#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf3 n LYS 2 N 0.00 1.43 -3.76 -1.24 4.01 0.60 -4.88 118.16 114.33 1sf3 n LYS 2 Ca 0.00 -0.95 -0.13 0.00 -0.51 0.00 0.00 58.31 56.72 1sf3 n LYS 2 Cb 0.00 -1.20 -0.09 0.00 -0.51 0.00 0.00 35.03 33.24 1sf3 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sf3 s ALA 3 N -1.35 -0.80 0.24 7.82 0.00 -1.26 -0.65 121.76 125.76 1sf3 s ALA 3 Ca 0.12 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.54 1sf3 s ALA 3 Cb 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1sf3 s ALA 3 CO 0.24 -0.26 0.05 0.95 0.00 0.00 0.00 175.76 176.75 1sf3 s THR 4 N -1.26 3.79 -0.36 0.00 -4.23 0.24 -4.93 115.64 108.88 1sf3 s THR 4 Ca -0.13 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1sf3 s THR 4 Cb -0.05 -3.01 0.10 0.00 1.34 0.00 0.00 72.50 70.88 1sf3 s THR 4 CO 0.04 -0.31 0.10 -0.63 -0.54 0.00 0.00 174.62 173.28 1sf3 s ILE 5 N -2.14 2.72 0.21 2.99 1.01 -1.26 -0.85 121.20 123.88 1sf3 s ILE 5 Ca 0.31 -2.15 -0.09 0.00 0.00 0.00 0.00 60.65 58.72 1sf3 s ILE 5 Cb -0.07 -2.90 0.16 0.00 0.01 0.00 0.00 42.46 39.65 1sf3 s ILE 5 CO 0.21 -0.59 1.83 -0.65 0.00 0.00 0.00 174.94 175.74 1sf3 h PRO 6 N 7.82 0.78 -3.79 2.79 0.11 -1.96 -3.40 132.00 134.34 1sf3 h PRO 6 Ca -0.09 -0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.50 1sf3 h PRO 6 Cb 1.03 -0.18 -0.38 0.00 0.11 0.00 0.00 31.00 31.59 1sf3 h PRO 6 CO 0.59 0.52 -0.77 0.45 -0.21 0.00 0.00 178.00 178.57 1sf3 s SER 7 N -5.68 1.94 0.39 -2.05 0.15 -1.26 -5.03 113.70 102.16 1sf3 s SER 7 Ca -0.13 -0.26 0.12 0.00 0.70 0.00 0.00 55.95 56.39 1sf3 s SER 7 Cb 0.16 -0.55 0.81 0.00 -1.71 0.00 0.00 66.02 64.73 1sf3 s SER 7 CO 0.77 -0.20 1.89 -0.33 1.20 0.00 0.00 173.24 176.57 1sf3 h GLU 8 N 8.28 0.05 -6.18 5.44 4.39 -1.95 -3.43 114.58 121.17 1sf3 h GLU 8 Ca -0.21 -0.01 -0.53 0.00 0.34 0.00 0.00 59.36 58.94 1sf3 h GLU 8 Cb 1.12 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 1sf3 h GLU 8 CO 0.30 0.32 -0.57 -1.12 -1.16 0.00 0.00 179.01 176.78 1sf3 s SER 9 N -6.95 4.91 0.83 1.42 0.01 -1.26 -4.55 113.70 108.11 1sf3 s SER 9 Ca -0.04 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 1sf3 s SER 9 Cb 0.15 -0.99 0.09 0.00 0.21 0.00 0.00 66.02 65.48 1sf3 s SER 9 CO 0.72 -0.10 1.10 -2.84 0.41 0.00 0.00 173.24 172.52 1sf3 s PRO 10 N -3.78 1.80 0.19 12.44 0.02 -1.26 -4.95 135.00 139.46 1sf3 s PRO 10 Ca 0.34 1.13 -0.02 0.00 0.02 0.00 0.00 61.00 62.46 1sf3 s PRO 10 Cb -0.06 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1sf3 s PRO 10 CO 0.22 -1.95 0.15 -0.59 -0.33 0.00 0.00 177.00 174.51 1sf3 s PHE 11 N -2.87 1.02 0.31 6.54 -0.71 -0.39 -4.92 117.98 116.97 1sf3 s PHE 11 Ca 0.62 -1.28 -0.29 0.00 -1.04 0.00 0.00 56.93 54.94 1sf3 s PHE 11 Cb -0.18 -0.47 -0.10 0.00 -1.21 0.00 0.00 43.02 41.06 1sf3 s PHE 11 CO 0.57 -0.66 1.23 0.00 -1.34 0.00 0.00 175.22 175.02 1sf3 s ALA 12 N -4.13 3.46 0.32 1.99 0.00 -1.26 -0.05 121.76 122.10 1sf3 s ALA 12 Ca 0.35 1.13 0.07 0.00 0.00 0.00 0.00 51.96 53.51 1sf3 s ALA 12 Cb 0.06 -3.43 0.78 0.00 0.00 0.00 0.00 23.12 20.54 1sf3 s ALA 12 CO 0.10 -0.47 1.79 0.00 0.00 0.00 0.00 175.76 177.17 1sf3 h ALA 13 N 3.52 1.74 -0.04 0.00 0.00 -1.26 -0.12 119.26 123.11 1sf3 h ALA 13 Ca -0.48 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1sf3 h ALA 13 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1sf3 h ALA 13 CO 0.66 -0.10 -0.26 0.00 0.00 0.00 0.00 179.25 179.54 1sf3 h ALA 14 N 1.63 1.49 0.00 0.00 0.00 -1.91 -0.40 119.26 120.08 1sf3 h ALA 14 Ca 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1sf3 h ALA 14 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1sf3 h ALA 14 CO -0.35 0.37 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1sf3 n GLU 15 N -4.20 0.09 -1.91 0.00 1.02 -0.06 -4.71 120.64 110.86 1sf3 n GLU 15 Ca -0.02 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.97 1sf3 n GLU 15 Cb 0.33 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1sf3 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sf3 s VAL 16 N -3.11 2.87 0.57 2.62 1.01 -0.16 -4.95 120.40 119.26 1sf3 s VAL 16 Ca 0.07 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 1sf3 s VAL 16 Cb 0.11 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1sf3 s VAL 16 CO 0.38 0.01 1.13 0.00 0.00 0.00 0.00 175.10 176.61 1sf3 s ALA 17 N 2.20 2.63 0.23 5.51 0.00 -1.26 -4.96 121.76 126.11 1sf3 s ALA 17 Ca 0.73 0.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 1sf3 s ALA 17 Cb -0.41 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.21 1sf3 s ALA 17 CO 0.32 -0.91 1.26 -0.25 0.00 0.00 0.00 175.76 176.18 1sf3 n ASP 18 N -1.60 2.08 0.00 0.00 10.43 -1.26 -1.88 116.55 124.32 1sf3 n ASP 18 Ca 0.11 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.62 1sf3 n ASP 18 Cb 0.51 -1.34 0.00 0.00 1.84 0.00 0.00 41.12 42.13 1sf3 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sf3 n GLY 19 N 1.88 1.33 3.52 0.44 0.00 -1.26 -5.03 105.19 106.07 1sf3 n GLY 19 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1sf3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf3 n ALA 20 N 0.63 -1.14 -2.67 4.61 0.00 -0.79 -4.91 120.51 116.23 1sf3 n ALA 20 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1sf3 n ALA 20 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 1sf3 n ALA 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sf3 s ILE 21 N -1.96 4.27 -0.13 0.00 1.01 -1.26 -5.02 121.20 118.11 1sf3 s ILE 21 Ca 0.67 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.53 1sf3 s ILE 21 Cb -0.33 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.48 1sf3 s ILE 21 CO 0.56 -1.28 -0.01 -0.69 0.00 0.00 0.00 174.94 173.52 1sf3 s VAL 22 N 4.26 4.17 -0.28 2.92 1.01 -1.26 -0.56 120.40 130.66 1sf3 s VAL 22 Ca 0.31 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1sf3 s VAL 22 Cb -0.12 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1sf3 s VAL 22 CO 0.18 0.54 0.10 -0.69 0.00 0.00 0.00 175.10 175.22 1sf3 s VAL 23 N -0.16 4.35 0.24 2.92 1.01 -0.02 -4.96 120.40 123.78 1sf3 s VAL 23 Ca 0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1sf3 s VAL 23 Cb -0.13 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 1sf3 s VAL 23 CO 0.02 0.18 0.93 -1.81 0.00 0.00 0.00 175.10 174.43 1sf3 s ASP 24 N 1.59 7.63 -0.33 3.32 1.01 -1.26 -1.19 116.67 127.44 1sf3 s ASP 24 Ca 0.05 1.93 -0.07 0.00 0.71 0.00 0.00 52.55 55.17 1sf3 s ASP 24 Cb -0.16 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.19 1sf3 s ASP 24 CO 0.04 0.16 0.11 -0.63 0.21 0.00 0.00 175.17 175.06 1sf3 s ILE 25 N -1.18 3.91 0.07 0.77 1.01 0.17 -0.68 121.20 125.27 1sf3 s ILE 25 Ca 0.41 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 1sf3 s ILE 25 Cb -0.26 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.11 1sf3 s ILE 25 CO 0.32 -0.11 0.52 0.00 0.00 0.00 0.00 174.94 175.67 1sf3 s ALA 26 N 1.44 -1.34 -1.54 9.38 0.00 -0.85 -0.99 121.76 127.86 1sf3 s ALA 26 Ca -0.00 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 1sf3 s ALA 26 Cb -0.19 0.49 0.11 0.00 0.00 0.00 0.00 23.12 23.54 1sf3 s ALA 26 CO 0.03 -0.56 0.78 1.63 0.00 0.00 0.00 175.76 177.64 1sf3 n LYS 27 N 0.21 -4.04 -3.34 0.00 5.02 -1.26 -1.63 118.16 113.11 1sf3 n LYS 27 Ca -0.18 0.48 -0.24 0.00 -2.02 0.00 0.00 58.31 56.35 1sf3 n LYS 27 Cb 0.61 -5.27 0.03 0.00 -0.02 0.00 0.00 35.03 30.39 1sf3 n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sf3 n MET 28 N -4.32 -5.19 -3.85 1.97 2.81 -1.26 -4.98 117.12 102.30 1sf3 n MET 28 Ca 0.04 0.75 -0.09 0.00 -1.81 0.00 0.00 57.70 56.59 1sf3 n MET 28 Cb 0.51 -5.62 -0.07 0.00 -0.71 0.00 0.00 33.22 27.33 1sf3 n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1sf3 s LYS 29 N -6.03 0.81 -0.35 0.03 -2.85 -0.65 -4.84 119.74 105.87 1sf3 s LYS 29 Ca 0.43 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 54.25 1sf3 s LYS 29 Cb -0.21 0.33 0.02 0.00 -2.06 0.00 0.00 37.83 35.91 1sf3 s LYS 29 CO 0.54 -0.25 1.07 0.71 0.10 0.00 0.00 175.35 177.51 1sf3 s TYR 30 N -3.51 3.10 -0.21 1.78 2.02 -1.26 -2.01 117.35 117.25 1sf3 s TYR 30 Ca 0.02 1.09 0.29 0.00 -0.37 0.00 0.00 57.07 58.10 1sf3 s TYR 30 Cb 0.03 -3.79 1.14 0.00 -0.40 0.00 0.00 41.96 38.94 1sf3 s TYR 30 CO -0.09 -0.84 1.84 0.93 -1.57 0.00 0.00 175.55 175.82 1sf3 h GLU 31 N 8.28 0.00 -3.28 -0.62 5.08 -1.20 -3.17 114.58 119.68 1sf3 h GLU 31 Ca -0.21 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.50 1sf3 h GLU 31 Cb 1.06 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.91 1sf3 h GLU 31 CO 1.04 0.00 -0.51 0.99 -1.00 0.00 0.00 179.01 179.53 1sf3 s THR 32 N -3.47 3.06 -0.65 1.13 2.01 -1.26 -4.97 115.64 111.49 1sf3 s THR 32 Ca 0.03 -3.73 0.24 0.00 0.31 0.00 0.00 61.69 58.55 1sf3 s THR 32 Cb 0.09 -3.03 0.26 0.00 0.01 0.00 0.00 72.50 69.83 1sf3 s THR 32 CO 0.48 -0.93 1.74 -0.81 -0.69 0.00 0.00 174.62 174.42 1sf3 n PRO 33 N 2.60 0.20 -3.71 4.92 -0.04 -1.20 -4.28 135.00 133.50 1sf3 n PRO 33 Ca 0.13 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.59 1sf3 n PRO 33 Cb 0.34 -1.80 -0.15 0.00 -0.04 0.00 0.00 33.50 31.86 1sf3 n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1sf3 s GLU 34 N -3.19 0.65 -0.15 0.54 2.12 -1.26 -0.60 118.70 116.81 1sf3 s GLU 34 Ca 0.08 -0.96 -0.05 0.00 0.36 0.00 0.00 54.97 54.39 1sf3 s GLU 34 Cb 0.11 -1.89 -0.04 0.00 0.26 0.00 0.00 34.13 32.58 1sf3 s GLU 34 CO 0.48 -0.97 0.02 -1.17 -0.54 0.00 0.00 175.26 173.08 1sf3 s LEU 35 N 1.69 3.63 -0.20 2.70 2.96 -0.77 -4.99 118.68 123.69 1sf3 s LEU 35 Ca 0.09 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1sf3 s LEU 35 Cb -0.17 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1sf3 s LEU 35 CO -0.26 0.23 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.97 1sf3 s HIS 36 N -0.01 2.98 0.32 5.38 3.76 -1.26 -0.41 115.29 126.05 1sf3 s HIS 36 Ca 0.04 -0.69 0.03 0.00 -0.15 0.00 0.00 55.06 54.29 1sf3 s HIS 36 Cb -0.13 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1sf3 s HIS 36 CO 0.02 -0.37 0.14 0.14 -0.85 0.00 0.00 174.74 173.81 1sf3 s VAL 37 N 1.13 0.50 0.24 -0.90 -7.23 -0.11 -4.98 120.40 109.05 1sf3 s VAL 37 Ca 0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1sf3 s VAL 37 Cb -0.15 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1sf3 s VAL 37 CO 0.00 0.00 0.18 -1.59 -0.31 0.00 0.00 175.10 173.38 1sf3 s LYS 38 N -3.82 2.88 0.21 4.82 -2.85 -1.26 -0.85 119.74 118.88 1sf3 s LYS 38 Ca 0.33 -1.06 -0.32 0.00 -1.00 0.00 0.00 55.97 53.92 1sf3 s LYS 38 Cb 0.05 -2.54 -0.14 0.00 -2.06 0.00 0.00 37.83 33.14 1sf3 s LYS 38 CO 0.16 0.41 1.34 0.28 0.10 0.00 0.00 175.35 177.64 1sf3 n VAL 39 N -1.07 0.89 -0.16 1.79 0.31 -1.26 -1.67 118.33 117.16 1sf3 n VAL 39 Ca -0.08 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1sf3 n VAL 39 Cb 0.58 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1sf3 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sf3 n GLY 40 N 2.15 1.10 3.78 2.92 0.00 0.99 -5.02 105.19 111.12 1sf3 n GLY 40 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1sf3 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sf3 s ASP 41 N -2.92 6.78 -0.21 1.61 1.01 -0.67 -4.74 116.67 117.54 1sf3 s ASP 41 Ca 0.00 2.05 -0.10 0.00 0.71 0.00 0.00 52.55 55.21 1sf3 s ASP 41 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1sf3 s ASP 41 CO 0.00 -0.48 0.12 -0.89 0.21 0.00 0.00 175.17 174.14 1sf3 s THR 42 N -1.64 5.23 -0.14 -1.27 2.01 -1.26 -1.34 115.64 117.24 1sf3 s THR 42 Ca 0.57 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.64 1sf3 s THR 42 Cb -0.22 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1sf3 s THR 42 CO 0.28 0.41 0.06 -0.69 -0.69 0.00 0.00 174.62 174.00 1sf3 s VAL 43 N 0.61 4.83 -0.14 3.82 1.01 0.28 -4.06 120.40 126.76 1sf3 s VAL 43 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1sf3 s VAL 43 Cb -0.12 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1sf3 s VAL 43 CO 0.01 0.55 -0.14 -0.89 0.00 0.00 0.00 175.10 174.62 1sf3 s THR 44 N -0.38 1.55 0.09 3.92 2.01 0.27 -1.04 115.64 122.05 1sf3 s THR 44 Ca 0.09 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 1sf3 s THR 44 Cb -0.12 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 70.88 1sf3 s THR 44 CO 0.02 0.45 0.57 0.26 -0.69 0.00 0.00 174.62 175.24 1sf3 s TRP 45 N 1.39 3.79 -0.12 4.92 0.51 -0.12 -0.84 118.94 128.46 1sf3 s TRP 45 Ca 0.03 1.26 -0.00 0.00 -2.12 0.00 0.00 56.10 55.27 1sf3 s TRP 45 Cb -0.13 -2.49 0.02 0.00 -0.81 0.00 0.00 33.47 30.06 1sf3 s TRP 45 CO -0.09 0.57 -0.10 0.42 -0.51 0.00 0.00 176.95 177.24 1sf3 s ILE 46 N -1.16 1.21 -0.24 2.03 1.01 -0.34 -1.36 121.20 122.35 1sf3 s ILE 46 Ca 0.30 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 1sf3 s ILE 46 Cb -0.19 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1sf3 s ILE 46 CO 0.19 0.40 0.94 0.21 0.00 0.00 0.00 174.94 176.68 1sf3 s ASN 47 N 1.60 6.96 0.00 3.58 2.47 -0.05 -0.65 114.94 128.85 1sf3 s ASN 47 Ca 0.04 1.19 0.24 0.00 0.42 0.00 0.00 52.86 54.75 1sf3 s ASN 47 Cb -0.13 -2.49 0.33 0.00 -1.45 0.00 0.00 41.25 37.52 1sf3 s ASN 47 CO -0.09 -0.61 1.35 0.54 -3.72 0.00 0.00 177.10 174.57 1sf3 n ARG 48 N 6.21 2.36 -4.26 0.43 5.12 -0.17 0.10 116.66 126.45 1sf3 n ARG 48 Ca 0.09 -2.00 -0.25 0.00 -1.93 0.00 0.00 57.85 53.76 1sf3 n ARG 48 Cb 0.47 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 30.21 1sf3 n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1sf3 s GLU 49 N -1.81 2.31 0.36 5.56 2.02 -1.26 -4.76 118.70 121.13 1sf3 s GLU 49 Ca 0.33 -1.28 0.06 0.00 0.02 0.00 0.00 54.97 54.10 1sf3 s GLU 49 Cb 0.21 -2.24 0.68 0.00 0.10 0.00 0.00 34.13 32.88 1sf3 s GLU 49 CO 0.31 0.41 1.90 0.00 0.02 0.00 0.00 175.26 177.89 1sf3 h ALA 50 N 2.31 1.43 -2.53 5.21 0.00 -1.96 -3.26 119.26 120.47 1sf3 h ALA 50 Ca -0.46 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 53.73 1sf3 h ALA 50 Cb 1.23 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1sf3 h ALA 50 CO 0.58 0.40 0.65 1.41 0.00 0.00 0.00 179.25 182.29 1sf3 s MET 51 N -4.91 4.37 0.66 0.00 0.00 -1.26 -4.62 119.30 113.54 1sf3 s MET 51 Ca -0.07 1.94 -0.16 0.00 0.00 0.00 0.00 55.69 57.41 1sf3 s MET 51 Cb 0.16 -3.29 -0.00 0.00 0.00 0.00 0.00 34.83 31.70 1sf3 s MET 51 CO 0.75 -0.35 1.16 -2.14 0.00 0.00 0.00 175.02 174.44 1sf3 s PRO 52 N 1.02 2.69 0.06 4.11 0.02 -1.26 -4.78 135.00 136.86 1sf3 s PRO 52 Ca 0.62 1.59 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 1sf3 s PRO 52 Cb -0.34 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 1sf3 s PRO 52 CO 0.30 -1.37 0.09 -1.01 -0.33 0.00 0.00 177.00 174.68 1sf3 s HIS 53 N -2.05 0.29 0.13 6.54 3.76 -1.05 -4.94 115.29 117.96 1sf3 s HIS 53 Ca 0.71 -0.72 0.03 0.00 -0.15 0.00 0.00 55.06 54.93 1sf3 s HIS 53 Cb -0.25 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.24 1sf3 s HIS 53 CO 0.40 -0.44 0.10 0.27 -0.85 0.00 0.00 174.74 174.22 1sf3 n ASN 54 N 0.23 -0.07 -4.22 1.40 6.94 -1.26 -0.43 115.26 117.85 1sf3 n ASN 54 Ca -0.16 -1.83 -0.27 0.00 -0.02 0.00 0.00 54.58 52.30 1sf3 n ASN 54 Cb 0.61 0.60 -0.16 0.00 -2.36 0.00 0.00 39.78 38.47 1sf3 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1sf3 s VAL 55 N -2.45 1.66 -0.05 3.53 -7.23 -1.26 -4.40 120.40 110.20 1sf3 s VAL 55 Ca 0.14 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 1sf3 s VAL 55 Cb 0.01 -1.38 0.03 0.00 0.56 0.00 0.00 36.38 35.60 1sf3 s VAL 55 CO 0.10 0.47 0.08 -2.28 -0.31 0.00 0.00 175.10 173.16 1sf3 s HIS 56 N -0.47 0.01 -0.20 2.82 5.04 0.54 -0.42 115.29 122.61 1sf3 s HIS 56 Ca 0.07 0.32 -0.04 0.00 -1.54 0.00 0.00 55.06 53.88 1sf3 s HIS 56 Cb -0.08 -0.41 -0.02 0.00 0.04 0.00 0.00 32.58 32.11 1sf3 s HIS 56 CO -0.01 -0.20 -0.03 -0.06 -2.34 0.00 0.00 174.74 172.11 1sf3 s PHE 57 N 2.07 2.98 0.92 3.88 0.40 0.11 -1.19 117.98 127.15 1sf3 s PHE 57 Ca 0.03 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 1sf3 s PHE 57 Cb -0.12 -2.06 0.14 0.00 0.51 0.00 0.00 43.02 41.49 1sf3 s PHE 57 CO -0.04 -0.33 1.11 0.14 0.70 0.00 0.00 175.22 176.81 1sf3 s VAL 58 N 1.06 2.25 0.37 -0.44 -7.23 -1.26 -0.67 120.40 114.48 1sf3 s VAL 58 Ca 0.01 0.08 -0.27 0.00 -1.81 0.00 0.00 61.98 60.00 1sf3 s VAL 58 Cb -0.15 -2.73 -0.11 0.00 0.56 0.00 0.00 36.38 33.95 1sf3 s VAL 58 CO 0.01 -0.11 1.26 0.00 -0.31 0.00 0.00 175.10 175.95 1sf3 n ALA 59 N -3.84 1.22 -0.09 1.32 0.00 -1.26 -2.25 120.51 115.61 1sf3 n ALA 59 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1sf3 n ALA 59 Cb 0.58 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1sf3 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf3 n GLY 60 N 0.81 1.16 0.05 0.00 0.00 0.42 -4.87 105.19 102.77 1sf3 n GLY 60 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1sf3 n GLY 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sf3 n VAL 61 N -2.00 0.99 1.16 1.61 0.31 -0.95 -4.57 118.33 114.87 1sf3 n VAL 61 Ca 0.00 0.29 0.13 0.00 -0.01 0.00 0.00 64.34 64.75 1sf3 n VAL 61 Cb 0.00 -2.10 0.32 0.00 -0.91 0.00 0.00 33.84 31.14 1sf3 n VAL 61 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sf3 n LEU 62 N -3.87 0.89 0.00 7.52 4.77 -1.26 -4.89 117.00 120.15 1sf3 n LEU 62 Ca -0.06 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1sf3 n LEU 62 Cb 0.24 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1sf3 n LEU 62 CO 0.10 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1sf3 n GLY 63 N 1.39 -1.25 0.09 -0.72 0.00 -1.26 -0.29 105.19 103.15 1sf3 n GLY 63 Ca 0.10 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1sf3 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sf3 h GLU 64 N 0.00 0.18 -6.98 1.61 5.08 -1.95 0.12 114.58 112.63 1sf3 h GLU 64 Ca 0.00 -0.04 -0.49 0.00 -1.00 0.00 0.00 59.36 57.83 1sf3 h GLU 64 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1sf3 h GLU 64 CO 0.00 0.33 0.22 0.00 -1.00 0.00 0.00 179.01 178.56 1sf3 s ALA 65 N -5.35 3.24 0.49 3.43 0.00 -1.26 -2.92 121.76 119.39 1sf3 s ALA 65 Ca -0.14 -0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 1sf3 s ALA 65 Cb 0.06 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 1sf3 s ALA 65 CO 0.69 -0.11 1.28 0.00 0.00 0.00 0.00 175.76 177.62 1sf3 n ALA 66 N -1.43 1.32 -3.52 0.00 0.00 -1.26 -4.31 120.51 111.30 1sf3 n ALA 66 Ca 0.04 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1sf3 n ALA 66 Cb 0.54 -2.29 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 1sf3 n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sf3 s LEU 67 N -2.42 5.53 -0.53 0.00 2.96 0.16 -4.89 118.68 119.50 1sf3 s LEU 67 Ca 0.67 -1.84 -0.14 0.00 -0.22 0.00 0.00 54.13 52.59 1sf3 s LEU 67 Cb -0.46 -1.99 0.13 0.00 0.50 0.00 0.00 46.19 44.37 1sf3 s LEU 67 CO 0.54 -0.65 0.46 -0.75 -1.32 0.00 0.00 176.35 174.63 1sf3 s LYS 68 N 1.35 2.87 0.80 1.98 2.20 -1.26 -0.71 119.74 126.96 1sf3 s LYS 68 Ca 0.05 -1.73 -0.11 0.00 -0.36 0.00 0.00 55.97 53.83 1sf3 s LYS 68 Cb -0.25 -4.21 0.07 0.00 -1.51 0.00 0.00 37.83 31.93 1sf3 s LYS 68 CO -0.01 -1.30 1.09 0.20 -0.36 0.00 0.00 175.35 174.98 1sf3 s GLY 69 N 3.36 1.66 0.59 5.54 0.00 0.44 -4.98 107.32 113.94 1sf3 s GLY 69 Ca 0.04 0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.79 1sf3 s GLY 69 CO 0.02 0.58 1.11 2.56 0.00 0.00 0.00 173.10 177.37 1sf3 s PRO 70 N -4.90 3.17 -0.05 2.90 0.04 -1.26 -4.65 135.00 130.25 1sf3 s PRO 70 Ca 0.62 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1sf3 s PRO 70 Cb -0.17 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1sf3 s PRO 70 CO 0.56 -0.97 1.52 -1.64 0.04 0.00 0.00 177.00 176.52 1sf3 s MET 71 N -3.65 4.22 -0.12 4.56 -1.94 -1.26 -4.52 119.30 116.58 1sf3 s MET 71 Ca 0.69 2.05 -0.24 0.00 -1.71 0.00 0.00 55.69 56.48 1sf3 s MET 71 Cb -0.21 -3.81 -0.03 0.00 2.01 0.00 0.00 34.83 32.79 1sf3 s MET 71 CO 0.33 -0.75 0.77 -1.64 -0.01 0.00 0.00 175.02 173.72 1sf3 s MET 72 N 3.43 4.36 0.99 2.03 -1.94 0.42 -4.84 119.30 123.74 1sf3 s MET 72 Ca 0.68 0.95 -0.16 0.00 -1.71 0.00 0.00 55.69 55.44 1sf3 s MET 72 Cb -0.31 -3.52 0.20 0.00 2.01 0.00 0.00 34.83 33.21 1sf3 s MET 72 CO 0.26 -0.15 1.25 0.15 -0.01 0.00 0.00 175.02 176.53 1sf3 s LYS 73 N 1.52 0.48 0.27 2.03 -0.14 -1.26 -2.52 119.74 120.12 1sf3 s LYS 73 Ca 0.38 -0.24 -0.31 0.00 -1.36 0.00 0.00 55.97 54.45 1sf3 s LYS 73 Cb -0.17 -1.81 -0.12 0.00 -1.68 0.00 0.00 37.83 34.04 1sf3 s LYS 73 CO 0.15 -2.55 1.52 1.17 -0.76 0.00 0.00 175.35 174.89 1sf3 n LYS 74 N -3.90 2.42 -2.46 1.68 4.81 -1.23 -1.62 118.16 117.87 1sf3 n LYS 74 Ca 0.13 0.86 -0.19 0.00 -0.87 0.00 0.00 58.31 58.24 1sf3 n LYS 74 Cb 0.60 -2.60 -0.00 0.00 0.02 0.00 0.00 35.03 33.05 1sf3 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sf3 n GLU 75 N 2.18 -2.03 -4.19 1.64 -0.58 0.12 -5.00 120.64 112.77 1sf3 n GLU 75 Ca 0.10 0.91 -0.22 0.00 -0.42 0.00 0.00 57.16 57.53 1sf3 n GLU 75 Cb 0.34 -5.50 -0.06 0.00 -0.57 0.00 0.00 31.44 25.65 1sf3 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1sf3 s GLN 76 N -5.06 2.59 0.12 3.49 -0.21 -0.64 -0.81 119.66 119.14 1sf3 s GLN 76 Ca 0.05 -1.26 0.03 0.00 0.02 0.00 0.00 55.36 54.20 1sf3 s GLN 76 Cb -0.02 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1sf3 s GLN 76 CO 0.06 0.36 -0.09 0.00 -2.12 0.00 0.00 175.29 173.50 1sf3 s ALA 77 N -2.24 1.24 -0.17 6.09 0.00 0.93 -0.87 121.76 126.74 1sf3 s ALA 77 Ca 0.33 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1sf3 s ALA 77 Cb -0.07 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.19 1sf3 s ALA 77 CO 0.22 -0.15 0.43 -0.47 0.00 0.00 0.00 175.76 175.79 1sf3 s TYR 78 N -3.42 -0.54 0.14 0.00 5.04 -0.47 -1.27 117.35 116.84 1sf3 s TYR 78 Ca 0.14 1.24 0.11 0.00 -2.44 0.00 0.00 57.07 56.12 1sf3 s TYR 78 Cb 0.03 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.52 1sf3 s TYR 78 CO -0.02 -0.28 -0.26 -1.12 -1.34 0.00 0.00 175.55 172.53 1sf3 s SER 79 N 0.74 3.30 -0.02 4.32 0.01 -1.26 -0.95 113.70 119.84 1sf3 s SER 79 Ca -0.04 -0.78 0.02 0.00 1.31 0.00 0.00 55.95 56.46 1sf3 s SER 79 Cb -0.05 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1sf3 s SER 79 CO -0.05 0.16 -0.06 -0.76 0.41 0.00 0.00 173.24 172.93 1sf3 s LEU 80 N -2.21 1.73 -0.32 2.44 1.43 -0.21 -4.15 118.68 117.40 1sf3 s LEU 80 Ca 0.15 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1sf3 s LEU 80 Cb -0.09 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1sf3 s LEU 80 CO 0.07 0.03 0.18 -0.89 0.23 0.00 0.00 176.35 175.97 1sf3 s THR 81 N 0.28 4.88 -0.10 5.49 2.01 -0.03 -0.55 115.64 127.61 1sf3 s THR 81 Ca -0.03 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 1sf3 s THR 81 Cb -0.08 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1sf3 s THR 81 CO 0.00 0.06 0.60 -0.36 -0.69 0.00 0.00 174.62 174.23 1sf3 s PHE 82 N 1.66 3.53 -0.98 4.92 0.40 -0.45 -0.59 117.98 126.47 1sf3 s PHE 82 Ca 0.05 1.07 0.09 0.00 -0.60 0.00 0.00 56.93 57.54 1sf3 s PHE 82 Cb -0.17 -2.70 0.04 0.00 0.51 0.00 0.00 43.02 40.70 1sf3 s PHE 82 CO 0.08 0.09 0.69 0.25 0.70 0.00 0.00 175.22 177.04 1sf3 n THR 83 N 3.83 0.00 -3.77 0.64 -2.24 0.18 -0.01 114.28 112.90 1sf3 n THR 83 Ca -0.04 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 1sf3 n THR 83 Cb 0.51 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.78 1sf3 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sf3 s GLU 84 N -0.99 0.35 0.55 -0.78 2.12 -1.23 -4.77 118.70 113.94 1sf3 s GLU 84 Ca 0.09 0.39 -0.21 0.00 0.36 0.00 0.00 54.97 55.60 1sf3 s GLU 84 Cb 0.07 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 1sf3 s GLU 84 CO 0.16 -0.04 1.27 0.00 -0.54 0.00 0.00 175.26 176.11 1sf3 s ALA 85 N 0.11 2.75 0.00 6.30 0.00 -1.26 -4.85 121.76 124.81 1sf3 s ALA 85 Ca -0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1sf3 s ALA 85 Cb -0.02 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1sf3 s ALA 85 CO 0.00 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1sf3 n GLY 86 N 0.62 -2.58 3.14 0.00 0.00 -0.49 -4.97 105.19 100.93 1sf3 n GLY 86 Ca 0.11 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1sf3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sf3 s THR 87 N -2.22 2.02 -0.33 2.61 2.01 -1.26 -0.32 115.64 118.14 1sf3 s THR 87 Ca 0.00 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.09 1sf3 s THR 87 Cb 0.00 -1.80 0.10 0.00 0.01 0.00 0.00 72.50 70.81 1sf3 s THR 87 CO 0.00 0.54 0.06 -0.31 -0.69 0.00 0.00 174.62 174.22 1sf3 s TYR 88 N 1.03 3.28 0.33 4.92 2.02 0.11 -4.98 117.35 124.06 1sf3 s TYR 88 Ca -0.02 -2.70 -0.26 0.00 -0.37 0.00 0.00 57.07 53.72 1sf3 s TYR 88 Cb -0.14 -2.64 -0.10 0.00 -0.40 0.00 0.00 41.96 38.68 1sf3 s TYR 88 CO -0.06 -0.93 0.98 -0.51 -1.57 0.00 0.00 175.55 173.45 1sf3 s ASP 89 N 1.07 7.23 0.18 2.29 1.11 -1.26 -1.21 116.67 126.07 1sf3 s ASP 89 Ca 0.11 1.91 -0.07 0.00 0.18 0.00 0.00 52.55 54.68 1sf3 s ASP 89 Cb -0.19 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.20 1sf3 s ASP 89 CO -0.12 -0.15 0.26 -0.72 1.18 0.00 0.00 175.17 175.61 1sf3 s TYR 90 N -1.58 0.57 0.28 4.23 1.13 -0.16 -4.54 117.35 117.29 1sf3 s TYR 90 Ca 0.51 -0.92 -0.04 0.00 -1.41 0.00 0.00 57.07 55.21 1sf3 s TYR 90 Cb -0.20 -0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.48 1sf3 s TYR 90 CO 0.26 -0.72 0.37 -3.38 -2.51 0.00 0.00 175.55 169.58 1sf3 s HIS 91 N -4.02 0.93 -0.18 -3.49 -3.43 -0.33 -1.21 115.29 103.57 1sf3 s HIS 91 Ca 0.22 -1.17 -0.18 0.00 -0.80 0.00 0.00 55.06 53.13 1sf3 s HIS 91 Cb 0.04 -0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 30.98 1sf3 s HIS 91 CO 0.03 -0.95 0.50 0.00 -2.00 0.00 0.00 174.74 172.32 1sf3 h THR 93 N 4.99 0.92 -0.02 0.00 2.02 -1.92 -2.03 112.91 116.87 1sf3 h THR 93 Ca -0.36 -0.16 -0.19 0.00 0.77 0.00 0.00 66.41 66.47 1sf3 h THR 93 Cb 1.16 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1sf3 h THR 93 CO 0.74 0.09 -0.81 0.00 0.37 0.00 0.00 175.52 175.91 1sf3 h ALA 94 N 1.30 0.57 -2.26 6.16 0.00 -1.94 -3.38 119.26 119.71 1sf3 h ALA 94 Ca 0.24 -0.67 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 1sf3 h ALA 94 Cb 0.18 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.50 1sf3 h ALA 94 CO -0.19 0.84 -0.82 0.72 0.00 0.00 0.00 179.25 179.81 1sf3 n HIS 95 N -3.74 1.62 0.25 0.00 8.25 -1.01 -4.99 115.22 115.60 1sf3 n HIS 95 Ca -0.04 -3.86 0.03 0.00 -0.26 0.00 0.00 57.72 53.59 1sf3 n HIS 95 Cb 0.76 -0.40 0.15 0.00 1.12 0.00 0.00 29.99 31.62 1sf3 n HIS 95 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1sf3 n PRO 96 N 1.42 0.04 0.30 -0.41 -0.04 -0.80 -1.13 135.00 134.38 1sf3 n PRO 96 Ca 0.25 0.33 0.20 0.00 -0.04 0.00 0.00 63.50 64.24 1sf3 n PRO 96 Cb 0.45 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.33 1sf3 n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1sf3 h PHE 97 N 0.00 0.00 -3.51 0.54 -5.15 -1.94 -3.41 116.94 103.47 1sf3 h PHE 97 Ca 0.00 0.00 -0.59 0.00 -0.20 0.00 0.00 57.97 57.18 1sf3 h PHE 97 Cb 0.09 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 36.17 1sf3 h PHE 97 CO 0.00 0.00 0.67 -1.64 -2.00 0.00 0.00 178.31 175.34 1sf3 s MET 98 N -3.87 3.83 0.03 6.09 -1.94 -0.29 -5.02 119.30 118.13 1sf3 s MET 98 Ca -0.02 0.60 0.05 0.00 -1.71 0.00 0.00 55.69 54.61 1sf3 s MET 98 Cb 0.11 -3.82 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 1sf3 s MET 98 CO 0.48 -1.02 -0.14 1.03 -0.01 0.00 0.00 175.02 175.36 1sf3 s ARG 99 N 3.64 0.98 0.33 2.03 1.81 -1.26 -2.07 118.95 124.42 1sf3 s ARG 99 Ca 0.40 -0.69 -0.08 0.00 -1.72 0.00 0.00 55.73 53.65 1sf3 s ARG 99 Cb -0.11 -0.98 0.01 0.00 -0.45 0.00 0.00 34.95 33.42 1sf3 s ARG 99 CO 0.21 0.25 0.54 0.20 -0.68 0.00 0.00 175.30 175.82 1sf3 s GLY 100 N -0.92 1.04 0.00 -3.53 0.00 -0.35 -4.75 107.32 98.81 1sf3 s GLY 100 Ca 0.03 -1.21 -0.14 0.00 0.00 0.00 0.00 44.72 43.39 1sf3 s GLY 100 CO 0.01 -0.77 0.31 -1.59 0.00 0.00 0.00 173.10 171.05 1sf3 s LYS 101 N -3.11 0.71 -0.22 2.90 -2.85 0.23 -0.98 119.74 116.42 1sf3 s LYS 101 Ca 0.26 -0.29 -0.03 0.00 -1.00 0.00 0.00 55.97 54.90 1sf3 s LYS 101 Cb -0.01 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1sf3 s LYS 101 CO 0.16 -0.21 -0.06 0.08 0.10 0.00 0.00 175.35 175.43 1sf3 s VAL 102 N -1.72 3.22 -0.34 1.79 1.01 -0.35 -1.86 120.40 122.15 1sf3 s VAL 102 Ca -0.11 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1sf3 s VAL 102 Cb -0.04 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1sf3 s VAL 102 CO 0.02 0.40 0.26 -0.69 0.00 0.00 0.00 175.10 175.09 1sf3 s VAL 103 N 1.45 5.27 -0.25 2.92 1.01 0.45 -0.71 120.40 130.52 1sf3 s VAL 103 Ca 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1sf3 s VAL 103 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1sf3 s VAL 103 CO -0.04 -0.02 0.10 -0.69 0.00 0.00 0.00 175.10 174.45 1sf3 s VAL 104 N 1.78 4.61 -0.92 2.92 1.01 0.56 -0.94 120.40 129.43 1sf3 s VAL 104 Ca 0.07 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1sf3 s VAL 104 Cb -0.17 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.10 1sf3 s VAL 104 CO 0.11 0.32 0.73 -0.62 0.00 0.00 0.00 175.10 175.64