#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sed h ASP 5 N 0.00 1.11 0.13 6.12 3.58 -2.05 -2.43 116.42 122.86 1sed h ASP 5 Ca 0.00 -0.18 -0.12 0.00 0.42 0.00 0.00 57.03 57.15 1sed h ASP 5 Cb 0.00 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 1sed h ASP 5 CO 0.00 0.99 -0.41 0.45 -2.88 0.00 0.00 179.24 177.39 1sed h HIS 6 N 1.16 0.44 -0.47 0.28 3.86 -2.05 -1.23 115.15 117.12 1sed h HIS 6 Ca 0.26 -0.12 -0.13 0.00 -1.16 0.00 0.00 60.37 59.22 1sed h HIS 6 Cb 0.24 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1sed h HIS 6 CO 0.02 0.73 -0.22 0.00 0.86 0.00 0.00 177.93 179.32 1sed h ARG 7 N 0.31 0.98 -0.56 2.45 3.08 -1.96 -1.97 114.38 116.71 1sed h ARG 7 Ca 0.03 -0.42 -0.10 0.00 0.07 0.00 0.00 59.98 59.55 1sed h ARG 7 Cb 0.86 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1sed h ARG 7 CO 0.07 1.09 -0.06 0.82 -1.07 0.00 0.00 179.97 180.82 1sed h ILE 8 N 0.83 1.27 -0.93 2.04 2.04 -1.26 -2.29 117.51 119.21 1sed h ILE 8 Ca 0.11 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1sed h ILE 8 Cb 0.79 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1sed h ILE 8 CO 0.07 0.43 0.58 -0.33 0.00 0.00 0.00 178.15 178.90 1sed h GLU 9 N 0.90 1.25 -0.56 2.37 5.08 -1.05 -0.12 114.58 122.45 1sed h GLU 9 Ca 0.15 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1sed h GLU 9 Cb 0.62 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1sed h GLU 9 CO 0.04 0.86 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.76 1sed h ARG 10 N 1.28 1.03 -0.53 2.33 2.43 -1.17 -1.38 114.38 118.37 1sed h ARG 10 Ca 0.34 -0.35 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1sed h ARG 10 Cb -0.08 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1sed h ARG 10 CO -0.07 1.04 0.06 -0.07 -1.51 0.00 0.00 179.97 179.42 1sed h LEU 11 N 0.92 0.82 -0.80 3.80 3.38 -0.83 0.39 115.31 122.99 1sed h LEU 11 Ca 0.15 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1sed h LEU 11 Cb 0.62 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1sed h LEU 11 CO 0.04 0.85 0.06 -0.33 0.09 0.00 0.00 178.44 179.15 1sed h GLU 12 N 0.81 0.97 -0.36 1.13 5.08 -0.74 0.38 114.58 121.85 1sed h GLU 12 Ca 0.16 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1sed h GLU 12 Cb 0.40 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1sed h GLU 12 CO 0.01 0.92 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.92 1sed h TYR 13 N 0.90 0.79 -0.32 4.33 3.20 -0.70 -2.09 116.97 123.09 1sed h TYR 13 Ca 0.18 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1sed h TYR 13 Cb 0.45 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1sed h TYR 13 CO 0.03 0.86 -0.14 1.88 -1.64 0.00 0.00 178.16 179.15 1sed h TYR 14 N 0.49 0.60 -0.53 -3.82 0.05 -0.48 -0.82 116.97 112.46 1sed h TYR 14 Ca 0.09 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 1sed h TYR 14 Cb 0.61 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1sed h TYR 14 CO 0.05 0.67 0.10 0.82 -1.05 0.00 0.00 178.16 178.76 1sed h ILE 15 N 0.50 1.25 -0.87 -2.88 1.08 -0.85 0.17 117.51 115.92 1sed h ILE 15 Ca 0.09 -0.92 0.03 0.00 -0.39 0.00 0.00 64.86 63.67 1sed h ILE 15 Cb 0.54 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 1sed h ILE 15 CO 0.03 0.33 0.57 1.56 -0.69 0.00 0.00 178.15 179.96 1sed h GLN 16 N 0.76 1.07 -0.07 2.37 4.20 -0.65 0.11 115.11 122.90 1sed h GLN 16 Ca 0.16 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1sed h GLN 16 Cb 0.38 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1sed h GLN 16 CO 0.01 0.71 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.70 1sed h LEU 17 N 1.10 0.21 -0.90 1.46 3.38 -0.68 -3.24 115.31 116.64 1sed h LEU 17 Ca 0.34 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1sed h LEU 17 Cb -0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1sed h LEU 17 CO -0.10 0.72 0.51 -0.07 0.09 0.00 0.00 178.44 179.59 1sed h LEU 18 N -0.29 1.10 -2.04 1.67 3.38 -0.20 -1.97 115.31 116.97 1sed h LEU 18 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1sed h LEU 18 Cb 0.67 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1sed h LEU 18 CO 0.03 0.87 -0.07 1.62 0.09 0.00 0.00 178.44 180.98 1sed h VAL 19 N 1.25 0.79 0.00 1.22 3.04 -0.88 0.16 116.25 121.83 1sed h VAL 19 Ca 0.32 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1sed h VAL 19 Cb -0.00 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1sed h VAL 19 CO -0.05 0.07 0.00 0.11 -1.01 0.00 0.00 177.57 176.68 1sed h LYS 20 N 0.00 0.00 -0.03 4.17 1.79 -1.38 -2.44 116.57 118.68 1sed h LYS 20 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sed h LYS 20 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1sed h LYS 20 CO 0.01 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.63 1sed n THR 21 N -2.40 0.01 -2.26 -0.16 -2.24 0.55 -4.94 114.28 102.83 1sed n THR 21 Ca 0.02 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1sed n THR 21 Cb 0.25 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1sed n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sed s VAL 22 N -1.99 3.15 -0.47 2.28 1.01 -0.92 -4.93 120.40 118.53 1sed s VAL 22 Ca 0.34 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 1sed s VAL 22 Cb 0.21 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1sed s VAL 22 CO 0.32 0.21 1.75 -0.62 0.00 0.00 0.00 175.10 176.76 1sed s ASP 23 N -0.23 5.71 0.00 3.32 -1.08 -1.26 -4.84 116.67 118.29 1sed s ASP 23 Ca 0.51 0.79 0.12 0.00 -0.52 0.00 0.00 52.55 53.44 1sed s ASP 23 Cb -0.36 -2.53 0.56 0.00 -1.46 0.00 0.00 42.92 39.13 1sed s ASP 23 CO 0.43 -1.95 1.33 0.23 0.52 0.00 0.00 175.17 175.74 1sed n MET 24 N 8.70 0.10 0.04 4.34 2.81 -1.26 -1.26 117.12 130.59 1sed n MET 24 Ca 0.20 0.22 0.12 0.00 -1.81 0.00 0.00 57.70 56.44 1sed n MET 24 Cb 0.49 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.67 1sed n MET 24 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1sed n ASP 25 N -1.37 0.62 -0.03 7.83 10.43 -1.26 -3.92 116.55 128.85 1sed n ASP 25 Ca 0.05 -0.03 -0.04 0.00 2.57 0.00 0.00 54.79 57.33 1sed n ASP 25 Cb 0.11 0.29 -0.03 0.00 1.84 0.00 0.00 41.12 43.33 1sed n ASP 25 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1sed n ARG 26 N -1.91 0.42 -2.57 -1.24 1.74 -0.47 -4.76 116.66 107.86 1sed n ARG 26 Ca 0.04 0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 1sed n ARG 26 Cb 0.41 -1.12 0.02 0.00 -1.02 0.00 0.00 32.46 30.75 1sed n ARG 26 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1sed n TYR 27 N -2.64 1.98 0.24 -1.55 4.01 -0.39 -4.37 117.16 114.44 1sed n TYR 27 Ca -0.11 -2.74 0.06 0.00 -0.16 0.00 0.00 57.90 54.96 1sed n TYR 27 Cb 0.62 -0.27 0.55 0.00 -0.31 0.00 0.00 39.34 39.93 1sed n TYR 27 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1sed h PRO 28 N 2.74 0.00 -0.18 -0.72 0.13 -1.75 -2.05 132.00 130.18 1sed h PRO 28 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.10 1sed h PRO 28 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1sed h PRO 28 CO 0.58 0.12 -0.21 0.35 -0.23 0.00 0.00 178.00 178.61 1sed h PHE 29 N 0.00 0.55 -0.50 1.56 3.57 -1.91 0.19 116.94 120.40 1sed h PHE 29 Ca -0.00 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.27 1sed h PHE 29 Cb 0.22 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1sed h PHE 29 CO 0.00 0.84 0.08 1.88 -2.23 0.00 0.00 178.31 178.88 1sed h TYR 30 N 0.10 0.81 -0.76 0.41 0.05 -1.89 -1.17 116.97 114.52 1sed h TYR 30 Ca 0.02 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 1sed h TYR 30 Cb 0.77 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1sed h TYR 30 CO 0.09 0.71 0.26 0.00 -1.05 0.00 0.00 178.16 178.16 1sed h ALA 31 N 1.35 1.02 -0.35 3.88 0.00 -1.22 -2.63 119.26 121.31 1sed h ALA 31 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sed h ALA 31 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1sed h ALA 31 CO 0.00 0.67 0.19 1.25 0.00 0.00 0.00 179.25 181.36 1sed h LEU 32 N 1.12 0.44 -0.49 0.00 5.85 -0.18 -0.00 115.31 122.05 1sed h LEU 32 Ca 0.25 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1sed h LEU 32 Cb 0.28 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1sed h LEU 32 CO -0.01 0.40 0.25 -0.07 -0.34 0.00 0.00 178.44 178.67 1sed h LEU 33 N 0.43 0.35 -0.04 2.25 3.38 -1.02 -0.39 115.31 120.28 1sed h LEU 33 Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1sed h LEU 33 Cb 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sed h LEU 33 CO -0.02 0.25 -0.01 0.40 0.09 0.00 0.00 178.44 179.14 1sed h ILE 34 N 0.48 1.31 -1.01 1.22 2.04 -1.31 -1.76 117.51 118.48 1sed h ILE 34 Ca 0.22 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.21 1sed h ILE 34 Cb 0.13 1.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 1sed h ILE 34 CO -0.15 0.25 0.65 -0.78 0.00 0.00 0.00 178.15 178.12 1sed h ASP 35 N -0.29 1.03 0.02 1.72 3.58 -0.77 -1.46 116.42 120.24 1sed h ASP 35 Ca 0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1sed h ASP 35 Cb 0.41 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1sed h ASP 35 CO 0.00 0.64 -0.01 0.29 -2.88 0.00 0.00 179.24 177.29 1sed n LYS 36 N -4.52 1.31 -2.02 0.28 4.76 -0.18 -4.94 118.16 112.86 1sed n LYS 36 Ca 0.16 -0.51 -0.09 0.00 -2.87 0.00 0.00 58.31 55.01 1sed n LYS 36 Cb 0.21 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.90 1sed n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sed n GLY 37 N 1.11 0.18 3.78 0.72 0.00 -0.55 -5.01 105.19 105.42 1sed n GLY 37 Ca 0.21 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1sed n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sed s LEU 38 N -2.39 4.16 0.84 0.99 1.02 -0.69 -5.03 118.68 117.57 1sed s LEU 38 Ca 0.00 2.08 -0.12 0.00 0.02 0.00 0.00 54.13 56.12 1sed s LEU 38 Cb 0.00 -4.15 0.12 0.00 0.02 0.00 0.00 46.19 42.18 1sed s LEU 38 CO 0.00 -0.51 1.19 -0.94 0.02 0.00 0.00 176.35 176.11 1sed s SER 39 N -1.49 4.09 0.18 2.29 1.04 -1.26 -4.80 113.70 113.75 1sed s SER 39 Ca 0.57 0.50 -0.13 0.00 0.48 0.00 0.00 55.95 57.37 1sed s SER 39 Cb -0.23 -0.86 0.10 0.00 0.10 0.00 0.00 66.02 65.13 1sed s SER 39 CO 0.29 -2.13 1.84 0.50 0.98 0.00 0.00 173.24 174.72 1sed h LYS 40 N -1.15 0.72 -0.85 4.02 3.64 -1.99 0.91 116.57 121.87 1sed h LYS 40 Ca -0.45 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1sed h LYS 40 Cb 1.29 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1sed h LYS 40 CO 0.54 0.47 0.45 0.93 -2.27 0.00 0.00 179.45 179.58 1sed h GLU 41 N 0.74 1.20 -0.33 1.90 3.07 -1.99 0.41 114.58 119.59 1sed h GLU 41 Ca 0.22 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.86 1sed h GLU 41 Cb -0.04 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.63 1sed h GLU 41 CO -0.07 0.89 -0.06 0.93 -1.40 0.00 0.00 179.01 179.31 1sed h GLU 42 N 1.20 0.63 -0.38 2.33 5.08 -1.77 -0.75 114.58 120.91 1sed h GLU 42 Ca 0.30 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1sed h GLU 42 Cb 0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1sed h GLU 42 CO -0.04 0.79 0.23 0.78 -1.00 0.00 0.00 179.01 179.76 1sed h GLY 43 N 0.41 0.53 1.32 -3.84 0.00 -0.50 -2.01 103.07 98.98 1sed h GLY 43 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1sed h GLY 43 CO 0.03 0.16 0.14 0.83 0.00 0.00 0.00 176.54 177.70 1sed h GLU 44 N 0.46 0.86 -0.42 4.80 5.08 -0.81 -2.44 114.58 122.11 1sed h GLU 44 Ca 0.15 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1sed h GLU 44 Cb -0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1sed h GLU 44 CO -0.06 0.76 0.09 0.00 -1.00 0.00 0.00 179.01 178.80 1sed h ALA 45 N 1.33 1.37 -0.23 3.43 0.00 -0.63 -1.01 119.26 123.52 1sed h ALA 45 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sed h ALA 45 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sed h ALA 45 CO -0.00 0.45 0.10 0.28 0.00 0.00 0.00 179.25 180.07 1sed h VAL 46 N 0.62 1.16 -0.91 0.00 2.07 -0.90 -2.20 116.25 116.09 1sed h VAL 46 Ca 0.14 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1sed h VAL 46 Cb 0.25 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1sed h VAL 46 CO -0.00 0.16 0.54 0.24 0.02 0.00 0.00 177.57 178.53 1sed h MET 47 N 0.23 1.25 -0.70 1.57 2.07 -1.21 -1.97 114.93 116.17 1sed h MET 47 Ca 0.08 -0.12 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 1sed h MET 47 Cb 0.17 -0.26 -0.03 0.00 -1.87 0.00 0.00 31.60 29.61 1sed h MET 47 CO -0.01 0.88 0.30 0.00 1.07 0.00 0.00 176.91 179.16 1sed h ARG 48 N 1.26 1.02 -0.45 1.72 2.47 -1.00 0.32 114.38 119.72 1sed h ARG 48 Ca 0.33 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1sed h ARG 48 Cb -0.03 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 1sed h ARG 48 CO -0.06 0.81 0.11 0.82 0.56 0.00 0.00 179.97 182.21 1sed h ILE 49 N 1.00 1.24 -0.78 2.04 2.04 -0.78 -1.40 117.51 120.86 1sed h ILE 49 Ca 0.24 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1sed h ILE 49 Cb 0.16 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1sed h ILE 49 CO -0.02 0.29 0.34 0.00 0.00 0.00 0.00 178.15 178.76 1sed h ASP 51 N 1.12 -0.82 -0.88 0.00 3.32 -0.07 -0.18 116.42 118.92 1sed h ASP 51 Ca 0.27 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1sed h ASP 51 Cb 0.17 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1sed h ASP 51 CO -0.03 -0.47 0.46 -0.33 -1.72 0.00 0.00 179.24 177.15 1sed h GLU 52 N -0.72 1.24 -0.01 3.56 4.39 -1.08 -0.30 114.58 121.67 1sed h GLU 52 Ca -0.04 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 1sed h GLU 52 Cb 0.62 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1sed h GLU 52 CO -0.01 0.92 -0.63 -0.07 -1.16 0.00 0.00 179.01 178.07 1sed h LEU 53 N 1.24 0.03 -0.35 1.33 3.38 -1.15 0.13 115.31 119.92 1sed h LEU 53 Ca 0.31 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1sed h LEU 53 Cb 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1sed h LEU 53 CO -0.05 0.66 -0.01 0.28 0.09 0.00 0.00 178.44 179.41 1sed h SER 54 N 0.02 0.61 -0.64 -0.43 0.02 -0.51 0.21 113.55 112.82 1sed h SER 54 Ca -0.01 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 1sed h SER 54 Cb 1.12 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1sed h SER 54 CO 0.08 0.78 0.07 -0.33 -1.14 0.00 0.00 176.83 176.29 1sed h GLU 55 N 0.43 1.09 -0.64 3.45 5.08 -0.90 -0.63 114.58 122.46 1sed h GLU 55 Ca 0.10 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1sed h GLU 55 Cb 0.47 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1sed h GLU 55 CO 0.02 1.03 0.09 1.49 -1.00 0.00 0.00 179.01 180.64 1sed h GLU 56 N 1.01 1.07 -0.14 2.33 4.57 -0.48 -0.96 114.58 121.99 1sed h GLU 56 Ca 0.19 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1sed h GLU 56 Cb 0.49 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1sed h GLU 56 CO 0.02 0.99 0.08 1.25 -1.18 0.00 0.00 179.01 180.18 1sed h LEU 57 N 0.99 0.17 -0.93 1.64 5.85 -0.26 0.21 115.31 122.97 1sed h LEU 57 Ca 0.19 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1sed h LEU 57 Cb 0.45 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1sed h LEU 57 CO 0.01 0.18 0.61 0.00 -0.34 0.00 0.00 178.44 178.90 1sed h ALA 58 N 1.00 1.20 -0.16 1.25 0.00 -0.88 0.18 119.26 121.85 1sed h ALA 58 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sed h ALA 58 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sed h ALA 58 CO -0.01 0.51 0.08 1.15 0.00 0.00 0.00 179.25 180.98 1sed h THR 59 N 1.21 1.12 -0.65 0.00 2.02 -0.86 -1.69 112.91 114.06 1sed h THR 59 Ca 0.36 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 67.11 1sed h THR 59 Cb -0.06 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1sed h THR 59 CO -0.10 0.11 0.07 1.56 0.37 0.00 0.00 175.52 177.54 1sed h GLN 60 N 0.13 1.10 -0.55 6.66 4.20 -0.52 -1.81 115.11 124.33 1sed h GLN 60 Ca 0.05 -0.31 0.05 0.00 0.06 0.00 0.00 58.65 58.50 1sed h GLN 60 Cb 0.11 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1sed h GLN 60 CO -0.01 1.03 0.27 0.87 -0.67 0.00 0.00 178.83 180.32 1sed h LYS 61 N 1.02 0.51 -0.35 1.46 1.57 -0.81 -1.30 116.57 118.67 1sed h LYS 61 Ca 0.19 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1sed h LYS 61 Cb 0.48 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1sed h LYS 61 CO 0.02 0.34 0.20 0.00 -0.57 0.00 0.00 179.45 179.43 1sed h ALA 62 N 1.30 1.69 -0.00 3.86 0.00 -0.92 -0.99 119.26 124.19 1sed h ALA 62 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sed h ALA 62 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sed h ALA 62 CO -0.17 0.27 -0.01 1.04 0.00 0.00 0.00 179.25 180.38 1sed n GLN 63 N -4.45 0.87 -0.13 0.00 6.02 -0.60 -4.90 117.38 114.19 1sed n GLN 63 Ca 0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1sed n GLN 63 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1sed n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sed n GLY 64 N 1.11 0.93 3.78 1.08 0.00 -0.38 -5.08 105.19 106.64 1sed n GLY 64 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1sed n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sed s PHE 65 N -2.00 3.38 0.00 1.61 0.08 -0.59 -4.96 117.98 115.50 1sed s PHE 65 Ca 0.00 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.73 1sed s PHE 65 Cb 0.00 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1sed s PHE 65 CO 0.00 -0.41 0.26 1.33 -0.10 0.00 0.00 175.22 176.30 1sed n VAL 66 N 0.12 0.00 -4.67 -0.44 0.24 -1.26 -4.40 118.33 107.92 1sed n VAL 66 Ca 0.04 -0.40 -0.23 0.00 -2.04 0.00 0.00 64.34 61.71 1sed n VAL 66 Cb 0.50 1.13 -0.15 0.00 -1.47 0.00 0.00 33.84 33.85 1sed n VAL 66 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sed s THR 67 N -0.28 1.15 -0.09 3.34 -4.23 -1.26 -5.05 115.64 109.22 1sed s THR 67 Ca 0.00 -0.61 0.23 0.00 -1.18 0.00 0.00 61.69 60.13 1sed s THR 67 Cb 0.00 -0.96 0.45 0.00 1.34 0.00 0.00 72.50 73.33 1sed s THR 67 CO 0.00 0.33 1.16 0.49 -0.54 0.00 0.00 174.62 176.06 1sed n PHE 68 N 2.78 0.37 -0.35 3.99 3.72 -1.26 -4.92 117.46 121.79 1sed n PHE 68 Ca -0.15 -1.02 0.14 0.00 -0.05 0.00 0.00 57.45 56.38 1sed n PHE 68 Cb 0.55 -0.18 0.34 0.00 -0.94 0.00 0.00 39.48 39.25 1sed n PHE 68 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1sed h ASP 69 N 1.41 0.76 -0.26 4.37 3.32 -1.96 -0.62 116.42 123.43 1sed h ASP 69 Ca -0.17 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.05 1sed h ASP 69 Cb 1.67 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.17 1sed h ASP 69 CO 0.13 0.24 0.19 0.50 -1.72 0.00 0.00 179.24 178.58 1sed h LYS 70 N 0.72 0.01 -0.72 3.56 1.63 -2.00 -2.37 116.57 117.40 1sed h LYS 70 Ca 0.59 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.35 1sed h LYS 70 Cb 0.97 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.57 1sed h LYS 70 CO -0.39 0.01 0.29 -0.07 -3.45 0.00 0.00 179.45 175.83 1sed h LEU 71 N 0.01 0.97 -0.56 5.20 4.07 -1.52 -1.00 115.31 122.49 1sed h LEU 71 Ca 0.12 -0.14 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 1sed h LEU 71 Cb 0.48 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 1sed h LEU 71 CO -0.00 0.87 0.01 0.25 -1.08 0.00 0.00 178.44 178.49 1sed h LEU 72 N 1.04 0.96 -0.76 1.67 5.85 -1.55 -1.03 115.31 121.48 1sed h LEU 72 Ca 0.24 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1sed h LEU 72 Cb 0.20 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1sed h LEU 72 CO -0.02 1.02 0.45 0.00 -0.34 0.00 0.00 178.44 179.55 1sed h ALA 73 N 0.97 0.97 -0.79 1.25 0.00 -1.40 0.41 119.26 120.67 1sed h ALA 73 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1sed h ALA 73 Cb 0.52 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1sed h ALA 73 CO 0.03 0.44 0.33 -0.07 0.00 0.00 0.00 179.25 179.98 1sed h LEU 74 N 1.04 1.07 -0.08 0.00 3.38 -0.94 -0.94 115.31 118.85 1sed h LEU 74 Ca 0.27 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sed h LEU 74 Cb -0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1sed h LEU 74 CO -0.05 0.94 0.03 0.15 0.09 0.00 0.00 178.44 179.60 1sed h PHE 75 N 1.14 0.12 -0.35 1.13 3.57 -0.49 -2.24 116.94 119.81 1sed h PHE 75 Ca 0.26 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1sed h PHE 75 Cb 0.19 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1sed h PHE 75 CO 0.02 0.25 0.08 0.00 -2.23 0.00 0.00 178.31 176.43 1sed h ALA 76 N 0.86 1.50 0.00 2.41 0.00 -0.78 -0.78 119.26 122.46 1sed h ALA 76 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1sed h ALA 76 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sed h ALA 76 CO -0.00 0.37 -0.43 0.78 0.00 0.00 0.00 179.25 179.97 1sed h GLY 77 N 0.73 0.00 0.00 0.00 0.00 -0.85 -3.32 103.07 99.64 1sed h GLY 77 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1sed h GLY 77 CO -0.00 0.00 -1.41 -0.18 0.00 0.00 0.00 176.54 174.94 1sed n GLN 78 N -3.66 0.89 -1.72 4.80 7.27 -0.87 -5.01 117.38 119.08 1sed n GLN 78 Ca -0.01 -0.10 -0.43 0.00 0.07 0.00 0.00 57.00 56.54 1sed n GLN 78 Cb 0.52 -1.29 -0.02 0.00 2.41 0.00 0.00 30.24 31.86 1sed n GLN 78 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1sed n LEU 79 N -1.83 3.91 -4.66 1.69 7.94 -0.32 -4.84 117.00 118.88 1sed n LEU 79 Ca -0.01 1.12 -0.63 0.00 -1.11 0.00 0.00 56.01 55.38 1sed n LEU 79 Cb 0.33 -1.54 -0.09 0.00 0.53 0.00 0.00 43.42 42.65 1sed n LEU 79 CO 0.29 -0.01 1.00 -3.20 -1.11 0.00 0.00 177.39 174.36 1sed n ASN 80 N 2.67 1.10 0.30 1.96 2.85 -1.26 -4.81 115.26 118.07 1sed n ASN 80 Ca 0.12 1.16 0.18 0.00 -0.11 0.00 0.00 54.58 55.93 1sed n ASN 80 Cb 0.34 -0.95 0.95 0.00 1.24 0.00 0.00 39.78 41.36 1sed n ASN 80 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1sed h GLU 81 N 4.77 0.00 0.00 1.20 4.11 -1.97 1.00 114.58 123.69 1sed h GLU 81 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1sed h GLU 81 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1sed h GLU 81 CO 0.87 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.58 1sed n LYS 82 N -3.17 0.10 -4.23 1.06 5.02 -1.26 -4.75 118.16 110.92 1sed n LYS 82 Ca -0.01 0.31 -0.31 0.00 -2.02 0.00 0.00 58.31 56.28 1sed n LYS 82 Cb 0.28 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 1sed n LYS 82 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sed s LEU 83 N -3.75 3.31 0.01 -0.35 1.43 0.34 -4.99 118.68 114.69 1sed s LEU 83 Ca 0.06 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 1sed s LEU 83 Cb 0.10 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1sed s LEU 83 CO 0.35 0.21 0.53 -0.62 0.23 0.00 0.00 176.35 177.06 1sed s ASP 84 N -2.05 6.94 0.09 2.29 2.15 -1.26 -4.88 116.67 119.95 1sed s ASP 84 Ca 0.23 1.12 -0.31 0.00 0.43 0.00 0.00 52.55 54.02 1sed s ASP 84 Cb -0.11 -2.33 -0.15 0.00 -0.30 0.00 0.00 42.92 40.03 1sed s ASP 84 CO 0.14 0.20 1.63 0.58 -0.17 0.00 0.00 175.17 177.55 1sed h VAL 85 N 3.91 0.37 -0.15 1.11 2.07 -1.97 -0.74 116.25 120.84 1sed h VAL 85 Ca -0.48 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1sed h VAL 85 Cb 1.21 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1sed h VAL 85 CO 0.66 0.00 -0.07 0.45 0.02 0.00 0.00 177.57 178.63 1sed h HIS 86 N -0.72 -0.17 -0.63 1.57 3.86 -2.00 -1.51 115.15 115.56 1sed h HIS 86 Ca -0.04 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1sed h HIS 86 Cb 0.61 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1sed h HIS 86 CO -0.13 -0.11 0.38 1.49 0.86 0.00 0.00 177.93 180.41 1sed h GLU 87 N -0.05 0.71 -0.39 2.45 4.81 -1.96 -1.58 114.58 118.56 1sed h GLU 87 Ca 0.08 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1sed h GLU 87 Cb 0.18 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1sed h GLU 87 CO -0.19 0.47 0.09 1.15 -0.73 0.00 0.00 179.01 179.80 1sed h THR 88 N 0.73 1.23 -0.31 0.32 2.02 -0.85 -1.50 112.91 114.54 1sed h THR 88 Ca 0.26 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1sed h THR 88 Cb 0.07 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1sed h THR 88 CO -0.12 0.28 0.17 0.40 0.37 0.00 0.00 175.52 176.61 1sed h ILE 89 N 0.50 1.13 -0.36 3.11 2.04 -1.06 0.79 117.51 123.66 1sed h ILE 89 Ca 0.12 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1sed h ILE 89 Cb 0.33 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1sed h ILE 89 CO 0.00 0.14 -0.14 -0.26 0.00 0.00 0.00 178.15 177.89 1sed h PHE 90 N 0.38 0.70 -0.19 1.37 0.04 -1.26 0.10 116.94 118.09 1sed h PHE 90 Ca 0.11 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1sed h PHE 90 Cb 0.07 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1sed h PHE 90 CO -0.03 0.75 -0.05 0.00 -0.60 0.00 0.00 178.31 178.38 1sed h ALA 91 N 1.27 0.26 -0.27 2.45 0.00 -0.96 0.10 119.26 122.11 1sed h ALA 91 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sed h ALA 91 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1sed h ALA 91 CO 0.04 0.04 0.17 -0.07 0.00 0.00 0.00 179.25 179.43 1sed h LEU 92 N 0.09 0.32 0.12 0.00 3.38 -0.62 -1.51 115.31 117.09 1sed h LEU 92 Ca 0.05 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sed h LEU 92 Cb 0.50 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1sed h LEU 92 CO 0.02 0.26 -0.18 0.22 0.09 0.00 0.00 178.44 178.86 1sed h TYR 93 N 0.35 -0.46 0.00 1.13 3.20 -0.74 -0.86 116.97 119.59 1sed h TYR 93 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1sed h TYR 93 Cb -0.01 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1sed h TYR 93 CO -0.05 -0.26 -0.09 0.93 -1.64 0.00 0.00 178.16 177.05 1sed h GLU 94 N -0.35 0.00 -0.00 1.82 4.39 -0.85 -1.14 114.58 118.44 1sed h GLU 94 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1sed h GLU 94 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1sed h GLU 94 CO -0.08 0.09 -0.06 0.94 -1.16 0.00 0.00 179.01 178.74 1sed n GLN 95 N -4.32 0.77 -0.77 2.33 7.27 -0.58 -4.68 117.38 117.41 1sed n GLN 95 Ca -0.03 -0.20 0.00 0.00 0.07 0.00 0.00 57.00 56.84 1sed n GLN 95 Cb 0.17 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1sed n GLN 95 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sed n GLY 96 N 1.22 0.54 3.90 1.69 0.00 -0.43 -4.96 105.19 107.15 1sed n GLY 96 Ca 0.17 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1sed n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sed s LEU 97 N 0.00 4.30 -1.32 0.99 1.43 -0.36 -4.49 118.68 119.24 1sed s LEU 97 Ca 0.00 0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 53.52 1sed s LEU 97 Cb 0.00 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 43.09 1sed s LEU 97 CO 0.00 0.11 0.19 -1.22 0.23 0.00 0.00 176.35 175.65 1sed n TYR 98 N 0.28 -1.17 -0.14 0.29 4.01 -1.26 -4.29 117.16 114.87 1sed n TYR 98 Ca -0.04 0.40 -0.04 0.00 -0.16 0.00 0.00 57.90 58.05 1sed n TYR 98 Cb 0.52 -2.53 0.02 0.00 -0.31 0.00 0.00 39.34 37.04 1sed n TYR 98 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1sed h GLN 99 N -1.73 -0.05 0.07 -0.72 4.15 -1.92 -0.38 115.11 114.54 1sed h GLN 99 Ca -0.62 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.80 1sed h GLN 99 Cb 1.27 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1sed h GLN 99 CO 0.59 -0.03 -0.04 0.93 -1.93 0.00 0.00 178.83 178.35 1sed h GLU 100 N -0.05 -0.10 -0.50 1.69 3.07 -1.98 -1.44 114.58 115.27 1sed h GLU 100 Ca 0.22 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1sed h GLU 100 Cb 0.38 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1sed h GLU 100 CO -0.49 -0.06 0.18 1.25 -1.40 0.00 0.00 179.01 178.49 1sed h LEU 101 N -0.10 0.72 -1.00 1.33 5.85 -1.84 -2.70 115.31 117.56 1sed h LEU 101 Ca -0.01 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1sed h LEU 101 Cb 0.08 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1sed h LEU 101 CO 0.02 0.71 0.28 0.24 -0.34 0.00 0.00 178.44 179.35 1sed h MET 102 N 0.68 1.00 -0.26 1.25 2.86 -0.91 -0.37 114.93 119.18 1sed h MET 102 Ca 0.16 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1sed h MET 102 Cb 0.24 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1sed h MET 102 CO -0.01 0.81 -0.15 0.93 1.06 0.00 0.00 176.91 179.55 1sed h GLU 103 N 0.98 0.45 -0.36 1.72 5.08 -1.15 0.24 114.58 121.55 1sed h GLU 103 Ca 0.23 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1sed h GLU 103 Cb 0.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1sed h GLU 103 CO -0.02 0.60 -0.42 0.28 -1.00 0.00 0.00 179.01 178.45 1sed h VAL 104 N 0.42 1.27 -0.28 3.13 2.07 -1.05 -1.65 116.25 120.16 1sed h VAL 104 Ca 0.08 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1sed h VAL 104 Cb 0.51 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1sed h VAL 104 CO 0.03 0.53 0.06 -0.26 0.02 0.00 0.00 177.57 177.95 1sed h PHE 105 N 0.72 0.49 -0.78 1.57 0.04 -0.41 -0.76 116.94 117.81 1sed h PHE 105 Ca 0.05 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1sed h PHE 105 Cb 1.02 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 39.00 1sed h PHE 105 CO 0.07 0.54 0.50 0.82 -0.60 0.00 0.00 178.31 179.64 1sed h ILE 106 N 0.29 1.21 -0.17 -0.55 2.04 -0.52 -0.24 117.51 119.57 1sed h ILE 106 Ca 0.09 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1sed h ILE 106 Cb 0.31 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1sed h ILE 106 CO 0.00 0.20 0.04 -0.78 0.00 0.00 0.00 178.15 177.62 1sed h ASP 107 N 1.06 0.25 -0.59 1.72 1.82 -1.01 -1.28 116.42 118.40 1sed h ASP 107 Ca 0.28 -0.22 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1sed h ASP 107 Cb -0.10 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 39.81 1sed h ASP 107 CO -0.06 0.41 0.36 0.40 -1.61 0.00 0.00 179.24 178.74 1sed h ILE 108 N 0.08 1.07 -0.52 2.25 2.04 -0.51 -2.07 117.51 119.85 1sed h ILE 108 Ca 0.05 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1sed h ILE 108 Cb 0.26 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1sed h ILE 108 CO 0.00 0.13 0.14 0.24 0.00 0.00 0.00 178.15 178.66 1sed h MET 109 N 0.71 0.79 -0.30 2.37 2.86 -0.90 -1.47 114.93 118.99 1sed h MET 109 Ca 0.24 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1sed h MET 109 Cb 0.02 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1sed h MET 109 CO -0.10 0.70 0.05 0.87 1.06 0.00 0.00 176.91 179.50 1sed h LYS 110 N 0.76 0.44 -0.01 1.72 1.57 -0.57 0.46 116.57 120.94 1sed h LYS 110 Ca 0.17 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 1sed h LYS 110 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sed h LYS 110 CO -0.00 0.43 -0.80 0.45 -0.57 0.00 0.00 179.45 178.96 1sed h HIS 111 N 0.44 0.19 0.00 -1.35 3.86 -0.71 -3.36 115.15 114.22 1sed h HIS 111 Ca 0.10 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1sed h HIS 111 Cb 0.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1sed h HIS 111 CO 0.01 0.87 -1.65 1.19 0.86 0.00 0.00 177.93 179.21 1sed n PHE 112 N -3.68 0.00 1.10 2.45 3.72 -0.81 -5.13 117.46 115.11 1sed n PHE 112 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1sed n PHE 112 Cb 0.76 -0.33 0.52 0.00 -0.94 0.00 0.00 39.48 39.49 1sed n PHE 112 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46