#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfh n LYS 2 N 0.00 1.65 -3.55 -1.24 5.02 0.87 -4.88 118.16 116.02 1sfh n LYS 2 Ca 0.00 -1.32 -0.16 0.00 -2.02 0.00 0.00 58.31 54.82 1sfh n LYS 2 Cb 0.00 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1sfh n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sfh s ALA 3 N -1.93 -1.51 0.19 7.82 0.00 -1.24 -1.12 121.76 123.96 1sfh s ALA 3 Ca 0.20 0.89 0.10 0.00 0.00 0.00 0.00 51.96 53.15 1sfh s ALA 3 Cb 0.16 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1sfh s ALA 3 CO 0.37 -0.45 -0.17 0.95 0.00 0.00 0.00 175.76 176.46 1sfh s THR 4 N -1.89 2.75 -0.37 0.00 -4.23 0.34 -4.93 115.64 107.31 1sfh s THR 4 Ca -0.08 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1sfh s THR 4 Cb -0.01 -2.34 0.09 0.00 1.34 0.00 0.00 72.50 71.58 1sfh s THR 4 CO 0.03 -0.11 0.13 -0.63 -0.54 0.00 0.00 174.62 173.50 1sfh s ILE 5 N -1.67 3.05 0.40 2.99 1.01 -1.26 -1.33 121.20 124.39 1sfh s ILE 5 Ca 0.23 -1.93 0.16 0.00 0.00 0.00 0.00 60.65 59.10 1sfh s ILE 5 Cb -0.08 -3.03 0.16 0.00 0.01 0.00 0.00 42.46 39.52 1sfh s ILE 5 CO 0.12 -0.53 1.92 -0.65 0.00 0.00 0.00 174.94 175.81 1sfh h PRO 6 N 7.97 0.00 -2.66 2.79 0.11 -1.97 -3.45 132.00 134.79 1sfh h PRO 6 Ca -0.14 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 1sfh h PRO 6 Cb 1.05 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.93 1sfh h PRO 6 CO 0.63 0.26 -0.17 0.45 -0.21 0.00 0.00 178.00 178.96 1sfh s SER 7 N -6.82 -0.43 0.00 -2.05 0.15 -1.26 -5.04 113.70 98.25 1sfh s SER 7 Ca -0.03 0.71 0.28 0.00 0.70 0.00 0.00 55.95 57.61 1sfh s SER 7 Cb 0.15 0.76 0.97 0.00 -1.71 0.00 0.00 66.02 66.19 1sfh s SER 7 CO 0.69 -0.27 1.74 -0.62 1.20 0.00 0.00 173.24 175.98 1sfh n GLU 8 N 2.30 0.04 -4.17 5.44 1.02 -1.26 -4.87 120.64 119.14 1sfh n GLU 8 Ca -0.16 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.67 1sfh n GLU 8 Cb 0.57 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 1sfh n GLU 8 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1sfh s SER 9 N -2.97 4.99 0.93 1.62 0.01 -1.26 -4.55 113.70 112.47 1sfh s SER 9 Ca 0.14 -0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.11 1sfh s SER 9 Cb 0.19 -1.19 0.15 0.00 0.21 0.00 0.00 66.02 65.37 1sfh s SER 9 CO 0.59 0.19 1.10 -2.16 0.41 0.00 0.00 173.24 173.37 1sfh s PRO 10 N -2.18 0.99 0.24 12.44 0.04 -1.26 -4.91 135.00 140.36 1sfh s PRO 10 Ca 0.24 0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.86 1sfh s PRO 10 Cb -0.12 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1sfh s PRO 10 CO 0.17 -2.36 0.05 -0.59 0.04 0.00 0.00 177.00 174.31 1sfh s PHE 11 N -3.05 1.52 0.07 0.56 -0.71 -0.01 -4.92 117.98 111.45 1sfh s PHE 11 Ca 0.64 -1.08 -0.31 0.00 -1.04 0.00 0.00 56.93 55.15 1sfh s PHE 11 Cb -0.17 -0.90 -0.06 0.00 -1.21 0.00 0.00 43.02 40.68 1sfh s PHE 11 CO 0.56 -0.22 1.30 0.00 -1.34 0.00 0.00 175.22 175.52 1sfh s ALA 12 N -3.62 3.50 0.51 1.99 0.00 -1.26 -0.58 121.76 122.29 1sfh s ALA 12 Ca 0.33 0.96 0.30 0.00 0.00 0.00 0.00 51.96 53.55 1sfh s ALA 12 Cb 0.07 -3.50 1.71 0.00 0.00 0.00 0.00 23.12 21.40 1sfh s ALA 12 CO 0.11 -0.57 2.18 0.00 0.00 0.00 0.00 175.76 177.48 1sfh h ALA 13 N 6.94 1.35 0.00 0.00 0.00 -1.34 -1.90 119.26 124.32 1sfh h ALA 13 Ca -0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1sfh h ALA 13 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sfh h ALA 13 CO 0.85 0.07 -0.00 0.00 0.00 0.00 0.00 179.25 180.16 1sfh h ALA 14 N 1.95 1.00 -0.00 0.00 0.00 -1.91 -2.01 119.26 118.29 1sfh h ALA 14 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sfh h ALA 14 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sfh h ALA 14 CO 0.01 0.00 -0.19 0.39 0.00 0.00 0.00 179.25 179.46 1sfh n GLU 15 N -3.09 0.64 -1.73 0.00 1.02 -0.71 -4.94 120.64 111.82 1sfh n GLU 15 Ca -0.02 -0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.41 1sfh n GLU 15 Cb 0.12 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 1sfh n GLU 15 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sfh n VAL 16 N -0.93 1.87 -2.58 2.62 0.31 -0.76 -4.91 118.33 113.95 1sfh n VAL 16 Ca 0.12 -0.47 -0.38 0.00 -0.01 0.00 0.00 64.34 63.60 1sfh n VAL 16 Cb 0.31 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 1sfh n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sfh s ALA 17 N -0.97 3.24 0.17 3.52 0.00 -1.26 -4.99 121.76 121.47 1sfh s ALA 17 Ca 0.56 0.73 -0.33 0.00 0.00 0.00 0.00 51.96 52.92 1sfh s ALA 17 Cb -0.53 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.17 1sfh s ALA 17 CO 0.61 -0.10 1.47 -0.25 0.00 0.00 0.00 175.76 177.50 1sfh n ASP 18 N 0.60 2.68 0.00 0.00 8.00 -1.26 -1.62 116.55 124.96 1sfh n ASP 18 Ca 0.02 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.63 1sfh n ASP 18 Cb 0.48 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1sfh n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sfh n GLY 19 N 2.83 1.91 3.77 0.44 0.00 -1.26 -5.03 105.19 107.85 1sfh n GLY 19 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1sfh n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfh s ALA 20 N -2.77 3.56 0.06 4.61 0.00 -0.64 -4.97 121.76 121.62 1sfh s ALA 20 Ca 0.00 1.40 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 1sfh s ALA 20 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1sfh s ALA 20 CO 0.00 -0.82 1.37 0.42 0.00 0.00 0.00 175.76 176.73 1sfh s ILE 21 N -0.85 3.56 0.03 0.00 1.01 -1.26 -4.99 121.20 118.70 1sfh s ILE 21 Ca 0.53 1.06 0.05 0.00 0.00 0.00 0.00 60.65 62.29 1sfh s ILE 21 Cb -0.43 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1sfh s ILE 21 CO 0.54 0.05 -0.14 -0.69 0.00 0.00 0.00 174.94 174.71 1sfh s VAL 22 N 1.60 1.08 -0.27 2.92 1.01 -1.26 -1.19 120.40 124.29 1sfh s VAL 22 Ca 0.64 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1sfh s VAL 22 Cb -0.34 -0.97 0.05 0.00 0.00 0.00 0.00 36.38 35.12 1sfh s VAL 22 CO 0.29 0.03 -0.08 -0.69 0.00 0.00 0.00 175.10 174.66 1sfh s VAL 23 N -0.78 2.49 0.46 2.92 1.01 -0.06 -4.93 120.40 121.52 1sfh s VAL 23 Ca 0.02 -1.45 -0.19 0.00 0.00 0.00 0.00 61.98 60.35 1sfh s VAL 23 Cb -0.07 -2.41 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 1sfh s VAL 23 CO 0.01 0.00 0.97 -1.81 0.00 0.00 0.00 175.10 174.27 1sfh s ASP 24 N 1.18 6.80 -0.13 3.32 1.01 -1.26 -1.25 116.67 126.35 1sfh s ASP 24 Ca -0.06 1.66 0.02 0.00 0.71 0.00 0.00 52.55 54.88 1sfh s ASP 24 Cb -0.19 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.22 1sfh s ASP 24 CO -0.04 -0.46 -0.18 -0.63 0.21 0.00 0.00 175.17 174.07 1sfh s ILE 25 N -2.32 1.76 -0.03 0.77 1.01 0.24 -0.37 121.20 122.26 1sfh s ILE 25 Ca 0.61 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 1sfh s ILE 25 Cb -0.10 -1.59 0.09 0.00 0.01 0.00 0.00 42.46 40.88 1sfh s ILE 25 CO 0.19 0.49 0.80 0.00 0.00 0.00 0.00 174.94 176.42 1sfh s ALA 26 N 1.00 -1.79 -1.53 9.38 0.00 -0.83 -0.73 121.76 127.25 1sfh s ALA 26 Ca -0.05 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 1sfh s ALA 26 Cb -0.15 0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.12 1sfh s ALA 26 CO -0.04 -0.50 0.85 1.63 0.00 0.00 0.00 175.76 177.70 1sfh n LYS 27 N 0.36 -4.68 -2.56 0.00 5.02 -1.26 -1.84 118.16 113.20 1sfh n LYS 27 Ca -0.14 0.53 -0.19 0.00 -2.02 0.00 0.00 58.31 56.49 1sfh n LYS 27 Cb 0.60 -5.26 0.01 0.00 -0.02 0.00 0.00 35.03 30.35 1sfh n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sfh n MET 28 N -4.54 -2.52 -3.84 1.97 2.81 -1.26 -4.98 117.12 104.77 1sfh n MET 28 Ca -0.03 0.86 -0.12 0.00 -1.81 0.00 0.00 57.70 56.61 1sfh n MET 28 Cb 0.55 -5.43 -0.09 0.00 -0.71 0.00 0.00 33.22 27.54 1sfh n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1sfh s LYS 29 N -5.15 0.57 -0.19 0.03 1.02 -0.77 -4.81 119.74 110.43 1sfh s LYS 29 Ca 0.10 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 1sfh s LYS 29 Cb -0.04 0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1sfh s LYS 29 CO 0.12 -0.15 1.18 0.71 -0.92 0.00 0.00 175.35 176.29 1sfh s TYR 30 N -1.52 3.04 -0.30 3.18 2.02 -1.26 -1.97 117.35 120.53 1sfh s TYR 30 Ca -0.13 1.19 0.27 0.00 -0.37 0.00 0.00 57.07 58.03 1sfh s TYR 30 Cb -0.06 -3.41 0.80 0.00 -0.40 0.00 0.00 41.96 38.88 1sfh s TYR 30 CO 0.02 -1.22 1.76 0.93 -1.57 0.00 0.00 175.55 175.47 1sfh h GLU 31 N 7.90 0.00 -2.92 -0.62 5.08 -1.03 -3.17 114.58 119.83 1sfh h GLU 31 Ca -0.24 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.51 1sfh h GLU 31 Cb 1.09 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.92 1sfh h GLU 31 CO 0.97 0.00 -0.64 2.41 -1.00 0.00 0.00 179.01 180.75 1sfh n THR 32 N -2.91 1.21 0.61 1.13 -1.04 -1.26 -4.97 114.28 107.05 1sfh n THR 32 Ca 0.03 -4.66 0.12 0.00 -2.04 0.00 0.00 64.05 57.50 1sfh n THR 32 Cb 0.42 -2.10 0.46 0.00 -1.82 0.00 0.00 70.33 67.29 1sfh n THR 32 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sfh n PRO 33 N 2.03 0.16 -3.84 -2.82 -0.04 -1.20 -4.29 135.00 125.00 1sfh n PRO 33 Ca 0.22 0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 63.64 1sfh n PRO 33 Cb 0.37 -1.73 -0.16 0.00 -0.04 0.00 0.00 33.50 31.94 1sfh n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1sfh s GLU 34 N -3.13 1.17 -0.10 0.54 2.12 -1.26 -0.74 118.70 117.30 1sfh s GLU 34 Ca 0.09 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.88 1sfh s GLU 34 Cb 0.12 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 1sfh s GLU 34 CO 0.49 -0.53 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.35 1sfh s LEU 35 N 1.67 2.59 -0.28 2.70 2.96 -0.80 -5.02 118.68 122.51 1sfh s LEU 35 Ca -0.01 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1sfh s LEU 35 Cb -0.17 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.98 1sfh s LEU 35 CO -0.07 0.21 0.04 -1.00 -1.32 0.00 0.00 176.35 174.21 1sfh s HIS 36 N 0.07 3.12 0.43 5.38 3.76 -1.26 -0.42 115.29 126.37 1sfh s HIS 36 Ca -0.06 -1.14 0.03 0.00 -0.15 0.00 0.00 55.06 53.74 1sfh s HIS 36 Cb -0.15 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.32 1sfh s HIS 36 CO 0.05 -0.62 0.10 0.14 -0.85 0.00 0.00 174.74 173.56 1sfh s VAL 37 N 1.45 0.74 0.16 -0.90 -7.23 -0.05 -4.99 120.40 109.57 1sfh s VAL 37 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1sfh s VAL 37 Cb -0.17 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1sfh s VAL 37 CO 0.00 0.00 0.11 -0.54 -0.31 0.00 0.00 175.10 174.36 1sfh s LYS 38 N -3.74 2.81 0.16 4.82 -0.14 -1.26 -1.15 119.74 121.23 1sfh s LYS 38 Ca 0.21 -0.90 -0.34 0.00 -1.36 0.00 0.00 55.97 53.58 1sfh s LYS 38 Cb 0.03 -2.60 -0.15 0.00 -1.68 0.00 0.00 37.83 33.43 1sfh s LYS 38 CO 0.12 0.49 1.41 0.28 -0.76 0.00 0.00 175.35 176.89 1sfh n VAL 39 N -0.24 0.37 -0.08 3.17 0.31 -1.26 -1.28 118.33 119.32 1sfh n VAL 39 Ca -0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1sfh n VAL 39 Cb 0.54 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1sfh n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sfh n GLY 40 N 2.67 0.61 3.78 2.92 0.00 0.95 -5.01 105.19 111.10 1sfh n GLY 40 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1sfh n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sfh s ASP 41 N -2.64 7.06 -0.12 1.61 1.01 -0.40 -4.75 116.67 118.43 1sfh s ASP 41 Ca 0.00 2.02 -0.10 0.00 0.71 0.00 0.00 52.55 55.18 1sfh s ASP 41 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1sfh s ASP 41 CO 0.00 -0.27 0.21 -0.89 0.21 0.00 0.00 175.17 174.43 1sfh s THR 42 N -1.52 5.37 -0.07 -1.27 2.01 -1.26 -1.39 115.64 117.50 1sfh s THR 42 Ca 0.52 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.94 1sfh s THR 42 Cb -0.23 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1sfh s THR 42 CO 0.29 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.88 1sfh s VAL 43 N -0.49 2.59 -0.17 3.82 1.01 0.17 -4.26 120.40 123.06 1sfh s VAL 43 Ca 0.16 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1sfh s VAL 43 Cb -0.13 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1sfh s VAL 43 CO 0.04 0.57 -0.18 -0.89 0.00 0.00 0.00 175.10 174.64 1sfh s THR 44 N -0.21 2.32 0.14 3.92 2.01 -0.34 -1.23 115.64 122.25 1sfh s THR 44 Ca -0.01 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.92 1sfh s THR 44 Cb -0.13 -1.98 -0.07 0.00 0.01 0.00 0.00 72.50 70.32 1sfh s THR 44 CO 0.03 0.52 0.67 0.26 -0.69 0.00 0.00 174.62 175.41 1sfh s TRP 45 N 1.17 3.79 -0.08 4.92 0.51 -0.00 -0.88 118.94 128.36 1sfh s TRP 45 Ca 0.02 1.40 -0.01 0.00 -2.12 0.00 0.00 56.10 55.39 1sfh s TRP 45 Cb -0.14 -2.60 0.03 0.00 -0.81 0.00 0.00 33.47 29.95 1sfh s TRP 45 CO -0.08 0.50 -0.02 0.42 -0.51 0.00 0.00 176.95 177.25 1sfh s ILE 46 N -1.25 0.58 -0.23 2.03 1.01 -0.38 -1.15 121.20 121.81 1sfh s ILE 46 Ca 0.35 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.72 1sfh s ILE 46 Cb -0.20 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1sfh s ILE 46 CO 0.22 0.29 0.96 0.21 0.00 0.00 0.00 174.94 176.63 1sfh s ASN 47 N 1.88 7.01 0.00 3.58 2.47 -0.35 -0.60 114.94 128.93 1sfh s ASN 47 Ca 0.05 1.26 0.23 0.00 0.42 0.00 0.00 52.86 54.82 1sfh s ASN 47 Cb -0.12 -2.50 0.23 0.00 -1.45 0.00 0.00 41.25 37.40 1sfh s ASN 47 CO -0.06 -0.61 1.27 0.54 -3.72 0.00 0.00 177.10 174.51 1sfh n ARG 48 N 6.20 2.28 -4.42 0.43 5.12 0.09 -0.19 116.66 126.17 1sfh n ARG 48 Ca 0.10 -1.96 -0.21 0.00 -1.93 0.00 0.00 57.85 53.85 1sfh n ARG 48 Cb 0.47 -1.46 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 1sfh n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1sfh s GLU 49 N -1.85 1.57 0.23 5.56 -1.05 -1.25 -4.78 118.70 117.13 1sfh s GLU 49 Ca 0.29 -1.84 -0.04 0.00 -0.15 0.00 0.00 54.97 53.23 1sfh s GLU 49 Cb 0.20 -0.88 0.25 0.00 -0.44 0.00 0.00 34.13 33.26 1sfh s GLU 49 CO 0.30 -0.12 1.73 0.00 0.95 0.00 0.00 175.26 178.11 1sfh h ALA 50 N 2.22 1.02 -2.22 -0.84 0.00 -1.96 -3.27 119.26 114.21 1sfh h ALA 50 Ca -0.40 -0.28 -0.58 0.00 0.00 0.00 0.00 54.91 53.65 1sfh h ALA 50 Cb 1.24 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 18.86 1sfh h ALA 50 CO 0.68 0.61 0.98 -0.12 0.00 0.00 0.00 179.25 181.40 1sfh n MET 51 N -4.21 2.30 -2.21 0.00 0.00 -1.26 -4.46 117.12 107.28 1sfh n MET 51 Ca 0.03 0.84 -0.34 0.00 0.00 0.00 0.00 57.70 58.23 1sfh n MET 51 Cb 0.31 -2.66 0.00 0.00 0.00 0.00 0.00 33.22 30.87 1sfh n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1sfh s PRO 52 N 2.55 3.39 0.17 2.12 0.02 -1.26 -4.79 135.00 137.20 1sfh s PRO 52 Ca 0.85 1.40 -0.06 0.00 0.02 0.00 0.00 61.00 63.21 1sfh s PRO 52 Cb -0.64 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.83 1sfh s PRO 52 CO 0.43 -0.78 0.23 -1.01 -0.33 0.00 0.00 177.00 175.54 1sfh s HIS 53 N -2.09 0.64 0.08 6.54 3.76 -0.95 -4.97 115.29 118.30 1sfh s HIS 53 Ca 0.68 -0.98 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1sfh s HIS 53 Cb -0.19 -0.21 -0.01 0.00 1.11 0.00 0.00 32.58 33.28 1sfh s HIS 53 CO 0.30 -0.70 0.07 0.27 -0.85 0.00 0.00 174.74 173.83 1sfh n ASN 54 N -0.22 -0.18 -4.30 1.40 6.94 -1.26 -0.62 115.26 117.02 1sfh n ASN 54 Ca -0.04 -1.55 -0.30 0.00 -0.02 0.00 0.00 54.58 52.67 1sfh n ASN 54 Cb 0.64 0.43 -0.16 0.00 -2.36 0.00 0.00 39.78 38.32 1sfh n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1sfh s VAL 55 N -2.34 1.97 -0.06 3.53 -7.23 -1.26 -4.38 120.40 110.62 1sfh s VAL 55 Ca 0.10 -1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1sfh s VAL 55 Cb 0.00 -1.64 0.04 0.00 0.56 0.00 0.00 36.38 35.34 1sfh s VAL 55 CO 0.07 0.52 0.09 -2.28 -0.31 0.00 0.00 175.10 173.19 1sfh s HIS 56 N -0.62 0.01 -0.19 2.82 5.04 0.68 -0.45 115.29 122.59 1sfh s HIS 56 Ca 0.10 0.31 -0.04 0.00 -1.54 0.00 0.00 55.06 53.88 1sfh s HIS 56 Cb -0.10 -0.44 -0.02 0.00 0.04 0.00 0.00 32.58 32.06 1sfh s HIS 56 CO -0.00 -0.24 -0.02 -0.06 -2.34 0.00 0.00 174.74 172.08 1sfh s PHE 57 N 2.20 3.02 0.89 3.88 0.40 -0.07 -1.31 117.98 126.98 1sfh s PHE 57 Ca 0.04 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1sfh s PHE 57 Cb -0.12 -2.04 0.12 0.00 0.51 0.00 0.00 43.02 41.49 1sfh s PHE 57 CO -0.04 -0.21 1.10 0.14 0.70 0.00 0.00 175.22 176.91 1sfh s VAL 58 N 0.84 2.55 0.24 -0.44 -7.23 -1.26 -0.86 120.40 114.24 1sfh s VAL 58 Ca -0.00 0.18 -0.31 0.00 -1.81 0.00 0.00 61.98 60.04 1sfh s VAL 58 Cb -0.14 -2.80 -0.13 0.00 0.56 0.00 0.00 36.38 33.86 1sfh s VAL 58 CO 0.02 -0.23 1.38 0.00 -0.31 0.00 0.00 175.10 175.96 1sfh n ALA 59 N -3.76 1.00 0.00 1.32 0.00 -1.26 -2.07 120.51 115.74 1sfh n ALA 59 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1sfh n ALA 59 Cb 0.57 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1sfh n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfh n GLY 60 N 2.06 3.43 0.08 0.00 0.00 -0.08 -4.87 105.19 105.81 1sfh n GLY 60 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1sfh n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sfh h VAL 61 N 0.00 1.03 -0.02 1.61 2.07 -1.69 -3.34 116.25 115.91 1sfh h VAL 61 Ca 0.00 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1sfh h VAL 61 Cb 0.00 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1sfh h VAL 61 CO 0.00 0.33 -0.05 0.18 0.02 0.00 0.00 177.57 178.04 1sfh n LEU 62 N -4.75 2.37 0.00 2.57 4.77 -1.26 -4.87 117.00 115.82 1sfh n LEU 62 Ca -0.07 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1sfh n LEU 62 Cb 0.28 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1sfh n LEU 62 CO 0.22 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1sfh n GLY 63 N 1.30 -1.02 0.11 -0.72 0.00 -1.25 -0.09 105.19 103.51 1sfh n GLY 63 Ca 0.15 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 1sfh n GLY 63 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sfh h GLU 64 N 1.61 0.15 -7.04 1.61 4.81 -1.96 -0.18 114.58 113.58 1sfh h GLU 64 Ca 0.00 -0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 58.76 1sfh h GLU 64 Cb 0.00 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1sfh h GLU 64 CO 0.00 0.10 0.37 0.00 -0.73 0.00 0.00 179.01 178.75 1sfh s ALA 65 N -6.18 2.98 0.75 2.92 0.00 -1.26 -2.13 121.76 118.84 1sfh s ALA 65 Ca -0.13 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1sfh s ALA 65 Cb 0.09 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1sfh s ALA 65 CO 0.69 -0.12 1.18 0.00 0.00 0.00 0.00 175.76 177.52 1sfh s ALA 66 N -1.97 2.06 -0.30 0.00 0.00 -1.26 -4.15 121.76 116.14 1sfh s ALA 66 Ca 0.63 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1sfh s ALA 66 Cb -0.15 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.59 1sfh s ALA 66 CO 0.19 -1.95 -0.03 -1.17 0.00 0.00 0.00 175.76 172.80 1sfh s LEU 67 N -5.38 3.90 -0.58 0.00 2.96 -0.04 -4.91 118.68 114.64 1sfh s LEU 67 Ca 0.72 -1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 1sfh s LEU 67 Cb -0.27 -1.65 0.15 0.00 0.50 0.00 0.00 46.19 44.92 1sfh s LEU 67 CO 0.47 -0.26 0.49 -0.54 -1.32 0.00 0.00 176.35 175.19 1sfh s LYS 68 N 1.15 2.87 0.82 1.98 1.02 -1.26 -0.89 119.74 125.42 1sfh s LYS 68 Ca -0.04 -1.95 -0.11 0.00 0.02 0.00 0.00 55.97 53.88 1sfh s LYS 68 Cb -0.20 -4.13 0.09 0.00 -0.52 0.00 0.00 37.83 33.07 1sfh s LYS 68 CO -0.04 -1.26 1.14 0.20 -0.92 0.00 0.00 175.35 174.48 1sfh s GLY 69 N 2.70 1.84 0.61 -3.33 0.00 0.41 -4.98 107.32 104.57 1sfh s GLY 69 Ca 0.08 0.55 -0.17 0.00 0.00 0.00 0.00 44.72 45.18 1sfh s GLY 69 CO -0.01 0.94 1.12 2.56 0.00 0.00 0.00 173.10 177.70 1sfh s PRO 70 N -4.55 3.05 0.28 2.90 0.04 -1.26 -4.65 135.00 130.80 1sfh s PRO 70 Ca 0.66 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1sfh s PRO 70 Cb -0.22 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 1sfh s PRO 70 CO 0.54 -1.07 1.52 -0.12 0.04 0.00 0.00 177.00 177.91 1sfh n MET 71 N -1.92 2.47 -3.94 4.56 0.00 -1.26 -4.59 117.12 112.43 1sfh n MET 71 Ca 0.11 0.88 -0.35 0.00 -0.00 0.00 0.00 57.70 58.34 1sfh n MET 71 Cb 0.52 -2.61 -0.14 0.00 0.00 0.00 0.00 33.22 30.98 1sfh n MET 71 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1sfh s MET 72 N -0.59 3.04 0.92 2.12 -1.94 0.21 -4.82 119.30 118.26 1sfh s MET 72 Ca 0.65 -0.84 -0.15 0.00 -1.71 0.00 0.00 55.69 53.64 1sfh s MET 72 Cb -0.54 -2.98 0.17 0.00 2.01 0.00 0.00 34.83 33.48 1sfh s MET 72 CO 0.50 -0.32 1.28 0.15 -0.01 0.00 0.00 175.02 176.62 1sfh s LYS 73 N 1.38 0.98 0.22 2.03 1.02 -1.26 -2.25 119.74 121.87 1sfh s LYS 73 Ca 0.03 -0.28 -0.32 0.00 0.02 0.00 0.00 55.97 55.42 1sfh s LYS 73 Cb -0.16 -1.88 -0.14 0.00 -0.52 0.00 0.00 37.83 35.14 1sfh s LYS 73 CO -0.04 -2.20 1.38 1.17 -0.92 0.00 0.00 175.35 174.73 1sfh n LYS 74 N -3.65 1.89 -2.40 1.68 4.81 -1.23 -1.56 118.16 117.70 1sfh n LYS 74 Ca 0.13 0.67 -0.19 0.00 -0.87 0.00 0.00 58.31 58.06 1sfh n LYS 74 Cb 0.60 -2.31 -0.01 0.00 0.02 0.00 0.00 35.03 33.33 1sfh n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sfh n GLU 75 N 2.07 -1.72 -4.17 1.64 -0.58 0.73 -5.00 120.64 113.61 1sfh n GLU 75 Ca 0.12 0.91 -0.29 0.00 -0.42 0.00 0.00 57.16 57.48 1sfh n GLU 75 Cb 0.30 -5.47 -0.08 0.00 -0.57 0.00 0.00 31.44 25.62 1sfh n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1sfh s GLN 76 N -4.99 2.42 0.16 3.49 -0.21 -0.60 -0.92 119.66 119.00 1sfh s GLN 76 Ca 0.02 -0.94 0.05 0.00 0.02 0.00 0.00 55.36 54.51 1sfh s GLN 76 Cb -0.01 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 1sfh s GLN 76 CO 0.02 0.51 -0.12 0.00 -2.12 0.00 0.00 175.29 173.59 1sfh s ALA 77 N -1.39 1.58 -0.20 6.09 0.00 0.25 -1.21 121.76 126.89 1sfh s ALA 77 Ca 0.25 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1sfh s ALA 77 Cb -0.11 -0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.07 1sfh s ALA 77 CO 0.17 -0.03 0.49 -0.47 0.00 0.00 0.00 175.76 175.93 1sfh s TYR 78 N -3.05 -0.67 0.09 0.00 5.04 -0.30 -0.83 117.35 117.63 1sfh s TYR 78 Ca 0.17 1.46 0.09 0.00 -2.44 0.00 0.00 57.07 56.35 1sfh s TYR 78 Cb 0.01 0.31 -0.04 0.00 0.35 0.00 0.00 41.96 42.59 1sfh s TYR 78 CO 0.02 -0.35 -0.21 -1.12 -1.34 0.00 0.00 175.55 172.55 1sfh s SER 79 N 1.06 3.62 0.02 4.32 0.01 -1.26 -0.82 113.70 120.66 1sfh s SER 79 Ca -0.06 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.62 1sfh s SER 79 Cb -0.06 -0.44 -0.02 0.00 0.21 0.00 0.00 66.02 65.71 1sfh s SER 79 CO -0.10 0.21 -0.04 -0.76 0.41 0.00 0.00 173.24 172.96 1sfh s LEU 80 N -1.83 2.18 -0.18 2.44 1.43 -0.37 -4.32 118.68 118.02 1sfh s LEU 80 Ca 0.15 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1sfh s LEU 80 Cb -0.10 -0.06 -0.01 0.00 0.03 0.00 0.00 46.19 46.05 1sfh s LEU 80 CO 0.07 -0.17 -0.10 -0.89 0.23 0.00 0.00 176.35 175.49 1sfh s THR 81 N -1.02 3.07 -0.22 5.49 2.01 -0.44 -0.66 115.64 123.86 1sfh s THR 81 Ca -0.09 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 1sfh s THR 81 Cb -0.07 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1sfh s THR 81 CO -0.00 0.48 0.43 -0.36 -0.69 0.00 0.00 174.62 174.47 1sfh s PHE 82 N 0.97 3.34 -0.73 4.92 0.40 -0.49 -0.51 117.98 125.88 1sfh s PHE 82 Ca -0.01 0.60 0.06 0.00 -0.60 0.00 0.00 56.93 56.98 1sfh s PHE 82 Cb -0.15 -2.58 0.08 0.00 0.51 0.00 0.00 43.02 40.88 1sfh s PHE 82 CO -0.01 -0.10 0.81 0.25 0.70 0.00 0.00 175.22 176.88 1sfh n THR 83 N 4.62 0.25 -3.82 0.64 -2.24 -0.28 -0.04 114.28 113.42 1sfh n THR 83 Ca -0.07 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 60.96 1sfh n THR 83 Cb 0.51 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 1sfh n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sfh s GLU 84 N -0.65 0.11 0.34 -0.78 2.12 -1.22 -4.74 118.70 113.88 1sfh s GLU 84 Ca 0.09 0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 1sfh s GLU 84 Cb 0.06 0.01 -0.11 0.00 0.26 0.00 0.00 34.13 34.35 1sfh s GLU 84 CO 0.08 -0.04 1.46 0.00 -0.54 0.00 0.00 175.26 176.22 1sfh s ALA 85 N 0.27 3.59 0.00 6.30 0.00 -1.26 -4.83 121.76 125.83 1sfh s ALA 85 Ca -0.02 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1sfh s ALA 85 Cb -0.03 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1sfh s ALA 85 CO -0.01 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1sfh n GLY 86 N 0.98 -1.81 3.18 0.00 0.00 -0.39 -4.98 105.19 102.17 1sfh n GLY 86 Ca 0.03 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 1sfh n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sfh s THR 87 N -2.65 2.00 -0.26 2.61 2.01 -1.26 -0.54 115.64 117.54 1sfh s THR 87 Ca 0.00 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1sfh s THR 87 Cb 0.00 -1.76 0.07 0.00 0.01 0.00 0.00 72.50 70.82 1sfh s THR 87 CO 0.00 0.54 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.12 1sfh s TYR 88 N 0.65 2.78 0.29 4.92 2.02 0.04 -4.99 117.35 123.06 1sfh s TYR 88 Ca -0.12 -2.10 -0.17 0.00 -0.37 0.00 0.00 57.07 54.32 1sfh s TYR 88 Cb -0.16 -1.89 -0.09 0.00 -0.40 0.00 0.00 41.96 39.42 1sfh s TYR 88 CO 0.02 -0.84 0.73 -0.51 -1.57 0.00 0.00 175.55 173.39 1sfh s ASP 89 N 1.26 6.87 0.15 2.29 1.01 -1.26 -1.28 116.67 125.72 1sfh s ASP 89 Ca -0.03 1.33 -0.08 0.00 0.71 0.00 0.00 52.55 54.48 1sfh s ASP 89 Cb -0.19 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1sfh s ASP 89 CO -0.08 -0.13 0.25 -0.72 0.21 0.00 0.00 175.17 174.71 1sfh s TYR 90 N -1.83 0.43 0.28 4.23 1.13 -0.17 -4.61 117.35 116.82 1sfh s TYR 90 Ca 0.50 -0.81 -0.01 0.00 -1.41 0.00 0.00 57.07 55.35 1sfh s TYR 90 Cb -0.12 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.61 1sfh s TYR 90 CO 0.19 -0.68 0.32 -3.38 -2.51 0.00 0.00 175.55 169.48 1sfh s HIS 91 N -3.97 1.17 -0.19 -3.49 -3.43 -0.43 -1.48 115.29 103.47 1sfh s HIS 91 Ca 0.17 -1.33 -0.15 0.00 -0.80 0.00 0.00 55.06 52.95 1sfh s HIS 91 Cb 0.04 -0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 30.80 1sfh s HIS 91 CO -0.01 -0.90 0.34 0.00 -2.00 0.00 0.00 174.74 172.18 1sfh h THR 93 N 4.92 1.09 -0.18 0.00 2.02 -1.91 -2.26 112.91 116.59 1sfh h THR 93 Ca -0.38 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1sfh h THR 93 Cb 1.16 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1sfh h THR 93 CO 0.72 0.18 -0.41 -0.26 0.37 0.00 0.00 175.52 176.12 1sfh h PHE 94 N 0.98 0.50 -2.49 3.16 -1.00 -1.93 -3.38 116.94 112.77 1sfh h PHE 94 Ca 0.34 -0.14 -0.59 0.00 2.81 0.00 0.00 57.97 60.38 1sfh h PHE 94 Cb 0.07 -0.11 -0.39 0.00 3.61 0.00 0.00 35.95 39.13 1sfh h PHE 94 CO -0.03 0.77 -0.86 0.72 -1.61 0.00 0.00 178.31 177.30 1sfh n HIS 95 N -4.02 0.59 0.25 -0.55 8.25 -0.97 -5.00 115.22 113.76 1sfh n HIS 95 Ca -0.02 -3.67 0.10 0.00 -0.26 0.00 0.00 57.72 53.88 1sfh n HIS 95 Cb 0.50 -0.12 0.50 0.00 1.12 0.00 0.00 29.99 32.00 1sfh n HIS 95 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1sfh n PRO 96 N 2.26 0.14 0.23 -0.41 -0.02 -0.89 -0.82 135.00 135.49 1sfh n PRO 96 Ca 0.26 0.54 0.16 0.00 -2.02 0.00 0.00 63.50 62.44 1sfh n PRO 96 Cb 0.45 -1.88 0.66 0.00 -0.02 0.00 0.00 33.50 32.71 1sfh n PRO 96 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1sfh h PHE 97 N 0.00 0.00 -3.14 6.00 -5.15 -1.95 -3.42 116.94 109.28 1sfh h PHE 97 Ca 0.00 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.20 1sfh h PHE 97 Cb 0.14 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.25 1sfh h PHE 97 CO 0.00 0.00 0.90 -1.64 -2.00 0.00 0.00 178.31 175.57 1sfh s MET 98 N -3.58 4.06 0.04 6.09 -1.94 -0.00 -5.02 119.30 118.95 1sfh s MET 98 Ca 0.01 1.29 0.04 0.00 -1.71 0.00 0.00 55.69 55.33 1sfh s MET 98 Cb 0.09 -3.79 -0.02 0.00 2.01 0.00 0.00 34.83 33.12 1sfh s MET 98 CO 0.46 -0.92 -0.13 1.03 -0.01 0.00 0.00 175.02 175.45 1sfh s ARG 99 N 3.78 0.83 0.27 2.03 0.52 -1.26 -2.25 118.95 122.87 1sfh s ARG 99 Ca 0.52 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1sfh s ARG 99 Cb -0.16 -0.81 -0.01 0.00 0.52 0.00 0.00 34.95 34.48 1sfh s ARG 99 CO 0.17 0.19 0.38 0.20 0.02 0.00 0.00 175.30 176.26 1sfh s GLY 100 N -1.28 1.13 0.02 -3.53 0.00 -0.55 -4.73 107.32 98.38 1sfh s GLY 100 Ca -0.01 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.24 1sfh s GLY 100 CO 0.01 -0.98 0.31 -1.59 0.00 0.00 0.00 173.10 170.85 1sfh s LYS 101 N -3.75 0.74 -0.17 2.90 -2.85 0.08 -1.00 119.74 115.69 1sfh s LYS 101 Ca 0.30 -0.36 -0.00 0.00 -1.00 0.00 0.00 55.97 54.91 1sfh s LYS 101 Cb 0.02 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1sfh s LYS 101 CO 0.14 -0.22 -0.14 0.08 0.10 0.00 0.00 175.35 175.31 1sfh s VAL 102 N -1.96 2.69 -0.26 1.79 1.01 -0.40 -1.90 120.40 121.37 1sfh s VAL 102 Ca -0.09 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1sfh s VAL 102 Cb -0.03 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1sfh s VAL 102 CO 0.00 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 175.03 1sfh s VAL 103 N 1.01 4.71 -0.17 2.92 1.01 0.44 -0.78 120.40 129.53 1sfh s VAL 103 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1sfh s VAL 103 Cb -0.15 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1sfh s VAL 103 CO -0.03 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.58 1sfh s VAL 104 N 1.58 2.94 -0.98 2.92 1.01 0.29 -0.88 120.40 127.29 1sfh s VAL 104 Ca 0.06 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1sfh s VAL 104 Cb -0.15 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.02 1sfh s VAL 104 CO 0.06 0.49 0.75 -0.62 0.00 0.00 0.00 175.10 175.78