASP 41 N -3.03 6.54 -0.24 1.61 1.01 -0.63 -4.74 116.67 117.20 1sf5 s ASP 41 Ca 0.00 2.03 -0.10 0.00 0.71 0.00 0.00 52.55 55.20 1sf5 s ASP 41 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1sf5 s ASP 41 CO 0.00 -0.64 0.13 -0.89 0.21 0.00 0.00 175.17 173.98 1sf5 s THR 42 N -1.76 5.08 -0.16 -1.27 2.01 -1.26 -1.16 115.64 117.12 1sf5 s THR 42 Ca 0.62 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 1sf5 s THR 42 Cb -0.21 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1sf5 s THR 42 CO 0.26 0.35 0.14 -0.69 -0.69 0.00 0.00 174.62 173.98 1sf5 s VAL 43 N 1.16 5.45 -0.14 3.82 1.01 0.29 -0.59 120.40 131.40 1sf5 s VAL 43 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1sf5 s VAL 43 Cb -0.14 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1sf5 s VAL 43 CO 0.05 0.52 -0.11 -0.89 0.00 0.00 0.00 175.10 174.67 1sf5 s THR 44 N -0.28 1.37 0.08 3.92 2.01 -0.29 -1.07 115.64 121.37 1sf5 s THR 44 Ca 0.11 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 1sf5 s THR 44 Cb -0.12 -1.33 -0.07 0.00 0.01 0.00 0.00 72.50 71.00 1sf5 s THR 44 CO 0.01 0.40 0.63 0.26 -0.69 0.00 0.00 174.62 175.22 1sf5 s TRP 45 N 1.57 3.80 -0.12 4.92 0.51 -0.14 -0.88 118.94 128.59 1sf5 s TRP 45 Ca 0.04 1.35 0.00 0.00 -2.12 0.00 0.00 56.10 55.37 1sf5 s TRP 45 Cb -0.13 -2.59 0.02 0.00 -0.81 0.00 0.00 33.47 29.96 1sf5 s TRP 45 CO -0.10 0.51 -0.11 0.42 -0.51 0.00 0.00 176.95 177.16 1sf5 s ILE 46 N -0.87 1.30 -0.28 2.03 1.01 -0.26 -1.53 121.20 122.60 1sf5 s ILE 46 Ca 0.31 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 1sf5 s ILE 46 Cb -0.20 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.03 1sf5 s ILE 46 CO 0.20 0.41 0.93 0.21 0.00 0.00 0.00 174.94 176.69 1sf5 s ASN 47 N 1.47 6.87 0.00 3.58 2.47 0.10 -0.69 114.94 128.75 1sf5 s ASN 47 Ca 0.02 1.01 0.22 0.00 0.42 0.00 0.00 52.86 54.53 1sf5 s ASN 47 Cb -0.13 -2.48 0.24 0.00 -1.45 0.00 0.00 41.25 37.43 1sf5 s ASN 47 CO -0.08 -0.67 1.25 0.54 -3.72 0.00 0.00 177.10 174.42 1sf5 n ARG 48 N 6.36 2.18 -4.26 0.43 5.12 -0.02 0.44 116.66 126.91 1sf5 n ARG 48 Ca 0.08 -1.94 -0.23 0.00 -1.93 0.00 0.00 57.85 53.83 1sf5 n ARG 48 Cb 0.47 -1.44 -0.07 0.00 -1.16 0.00 0.00 32.46 30.26 1sf5 n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1sf5 s GLU 49 N -1.71 2.29 -0.12 5.56 2.02 -1.26 -4.78 118.70 120.71 1sf5 s GLU 49 Ca 0.29 -1.48 -0.01 0.00 0.02 0.00 0.00 54.97 53.79 1sf5 s GLU 49 Cb 0.19 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 1sf5 s GLU 49 CO 0.28 0.29 1.13 0.00 0.02 0.00 0.00 175.26 176.98 1sf5 n ALA 50 N -0.96 1.92 -2.40 5.21 0.00 -1.26 -3.47 120.51 119.56 1sf5 n ALA 50 Ca -0.05 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 1sf5 n ALA 50 Cb 0.60 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 1sf5 n ALA 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sf5 s PRO 52 N 3.55 1.41 0.04 0.00 0.02 -1.26 -4.59 135.00 134.16 1sf5 s PRO 52 Ca 0.11 -1.36 -0.02 0.00 0.02 0.00 0.00 61.00 59.74 1sf5 s PRO 52 Cb 0.04 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 1sf5 s PRO 52 CO -0.00 0.44 0.01 -1.01 -0.33 0.00 0.00 177.00 176.11 1sf5 s HIS 53 N -1.12 0.34 0.03 6.54 3.76 -1.08 -4.94 115.29 118.82 1sf5 s HIS 53 Ca 0.15 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1sf5 s HIS 53 Cb -0.10 -0.25 -0.00 0.00 1.11 0.00 0.00 32.58 33.34 1sf5 s HIS 53 CO 0.06 -0.32 0.01 0.27 -0.85 0.00 0.00 174.74 173.91 1sf5 n ASN 54 N 0.74 0.52 -4.16 1.40 6.94 -1.26 -0.11 115.26 119.32 1sf5 n ASN 54 Ca -0.18 -1.16 -0.25 0.00 -0.02 0.00 0.00 54.58 52.97 1sf5 n ASN 54 Cb 0.59 0.09 -0.16 0.00 -2.36 0.00 0.00 39.78 37.94 1sf5 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1sf5 s VAL 55 N -1.84 1.41 -0.05 3.53 -7.23 -1.26 -4.39 120.40 110.57 1sf5 s VAL 55 Ca 0.02 -0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 59.43 1sf5 s VAL 55 Cb 0.00 -1.18 0.03 0.00 0.56 0.00 0.00 36.38 35.79 1sf5 s VAL 55 CO 0.01 0.40 0.03 -2.28 -0.31 0.00 0.00 175.10 172.96 1sf5 s HIS 56 N -0.30 0.29 -0.17 2.82 5.04 0.45 -0.57 115.29 122.86 1sf5 s HIS 56 Ca 0.04 0.09 -0.02 0.00 -1.54 0.00 0.00 55.06 53.63 1sf5 s HIS 56 Cb -0.08 -0.58 -0.01 0.00 0.04 0.00 0.00 32.58 31.94 1sf5 s HIS 56 CO 0.00 -0.23 -0.08 -0.06 -2.34 0.00 0.00 174.74 172.02 1sf5 s PHE 57 N 2.00 2.90 0.92 3.88 0.40 0.10 -1.31 117.98 126.87 1sf5 s PHE 57 Ca 0.04 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 1sf5 s PHE 57 Cb -0.12 -1.96 0.14 0.00 0.51 0.00 0.00 43.02 41.59 1sf5 s PHE 57 CO -0.04 -0.32 1.10 0.14 0.70 0.00 0.00 175.22 176.81 1sf5 s VAL 58 N 0.79 2.40 0.42 -0.44 -7.23 -1.26 -0.76 120.40 114.32 1sf5 s VAL 58 Ca -0.03 0.13 -0.26 0.00 -1.81 0.00 0.00 61.98 60.01 1sf5 s VAL 58 Cb -0.15 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 1sf5 s VAL 58 CO 0.01 -0.17 1.29 0.00 -0.31 0.00 0.00 175.10 175.93 1sf5 n ALA 59 N -3.89 1.40 -0.44 1.32 0.00 -1.26 -2.35 120.51 115.28 1sf5 n ALA 59 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1sf5 n ALA 59 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1sf5 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf5 n GLY 60 N 0.77 0.97 0.07 0.00 0.00 0.64 -4.87 105.19 102.77 1sf5 n GLY 60 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1sf5 n GLY 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sf5 n VAL 61 N -2.00 1.18 1.27 1.61 0.31 -0.99 -4.60 118.33 115.11 1sf5 n VAL 61 Ca 0.00 0.23 0.13 0.00 -0.01 0.00 0.00 64.34 64.69 1sf5 n VAL 61 Cb 0.00 -2.18 0.37 0.00 -0.91 0.00 0.00 33.84 31.11 1sf5 n VAL 61 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sf5 n LEU 62 N -4.08 1.26 0.00 7.52 4.77 -1.26 -4.89 117.00 120.32 1sf5 n LEU 62 Ca -0.10 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1sf5 n LEU 62 Cb 0.37 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1sf5 n LEU 62 CO 0.15 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1sf5 n GLY 63 N 1.31 -1.46 0.09 -0.72 0.00 -1.26 -0.09 105.19 103.06 1sf5 n GLY 63 Ca 0.13 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1sf5 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sf5 h GLU 64 N 0.00 0.19 -6.99 1.61 5.08 -1.95 0.18 114.58 112.70 1sf5 h GLU 64 Ca 0.00 -0.03 -0.49 0.00 -1.00 0.00 0.00 59.36 57.83 1sf5 h GLU 64 Cb 0.00 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.24 1sf5 h GLU 64 CO 0.00 0.28 0.19 0.00 -1.00 0.00 0.00 179.01 178.48 1sf5 s ALA 65 N -5.57 3.30 0.49 3.43 0.00 -1.26 -2.96 121.76 119.18 1sf5 s ALA 65 Ca -0.14 -0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 1sf5 s ALA 65 Cb 0.06 -2.77 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 1sf5 s ALA 65 CO 0.69 -0.25 1.34 0.00 0.00 0.00 0.00 175.76 177.55 1sf5 n ALA 66 N -1.85 1.60 -3.39 0.00 0.00 -1.26 -4.32 120.51 111.29 1sf5 n ALA 66 Ca 0.03 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 1sf5 n ALA 66 Cb 0.54 -2.33 -0.12 0.00 0.00 0.00 0.00 19.45 17.54 1sf5 n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sf5 s LEU 67 N -2.66 4.73 -0.55 0.00 1.98 0.06 -4.89 118.68 117.34 1sf5 s LEU 67 Ca 0.66 -1.44 -0.13 0.00 -2.89 0.00 0.00 54.13 50.33 1sf5 s LEU 67 Cb -0.45 -1.89 0.14 0.00 0.66 0.00 0.00 46.19 44.65 1sf5 s LEU 67 CO 0.54 -0.43 0.47 -0.75 -1.89 0.00 0.00 176.35 174.29 1sf5 s LYS 68 N 1.35 2.85 0.84 1.98 2.20 -1.26 -0.73 119.74 126.98 1sf5 s LYS 68 Ca 0.01 -1.87 -0.11 0.00 -0.36 0.00 0.00 55.97 53.65 1sf5 s LYS 68 Cb -0.21 -4.15 0.10 0.00 -1.51 0.00 0.00 37.83 32.05 1sf5 s LYS 68 CO 0.01 -1.27 1.10 0.20 -0.36 0.00 0.00 175.35 175.04 1sf5 s GLY 69 N 2.93 1.67 0.55 5.54 0.00 0.26 -4.99 107.32 113.29 1sf5 s GLY 69 Ca 0.07 0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.89 1sf5 s GLY 69 CO -0.00 0.69 1.09 2.56 0.00 0.00 0.00 173.10 177.44 1sf5 s PRO 70 N -4.83 3.37 0.01 2.90 0.04 -1.26 -4.66 135.00 130.57 1sf5 s PRO 70 Ca 0.63 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1sf5 s PRO 70 Cb -0.19 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1sf5 s PRO 70 CO 0.57 -0.80 1.50 -1.64 0.04 0.00 0.00 177.00 176.67 1sf5 s MET 71 N -3.50 4.24 -0.16 4.56 -1.94 -1.26 -4.50 119.30 116.73 1sf5 s MET 71 Ca 0.69 2.09 -0.20 0.00 -1.71 0.00 0.00 55.69 56.56 1sf5 s MET 71 Cb -0.20 -3.64 -0.03 0.00 2.01 0.00 0.00 34.83 32.96 1sf5 s MET 71 CO 0.29 -0.66 0.57 -1.64 -0.01 0.00 0.00 175.02 173.57 1sf5 s MET 72 N 2.72 4.26 0.89 2.03 -1.94 0.84 -4.85 119.30 123.25 1sf5 s MET 72 Ca 0.68 0.55 -0.14 0.00 -1.71 0.00 0.00 55.69 55.07 1sf5 s MET 72 Cb -0.34 -3.53 0.15 0.00 2.01 0.00 0.00 34.83 33.12 1sf5 s MET 72 CO 0.28 -0.09 1.25 0.15 -0.01 0.00 0.00 175.02 176.61 1sf5 s LYS 73 N 1.41 1.24 0.23 2.03 -0.14 -1.26 -2.62 119.74 120.63 1sf5 s LYS 73 Ca 0.28 -0.19 -0.31 0.00 -1.36 0.00 0.00 55.97 54.38 1sf5 s LYS 73 Cb -0.16 -1.90 -0.14 0.00 -1.68 0.00 0.00 37.83 33.96 1sf5 s LYS 73 CO 0.11 -2.04 1.38 1.17 -0.76 0.00 0.00 175.35 175.22 1sf5 n LYS 74 N -3.55 1.94 -1.81 1.68 4.81 -1.23 -1.47 118.16 118.53 1sf5 n LYS 74 Ca 0.12 0.69 -0.15 0.00 -0.87 0.00 0.00 58.31 58.10 1sf5 n LYS 74 Cb 0.60 -2.33 -0.04 0.00 0.02 0.00 0.00 35.03 33.28 1sf5 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sf5 n GLU 75 N 2.02 -1.10 -3.96 1.64 -0.58 0.17 -5.01 120.64 113.82 1sf5 n GLU 75 Ca 0.12 0.89 -0.22 0.00 -0.42 0.00 0.00 57.16 57.53 1sf5 n GLU 75 Cb 0.31 -5.10 -0.04 0.00 -0.57 0.00 0.00 31.44 26.03 1sf5 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1sf5 s GLN 76 N -3.92 2.77 0.07 3.49 -0.21 -0.54 -1.05 119.66 120.26 1sf5 s GLN 76 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.16 1sf5 s GLN 76 Cb 0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1sf5 s GLN 76 CO 0.00 0.22 -0.04 0.00 -2.12 0.00 0.00 175.29 173.35 1sf5 s ALA 77 N -2.25 0.69 -0.20 6.09 0.00 0.82 -0.72 121.76 126.20 1sf5 s ALA 77 Ca 0.37 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 1sf5 s ALA 77 Cb -0.06 0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.35 1sf5 s ALA 77 CO 0.25 -0.32 0.50 -0.47 0.00 0.00 0.00 175.76 175.73 1sf5 s TYR 78 N -3.81 -0.64 0.11 0.00 5.04 -0.58 -1.20 117.35 116.28 1sf5 s TYR 78 Ca 0.09 1.44 0.10 0.00 -2.44 0.00 0.00 57.07 56.26 1sf5 s TYR 78 Cb 0.07 0.27 -0.04 0.00 0.35 0.00 0.00 41.96 42.61 1sf5 s TYR 78 CO -0.08 -0.32 -0.21 -1.12 -1.34 0.00 0.00 175.55 172.47 1sf5 s SER 79 N 0.79 3.66 -0.03 4.32 0.01 -1.26 -0.97 113.70 120.22 1sf5 s SER 79 Ca -0.04 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1sf5 s SER 79 Cb -0.05 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1sf5 s SER 79 CO -0.06 0.19 -0.09 -0.76 0.41 0.00 0.00 173.24 172.93 1sf5 s LEU 80 N -2.03 1.76 -0.32 2.44 1.43 -0.23 -4.18 118.68 117.54 1sf5 s LEU 80 Ca 0.16 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1sf5 s LEU 80 Cb -0.10 -0.55 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 1sf5 s LEU 80 CO 0.08 0.06 0.17 -0.89 0.23 0.00 0.00 176.35 175.99 1sf5 s THR 81 N 0.25 4.63 -0.09 5.49 2.01 0.15 -0.54 115.64 127.54 1sf5 s THR 81 Ca -0.04 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 1sf5 s THR 81 Cb -0.09 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1sf5 s THR 81 CO 0.01 0.01 0.70 -0.36 -0.69 0.00 0.00 174.62 174.28 1sf5 s PHE 82 N 1.61 3.54 -0.80 4.92 0.40 -0.31 -0.43 117.98 126.91 1sf5 s PHE 82 Ca 0.04 1.21 0.07 0.00 -0.60 0.00 0.00 56.93 57.65 1sf5 s PHE 82 Cb -0.17 -2.81 0.03 0.00 0.51 0.00 0.00 43.02 40.57 1sf5 s PHE 82 CO 0.07 0.04 0.64 0.25 0.70 0.00 0.00 175.22 176.91 1sf5 n THR 83 N 3.94 0.00 -3.81 0.64 -2.24 -0.11 0.23 114.28 112.93 1sf5 n THR 83 Ca -0.01 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 1sf5 n THR 83 Cb 0.51 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 1sf5 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sf5 s GLU 84 N -0.85 0.33 0.44 -0.78 2.12 -1.22 -4.78 118.70 113.96 1sf5 s GLU 84 Ca 0.07 0.12 -0.25 0.00 0.36 0.00 0.00 54.97 55.27 1sf5 s GLU 84 Cb 0.06 0.15 -0.08 0.00 0.26 0.00 0.00 34.13 34.52 1sf5 s GLU 84 CO 0.13 -0.06 1.37 0.00 -0.54 0.00 0.00 175.26 176.16 1sf5 s ALA 85 N -0.30 3.22 0.00 6.30 0.00 -1.26 -4.83 121.76 124.89 1sf5 s ALA 85 Ca -0.04 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1sf5 s ALA 85 Cb -0.03 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1sf5 s ALA 85 CO 0.01 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1sf5 n GLY 86 N 0.62 -1.40 2.95 0.00 0.00 -0.55 -4.97 105.19 101.84 1sf5 n GLY 86 Ca 0.05 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 1sf5 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sf5 s THR 87 N -2.97 1.22 -0.32 2.61 2.01 -1.26 -0.59 115.64 116.35 1sf5 s THR 87 Ca 0.00 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1sf5 s THR 87 Cb 0.00 -1.20 0.09 0.00 0.01 0.00 0.00 72.50 71.41 1sf5 s THR 87 CO 0.00 0.40 0.04 -0.31 -0.69 0.00 0.00 174.62 174.06 1sf5 s TYR 88 N 1.57 3.17 0.33 4.92 2.02 0.07 -4.99 117.35 124.44 1sf5 s TYR 88 Ca 0.04 -2.58 -0.24 0.00 -0.37 0.00 0.00 57.07 53.91 1sf5 s TYR 88 Cb -0.13 -2.49 -0.10 0.00 -0.40 0.00 0.00 41.96 38.85 1sf5 s TYR 88 CO -0.08 -0.92 0.92 -0.51 -1.57 0.00 0.00 175.55 173.39 1sf5 s ASP 89 N 1.11 7.24 0.17 2.29 1.11 -1.26 -1.18 116.67 126.15 1sf5 s ASP 89 Ca 0.08 1.76 -0.08 0.00 0.18 0.00 0.00 52.55 54.49 1sf5 s ASP 89 Cb -0.19 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.24 1sf5 s ASP 89 CO -0.11 -0.10 0.26 -0.72 1.18 0.00 0.00 175.17 175.67 1sf5 s TYR 90 N -1.70 0.51 0.27 4.23 1.13 -0.08 -4.56 117.35 117.15 1sf5 s TYR 90 Ca 0.51 -0.86 -0.04 0.00 -1.41 0.00 0.00 57.07 55.27 1sf5 s TYR 90 Cb -0.17 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.55 1sf5 s TYR 90 CO 0.22 -0.71 0.35 -3.38 -2.51 0.00 0.00 175.55 169.51 1sf5 s HIS 91 N -4.00 0.94 -0.18 -3.49 -3.43 -0.42 -1.25 115.29 103.46 1sf5 s HIS 91 Ca 0.20 -1.18 -0.19 0.00 -0.80 0.00 0.00 55.06 53.10 1sf5 s HIS 91 Cb 0.04 -0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 30.94 1sf5 s HIS 91 CO 0.02 -0.91 0.52 0.00 -2.00 0.00 0.00 174.74 172.37 1sf5 h THR 93 N 5.02 1.04 0.00 0.00 2.02 -1.92 -2.32 112.91 116.76 1sf5 h THR 93 Ca -0.35 -0.30 -0.19 0.00 0.77 0.00 0.00 66.41 66.33 1sf5 h THR 93 Cb 1.16 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1sf5 h THR 93 CO 0.75 0.16 -0.86 0.00 0.37 0.00 0.00 175.52 175.94 1sf5 h ALA 94 N 1.36 0.55 -2.27 6.16 0.00 -1.94 -3.38 119.26 119.74 1sf5 h ALA 94 Ca 0.33 -0.72 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 1sf5 h ALA 94 Cb 0.13 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.43 1sf5 h ALA 94 CO -0.16 0.92 -0.78 0.72 0.00 0.00 0.00 179.25 179.96 1sf5 n HIS 95 N -3.66 1.99 0.25 0.00 8.25 -0.94 -4.99 115.22 116.12 1sf5 n HIS 95 Ca -0.03 -3.92 0.04 0.00 -0.26 0.00 0.00 57.72 53.54 1sf5 n HIS 95 Cb 0.80 -0.43 0.17 0.00 1.12 0.00 0.00 29.99 31.64 1sf5 n HIS 95 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1sf5 n PRO 96 N 1.34 0.00 0.13 -0.41 -0.04 -0.92 -0.66 135.00 134.45 1sf5 n PRO 96 Ca 0.26 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 1sf5 n PRO 96 Cb 0.44 -1.51 0.49 0.00 -0.04 0.00 0.00 33.50 32.88 1sf5 n PRO 96 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1sf5 n PHE 97 N -1.52 0.76 -2.86 0.54 1.16 -1.26 -4.51 117.46 109.77 1sf5 n PHE 97 Ca 0.02 0.31 -0.42 0.00 -1.87 0.00 0.00 57.45 55.48 1sf5 n PHE 97 Cb 0.09 -0.99 -0.04 0.00 -1.61 0.00 0.00 39.48 36.92 1sf5 n PHE 97 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1sf5 s MET 98 N -3.31 3.82 0.03 3.97 -1.94 0.17 -5.03 119.30 117.00 1sf5 s MET 98 Ca 0.04 0.50 0.06 0.00 -1.71 0.00 0.00 55.69 54.58 1sf5 s MET 98 Cb 0.09 -3.80 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 1sf5 s MET 98 CO 0.37 -0.90 -0.17 1.03 -0.01 0.00 0.00 175.02 175.34 1sf5 s ARG 99 N 3.33 1.18 0.30 2.03 1.81 -1.26 -1.94 118.95 124.39 1sf5 s ARG 99 Ca 0.36 -0.79 -0.08 0.00 -1.72 0.00 0.00 55.73 53.49 1sf5 s ARG 99 Cb -0.12 -1.22 0.00 0.00 -0.45 0.00 0.00 34.95 33.16 1sf5 s ARG 99 CO 0.18 0.31 0.49 0.20 -0.68 0.00 0.00 175.30 175.80 1sf5 s GLY 100 N -1.01 0.94 -0.01 -3.53 0.00 -0.38 -4.76 107.32 98.57 1sf5 s GLY 100 Ca 0.05 -1.16 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 1sf5 s GLY 100 CO 0.01 -0.78 0.28 -1.59 0.00 0.00 0.00 173.10 171.02 1sf5 s LYS 101 N -3.49 0.65 -0.17 2.90 -2.85 0.29 -0.90 119.74 116.18 1sf5 s LYS 101 Ca 0.26 -0.25 -0.02 0.00 -1.00 0.00 0.00 55.97 54.97 1sf5 s LYS 101 Cb -0.01 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1sf5 s LYS 101 CO 0.14 -0.18 -0.10 0.08 0.10 0.00 0.00 175.35 175.39 1sf5 s VAL 102 N -1.43 3.13 -0.29 1.79 1.01 -0.32 -1.84 120.40 122.45 1sf5 s VAL 102 Ca -0.13 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1sf5 s VAL 102 Cb -0.05 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1sf5 s VAL 102 CO 0.03 0.49 0.14 -0.69 0.00 0.00 0.00 175.10 175.07 1sf5 s VAL 103 N 0.85 4.64 -0.23 2.92 1.01 0.78 -0.75 120.40 129.61 1sf5 s VAL 103 Ca -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1sf5 s VAL 103 Cb -0.15 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1sf5 s VAL 103 CO 0.01 0.17 0.04 -0.69 0.00 0.00 0.00 175.10 174.62 1sf5 s VAL 104 N 1.64 4.10 0.00 2.92 1.01 0.24 -0.74 120.40 129.57 1sf5 s VAL 104 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1sf5 s VAL 104 Cb -0.16 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1sf5 s VAL 104 CO 0.06 0.37 0.00 -1.84 0.00 0.00 0.00 175.10 173.69