#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxk h LEU 2 N 0.00 0.12 -0.69 1.04 5.85 -0.95 0.16 115.31 120.85 1sxk h LEU 2 Ca 0.00 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1sxk h LEU 2 Cb 0.00 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1sxk h LEU 2 CO 0.00 -0.05 0.24 -0.07 -0.34 0.00 0.00 178.44 178.22 1sxk h LEU 3 N 0.31 0.99 -0.53 2.25 3.38 -1.93 -0.71 115.31 119.06 1sxk h LEU 3 Ca 0.50 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 1sxk h LEU 3 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1sxk h LEU 3 CO -0.55 0.91 0.11 -0.33 0.09 0.00 0.00 178.44 178.67 1sxk h GLU 4 N 1.00 0.86 -0.69 1.13 5.08 -1.75 -1.43 114.58 118.78 1sxk h GLU 4 Ca 0.23 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1sxk h GLU 4 Cb 0.26 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1sxk h GLU 4 CO -0.01 0.83 0.39 0.35 -1.00 0.00 0.00 179.01 179.57 1sxk h PHE 5 N 0.75 0.73 -0.60 4.33 3.57 -0.72 -0.21 116.94 124.78 1sxk h PHE 5 Ca 0.16 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1sxk h PHE 5 Cb 0.37 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1sxk h PHE 5 CO 0.03 0.36 0.14 0.78 -2.23 0.00 0.00 178.31 177.38 1sxk h GLY 6 N 0.73 1.02 0.99 2.40 0.00 -0.71 0.79 103.07 108.29 1sxk h GLY 6 Ca 0.30 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1sxk h GLY 6 CO -0.17 0.57 -0.00 1.70 0.00 0.00 0.00 176.54 178.63 1sxk h LYS 7 N 0.90 0.82 -0.70 4.80 3.64 -0.73 -1.56 116.57 123.76 1sxk h LYS 7 Ca 0.19 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1sxk h LYS 7 Cb 0.33 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1sxk h LYS 7 CO 0.00 0.88 0.45 1.98 -2.27 0.00 0.00 179.45 180.49 1sxk h MET 8 N 0.67 0.93 -0.28 1.90 4.05 -0.56 -0.28 114.93 121.36 1sxk h MET 8 Ca 0.13 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1sxk h MET 8 Cb 0.50 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1sxk h MET 8 CO 0.02 0.62 0.18 0.82 0.23 0.00 0.00 176.91 178.79 1sxk h ILE 9 N 0.95 1.09 -0.44 1.77 2.04 -0.66 -1.22 117.51 121.04 1sxk h ILE 9 Ca 0.25 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1sxk h ILE 9 Cb -0.09 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1sxk h ILE 9 CO -0.05 0.09 0.22 0.25 0.00 0.00 0.00 178.15 178.65 1sxk h LEU 10 N 0.37 0.58 -0.71 1.44 5.85 -1.01 0.04 115.31 121.87 1sxk h LEU 10 Ca 0.10 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1sxk h LEU 10 Cb -0.02 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1sxk h LEU 10 CO -0.02 0.54 0.40 -0.33 -0.34 0.00 0.00 178.44 178.69 1sxk h GLU 11 N 0.58 0.71 -0.04 1.25 5.08 -0.85 0.14 114.58 121.44 1sxk h GLU 11 Ca 0.15 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1sxk h GLU 11 Cb 0.11 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1sxk h GLU 11 CO -0.02 0.47 -0.35 1.49 -1.00 0.00 0.00 179.01 179.59 1sxk h GLU 12 N 0.73 0.32 0.00 2.33 4.57 -0.92 -3.40 114.58 118.21 1sxk h GLU 12 Ca 0.32 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1sxk h GLU 12 Cb 0.20 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1sxk h GLU 12 CO -0.19 0.95 -1.59 0.25 -1.18 0.00 0.00 179.01 177.25 1sxk n THR 13 N -4.41 0.00 -0.96 0.32 -2.24 -0.03 -4.88 114.28 102.09 1sxk n THR 13 Ca -0.09 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1sxk n THR 13 Cb 0.53 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1sxk n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxk n GLY 14 N 1.68 0.84 3.88 3.38 0.00 0.49 -5.02 105.19 110.43 1sxk n GLY 14 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1sxk n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxk s LYS 16 N -0.11 3.40 0.15 1.61 1.02 -1.26 -5.02 119.74 119.52 1sxk s LYS 16 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1sxk s LYS 16 Cb 0.00 -3.11 -0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1sxk s LYS 16 CO 0.00 0.72 1.25 -0.51 -0.92 0.00 0.00 175.35 175.89 1sxk s LEU 17 N -1.51 4.41 0.19 3.17 1.43 -1.26 -3.54 118.68 121.56 1sxk s LEU 17 Ca 0.21 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 1sxk s LEU 17 Cb -0.12 -3.60 0.19 0.00 0.03 0.00 0.00 46.19 42.69 1sxk s LEU 17 CO 0.12 -0.47 1.77 0.00 0.23 0.00 0.00 176.35 177.99 1sxk h ALA 18 N 5.83 0.69 -2.92 4.21 0.00 -1.93 -1.08 119.26 124.07 1sxk h ALA 18 Ca -0.44 0.05 -0.65 0.00 0.00 0.00 0.00 54.91 53.87 1sxk h ALA 18 Cb 1.21 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 1sxk h ALA 18 CO 0.78 -0.13 -0.58 0.42 0.00 0.00 0.00 179.25 179.74 1sxk s ILE 19 N -6.12 4.63 -2.42 0.00 1.01 -1.26 -0.40 121.20 116.64 1sxk s ILE 19 Ca -0.13 -0.16 0.22 0.00 0.00 0.00 0.00 60.65 60.58 1sxk s ILE 19 Cb 0.15 -3.23 0.35 0.00 0.01 0.00 0.00 42.46 39.74 1sxk s ILE 19 CO 0.74 0.24 1.33 -0.81 0.00 0.00 0.00 174.94 176.44 1sxk n PRO 20 N 4.97 2.36 0.17 2.79 -0.04 -1.23 -4.98 135.00 139.03 1sxk n PRO 20 Ca -0.15 -2.14 0.02 0.00 -0.04 0.00 0.00 63.50 61.19 1sxk n PRO 20 Cb 0.51 -1.47 0.29 0.00 -0.04 0.00 0.00 33.50 32.79 1sxk n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1sxk h SER 21 N 4.25 0.00 0.00 3.54 0.02 -1.02 -3.33 113.55 117.01 1sxk h SER 21 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sxk h SER 21 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1sxk h SER 21 CO 0.00 0.46 0.00 -1.22 -1.14 0.00 0.00 176.83 174.93 1sxk n TYR 22 N -3.88 0.00 0.57 3.45 4.01 0.46 -4.67 117.16 117.10 1sxk n TYR 22 Ca -0.01 -0.24 0.12 0.00 -0.16 0.00 0.00 57.90 57.61 1sxk n TYR 22 Cb 0.50 -0.02 0.13 0.00 -0.31 0.00 0.00 39.34 39.63 1sxk n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1sxk n SER 23 N -0.24 0.67 -1.62 7.72 3.41 -0.69 -3.48 113.62 119.40 1sxk n SER 23 Ca 0.00 0.03 -0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1sxk n SER 23 Cb 0.36 0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.66 1sxk n SER 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sxk n SER 24 N -2.07 0.31 -4.70 4.04 3.41 -1.17 -4.00 113.62 109.44 1sxk n SER 24 Ca 0.03 -2.02 -0.38 0.00 -0.26 0.00 0.00 58.87 56.24 1sxk n SER 24 Cb 0.44 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 1sxk n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sxk s TYR 25 N -0.49 3.44 0.00 7.33 6.14 -1.07 -1.11 117.35 131.59 1sxk s TYR 25 Ca 0.21 0.73 0.00 0.00 0.64 0.00 0.00 57.07 58.65 1sxk s TYR 25 Cb 0.27 -2.51 0.00 0.00 0.42 0.00 0.00 41.96 40.14 1sxk s TYR 25 CO -0.10 0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.59 1sxk n GLY 26 N 3.58 1.61 0.07 8.97 0.00 0.16 -1.93 105.19 117.66 1sxk n GLY 26 Ca -0.08 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1sxk n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxk n TYR 28 N -2.45 0.00 -2.91 0.00 4.02 -1.25 -3.97 117.16 110.60 1sxk n TYR 28 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 1sxk n TYR 28 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.81 1sxk n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sxk n GLY 30 N 3.96 2.74 0.59 0.00 0.00 -1.23 -2.60 105.19 108.65 1sxk n GLY 30 Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 1sxk n GLY 30 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1sxk n TRP 31 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.93 117.44 112.86 1sxk n TRP 31 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 1sxk n TRP 31 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 31.31 31.38 1sxk n TRP 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sxk n GLY 32 N 0.03 0.00 0.00 5.87 0.00 -1.14 -4.97 105.19 104.99 1sxk n GLY 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sxk n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxk n GLY 33 N 0.00 2.41 3.30 -0.02 0.00 -1.25 -4.87 105.19 104.76 1sxk n GLY 33 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1sxk n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxk s LYS 34 N 0.00 1.16 0.00 1.61 -2.85 -1.26 -4.85 119.74 113.55 1sxk s LYS 34 Ca 0.00 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.64 1sxk s LYS 34 Cb 0.00 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1sxk s LYS 34 CO 0.00 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.45 1sxk n GLY 35 N -0.22 1.26 3.67 0.59 0.00 0.19 -4.47 105.19 106.22 1sxk n GLY 35 Ca -0.04 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1sxk n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxk s THR 36 N -2.44 4.85 0.37 2.61 2.01 -1.25 -4.66 115.64 117.12 1sxk s THR 36 Ca 0.00 1.76 -0.26 0.00 0.31 0.00 0.00 61.69 63.50 1sxk s THR 36 Cb 0.00 -4.19 -0.12 0.00 0.01 0.00 0.00 72.50 68.20 1sxk s THR 36 CO 0.00 0.01 1.03 -2.65 -0.69 0.00 0.00 174.62 172.32 1sxk n PRO 37 N 5.21 1.43 0.13 4.92 -0.02 -1.26 -4.86 135.00 140.55 1sxk n PRO 37 Ca 0.06 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 1sxk n PRO 37 Cb 0.49 -2.00 0.13 0.00 -0.02 0.00 0.00 33.50 32.10 1sxk n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sxk h LYS 38 N 1.79 0.00 0.00 -0.52 1.79 -1.95 -3.47 116.57 114.21 1sxk h LYS 38 Ca -0.43 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.08 1sxk h LYS 38 Cb 1.33 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.98 1sxk h LYS 38 CO 0.59 0.64 0.18 -0.40 -1.08 0.00 0.00 179.45 179.37 1sxk n ASP 39 N -3.59 -0.69 -0.27 0.86 5.75 -1.26 -5.01 116.55 112.33 1sxk n ASP 39 Ca -0.00 -1.41 -0.06 0.00 -0.01 0.00 0.00 54.79 53.30 1sxk n ASP 39 Cb 0.68 1.14 0.06 0.00 -1.03 0.00 0.00 41.12 41.96 1sxk n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sxk h ALA 40 N 2.00 0.99 -0.42 2.12 0.00 -1.92 -0.78 119.26 121.24 1sxk h ALA 40 Ca -0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1sxk h ALA 40 Cb 0.44 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1sxk h ALA 40 CO 0.14 0.65 0.23 1.15 0.00 0.00 0.00 179.25 181.42 1sxk h THR 41 N 1.11 1.01 -0.52 0.00 2.02 -1.91 -0.64 112.91 113.98 1sxk h THR 41 Ca 0.25 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1sxk h THR 41 Cb 0.28 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1sxk h THR 41 CO -0.01 0.09 0.20 -0.78 0.37 0.00 0.00 175.52 175.38 1sxk h ASP 42 N 0.47 0.68 -0.05 4.18 3.58 -1.81 -1.37 116.42 122.10 1sxk h ASP 42 Ca 0.17 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1sxk h ASP 42 Cb 0.04 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1sxk h ASP 42 CO -0.10 0.63 -0.12 0.03 -2.88 0.00 0.00 179.24 176.80 1sxk h ARG 43 N 0.74 0.35 -0.62 0.28 3.08 -0.37 0.56 114.38 118.41 1sxk h ARG 43 Ca 0.18 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1sxk h ARG 43 Cb 0.16 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 1sxk h ARG 43 CO -0.02 0.48 0.30 0.00 -1.07 0.00 0.00 179.97 179.66 1sxk h PHE 46 N 0.63 -0.24 -0.66 0.00 3.57 -0.46 0.89 116.94 120.67 1sxk h PHE 46 Ca 0.06 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1sxk h PHE 46 Cb 0.91 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1sxk h PHE 46 CO 0.05 -0.15 0.16 0.28 -2.23 0.00 0.00 178.31 176.42 1sxk h VAL 47 N -0.15 1.25 -0.70 1.41 2.07 -1.04 -1.13 116.25 117.96 1sxk h VAL 47 Ca 0.05 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1sxk h VAL 47 Cb 0.22 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1sxk h VAL 47 CO -0.12 0.35 0.36 -0.74 0.02 0.00 0.00 177.57 177.44 1sxk h HIS 48 N 0.99 0.99 -0.48 1.57 -0.00 -0.77 0.30 115.15 117.75 1sxk h HIS 48 Ca 0.21 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1sxk h HIS 48 Cb 0.35 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1sxk h HIS 48 CO 0.03 0.73 0.25 -0.44 -0.00 0.00 0.00 177.93 178.49 1sxk h ASP 49 N 0.97 0.61 -0.95 3.26 3.32 -0.42 -0.67 116.42 122.55 1sxk h ASP 49 Ca 0.24 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1sxk h ASP 49 Cb 0.09 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1sxk h ASP 49 CO -0.03 0.54 0.61 0.00 -1.72 0.00 0.00 179.24 178.64 1sxk h TYR 52 N 0.30 0.61 0.00 0.00 -1.99 -0.91 -2.15 116.97 112.84 1sxk h TYR 52 Ca 0.09 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1sxk h TYR 52 Cb 0.05 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.60 1sxk h TYR 52 CO -0.04 0.55 -0.10 0.78 -0.00 0.00 0.00 178.16 179.35 1sxk h GLY 53 N 0.83 0.00 2.00 3.88 0.00 0.29 -0.17 103.07 109.90 1sxk h GLY 53 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1sxk h GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1sxk n ASN 54 N -3.49 0.10 -3.04 0.19 3.02 -0.24 -4.07 115.26 107.73 1sxk n ASN 54 Ca -0.02 0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 54.81 1sxk n ASN 54 Cb 0.24 -0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1sxk n ASN 54 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sxk n LEU 55 N -1.62 3.75 0.31 3.41 4.77 -0.08 -4.92 117.00 122.63 1sxk n LEU 55 Ca 0.03 -5.53 0.18 0.00 -0.03 0.00 0.00 56.01 50.66 1sxk n LEU 55 Cb 0.17 -0.35 0.98 0.00 -2.33 0.00 0.00 43.42 41.89 1sxk n LEU 55 CO 0.13 2.31 1.11 1.55 -1.33 0.00 0.00 177.39 181.16 1sxk h PRO 56 N 3.15 0.00 -0.33 3.23 0.13 -1.74 -0.69 132.00 135.74 1sxk h PRO 56 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1sxk h PRO 56 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1sxk h PRO 56 CO 0.76 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.31 1sxk n ASP 59 N -3.41 4.22 -4.76 1.44 10.43 -1.26 -4.94 116.55 118.28 1sxk n ASP 59 Ca -0.02 -3.03 -0.24 0.00 2.57 0.00 0.00 54.79 54.07 1sxk n ASP 59 Cb 0.13 -0.58 -0.06 0.00 1.84 0.00 0.00 41.12 42.45 1sxk n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sxk n ASN 67 N -1.26 1.18 0.30 0.00 3.02 -1.26 -4.98 115.26 112.25 1sxk n ASN 67 Ca -0.01 -2.82 0.18 0.00 -0.03 0.00 0.00 54.58 51.91 1sxk n ASN 67 Cb 0.63 -0.64 0.90 0.00 -0.61 0.00 0.00 39.78 40.07 1sxk n ASN 67 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1sxk h PRO 68 N 4.94 0.00 -0.50 3.52 0.13 -1.92 -0.33 132.00 137.84 1sxk h PRO 68 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.23 1sxk h PRO 68 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1sxk h PRO 68 CO 0.55 0.03 -0.03 0.87 -0.23 0.00 0.00 178.00 179.19 1sxk h LYS 69 N 0.00 0.87 0.00 0.86 1.57 -1.93 -3.17 116.57 114.76 1sxk h LYS 69 Ca -0.00 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1sxk h LYS 69 Cb 0.27 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sxk h LYS 69 CO 0.00 0.88 -1.39 -1.13 -0.57 0.00 0.00 179.45 177.24 1sxk n SER 70 N -4.19 3.49 -4.70 0.86 3.41 -0.98 -0.83 113.62 110.69 1sxk n SER 70 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 1sxk n SER 70 Cb 0.33 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 1sxk n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sxk s ASP 71 N -3.54 6.91 -0.00 4.04 -1.08 -0.17 -4.63 116.67 118.20 1sxk s ASP 71 Ca -0.03 2.11 -0.14 0.00 -0.52 0.00 0.00 52.55 53.98 1sxk s ASP 71 Cb 0.02 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.86 1sxk s ASP 71 CO 0.26 -0.64 0.39 -0.13 0.52 0.00 0.00 175.17 175.57 1sxk s ARG 72 N 1.81 3.88 0.34 4.34 0.52 -1.26 0.27 118.95 128.85 1sxk s ARG 72 Ca 0.62 0.37 0.07 0.00 -0.52 0.00 0.00 55.73 56.27 1sxk s ARG 72 Cb -0.32 -3.20 -0.07 0.00 0.52 0.00 0.00 34.95 31.89 1sxk s ARG 72 CO 0.27 0.69 -0.02 1.52 0.02 0.00 0.00 175.30 177.78 1sxk s TYR 73 N -1.10 2.19 0.03 -0.53 -0.85 -1.26 -4.88 117.35 110.95 1sxk s TYR 73 Ca 0.24 -0.71 0.06 0.00 -0.52 0.00 0.00 57.07 56.14 1sxk s TYR 73 Cb -0.16 -1.37 -0.03 0.00 0.38 0.00 0.00 41.96 40.77 1sxk s TYR 73 CO 0.13 0.32 -0.15 0.15 -1.52 0.00 0.00 175.55 174.49 1sxk s LYS 74 N -3.74 2.19 0.10 -3.49 -0.14 -1.26 -4.93 119.74 108.47 1sxk s LYS 74 Ca 0.33 -0.92 -0.09 0.00 -1.36 0.00 0.00 55.97 53.93 1sxk s LYS 74 Cb 0.06 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 1sxk s LYS 74 CO 0.15 0.55 0.22 1.52 -0.76 0.00 0.00 175.35 177.03 1sxk s TYR 75 N -0.95 0.14 0.36 3.18 -0.85 -1.26 -1.02 117.35 116.95 1sxk s TYR 75 Ca 0.15 -0.56 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 1sxk s TYR 75 Cb -0.11 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.17 1sxk s TYR 75 CO 0.06 -0.57 0.15 -1.59 -1.52 0.00 0.00 175.55 172.08 1sxk s LYS 76 N -3.87 1.79 -0.10 -3.49 -2.85 -0.35 -4.92 119.74 105.96 1sxk s LYS 76 Ca 0.06 -2.06 0.01 0.00 -1.00 0.00 0.00 55.97 52.97 1sxk s LYS 76 Cb 0.04 -0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 35.43 1sxk s LYS 76 CO -0.10 -0.47 -0.12 1.03 0.10 0.00 0.00 175.35 175.79 1sxk s ARG 77 N -3.72 3.07 -0.23 1.78 1.81 -1.26 -0.68 118.95 119.72 1sxk s ARG 77 Ca 0.30 -0.66 0.01 0.00 -1.72 0.00 0.00 55.73 53.67 1sxk s ARG 77 Cb 0.04 -2.58 0.06 0.00 -0.45 0.00 0.00 34.95 32.01 1sxk s ARG 77 CO 0.17 0.39 -0.08 0.08 -0.68 0.00 0.00 175.30 175.19 1sxk s VAL 78 N -0.11 1.72 0.00 3.52 1.01 0.26 -4.91 120.40 121.89 1sxk s VAL 78 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1sxk s VAL 78 Cb -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1sxk s VAL 78 CO 0.03 -0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.70 1sxk n ASN 79 N 4.61 0.00 -0.93 3.32 3.02 -1.26 -1.29 115.26 122.73 1sxk n ASN 79 Ca -0.13 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1sxk n ASN 79 Cb 0.44 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.70 1sxk n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxk n GLY 80 N 0.00 0.93 3.74 7.41 0.00 -1.26 -5.00 105.19 111.01 1sxk n GLY 80 Ca 0.00 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1sxk n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxk s ALA 81 N -2.00 3.32 0.03 4.61 0.00 -0.41 -4.99 121.76 122.31 1sxk s ALA 81 Ca 0.27 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1sxk s ALA 81 Cb 0.20 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1sxk s ALA 81 CO 0.31 0.06 1.07 0.42 0.00 0.00 0.00 175.76 177.62 1sxk s ILE 82 N -0.23 4.51 -0.21 0.00 1.01 -1.26 -0.57 121.20 124.44 1sxk s ILE 82 Ca 0.42 1.81 0.01 0.00 0.00 0.00 0.00 60.65 62.89 1sxk s ILE 82 Cb -0.22 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.14 1sxk s ILE 82 CO 0.27 0.15 -0.08 -0.69 0.00 0.00 0.00 174.94 174.59 1sxk s VAL 83 N 1.00 1.58 0.06 2.92 1.01 0.15 -4.93 120.40 122.19 1sxk s VAL 83 Ca 0.55 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1sxk s VAL 83 Cb -0.25 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 1sxk s VAL 83 CO 0.29 0.06 1.31 0.00 0.00 0.00 0.00 175.10 176.75 1sxk s GLU 85 N 1.39 3.65 -0.10 0.00 2.02 -0.19 -4.96 118.70 120.51 1sxk s GLU 85 Ca 0.62 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.45 1sxk s GLU 85 Cb -0.32 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 1sxk s GLU 85 CO 0.29 0.07 1.28 0.21 0.02 0.00 0.00 175.26 177.13 1sxk s LYS 86 N -3.88 4.28 0.00 1.61 2.20 -1.26 -4.61 119.74 118.07 1sxk s LYS 86 Ca 0.46 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1sxk s LYS 86 Cb -0.10 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1sxk s LYS 86 CO 0.33 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1sxk n GLY 88 N 3.56 5.26 3.74 5.54 0.00 -1.26 -4.98 105.19 117.04 1sxk n GLY 88 Ca 0.13 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1sxk n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sxk s THR 89 N 3.20 2.49 0.21 2.61 -4.23 -1.26 -4.79 115.64 113.88 1sxk s THR 89 Ca 0.00 0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 60.57 1sxk s THR 89 Cb 0.00 -2.76 0.16 0.00 1.34 0.00 0.00 72.50 71.24 1sxk s THR 89 CO 0.00 -0.21 1.87 0.77 -0.54 0.00 0.00 174.62 176.51 1sxk h SER 90 N -1.51 0.83 -0.44 3.99 4.64 -2.00 -0.84 113.55 118.22 1sxk h SER 90 Ca -0.50 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 60.82 1sxk h SER 90 Cb 1.30 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1sxk h SER 90 CO 0.58 0.59 0.26 0.00 -0.87 0.00 0.00 176.83 177.39 1sxk h GLU 92 N 0.53 0.96 -0.39 0.00 5.08 -1.74 0.99 114.58 120.02 1sxk h GLU 92 Ca 0.17 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1sxk h GLU 92 Cb -0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1sxk h GLU 92 CO -0.07 0.68 0.23 -0.91 -1.00 0.00 0.00 179.01 177.94 1sxk h ASN 93 N 0.97 0.47 -0.37 1.42 2.35 -0.89 -0.30 115.58 119.23 1sxk h ASN 93 Ca 0.26 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 1sxk h ASN 93 Cb -0.04 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1sxk h ASN 93 CO -0.05 0.39 -0.40 0.03 -1.65 0.00 0.00 177.43 175.75 1sxk h ARG 94 N 0.51 0.93 -0.38 0.81 3.08 -0.93 -1.75 114.38 116.65 1sxk h ARG 94 Ca 0.14 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1sxk h ARG 94 Cb 0.01 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1sxk h ARG 94 CO -0.03 1.15 0.20 0.82 -1.07 0.00 0.00 179.97 181.05 1sxk h ILE 95 N 0.76 1.15 -0.72 2.04 2.04 -0.69 -2.00 117.51 120.09 1sxk h ILE 95 Ca 0.06 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1sxk h ILE 95 Cb 1.00 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1sxk h ILE 95 CO 0.10 0.16 0.45 0.00 0.00 0.00 0.00 178.15 178.86 1sxk h GLU 97 N 0.87 0.88 -0.33 0.00 4.39 -1.08 0.12 114.58 119.44 1sxk h GLU 97 Ca 0.29 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1sxk h GLU 97 Cb 0.03 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1sxk h GLU 97 CO -0.11 0.79 0.16 0.00 -1.16 0.00 0.00 179.01 178.69 1sxk h ASP 99 N 0.40 0.55 -0.42 0.00 5.19 -0.73 -2.13 116.42 119.27 1sxk h ASP 99 Ca 0.11 -0.36 0.07 0.00 -0.62 0.00 0.00 57.03 56.24 1sxk h ASP 99 Cb 0.10 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.40 1sxk h ASP 99 CO -0.02 0.78 0.05 0.50 -3.12 0.00 0.00 179.24 177.43 1sxk h LYS 100 N 0.31 0.16 -0.49 3.56 3.64 -0.79 -0.10 116.57 122.87 1sxk h LYS 100 Ca 0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1sxk h LYS 100 Cb 0.54 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1sxk h LYS 100 CO 0.03 0.11 0.29 0.00 -2.27 0.00 0.00 179.45 177.60 1sxk h ALA 101 N 1.34 0.62 -0.64 5.00 0.00 -1.27 -1.24 119.26 123.08 1sxk h ALA 101 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1sxk h ALA 101 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1sxk h ALA 101 CO -0.30 0.12 0.15 0.00 0.00 0.00 0.00 179.25 179.22 1sxk h ALA 102 N 1.13 0.84 -0.46 0.00 0.00 -0.87 0.99 119.26 120.89 1sxk h ALA 102 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1sxk h ALA 102 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1sxk h ALA 102 CO -0.03 0.55 0.11 0.00 0.00 0.00 0.00 179.25 179.89 1sxk h ALA 103 N 1.05 0.61 -0.59 0.00 0.00 -0.74 0.12 119.26 119.71 1sxk h ALA 103 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sxk h ALA 103 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1sxk h ALA 103 CO 0.00 0.29 0.35 0.82 0.00 0.00 0.00 179.25 180.72 1sxk h ILE 104 N 0.62 1.18 -0.73 0.00 2.04 -1.07 -1.72 117.51 117.83 1sxk h ILE 104 Ca 0.15 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1sxk h ILE 104 Cb 0.32 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1sxk h ILE 104 CO 0.00 0.18 0.45 0.00 0.00 0.00 0.00 178.15 178.78 1sxk h PHE 106 N 0.99 0.81 -0.63 0.00 0.04 -0.50 -1.98 116.94 115.67 1sxk h PHE 106 Ca 0.26 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 1sxk h PHE 106 Cb -0.06 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 1sxk h PHE 106 CO -0.01 0.59 0.38 -0.09 -0.60 0.00 0.00 178.31 178.58 1sxk h ARG 107 N 0.79 0.86 0.00 1.51 9.65 -0.73 -1.56 114.38 124.90 1sxk h ARG 107 Ca 0.21 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1sxk h ARG 107 Cb 0.05 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1sxk h ARG 107 CO -0.03 0.61 -0.02 0.37 2.80 0.00 0.00 179.97 183.70 1sxk h GLN 108 N 0.86 0.00 -0.06 0.20 4.15 -0.47 -3.08 115.11 116.71 1sxk h GLN 108 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1sxk h GLN 108 Cb -0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1sxk h GLN 108 CO -0.04 0.02 0.00 0.09 -1.93 0.00 0.00 178.83 176.97 1sxk n ASN 109 N -3.16 2.41 0.09 -0.69 3.02 -0.78 -4.64 115.26 111.52 1sxk n ASN 109 Ca -0.01 -2.50 0.10 0.00 -0.03 0.00 0.00 54.58 52.14 1sxk n ASN 109 Cb 0.22 -0.23 0.57 0.00 -0.61 0.00 0.00 39.78 39.73 1sxk n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sxk h LEU 110 N 0.39 0.18 -2.49 3.41 3.38 -1.21 -1.78 115.31 117.19 1sxk h LEU 110 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sxk h LEU 110 Cb 0.80 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1sxk h LEU 110 CO 0.02 0.12 -0.02 -0.55 0.09 0.00 0.00 178.44 178.10 1sxk h ASN 111 N 0.21 0.00 -0.07 -0.43 -0.00 -1.83 -2.41 115.58 111.05 1sxk h ASN 111 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1sxk h ASN 111 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.57 1sxk h ASN 111 CO -0.02 0.02 0.00 0.35 -0.00 0.00 0.00 177.43 177.78 1sxk n THR 112 N -3.32 0.46 -1.65 6.14 -2.24 -0.70 -5.02 114.28 107.96 1sxk n THR 112 Ca -0.02 -0.73 -0.46 0.00 -2.27 0.00 0.00 64.05 60.57 1sxk n THR 112 Cb 0.14 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1sxk n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sxk n TYR 113 N 0.09 1.92 -3.98 4.78 4.19 -0.91 -4.93 117.16 118.31 1sxk n TYR 113 Ca 0.04 0.51 -0.26 0.00 3.31 0.00 0.00 57.90 61.49 1sxk n TYR 113 Cb 0.21 -2.41 -0.17 0.00 0.49 0.00 0.00 39.34 37.46 1sxk n TYR 113 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1sxk s SER 114 N 0.18 2.09 0.62 2.98 0.15 -1.26 -5.01 113.70 113.44 1sxk s SER 114 Ca 0.69 -0.29 0.32 0.00 0.70 0.00 0.00 55.95 57.37 1sxk s SER 114 Cb -0.70 -0.82 1.85 0.00 -1.71 0.00 0.00 66.02 64.64 1sxk s SER 114 CO 0.51 -0.10 2.16 0.11 1.20 0.00 0.00 173.24 177.12 1sxk h LYS 115 N 8.02 0.00 0.00 5.44 1.57 -1.99 -1.69 116.57 127.92 1sxk h LYS 115 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1sxk h LYS 115 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1sxk h LYS 115 CO 0.41 0.00 0.00 1.57 -0.57 0.00 0.00 179.45 180.86 1sxk h LYS 116 N 0.00 0.00 -0.01 3.15 2.10 -2.01 -1.58 116.57 118.21 1sxk h LYS 116 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1sxk h LYS 116 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1sxk h LYS 116 CO -0.00 0.00 -0.23 0.66 -2.00 0.00 0.00 179.45 177.88 1sxk n TYR 117 N -2.67 0.00 -2.22 0.07 4.01 -0.64 -4.80 117.16 110.92 1sxk n TYR 117 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1sxk n TYR 117 Cb 0.10 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 1sxk n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1sxk s MET 118 N -2.38 4.43 -1.51 -0.72 -1.94 -0.60 -0.67 119.30 115.92 1sxk s MET 118 Ca 0.26 2.09 -0.05 0.00 -1.71 0.00 0.00 55.69 56.28 1sxk s MET 118 Cb 0.19 -3.10 0.02 0.00 2.01 0.00 0.00 34.83 33.95 1sxk s MET 118 CO 0.48 -0.07 0.58 1.28 -0.01 0.00 0.00 175.02 177.28 1sxk n LEU 119 N 0.90 -2.47 -4.72 -0.03 4.77 -0.27 -4.90 117.00 110.29 1sxk n LEU 119 Ca -0.00 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1sxk n LEU 119 Cb 0.43 -2.83 -0.03 0.00 -2.33 0.00 0.00 43.42 38.66 1sxk n LEU 119 CO 0.58 0.21 1.23 -0.47 -1.33 0.00 0.00 177.39 177.61 1sxk s TYR 120 N -3.13 3.03 0.27 -1.77 5.04 -1.12 -4.92 117.35 114.76 1sxk s TYR 120 Ca 0.31 0.62 -0.29 0.00 -2.44 0.00 0.00 57.07 55.27 1sxk s TYR 120 Cb -0.14 -3.92 -0.10 0.00 0.35 0.00 0.00 41.96 38.15 1sxk s TYR 120 CO 0.39 -3.41 1.23 -1.25 -1.34 0.00 0.00 175.55 171.17 1sxk s PRO 121 N 1.22 4.47 0.29 4.97 0.04 -1.26 -4.85 135.00 139.88 1sxk s PRO 121 Ca 0.70 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.79 1sxk s PRO 121 Cb -0.43 -3.15 0.65 0.00 0.04 0.00 0.00 34.50 31.60 1sxk s PRO 121 CO 0.31 -0.07 1.78 0.22 0.04 0.00 0.00 177.00 179.28 1sxk h ASP 122 N 4.12 0.71 0.62 6.66 1.82 -1.94 -2.53 116.42 125.88 1sxk h ASP 122 Ca -0.47 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1sxk h ASP 122 Cb 1.22 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1sxk h ASP 122 CO 0.69 0.28 0.00 2.22 -1.61 0.00 0.00 179.24 180.82 1sxk n PHE 124 N -4.79 0.31 1.60 0.28 -1.74 -1.26 -0.55 117.46 111.31 1sxk n PHE 124 Ca 0.21 0.12 0.10 0.00 -0.56 0.00 0.00 57.45 57.32 1sxk n PHE 124 Cb 0.50 -0.69 0.47 0.00 1.52 0.00 0.00 39.48 41.28 1sxk n PHE 124 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1sxk n LEU 125 N -1.78 0.87 -4.08 5.98 4.77 -0.95 -4.58 117.00 117.23 1sxk n LEU 125 Ca 0.03 -0.36 -0.35 0.00 -0.03 0.00 0.00 56.01 55.31 1sxk n LEU 125 Cb 0.20 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1sxk n LEU 125 CO 0.16 0.18 -0.13 0.00 -1.33 0.00 0.00 177.39 176.28 1sxk s LYS 127 N 0.56 1.19 0.00 0.00 1.02 -1.26 -4.14 119.74 117.10 1sxk s LYS 127 Ca 0.12 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1sxk s LYS 127 Cb -0.22 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.83 1sxk s LYS 127 CO -0.04 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 1sxk n GLY 128 N 1.88 1.66 3.83 -3.33 0.00 -1.26 -3.02 105.19 104.94 1sxk n GLY 128 Ca -0.17 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 1sxk n GLY 128 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sxk s GLU 129 N -4.04 4.04 -0.15 1.61 -6.30 -1.26 0.57 118.70 113.17 1sxk s GLU 129 Ca 0.00 0.55 0.00 0.00 -2.50 0.00 0.00 54.97 53.02 1sxk s GLU 129 Cb 0.00 -3.20 0.03 0.00 0.00 0.00 0.00 34.13 30.96 1sxk s GLU 129 CO 0.00 0.65 -0.10 -1.17 0.02 0.00 0.00 175.26 174.66 1sxk s LEU 130 N -1.18 1.67 0.26 2.70 0.20 -1.26 -4.92 118.68 116.15 1sxk s LEU 130 Ca 0.27 -0.56 -0.30 0.00 0.69 0.00 0.00 54.13 54.24 1sxk s LEU 130 Cb -0.18 -1.06 -0.09 0.00 -0.43 0.00 0.00 46.19 44.43 1sxk s LEU 130 CO 0.16 -0.11 1.12 -0.54 -0.29 0.00 0.00 176.35 176.69 1sxk s LYS 131 N 1.55 4.60 0.00 1.98 1.02 -1.26 -5.07 119.74 122.56 1sxk s LYS 131 Ca 0.03 1.83 0.11 0.00 0.02 0.00 0.00 55.97 57.96 1sxk s LYS 131 Cb -0.14 -3.20 0.65 0.00 -0.52 0.00 0.00 37.83 34.62 1sxk s LYS 131 CO -0.09 0.14 1.09 0.00 -0.92 0.00 0.00 175.35 175.57