#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg3 n LYS 2 N 0.00 4.38 -3.62 -0.67 4.76 0.75 -4.90 118.16 118.87 1mg3 n LYS 2 Ca 0.00 -0.10 -0.07 0.00 -2.87 0.00 0.00 58.31 55.26 1mg3 n LYS 2 Cb 0.00 -0.55 -0.06 0.00 -1.84 0.00 0.00 35.03 32.58 1mg3 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mg3 s ALA 3 N -0.66 -2.03 0.36 7.82 0.00 -1.26 -0.92 121.76 125.08 1mg3 s ALA 3 Ca 0.00 1.75 0.07 0.00 0.00 0.00 0.00 51.96 53.78 1mg3 s ALA 3 Cb 0.00 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.81 1mg3 s ALA 3 CO 0.00 -0.23 0.50 0.95 0.00 0.00 0.00 175.76 176.98 1mg3 s THR 4 N -0.35 3.81 -0.42 0.00 -4.23 -0.88 -4.86 115.64 108.71 1mg3 s THR 4 Ca 0.03 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 1mg3 s THR 4 Cb -0.03 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1mg3 s THR 4 CO -0.06 -0.12 0.16 -0.63 -0.54 0.00 0.00 174.62 173.43 1mg3 s ILE 5 N -2.23 2.68 0.33 2.99 1.09 -1.26 -1.25 121.20 123.56 1mg3 s ILE 5 Ca 0.47 -2.57 0.11 0.00 -1.10 0.00 0.00 60.65 57.56 1mg3 s ILE 5 Cb -0.10 -2.89 0.36 0.00 -1.06 0.00 0.00 42.46 38.77 1mg3 s ILE 5 CO 0.32 -0.69 1.60 -0.65 -0.10 0.00 0.00 174.94 175.42 1mg3 h PRO 6 N 7.38 0.09 -3.20 2.79 0.11 -1.95 -3.38 132.00 133.84 1mg3 h PRO 6 Ca -0.06 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.80 1mg3 h PRO 6 Cb 0.99 -0.02 -0.32 0.00 0.11 0.00 0.00 31.00 31.76 1mg3 h PRO 6 CO 0.61 0.06 -0.58 -1.12 -0.21 0.00 0.00 178.00 176.76 1mg3 s SER 7 N -4.83 -0.07 0.20 -2.05 0.01 -1.26 -5.01 113.70 100.69 1mg3 s SER 7 Ca -0.11 0.34 0.25 0.00 1.31 0.00 0.00 55.95 57.75 1mg3 s SER 7 Cb 0.30 0.24 0.89 0.00 0.21 0.00 0.00 66.02 67.67 1mg3 s SER 7 CO 0.78 -0.16 1.76 -0.62 0.41 0.00 0.00 173.24 175.41 1mg3 n GLU 8 N 4.31 0.21 -4.37 12.44 4.71 -1.26 -4.65 120.64 132.04 1mg3 n GLU 8 Ca -0.24 0.26 -0.29 0.00 -0.01 0.00 0.00 57.16 56.88 1mg3 n GLU 8 Cb 0.52 -1.79 -0.12 0.00 -1.01 0.00 0.00 31.44 29.03 1mg3 n GLU 8 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1mg3 s SER 9 N -4.25 3.50 0.62 1.62 0.01 -1.26 -4.66 113.70 109.27 1mg3 s SER 9 Ca 0.09 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 56.46 1mg3 s SER 9 Cb 0.12 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 1mg3 s SER 9 CO 0.52 0.17 1.21 -2.84 0.41 0.00 0.00 173.24 172.71 1mg3 s PRO 10 N -2.17 2.83 0.25 12.44 0.02 -1.26 -4.84 135.00 142.28 1mg3 s PRO 10 Ca 0.16 1.82 0.03 0.00 0.02 0.00 0.00 61.00 63.03 1mg3 s PRO 10 Cb -0.10 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 1mg3 s PRO 10 CO 0.08 -1.31 0.03 -0.59 -0.33 0.00 0.00 177.00 174.87 1mg3 s PHE 11 N -1.66 1.63 0.56 6.54 -0.71 -1.05 -4.85 117.98 118.45 1mg3 s PHE 11 Ca 0.77 -0.98 -0.21 0.00 -1.04 0.00 0.00 56.93 55.48 1mg3 s PHE 11 Cb -0.30 -0.97 -0.05 0.00 -1.21 0.00 0.00 43.02 40.48 1mg3 s PHE 11 CO 0.35 -0.09 1.21 0.00 -1.34 0.00 0.00 175.22 175.36 1mg3 n ALA 12 N -0.48 1.01 0.22 1.99 0.00 -1.26 0.63 120.51 122.62 1mg3 n ALA 12 Ca -0.04 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1mg3 n ALA 12 Cb 0.65 -2.26 0.51 0.00 0.00 0.00 0.00 19.45 18.35 1mg3 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mg3 h ALA 13 N 1.08 1.35 -0.36 0.00 0.00 -1.70 -2.77 119.26 116.85 1mg3 h ALA 13 Ca -0.50 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1mg3 h ALA 13 Cb 1.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1mg3 h ALA 13 CO 0.55 0.31 -0.14 0.00 0.00 0.00 0.00 179.25 179.97 1mg3 h ALA 14 N 1.75 1.09 0.00 0.00 0.00 -1.90 -2.85 119.26 117.35 1mg3 h ALA 14 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mg3 h ALA 14 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1mg3 h ALA 14 CO 0.03 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.23 1mg3 n GLU 15 N -4.17 0.65 -3.36 0.00 1.02 -1.04 -4.72 120.64 109.02 1mg3 n GLU 15 Ca 0.01 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 1mg3 n GLU 15 Cb 0.36 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.64 1mg3 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mg3 s VAL 16 N -1.82 5.16 -0.69 2.62 1.01 -1.08 -4.98 120.40 120.63 1mg3 s VAL 16 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1mg3 s VAL 16 Cb 0.00 -3.74 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 1mg3 s VAL 16 CO 0.00 0.19 2.52 0.00 0.00 0.00 0.00 175.10 177.81 1mg3 n ALA 17 N 4.95 0.59 -0.91 5.51 0.00 -1.26 -4.73 120.51 124.67 1mg3 n ALA 17 Ca -0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 1mg3 n ALA 17 Cb 0.51 -2.79 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 1mg3 n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mg3 n ASP 18 N 13.38 0.76 0.00 0.00 10.43 -1.26 -0.23 116.55 139.63 1mg3 n ASP 18 Ca 0.49 -2.25 0.00 0.00 2.57 0.00 0.00 54.79 55.60 1mg3 n ASP 18 Cb 0.32 -0.84 0.00 0.00 1.84 0.00 0.00 41.12 42.43 1mg3 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mg3 n GLY 19 N 5.19 0.00 3.78 0.44 0.00 -1.26 -5.17 105.19 108.17 1mg3 n GLY 19 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 1mg3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg3 s ALA 20 N 0.00 3.50 -0.10 4.61 0.00 0.68 -5.06 121.76 125.39 1mg3 s ALA 20 Ca 0.00 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.15 1mg3 s ALA 20 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1mg3 s ALA 20 CO 0.00 0.22 1.72 0.42 0.00 0.00 0.00 175.76 178.12 1mg3 s ILE 21 N -2.21 3.51 -0.04 0.00 1.01 -1.26 -4.98 121.20 117.23 1mg3 s ILE 21 Ca 0.33 0.60 0.03 0.00 0.00 0.00 0.00 60.65 61.61 1mg3 s ILE 21 Cb -0.07 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1mg3 s ILE 21 CO 0.24 -0.11 -0.13 -0.69 0.00 0.00 0.00 174.94 174.25 1mg3 s VAL 22 N 4.68 1.11 -0.32 2.92 1.01 -1.26 -1.44 120.40 127.11 1mg3 s VAL 22 Ca 0.77 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1mg3 s VAL 22 Cb -0.32 -0.97 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1mg3 s VAL 22 CO 0.31 0.33 0.04 -0.69 0.00 0.00 0.00 175.10 175.09 1mg3 s VAL 23 N 0.14 3.29 0.32 2.92 1.01 -0.65 -4.95 120.40 122.49 1mg3 s VAL 23 Ca -0.04 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 60.38 1mg3 s VAL 23 Cb -0.10 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 1mg3 s VAL 23 CO 0.01 -0.14 1.00 -1.81 0.00 0.00 0.00 175.10 174.16 1mg3 s ASP 24 N 1.32 7.23 -0.21 3.32 1.01 -1.26 -1.60 116.67 126.47 1mg3 s ASP 24 Ca -0.04 1.98 0.01 0.00 0.71 0.00 0.00 52.55 55.22 1mg3 s ASP 24 Cb -0.20 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.18 1mg3 s ASP 24 CO 0.00 -0.15 -0.12 -0.63 0.21 0.00 0.00 175.17 174.48 1mg3 s ILE 25 N -1.48 1.84 0.21 0.77 1.01 0.85 -1.77 121.20 122.63 1mg3 s ILE 25 Ca 0.50 -1.15 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 1mg3 s ILE 25 Cb -0.23 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.40 1mg3 s ILE 25 CO 0.29 0.19 0.57 0.00 0.00 0.00 0.00 174.94 175.99 1mg3 s ALA 26 N 1.31 -1.07 -1.40 9.38 0.00 -0.93 -0.50 121.76 128.55 1mg3 s ALA 26 Ca -0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 1mg3 s ALA 26 Cb -0.17 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1mg3 s ALA 26 CO -0.08 -0.85 0.35 1.63 0.00 0.00 0.00 175.76 176.80 1mg3 n LYS 27 N -0.37 -1.69 -4.14 0.00 4.01 -1.26 -1.60 118.16 113.11 1mg3 n LYS 27 Ca -0.10 0.24 -0.35 0.00 -0.51 0.00 0.00 58.31 57.60 1mg3 n LYS 27 Cb 0.62 -3.79 -0.01 0.00 -0.51 0.00 0.00 35.03 31.33 1mg3 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1mg3 n MET 28 N -4.56 -3.75 -3.46 1.97 2.81 -1.26 -4.95 117.12 103.91 1mg3 n MET 28 Ca -0.26 0.43 -0.11 0.00 -1.81 0.00 0.00 57.70 55.95 1mg3 n MET 28 Cb 0.66 -5.18 -0.02 0.00 -0.71 0.00 0.00 33.22 27.97 1mg3 n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1mg3 s LYS 29 N -6.85 1.21 -0.68 0.03 -2.85 -0.63 -4.86 119.74 105.12 1mg3 s LYS 29 Ca 0.71 -0.46 -0.18 0.00 -1.00 0.00 0.00 55.97 55.03 1mg3 s LYS 29 Cb -0.38 0.55 0.12 0.00 -2.06 0.00 0.00 37.83 36.06 1mg3 s LYS 29 CO 0.90 -0.53 0.79 0.71 0.10 0.00 0.00 175.35 177.32 1mg3 s TYR 30 N -3.63 3.12 0.56 1.78 2.02 -1.26 -2.18 117.35 117.76 1mg3 s TYR 30 Ca 0.02 -1.17 0.43 0.00 -0.37 0.00 0.00 57.07 55.99 1mg3 s TYR 30 Cb -0.01 -4.04 1.58 0.00 -0.40 0.00 0.00 41.96 39.09 1mg3 s TYR 30 CO -0.11 -1.29 1.61 0.93 -1.57 0.00 0.00 175.55 175.11 1mg3 h GLU 31 N 8.94 0.00 -2.82 -0.62 4.39 -1.66 -2.34 114.58 120.47 1mg3 h GLU 31 Ca -0.17 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.92 1mg3 h GLU 31 Cb 1.07 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.31 1mg3 h GLU 31 CO 1.06 0.00 -0.64 2.41 -1.16 0.00 0.00 179.01 180.68 1mg3 n THR 32 N -3.90 1.35 0.29 1.13 -1.04 -1.26 -4.94 114.28 105.90 1mg3 n THR 32 Ca 0.36 -4.73 0.16 0.00 -2.04 0.00 0.00 64.05 57.80 1mg3 n THR 32 Cb 1.72 -2.10 0.88 0.00 -1.82 0.00 0.00 70.33 69.01 1mg3 n THR 32 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1mg3 h PRO 33 N 5.18 0.00 -2.28 -2.82 0.13 -1.74 -3.32 132.00 127.15 1mg3 h PRO 33 Ca 0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.71 1mg3 h PRO 33 Cb 0.76 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.48 1mg3 h PRO 33 CO 0.69 0.05 -0.77 -1.91 -0.23 0.00 0.00 178.00 175.83 1mg3 n GLU 34 N -3.48 1.73 -2.49 0.86 2.13 -1.26 0.13 120.64 118.26 1mg3 n GLU 34 Ca -0.02 -4.11 -0.41 0.00 0.66 0.00 0.00 57.16 53.27 1mg3 n GLU 34 Cb 0.17 -1.92 -0.03 0.00 0.27 0.00 0.00 31.44 29.93 1mg3 n GLU 34 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1mg3 s LEU 35 N -1.76 4.43 -0.16 4.31 0.20 -0.85 -4.88 118.68 119.97 1mg3 s LEU 35 Ca 0.36 2.03 -0.01 0.00 0.69 0.00 0.00 54.13 57.19 1mg3 s LEU 35 Cb 0.12 -3.59 -0.01 0.00 -0.43 0.00 0.00 46.19 42.28 1mg3 s LEU 35 CO -0.08 -0.32 -0.10 -1.00 -0.29 0.00 0.00 176.35 174.56 1mg3 s HIS 36 N 0.37 2.87 0.32 5.38 3.76 -1.26 0.52 115.29 127.25 1mg3 s HIS 36 Ca 0.53 -0.76 0.07 0.00 -0.15 0.00 0.00 55.06 54.75 1mg3 s HIS 36 Cb -0.29 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 1mg3 s HIS 36 CO 0.32 -0.33 0.24 1.33 -0.85 0.00 0.00 174.74 175.45 1mg3 n VAL 37 N 3.96 0.00 -4.39 -0.90 0.24 0.55 -4.97 118.33 112.82 1mg3 n VAL 37 Ca -0.18 -2.25 -0.30 0.00 -2.04 0.00 0.00 64.34 59.57 1mg3 n VAL 37 Cb 0.52 1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 33.86 1mg3 n VAL 37 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1mg3 s LYS 38 N -3.28 2.02 -0.26 7.34 3.01 -1.26 0.53 119.74 127.84 1mg3 s LYS 38 Ca 0.35 -1.05 -0.42 0.00 -1.01 0.00 0.00 55.97 53.84 1mg3 s LYS 38 Cb 0.02 -2.22 -0.17 0.00 -1.01 0.00 0.00 37.83 34.44 1mg3 s LYS 38 CO 0.24 0.51 1.58 0.28 0.51 0.00 0.00 175.35 178.48 1mg3 n VAL 39 N 1.03 0.15 0.00 3.17 0.31 -0.21 -0.23 118.33 122.55 1mg3 n VAL 39 Ca -0.15 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1mg3 n VAL 39 Cb 0.52 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1mg3 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mg3 n GLY 40 N 3.63 2.84 3.71 2.92 0.00 0.94 -4.99 105.19 114.23 1mg3 n GLY 40 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1mg3 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mg3 s ASP 41 N -1.24 3.84 -0.29 1.61 -0.00 0.67 -4.73 116.67 116.52 1mg3 s ASP 41 Ca 0.00 2.34 0.02 0.00 -0.00 0.00 0.00 52.55 54.91 1mg3 s ASP 41 Cb 0.00 -2.59 0.07 0.00 -0.00 0.00 0.00 42.92 40.40 1mg3 s ASP 41 CO 0.00 -2.50 -0.05 -0.89 -0.00 0.00 0.00 175.17 171.73 1mg3 s THR 42 N -2.12 2.41 0.02 -1.27 2.01 -1.26 -2.17 115.64 113.25 1mg3 s THR 42 Ca 0.73 -1.73 -0.26 0.00 0.31 0.00 0.00 61.69 60.74 1mg3 s THR 42 Cb -0.28 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 1mg3 s THR 42 CO 0.49 -0.18 0.81 -0.69 -0.69 0.00 0.00 174.62 174.36 1mg3 s VAL 43 N 1.10 4.81 -0.27 3.82 1.01 -0.36 -4.22 120.40 126.30 1mg3 s VAL 43 Ca -0.04 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.67 1mg3 s VAL 43 Cb -0.20 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1mg3 s VAL 43 CO -0.05 0.29 -0.03 -0.89 0.00 0.00 0.00 175.10 174.42 1mg3 s THR 44 N 0.36 1.76 0.23 3.92 2.01 -0.52 -1.24 115.64 122.16 1mg3 s THR 44 Ca 0.42 -1.55 -0.28 0.00 0.31 0.00 0.00 61.69 60.59 1mg3 s THR 44 Cb -0.20 -2.07 -0.09 0.00 0.01 0.00 0.00 72.50 70.15 1mg3 s THR 44 CO 0.23 -0.23 0.89 0.26 -0.69 0.00 0.00 174.62 175.08 1mg3 s TRP 45 N 1.25 3.91 -0.05 4.92 0.51 -0.75 -1.63 118.94 127.10 1mg3 s TRP 45 Ca -0.02 1.80 0.00 0.00 -2.12 0.00 0.00 56.10 55.76 1mg3 s TRP 45 Cb -0.19 -2.90 0.03 0.00 -0.81 0.00 0.00 33.47 29.60 1mg3 s TRP 45 CO -0.08 0.43 -0.02 0.42 -0.51 0.00 0.00 176.95 177.20 1mg3 s ILE 46 N -1.25 0.37 -0.34 2.03 1.01 -0.63 -2.62 121.20 119.77 1mg3 s ILE 46 Ca 0.41 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.90 1mg3 s ILE 46 Cb -0.24 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 1mg3 s ILE 46 CO 0.29 0.21 0.55 0.21 0.00 0.00 0.00 174.94 176.20 1mg3 s ASN 47 N 1.31 6.37 -0.06 3.58 2.47 -1.06 -0.10 114.94 127.44 1mg3 s ASN 47 Ca -0.05 0.09 0.15 0.00 0.42 0.00 0.00 52.86 53.48 1mg3 s ASN 47 Cb -0.13 -2.29 0.55 0.00 -1.45 0.00 0.00 41.25 37.93 1mg3 s ASN 47 CO -0.02 -0.49 1.44 0.54 -3.72 0.00 0.00 177.10 174.85 1mg3 n ARG 48 N 5.81 2.93 -4.19 0.43 3.00 0.35 0.06 116.66 125.05 1mg3 n ARG 48 Ca -0.04 -2.20 -0.14 0.00 -0.01 0.00 0.00 57.85 55.46 1mg3 n ARG 48 Cb 0.49 -1.67 -0.11 0.00 0.00 0.00 0.00 32.46 31.17 1mg3 n ARG 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1mg3 s GLU 49 N -1.63 0.88 0.50 5.56 -1.05 -1.25 -4.83 118.70 116.87 1mg3 s GLU 49 Ca 0.40 -1.19 0.21 0.00 -0.15 0.00 0.00 54.97 54.23 1mg3 s GLU 49 Cb 0.24 -0.56 1.27 0.00 -0.44 0.00 0.00 34.13 34.65 1mg3 s GLU 49 CO 0.21 0.08 2.01 0.00 0.95 0.00 0.00 175.26 178.52 1mg3 h ALA 50 N 3.48 2.29 -2.19 -0.84 0.00 -1.96 -3.25 119.26 116.79 1mg3 h ALA 50 Ca -0.37 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 1mg3 h ALA 50 Cb 1.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1mg3 h ALA 50 CO 0.54 -0.41 1.16 1.41 0.00 0.00 0.00 179.25 181.95 1mg3 s MET 51 N -5.13 3.96 0.46 0.00 0.00 -1.26 -4.62 119.30 112.70 1mg3 s MET 51 Ca -0.06 2.09 -0.25 0.00 0.00 0.00 0.00 55.69 57.48 1mg3 s MET 51 Cb 0.19 -4.07 -0.08 0.00 0.00 0.00 0.00 34.83 30.88 1mg3 s MET 51 CO 0.73 -1.12 1.35 -2.14 0.00 0.00 0.00 175.02 173.84 1mg3 s PRO 52 N 4.52 3.66 0.09 4.11 0.02 -1.26 -4.83 135.00 141.32 1mg3 s PRO 52 Ca 0.78 2.25 -0.10 0.00 0.02 0.00 0.00 61.00 63.95 1mg3 s PRO 52 Cb -0.32 -2.58 0.01 0.00 0.02 0.00 0.00 34.50 31.62 1mg3 s PRO 52 CO 0.32 -0.78 0.23 -1.01 -0.33 0.00 0.00 177.00 175.44 1mg3 s HIS 53 N -1.27 0.07 0.23 6.54 3.76 -1.04 -4.96 115.29 118.63 1mg3 s HIS 53 Ca 0.62 -0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.06 1mg3 s HIS 53 Cb -0.40 0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.30 1mg3 s HIS 53 CO 0.51 -0.57 0.32 0.27 -0.85 0.00 0.00 174.74 174.42 1mg3 n ASN 54 N -0.03 -0.90 -4.25 1.40 6.94 -1.26 0.10 115.26 117.26 1mg3 n ASN 54 Ca -0.16 -2.25 -0.27 0.00 -0.02 0.00 0.00 54.58 51.88 1mg3 n ASN 54 Cb 0.62 1.68 -0.15 0.00 -2.36 0.00 0.00 39.78 39.57 1mg3 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1mg3 s VAL 55 N -2.68 1.72 -0.15 3.53 -7.23 -1.26 -4.51 120.40 109.82 1mg3 s VAL 55 Ca 0.19 -1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1mg3 s VAL 55 Cb -0.01 -1.46 0.07 0.00 0.56 0.00 0.00 36.38 35.55 1mg3 s VAL 55 CO 0.14 0.36 0.18 -2.28 -0.31 0.00 0.00 175.10 173.19 1mg3 s HIS 56 N -0.64 -0.17 -0.22 2.82 5.04 -0.28 -2.33 115.29 119.51 1mg3 s HIS 56 Ca 0.08 0.31 -0.08 0.00 -1.54 0.00 0.00 55.06 53.83 1mg3 s HIS 56 Cb -0.09 -0.37 -0.04 0.00 0.04 0.00 0.00 32.58 32.13 1mg3 s HIS 56 CO 0.00 -0.45 0.08 -0.06 -2.34 0.00 0.00 174.74 171.97 1mg3 s PHE 57 N 2.29 3.19 1.23 3.88 0.40 -0.05 -1.87 117.98 127.04 1mg3 s PHE 57 Ca 0.04 -0.08 -0.14 0.00 -0.60 0.00 0.00 56.93 56.15 1mg3 s PHE 57 Cb -0.14 -2.17 0.31 0.00 0.51 0.00 0.00 43.02 41.53 1mg3 s PHE 57 CO -0.09 -0.05 1.00 0.14 0.70 0.00 0.00 175.22 176.92 1mg3 s VAL 58 N 0.95 1.92 0.43 -0.44 -7.23 -1.26 -0.15 120.40 114.62 1mg3 s VAL 58 Ca 0.04 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 59.97 1mg3 s VAL 58 Cb -0.14 -2.02 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 1mg3 s VAL 58 CO 0.03 0.00 1.16 0.00 -0.31 0.00 0.00 175.10 175.98 1mg3 s ALA 59 N -2.38 3.05 0.00 1.32 0.00 -1.26 -2.94 121.76 119.55 1mg3 s ALA 59 Ca 0.69 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1mg3 s ALA 59 Cb -0.24 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1mg3 s ALA 59 CO 0.65 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1mg3 n GLY 60 N 0.51 1.42 0.00 0.00 0.00 0.00 -4.84 105.19 102.28 1mg3 n GLY 60 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1mg3 n GLY 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mg3 n VAL 61 N -2.00 0.00 0.21 1.61 0.31 -1.15 -4.63 118.33 112.68 1mg3 n VAL 61 Ca 0.00 0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.42 1mg3 n VAL 61 Cb 0.00 -0.04 0.43 0.00 -0.91 0.00 0.00 33.84 33.32 1mg3 n VAL 61 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1mg3 h LEU 62 N 0.00 0.00 -7.94 7.52 3.38 -1.90 -3.46 115.31 112.90 1mg3 h LEU 62 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1mg3 h LEU 62 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1mg3 h LEU 62 CO 0.00 0.30 0.37 -0.83 0.09 0.00 0.00 178.44 178.37 1mg3 s GLY 63 N -4.31 0.15 0.38 0.83 0.00 -1.26 -0.18 107.32 102.94 1mg3 s GLY 63 Ca -0.00 -0.46 0.14 0.00 0.00 0.00 0.00 44.72 44.39 1mg3 s GLY 63 CO 0.66 0.47 1.84 -2.09 0.00 0.00 0.00 173.10 173.98 1mg3 h GLU 64 N 2.00 0.00 -5.33 2.90 4.57 -1.90 0.05 114.58 116.87 1mg3 h GLU 64 Ca -0.28 0.00 -0.63 0.00 -1.18 0.00 0.00 59.36 57.27 1mg3 h GLU 64 Cb 1.24 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.69 1mg3 h GLU 64 CO 0.35 0.35 0.01 0.00 -1.18 0.00 0.00 179.01 178.54 1mg3 s ALA 65 N -4.20 3.51 0.49 2.92 0.00 -1.26 -3.14 121.76 120.08 1mg3 s ALA 65 Ca -0.03 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 1mg3 s ALA 65 Cb 0.14 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 1mg3 s ALA 65 CO 0.72 -1.10 0.63 0.00 0.00 0.00 0.00 175.76 176.00 1mg3 n ALA 66 N 5.76 -1.02 -2.85 0.00 0.00 -1.26 -4.77 120.51 116.37 1mg3 n ALA 66 Ca -0.04 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1mg3 n ALA 66 Cb 0.49 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 17.98 1mg3 n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mg3 s LEU 67 N 0.85 3.72 -0.53 0.00 0.20 0.79 -4.86 118.68 118.86 1mg3 s LEU 67 Ca 0.66 0.03 0.07 0.00 0.69 0.00 0.00 54.13 55.58 1mg3 s LEU 67 Cb -0.52 -1.94 0.30 0.00 -0.43 0.00 0.00 46.19 43.60 1mg3 s LEU 67 CO 0.56 0.16 0.78 0.29 -0.29 0.00 0.00 176.35 177.85 1mg3 n LYS 68 N 3.66 2.24 -1.19 1.98 5.02 -1.26 -0.87 118.16 127.73 1mg3 n LYS 68 Ca -0.17 -4.29 -0.38 0.00 -2.02 0.00 0.00 58.31 51.45 1mg3 n LYS 68 Cb 0.52 -1.99 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1mg3 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mg3 n GLY 69 N 0.43 -3.34 3.73 0.72 0.00 -0.99 -4.90 105.19 100.84 1mg3 n GLY 69 Ca 0.28 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1mg3 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mg3 s PRO 70 N -1.49 2.18 -0.39 1.61 0.04 -1.26 -4.49 135.00 131.19 1mg3 s PRO 70 Ca 0.54 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 1mg3 s PRO 70 Cb -0.40 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1mg3 s PRO 70 CO 0.69 -1.79 1.15 -1.64 0.04 0.00 0.00 177.00 175.44 1mg3 s MET 71 N -3.96 3.88 0.67 4.56 -1.94 -1.26 -4.46 119.30 116.79 1mg3 s MET 71 Ca 0.73 0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 55.47 1mg3 s MET 71 Cb -0.28 -3.84 -0.01 0.00 2.01 0.00 0.00 34.83 32.71 1mg3 s MET 71 CO 0.45 -1.17 1.05 -1.64 -0.01 0.00 0.00 175.02 173.71 1mg3 s MET 72 N 4.12 3.10 0.37 2.03 -1.94 0.28 -4.82 119.30 122.45 1mg3 s MET 72 Ca 0.49 0.94 0.08 0.00 -1.71 0.00 0.00 55.69 55.48 1mg3 s MET 72 Cb -0.11 -2.01 -0.07 0.00 2.01 0.00 0.00 34.83 34.65 1mg3 s MET 72 CO 0.24 -0.97 -0.03 0.15 -0.01 0.00 0.00 175.02 174.40 1mg3 s LYS 73 N -4.98 1.84 -0.18 2.03 1.02 -1.26 -2.49 119.74 115.72 1mg3 s LYS 73 Ca 0.58 -2.00 -0.42 0.00 0.02 0.00 0.00 55.97 54.15 1mg3 s LYS 73 Cb -0.14 -1.54 -0.19 0.00 -0.52 0.00 0.00 37.83 35.44 1mg3 s LYS 73 CO 0.53 0.01 1.36 1.17 -0.92 0.00 0.00 175.35 177.50 1mg3 n LYS 74 N -0.84 0.30 -2.02 1.68 4.81 -1.23 -0.03 118.16 120.83 1mg3 n LYS 74 Ca -0.05 0.11 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 1mg3 n LYS 74 Cb 0.65 -1.65 -0.01 0.00 0.02 0.00 0.00 35.03 34.04 1mg3 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mg3 n GLU 75 N 2.91 -0.88 -4.99 1.64 -0.58 0.11 -5.00 120.64 113.85 1mg3 n GLU 75 Ca 0.24 0.63 -0.31 0.00 -0.42 0.00 0.00 57.16 57.30 1mg3 n GLU 75 Cb 0.06 -4.72 -0.15 0.00 -0.57 0.00 0.00 31.44 26.06 1mg3 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1mg3 s GLN 76 N -4.21 2.02 0.00 3.49 -0.21 0.95 -1.79 119.66 119.91 1mg3 s GLN 76 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.39 1mg3 s GLN 76 Cb 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1mg3 s GLN 76 CO 0.00 0.54 0.00 0.00 -2.12 0.00 0.00 175.29 173.71 1mg3 n ALA 77 N 2.00 0.00 0.00 6.09 0.00 0.21 -2.57 120.51 126.24 1mg3 n ALA 77 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1mg3 n ALA 77 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1mg3 n ALA 77 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1mg3 n TYR 78 N -0.35 0.00 -4.38 0.00 9.36 -1.08 -2.52 117.16 118.19 1mg3 n TYR 78 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 1mg3 n TYR 78 Cb 0.00 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.62 1mg3 n TYR 78 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1mg3 s SER 79 N 0.00 4.13 -0.11 2.98 0.01 -1.26 -1.80 113.70 117.64 1mg3 s SER 79 Ca 0.00 -1.17 -0.07 0.00 1.31 0.00 0.00 55.95 56.02 1mg3 s SER 79 Cb 0.00 -0.45 0.04 0.00 0.21 0.00 0.00 66.02 65.82 1mg3 s SER 79 CO 0.00 -0.42 0.28 -0.76 0.41 0.00 0.00 173.24 172.75 1mg3 s LEU 80 N -3.77 0.50 -0.59 2.44 1.43 -0.37 -4.26 118.68 114.06 1mg3 s LEU 80 Ca 0.37 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 1mg3 s LEU 80 Cb 0.05 0.90 0.15 0.00 0.03 0.00 0.00 46.19 47.32 1mg3 s LEU 80 CO 0.20 -0.15 0.48 -0.89 0.23 0.00 0.00 176.35 176.22 1mg3 s THR 81 N 0.93 4.64 0.14 5.49 2.01 -0.38 -1.22 115.64 127.24 1mg3 s THR 81 Ca -0.06 -2.07 -0.31 0.00 0.31 0.00 0.00 61.69 59.55 1mg3 s THR 81 Cb -0.07 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 1mg3 s THR 81 CO -0.06 -0.87 1.54 -0.36 -0.69 0.00 0.00 174.62 174.18 1mg3 s PHE 82 N 0.91 3.01 -0.17 4.92 0.40 -0.92 -2.08 117.98 124.05 1mg3 s PHE 82 Ca 0.10 0.66 0.14 0.00 -0.60 0.00 0.00 56.93 57.22 1mg3 s PHE 82 Cb -0.22 -3.87 0.42 0.00 0.51 0.00 0.00 43.02 39.85 1mg3 s PHE 82 CO -0.02 -3.24 1.21 0.25 0.70 0.00 0.00 175.22 174.11 1mg3 n THR 83 N 4.09 1.81 -3.59 0.64 -2.24 -0.09 -0.04 114.28 114.87 1mg3 n THR 83 Ca 0.14 -2.83 -0.15 0.00 -2.27 0.00 0.00 64.05 58.94 1mg3 n THR 83 Cb 0.40 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1mg3 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mg3 s GLU 84 N -2.66 0.86 0.73 -0.78 2.12 -1.25 -4.86 118.70 112.86 1mg3 s GLU 84 Ca 0.37 0.61 -0.13 0.00 0.36 0.00 0.00 54.97 56.18 1mg3 s GLU 84 Cb 0.37 0.41 0.03 0.00 0.26 0.00 0.00 34.13 35.21 1mg3 s GLU 84 CO -0.08 -0.19 1.11 0.00 -0.54 0.00 0.00 175.26 175.55 1mg3 s ALA 85 N -0.34 2.31 0.00 6.30 0.00 -1.26 -4.73 121.76 124.04 1mg3 s ALA 85 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1mg3 s ALA 85 Cb -0.03 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1mg3 s ALA 85 CO 0.04 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.61 1mg3 n GLY 86 N -0.78 0.88 3.19 0.00 0.00 -0.44 -4.94 105.19 103.10 1mg3 n GLY 86 Ca 0.10 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1mg3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mg3 s THR 87 N -1.07 2.21 -0.30 2.61 2.01 -1.26 -0.68 115.64 119.17 1mg3 s THR 87 Ca 0.00 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1mg3 s THR 87 Cb 0.00 -1.90 0.07 0.00 0.01 0.00 0.00 72.50 70.68 1mg3 s THR 87 CO 0.00 0.54 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.13 1mg3 s TYR 88 N 0.85 3.41 0.62 4.92 2.02 -0.66 -4.97 117.35 123.54 1mg3 s TYR 88 Ca -0.06 -2.41 -0.10 0.00 -0.37 0.00 0.00 57.07 54.13 1mg3 s TYR 88 Cb -0.15 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1mg3 s TYR 88 CO -0.02 -0.89 1.01 -0.51 -1.57 0.00 0.00 175.55 173.57 1mg3 s ASP 89 N 1.13 6.04 0.15 2.29 1.11 -1.26 -1.76 116.67 124.37 1mg3 s ASP 89 Ca -0.02 1.26 -0.24 0.00 0.18 0.00 0.00 52.55 53.73 1mg3 s ASP 89 Cb -0.20 -2.29 0.07 0.00 1.07 0.00 0.00 42.92 41.57 1mg3 s ASP 89 CO -0.05 -0.94 0.69 -0.72 1.18 0.00 0.00 175.17 175.32 1mg3 s TYR 90 N -3.16 -0.43 0.24 4.23 1.13 -0.02 -4.67 117.35 114.67 1mg3 s TYR 90 Ca 0.55 0.19 -0.00 0.00 -1.41 0.00 0.00 57.07 56.40 1mg3 s TYR 90 Cb -0.11 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1mg3 s TYR 90 CO 0.52 -0.86 0.21 -3.38 -2.51 0.00 0.00 175.55 169.53 1mg3 s HIS 91 N -3.65 1.22 0.01 -3.49 -3.43 -0.78 -0.65 115.29 104.52 1mg3 s HIS 91 Ca 0.04 -1.38 -0.16 0.00 -0.80 0.00 0.00 55.06 52.75 1mg3 s HIS 91 Cb -0.02 -0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 30.56 1mg3 s HIS 91 CO -0.08 -0.74 0.46 0.00 -2.00 0.00 0.00 174.74 172.37 1mg3 h THR 93 N 3.76 0.00 0.00 0.00 2.02 -1.91 -1.91 112.91 114.86 1mg3 h THR 93 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1mg3 h THR 93 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1mg3 h THR 93 CO 0.63 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.71 1mg3 n PRO 94 N -4.81 0.16 -3.08 6.66 -0.04 -1.26 -3.89 135.00 128.75 1mg3 n PRO 94 Ca -0.12 0.21 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 1mg3 n PRO 94 Cb 0.41 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.10 1mg3 n PRO 94 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1mg3 n HIS 95 N -2.01 2.90 0.22 0.54 8.25 -1.18 -4.93 115.22 119.01 1mg3 n HIS 95 Ca 0.05 -3.96 0.07 0.00 -0.26 0.00 0.00 57.72 53.63 1mg3 n HIS 95 Cb 0.35 -0.48 0.39 0.00 1.12 0.00 0.00 29.99 31.38 1mg3 n HIS 95 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mg3 h PRO 96 N 3.20 0.00 0.00 -0.41 0.13 -1.46 0.24 132.00 133.71 1mg3 h PRO 96 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1mg3 h PRO 96 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1mg3 h PRO 96 CO 0.73 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.47 1mg3 n PHE 97 N -2.27 0.89 -2.84 1.56 -1.74 -1.26 -4.49 117.46 107.31 1mg3 n PHE 97 Ca -0.01 0.30 -0.43 0.00 -0.56 0.00 0.00 57.45 56.75 1mg3 n PHE 97 Cb 0.46 -0.98 -0.04 0.00 1.52 0.00 0.00 39.48 40.44 1mg3 n PHE 97 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 1mg3 s MET 98 N -3.21 3.21 0.16 3.97 -1.94 0.86 -5.02 119.30 117.34 1mg3 s MET 98 Ca 0.08 -0.97 0.05 0.00 -1.71 0.00 0.00 55.69 53.14 1mg3 s MET 98 Cb 0.11 -4.39 -0.04 0.00 2.01 0.00 0.00 34.83 32.52 1mg3 s MET 98 CO 0.50 -1.84 0.10 1.03 -0.01 0.00 0.00 175.02 174.80 1mg3 s ARG 99 N 3.96 2.79 0.15 2.03 0.52 -1.26 -1.35 118.95 125.78 1mg3 s ARG 99 Ca 0.25 -0.92 -0.12 0.00 -0.52 0.00 0.00 55.73 54.42 1mg3 s ARG 99 Cb -0.14 -2.58 0.01 0.00 0.52 0.00 0.00 34.95 32.76 1mg3 s ARG 99 CO 0.06 0.48 0.34 0.20 0.02 0.00 0.00 175.30 176.41 1mg3 s GLY 100 N -3.05 0.12 0.03 -3.53 0.00 0.18 -4.67 107.32 96.39 1mg3 s GLY 100 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1mg3 s GLY 100 CO 0.22 -0.59 -0.04 1.25 0.00 0.00 0.00 173.10 173.94 1mg3 s LYS 101 N -3.89 0.37 -0.24 2.90 2.20 0.36 -0.84 119.74 120.59 1mg3 s LYS 101 Ca 0.10 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1mg3 s LYS 101 Cb 0.02 0.05 0.08 0.00 -1.51 0.00 0.00 37.83 36.47 1mg3 s LYS 101 CO -0.05 -0.04 0.08 0.08 -0.36 0.00 0.00 175.35 175.05 1mg3 s VAL 102 N -1.63 0.42 -0.42 4.02 1.01 -0.72 -2.00 120.40 121.07 1mg3 s VAL 102 Ca -0.13 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 1mg3 s VAL 102 Cb -0.09 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1mg3 s VAL 102 CO -0.01 -0.44 0.60 -0.69 0.00 0.00 0.00 175.10 174.55 1mg3 s VAL 103 N 1.88 4.89 -0.28 2.92 1.01 0.18 -1.66 120.40 129.35 1mg3 s VAL 103 Ca 0.04 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1mg3 s VAL 103 Cb -0.17 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1mg3 s VAL 103 CO -0.18 -0.52 0.30 -0.69 0.00 0.00 0.00 175.10 174.01 1mg3 s VAL 104 N 2.67 5.23 -0.09 2.92 1.01 0.15 -0.33 120.40 131.96 1mg3 s VAL 104 Ca 0.21 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1mg3 s VAL 104 Cb -0.15 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1mg3 s VAL 104 CO 0.17 0.18 0.52 -0.62 0.00 0.00 0.00 175.10 175.36