#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sed n SER 3 N 0.00 2.13 0.18 1.67 2.88 -1.26 -4.43 113.62 114.79 1sed n SER 3 Ca 0.00 -1.74 0.05 0.00 -1.33 0.00 0.00 58.87 55.85 1sed n SER 3 Cb 0.00 -0.08 0.32 0.00 -0.75 0.00 0.00 64.21 63.70 1sed n SER 3 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1sed h MET 4 N 1.07 0.00 -0.56 -1.46 -1.53 -2.05 -2.96 114.93 107.43 1sed h MET 4 Ca 0.00 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1sed h MET 4 Cb 0.49 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.51 1sed h MET 4 CO 0.00 0.39 0.27 0.22 0.14 0.00 0.00 176.91 177.93 1sed h ASP 5 N 0.00 0.74 -0.62 1.39 1.82 -2.00 -2.28 116.42 115.47 1sed h ASP 5 Ca -0.00 -0.13 -0.10 0.00 -0.39 0.00 0.00 57.03 56.41 1sed h ASP 5 Cb 0.92 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 1sed h ASP 5 CO 0.05 0.67 0.01 0.45 -1.61 0.00 0.00 179.24 178.81 1sed h HIS 6 N 0.76 1.18 -0.45 0.28 3.86 -1.83 -0.23 115.15 118.72 1sed h HIS 6 Ca 0.19 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1sed h HIS 6 Cb 0.13 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1sed h HIS 6 CO -0.00 1.03 -0.09 0.00 0.86 0.00 0.00 177.93 179.73 1sed h ARG 7 N 0.98 0.80 -0.39 2.45 3.08 -1.50 -2.02 114.38 117.78 1sed h ARG 7 Ca 0.18 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1sed h ARG 7 Cb 0.55 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1sed h ARG 7 CO 0.03 0.86 -0.20 0.82 -1.07 0.00 0.00 179.97 180.41 1sed h ILE 8 N 0.73 1.28 -0.77 2.04 2.04 -1.18 -2.34 117.51 119.31 1sed h ILE 8 Ca 0.13 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.68 1sed h ILE 8 Cb 0.56 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1sed h ILE 8 CO 0.03 0.45 0.51 -0.33 0.00 0.00 0.00 178.15 178.81 1sed h GLU 9 N 0.64 0.94 -0.34 2.37 5.08 -0.81 -0.08 114.58 122.37 1sed h GLU 9 Ca 0.09 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1sed h GLU 9 Cb 0.76 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1sed h GLU 9 CO 0.06 0.62 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.57 1sed h ARG 10 N 0.96 0.62 -0.46 2.33 2.43 -1.20 -1.44 114.38 117.63 1sed h ARG 10 Ca 0.30 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1sed h ARG 10 Cb 0.01 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1sed h ARG 10 CO -0.08 0.76 0.08 -0.07 -1.51 0.00 0.00 179.97 179.14 1sed h LEU 11 N 0.42 0.65 -0.50 3.80 3.38 -0.79 -0.61 115.31 121.67 1sed h LEU 11 Ca 0.09 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1sed h LEU 11 Cb 0.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1sed h LEU 11 CO 0.02 0.68 -0.05 -0.33 0.09 0.00 0.00 178.44 178.85 1sed h GLU 12 N 0.68 0.92 -0.46 1.13 5.08 -0.86 -0.67 114.58 120.39 1sed h GLU 12 Ca 0.15 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1sed h GLU 12 Cb 0.31 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1sed h GLU 12 CO 0.00 0.97 0.20 -0.92 -1.00 0.00 0.00 179.01 178.27 1sed h TYR 13 N 0.78 0.68 -0.38 4.33 3.20 -0.73 -1.98 116.97 122.87 1sed h TYR 13 Ca 0.14 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1sed h TYR 13 Cb 0.59 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1sed h TYR 13 CO 0.04 0.56 -0.01 1.88 -1.64 0.00 0.00 178.16 178.99 1sed h TYR 14 N 0.60 0.63 -0.53 -3.82 0.05 -0.85 -1.17 116.97 111.87 1sed h TYR 14 Ca 0.16 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.75 1sed h TYR 14 Cb 0.15 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1sed h TYR 14 CO -0.00 0.61 -0.12 0.82 -1.05 0.00 0.00 178.16 178.41 1sed h ILE 15 N 0.57 1.27 -0.50 -2.88 1.08 -0.93 0.29 117.51 116.41 1sed h ILE 15 Ca 0.12 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1sed h ILE 15 Cb 0.38 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 1sed h ILE 15 CO 0.01 0.45 0.28 1.56 -0.69 0.00 0.00 178.15 179.77 1sed h GLN 16 N 0.90 0.67 0.01 2.37 4.20 -0.57 0.38 115.11 123.08 1sed h GLN 16 Ca 0.14 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.60 1sed h GLN 16 Cb 0.69 -0.14 0.02 0.00 0.30 0.00 0.00 27.48 28.35 1sed h GLN 16 CO 0.05 0.48 -0.73 -0.07 -0.67 0.00 0.00 178.83 177.89 1sed h LEU 17 N 0.68 0.62 -0.86 1.46 3.38 -0.90 -3.27 115.31 116.42 1sed h LEU 17 Ca 0.18 -0.77 -0.06 0.00 0.09 0.00 0.00 57.88 57.31 1sed h LEU 17 Cb -0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1sed h LEU 17 CO -0.03 1.31 0.15 -0.07 0.09 0.00 0.00 178.44 179.89 1sed h LEU 18 N -0.01 0.94 -1.69 1.67 3.38 -0.52 -2.49 115.31 116.58 1sed h LEU 18 Ca -0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1sed h LEU 18 Cb 1.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1sed h LEU 18 CO 0.14 0.91 -0.17 1.62 0.09 0.00 0.00 178.44 181.04 1sed h VAL 19 N 0.95 1.06 0.00 1.22 3.04 -1.03 0.41 116.25 121.90 1sed h VAL 19 Ca 0.20 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1sed h VAL 19 Cb 0.35 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1sed h VAL 19 CO 0.00 0.16 0.00 0.11 -1.01 0.00 0.00 177.57 176.84 1sed h LYS 20 N 0.00 0.00 -0.07 4.17 1.79 -1.49 -2.31 116.57 118.66 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 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1sed h LYS 20 CO 0.02 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.64 1sed n THR 21 N -2.32 0.06 -2.28 -0.16 -2.24 0.13 -4.94 114.28 102.53 1sed n THR 21 Ca 0.02 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 1sed n THR 21 Cb 0.21 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.94 3.14 -0.44 2.28 1.01 -0.87 -4.93 120.40 118.66 1sed s VAL 22 Ca 0.33 1.09 -0.28 0.00 0.00 0.00 0.00 61.98 63.12 1sed s VAL 22 Cb 0.20 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1sed s VAL 22 CO 0.31 0.23 1.82 -0.62 0.00 0.00 0.00 175.10 176.85 1sed s ASP 23 N -0.42 5.64 0.00 3.32 -1.08 -1.26 -4.84 116.67 118.03 1sed s ASP 23 Ca 0.49 0.94 0.14 0.00 -0.52 0.00 0.00 52.55 53.60 1sed s ASP 23 Cb -0.36 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.27 1sed s ASP 23 CO 0.45 -1.97 1.39 0.23 0.52 0.00 0.00 175.17 175.79 1sed n MET 24 N 8.69 0.16 0.00 4.34 2.81 -1.26 -1.43 117.12 130.44 1sed n MET 24 Ca 0.22 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.41 1sed n MET 24 Cb 0.49 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.73 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 -1.33 0.69 -0.01 7.83 8.00 -1.26 -3.96 116.55 126.52 1sed n ASP 25 Ca 0.06 -0.48 -0.01 0.00 0.71 0.00 0.00 54.79 55.07 1sed n ASP 25 Cb 0.12 0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 1sed n ASP 25 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sed n ARG 26 N -1.29 1.27 -2.58 -1.24 1.74 -0.61 -4.77 116.66 109.17 1sed n ARG 26 Ca 0.07 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 1sed n ARG 26 Cb 0.34 -1.03 0.03 0.00 -1.02 0.00 0.00 32.46 30.78 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 -2.38 1.86 0.25 -1.55 4.01 -0.51 -4.40 117.16 114.45 1sed n TYR 27 Ca -0.02 -2.59 0.08 0.00 -0.16 0.00 0.00 57.90 55.21 1sed n TYR 27 Cb 0.53 -0.27 0.62 0.00 -0.31 0.00 0.00 39.34 39.91 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 2.69 0.00 -0.10 -0.72 0.13 -1.75 -2.07 132.00 130.17 1sed h PRO 28 Ca 0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1sed h PRO 28 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sed h PRO 28 CO 0.52 0.08 -0.35 0.35 -0.23 0.00 0.00 178.00 178.37 1sed h PHE 29 N 0.00 0.55 -0.67 1.56 3.57 -1.91 -0.48 116.94 119.56 1sed h PHE 29 Ca -0.00 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 1sed h PHE 29 Cb 0.16 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1sed h PHE 29 CO 0.00 0.96 0.31 1.88 -2.23 0.00 0.00 178.31 179.22 1sed h TYR 30 N -0.02 0.96 -0.79 0.41 0.05 -1.89 -1.64 116.97 114.06 1sed h TYR 30 Ca -0.01 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 1sed h TYR 30 Cb 0.98 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 38.38 1sed h TYR 30 CO 0.11 0.72 0.37 0.00 -1.05 0.00 0.00 178.16 178.31 1sed h ALA 31 N 1.38 1.02 -0.40 3.88 0.00 -1.27 -2.58 119.26 121.28 1sed h ALA 31 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sed h ALA 31 Cb 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1sed h ALA 31 CO -0.03 0.59 0.18 1.25 0.00 0.00 0.00 179.25 181.24 1sed h LEU 32 N 1.12 0.54 -0.47 0.00 5.85 -0.44 0.97 115.31 122.87 1sed h LEU 32 Ca 0.27 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1sed h LEU 32 Cb 0.13 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1sed h LEU 32 CO -0.03 0.54 0.22 -0.07 -0.34 0.00 0.00 178.44 178.75 1sed h LEU 33 N 0.51 0.29 -0.11 2.25 3.38 -1.09 0.20 115.31 120.73 1sed h LEU 33 Ca 0.14 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1sed h LEU 33 Cb 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1sed h LEU 33 CO -0.01 0.21 -0.07 0.40 0.09 0.00 0.00 178.44 179.05 1sed h ILE 34 N 0.43 1.33 -0.48 1.22 2.04 -1.32 -1.21 117.51 119.52 1sed h ILE 34 Ca 0.21 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1sed h ILE 34 Cb 0.15 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1sed h ILE 34 CO -0.17 0.33 0.31 -0.78 0.00 0.00 0.00 178.15 177.84 1sed h ASP 35 N -0.12 0.55 0.05 1.72 3.58 -0.55 -1.16 116.42 120.50 1sed h ASP 35 Ca 0.02 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1sed h ASP 35 Cb 0.55 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1sed h ASP 35 CO 0.02 0.41 -0.05 0.29 -2.88 0.00 0.00 179.24 177.03 1sed n LYS 36 N -4.46 1.42 -2.28 0.28 4.76 0.04 -4.95 118.16 112.97 1sed n LYS 36 Ca 0.04 -0.77 -0.10 0.00 -2.87 0.00 0.00 58.31 54.61 1sed n LYS 36 Cb 0.06 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 31.76 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 1.20 -0.00 3.78 0.72 0.00 -0.44 -5.00 105.19 105.44 1sed n GLY 37 Ca 0.18 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.92 4.25 0.86 0.99 1.02 -0.49 -5.03 118.68 117.36 1sed s LEU 38 Ca 0.03 2.09 -0.13 0.00 0.02 0.00 0.00 54.13 56.14 1sed s LEU 38 Cb -0.01 -4.04 0.12 0.00 0.02 0.00 0.00 46.19 42.28 1sed s LEU 38 CO 0.04 -0.39 1.22 -0.94 0.02 0.00 0.00 176.35 176.30 1sed s SER 39 N -1.39 4.03 0.18 2.29 1.04 -1.26 -4.80 113.70 113.78 1sed s SER 39 Ca 0.54 0.63 -0.13 0.00 0.48 0.00 0.00 55.95 57.47 1sed s SER 39 Cb -0.24 -0.99 0.08 0.00 0.10 0.00 0.00 66.02 64.96 1sed s SER 39 CO 0.31 -2.20 1.80 0.50 0.98 0.00 0.00 173.24 174.64 1sed h LYS 40 N -1.26 0.78 -0.74 4.02 3.64 -1.99 0.07 116.57 121.10 1sed h LYS 40 Ca -0.46 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1sed h LYS 40 Cb 1.30 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1sed h LYS 40 CO 0.57 0.58 0.49 0.93 -2.27 0.00 0.00 179.45 179.75 1sed h GLU 41 N 0.77 0.97 -0.33 1.90 3.07 -1.99 -0.83 114.58 118.15 1sed h GLU 41 Ca 0.20 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.95 1sed h GLU 41 Cb 0.00 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1sed h GLU 41 CO -0.04 0.65 0.00 0.93 -1.40 0.00 0.00 179.01 179.16 1sed h GLU 42 N 1.00 0.58 -0.34 2.33 5.08 -1.82 -0.84 114.58 120.57 1sed h GLU 42 Ca 0.27 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sed h GLU 42 Cb -0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1sed h GLU 42 CO -0.06 0.70 0.22 0.78 -1.00 0.00 0.00 179.01 179.66 1sed h GLY 43 N 0.38 0.48 1.74 -3.84 0.00 -0.80 -1.99 103.07 99.04 1sed h GLY 43 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1sed h GLY 43 CO 0.02 0.17 -0.06 0.83 0.00 0.00 0.00 176.54 177.50 1sed h GLU 44 N 0.46 0.32 -0.40 4.80 5.08 -1.04 -2.23 114.58 121.57 1sed h GLU 44 Ca 0.12 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1sed h GLU 44 Cb -0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1sed h GLU 44 CO -0.03 0.41 -0.12 0.00 -1.00 0.00 0.00 179.01 178.27 1sed h ALA 45 N 1.63 1.04 -0.27 3.43 0.00 -0.57 -0.95 119.26 123.57 1sed h ALA 45 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1sed h ALA 45 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sed h ALA 45 CO 0.01 0.58 0.13 0.28 0.00 0.00 0.00 179.25 180.26 1sed h VAL 46 N 0.65 1.14 -0.82 0.00 2.07 -0.80 -2.18 116.25 116.31 1sed h VAL 46 Ca 0.11 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1sed h VAL 46 Cb 0.58 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1sed h VAL 46 CO 0.04 0.14 0.42 0.24 0.02 0.00 0.00 177.57 178.43 1sed h MET 47 N 0.31 1.16 -0.67 1.57 2.07 -1.13 -2.02 114.93 116.21 1sed h MET 47 Ca 0.09 -0.15 -0.03 0.00 -2.07 0.00 0.00 59.70 57.54 1sed h MET 47 Cb 0.10 -0.22 -0.03 0.00 -1.87 0.00 0.00 31.60 29.58 1sed h MET 47 CO -0.01 0.87 0.29 0.00 1.07 0.00 0.00 176.91 179.12 1sed h ARG 48 N 1.16 0.96 -0.38 1.72 2.47 -0.90 0.19 114.38 119.61 1sed h ARG 48 Ca 0.29 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 1sed h ARG 48 Cb 0.07 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 1sed h ARG 48 CO -0.04 0.77 0.11 0.82 0.56 0.00 0.00 179.97 182.19 1sed h ILE 49 N 0.95 1.21 -0.78 2.04 2.04 -0.77 -1.43 117.51 120.77 1sed h ILE 49 Ca 0.23 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1sed h ILE 49 Cb 0.15 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1sed h ILE 49 CO -0.02 0.25 0.46 0.00 0.00 0.00 0.00 178.15 178.83 1sed h ASP 51 N 1.08 -0.61 -0.66 0.00 3.32 -0.27 0.26 116.42 119.53 1sed h ASP 51 Ca 0.28 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 1sed h ASP 51 Cb -0.02 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1sed h ASP 51 CO -0.05 -0.33 0.10 -0.33 -1.72 0.00 0.00 179.24 176.90 1sed h GLU 52 N -0.49 1.11 -0.07 3.56 4.39 -1.07 -0.43 114.58 121.57 1sed h GLU 52 Ca -0.00 -0.30 -0.13 0.00 0.34 0.00 0.00 59.36 59.27 1sed h GLU 52 Cb 0.46 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1sed h GLU 52 CO -0.06 1.02 -0.54 -0.07 -1.16 0.00 0.00 179.01 178.20 1sed h LEU 53 N 1.03 0.23 -0.57 1.33 3.38 -1.15 0.17 115.31 119.73 1sed h LEU 53 Ca 0.20 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1sed h LEU 53 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1sed h LEU 53 CO 0.01 0.73 -0.01 0.28 0.09 0.00 0.00 178.44 179.54 1sed h SER 54 N 0.16 1.00 -0.13 -0.43 0.02 -0.61 0.11 113.55 113.68 1sed h SER 54 Ca 0.00 -0.31 -0.14 0.00 -0.84 0.00 0.00 61.79 60.50 1sed h SER 54 Cb 1.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1sed h SER 54 CO 0.08 1.07 -0.40 -0.33 -1.14 0.00 0.00 176.83 176.12 1sed h GLU 55 N 0.91 0.66 -0.60 3.45 5.08 -0.80 -0.88 114.58 122.40 1sed h GLU 55 Ca 0.16 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1sed h GLU 55 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1sed h GLU 55 CO 0.03 0.94 0.12 1.49 -1.00 0.00 0.00 179.01 180.60 1sed h GLU 56 N 0.54 0.97 -0.13 2.33 4.57 -0.70 -1.02 114.58 121.15 1sed h GLU 56 Ca 0.05 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1sed h GLU 56 Cb 0.92 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1sed h GLU 56 CO 0.08 0.90 0.08 1.25 -1.18 0.00 0.00 179.01 180.14 1sed h LEU 57 N 0.88 0.15 -0.93 1.64 5.85 -0.57 0.16 115.31 122.49 1sed h LEU 57 Ca 0.18 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1sed h LEU 57 Cb 0.38 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1sed h LEU 57 CO 0.01 0.16 0.60 0.00 -0.34 0.00 0.00 178.44 178.87 1sed h ALA 58 N 1.00 1.23 -0.28 1.25 0.00 -0.91 -0.28 119.26 121.28 1sed h ALA 58 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1sed h ALA 58 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1sed h ALA 58 CO -0.01 0.47 -0.01 1.15 0.00 0.00 0.00 179.25 180.85 1sed h THR 59 N 1.17 1.26 -0.53 0.00 2.02 -0.74 -1.86 112.91 114.23 1sed h THR 59 Ca 0.37 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 1sed h THR 59 Cb 0.01 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1sed h THR 59 CO -0.12 0.30 0.01 1.56 0.37 0.00 0.00 175.52 177.64 1sed h GLN 60 N 0.27 0.89 -0.75 6.66 4.20 -0.28 -1.68 115.11 124.42 1sed h GLN 60 Ca 0.08 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1sed h GLN 60 Cb 0.45 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1sed h GLN 60 CO 0.02 0.88 0.42 0.87 -0.67 0.00 0.00 178.83 180.35 1sed h LYS 61 N 0.82 1.03 0.00 1.46 1.57 -0.93 -1.30 116.57 119.23 1sed h LYS 61 Ca 0.16 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1sed h LYS 61 Cb 0.48 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1sed h LYS 61 CO 0.02 0.76 -0.22 0.00 -0.57 0.00 0.00 179.45 179.44 1sed h ALA 62 N 1.22 1.62 -0.00 3.86 0.00 -0.97 -1.97 119.26 123.02 1sed h ALA 62 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sed h ALA 62 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sed h ALA 62 CO -0.05 0.28 -0.06 1.04 0.00 0.00 0.00 179.25 180.46 1sed n GLN 63 N -4.25 0.80 0.00 0.00 6.02 -0.64 -4.92 117.38 114.38 1sed n GLN 63 Ca -0.02 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1sed n GLN 63 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 1.21 0.72 3.78 1.08 0.00 -0.74 -5.08 105.19 106.17 1sed n GLY 64 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 2.86 0.00 1.61 0.08 -0.58 -4.95 117.98 115.00 1sed s PHE 65 Ca 0.00 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.61 1sed s PHE 65 Cb 0.00 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 1sed s PHE 65 CO 0.00 -1.27 0.17 1.33 -0.10 0.00 0.00 175.22 175.35 1sed n VAL 66 N -0.90 0.00 -4.59 -0.44 0.24 -1.26 -4.43 118.33 106.96 1sed n VAL 66 Ca 0.09 -0.28 -0.23 0.00 -2.04 0.00 0.00 64.34 61.88 1sed n VAL 66 Cb 0.51 1.27 -0.14 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.22 1.35 -0.06 3.34 -4.23 -1.26 -5.04 115.64 109.51 1sed s THR 67 Ca 0.00 -0.96 0.22 0.00 -1.18 0.00 0.00 61.69 59.77 1sed s THR 67 Cb 0.00 -1.17 0.39 0.00 1.34 0.00 0.00 72.50 73.06 1sed s THR 67 CO 0.00 0.19 1.15 0.49 -0.54 0.00 0.00 174.62 175.91 1sed n PHE 68 N 2.15 0.16 -0.30 3.99 3.72 -1.26 -4.93 117.46 120.98 1sed n PHE 68 Ca -0.17 -0.84 0.19 0.00 -0.05 0.00 0.00 57.45 56.58 1sed n PHE 68 Cb 0.54 -0.03 0.46 0.00 -0.94 0.00 0.00 39.48 39.52 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 1.18 0.52 0.27 4.37 5.19 -1.96 0.01 116.42 125.99 1sed h ASP 69 Ca -0.26 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 1sed h ASP 69 Cb 1.70 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 41.19 1sed h ASP 69 CO 0.06 0.16 -0.08 0.50 -3.12 0.00 0.00 179.24 176.76 1sed h LYS 70 N 0.49 0.00 -0.33 3.56 3.64 -2.01 -2.11 116.57 119.82 1sed h LYS 70 Ca 0.55 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.87 1sed h LYS 70 Cb 1.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1sed h LYS 70 CO -0.28 0.08 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.85 1sed h LEU 71 N 0.00 0.51 -0.46 5.20 3.38 -1.40 -1.46 115.31 121.07 1sed h LEU 71 Ca -0.00 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1sed h LEU 71 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sed h LEU 71 CO 0.01 0.63 -0.22 0.25 0.09 0.00 0.00 178.44 179.20 1sed h LEU 72 N 0.50 1.00 -0.69 1.67 5.85 -1.51 -1.20 115.31 120.93 1sed h LEU 72 Ca 0.10 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1sed h LEU 72 Cb 0.42 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1sed h LEU 72 CO 0.02 1.18 0.32 0.00 -0.34 0.00 0.00 178.44 179.62 1sed h ALA 73 N 0.85 0.89 -0.43 1.25 0.00 -1.46 0.15 119.26 120.51 1sed h ALA 73 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sed h ALA 73 Cb 0.80 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1sed h ALA 73 CO 0.07 0.46 0.23 -0.07 0.00 0.00 0.00 179.25 179.94 1sed h LEU 74 N 0.96 0.55 0.30 0.00 3.38 -1.09 -0.29 115.31 119.12 1sed h LEU 74 Ca 0.24 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1sed h LEU 74 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1sed h LEU 74 CO -0.03 0.49 -0.24 0.15 0.09 0.00 0.00 178.44 178.90 1sed h PHE 75 N 0.56 -0.64 -0.42 1.13 3.57 -0.77 -2.15 116.94 118.23 1sed h PHE 75 Ca 0.15 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1sed h PHE 75 Cb 0.08 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1sed h PHE 75 CO -0.02 -0.36 0.28 0.00 -2.23 0.00 0.00 178.31 175.98 1sed h ALA 76 N 0.08 1.79 0.00 2.41 0.00 -0.59 -0.26 119.26 122.69 1sed h ALA 76 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sed h ALA 76 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sed h ALA 76 CO -0.02 0.17 -0.03 0.78 0.00 0.00 0.00 179.25 180.15 1sed h GLY 77 N 0.48 0.00 0.00 0.00 0.00 -0.59 -3.33 103.07 99.63 1sed h GLY 77 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1sed h GLY 77 CO -0.04 0.00 -1.22 -0.18 0.00 0.00 0.00 176.54 175.10 1sed n GLN 78 N -3.11 1.26 -1.71 4.80 7.27 -0.85 -5.01 117.38 120.02 1sed n GLN 78 Ca 0.03 -0.07 -0.43 0.00 0.07 0.00 0.00 57.00 56.59 1sed n GLN 78 Cb 0.47 -1.20 -0.02 0.00 2.41 0.00 0.00 30.24 31.89 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 -1.71 3.84 -4.60 1.69 7.94 -0.16 -4.84 117.00 119.16 1sed n LEU 79 Ca -0.01 1.12 -0.61 0.00 -1.11 0.00 0.00 56.01 55.40 1sed n LEU 79 Cb 0.26 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.60 1sed n LEU 79 CO 0.24 -0.03 0.83 -3.20 -1.11 0.00 0.00 177.39 174.12 1sed n ASN 80 N 2.78 0.70 -0.00 1.96 2.85 -1.26 -4.81 115.26 117.47 1sed n ASN 80 Ca 0.12 1.16 0.23 0.00 -0.11 0.00 0.00 54.58 55.98 1sed n ASN 80 Cb 0.34 -0.95 0.72 0.00 1.24 0.00 0.00 39.78 41.13 1sed n ASN 80 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1sed h GLU 81 N 4.05 0.00 0.00 1.20 5.08 -1.98 0.07 114.58 123.00 1sed h GLU 81 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1sed h GLU 81 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1sed h GLU 81 CO 0.78 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.42 1sed n LYS 82 N -3.97 0.16 -4.15 2.33 5.02 -1.26 -4.76 118.16 111.53 1sed n LYS 82 Ca 0.11 0.43 -0.30 0.00 -2.02 0.00 0.00 58.31 56.53 1sed n LYS 82 Cb 0.73 -1.84 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 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 -4.30 3.35 -0.05 -0.35 1.43 0.01 -4.99 118.68 113.78 1sed s LEU 83 Ca 0.04 -0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 1sed s LEU 83 Cb 0.09 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1sed s LEU 83 CO 0.35 0.18 0.49 -0.62 0.23 0.00 0.00 176.35 176.98 1sed s ASP 84 N -2.28 6.81 0.11 2.29 2.15 -1.26 -4.88 116.67 119.60 1sed s ASP 84 Ca 0.25 0.96 -0.27 0.00 0.43 0.00 0.00 52.55 53.92 1sed s ASP 84 Cb -0.12 -2.30 -0.09 0.00 -0.30 0.00 0.00 42.92 40.11 1sed s ASP 84 CO 0.17 0.12 1.64 0.58 -0.17 0.00 0.00 175.17 177.51 1sed h VAL 85 N 4.25 0.44 0.10 1.11 2.07 -1.97 0.17 116.25 122.42 1sed h VAL 85 Ca -0.45 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1sed h VAL 85 Cb 1.20 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1sed h VAL 85 CO 0.70 0.00 -0.12 0.45 0.02 0.00 0.00 177.57 178.62 1sed h HIS 86 N -0.48 -0.31 -0.75 1.57 3.86 -1.99 -1.20 115.15 115.84 1sed h HIS 86 Ca 0.02 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1sed h HIS 86 Cb 0.49 0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 1sed h HIS 86 CO -0.22 -0.19 0.47 1.49 0.86 0.00 0.00 177.93 180.34 1sed h GLU 87 N -0.26 0.87 -0.25 2.45 4.81 -1.95 -1.11 114.58 119.14 1sed h GLU 87 Ca 0.01 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1sed h GLU 87 Cb 0.26 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1sed h GLU 87 CO -0.05 0.58 0.04 1.15 -0.73 0.00 0.00 179.01 180.00 1sed h THR 88 N 0.90 1.23 -0.28 0.32 2.02 -0.76 -1.22 112.91 115.12 1sed h THR 88 Ca 0.31 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1sed h THR 88 Cb 0.06 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1sed h THR 88 CO -0.13 0.25 0.19 0.40 0.37 0.00 0.00 175.52 176.59 1sed h ILE 89 N 0.23 1.07 -0.32 3.11 2.04 -0.92 0.84 117.51 123.57 1sed h ILE 89 Ca 0.08 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1sed h ILE 89 Cb 0.33 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1sed h ILE 89 CO 0.00 0.07 -0.09 -0.26 0.00 0.00 0.00 178.15 177.87 1sed h PHE 90 N 0.38 0.57 -0.07 1.37 0.04 -1.16 0.02 116.94 118.09 1sed h PHE 90 Ca 0.10 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1sed h PHE 90 Cb -0.04 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1sed h PHE 90 CO -0.06 0.62 -0.01 0.00 -0.60 0.00 0.00 178.31 178.26 1sed h ALA 91 N 1.41 0.09 -0.42 2.45 0.00 -0.71 0.15 119.26 122.23 1sed h ALA 91 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sed h ALA 91 Cb 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1sed h ALA 91 CO 0.03 -0.21 0.22 -0.07 0.00 0.00 0.00 179.25 179.21 1sed h LEU 92 N -0.20 0.32 0.08 0.00 3.38 -0.65 -1.11 115.31 117.14 1sed h LEU 92 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sed h LEU 92 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1sed h LEU 92 CO 0.01 0.23 -0.07 0.22 0.09 0.00 0.00 178.44 178.92 1sed h TYR 93 N 0.44 -0.18 -0.12 1.13 3.20 -0.88 -0.22 116.97 120.34 1sed h TYR 93 Ca 0.18 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1sed h TYR 93 Cb 0.07 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1sed h TYR 93 CO -0.10 -0.11 -0.10 0.93 -1.64 0.00 0.00 178.16 177.14 1sed h GLU 94 N -0.16 0.18 0.00 1.82 4.39 -0.73 -1.15 114.58 118.93 1sed h GLU 94 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1sed h GLU 94 Cb 0.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1sed h GLU 94 CO -0.02 0.29 0.00 0.94 -1.16 0.00 0.00 179.01 179.07 1sed n GLN 95 N -4.32 0.45 -0.96 2.33 7.27 -0.44 -4.70 117.38 117.01 1sed n GLN 95 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1sed n GLN 95 Cb 0.23 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.38 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 1.12 0.50 3.91 1.69 0.00 -0.43 -4.96 105.19 107.02 1sed n GLY 96 Ca 0.14 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 4.34 -1.42 0.99 1.43 -0.13 -4.56 118.68 119.33 1sed s LEU 97 Ca 0.00 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 1sed s LEU 97 Cb 0.00 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1sed s LEU 97 CO 0.00 0.18 0.27 -1.22 0.23 0.00 0.00 176.35 175.81 1sed n TYR 98 N 0.36 -1.32 -0.14 0.29 4.01 -1.26 -4.25 117.16 114.84 1sed n TYR 98 Ca -0.06 0.41 -0.06 0.00 -0.16 0.00 0.00 57.90 58.04 1sed n TYR 98 Cb 0.51 -2.83 0.03 0.00 -0.31 0.00 0.00 39.34 36.74 1sed n TYR 98 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1sed h GLN 99 N -2.12 0.43 0.20 -0.72 1.08 -1.92 0.62 115.11 112.69 1sed h GLN 99 Ca -0.68 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.48 1sed h GLN 99 Cb 1.40 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1sed h GLN 99 CO 0.63 0.29 -0.10 0.93 -0.95 0.00 0.00 178.83 179.63 1sed h GLU 100 N 0.45 -0.26 -0.52 1.46 3.07 -1.99 -1.04 114.58 115.75 1sed h GLU 100 Ca 0.19 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1sed h GLU 100 Cb 0.09 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1sed h GLU 100 CO -0.13 -0.15 0.25 1.25 -1.40 0.00 0.00 179.01 178.83 1sed h LEU 101 N -0.31 0.68 -0.73 1.33 5.85 -1.90 -2.48 115.31 117.76 1sed h LEU 101 Ca -0.03 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1sed h LEU 101 Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1sed h LEU 101 CO 0.05 0.62 0.33 0.24 -0.34 0.00 0.00 178.44 179.34 1sed h MET 102 N 0.70 1.07 -0.50 1.25 2.86 -0.76 0.25 114.93 119.79 1sed h MET 102 Ca 0.18 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1sed h MET 102 Cb 0.12 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1sed h MET 102 CO -0.02 0.85 0.14 0.93 1.06 0.00 0.00 176.91 179.87 1sed h GLU 103 N 1.03 0.74 -0.37 1.72 5.08 -1.04 0.28 114.58 122.02 1sed h GLU 103 Ca 0.25 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1sed h GLU 103 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1sed h GLU 103 CO -0.03 0.66 -0.06 0.28 -1.00 0.00 0.00 179.01 178.86 1sed h VAL 104 N 0.73 1.27 -0.55 3.13 2.07 -0.95 -1.04 116.25 120.90 1sed h VAL 104 Ca 0.17 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1sed h VAL 104 Cb 0.23 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1sed h VAL 104 CO -0.01 0.37 0.19 -0.26 0.02 0.00 0.00 177.57 177.88 1sed h PHE 105 N 0.51 0.87 -0.31 1.57 0.04 -0.29 -0.63 116.94 118.69 1sed h PHE 105 Ca 0.10 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1sed h PHE 105 Cb 0.56 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1sed h PHE 105 CO 0.05 0.73 -0.03 0.82 -0.60 0.00 0.00 178.31 179.27 1sed h ILE 106 N 0.76 1.20 -0.07 -0.55 2.04 -0.35 -1.02 117.51 119.52 1sed h ILE 106 Ca 0.18 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1sed h ILE 106 Cb 0.25 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1sed h ILE 106 CO -0.01 0.28 -0.00 -0.78 0.00 0.00 0.00 178.15 177.63 1sed h ASP 107 N 0.47 0.13 -0.68 1.72 3.58 -0.70 -1.80 116.42 119.14 1sed h ASP 107 Ca 0.10 -0.32 0.06 0.00 0.42 0.00 0.00 57.03 57.29 1sed h ASP 107 Cb 0.36 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 1sed h ASP 107 CO 0.01 0.42 0.38 0.40 -2.88 0.00 0.00 179.24 177.57 1sed h ILE 108 N -0.16 0.96 -0.33 2.25 2.04 -0.79 -1.69 117.51 119.80 1sed h ILE 108 Ca 0.02 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1sed h ILE 108 Cb 0.35 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1sed h ILE 108 CO 0.00 0.13 0.00 0.24 0.00 0.00 0.00 178.15 178.52 1sed h MET 109 N 0.70 0.51 -0.26 2.37 2.86 -1.07 -1.76 114.93 118.27 1sed h MET 109 Ca 0.31 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 1sed h MET 109 Cb 0.20 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1sed h MET 109 CO -0.19 0.53 -0.16 0.87 1.06 0.00 0.00 176.91 179.03 1sed h LYS 110 N 0.49 0.44 -0.01 1.72 1.57 -0.42 0.20 116.57 120.56 1sed h LYS 110 Ca 0.11 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1sed h LYS 110 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1sed h LYS 110 CO 0.01 0.59 -0.71 0.45 -0.57 0.00 0.00 179.45 179.22 1sed h HIS 111 N 0.41 0.11 0.00 -1.35 3.86 -0.83 -3.36 115.15 113.99 1sed h HIS 111 Ca 0.07 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1sed h HIS 111 Cb 0.52 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1sed h HIS 111 CO 0.02 0.76 -1.16 1.19 0.86 0.00 0.00 177.93 179.60 1sed n PHE 112 N -3.74 0.00 1.31 2.45 3.01 -0.81 -5.13 117.46 114.55 1sed n PHE 112 Ca -0.02 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.55 1sed n PHE 112 Cb 0.69 -0.17 0.62 0.00 -0.01 0.00 0.00 39.48 40.61 1sed n PHE 112 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52