#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg2 n LYS 2 N 0.00 0.87 -3.45 -1.24 4.76 0.13 -4.84 118.16 114.40 1mg2 n LYS 2 Ca 0.00 -0.70 -0.13 0.00 -2.87 0.00 0.00 58.31 54.61 1mg2 n LYS 2 Cb 0.00 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.68 1mg2 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mg2 s ALA 3 N -2.62 -1.66 0.28 7.82 0.00 -1.26 -1.43 121.76 122.89 1mg2 s ALA 3 Ca 0.15 0.71 0.11 0.00 0.00 0.00 0.00 51.96 52.93 1mg2 s ALA 3 Cb 0.17 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1mg2 s ALA 3 CO 0.66 -0.68 -0.15 0.95 0.00 0.00 0.00 175.76 176.54 1mg2 s THR 4 N -3.19 2.71 -0.29 0.00 -4.23 0.16 -4.94 115.64 105.86 1mg2 s THR 4 Ca -0.01 -2.28 -0.02 0.00 -1.18 0.00 0.00 61.69 58.20 1mg2 s THR 4 Cb -0.01 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.43 1mg2 s THR 4 CO -0.08 -0.39 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.98 1mg2 s ILE 5 N -2.47 3.03 0.24 2.99 1.01 -1.26 -0.99 121.20 123.75 1mg2 s ILE 5 Ca 0.30 -1.28 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 1mg2 s ILE 5 Cb -0.05 -2.70 0.22 0.00 0.01 0.00 0.00 42.46 39.94 1mg2 s ILE 5 CO 0.16 -0.04 1.87 -0.65 0.00 0.00 0.00 174.94 176.28 1mg2 h PRO 6 N 8.02 1.27 -3.26 2.79 0.11 -1.96 -3.41 132.00 135.57 1mg2 h PRO 6 Ca -0.24 -0.14 -0.42 0.00 0.11 0.00 0.00 66.00 65.31 1mg2 h PRO 6 Cb 1.07 -0.25 -0.40 0.00 0.11 0.00 0.00 31.00 31.53 1mg2 h PRO 6 CO 0.54 0.91 -0.75 0.45 -0.21 0.00 0.00 178.00 178.95 1mg2 s SER 7 N -6.22 1.79 0.41 -2.05 0.15 -1.26 -5.02 113.70 101.50 1mg2 s SER 7 Ca -0.13 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 56.32 1mg2 s SER 7 Cb 0.17 -0.24 0.87 0.00 -1.71 0.00 0.00 66.02 65.11 1mg2 s SER 7 CO 0.83 -0.29 2.06 1.05 1.20 0.00 0.00 173.24 178.08 1mg2 h GLU 8 N 8.41 0.53 -6.27 5.44 9.09 -1.95 -3.43 114.58 126.40 1mg2 h GLU 8 Ca -0.14 -0.03 -0.57 0.00 0.05 0.00 0.00 59.36 58.66 1mg2 h GLU 8 Cb 1.13 -0.12 -0.09 0.00 -1.65 0.00 0.00 28.75 28.02 1mg2 h GLU 8 CO 0.23 0.35 -0.62 -1.12 0.05 0.00 0.00 179.01 177.90 1mg2 s SER 9 N -6.65 4.92 0.69 3.06 0.01 -1.26 -4.72 113.70 109.74 1mg2 s SER 9 Ca -0.08 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 56.62 1mg2 s SER 9 Cb 0.18 -1.08 0.02 0.00 0.21 0.00 0.00 66.02 65.34 1mg2 s SER 9 CO 0.73 0.04 1.19 -2.84 0.41 0.00 0.00 173.24 172.77 1mg2 s PRO 10 N -3.29 2.45 0.24 12.44 0.02 -1.26 -4.93 135.00 140.67 1mg2 s PRO 10 Ca 0.30 1.69 0.02 0.00 0.02 0.00 0.00 61.00 63.03 1mg2 s PRO 10 Cb -0.08 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 1mg2 s PRO 10 CO 0.20 -1.58 0.05 -0.59 -0.33 0.00 0.00 177.00 174.75 1mg2 s PHE 11 N -1.98 1.49 0.05 6.54 -0.71 -0.29 -4.88 117.98 118.20 1mg2 s PHE 11 Ca 0.73 -1.07 -0.30 0.00 -1.04 0.00 0.00 56.93 55.25 1mg2 s PHE 11 Cb -0.27 -0.87 -0.08 0.00 -1.21 0.00 0.00 43.02 40.58 1mg2 s PHE 11 CO 0.42 -0.22 1.73 0.00 -1.34 0.00 0.00 175.22 175.82 1mg2 s ALA 12 N -3.63 3.66 0.38 1.99 0.00 -1.26 0.62 121.76 123.53 1mg2 s ALA 12 Ca 0.32 1.21 0.14 0.00 0.00 0.00 0.00 51.96 53.63 1mg2 s ALA 12 Cb 0.07 -3.74 0.99 0.00 0.00 0.00 0.00 23.12 20.43 1mg2 s ALA 12 CO 0.10 -1.26 1.81 0.00 0.00 0.00 0.00 175.76 176.40 1mg2 h ALA 13 N 9.01 2.06 0.00 0.00 0.00 -1.35 -0.23 119.26 128.75 1mg2 h ALA 13 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1mg2 h ALA 13 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mg2 h ALA 13 CO 0.94 -0.40 0.17 0.00 0.00 0.00 0.00 179.25 179.95 1mg2 h ALA 14 N 1.62 1.13 -0.00 0.00 0.00 -1.90 0.18 119.26 120.29 1mg2 h ALA 14 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1mg2 h ALA 14 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1mg2 h ALA 14 CO -0.27 -0.13 -0.22 0.39 0.00 0.00 0.00 179.25 179.02 1mg2 n GLU 15 N -2.41 0.58 -2.46 0.00 1.02 -0.10 -4.80 120.64 112.46 1mg2 n GLU 15 Ca -0.02 -0.27 -0.43 0.00 -0.02 0.00 0.00 57.16 56.42 1mg2 n GLU 15 Cb 0.20 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1mg2 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mg2 s VAL 16 N -2.61 4.29 0.59 2.62 1.01 0.62 -4.98 120.40 121.94 1mg2 s VAL 16 Ca 0.23 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.53 1mg2 s VAL 16 Cb 0.19 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1mg2 s VAL 16 CO 0.53 -0.30 1.24 0.00 0.00 0.00 0.00 175.10 176.57 1mg2 s ALA 17 N 3.82 2.56 0.32 5.51 0.00 -1.26 -4.94 121.76 127.77 1mg2 s ALA 17 Ca 0.53 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 1mg2 s ALA 17 Cb -0.18 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1mg2 s ALA 17 CO 0.17 -1.26 1.44 -0.51 0.00 0.00 0.00 175.76 175.60 1mg2 s ASP 18 N -1.46 6.55 0.00 0.00 1.11 -1.26 -2.56 116.67 119.05 1mg2 s ASP 18 Ca 0.77 2.83 0.00 0.00 0.18 0.00 0.00 52.55 56.34 1mg2 s ASP 18 Cb -0.33 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.01 1mg2 s ASP 18 CO 0.36 -0.74 0.00 0.61 1.18 0.00 0.00 175.17 176.59 1mg2 n GLY 19 N 1.24 0.94 3.80 0.21 0.00 -1.26 -5.06 105.19 105.06 1mg2 n GLY 19 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1mg2 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg2 s ALA 20 N -2.56 2.81 -0.04 4.61 0.00 -1.06 -4.96 121.76 120.56 1mg2 s ALA 20 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1mg2 s ALA 20 Cb 0.00 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1mg2 s ALA 20 CO 0.00 -0.54 1.71 0.42 0.00 0.00 0.00 175.76 177.35 1mg2 s ILE 21 N -2.17 3.48 -0.00 0.00 -1.09 -1.26 -4.97 121.20 115.19 1mg2 s ILE 21 Ca 0.66 0.59 0.03 0.00 -2.23 0.00 0.00 60.65 59.70 1mg2 s ILE 21 Cb -0.17 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1mg2 s ILE 21 CO 0.27 -0.05 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.13 1mg2 s VAL 22 N 4.12 0.88 -0.27 2.92 1.01 -1.26 -1.18 120.40 126.63 1mg2 s VAL 22 Ca 0.76 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1mg2 s VAL 22 Cb -0.35 -0.75 0.07 0.00 0.00 0.00 0.00 36.38 35.35 1mg2 s VAL 22 CO 0.32 0.20 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 1mg2 s VAL 23 N -0.36 2.07 0.26 2.92 1.01 -0.50 -4.95 120.40 120.85 1mg2 s VAL 23 Ca 0.03 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 60.13 1mg2 s VAL 23 Cb -0.05 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 1mg2 s VAL 23 CO -0.00 -0.13 0.79 -1.81 0.00 0.00 0.00 175.10 173.95 1mg2 s ASP 24 N 1.12 7.13 -0.17 3.32 1.01 -1.26 -1.84 116.67 125.99 1mg2 s ASP 24 Ca -0.06 1.54 -0.00 0.00 0.71 0.00 0.00 52.55 54.74 1mg2 s ASP 24 Cb -0.20 -2.47 -0.00 0.00 1.01 0.00 0.00 42.92 41.27 1mg2 s ASP 24 CO -0.06 -0.01 -0.14 -0.63 0.21 0.00 0.00 175.17 174.54 1mg2 s ILE 25 N -1.57 2.72 0.01 0.77 1.01 -0.12 0.09 121.20 124.11 1mg2 s ILE 25 Ca 0.46 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 60.08 1mg2 s ILE 25 Cb -0.17 -2.16 0.09 0.00 0.01 0.00 0.00 42.46 40.23 1mg2 s ILE 25 CO 0.22 0.50 0.78 0.00 0.00 0.00 0.00 174.94 176.44 1mg2 s ALA 26 N 0.94 -1.77 -1.53 9.38 0.00 -0.53 -0.42 121.76 127.84 1mg2 s ALA 26 Ca -0.03 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1mg2 s ALA 26 Cb -0.15 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.32 1mg2 s ALA 26 CO -0.02 -0.58 0.87 1.63 0.00 0.00 0.00 175.76 177.66 1mg2 n LYS 27 N 0.13 -4.85 -3.25 0.00 4.76 -1.26 -1.71 118.16 111.99 1mg2 n LYS 27 Ca -0.14 0.54 -0.22 0.00 -2.87 0.00 0.00 58.31 55.62 1mg2 n LYS 27 Cb 0.61 -5.31 0.05 0.00 -1.84 0.00 0.00 35.03 28.55 1mg2 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1mg2 n MET 28 N -4.56 -6.10 -3.44 1.97 2.81 -1.26 -4.98 117.12 101.56 1mg2 n MET 28 Ca -0.02 0.85 -0.13 0.00 -1.81 0.00 0.00 57.70 56.59 1mg2 n MET 28 Cb 0.55 -5.74 -0.03 0.00 -0.71 0.00 0.00 33.22 27.29 1mg2 n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1mg2 s LYS 29 N -5.94 1.25 -0.37 0.03 -2.85 -0.69 -4.81 119.74 106.35 1mg2 s LYS 29 Ca 0.42 -0.36 -0.22 0.00 -1.00 0.00 0.00 55.97 54.81 1mg2 s LYS 29 Cb -0.18 0.58 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1mg2 s LYS 29 CO 0.52 -0.53 0.71 0.71 0.10 0.00 0.00 175.35 176.86 1mg2 s TYR 30 N -3.37 3.12 0.54 1.78 2.02 -1.26 -1.45 117.35 118.73 1mg2 s TYR 30 Ca -0.01 0.40 0.29 0.00 -0.37 0.00 0.00 57.07 57.39 1mg2 s TYR 30 Cb -0.01 -3.30 1.45 0.00 -0.40 0.00 0.00 41.96 39.70 1mg2 s TYR 30 CO -0.10 -0.71 1.93 0.93 -1.57 0.00 0.00 175.55 176.03 1mg2 h GLU 31 N 8.53 0.00 -3.12 -0.62 4.39 -0.66 -3.19 114.58 119.92 1mg2 h GLU 31 Ca -0.25 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.82 1mg2 h GLU 31 Cb 1.10 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.34 1mg2 h GLU 31 CO 0.88 0.00 -0.63 0.99 -1.16 0.00 0.00 179.01 179.09 1mg2 s THR 32 N -4.95 2.50 0.30 1.13 2.01 -1.26 -4.98 115.64 110.39 1mg2 s THR 32 Ca -0.05 -3.74 -0.00 0.00 0.31 0.00 0.00 61.69 58.21 1mg2 s THR 32 Cb 0.20 -2.68 0.28 0.00 0.01 0.00 0.00 72.50 70.31 1mg2 s THR 32 CO 0.73 -0.95 1.92 -0.65 -0.69 0.00 0.00 174.62 174.98 1mg2 h PRO 33 N 5.86 1.03 -2.58 4.92 0.11 -1.88 -3.33 132.00 136.12 1mg2 h PRO 33 Ca 0.07 -0.06 -0.61 0.00 0.11 0.00 0.00 66.00 65.51 1mg2 h PRO 33 Cb 0.82 -0.23 -0.42 0.00 0.11 0.00 0.00 31.00 31.28 1mg2 h PRO 33 CO 0.67 0.68 -0.55 -1.91 -0.21 0.00 0.00 178.00 176.68 1mg2 n GLU 34 N -4.48 2.29 -2.38 1.05 2.13 -1.26 -0.34 120.64 117.66 1mg2 n GLU 34 Ca 0.13 -4.60 -0.41 0.00 0.66 0.00 0.00 57.16 52.94 1mg2 n GLU 34 Cb 0.18 -2.28 -0.03 0.00 0.27 0.00 0.00 31.44 29.57 1mg2 n GLU 34 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1mg2 s LEU 35 N -2.07 4.44 -0.22 4.31 0.20 -0.85 -4.90 118.68 119.58 1mg2 s LEU 35 Ca 0.34 2.19 -0.01 0.00 0.69 0.00 0.00 54.13 57.34 1mg2 s LEU 35 Cb 0.07 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 42.25 1mg2 s LEU 35 CO -0.08 -0.39 -0.11 -1.00 -0.29 0.00 0.00 176.35 174.48 1mg2 s HIS 36 N 0.15 2.95 0.42 5.38 3.76 -1.26 0.25 115.29 126.94 1mg2 s HIS 36 Ca 0.54 -1.53 0.04 0.00 -0.15 0.00 0.00 55.06 53.96 1mg2 s HIS 36 Cb -0.32 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 1mg2 s HIS 36 CO 0.35 -0.73 0.14 0.14 -0.85 0.00 0.00 174.74 173.78 1mg2 s VAL 37 N 1.33 0.56 0.10 -0.90 -7.23 -0.38 -4.96 120.40 108.91 1mg2 s VAL 37 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1mg2 s VAL 37 Cb -0.15 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1mg2 s VAL 37 CO -0.07 0.00 0.00 -0.54 -0.31 0.00 0.00 175.10 174.18 1mg2 s LYS 38 N -3.68 2.56 -0.06 4.82 -0.14 -1.26 -1.20 119.74 120.77 1mg2 s LYS 38 Ca 0.22 -0.85 -0.37 0.00 -1.36 0.00 0.00 55.97 53.61 1mg2 s LYS 38 Cb 0.02 -2.54 -0.15 0.00 -1.68 0.00 0.00 37.83 33.48 1mg2 s LYS 38 CO 0.15 0.54 1.58 0.28 -0.76 0.00 0.00 175.35 177.13 1mg2 n VAL 39 N 0.51 0.19 0.00 3.17 0.31 -1.26 -0.88 118.33 120.36 1mg2 n VAL 39 Ca -0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1mg2 n VAL 39 Cb 0.52 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1mg2 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mg2 n GLY 40 N 3.47 2.52 3.76 2.92 0.00 0.15 -5.01 105.19 113.00 1mg2 n GLY 40 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1mg2 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mg2 s ASP 41 N -0.80 5.15 -0.16 1.61 1.01 -0.06 -4.68 116.67 118.75 1mg2 s ASP 41 Ca 0.00 2.17 -0.02 0.00 0.71 0.00 0.00 52.55 55.40 1mg2 s ASP 41 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1mg2 s ASP 41 CO 0.00 -1.61 -0.07 -0.89 0.21 0.00 0.00 175.17 172.81 1mg2 s THR 42 N -2.00 3.47 -0.14 -1.27 2.01 -1.26 -1.82 115.64 114.63 1mg2 s THR 42 Ca 0.71 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 1mg2 s THR 42 Cb -0.24 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1mg2 s THR 42 CO 0.37 0.49 0.10 -0.69 -0.69 0.00 0.00 174.62 174.20 1mg2 s VAL 43 N 0.59 5.19 -0.15 3.82 1.01 0.19 -4.20 120.40 126.85 1mg2 s VAL 43 Ca -0.05 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1mg2 s VAL 43 Cb -0.15 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1mg2 s VAL 43 CO 0.03 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.63 1mg2 s THR 44 N -0.55 1.77 -0.11 3.92 2.01 -0.32 -1.22 115.64 121.14 1mg2 s THR 44 Ca 0.12 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 1mg2 s THR 44 Cb -0.12 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1mg2 s THR 44 CO 0.02 0.49 0.42 0.26 -0.69 0.00 0.00 174.62 175.12 1mg2 s TRP 45 N 1.21 3.53 -0.18 4.92 0.51 0.88 -1.42 118.94 128.40 1mg2 s TRP 45 Ca 0.00 0.83 0.00 0.00 -2.12 0.00 0.00 56.10 54.82 1mg2 s TRP 45 Cb -0.14 -2.46 0.04 0.00 -0.81 0.00 0.00 33.47 30.10 1mg2 s TRP 45 CO -0.08 0.26 -0.10 0.42 -0.51 0.00 0.00 176.95 176.94 1mg2 s ILE 46 N 0.32 1.49 0.07 2.03 1.01 -0.76 -1.14 121.20 124.22 1mg2 s ILE 46 Ca 0.23 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1mg2 s ILE 46 Cb -0.15 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1mg2 s ILE 46 CO 0.09 0.24 1.03 0.21 0.00 0.00 0.00 174.94 176.51 1mg2 s ASN 47 N 1.48 7.35 0.00 3.58 2.47 -0.88 -0.94 114.94 128.00 1mg2 s ASN 47 Ca 0.01 1.81 0.12 0.00 0.42 0.00 0.00 52.86 55.23 1mg2 s ASN 47 Cb -0.15 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 37.08 1mg2 s ASN 47 CO -0.09 -0.23 0.74 0.54 -3.72 0.00 0.00 177.10 174.34 1mg2 n ARG 48 N 3.38 1.76 -4.58 0.43 5.12 0.44 -1.26 116.66 121.95 1mg2 n ARG 48 Ca 0.05 -0.77 -0.28 0.00 -1.93 0.00 0.00 57.85 54.92 1mg2 n ARG 48 Cb 0.49 -1.17 -0.10 0.00 -1.16 0.00 0.00 32.46 30.52 1mg2 n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1mg2 s GLU 49 N -1.48 2.00 0.28 5.56 -1.05 -1.25 -4.77 118.70 117.97 1mg2 s GLU 49 Ca 0.11 -2.10 0.01 0.00 -0.15 0.00 0.00 54.97 52.84 1mg2 s GLU 49 Cb 0.10 -1.67 0.39 0.00 -0.44 0.00 0.00 34.13 32.52 1mg2 s GLU 49 CO 0.29 -0.07 1.74 0.00 0.95 0.00 0.00 175.26 178.16 1mg2 h ALA 50 N 1.72 1.11 -2.11 -0.84 0.00 -1.96 -3.21 119.26 113.96 1mg2 h ALA 50 Ca -0.44 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.58 1mg2 h ALA 50 Cb 1.24 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1mg2 h ALA 50 CO 0.80 0.55 1.27 -0.12 0.00 0.00 0.00 179.25 181.75 1mg2 n MET 51 N -4.16 2.38 -1.94 0.00 0.00 -1.26 -4.46 117.12 107.69 1mg2 n MET 51 Ca 0.00 0.83 -0.41 0.00 0.00 0.00 0.00 57.70 58.13 1mg2 n MET 51 Cb 0.37 -2.93 -0.01 0.00 0.00 0.00 0.00 33.22 30.65 1mg2 n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1mg2 s PRO 52 N 4.88 4.19 0.11 2.12 0.02 -1.26 -4.83 135.00 140.23 1mg2 s PRO 52 Ca 0.94 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 64.34 1mg2 s PRO 52 Cb -0.51 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 1mg2 s PRO 52 CO 0.44 -0.40 0.07 -1.01 -0.33 0.00 0.00 177.00 175.77 1mg2 s HIS 53 N -1.14 0.67 0.36 6.54 3.76 -0.96 -4.94 115.29 119.59 1mg2 s HIS 53 Ca 0.51 -1.09 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 1mg2 s HIS 53 Cb -0.43 -0.37 0.03 0.00 1.11 0.00 0.00 32.58 32.91 1mg2 s HIS 53 CO 0.58 -0.51 0.61 0.27 -0.85 0.00 0.00 174.74 174.84 1mg2 n ASN 54 N -0.06 -1.73 -4.32 1.40 6.94 -1.26 0.13 115.26 116.36 1mg2 n ASN 54 Ca -0.08 -2.73 -0.32 0.00 -0.02 0.00 0.00 54.58 51.43 1mg2 n ASN 54 Cb 0.63 3.04 -0.16 0.00 -2.36 0.00 0.00 39.78 40.93 1mg2 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1mg2 s VAL 55 N -2.51 2.24 -0.12 3.53 -7.23 -1.26 -4.32 120.40 110.73 1mg2 s VAL 55 Ca 0.23 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1mg2 s VAL 55 Cb -0.03 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.13 1mg2 s VAL 55 CO 0.17 0.57 -0.02 -2.28 -0.31 0.00 0.00 175.10 173.23 1mg2 s HIS 56 N -0.38 1.14 -0.19 2.82 5.04 0.23 -1.46 115.29 122.49 1mg2 s HIS 56 Ca 0.03 -0.61 -0.05 0.00 -1.54 0.00 0.00 55.06 52.90 1mg2 s HIS 56 Cb -0.12 -1.05 -0.02 0.00 0.04 0.00 0.00 32.58 31.42 1mg2 s HIS 56 CO 0.02 -0.48 -0.01 -0.06 -2.34 0.00 0.00 174.74 171.87 1mg2 s PHE 57 N 1.82 3.03 0.85 3.88 0.40 -0.46 -1.20 117.98 126.31 1mg2 s PHE 57 Ca 0.03 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 1mg2 s PHE 57 Cb -0.14 -2.06 0.10 0.00 0.51 0.00 0.00 43.02 41.43 1mg2 s PHE 57 CO -0.07 -0.22 1.09 0.14 0.70 0.00 0.00 175.22 176.86 1mg2 s VAL 58 N 0.90 2.89 0.30 -0.44 -7.23 -1.26 0.13 120.40 115.69 1mg2 s VAL 58 Ca 0.01 0.29 -0.29 0.00 -1.81 0.00 0.00 61.98 60.18 1mg2 s VAL 58 Cb -0.14 -2.84 -0.13 0.00 0.56 0.00 0.00 36.38 33.83 1mg2 s VAL 58 CO 0.02 -0.38 1.28 0.00 -0.31 0.00 0.00 175.10 175.70 1mg2 n ALA 59 N -3.71 0.96 0.00 1.32 0.00 -1.26 -2.53 120.51 115.30 1mg2 n ALA 59 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1mg2 n ALA 59 Cb 0.55 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1mg2 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg2 n GLY 60 N 1.26 1.85 0.07 0.00 0.00 0.55 -4.86 105.19 104.06 1mg2 n GLY 60 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1mg2 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mg2 h VAL 61 N 0.00 0.74 -0.01 1.61 2.07 -1.79 -3.39 116.25 115.48 1mg2 h VAL 61 Ca 0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1mg2 h VAL 61 Cb 0.00 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1mg2 h VAL 61 CO 0.00 0.25 -0.65 0.18 0.02 0.00 0.00 177.57 177.37 1mg2 n LEU 62 N -4.65 1.49 0.00 2.57 4.77 -1.26 -4.85 117.00 115.07 1mg2 n LEU 62 Ca -0.09 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1mg2 n LEU 62 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1mg2 n LEU 62 CO 0.16 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1mg2 n GLY 63 N 1.40 -2.26 0.24 -0.72 0.00 -1.26 0.23 105.19 102.82 1mg2 n GLY 63 Ca 0.06 -1.22 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 1mg2 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mg2 h GLU 64 N 0.00 -0.06 -7.30 1.61 4.39 -1.96 0.16 114.58 111.42 1mg2 h GLU 64 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.21 1mg2 h GLU 64 Cb 0.00 0.01 0.06 0.00 -0.10 0.00 0.00 28.75 28.72 1mg2 h GLU 64 CO 0.00 -0.04 0.33 0.00 -1.16 0.00 0.00 179.01 178.14 1mg2 s ALA 65 N -4.83 3.11 0.69 3.43 0.00 -1.26 -2.17 121.76 120.74 1mg2 s ALA 65 Ca -0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1mg2 s ALA 65 Cb 0.06 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.28 1mg2 s ALA 65 CO 0.35 -0.81 1.06 0.00 0.00 0.00 0.00 175.76 176.35 1mg2 s ALA 66 N -3.15 2.74 -0.41 0.00 0.00 -1.26 -4.09 121.76 115.58 1mg2 s ALA 66 Ca 0.55 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1mg2 s ALA 66 Cb -0.11 -3.14 0.11 0.00 0.00 0.00 0.00 23.12 19.99 1mg2 s ALA 66 CO 0.50 -1.16 0.16 -1.17 0.00 0.00 0.00 175.76 174.10 1mg2 s LEU 67 N -5.48 4.92 -0.80 0.00 0.20 0.12 -4.85 118.68 112.78 1mg2 s LEU 67 Ca 0.58 -2.29 -0.18 0.00 0.69 0.00 0.00 54.13 52.93 1mg2 s LEU 67 Cb -0.13 -1.72 0.14 0.00 -0.43 0.00 0.00 46.19 44.05 1mg2 s LEU 67 CO 0.54 -0.42 0.92 -0.54 -0.29 0.00 0.00 176.35 176.57 1mg2 s LYS 68 N 0.74 3.43 0.70 1.98 1.02 -1.26 -1.35 119.74 125.00 1mg2 s LYS 68 Ca 0.11 -1.76 -0.16 0.00 0.02 0.00 0.00 55.97 54.19 1mg2 s LYS 68 Cb -0.21 -4.59 0.02 0.00 -0.52 0.00 0.00 37.83 32.53 1mg2 s LYS 68 CO -0.05 -1.60 1.20 0.20 -0.92 0.00 0.00 175.35 174.18 1mg2 s GLY 69 N 3.28 2.41 0.57 -3.33 0.00 -0.54 -4.98 107.32 104.74 1mg2 s GLY 69 Ca 0.23 0.88 -0.19 0.00 0.00 0.00 0.00 44.72 45.64 1mg2 s GLY 69 CO -0.04 1.28 1.16 2.56 0.00 0.00 0.00 173.10 178.07 1mg2 s PRO 70 N -3.82 3.15 -0.05 2.90 0.04 -1.26 -4.58 135.00 131.38 1mg2 s PRO 70 Ca 0.74 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 1mg2 s PRO 70 Cb -0.29 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1mg2 s PRO 70 CO 0.43 -1.03 1.33 -1.64 0.04 0.00 0.00 177.00 176.13 1mg2 s MET 71 N -3.35 4.29 -0.05 4.56 -1.94 -1.26 -4.57 119.30 116.97 1mg2 s MET 71 Ca 0.74 1.84 -0.20 0.00 -1.71 0.00 0.00 55.69 56.36 1mg2 s MET 71 Cb -0.27 -3.63 -0.05 0.00 2.01 0.00 0.00 34.83 32.90 1mg2 s MET 71 CO 0.30 -0.58 0.56 -1.64 -0.01 0.00 0.00 175.02 173.65 1mg2 s MET 72 N 2.66 4.32 0.62 2.03 -1.94 0.34 -4.90 119.30 122.43 1mg2 s MET 72 Ca 0.60 0.64 0.01 0.00 -1.71 0.00 0.00 55.69 55.23 1mg2 s MET 72 Cb -0.28 -3.38 0.07 0.00 2.01 0.00 0.00 34.83 33.25 1mg2 s MET 72 CO 0.23 0.27 0.86 0.15 -0.01 0.00 0.00 175.02 176.52 1mg2 s LYS 73 N 0.20 2.19 0.21 2.03 1.02 -1.26 -2.25 119.74 121.87 1mg2 s LYS 73 Ca 0.30 -0.97 -0.32 0.00 0.02 0.00 0.00 55.97 55.00 1mg2 s LYS 73 Cb -0.17 -2.44 -0.14 0.00 -0.52 0.00 0.00 37.83 34.56 1mg2 s LYS 73 CO 0.15 -1.01 1.29 1.17 -0.92 0.00 0.00 175.35 176.03 1mg2 n LYS 74 N -2.52 1.62 -1.39 1.68 4.81 -1.22 -1.26 118.16 119.88 1mg2 n LYS 74 Ca 0.11 0.58 -0.13 0.00 -0.87 0.00 0.00 58.31 58.00 1mg2 n LYS 74 Cb 0.60 -2.15 -0.06 0.00 0.02 0.00 0.00 35.03 33.44 1mg2 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mg2 n GLU 75 N 1.89 -0.91 -4.06 1.64 -0.58 -0.39 -5.02 120.64 113.21 1mg2 n GLU 75 Ca 0.13 0.95 -0.25 0.00 -0.42 0.00 0.00 57.16 57.57 1mg2 n GLU 75 Cb 0.28 -5.01 -0.05 0.00 -0.57 0.00 0.00 31.44 26.09 1mg2 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1mg2 s GLN 76 N -3.13 3.00 0.12 3.49 -0.21 -0.39 -1.01 119.66 121.53 1mg2 s GLN 76 Ca 0.00 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.57 1mg2 s GLN 76 Cb 0.00 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 1mg2 s GLN 76 CO 0.00 0.48 -0.10 0.00 -2.12 0.00 0.00 175.29 173.55 1mg2 s ALA 77 N -1.81 1.26 -0.08 6.09 0.00 0.20 -2.06 121.76 125.36 1mg2 s ALA 77 Ca 0.32 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1mg2 s ALA 77 Cb -0.10 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1mg2 s ALA 77 CO 0.24 -0.08 0.18 -0.47 0.00 0.00 0.00 175.76 175.64 1mg2 s TYR 78 N -2.97 -0.22 0.21 0.00 5.04 -0.29 -1.13 117.35 117.98 1mg2 s TYR 78 Ca 0.11 0.57 0.11 0.00 -2.44 0.00 0.00 57.07 55.42 1mg2 s TYR 78 Cb 0.01 0.00 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 1mg2 s TYR 78 CO -0.00 -0.16 -0.20 -1.12 -1.34 0.00 0.00 175.55 172.72 1mg2 s SER 79 N 0.87 3.62 -0.08 4.32 0.01 -1.26 -0.08 113.70 121.10 1mg2 s SER 79 Ca -0.06 -0.84 -0.04 0.00 1.31 0.00 0.00 55.95 56.32 1mg2 s SER 79 Cb -0.08 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.84 1mg2 s SER 79 CO -0.05 0.10 0.18 -0.76 0.41 0.00 0.00 173.24 173.13 1mg2 s LEU 80 N -2.84 0.67 -0.24 2.44 1.43 -0.35 -4.12 118.68 115.67 1mg2 s LEU 80 Ca 0.23 0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.62 1mg2 s LEU 80 Cb -0.08 0.51 -0.04 0.00 0.03 0.00 0.00 46.19 46.61 1mg2 s LEU 80 CO 0.12 -0.15 0.13 -0.89 0.23 0.00 0.00 176.35 175.79 1mg2 s THR 81 N 1.10 5.00 -0.25 5.49 2.01 -0.16 -0.63 115.64 128.19 1mg2 s THR 81 Ca -0.08 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 1mg2 s THR 81 Cb -0.10 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1mg2 s THR 81 CO -0.06 0.34 0.53 -0.36 -0.69 0.00 0.00 174.62 174.38 1mg2 s PHE 82 N 1.23 3.28 -1.63 4.92 0.40 -0.76 -0.67 117.98 124.76 1mg2 s PHE 82 Ca 0.06 0.68 0.22 0.00 -0.60 0.00 0.00 56.93 57.29 1mg2 s PHE 82 Cb -0.14 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.62 1mg2 s PHE 82 CO 0.05 -0.27 1.05 0.25 0.70 0.00 0.00 175.22 177.00 1mg2 n THR 83 N 5.11 0.00 -4.06 0.64 -2.24 -0.51 0.32 114.28 113.53 1mg2 n THR 83 Ca -0.04 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1mg2 n THR 83 Cb 0.50 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 1mg2 n THR 83 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mg2 s GLU 84 N -2.68 0.41 0.78 -0.78 2.02 -1.22 -4.75 118.70 112.48 1mg2 s GLU 84 Ca 0.15 -0.48 -0.11 0.00 0.02 0.00 0.00 54.97 54.55 1mg2 s GLU 84 Cb 0.17 -0.25 0.06 0.00 0.10 0.00 0.00 34.13 34.22 1mg2 s GLU 84 CO 0.68 0.05 1.09 0.00 0.02 0.00 0.00 175.26 177.10 1mg2 s ALA 85 N -0.86 2.20 0.00 5.21 0.00 -1.26 -4.80 121.76 122.25 1mg2 s ALA 85 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1mg2 s ALA 85 Cb -0.06 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1mg2 s ALA 85 CO -0.00 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.37 1mg2 n GLY 86 N -1.27 1.55 3.33 0.00 0.00 0.86 -4.92 105.19 104.74 1mg2 n GLY 86 Ca 0.09 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1mg2 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mg2 s THR 87 N -1.27 3.42 -0.27 2.61 2.01 -1.26 -0.05 115.64 120.82 1mg2 s THR 87 Ca 0.00 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1mg2 s THR 87 Cb 0.00 -2.55 0.05 0.00 0.01 0.00 0.00 72.50 70.00 1mg2 s THR 87 CO 0.00 0.43 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.99 1mg2 s TYR 88 N 1.38 3.20 0.41 4.92 2.02 -0.65 -4.97 117.35 123.66 1mg2 s TYR 88 Ca 0.05 -1.92 -0.12 0.00 -0.37 0.00 0.00 57.07 54.71 1mg2 s TYR 88 Cb -0.14 -2.03 -0.07 0.00 -0.40 0.00 0.00 41.96 39.31 1mg2 s TYR 88 CO -0.02 -0.81 0.79 -0.51 -1.57 0.00 0.00 175.55 173.43 1mg2 s ASP 89 N 1.23 6.56 0.23 2.29 1.11 -1.26 -1.45 116.67 125.37 1mg2 s ASP 89 Ca -0.05 1.19 -0.15 0.00 0.18 0.00 0.00 52.55 53.72 1mg2 s ASP 89 Cb -0.19 -2.35 0.01 0.00 1.07 0.00 0.00 42.92 41.46 1mg2 s ASP 89 CO -0.04 -0.40 0.52 -0.72 1.18 0.00 0.00 175.17 175.72 1mg2 s TYR 90 N -2.36 0.12 0.32 4.23 1.13 0.09 -4.62 117.35 116.27 1mg2 s TYR 90 Ca 0.52 -0.50 -0.08 0.00 -1.41 0.00 0.00 57.07 55.61 1mg2 s TYR 90 Cb -0.10 0.33 0.01 0.00 -1.10 0.00 0.00 41.96 41.10 1mg2 s TYR 90 CO 0.30 -1.00 0.52 -3.38 -2.51 0.00 0.00 175.55 169.48 1mg2 s HIS 91 N -3.95 0.71 -0.26 -3.49 -3.43 -0.34 -1.09 115.29 103.45 1mg2 s HIS 91 Ca 0.16 -1.05 -0.11 0.00 -0.80 0.00 0.00 55.06 53.25 1mg2 s HIS 91 Cb -0.01 0.14 -0.05 0.00 -1.43 0.00 0.00 32.58 31.22 1mg2 s HIS 91 CO 0.05 -1.16 0.19 0.00 -2.00 0.00 0.00 174.74 171.81 1mg2 h THR 93 N 5.20 0.11 0.00 0.00 2.02 -1.91 -0.50 112.91 117.83 1mg2 h THR 93 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1mg2 h THR 93 Cb 1.18 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1mg2 h THR 93 CO 0.61 0.00 -0.14 -0.81 0.37 0.00 0.00 175.52 175.55 1mg2 n PRO 94 N -5.46 0.21 -3.46 6.66 -0.04 -1.26 -4.26 135.00 127.39 1mg2 n PRO 94 Ca 0.07 0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.41 1mg2 n PRO 94 Cb 0.38 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 1mg2 n PRO 94 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1mg2 n HIS 95 N -2.06 2.46 0.07 0.54 8.25 -0.22 -4.94 115.22 119.31 1mg2 n HIS 95 Ca 0.05 -4.01 0.21 0.00 -0.26 0.00 0.00 57.72 53.72 1mg2 n HIS 95 Cb 0.41 -0.47 0.70 0.00 1.12 0.00 0.00 29.99 31.75 1mg2 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mg2 h PRO 96 N 4.45 0.00 0.00 -0.41 0.11 -1.66 0.32 132.00 134.80 1mg2 h PRO 96 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1mg2 h PRO 96 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1mg2 h PRO 96 CO 0.71 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.77 1mg2 h PHE 97 N 0.00 0.00 -3.59 0.65 -0.00 -1.92 -3.41 116.94 108.68 1mg2 h PHE 97 Ca 0.22 0.00 -0.62 0.00 -0.00 0.00 0.00 57.97 57.58 1mg2 h PHE 97 Cb 1.32 0.00 -0.12 0.00 -0.00 0.00 0.00 35.95 37.15 1mg2 h PHE 97 CO 0.00 0.00 0.39 -1.64 -0.00 0.00 0.00 178.31 177.06 1mg2 s MET 98 N -3.33 3.58 0.08 6.09 -1.94 0.11 -5.02 119.30 118.86 1mg2 s MET 98 Ca 0.04 0.11 0.04 0.00 -1.71 0.00 0.00 55.69 54.18 1mg2 s MET 98 Cb 0.09 -3.88 -0.03 0.00 2.01 0.00 0.00 34.83 33.03 1mg2 s MET 98 CO 0.43 -1.01 -0.12 1.03 -0.01 0.00 0.00 175.02 175.34 1mg2 s ARG 99 N 3.25 0.82 0.34 2.03 0.52 -1.26 -1.90 118.95 122.74 1mg2 s ARG 99 Ca 0.31 -1.03 -0.15 0.00 -0.52 0.00 0.00 55.73 54.34 1mg2 s ARG 99 Cb -0.12 -0.67 0.03 0.00 0.52 0.00 0.00 34.95 34.71 1mg2 s ARG 99 CO 0.20 0.13 0.70 0.20 0.02 0.00 0.00 175.30 176.55 1mg2 s GLY 100 N -2.04 0.40 0.03 -3.53 0.00 -0.25 -4.75 107.32 97.18 1mg2 s GLY 100 Ca 0.01 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 1mg2 s GLY 100 CO 0.01 -0.37 0.38 -1.59 0.00 0.00 0.00 173.10 171.53 1mg2 s LYS 101 N -3.04 0.85 -0.15 2.90 -2.85 0.54 -0.73 119.74 117.27 1mg2 s LYS 101 Ca 0.17 -0.33 0.01 0.00 -1.00 0.00 0.00 55.97 54.82 1mg2 s LYS 101 Cb -0.04 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 1mg2 s LYS 101 CO 0.11 -0.28 -0.17 0.08 0.10 0.00 0.00 175.35 175.19 1mg2 s VAL 102 N -2.20 1.75 -0.47 1.79 1.01 -0.53 -2.02 120.40 119.73 1mg2 s VAL 102 Ca -0.07 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1mg2 s VAL 102 Cb -0.02 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1mg2 s VAL 102 CO -0.01 0.49 0.44 -0.69 0.00 0.00 0.00 175.10 175.34 1mg2 s VAL 103 N 1.30 5.15 -0.25 2.92 1.01 0.14 -1.63 120.40 129.04 1mg2 s VAL 103 Ca 0.02 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1mg2 s VAL 103 Cb -0.13 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1mg2 s VAL 103 CO -0.09 -0.60 0.50 -0.69 0.00 0.00 0.00 175.10 174.22 1mg2 s VAL 104 N 1.89 5.09 0.00 2.92 1.01 0.92 -1.25 120.40 130.98 1mg2 s VAL 104 Ca 0.07 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1mg2 s VAL 104 Cb -0.22 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1mg2 s VAL 104 CO 0.08 0.11 0.42 -0.62 0.00 0.00 0.00 175.10 175.10