#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 1.61 -3.73 -1.24 5.02 0.30 -4.93 118.16 115.18 1sfh n LYS 2 Ca 0.00 -1.46 -0.13 0.00 -2.02 0.00 0.00 58.31 54.70 1sfh n LYS 2 Cb 0.00 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.68 -0.82 0.33 7.82 0.00 -1.26 -1.86 121.76 124.29 1sfh s ALA 3 Ca 0.20 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.51 1sfh s ALA 3 Cb 0.15 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.42 1sfh s ALA 3 CO 0.28 -0.35 -0.03 0.95 0.00 0.00 0.00 175.76 176.62 1sfh s THR 4 N -1.92 2.55 -0.33 0.00 -4.23 -0.39 -4.93 115.64 106.40 1sfh s THR 4 Ca -0.09 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 1sfh s THR 4 Cb -0.03 -2.73 0.10 0.00 1.34 0.00 0.00 72.50 71.18 1sfh s THR 4 CO 0.01 -0.22 0.05 -0.63 -0.54 0.00 0.00 174.62 173.29 1sfh s ILE 5 N -2.53 1.93 0.10 2.99 1.01 -1.26 -1.12 121.20 122.31 1sfh s ILE 5 Ca 0.34 -2.06 0.29 0.00 0.00 0.00 0.00 60.65 59.21 1sfh s ILE 5 Cb 0.00 -2.41 0.32 0.00 0.01 0.00 0.00 42.46 40.38 1sfh s ILE 5 CO 0.18 -0.57 1.90 1.55 0.00 0.00 0.00 174.94 178.00 1sfh h PRO 6 N 7.74 0.00 -3.03 2.79 0.13 -1.96 -3.40 132.00 134.26 1sfh h PRO 6 Ca -0.07 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.56 1sfh h PRO 6 Cb 1.02 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.75 1sfh h PRO 6 CO 0.50 0.10 -0.76 0.45 -0.23 0.00 0.00 178.00 178.06 1sfh s SER 7 N -5.94 2.91 0.22 1.44 0.15 -1.26 -5.03 113.70 106.18 1sfh s SER 7 Ca 0.01 -0.92 -0.08 0.00 0.70 0.00 0.00 55.95 55.65 1sfh s SER 7 Cb 0.09 -0.35 0.23 0.00 -1.71 0.00 0.00 66.02 64.29 1sfh s SER 7 CO 0.59 -0.38 1.86 -0.33 1.20 0.00 0.00 173.24 176.18 1sfh h GLU 8 N 8.38 0.91 -6.46 5.44 5.08 -1.96 -3.43 114.58 122.54 1sfh h GLU 8 Ca -0.17 -0.05 -0.46 0.00 -1.00 0.00 0.00 59.36 57.68 1sfh h GLU 8 Cb 1.09 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1sfh h GLU 8 CO 0.36 0.60 -0.24 -1.12 -1.00 0.00 0.00 179.01 177.60 1sfh s SER 9 N -5.78 6.07 0.67 1.42 0.01 -1.26 -4.72 113.70 110.12 1sfh s SER 9 Ca -0.13 0.17 -0.17 0.00 1.31 0.00 0.00 55.95 57.13 1sfh s SER 9 Cb 0.16 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.76 1sfh s SER 9 CO 0.78 -0.41 1.26 -2.84 0.41 0.00 0.00 173.24 172.44 1sfh s PRO 10 N -4.29 2.41 0.26 12.44 0.02 -1.26 -4.89 135.00 139.69 1sfh s PRO 10 Ca 0.43 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.42 1sfh s PRO 10 Cb -0.10 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1sfh s PRO 10 CO 0.34 -1.68 0.08 -0.59 -0.33 0.00 0.00 177.00 174.82 1sfh s PHE 11 N -1.60 1.58 0.27 6.54 -0.71 -0.26 -4.91 117.98 118.89 1sfh s PHE 11 Ca 0.80 -1.12 -0.29 0.00 -1.04 0.00 0.00 56.93 55.27 1sfh s PHE 11 Cb -0.34 -0.94 -0.10 0.00 -1.21 0.00 0.00 43.02 40.43 1sfh s PHE 11 CO 0.41 -0.26 1.35 0.00 -1.34 0.00 0.00 175.22 175.38 1sfh s ALA 12 N -3.67 3.54 0.47 1.99 0.00 -1.26 -0.31 121.76 122.53 1sfh s ALA 12 Ca 0.36 1.24 0.16 0.00 0.00 0.00 0.00 51.96 53.72 1sfh s ALA 12 Cb 0.08 -3.50 1.14 0.00 0.00 0.00 0.00 23.12 20.84 1sfh s ALA 12 CO 0.13 -0.64 2.04 0.00 0.00 0.00 0.00 175.76 177.29 1sfh h ALA 13 N 4.38 2.07 0.00 0.00 0.00 -1.59 -0.52 119.26 123.58 1sfh h ALA 13 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sfh h ALA 13 Cb 1.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1sfh h ALA 13 CO 0.72 -0.15 -0.00 0.00 0.00 0.00 0.00 179.25 179.82 1sfh h ALA 14 N 1.79 1.01 -0.69 0.00 0.00 -1.90 -2.05 119.26 117.42 1sfh h ALA 14 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sfh h ALA 14 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sfh h ALA 14 CO -0.03 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1sfh n GLU 15 N -3.09 3.47 -1.78 0.00 1.02 -0.20 -4.96 120.64 115.08 1sfh n GLU 15 Ca -0.02 -2.85 -0.42 0.00 -0.02 0.00 0.00 57.16 53.85 1sfh n GLU 15 Cb 0.11 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 1sfh n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sfh s VAL 16 N -1.60 2.11 0.90 2.62 1.01 -0.77 -4.92 120.40 119.74 1sfh s VAL 16 Ca 0.52 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 1sfh s VAL 16 Cb 0.31 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.69 1sfh s VAL 16 CO 0.28 0.01 -0.13 0.00 0.00 0.00 0.00 175.10 175.27 1sfh n ALA 17 N 2.65 -0.65 -1.63 5.51 0.00 -1.26 -4.90 120.51 120.22 1sfh n ALA 17 Ca 0.10 -0.88 -0.47 0.00 0.00 0.00 0.00 53.44 52.19 1sfh n ALA 17 Cb 0.37 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 1sfh n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sfh n ASP 18 N 0.55 3.37 -1.59 0.00 9.92 -1.26 -3.45 116.55 124.10 1sfh n ASP 18 Ca 0.02 0.76 -0.03 0.00 -0.53 0.00 0.00 54.79 55.01 1sfh n ASP 18 Cb 0.37 -1.41 -0.01 0.00 -0.64 0.00 0.00 41.12 39.43 1sfh n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sfh n GLY 19 N 4.94 -0.01 3.38 0.44 0.00 -1.26 -4.86 105.19 107.82 1sfh n GLY 19 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1sfh n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfh n ALA 20 N -1.32 -2.39 -2.59 4.61 0.00 -1.22 -4.91 120.51 112.68 1sfh n ALA 20 Ca -0.03 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1sfh n ALA 20 Cb 0.25 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1sfh n ALA 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sfh s ILE 21 N -1.46 4.14 -0.10 0.00 1.01 -1.25 -5.00 121.20 118.54 1sfh s ILE 21 Ca 0.61 1.12 -0.00 0.00 0.00 0.00 0.00 60.65 62.38 1sfh s ILE 21 Cb -0.68 -4.65 -0.03 0.00 0.01 0.00 0.00 42.46 37.11 1sfh s ILE 21 CO 0.60 -1.12 -0.08 -0.69 0.00 0.00 0.00 174.94 173.65 1sfh s VAL 22 N 4.63 3.59 -0.29 2.92 1.01 -1.26 -0.57 120.40 130.42 1sfh s VAL 22 Ca 0.46 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1sfh s VAL 22 Cb -0.07 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1sfh s VAL 22 CO 0.30 0.56 -0.00 -0.69 0.00 0.00 0.00 175.10 175.27 1sfh s VAL 23 N -0.33 3.07 0.41 2.92 1.01 0.02 -4.95 120.40 122.55 1sfh s VAL 23 Ca 0.05 -1.25 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 1sfh s VAL 23 Cb -0.12 -2.71 -0.11 0.00 0.00 0.00 0.00 36.38 33.44 1sfh s VAL 23 CO 0.02 -0.04 0.93 -1.81 0.00 0.00 0.00 175.10 174.20 1sfh s ASP 24 N 1.29 6.95 -0.18 3.32 1.01 -1.26 -1.22 116.67 126.58 1sfh s ASP 24 Ca -0.03 1.66 0.01 0.00 0.71 0.00 0.00 52.55 54.89 1sfh s ASP 24 Cb -0.19 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.23 1sfh s ASP 24 CO -0.01 -0.32 -0.19 -0.63 0.21 0.00 0.00 175.17 174.23 1sfh s ILE 25 N -2.11 2.18 0.00 0.77 1.01 -0.18 -0.43 121.20 122.44 1sfh s ILE 25 Ca 0.60 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 60.08 1sfh s ILE 25 Cb -0.10 -1.92 0.06 0.00 0.01 0.00 0.00 42.46 40.52 1sfh s ILE 25 CO 0.14 0.53 0.62 0.00 0.00 0.00 0.00 174.94 176.23 1sfh s ALA 26 N 1.28 -1.61 -1.54 9.38 0.00 -0.62 -0.69 121.76 127.97 1sfh s ALA 26 Ca 0.04 1.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 1sfh s ALA 26 Cb -0.13 0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.28 1sfh s ALA 26 CO -0.12 -0.45 0.97 1.63 0.00 0.00 0.00 175.76 177.80 1sfh n LYS 27 N 0.64 -5.42 -2.48 0.00 5.02 -1.26 -1.67 118.16 112.99 1sfh n LYS 27 Ca -0.19 0.59 -0.18 0.00 -2.02 0.00 0.00 58.31 56.51 1sfh n LYS 27 Cb 0.59 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 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 -4.67 -2.10 -3.87 1.97 2.81 -1.26 -4.98 117.12 105.02 1sfh n MET 28 Ca 0.03 0.85 -0.11 0.00 -1.81 0.00 0.00 57.70 56.66 1sfh n MET 28 Cb 0.53 -5.36 -0.11 0.00 -0.71 0.00 0.00 33.22 27.57 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 -5.05 0.40 -0.12 0.03 1.02 -0.67 -4.78 119.74 110.58 1sfh s LYS 29 Ca 0.06 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 1sfh s LYS 29 Cb -0.03 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1sfh s LYS 29 CO 0.08 -0.09 1.14 0.71 -0.92 0.00 0.00 175.35 176.27 1sfh s TYR 30 N -1.04 3.22 0.13 3.18 2.02 -1.26 -1.58 117.35 122.02 1sfh s TYR 30 Ca -0.11 1.30 0.16 0.00 -0.37 0.00 0.00 57.07 58.05 1sfh s TYR 30 Cb -0.06 -3.36 0.49 0.00 -0.40 0.00 0.00 41.96 38.62 1sfh s TYR 30 CO 0.01 -1.01 1.64 0.93 -1.57 0.00 0.00 175.55 175.56 1sfh h GLU 31 N 7.52 0.00 -2.94 -0.62 5.08 -1.08 -3.26 114.58 119.29 1sfh h GLU 31 Ca -0.30 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.43 1sfh h GLU 31 Cb 1.13 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.97 1sfh h GLU 31 CO 0.91 0.47 -0.47 2.41 -1.00 0.00 0.00 179.01 181.33 1sfh n THR 32 N -3.51 2.11 1.02 1.13 -1.04 -1.26 -4.96 114.28 107.76 1sfh n THR 32 Ca -0.00 -5.01 0.12 0.00 -2.04 0.00 0.00 64.05 57.12 1sfh n THR 32 Cb 0.59 -2.20 0.59 0.00 -1.82 0.00 0.00 70.33 67.48 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 1.76 0.16 -3.71 -2.82 -0.04 -1.23 -4.04 135.00 125.09 1sfh n PRO 33 Ca 0.22 0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.44 1sfh n PRO 33 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.82 1.23 -0.22 0.54 2.12 -1.26 -0.62 118.70 117.68 1sfh s GLU 34 Ca 0.17 -1.93 -0.10 0.00 0.36 0.00 0.00 54.97 53.47 1sfh s GLU 34 Cb 0.17 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 1sfh s GLU 34 CO 0.43 -1.15 0.14 -1.17 -0.54 0.00 0.00 175.26 172.96 1sfh s LEU 35 N 0.44 4.11 -0.23 2.70 2.96 -0.77 -4.98 118.68 122.91 1sfh s LEU 35 Ca 0.17 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1sfh s LEU 35 Cb -0.24 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1sfh s LEU 35 CO -0.00 0.12 0.11 -1.00 -1.32 0.00 0.00 176.35 174.26 1sfh s HIS 36 N 0.71 3.22 0.39 5.38 3.76 -1.26 -0.32 115.29 127.18 1sfh s HIS 36 Ca 0.07 -0.00 0.04 0.00 -0.15 0.00 0.00 55.06 55.02 1sfh s HIS 36 Cb -0.12 -2.22 -0.02 0.00 1.11 0.00 0.00 32.58 31.33 1sfh s HIS 36 CO 0.01 -0.05 0.16 0.14 -0.85 0.00 0.00 174.74 174.16 1sfh s VAL 37 N 1.08 0.45 0.25 -0.90 -7.23 -0.11 -4.97 120.40 108.96 1sfh s VAL 37 Ca 0.06 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 1sfh s VAL 37 Cb -0.14 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1sfh s VAL 37 CO 0.04 0.00 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.26 1sfh s LYS 38 N -3.65 2.22 0.15 4.82 1.02 -1.26 -1.04 119.74 121.99 1sfh s LYS 38 Ca 0.27 -1.39 -0.34 0.00 0.02 0.00 0.00 55.97 54.52 1sfh s LYS 38 Cb 0.02 -2.15 -0.14 0.00 -0.52 0.00 0.00 37.83 35.04 1sfh s LYS 38 CO 0.17 0.38 1.51 0.28 -0.92 0.00 0.00 175.35 176.77 1sfh n VAL 39 N -0.65 0.08 0.00 3.17 0.31 -1.26 -1.36 118.33 118.61 1sfh n VAL 39 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1sfh n VAL 39 Cb 0.58 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 3.11 0.99 3.79 2.92 0.00 0.50 -5.02 105.19 111.48 1sfh n GLY 40 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.89 6.34 -0.18 1.61 1.01 -0.47 -4.71 116.67 118.39 1sfh s ASP 41 Ca 0.00 2.02 -0.08 0.00 0.71 0.00 0.00 52.55 55.20 1sfh s ASP 41 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1sfh s ASP 41 CO 0.00 -0.78 0.07 -0.89 0.21 0.00 0.00 175.17 173.78 1sfh s THR 42 N -1.84 4.90 -0.13 -1.27 2.01 -1.26 -1.44 115.64 116.61 1sfh s THR 42 Ca 0.65 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.62 1sfh s THR 42 Cb -0.20 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1sfh s THR 42 CO 0.24 0.46 0.04 -0.69 -0.69 0.00 0.00 174.62 173.98 1sfh s VAL 43 N 0.31 4.61 -0.15 3.82 1.01 0.14 -3.96 120.40 126.18 1sfh s VAL 43 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1sfh s VAL 43 Cb -0.12 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1sfh s VAL 43 CO -0.00 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.58 1sfh s THR 44 N -0.40 1.81 0.04 3.92 2.01 0.26 -1.17 115.64 122.12 1sfh s THR 44 Ca 0.09 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 1sfh s THR 44 Cb -0.12 -1.65 -0.06 0.00 0.01 0.00 0.00 72.50 70.68 1sfh s THR 44 CO 0.02 0.50 0.48 0.26 -0.69 0.00 0.00 174.62 175.19 1sfh s TRP 45 N 1.16 3.76 -0.10 4.92 0.51 0.10 -0.80 118.94 128.49 1sfh s TRP 45 Ca -0.00 1.12 -0.00 0.00 -2.12 0.00 0.00 56.10 55.09 1sfh s TRP 45 Cb -0.14 -2.38 0.02 0.00 -0.81 0.00 0.00 33.47 30.16 1sfh s TRP 45 CO -0.07 0.61 -0.08 0.42 -0.51 0.00 0.00 176.95 177.32 1sfh s ILE 46 N -1.11 0.98 -0.19 2.03 1.01 -0.36 -1.36 121.20 122.19 1sfh s ILE 46 Ca 0.27 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 1sfh s ILE 46 Cb -0.18 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1sfh s ILE 46 CO 0.16 0.35 1.11 0.21 0.00 0.00 0.00 174.94 176.78 1sfh s ASN 47 N 1.56 7.06 0.00 3.58 2.47 -0.35 -1.01 114.94 128.26 1sfh s ASN 47 Ca 0.02 1.50 0.24 0.00 0.42 0.00 0.00 52.86 55.04 1sfh s ASN 47 Cb -0.13 -2.54 0.37 0.00 -1.45 0.00 0.00 41.25 37.50 1sfh s ASN 47 CO -0.06 -0.68 1.36 0.54 -3.72 0.00 0.00 177.10 174.54 1sfh n ARG 48 N 6.27 2.29 -4.34 0.43 5.12 0.13 0.03 116.66 126.59 1sfh n ARG 48 Ca 0.12 -1.90 -0.17 0.00 -1.93 0.00 0.00 57.85 53.96 1sfh n ARG 48 Cb 0.46 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 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 -1.84 1.40 0.18 5.56 -1.05 -1.25 -4.78 118.70 116.91 1sfh s GLU 49 Ca 0.32 -1.73 -0.10 0.00 -0.15 0.00 0.00 54.97 53.31 1sfh s GLU 49 Cb 0.21 -0.54 0.06 0.00 -0.44 0.00 0.00 34.13 33.42 1sfh s GLU 49 CO 0.31 -0.17 1.64 0.00 0.95 0.00 0.00 175.26 177.99 1sfh h ALA 50 N 2.40 0.81 -2.39 -0.84 0.00 -1.95 -3.23 119.26 114.05 1sfh h ALA 50 Ca -0.39 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 53.67 1sfh h ALA 50 Cb 1.23 -0.22 0.05 0.00 0.00 0.00 0.00 17.79 18.85 1sfh h ALA 50 CO 0.64 0.63 0.98 -0.12 0.00 0.00 0.00 179.25 181.38 1sfh n MET 51 N -4.22 2.49 -2.17 0.00 0.00 -1.26 -4.51 117.12 107.44 1sfh n MET 51 Ca 0.03 0.90 -0.34 0.00 0.00 0.00 0.00 57.70 58.29 1sfh n MET 51 Cb 0.33 -2.74 0.01 0.00 0.00 0.00 0.00 33.22 30.81 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 1.98 3.30 0.21 2.12 0.02 -1.26 -4.82 135.00 136.54 1sfh s PRO 52 Ca 0.81 1.49 -0.05 0.00 0.02 0.00 0.00 61.00 63.27 1sfh s PRO 52 Cb -0.58 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 1sfh s PRO 52 CO 0.38 -0.87 0.24 -1.01 -0.33 0.00 0.00 177.00 175.42 1sfh s HIS 53 N -1.99 0.82 0.03 6.54 3.76 -0.96 -4.96 115.29 118.53 1sfh s HIS 53 Ca 0.70 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1sfh s HIS 53 Cb -0.21 -0.28 -0.00 0.00 1.11 0.00 0.00 32.58 33.20 1sfh s HIS 53 CO 0.30 -0.74 0.03 0.27 -0.85 0.00 0.00 174.74 173.75 1sfh n ASN 54 N -0.28 -0.09 -4.26 1.40 6.94 -1.26 -0.73 115.26 116.98 1sfh n ASN 54 Ca -0.01 -1.15 -0.27 0.00 -0.02 0.00 0.00 54.58 53.14 1sfh n ASN 54 Cb 0.64 0.17 -0.15 0.00 -2.36 0.00 0.00 39.78 38.09 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 -2.37 1.75 -0.08 3.53 -7.23 -1.26 -4.37 120.40 110.36 1sfh s VAL 55 Ca 0.02 -1.10 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1sfh s VAL 55 Cb -0.00 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.50 1sfh s VAL 55 CO 0.02 0.35 0.16 -2.28 -0.31 0.00 0.00 175.10 173.03 1sfh s HIS 56 N -0.67 -0.17 -0.21 2.82 5.04 0.32 -0.18 115.29 122.25 1sfh s HIS 56 Ca 0.08 0.60 -0.05 0.00 -1.54 0.00 0.00 55.06 54.15 1sfh s HIS 56 Cb -0.09 -0.27 -0.02 0.00 0.04 0.00 0.00 32.58 32.24 1sfh s HIS 56 CO 0.01 -0.27 -0.01 -0.06 -2.34 0.00 0.00 174.74 172.07 1sfh s PHE 57 N 2.29 3.02 0.95 3.88 0.40 -0.07 -1.27 117.98 127.17 1sfh s PHE 57 Ca 0.03 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 1sfh s PHE 57 Cb -0.12 -2.09 0.16 0.00 0.51 0.00 0.00 43.02 41.47 1sfh s PHE 57 CO -0.06 -0.32 1.09 0.14 0.70 0.00 0.00 175.22 176.78 1sfh s VAL 58 N 1.14 2.36 0.25 -0.44 -7.23 -1.26 -0.89 120.40 114.34 1sfh s VAL 58 Ca 0.02 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 1sfh s VAL 58 Cb -0.14 -2.61 -0.14 0.00 0.56 0.00 0.00 36.38 34.05 1sfh s VAL 58 CO 0.01 -0.15 1.29 0.00 -0.31 0.00 0.00 175.10 175.93 1sfh n ALA 59 N -4.03 0.63 0.00 1.32 0.00 -1.26 -1.78 120.51 115.39 1sfh n ALA 59 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1sfh n ALA 59 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.76 3.32 0.10 0.00 0.00 -0.05 -4.86 105.19 105.47 1sfh n GLY 60 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 1.05 -0.00 1.61 2.07 -1.64 -3.37 116.25 115.98 1sfh h VAL 61 Ca 0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1sfh h VAL 61 Cb 0.00 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1sfh h VAL 61 CO 0.00 0.29 -0.41 0.18 0.02 0.00 0.00 177.57 177.66 1sfh n LEU 62 N -4.84 0.82 0.00 2.57 4.77 -1.26 -4.88 117.00 114.17 1sfh n LEU 62 Ca -0.08 -0.60 0.01 0.00 -0.03 0.00 0.00 56.01 55.31 1sfh n LEU 62 Cb 0.29 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1sfh n LEU 62 CO 0.27 0.18 0.59 0.61 -1.33 0.00 0.00 177.39 177.71 1sfh n GLY 63 N 1.14 0.51 0.28 -0.72 0.00 -1.26 -0.54 105.19 104.60 1sfh n GLY 63 Ca 0.03 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.12 1sfh n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sfh h GLU 64 N 0.00 0.33 -6.06 1.61 5.08 -1.97 -0.10 114.58 113.46 1sfh h GLU 64 Ca -0.13 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.66 1sfh h GLU 64 Cb 0.68 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1sfh h GLU 64 CO 0.18 0.26 -0.52 0.00 -1.00 0.00 0.00 179.01 177.94 1sfh s ALA 65 N -5.23 3.56 0.63 3.43 0.00 -1.26 -3.71 121.76 119.19 1sfh s ALA 65 Ca -0.07 -1.89 -0.19 0.00 0.00 0.00 0.00 51.96 49.82 1sfh s ALA 65 Cb 0.17 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1sfh s ALA 65 CO 0.71 -0.03 1.30 0.00 0.00 0.00 0.00 175.76 177.75 1sfh n ALA 66 N -1.20 1.21 -3.45 0.00 0.00 -1.26 -4.08 120.51 111.73 1sfh n ALA 66 Ca -0.02 0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1sfh n ALA 66 Cb 0.62 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 1sfh n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sfh s LEU 67 N -4.17 5.07 -0.42 0.00 0.20 -0.06 -4.90 118.68 114.39 1sfh s LEU 67 Ca 0.81 -1.62 -0.12 0.00 0.69 0.00 0.00 54.13 53.89 1sfh s LEU 67 Cb -0.39 -1.92 0.05 0.00 -0.43 0.00 0.00 46.19 43.50 1sfh s LEU 67 CO 0.42 -0.52 0.28 -0.75 -0.29 0.00 0.00 176.35 175.49 1sfh s LYS 68 N 1.34 2.81 0.82 1.98 2.36 -1.26 -0.89 119.74 126.90 1sfh s LYS 68 Ca 0.03 -1.25 -0.11 0.00 -2.55 0.00 0.00 55.97 52.10 1sfh s LYS 68 Cb -0.23 -3.87 0.09 0.00 -1.05 0.00 0.00 37.83 32.76 1sfh s LYS 68 CO 0.00 -0.86 1.09 0.20 1.55 0.00 0.00 175.35 177.34 1sfh s GLY 69 N 1.98 1.66 0.61 5.54 0.00 0.75 -4.99 107.32 112.87 1sfh s GLY 69 Ca 0.03 0.20 -0.16 0.00 0.00 0.00 0.00 44.72 44.79 1sfh s GLY 69 CO 0.06 0.59 1.09 2.56 0.00 0.00 0.00 173.10 177.40 1sfh s PRO 70 N -4.89 3.10 0.22 2.90 0.04 -1.26 -4.66 135.00 130.46 1sfh s PRO 70 Ca 0.62 1.35 -0.32 0.00 0.04 0.00 0.00 61.00 62.70 1sfh s PRO 70 Cb -0.18 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 1sfh s PRO 70 CO 0.57 -1.00 1.69 -0.12 0.04 0.00 0.00 177.00 178.18 1sfh n MET 71 N -2.06 2.74 -4.08 4.56 0.00 -1.26 -4.60 117.12 112.41 1sfh n MET 71 Ca 0.10 0.99 -0.35 0.00 -0.00 0.00 0.00 57.70 58.44 1sfh n MET 71 Cb 0.52 -2.82 -0.14 0.00 0.00 0.00 0.00 33.22 30.78 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 0.83 3.38 0.86 2.12 -1.94 0.09 -4.78 119.30 119.86 1sfh s MET 72 Ca 0.73 -0.63 -0.08 0.00 -1.71 0.00 0.00 55.69 54.00 1sfh s MET 72 Cb -0.51 -2.93 0.18 0.00 2.01 0.00 0.00 34.83 33.58 1sfh s MET 72 CO 0.36 -0.10 1.17 0.15 -0.01 0.00 0.00 175.02 176.59 1sfh s LYS 73 N 1.22 1.03 0.24 2.03 1.02 -1.26 -2.26 119.74 121.75 1sfh s LYS 73 Ca 0.02 -0.87 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 1sfh s LYS 73 Cb -0.14 -2.09 -0.13 0.00 -0.52 0.00 0.00 37.83 34.94 1sfh s LYS 73 CO -0.02 -2.01 1.49 1.17 -0.92 0.00 0.00 175.35 175.06 1sfh n LYS 74 N -3.33 2.22 -2.36 1.68 4.81 -1.22 -1.63 118.16 118.33 1sfh n LYS 74 Ca 0.16 0.79 -0.20 0.00 -0.87 0.00 0.00 58.31 58.19 1sfh n LYS 74 Cb 0.60 -2.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.13 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 2.36 -1.62 -4.14 1.64 -0.58 0.10 -5.00 120.64 113.40 1sfh n GLU 75 Ca 0.12 0.99 -0.30 0.00 -0.42 0.00 0.00 57.16 57.55 1sfh n GLU 75 Cb 0.32 -5.61 -0.08 0.00 -0.57 0.00 0.00 31.44 25.50 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 -4.97 2.60 0.20 3.49 -0.21 -0.64 -1.54 119.66 118.59 1sfh s GLN 76 Ca 0.00 -0.80 0.09 0.00 0.02 0.00 0.00 55.36 54.67 1sfh s GLN 76 Cb 0.00 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1sfh s GLN 76 CO 0.00 0.55 -0.18 0.00 -2.12 0.00 0.00 175.29 173.55 1sfh s ALA 77 N -1.29 2.16 -0.19 6.09 0.00 0.58 -1.21 121.76 127.90 1sfh s ALA 77 Ca 0.25 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 1sfh s ALA 77 Cb -0.12 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 22.88 1sfh s ALA 77 CO 0.18 0.20 0.51 -0.47 0.00 0.00 0.00 175.76 176.17 1sfh s TYR 78 N -2.42 -0.58 0.14 0.00 5.04 -0.47 -1.11 117.35 117.95 1sfh s TYR 78 Ca 0.21 1.39 0.09 0.00 -2.44 0.00 0.00 57.07 56.31 1sfh s TYR 78 Cb -0.04 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.45 1sfh s TYR 78 CO 0.08 -0.29 -0.21 -1.12 -1.34 0.00 0.00 175.55 172.68 1sfh s SER 79 N 0.44 2.78 0.00 4.32 0.01 -1.26 -0.72 113.70 119.26 1sfh s SER 79 Ca -0.01 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.48 1sfh s SER 79 Cb -0.04 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1sfh s SER 79 CO -0.01 0.05 -0.04 -0.76 0.41 0.00 0.00 173.24 172.88 1sfh s LEU 80 N -2.28 2.04 -0.25 2.44 1.43 -0.31 -4.25 118.68 117.50 1sfh s LEU 80 Ca 0.12 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1sfh s LEU 80 Cb -0.08 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 1sfh s LEU 80 CO 0.06 0.01 0.02 -0.89 0.23 0.00 0.00 176.35 175.78 1sfh s THR 81 N -0.25 3.80 -0.23 5.49 2.01 -0.27 -0.68 115.64 125.52 1sfh s THR 81 Ca -0.00 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 1sfh s THR 81 Cb -0.02 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1sfh s THR 81 CO -0.00 0.32 0.40 -0.36 -0.69 0.00 0.00 174.62 174.29 1sfh s PHE 82 N 1.53 3.33 -0.85 4.92 0.40 -0.52 -1.26 117.98 125.53 1sfh s PHE 82 Ca 0.05 0.56 0.08 0.00 -0.60 0.00 0.00 56.93 57.02 1sfh s PHE 82 Cb -0.15 -2.56 0.12 0.00 0.51 0.00 0.00 43.02 40.94 1sfh s PHE 82 CO 0.00 -0.10 0.92 0.25 0.70 0.00 0.00 175.22 176.99 1sfh n THR 83 N 4.63 0.39 -3.94 0.64 -2.24 -0.78 -0.37 114.28 112.61 1sfh n THR 83 Ca -0.08 -0.70 -0.16 0.00 -2.27 0.00 0.00 64.05 60.85 1sfh n THR 83 Cb 0.51 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 1sfh n THR 83 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sfh s GLU 84 N -0.79 0.23 0.46 -0.78 2.02 -1.25 -4.75 118.70 113.84 1sfh s GLU 84 Ca 0.12 0.03 -0.24 0.00 0.02 0.00 0.00 54.97 54.90 1sfh s GLU 84 Cb 0.07 -0.35 -0.07 0.00 0.10 0.00 0.00 34.13 33.88 1sfh s GLU 84 CO 0.10 -0.07 1.34 0.00 0.02 0.00 0.00 175.26 176.65 1sfh s ALA 85 N 0.63 3.10 0.00 5.21 0.00 -1.26 -4.83 121.76 124.61 1sfh s ALA 85 Ca -0.06 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1sfh s ALA 85 Cb -0.09 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1sfh s ALA 85 CO -0.01 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.10 1sfh n GLY 86 N 0.63 -1.99 3.27 0.00 0.00 -0.26 -4.98 105.19 101.85 1sfh n GLY 86 Ca 0.06 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.87 2.37 -0.28 2.61 2.01 -1.26 -0.31 115.64 118.91 1sfh s THR 87 Ca 0.00 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.11 1sfh s THR 87 Cb 0.00 -1.93 0.08 0.00 0.01 0.00 0.00 72.50 70.65 1sfh s THR 87 CO 0.00 0.55 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.15 1sfh s TYR 88 N 0.33 2.86 0.45 4.92 2.02 -0.05 -4.98 117.35 122.91 1sfh s TYR 88 Ca -0.16 -2.22 -0.18 0.00 -0.37 0.00 0.00 57.07 54.14 1sfh s TYR 88 Cb -0.17 -2.05 -0.09 0.00 -0.40 0.00 0.00 41.96 39.25 1sfh s TYR 88 CO 0.08 -0.86 0.93 -0.51 -1.57 0.00 0.00 175.55 173.62 1sfh s ASP 89 N 1.23 6.76 0.19 2.29 1.01 -1.26 -1.11 116.67 125.78 1sfh s ASP 89 Ca 0.00 1.56 -0.10 0.00 0.71 0.00 0.00 52.55 54.72 1sfh s ASP 89 Cb -0.19 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 1sfh s ASP 89 CO -0.09 -0.45 0.35 -0.72 0.21 0.00 0.00 175.17 174.47 1sfh s TYR 90 N -2.37 0.41 0.31 4.23 1.13 -0.15 -4.59 117.35 116.33 1sfh s TYR 90 Ca 0.59 -0.76 -0.02 0.00 -1.41 0.00 0.00 57.07 55.47 1sfh s TYR 90 Cb -0.10 0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 1sfh s TYR 90 CO 0.22 -0.81 0.40 -3.38 -2.51 0.00 0.00 175.55 169.48 1sfh s HIS 91 N -3.99 1.11 -0.22 -3.49 -3.43 -0.40 -1.59 115.29 103.28 1sfh s HIS 91 Ca 0.20 -1.30 -0.16 0.00 -0.80 0.00 0.00 55.06 53.00 1sfh s HIS 91 Cb 0.02 -0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 30.93 1sfh s HIS 91 CO 0.04 -1.02 0.41 0.00 -2.00 0.00 0.00 174.74 172.17 1sfh h THR 93 N 5.12 0.66 -0.16 0.00 2.02 -1.90 -2.04 112.91 116.62 1sfh h THR 93 Ca -0.35 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1sfh h THR 93 Cb 1.16 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1sfh h THR 93 CO 0.71 0.08 -0.47 -0.26 0.37 0.00 0.00 175.52 175.95 1sfh h PHE 94 N 0.44 0.49 -2.33 3.16 -1.00 -1.93 -3.38 116.94 112.39 1sfh h PHE 94 Ca 0.40 -0.15 -0.59 0.00 2.81 0.00 0.00 57.97 60.44 1sfh h PHE 94 Cb 0.60 -0.10 -0.39 0.00 3.61 0.00 0.00 35.95 39.67 1sfh h PHE 94 CO -0.17 0.80 -0.92 0.72 -1.61 0.00 0.00 178.31 177.13 1sfh n HIS 95 N -3.99 0.34 0.31 -0.55 8.25 -0.82 -5.00 115.22 113.75 1sfh n HIS 95 Ca -0.02 -3.62 0.19 0.00 -0.26 0.00 0.00 57.72 54.01 1sfh n HIS 95 Cb 0.54 -0.15 0.95 0.00 1.12 0.00 0.00 29.99 32.45 1sfh n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1sfh h PRO 96 N 4.91 0.00 0.00 -0.41 0.11 -1.60 0.13 132.00 135.14 1sfh h PRO 96 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1sfh h PRO 96 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1sfh h PRO 96 CO 0.50 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 1sfh h PHE 97 N 0.00 0.00 -3.43 0.65 -5.15 -1.95 -3.40 116.94 103.66 1sfh h PHE 97 Ca 0.00 0.00 -0.58 0.00 -0.20 0.00 0.00 57.97 57.19 1sfh h PHE 97 Cb 0.19 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.29 1sfh h PHE 97 CO 0.00 0.00 0.75 -1.64 -2.00 0.00 0.00 178.31 175.42 1sfh s MET 98 N -3.89 3.94 0.10 6.09 -1.94 0.03 -5.03 119.30 118.60 1sfh s MET 98 Ca -0.02 0.81 0.05 0.00 -1.71 0.00 0.00 55.69 54.82 1sfh s MET 98 Cb 0.11 -3.78 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 1sfh s MET 98 CO 0.45 -0.97 -0.12 1.03 -0.01 0.00 0.00 175.02 175.39 1sfh s ARG 99 N 3.67 0.89 0.35 2.03 0.52 -1.26 -2.05 118.95 123.10 1sfh s ARG 99 Ca 0.43 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 54.42 1sfh s ARG 99 Cb -0.11 -0.70 0.02 0.00 0.52 0.00 0.00 34.95 34.67 1sfh s ARG 99 CO 0.19 0.13 0.58 0.20 0.02 0.00 0.00 175.30 176.41 1sfh s GLY 100 N -2.31 1.05 0.01 -3.53 0.00 -0.62 -4.69 107.32 97.22 1sfh s GLY 100 Ca 0.05 -1.21 -0.15 0.00 0.00 0.00 0.00 44.72 43.41 1sfh s GLY 100 CO 0.01 -0.74 0.32 -1.59 0.00 0.00 0.00 173.10 171.10 1sfh s LYS 101 N -2.90 0.75 -0.22 2.90 -2.85 0.21 -0.98 119.74 116.65 1sfh s LYS 101 Ca 0.25 -0.32 -0.03 0.00 -1.00 0.00 0.00 55.97 54.87 1sfh s LYS 101 Cb -0.02 0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1sfh s LYS 101 CO 0.16 -0.22 -0.07 0.08 0.10 0.00 0.00 175.35 175.40 1sfh s VAL 102 N -1.88 3.12 -0.41 1.79 1.01 -0.27 -1.84 120.40 121.92 1sfh s VAL 102 Ca -0.10 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1sfh s VAL 102 Cb -0.03 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1sfh s VAL 102 CO 0.01 0.42 0.29 -0.69 0.00 0.00 0.00 175.10 175.13 1sfh s VAL 103 N 1.44 5.09 -0.32 2.92 1.01 0.56 -0.87 120.40 130.22 1sfh s VAL 103 Ca 0.05 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1sfh s VAL 103 Cb -0.14 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1sfh s VAL 103 CO -0.05 -0.33 0.19 -0.69 0.00 0.00 0.00 175.10 174.22 1sfh s VAL 104 N 1.64 4.85 -2.95 2.92 1.01 0.57 -0.94 120.40 127.51 1sfh s VAL 104 Ca 0.04 -0.36 0.24 0.00 0.00 0.00 0.00 61.98 61.90 1sfh s VAL 104 Cb -0.20 -3.49 0.23 0.00 0.00 0.00 0.00 36.38 32.92 1sfh s VAL 104 CO 0.09 0.03 1.31 -0.62 0.00 0.00 0.00 175.10 175.91